USER  MOD reduce.3.24.130724 H: found=0, std=0, add=196, rem=0, adj=5
USER  MOD reduce.3.24.130724 removed 194 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   3 SER OG  :   rot  180:sc=       0
USER  MOD Single : A   5 HIS     :     no HD1:sc=       0  X(o=0,f=-0.064)
USER  MOD Single : A   6 GLN     :FLIP  amide:sc=  -0.207  F(o=-0.87,f=-0.21)
USER  MOD Single : A   9 HIS     :FLIP no HD1:sc=   -3.37! C(o=-4.1!,f=-3.4!)
USER  MOD Single : A  11 LYS NZ  :NH3+    165:sc= -0.0101   (180deg=-0.231)
USER  MOD Single : A  13 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  25 HIS     :FLIP no HE2:sc=   0.162  F(o=-0.94,f=0.16)
USER  MOD Single : A  26 HIS     :     no HD1:sc=  -0.357  X(o=-0.36,f=-0.58)
USER  MOD -----------------------------------------------------------------
ATOM     13  N   VAL A   2     -11.349   9.999   6.590  1.00  0.00           N
ATOM     14  CA  VAL A   2     -11.616   8.533   6.572  1.00  0.00           C
ATOM     15  C   VAL A   2     -10.737   7.841   7.615  1.00  0.00           C
ATOM     16  O   VAL A   2      -9.682   8.327   7.971  1.00  0.00           O
ATOM     17  CB  VAL A   2     -11.296   7.971   5.185  1.00  0.00           C
ATOM     18  CG1 VAL A   2      -9.839   8.273   4.837  1.00  0.00           C
ATOM     19  CG2 VAL A   2     -11.513   6.456   5.189  1.00  0.00           C
ATOM      0  HA  VAL A   2     -12.666   8.354   6.804  1.00  0.00           H   new
ATOM      0  HB  VAL A   2     -11.950   8.432   4.445  1.00  0.00           H   new
ATOM      0 HG11 VAL A   2      -9.610   7.873   3.849  1.00  0.00           H   new
ATOM      0 HG12 VAL A   2      -9.681   9.351   4.837  1.00  0.00           H   new
ATOM      0 HG13 VAL A   2      -9.185   7.810   5.576  1.00  0.00           H   new
ATOM      0 HG21 VAL A   2     -11.286   6.053   4.202  1.00  0.00           H   new
ATOM      0 HG22 VAL A   2     -10.857   5.996   5.928  1.00  0.00           H   new
ATOM      0 HG23 VAL A   2     -12.551   6.238   5.440  1.00  0.00           H   new
ATOM     29  N   SER A   3     -11.160   6.709   8.106  1.00  0.00           N
ATOM     30  CA  SER A   3     -10.344   5.989   9.122  1.00  0.00           C
ATOM     31  C   SER A   3      -9.483   4.934   8.428  1.00  0.00           C
ATOM     32  O   SER A   3      -9.943   4.207   7.571  1.00  0.00           O
ATOM     33  CB  SER A   3     -11.265   5.309  10.135  1.00  0.00           C
ATOM     34  OG  SER A   3     -11.898   4.196   9.519  1.00  0.00           O
ATOM      0  H   SER A   3     -12.035   6.252   7.848  1.00  0.00           H   new
ATOM      0  HA  SER A   3      -9.702   6.701   9.640  1.00  0.00           H   new
ATOM      0  HB2 SER A   3     -10.692   4.982  11.003  1.00  0.00           H   new
ATOM      0  HB3 SER A   3     -12.014   6.015  10.495  1.00  0.00           H   new
ATOM      0  HG  SER A   3     -12.488   3.756  10.166  1.00  0.00           H   new
ATOM     40  N   GLU A   4      -8.233   4.847   8.792  1.00  0.00           N
ATOM     41  CA  GLU A   4      -7.337   3.840   8.155  1.00  0.00           C
ATOM     42  C   GLU A   4      -7.952   2.448   8.286  1.00  0.00           C
ATOM     43  O   GLU A   4      -7.769   1.594   7.440  1.00  0.00           O
ATOM     44  CB  GLU A   4      -5.982   3.852   8.860  1.00  0.00           C
ATOM     45  CG  GLU A   4      -4.999   2.963   8.097  1.00  0.00           C
ATOM     46  CD  GLU A   4      -3.609   3.598   8.125  1.00  0.00           C
ATOM     47  OE1 GLU A   4      -2.997   3.590   9.180  1.00  0.00           O
ATOM     48  OE2 GLU A   4      -3.180   4.086   7.092  1.00  0.00           O
ATOM      0  H   GLU A   4      -7.793   5.430   9.504  1.00  0.00           H   new
ATOM      0  HA  GLU A   4      -7.211   4.087   7.101  1.00  0.00           H   new
ATOM      0  HB2 GLU A   4      -5.599   4.871   8.916  1.00  0.00           H   new
ATOM      0  HB3 GLU A   4      -6.091   3.496   9.884  1.00  0.00           H   new
ATOM      0  HG2 GLU A   4      -4.966   1.970   8.546  1.00  0.00           H   new
ATOM      0  HG3 GLU A   4      -5.332   2.836   7.067  1.00  0.00           H   new
ATOM     55  N   HIS A   5      -8.670   2.209   9.348  1.00  0.00           N
ATOM     56  CA  HIS A   5      -9.282   0.872   9.549  1.00  0.00           C
ATOM     57  C   HIS A   5     -10.201   0.517   8.377  1.00  0.00           C
ATOM     58  O   HIS A   5     -10.631  -0.611   8.238  1.00  0.00           O
ATOM     59  CB  HIS A   5     -10.080   0.866  10.844  1.00  0.00           C
ATOM     60  CG  HIS A   5      -9.450  -0.090  11.815  1.00  0.00           C
ATOM     61  ND1 HIS A   5      -9.396  -1.455  11.585  1.00  0.00           N
ATOM     62  CD2 HIS A   5      -8.834   0.112  13.025  1.00  0.00           C
ATOM     63  CE1 HIS A   5      -8.766  -2.018  12.632  1.00  0.00           C
ATOM     64  NE2 HIS A   5      -8.402  -1.108  13.539  1.00  0.00           N
ATOM      0  H   HIS A   5      -8.858   2.887  10.087  1.00  0.00           H   new
ATOM      0  HA  HIS A   5      -8.486   0.129   9.604  1.00  0.00           H   new
ATOM      0  HB2 HIS A   5     -10.109   1.869  11.271  1.00  0.00           H   new
ATOM      0  HB3 HIS A   5     -11.111   0.574  10.647  1.00  0.00           H   new
ATOM      0  HD2 HIS A   5      -8.704   1.071  13.505  1.00  0.00           H   new
ATOM      0  HE1 HIS A   5      -8.578  -3.077  12.727  1.00  0.00           H   new
ATOM      0  HE2 HIS A   5      -7.913  -1.271  14.419  1.00  0.00           H   new
ATOM     72  N   GLN A   6     -10.509   1.462   7.529  1.00  0.00           N
ATOM     73  CA  GLN A   6     -11.395   1.170   6.374  1.00  0.00           C
ATOM     74  C   GLN A   6     -10.574   0.639   5.203  1.00  0.00           C
ATOM     75  O   GLN A   6     -10.883   0.857   4.048  1.00  0.00           O
ATOM     76  CB  GLN A   6     -12.093   2.439   5.950  1.00  0.00           C
ATOM     77  CG  GLN A   6     -13.504   2.480   6.541  1.00  0.00           C
ATOM     78  CD  GLN A   6     -14.537   2.477   5.412  1.00  0.00           C
ATOM     79  OE1 GLN A   6     -14.303   3.162   4.327  1.00  0.00           O   flip
ATOM     80  NE2 GLN A   6     -15.569   1.845   5.521  1.00  0.00           N   flip
ATOM      0  H   GLN A   6     -10.182   2.426   7.590  1.00  0.00           H   new
ATOM      0  HA  GLN A   6     -12.128   0.419   6.669  1.00  0.00           H   new
ATOM      0  HB2 GLN A   6     -11.524   3.306   6.284  1.00  0.00           H   new
ATOM      0  HB3 GLN A   6     -12.143   2.491   4.862  1.00  0.00           H   new
ATOM      0  HG2 GLN A   6     -13.661   1.620   7.193  1.00  0.00           H   new
ATOM      0  HG3 GLN A   6     -13.625   3.372   7.156  1.00  0.00           H   new
ATOM      0 HE21 GLN A   6     -15.752   1.309   6.370  1.00  0.00           H   new
ATOM      0 HE22 GLN A   6     -16.253   1.850   4.764  1.00  0.00           H   new
ATOM     89  N   LEU A   7      -9.543  -0.063   5.512  1.00  0.00           N
ATOM     90  CA  LEU A   7      -8.668  -0.648   4.473  1.00  0.00           C
ATOM     91  C   LEU A   7      -8.677  -2.163   4.643  1.00  0.00           C
ATOM     92  O   LEU A   7      -9.251  -2.879   3.846  1.00  0.00           O
ATOM     93  CB  LEU A   7      -7.244  -0.114   4.636  1.00  0.00           C
ATOM     94  CG  LEU A   7      -6.966   0.939   3.565  1.00  0.00           C
ATOM     95  CD1 LEU A   7      -5.851   1.871   4.043  1.00  0.00           C
ATOM     96  CD2 LEU A   7      -6.531   0.246   2.272  1.00  0.00           C
ATOM      0  H   LEU A   7      -9.256  -0.266   6.470  1.00  0.00           H   new
ATOM      0  HA  LEU A   7      -9.028  -0.379   3.480  1.00  0.00           H   new
ATOM      0  HB2 LEU A   7      -7.119   0.320   5.628  1.00  0.00           H   new
ATOM      0  HB3 LEU A   7      -6.527  -0.931   4.552  1.00  0.00           H   new
ATOM      0  HG  LEU A   7      -7.870   1.519   3.382  1.00  0.00           H   new
ATOM      0 HD11 LEU A   7      -5.652   2.623   3.279  1.00  0.00           H   new
ATOM      0 HD12 LEU A   7      -6.159   2.364   4.965  1.00  0.00           H   new
ATOM      0 HD13 LEU A   7      -4.946   1.292   4.226  1.00  0.00           H   new
ATOM      0 HD21 LEU A   7      -6.332   0.996   1.506  1.00  0.00           H   new
ATOM      0 HD22 LEU A   7      -5.626  -0.333   2.456  1.00  0.00           H   new
ATOM      0 HD23 LEU A   7      -7.324  -0.419   1.931  1.00  0.00           H   new
ATOM    108  N   LEU A   8      -8.081  -2.661   5.691  1.00  0.00           N
ATOM    109  CA  LEU A   8      -8.096  -4.101   5.924  1.00  0.00           C
ATOM    110  C   LEU A   8      -9.558  -4.534   5.961  1.00  0.00           C
ATOM    111  O   LEU A   8      -9.952  -5.522   5.375  1.00  0.00           O
ATOM    112  CB  LEU A   8      -7.403  -4.317   7.252  1.00  0.00           C
ATOM    113  CG  LEU A   8      -7.921  -5.555   7.960  1.00  0.00           C
ATOM    114  CD1 LEU A   8      -9.256  -5.250   8.642  1.00  0.00           C
ATOM    115  CD2 LEU A   8      -8.096  -6.703   6.962  1.00  0.00           C
ATOM      0  H   LEU A   8      -7.584  -2.113   6.393  1.00  0.00           H   new
ATOM      0  HA  LEU A   8      -7.588  -4.682   5.155  1.00  0.00           H   new
ATOM      0  HB2 LEU A   8      -6.329  -4.412   7.091  1.00  0.00           H   new
ATOM      0  HB3 LEU A   8      -7.554  -3.444   7.887  1.00  0.00           H   new
ATOM      0  HG  LEU A   8      -7.195  -5.854   8.716  1.00  0.00           H   new
ATOM      0 HD11 LEU A   8      -9.619  -6.145   9.147  1.00  0.00           H   new
ATOM      0 HD12 LEU A   8      -9.118  -4.452   9.372  1.00  0.00           H   new
ATOM      0 HD13 LEU A   8      -9.983  -4.935   7.894  1.00  0.00           H   new
ATOM      0 HD21 LEU A   8      -8.468  -7.585   7.483  1.00  0.00           H   new
ATOM      0 HD22 LEU A   8      -8.809  -6.410   6.191  1.00  0.00           H   new
ATOM      0 HD23 LEU A   8      -7.136  -6.933   6.500  1.00  0.00           H   new
ATOM    127  N   HIS A   9     -10.366  -3.760   6.631  1.00  0.00           N
ATOM    128  CA  HIS A   9     -11.808  -4.048   6.714  1.00  0.00           C
ATOM    129  C   HIS A   9     -12.335  -4.442   5.334  1.00  0.00           C
ATOM    130  O   HIS A   9     -12.627  -5.591   5.070  1.00  0.00           O
ATOM    131  CB  HIS A   9     -12.492  -2.769   7.232  1.00  0.00           C
ATOM    132  CG  HIS A   9     -13.802  -2.558   6.562  1.00  0.00           C
ATOM    133  ND1 HIS A   9     -14.766  -3.447   6.278  1.00  0.00           N   flip
ATOM    134  CD2 HIS A   9     -14.248  -1.332   6.101  1.00  0.00           C   flip
ATOM    135  CE1 HIS A   9     -15.831  -2.817   5.640  1.00  0.00           C   flip
ATOM    136  NE2 HIS A   9     -15.464  -1.533   5.557  1.00  0.00           N   flip
ATOM      0  H   HIS A   9     -10.071  -2.922   7.133  1.00  0.00           H   new
ATOM      0  HA  HIS A   9     -12.014  -4.880   7.388  1.00  0.00           H   new
ATOM      0  HB2 HIS A   9     -12.638  -2.841   8.310  1.00  0.00           H   new
ATOM      0  HB3 HIS A   9     -11.846  -1.909   7.055  1.00  0.00           H   new
ATOM      0  HD2 HIS A   9     -13.721  -0.392   6.165  1.00  0.00           H   new
ATOM      0  HE1 HIS A   9     -16.749  -3.265   5.290  1.00  0.00           H   new
ATOM      0  HE2 HIS A   9     -16.033  -0.799   5.135  1.00  0.00           H   new
ATOM    144  N   ASP A  10     -12.479  -3.491   4.466  1.00  0.00           N
ATOM    145  CA  ASP A  10     -13.008  -3.781   3.119  1.00  0.00           C
ATOM    146  C   ASP A  10     -12.052  -4.711   2.367  1.00  0.00           C
ATOM    147  O   ASP A  10     -12.405  -5.291   1.359  1.00  0.00           O
ATOM    148  CB  ASP A  10     -13.156  -2.464   2.379  1.00  0.00           C
ATOM    149  CG  ASP A  10     -14.137  -2.634   1.218  1.00  0.00           C
ATOM    150  OD1 ASP A  10     -15.323  -2.453   1.439  1.00  0.00           O
ATOM    151  OD2 ASP A  10     -13.685  -2.946   0.128  1.00  0.00           O
ATOM      0  H   ASP A  10     -12.249  -2.512   4.637  1.00  0.00           H   new
ATOM      0  HA  ASP A  10     -13.975  -4.280   3.191  1.00  0.00           H   new
ATOM      0  HB2 ASP A  10     -13.513  -1.691   3.060  1.00  0.00           H   new
ATOM      0  HB3 ASP A  10     -12.187  -2.135   2.004  1.00  0.00           H   new
ATOM    156  N   LYS A  11     -10.851  -4.866   2.859  1.00  0.00           N
ATOM    157  CA  LYS A  11      -9.865  -5.763   2.191  1.00  0.00           C
ATOM    158  C   LYS A  11      -9.983  -5.647   0.669  1.00  0.00           C
ATOM    159  O   LYS A  11      -9.690  -6.576  -0.058  1.00  0.00           O
ATOM    160  CB  LYS A  11     -10.138  -7.197   2.626  1.00  0.00           C
ATOM    161  CG  LYS A  11      -8.824  -7.865   3.033  1.00  0.00           C
ATOM    162  CD  LYS A  11      -7.863  -7.866   1.843  1.00  0.00           C
ATOM    163  CE  LYS A  11      -6.526  -8.475   2.267  1.00  0.00           C
ATOM    164  NZ  LYS A  11      -6.700  -9.936   2.506  1.00  0.00           N
ATOM      0  H   LYS A  11     -10.509  -4.405   3.702  1.00  0.00           H   new
ATOM      0  HA  LYS A  11      -8.854  -5.472   2.478  1.00  0.00           H   new
ATOM      0  HB2 LYS A  11     -10.838  -7.208   3.461  1.00  0.00           H   new
ATOM      0  HB3 LYS A  11     -10.604  -7.753   1.812  1.00  0.00           H   new
ATOM      0  HG2 LYS A  11      -8.378  -7.333   3.874  1.00  0.00           H   new
ATOM      0  HG3 LYS A  11      -9.010  -8.886   3.365  1.00  0.00           H   new
ATOM      0  HD2 LYS A  11      -8.289  -8.437   1.018  1.00  0.00           H   new
ATOM      0  HD3 LYS A  11      -7.713  -6.848   1.482  1.00  0.00           H   new
ATOM      0  HE2 LYS A  11      -5.777  -8.309   1.493  1.00  0.00           H   new
ATOM      0  HE3 LYS A  11      -6.163  -7.988   3.172  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  11      -5.768 -10.395   2.543  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  11      -7.195 -10.084   3.409  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  11      -7.259 -10.350   1.733  1.00  0.00           H   new
ATOM    178  N   GLY A  12     -10.403  -4.512   0.181  1.00  0.00           N
ATOM    179  CA  GLY A  12     -10.533  -4.331  -1.294  1.00  0.00           C
ATOM    180  C   GLY A  12     -10.152  -2.894  -1.662  1.00  0.00           C
ATOM    181  O   GLY A  12     -10.372  -2.445  -2.769  1.00  0.00           O
ATOM      0  H   GLY A  12     -10.663  -3.700   0.741  1.00  0.00           H   new
ATOM      0  HA2 GLY A  12      -9.887  -5.036  -1.817  1.00  0.00           H   new
ATOM      0  HA3 GLY A  12     -11.555  -4.541  -1.609  1.00  0.00           H   new
ATOM    185  N   LYS A  13      -9.584  -2.171  -0.736  1.00  0.00           N
ATOM    186  CA  LYS A  13      -9.187  -0.772  -1.006  1.00  0.00           C
ATOM    187  C   LYS A  13      -7.707  -0.695  -1.258  1.00  0.00           C
ATOM    188  O   LYS A  13      -7.100  -1.629  -1.735  1.00  0.00           O
ATOM    189  CB  LYS A  13      -9.566   0.094   0.181  1.00  0.00           C
ATOM    190  CG  LYS A  13     -10.979  -0.278   0.633  1.00  0.00           C
ATOM    191  CD  LYS A  13     -11.966   0.062  -0.485  1.00  0.00           C
ATOM    192  CE  LYS A  13     -13.317   0.443   0.123  1.00  0.00           C
ATOM    193  NZ  LYS A  13     -13.488   1.922   0.068  1.00  0.00           N
ATOM      0  H   LYS A  13      -9.378  -2.500   0.207  1.00  0.00           H   new
ATOM      0  HA  LYS A  13      -9.706  -0.411  -1.894  1.00  0.00           H   new
ATOM      0  HB2 LYS A  13      -8.858  -0.053   0.997  1.00  0.00           H   new
ATOM      0  HB3 LYS A  13      -9.523   1.148  -0.092  1.00  0.00           H   new
ATOM      0  HG2 LYS A  13     -11.031  -1.341   0.870  1.00  0.00           H   new
ATOM      0  HG3 LYS A  13     -11.238   0.265   1.542  1.00  0.00           H   new
ATOM      0  HD2 LYS A  13     -11.581   0.886  -1.086  1.00  0.00           H   new
ATOM      0  HD3 LYS A  13     -12.084  -0.792  -1.152  1.00  0.00           H   new
ATOM      0  HE2 LYS A  13     -14.124  -0.047  -0.421  1.00  0.00           H   new
ATOM      0  HE3 LYS A  13     -13.373   0.098   1.155  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  13     -14.407   2.181   0.481  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  13     -12.725   2.380   0.606  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  13     -13.452   2.239  -0.922  1.00  0.00           H   new
ATOM    254  N   ASP A  17      -3.364  -2.167  -3.228  1.00  0.00           N
ATOM    255  CA  ASP A  17      -2.609  -1.042  -3.814  1.00  0.00           C
ATOM    256  C   ASP A  17      -1.544  -0.616  -2.806  1.00  0.00           C
ATOM    257  O   ASP A  17      -0.420  -0.335  -3.173  1.00  0.00           O
ATOM    258  CB  ASP A  17      -3.565   0.118  -4.109  1.00  0.00           C
ATOM    259  CG  ASP A  17      -3.560   0.419  -5.608  1.00  0.00           C
ATOM    260  OD1 ASP A  17      -3.623  -0.523  -6.381  1.00  0.00           O
ATOM    261  OD2 ASP A  17      -3.496   1.585  -5.959  1.00  0.00           O
ATOM      0  HA  ASP A  17      -2.135  -1.339  -4.750  1.00  0.00           H   new
ATOM      0  HB2 ASP A  17      -4.573  -0.137  -3.782  1.00  0.00           H   new
ATOM      0  HB3 ASP A  17      -3.263   1.003  -3.549  1.00  0.00           H   new
ATOM    266  N   LEU A  18      -1.858  -0.617  -1.526  1.00  0.00           N
ATOM    267  CA  LEU A  18      -0.807  -0.268  -0.528  1.00  0.00           C
ATOM    268  C   LEU A  18       0.398  -1.123  -0.885  1.00  0.00           C
ATOM    269  O   LEU A  18       1.538  -0.758  -0.692  1.00  0.00           O
ATOM    270  CB  LEU A  18      -1.287  -0.612   0.885  1.00  0.00           C
ATOM    271  CG  LEU A  18      -1.237   0.634   1.769  1.00  0.00           C
ATOM    272  CD1 LEU A  18       0.219   0.994   2.063  1.00  0.00           C
ATOM    273  CD2 LEU A  18      -1.917   1.800   1.049  1.00  0.00           C
ATOM      0  H   LEU A  18      -2.777  -0.840  -1.143  1.00  0.00           H   new
ATOM      0  HA  LEU A  18      -0.572   0.796  -0.547  1.00  0.00           H   new
ATOM      0  HB2 LEU A  18      -2.304  -1.002   0.848  1.00  0.00           H   new
ATOM      0  HB3 LEU A  18      -0.661  -1.396   1.311  1.00  0.00           H   new
ATOM      0  HG  LEU A  18      -1.757   0.434   2.706  1.00  0.00           H   new
ATOM      0 HD11 LEU A  18       0.254   1.883   2.693  1.00  0.00           H   new
ATOM      0 HD12 LEU A  18       0.702   0.164   2.579  1.00  0.00           H   new
ATOM      0 HD13 LEU A  18       0.741   1.193   1.127  1.00  0.00           H   new
ATOM      0 HD21 LEU A  18      -1.881   2.688   1.680  1.00  0.00           H   new
ATOM      0 HD22 LEU A  18      -1.399   2.000   0.111  1.00  0.00           H   new
ATOM      0 HD23 LEU A  18      -2.956   1.544   0.842  1.00  0.00           H   new
ATOM    285  N   ARG A  19       0.113  -2.259  -1.458  1.00  0.00           N
ATOM    286  CA  ARG A  19       1.163  -3.187  -1.912  1.00  0.00           C
ATOM    287  C   ARG A  19       1.871  -2.543  -3.099  1.00  0.00           C
ATOM    288  O   ARG A  19       3.060  -2.306  -3.072  1.00  0.00           O
ATOM    289  CB  ARG A  19       0.459  -4.480  -2.336  1.00  0.00           C
ATOM    290  CG  ARG A  19       1.236  -5.192  -3.443  1.00  0.00           C
ATOM    291  CD  ARG A  19       0.428  -6.394  -3.938  1.00  0.00           C
ATOM    292  NE  ARG A  19      -0.458  -6.891  -2.847  1.00  0.00           N
ATOM    293  CZ  ARG A  19      -0.139  -7.968  -2.183  1.00  0.00           C
ATOM    294  NH1 ARG A  19       0.163  -9.064  -2.823  1.00  0.00           N
ATOM    295  NH2 ARG A  19      -0.119  -7.946  -0.878  1.00  0.00           N
ATOM      0  H   ARG A  19      -0.838  -2.584  -1.632  1.00  0.00           H   new
ATOM      0  HA  ARG A  19       1.898  -3.403  -1.137  1.00  0.00           H   new
ATOM      0  HB2 ARG A  19       0.357  -5.141  -1.476  1.00  0.00           H   new
ATOM      0  HB3 ARG A  19      -0.549  -4.252  -2.684  1.00  0.00           H   new
ATOM      0  HG2 ARG A  19       1.429  -4.505  -4.267  1.00  0.00           H   new
ATOM      0  HG3 ARG A  19       2.205  -5.521  -3.069  1.00  0.00           H   new
ATOM      0  HD2 ARG A  19      -0.170  -6.110  -4.804  1.00  0.00           H   new
ATOM      0  HD3 ARG A  19       1.101  -7.188  -4.262  1.00  0.00           H   new
ATOM      0  HE  ARG A  19      -1.316  -6.388  -2.619  1.00  0.00           H   new
ATOM      0 HH11 ARG A  19       0.150  -9.079  -3.843  1.00  0.00           H   new
ATOM      0 HH12 ARG A  19       0.412  -9.906  -2.304  1.00  0.00           H   new
ATOM      0 HH21 ARG A  19      -0.353  -7.088  -0.379  1.00  0.00           H   new
ATOM      0 HH22 ARG A  19       0.130  -8.787  -0.358  1.00  0.00           H   new
ATOM    309  N   ARG A  20       1.139  -2.246  -4.135  1.00  0.00           N
ATOM    310  CA  ARG A  20       1.758  -1.603  -5.318  1.00  0.00           C
ATOM    311  C   ARG A  20       2.370  -0.278  -4.874  1.00  0.00           C
ATOM    312  O   ARG A  20       3.247   0.267  -5.510  1.00  0.00           O
ATOM    313  CB  ARG A  20       0.693  -1.399  -6.393  1.00  0.00           C
ATOM    314  CG  ARG A  20      -0.118  -0.133  -6.120  1.00  0.00           C
ATOM    315  CD  ARG A  20      -1.005   0.159  -7.332  1.00  0.00           C
ATOM    316  NE  ARG A  20      -0.178   0.747  -8.422  1.00  0.00           N
ATOM    317  CZ  ARG A  20      -0.590   0.686  -9.658  1.00  0.00           C
ATOM    318  NH1 ARG A  20      -0.383  -0.392 -10.362  1.00  0.00           N
ATOM    319  NH2 ARG A  20      -1.210   1.704 -10.190  1.00  0.00           N
ATOM      0  H   ARG A  20       0.137  -2.422  -4.210  1.00  0.00           H   new
ATOM      0  HA  ARG A  20       2.544  -2.228  -5.742  1.00  0.00           H   new
ATOM      0  HB2 ARG A  20       1.167  -1.329  -7.372  1.00  0.00           H   new
ATOM      0  HB3 ARG A  20       0.029  -2.263  -6.422  1.00  0.00           H   new
ATOM      0  HG2 ARG A  20      -0.730  -0.263  -5.228  1.00  0.00           H   new
ATOM      0  HG3 ARG A  20       0.549   0.708  -5.930  1.00  0.00           H   new
ATOM      0  HD2 ARG A  20      -1.481  -0.759  -7.677  1.00  0.00           H   new
ATOM      0  HD3 ARG A  20      -1.803   0.848  -7.055  1.00  0.00           H   new
ATOM      0  HE  ARG A  20       0.710   1.197  -8.202  1.00  0.00           H   new
ATOM      0 HH11 ARG A  20       0.101  -1.188  -9.946  1.00  0.00           H   new
ATOM      0 HH12 ARG A  20      -0.705  -0.440 -11.329  1.00  0.00           H   new
ATOM      0 HH21 ARG A  20      -1.372   2.547  -9.639  1.00  0.00           H   new
ATOM      0 HH22 ARG A  20      -1.532   1.657 -11.157  1.00  0.00           H   new
ATOM    333  N   ARG A  21       1.950   0.218  -3.748  1.00  0.00           N
ATOM    334  CA  ARG A  21       2.558   1.464  -3.232  1.00  0.00           C
ATOM    335  C   ARG A  21       3.961   1.080  -2.798  1.00  0.00           C
ATOM    336  O   ARG A  21       4.901   1.843  -2.898  1.00  0.00           O
ATOM    337  CB  ARG A  21       1.733   1.981  -2.047  1.00  0.00           C
ATOM    338  CG  ARG A  21       0.834   3.130  -2.506  1.00  0.00           C
ATOM    339  CD  ARG A  21      -0.367   3.236  -1.565  1.00  0.00           C
ATOM    340  NE  ARG A  21      -1.508   2.466  -2.133  1.00  0.00           N
ATOM    341  CZ  ARG A  21      -2.319   3.037  -2.981  1.00  0.00           C
ATOM    342  NH1 ARG A  21      -3.271   3.819  -2.551  1.00  0.00           N
ATOM    343  NH2 ARG A  21      -2.176   2.828  -4.262  1.00  0.00           N
ATOM      0  H   ARG A  21       1.215  -0.185  -3.167  1.00  0.00           H   new
ATOM      0  HA  ARG A  21       2.584   2.259  -3.977  1.00  0.00           H   new
ATOM      0  HB2 ARG A  21       1.127   1.175  -1.635  1.00  0.00           H   new
ATOM      0  HB3 ARG A  21       2.396   2.321  -1.251  1.00  0.00           H   new
ATOM      0  HG2 ARG A  21       1.393   4.066  -2.509  1.00  0.00           H   new
ATOM      0  HG3 ARG A  21       0.496   2.957  -3.528  1.00  0.00           H   new
ATOM      0  HD2 ARG A  21      -0.107   2.849  -0.580  1.00  0.00           H   new
ATOM      0  HD3 ARG A  21      -0.649   4.281  -1.433  1.00  0.00           H   new
ATOM      0  HE  ARG A  21      -1.655   1.494  -1.860  1.00  0.00           H   new
ATOM      0 HH11 ARG A  21      -3.382   3.985  -1.551  1.00  0.00           H   new
ATOM      0 HH12 ARG A  21      -3.904   4.265  -3.215  1.00  0.00           H   new
ATOM      0 HH21 ARG A  21      -1.431   2.219  -4.599  1.00  0.00           H   new
ATOM      0 HH22 ARG A  21      -2.810   3.274  -4.925  1.00  0.00           H   new
ATOM    357  N   PHE A  22       4.102  -0.139  -2.363  1.00  0.00           N
ATOM    358  CA  PHE A  22       5.431  -0.652  -1.966  1.00  0.00           C
ATOM    359  C   PHE A  22       6.032  -1.400  -3.151  1.00  0.00           C
ATOM    360  O   PHE A  22       7.220  -1.616  -3.213  1.00  0.00           O
ATOM    361  CB  PHE A  22       5.270  -1.597  -0.801  1.00  0.00           C
ATOM    362  CG  PHE A  22       4.576  -0.852   0.268  1.00  0.00           C
ATOM    363  CD1 PHE A  22       5.027   0.420   0.609  1.00  0.00           C
ATOM    364  CD2 PHE A  22       3.455  -1.403   0.882  1.00  0.00           C
ATOM    365  CE1 PHE A  22       4.358   1.146   1.578  1.00  0.00           C
ATOM    366  CE2 PHE A  22       2.779  -0.673   1.845  1.00  0.00           C
ATOM    367  CZ  PHE A  22       3.233   0.600   2.190  1.00  0.00           C
ATOM      0  H   PHE A  22       3.338  -0.808  -2.266  1.00  0.00           H   new
ATOM      0  HA  PHE A  22       6.084   0.171  -1.674  1.00  0.00           H   new
ATOM      0  HB2 PHE A  22       4.695  -2.476  -1.094  1.00  0.00           H   new
ATOM      0  HB3 PHE A  22       6.241  -1.952  -0.456  1.00  0.00           H   new
ATOM      0  HD1 PHE A  22       5.894   0.838   0.120  1.00  0.00           H   new
ATOM      0  HD2 PHE A  22       3.115  -2.391   0.610  1.00  0.00           H   new
ATOM      0  HE1 PHE A  22       4.706   2.129   1.858  1.00  0.00           H   new
ATOM      0  HE2 PHE A  22       1.905  -1.087   2.326  1.00  0.00           H   new
ATOM      0  HZ  PHE A  22       2.705   1.169   2.941  1.00  0.00           H   new
ATOM    377  N   PHE A  23       5.185  -1.809  -4.080  1.00  0.00           N
ATOM    378  CA  PHE A  23       5.643  -2.577  -5.295  1.00  0.00           C
ATOM    379  C   PHE A  23       7.127  -2.334  -5.546  1.00  0.00           C
ATOM    380  O   PHE A  23       7.972  -3.137  -5.205  1.00  0.00           O
ATOM    381  CB  PHE A  23       4.887  -2.111  -6.545  1.00  0.00           C
ATOM    382  CG  PHE A  23       4.080  -3.216  -7.148  1.00  0.00           C
ATOM    383  CD1 PHE A  23       4.431  -4.558  -6.971  1.00  0.00           C
ATOM    384  CD2 PHE A  23       2.957  -2.874  -7.897  1.00  0.00           C
ATOM    385  CE1 PHE A  23       3.646  -5.551  -7.543  1.00  0.00           C
ATOM    386  CE2 PHE A  23       2.177  -3.864  -8.469  1.00  0.00           C
ATOM    387  CZ  PHE A  23       2.521  -5.198  -8.289  1.00  0.00           C
ATOM      0  H   PHE A  23       4.180  -1.639  -4.046  1.00  0.00           H   new
ATOM      0  HA  PHE A  23       5.451  -3.633  -5.106  1.00  0.00           H   new
ATOM      0  HB2 PHE A  23       4.230  -1.281  -6.285  1.00  0.00           H   new
ATOM      0  HB3 PHE A  23       5.598  -1.736  -7.281  1.00  0.00           H   new
ATOM      0  HD1 PHE A  23       5.306  -4.820  -6.394  1.00  0.00           H   new
ATOM      0  HD2 PHE A  23       2.694  -1.835  -8.032  1.00  0.00           H   new
ATOM      0  HE1 PHE A  23       3.905  -6.591  -7.411  1.00  0.00           H   new
ATOM      0  HE2 PHE A  23       1.306  -3.601  -9.052  1.00  0.00           H   new
ATOM      0  HZ  PHE A  23       1.910  -5.971  -8.732  1.00  0.00           H   new
ATOM    397  N   LEU A  24       7.443  -1.215  -6.140  1.00  0.00           N
ATOM    398  CA  LEU A  24       8.866  -0.894  -6.415  1.00  0.00           C
ATOM    399  C   LEU A  24       9.582  -0.650  -5.091  1.00  0.00           C
ATOM    400  O   LEU A  24      10.750  -0.952  -4.945  1.00  0.00           O
ATOM    401  CB  LEU A  24       8.954   0.361  -7.287  1.00  0.00           C
ATOM    402  CG  LEU A  24       9.172  -0.046  -8.744  1.00  0.00           C
ATOM    403  CD1 LEU A  24       8.140  -1.102  -9.140  1.00  0.00           C
ATOM    404  CD2 LEU A  24       9.017   1.182  -9.646  1.00  0.00           C
ATOM      0  H   LEU A  24       6.773  -0.510  -6.446  1.00  0.00           H   new
ATOM      0  HA  LEU A  24       9.336  -1.725  -6.941  1.00  0.00           H   new
ATOM      0  HB2 LEU A  24       8.039   0.946  -7.195  1.00  0.00           H   new
ATOM      0  HB3 LEU A  24       9.773   0.995  -6.949  1.00  0.00           H   new
ATOM      0  HG  LEU A  24      10.175  -0.458  -8.859  1.00  0.00           H   new
ATOM      0 HD11 LEU A  24       8.296  -1.392 -10.179  1.00  0.00           H   new
ATOM      0 HD12 LEU A  24       8.250  -1.977  -8.499  1.00  0.00           H   new
ATOM      0 HD13 LEU A  24       7.137  -0.692  -9.025  1.00  0.00           H   new
ATOM      0 HD21 LEU A  24       9.172   0.892 -10.685  1.00  0.00           H   new
ATOM      0 HD22 LEU A  24       8.015   1.594  -9.530  1.00  0.00           H   new
ATOM      0 HD23 LEU A  24       9.754   1.935  -9.365  1.00  0.00           H   new
ATOM    416  N   HIS A  25       8.899  -0.114  -4.114  1.00  0.00           N
ATOM    417  CA  HIS A  25       9.577   0.127  -2.811  1.00  0.00           C
ATOM    418  C   HIS A  25      10.130  -1.199  -2.282  1.00  0.00           C
ATOM    419  O   HIS A  25      11.226  -1.260  -1.761  1.00  0.00           O
ATOM    420  CB  HIS A  25       8.583   0.710  -1.804  1.00  0.00           C
ATOM    421  CG  HIS A  25       9.344   1.369  -0.687  1.00  0.00           C
ATOM    422  ND1 HIS A  25      10.642   1.235  -0.260  1.00  0.00           N   flip
ATOM    423  CD2 HIS A  25       8.766   2.309   0.150  1.00  0.00           C   flip
ATOM    424  CE1 HIS A  25      10.868   2.077   0.824  1.00  0.00           C   flip
ATOM    425  NE2 HIS A  25       9.706   2.701   1.030  1.00  0.00           N   flip
ATOM      0  H   HIS A  25       7.918   0.162  -4.161  1.00  0.00           H   new
ATOM      0  HA  HIS A  25      10.393   0.836  -2.952  1.00  0.00           H   new
ATOM      0  HB2 HIS A  25       7.932   1.434  -2.294  1.00  0.00           H   new
ATOM      0  HB3 HIS A  25       7.942  -0.078  -1.409  1.00  0.00           H   new
ATOM      0  HD1 HIS A  25      11.335   0.612  -0.675  1.00  0.00           H   new
ATOM      0  HD2 HIS A  25       7.747   2.663   0.105  1.00  0.00           H   new
ATOM      0  HE1 HIS A  25      11.786   2.200   1.379  1.00  0.00           H   new
ATOM    433  N   HIS A  26       9.382  -2.262  -2.413  1.00  0.00           N
ATOM    434  CA  HIS A  26       9.859  -3.573  -1.924  1.00  0.00           C
ATOM    435  C   HIS A  26      10.787  -4.211  -2.955  1.00  0.00           C
ATOM    436  O   HIS A  26      11.874  -4.652  -2.639  1.00  0.00           O
ATOM    437  CB  HIS A  26       8.675  -4.491  -1.690  1.00  0.00           C
ATOM    438  CG  HIS A  26       8.931  -5.273  -0.442  1.00  0.00           C
ATOM    439  ND1 HIS A  26       9.443  -4.677   0.695  1.00  0.00           N
ATOM    440  CD2 HIS A  26       8.789  -6.600  -0.144  1.00  0.00           C
ATOM    441  CE1 HIS A  26       9.594  -5.635   1.618  1.00  0.00           C
ATOM    442  NE2 HIS A  26       9.209  -6.832   1.162  1.00  0.00           N
ATOM      0  H   HIS A  26       8.456  -2.271  -2.841  1.00  0.00           H   new
ATOM      0  HA  HIS A  26      10.402  -3.424  -0.991  1.00  0.00           H   new
ATOM      0  HB2 HIS A  26       7.757  -3.911  -1.594  1.00  0.00           H   new
ATOM      0  HB3 HIS A  26       8.541  -5.162  -2.538  1.00  0.00           H   new
ATOM      0  HD2 HIS A  26       8.409  -7.353  -0.819  1.00  0.00           H   new
ATOM      0  HE1 HIS A  26       9.980  -5.462   2.612  1.00  0.00           H   new
ATOM      0  HE2 HIS A  26       9.221  -7.721   1.662  1.00  0.00           H   new