USER  MOD reduce.3.24.130724 H: found=0, std=0, add=342, rem=0, adj=9
USER  MOD reduce.3.24.130724 removed 343 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD Set 1.1: A  15 ASN     :      amide:sc= -0.0869  X(o=-0.087,f=-0.27)
USER  MOD Set 1.2: A  26 TYR OH  :   rot   30:sc=       0
USER  MOD Single : A  17 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  20 ASN     :      amide:sc=  -0.152  X(o=-0.15,f=-0.15)
USER  MOD Single : A  21 ASN     :      amide:sc=   -0.13  K(o=-0.13,f=-1.4)
USER  MOD Single : A  23 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  24 TYR OH  :   rot -177:sc=  -0.165
USER  MOD Single : A  25 CYS SG  :   rot   18:sc=   0.892
USER  MOD Single : A  31 THR OG1 :   rot -170:sc=  -0.365
USER  MOD Single : A  33 LYS NZ  :NH3+   -162:sc= -0.0156   (180deg=-0.569)
USER  MOD Single : A  46 THR OG1 :   rot   89:sc=  0.0292
USER  MOD Single : A  50 GLN     :      amide:sc=  -0.058  X(o=-0.058,f=0)
USER  MOD Single : A  52 ASN     :FLIP  amide:sc=  -0.971  F(o=-1.7,f=-0.97)
USER  MOD -----------------------------------------------------------------
ATOM     13  N   LEU A  12       4.474   3.044   9.228  1.00  0.00           N
ATOM     14  CA  LEU A  12       3.850   3.327   7.904  1.00  0.00           C
ATOM     15  C   LEU A  12       2.397   2.824   7.898  1.00  0.00           C
ATOM     16  O   LEU A  12       2.082   1.853   8.558  1.00  0.00           O
ATOM     17  CB  LEU A  12       4.621   2.569   6.815  1.00  0.00           C
ATOM     18  CG  LEU A  12       6.124   2.847   6.918  1.00  0.00           C
ATOM     19  CD1 LEU A  12       6.856   1.983   5.885  1.00  0.00           C
ATOM     20  CD2 LEU A  12       6.403   4.332   6.639  1.00  0.00           C
ATOM      0  HA  LEU A  12       3.875   4.401   7.719  1.00  0.00           H   new
ATOM      0  HB2 LEU A  12       4.437   1.499   6.911  1.00  0.00           H   new
ATOM      0  HB3 LEU A  12       4.258   2.868   5.832  1.00  0.00           H   new
ATOM      0  HG  LEU A  12       6.474   2.606   7.922  1.00  0.00           H   new
ATOM      0 HD11 LEU A  12       7.928   2.171   5.947  1.00  0.00           H   new
ATOM      0 HD12 LEU A  12       6.660   0.930   6.087  1.00  0.00           H   new
ATOM      0 HD13 LEU A  12       6.501   2.233   4.885  1.00  0.00           H   new
ATOM      0 HD21 LEU A  12       7.474   4.521   6.714  1.00  0.00           H   new
ATOM      0 HD22 LEU A  12       6.059   4.585   5.636  1.00  0.00           H   new
ATOM      0 HD23 LEU A  12       5.874   4.945   7.369  1.00  0.00           H   new
ATOM     32  N   PRO A  13       1.523   3.455   7.142  1.00  0.00           N
ATOM     33  CA  PRO A  13       0.097   3.032   7.034  1.00  0.00           C
ATOM     34  C   PRO A  13      -0.066   1.503   7.123  1.00  0.00           C
ATOM     35  O   PRO A  13       0.865   0.764   6.873  1.00  0.00           O
ATOM     36  CB  PRO A  13      -0.283   3.539   5.640  1.00  0.00           C
ATOM     37  CG  PRO A  13       0.491   4.811   5.480  1.00  0.00           C
ATOM     38  CD  PRO A  13       1.781   4.649   6.311  1.00  0.00           C
ATOM      0  HA  PRO A  13      -0.525   3.422   7.840  1.00  0.00           H   new
ATOM      0  HB2 PRO A  13      -0.020   2.815   4.869  1.00  0.00           H   new
ATOM      0  HB3 PRO A  13      -1.356   3.714   5.560  1.00  0.00           H   new
ATOM      0  HG2 PRO A  13       0.726   4.992   4.431  1.00  0.00           H   new
ATOM      0  HG3 PRO A  13      -0.090   5.665   5.829  1.00  0.00           H   new
ATOM      0  HD2 PRO A  13       2.653   4.510   5.672  1.00  0.00           H   new
ATOM      0  HD3 PRO A  13       1.973   5.529   6.925  1.00  0.00           H   new
ATOM     46  N   PRO A  14      -1.234   1.030   7.473  1.00  0.00           N
ATOM     47  CA  PRO A  14      -1.495  -0.434   7.586  1.00  0.00           C
ATOM     48  C   PRO A  14      -1.474  -1.132   6.216  1.00  0.00           C
ATOM     49  O   PRO A  14      -1.638  -0.507   5.187  1.00  0.00           O
ATOM     50  CB  PRO A  14      -2.888  -0.511   8.232  1.00  0.00           C
ATOM     51  CG  PRO A  14      -3.546   0.780   7.877  1.00  0.00           C
ATOM     52  CD  PRO A  14      -2.429   1.823   7.805  1.00  0.00           C
ATOM      0  HA  PRO A  14      -0.729  -0.944   8.170  1.00  0.00           H   new
ATOM      0  HB2 PRO A  14      -3.454  -1.361   7.851  1.00  0.00           H   new
ATOM      0  HB3 PRO A  14      -2.816  -0.634   9.313  1.00  0.00           H   new
ATOM      0  HG2 PRO A  14      -4.067   0.702   6.923  1.00  0.00           H   new
ATOM      0  HG3 PRO A  14      -4.289   1.057   8.625  1.00  0.00           H   new
ATOM      0  HD2 PRO A  14      -2.633   2.577   7.045  1.00  0.00           H   new
ATOM      0  HD3 PRO A  14      -2.310   2.349   8.752  1.00  0.00           H   new
ATOM     60  N   ASN A  15      -1.273  -2.421   6.205  1.00  0.00           N
ATOM     61  CA  ASN A  15      -1.239  -3.167   4.913  1.00  0.00           C
ATOM     62  C   ASN A  15      -0.225  -2.523   3.956  1.00  0.00           C
ATOM     63  O   ASN A  15      -0.277  -2.729   2.761  1.00  0.00           O
ATOM     64  CB  ASN A  15      -2.632  -3.145   4.275  1.00  0.00           C
ATOM     65  CG  ASN A  15      -3.696  -3.330   5.359  1.00  0.00           C
ATOM     66  OD1 ASN A  15      -3.558  -4.170   6.226  1.00  0.00           O
ATOM     67  ND2 ASN A  15      -4.760  -2.574   5.345  1.00  0.00           N
ATOM      0  H   ASN A  15      -1.130  -2.993   7.038  1.00  0.00           H   new
ATOM      0  HA  ASN A  15      -0.939  -4.197   5.105  1.00  0.00           H   new
ATOM      0  HB2 ASN A  15      -2.790  -2.201   3.754  1.00  0.00           H   new
ATOM      0  HB3 ASN A  15      -2.715  -3.937   3.531  1.00  0.00           H   new
ATOM      0 HD21 ASN A  15      -5.476  -2.688   6.062  1.00  0.00           H   new
ATOM      0 HD22 ASN A  15      -4.875  -1.869   4.617  1.00  0.00           H   new
ATOM     74  N   LEU A  16       0.702  -1.752   4.477  1.00  0.00           N
ATOM     75  CA  LEU A  16       1.738  -1.098   3.610  1.00  0.00           C
ATOM     76  C   LEU A  16       3.118  -1.430   4.166  1.00  0.00           C
ATOM     77  O   LEU A  16       3.398  -1.201   5.327  1.00  0.00           O
ATOM     78  CB  LEU A  16       1.524   0.424   3.605  1.00  0.00           C
ATOM     79  CG  LEU A  16       2.694   1.134   2.908  1.00  0.00           C
ATOM     80  CD1 LEU A  16       2.849   0.611   1.473  1.00  0.00           C
ATOM     81  CD2 LEU A  16       2.414   2.637   2.879  1.00  0.00           C
ATOM      0  H   LEU A  16       0.786  -1.546   5.472  1.00  0.00           H   new
ATOM      0  HA  LEU A  16       1.655  -1.465   2.587  1.00  0.00           H   new
ATOM      0  HB2 LEU A  16       0.591   0.663   3.095  1.00  0.00           H   new
ATOM      0  HB3 LEU A  16       1.430   0.786   4.629  1.00  0.00           H   new
ATOM      0  HG  LEU A  16       3.616   0.937   3.454  1.00  0.00           H   new
ATOM      0 HD11 LEU A  16       3.681   1.121   0.988  1.00  0.00           H   new
ATOM      0 HD12 LEU A  16       3.044  -0.461   1.496  1.00  0.00           H   new
ATOM      0 HD13 LEU A  16       1.932   0.801   0.915  1.00  0.00           H   new
ATOM      0 HD21 LEU A  16       3.239   3.151   2.386  1.00  0.00           H   new
ATOM      0 HD22 LEU A  16       1.490   2.825   2.331  1.00  0.00           H   new
ATOM      0 HD23 LEU A  16       2.313   3.008   3.899  1.00  0.00           H   new
ATOM     93  N   TYR A  17       3.977  -1.981   3.348  1.00  0.00           N
ATOM     94  CA  TYR A  17       5.350  -2.355   3.815  1.00  0.00           C
ATOM     95  C   TYR A  17       6.407  -1.644   2.984  1.00  0.00           C
ATOM     96  O   TYR A  17       6.118  -0.767   2.195  1.00  0.00           O
ATOM     97  CB  TYR A  17       5.538  -3.856   3.651  1.00  0.00           C
ATOM     98  CG  TYR A  17       4.412  -4.568   4.349  1.00  0.00           C
ATOM     99  CD1 TYR A  17       3.173  -4.705   3.716  1.00  0.00           C
ATOM    100  CD2 TYR A  17       4.611  -5.084   5.629  1.00  0.00           C
ATOM    101  CE1 TYR A  17       2.126  -5.365   4.366  1.00  0.00           C
ATOM    102  CE2 TYR A  17       3.565  -5.746   6.284  1.00  0.00           C
ATOM    103  CZ  TYR A  17       2.321  -5.887   5.651  1.00  0.00           C
ATOM    104  OH  TYR A  17       1.288  -6.538   6.296  1.00  0.00           O
ATOM      0  H   TYR A  17       3.786  -2.190   2.368  1.00  0.00           H   new
ATOM      0  HA  TYR A  17       5.456  -2.064   4.860  1.00  0.00           H   new
ATOM      0  HB2 TYR A  17       5.553  -4.121   2.594  1.00  0.00           H   new
ATOM      0  HB3 TYR A  17       6.496  -4.164   4.070  1.00  0.00           H   new
ATOM      0  HD1 TYR A  17       3.025  -4.301   2.725  1.00  0.00           H   new
ATOM      0  HD2 TYR A  17       5.570  -4.973   6.114  1.00  0.00           H   new
ATOM      0  HE1 TYR A  17       1.168  -5.472   3.878  1.00  0.00           H   new
ATOM      0  HE2 TYR A  17       3.716  -6.147   7.275  1.00  0.00           H   new
ATOM      0  HH  TYR A  17       1.591  -6.839   7.178  1.00  0.00           H   new
ATOM    114  N   ILE A  18       7.641  -2.031   3.169  1.00  0.00           N
ATOM    115  CA  ILE A  18       8.771  -1.406   2.408  1.00  0.00           C
ATOM    116  C   ILE A  18       9.600  -2.525   1.747  1.00  0.00           C
ATOM    117  O   ILE A  18       9.803  -3.576   2.323  1.00  0.00           O
ATOM    118  CB  ILE A  18       9.624  -0.567   3.403  1.00  0.00           C
ATOM    119  CG1 ILE A  18      10.044   0.775   2.774  1.00  0.00           C
ATOM    120  CG2 ILE A  18      10.880  -1.326   3.850  1.00  0.00           C
ATOM    121  CD1 ILE A  18      10.706   0.559   1.408  1.00  0.00           C
ATOM      0  H   ILE A  18       7.921  -2.762   3.822  1.00  0.00           H   new
ATOM      0  HA  ILE A  18       8.407  -0.745   1.621  1.00  0.00           H   new
ATOM      0  HB  ILE A  18       8.998  -0.379   4.275  1.00  0.00           H   new
ATOM      0 HG12 ILE A  18       9.170   1.417   2.661  1.00  0.00           H   new
ATOM      0 HG13 ILE A  18      10.735   1.292   3.439  1.00  0.00           H   new
ATOM      0 HG21 ILE A  18      11.450  -0.709   4.544  1.00  0.00           H   new
ATOM      0 HG22 ILE A  18      10.588  -2.253   4.344  1.00  0.00           H   new
ATOM      0 HG23 ILE A  18      11.495  -1.556   2.980  1.00  0.00           H   new
ATOM      0 HD11 ILE A  18      10.993   1.522   0.986  1.00  0.00           H   new
ATOM      0 HD12 ILE A  18      11.593  -0.063   1.528  1.00  0.00           H   new
ATOM      0 HD13 ILE A  18      10.004   0.064   0.737  1.00  0.00           H   new
ATOM    133  N   ARG A  19      10.071  -2.312   0.547  1.00  0.00           N
ATOM    134  CA  ARG A  19      10.879  -3.366  -0.145  1.00  0.00           C
ATOM    135  C   ARG A  19      12.365  -3.142   0.154  1.00  0.00           C
ATOM    136  O   ARG A  19      12.822  -2.022   0.267  1.00  0.00           O
ATOM    137  CB  ARG A  19      10.638  -3.274  -1.659  1.00  0.00           C
ATOM    138  CG  ARG A  19      11.099  -4.569  -2.340  1.00  0.00           C
ATOM    139  CD  ARG A  19      10.794  -4.506  -3.843  1.00  0.00           C
ATOM    140  NE  ARG A  19       9.392  -4.038  -4.059  1.00  0.00           N
ATOM    141  CZ  ARG A  19       9.015  -3.624  -5.241  1.00  0.00           C
ATOM    142  NH1 ARG A  19       9.866  -3.612  -6.230  1.00  0.00           N
ATOM    143  NH2 ARG A  19       7.788  -3.225  -5.436  1.00  0.00           N
ATOM      0  H   ARG A  19       9.932  -1.454   0.013  1.00  0.00           H   new
ATOM      0  HA  ARG A  19      10.583  -4.353   0.211  1.00  0.00           H   new
ATOM      0  HB2 ARG A  19       9.580  -3.105  -1.858  1.00  0.00           H   new
ATOM      0  HB3 ARG A  19      11.180  -2.423  -2.071  1.00  0.00           H   new
ATOM      0  HG2 ARG A  19      12.168  -4.712  -2.183  1.00  0.00           H   new
ATOM      0  HG3 ARG A  19      10.594  -5.425  -1.893  1.00  0.00           H   new
ATOM      0  HD2 ARG A  19      11.492  -3.830  -4.336  1.00  0.00           H   new
ATOM      0  HD3 ARG A  19      10.931  -5.490  -4.292  1.00  0.00           H   new
ATOM      0  HE  ARG A  19       8.728  -4.041  -3.284  1.00  0.00           H   new
ATOM      0 HH11 ARG A  19      10.825  -3.925  -6.081  1.00  0.00           H   new
ATOM      0 HH12 ARG A  19       9.572  -3.289  -7.152  1.00  0.00           H   new
ATOM      0 HH21 ARG A  19       7.120  -3.235  -4.665  1.00  0.00           H   new
ATOM      0 HH22 ARG A  19       7.497  -2.903  -6.359  1.00  0.00           H   new
ATOM    157  N   ASN A  20      13.122  -4.198   0.288  1.00  0.00           N
ATOM    158  CA  ASN A  20      14.578  -4.047   0.584  1.00  0.00           C
ATOM    159  C   ASN A  20      15.228  -3.137  -0.458  1.00  0.00           C
ATOM    160  O   ASN A  20      16.296  -2.596  -0.244  1.00  0.00           O
ATOM    161  CB  ASN A  20      15.252  -5.416   0.545  1.00  0.00           C
ATOM    162  CG  ASN A  20      14.477  -6.389   1.434  1.00  0.00           C
ATOM    163  OD1 ASN A  20      14.319  -6.157   2.616  1.00  0.00           O
ATOM    164  ND2 ASN A  20      13.984  -7.477   0.911  1.00  0.00           N
ATOM      0  H   ASN A  20      12.795  -5.161   0.205  1.00  0.00           H   new
ATOM      0  HA  ASN A  20      14.696  -3.607   1.574  1.00  0.00           H   new
ATOM      0  HB2 ASN A  20      15.284  -5.789  -0.479  1.00  0.00           H   new
ATOM      0  HB3 ASN A  20      16.284  -5.336   0.888  1.00  0.00           H   new
ATOM      0 HD21 ASN A  20      13.465  -8.134   1.494  1.00  0.00           H   new
ATOM      0 HD22 ASN A  20      14.117  -7.671  -0.081  1.00  0.00           H   new
ATOM    171  N   ASN A  21      14.593  -2.962  -1.582  1.00  0.00           N
ATOM    172  CA  ASN A  21      15.167  -2.087  -2.634  1.00  0.00           C
ATOM    173  C   ASN A  21      14.726  -0.650  -2.362  1.00  0.00           C
ATOM    174  O   ASN A  21      15.060   0.266  -3.089  1.00  0.00           O
ATOM    175  CB  ASN A  21      14.639  -2.536  -3.996  1.00  0.00           C
ATOM    176  CG  ASN A  21      14.896  -4.033  -4.179  1.00  0.00           C
ATOM    177  OD1 ASN A  21      15.740  -4.603  -3.519  1.00  0.00           O
ATOM    178  ND2 ASN A  21      14.196  -4.698  -5.059  1.00  0.00           N
ATOM      0  H   ASN A  21      13.697  -3.390  -1.816  1.00  0.00           H   new
ATOM      0  HA  ASN A  21      16.255  -2.148  -2.630  1.00  0.00           H   new
ATOM      0  HB2 ASN A  21      13.571  -2.329  -4.070  1.00  0.00           H   new
ATOM      0  HB3 ASN A  21      15.129  -1.973  -4.791  1.00  0.00           H   new
ATOM      0 HD21 ASN A  21      14.359  -5.696  -5.191  1.00  0.00           H   new
ATOM      0 HD22 ASN A  21      13.487  -4.219  -5.614  1.00  0.00           H   new
ATOM    185  N   GLY A  22      13.979  -0.449  -1.309  1.00  0.00           N
ATOM    186  CA  GLY A  22      13.514   0.925  -0.968  1.00  0.00           C
ATOM    187  C   GLY A  22      12.193   1.219  -1.685  1.00  0.00           C
ATOM    188  O   GLY A  22      11.658   2.305  -1.595  1.00  0.00           O
ATOM      0  H   GLY A  22      13.670  -1.181  -0.669  1.00  0.00           H   new
ATOM      0  HA2 GLY A  22      13.381   1.017   0.110  1.00  0.00           H   new
ATOM      0  HA3 GLY A  22      14.267   1.657  -1.260  1.00  0.00           H   new
ATOM    192  N   TYR A  23      11.659   0.261  -2.395  1.00  0.00           N
ATOM    193  CA  TYR A  23      10.372   0.493  -3.117  1.00  0.00           C
ATOM    194  C   TYR A  23       9.205   0.234  -2.156  1.00  0.00           C
ATOM    195  O   TYR A  23       9.225  -0.696  -1.373  1.00  0.00           O
ATOM    196  CB  TYR A  23      10.272  -0.473  -4.318  1.00  0.00           C
ATOM    197  CG  TYR A  23      10.868   0.157  -5.560  1.00  0.00           C
ATOM    198  CD1 TYR A  23      12.249   0.105  -5.776  1.00  0.00           C
ATOM    199  CD2 TYR A  23      10.035   0.777  -6.498  1.00  0.00           C
ATOM    200  CE1 TYR A  23      12.798   0.675  -6.930  1.00  0.00           C
ATOM    201  CE2 TYR A  23      10.583   1.349  -7.653  1.00  0.00           C
ATOM    202  CZ  TYR A  23      11.966   1.297  -7.868  1.00  0.00           C
ATOM    203  OH  TYR A  23      12.508   1.858  -9.006  1.00  0.00           O
ATOM      0  H   TYR A  23      12.057  -0.671  -2.507  1.00  0.00           H   new
ATOM      0  HA  TYR A  23      10.333   1.521  -3.477  1.00  0.00           H   new
ATOM      0  HB2 TYR A  23      10.794  -1.402  -4.089  1.00  0.00           H   new
ATOM      0  HB3 TYR A  23       9.228  -0.730  -4.499  1.00  0.00           H   new
ATOM      0  HD1 TYR A  23      12.891  -0.375  -5.052  1.00  0.00           H   new
ATOM      0  HD2 TYR A  23       8.969   0.814  -6.331  1.00  0.00           H   new
ATOM      0  HE1 TYR A  23      13.864   0.635  -7.097  1.00  0.00           H   new
ATOM      0  HE2 TYR A  23       9.941   1.829  -8.376  1.00  0.00           H   new
ATOM      0  HH  TYR A  23      11.793   2.247  -9.551  1.00  0.00           H   new
ATOM    213  N   TYR A  24       8.185   1.047  -2.222  1.00  0.00           N
ATOM    214  CA  TYR A  24       7.009   0.848  -1.326  1.00  0.00           C
ATOM    215  C   TYR A  24       6.061  -0.174  -1.967  1.00  0.00           C
ATOM    216  O   TYR A  24       5.942  -0.245  -3.173  1.00  0.00           O
ATOM    217  CB  TYR A  24       6.278   2.183  -1.157  1.00  0.00           C
ATOM    218  CG  TYR A  24       7.023   3.062  -0.174  1.00  0.00           C
ATOM    219  CD1 TYR A  24       7.037   2.729   1.185  1.00  0.00           C
ATOM    220  CD2 TYR A  24       7.686   4.214  -0.619  1.00  0.00           C
ATOM    221  CE1 TYR A  24       7.715   3.546   2.100  1.00  0.00           C
ATOM    222  CE2 TYR A  24       8.362   5.032   0.295  1.00  0.00           C
ATOM    223  CZ  TYR A  24       8.376   4.697   1.655  1.00  0.00           C
ATOM    224  OH  TYR A  24       9.039   5.503   2.556  1.00  0.00           O
ATOM      0  H   TYR A  24       8.115   1.841  -2.858  1.00  0.00           H   new
ATOM      0  HA  TYR A  24       7.338   0.485  -0.352  1.00  0.00           H   new
ATOM      0  HB2 TYR A  24       6.198   2.687  -2.120  1.00  0.00           H   new
ATOM      0  HB3 TYR A  24       5.262   2.008  -0.803  1.00  0.00           H   new
ATOM      0  HD1 TYR A  24       6.525   1.842   1.529  1.00  0.00           H   new
ATOM      0  HD2 TYR A  24       7.676   4.471  -1.668  1.00  0.00           H   new
ATOM      0  HE1 TYR A  24       7.727   3.288   3.149  1.00  0.00           H   new
ATOM      0  HE2 TYR A  24       8.872   5.920  -0.048  1.00  0.00           H   new
ATOM      0  HH  TYR A  24       9.404   6.284   2.090  1.00  0.00           H   new
ATOM    234  N   CYS A  25       5.380  -0.969  -1.175  1.00  0.00           N
ATOM    235  CA  CYS A  25       4.443  -1.983  -1.757  1.00  0.00           C
ATOM    236  C   CYS A  25       3.236  -2.182  -0.836  1.00  0.00           C
ATOM    237  O   CYS A  25       3.374  -2.402   0.351  1.00  0.00           O
ATOM    238  CB  CYS A  25       5.173  -3.318  -1.924  1.00  0.00           C
ATOM    239  SG  CYS A  25       5.501  -4.034  -0.294  1.00  0.00           S
ATOM      0  H   CYS A  25       5.432  -0.960  -0.156  1.00  0.00           H   new
ATOM      0  HA  CYS A  25       4.097  -1.625  -2.727  1.00  0.00           H   new
ATOM      0  HB2 CYS A  25       4.569  -4.003  -2.519  1.00  0.00           H   new
ATOM      0  HB3 CYS A  25       6.109  -3.168  -2.462  1.00  0.00           H   new
ATOM      0  HG  CYS A  25       4.731  -3.472   0.590  1.00  0.00           H   new
ATOM    245  N   TYR A  26       2.049  -2.110  -1.384  1.00  0.00           N
ATOM    246  CA  TYR A  26       0.812  -2.300  -0.563  1.00  0.00           C
ATOM    247  C   TYR A  26       0.307  -3.729  -0.748  1.00  0.00           C
ATOM    248  O   TYR A  26       0.473  -4.320  -1.797  1.00  0.00           O
ATOM    249  CB  TYR A  26      -0.261  -1.323  -1.043  1.00  0.00           C
ATOM    250  CG  TYR A  26      -1.497  -1.443  -0.185  1.00  0.00           C
ATOM    251  CD1 TYR A  26      -2.442  -2.443  -0.445  1.00  0.00           C
ATOM    252  CD2 TYR A  26      -1.703  -0.543   0.862  1.00  0.00           C
ATOM    253  CE1 TYR A  26      -3.591  -2.540   0.349  1.00  0.00           C
ATOM    254  CE2 TYR A  26      -2.853  -0.636   1.654  1.00  0.00           C
ATOM    255  CZ  TYR A  26      -3.798  -1.637   1.396  1.00  0.00           C
ATOM    256  OH  TYR A  26      -4.935  -1.732   2.172  1.00  0.00           O
ATOM      0  H   TYR A  26       1.882  -1.926  -2.373  1.00  0.00           H   new
ATOM      0  HA  TYR A  26       1.033  -2.118   0.489  1.00  0.00           H   new
ATOM      0  HB2 TYR A  26       0.121  -0.303  -1.002  1.00  0.00           H   new
ATOM      0  HB3 TYR A  26      -0.511  -1.528  -2.084  1.00  0.00           H   new
ATOM      0  HD1 TYR A  26      -2.285  -3.138  -1.256  1.00  0.00           H   new
ATOM      0  HD2 TYR A  26      -0.973   0.227   1.061  1.00  0.00           H   new
ATOM      0  HE1 TYR A  26      -4.319  -3.314   0.152  1.00  0.00           H   new
ATOM      0  HE2 TYR A  26      -3.011   0.063   2.462  1.00  0.00           H   new
ATOM      0  HH  TYR A  26      -5.227  -2.667   2.212  1.00  0.00           H   new
ATOM    266  N   ARG A  27      -0.310  -4.288   0.261  1.00  0.00           N
ATOM    267  CA  ARG A  27      -0.831  -5.686   0.147  1.00  0.00           C
ATOM    268  C   ARG A  27      -2.349  -5.653  -0.027  1.00  0.00           C
ATOM    269  O   ARG A  27      -3.074  -5.191   0.833  1.00  0.00           O
ATOM    270  CB  ARG A  27      -0.479  -6.462   1.420  1.00  0.00           C
ATOM    271  CG  ARG A  27      -1.043  -7.895   1.337  1.00  0.00           C
ATOM    272  CD  ARG A  27      -0.161  -8.854   2.143  1.00  0.00           C
ATOM    273  NE  ARG A  27       1.062  -9.171   1.353  1.00  0.00           N
ATOM    274  CZ  ARG A  27       2.101  -9.712   1.930  1.00  0.00           C
ATOM    275  NH1 ARG A  27       2.069  -9.992   3.204  1.00  0.00           N
ATOM    276  NH2 ARG A  27       3.169  -9.975   1.228  1.00  0.00           N
ATOM      0  H   ARG A  27      -0.476  -3.837   1.161  1.00  0.00           H   new
ATOM      0  HA  ARG A  27      -0.379  -6.175  -0.716  1.00  0.00           H   new
ATOM      0  HB2 ARG A  27       0.603  -6.495   1.548  1.00  0.00           H   new
ATOM      0  HB3 ARG A  27      -0.888  -5.951   2.292  1.00  0.00           H   new
ATOM      0  HG2 ARG A  27      -2.063  -7.916   1.722  1.00  0.00           H   new
ATOM      0  HG3 ARG A  27      -1.088  -8.217   0.297  1.00  0.00           H   new
ATOM      0  HD2 ARG A  27       0.114  -8.402   3.096  1.00  0.00           H   new
ATOM      0  HD3 ARG A  27      -0.709  -9.768   2.370  1.00  0.00           H   new
ATOM      0  HE  ARG A  27       1.088  -8.964   0.355  1.00  0.00           H   new
ATOM      0 HH11 ARG A  27       1.232  -9.788   3.750  1.00  0.00           H   new
ATOM      0 HH12 ARG A  27       2.881 -10.415   3.654  1.00  0.00           H   new
ATOM      0 HH21 ARG A  27       3.191  -9.758   0.232  1.00  0.00           H   new
ATOM      0 HH22 ARG A  27       3.982 -10.398   1.676  1.00  0.00           H   new
ATOM    290  N   ASP A  28      -2.838  -6.138  -1.140  1.00  0.00           N
ATOM    291  CA  ASP A  28      -4.315  -6.131  -1.373  1.00  0.00           C
ATOM    292  C   ASP A  28      -4.990  -7.154  -0.442  1.00  0.00           C
ATOM    293  O   ASP A  28      -4.392  -8.146  -0.082  1.00  0.00           O
ATOM    294  CB  ASP A  28      -4.605  -6.509  -2.825  1.00  0.00           C
ATOM    295  CG  ASP A  28      -4.251  -5.335  -3.740  1.00  0.00           C
ATOM    296  OD1 ASP A  28      -3.256  -4.681  -3.475  1.00  0.00           O
ATOM    297  OD2 ASP A  28      -4.981  -5.111  -4.691  1.00  0.00           O
ATOM      0  H   ASP A  28      -2.281  -6.537  -1.895  1.00  0.00           H   new
ATOM      0  HA  ASP A  28      -4.706  -5.134  -1.167  1.00  0.00           H   new
ATOM      0  HB2 ASP A  28      -4.026  -7.389  -3.105  1.00  0.00           H   new
ATOM      0  HB3 ASP A  28      -5.657  -6.769  -2.941  1.00  0.00           H   new
ATOM    302  N   PRO A  29      -6.226  -6.924  -0.052  1.00  0.00           N
ATOM    303  CA  PRO A  29      -6.976  -7.858   0.846  1.00  0.00           C
ATOM    304  C   PRO A  29      -7.675  -8.996   0.081  1.00  0.00           C
ATOM    305  O   PRO A  29      -8.227  -9.903   0.674  1.00  0.00           O
ATOM    306  CB  PRO A  29      -8.023  -6.933   1.462  1.00  0.00           C
ATOM    307  CG  PRO A  29      -8.378  -6.018   0.338  1.00  0.00           C
ATOM    308  CD  PRO A  29      -7.061  -5.752  -0.404  1.00  0.00           C
ATOM      0  HA  PRO A  29      -6.321  -8.361   1.557  1.00  0.00           H   new
ATOM      0  HB2 PRO A  29      -8.891  -7.488   1.818  1.00  0.00           H   new
ATOM      0  HB3 PRO A  29      -7.623  -6.385   2.315  1.00  0.00           H   new
ATOM      0  HG2 PRO A  29      -9.115  -6.475  -0.322  1.00  0.00           H   new
ATOM      0  HG3 PRO A  29      -8.814  -5.090   0.709  1.00  0.00           H   new
ATOM      0  HD2 PRO A  29      -7.214  -5.677  -1.481  1.00  0.00           H   new
ATOM      0  HD3 PRO A  29      -6.600  -4.819  -0.082  1.00  0.00           H   new
ATOM    316  N   ARG A  30      -7.685  -8.940  -1.224  1.00  0.00           N
ATOM    317  CA  ARG A  30      -8.380  -9.995  -2.021  1.00  0.00           C
ATOM    318  C   ARG A  30      -7.417 -11.138  -2.362  1.00  0.00           C
ATOM    319  O   ARG A  30      -7.748 -12.298  -2.210  1.00  0.00           O
ATOM    320  CB  ARG A  30      -8.904  -9.360  -3.311  1.00  0.00           C
ATOM    321  CG  ARG A  30      -9.682 -10.392  -4.132  1.00  0.00           C
ATOM    322  CD  ARG A  30     -10.389  -9.685  -5.293  1.00  0.00           C
ATOM    323  NE  ARG A  30     -11.251  -8.594  -4.761  1.00  0.00           N
ATOM    324  CZ  ARG A  30     -11.661  -7.638  -5.551  1.00  0.00           C
ATOM    325  NH1 ARG A  30     -11.310  -7.633  -6.808  1.00  0.00           N
ATOM    326  NH2 ARG A  30     -12.414  -6.683  -5.080  1.00  0.00           N
ATOM      0  H   ARG A  30      -7.240  -8.206  -1.775  1.00  0.00           H   new
ATOM      0  HA  ARG A  30      -9.204 -10.407  -1.438  1.00  0.00           H   new
ATOM      0  HB2 ARG A  30      -9.549  -8.514  -3.072  1.00  0.00           H   new
ATOM      0  HB3 ARG A  30      -8.072  -8.971  -3.897  1.00  0.00           H   new
ATOM      0  HG2 ARG A  30      -9.004 -11.156  -4.514  1.00  0.00           H   new
ATOM      0  HG3 ARG A  30     -10.412 -10.900  -3.502  1.00  0.00           H   new
ATOM      0  HD2 ARG A  30      -9.653  -9.276  -5.986  1.00  0.00           H   new
ATOM      0  HD3 ARG A  30     -10.993 -10.399  -5.854  1.00  0.00           H   new
ATOM      0  HE  ARG A  30     -11.522  -8.593  -3.778  1.00  0.00           H   new
ATOM      0 HH11 ARG A  30     -10.715  -8.376  -7.174  1.00  0.00           H   new
ATOM      0 HH12 ARG A  30     -11.631  -6.886  -7.424  1.00  0.00           H   new
ATOM      0 HH21 ARG A  30     -12.682  -6.683  -4.096  1.00  0.00           H   new
ATOM      0 HH22 ARG A  30     -12.735  -5.936  -5.696  1.00  0.00           H   new
ATOM    340  N   THR A  31      -6.239 -10.820  -2.830  1.00  0.00           N
ATOM    341  CA  THR A  31      -5.250 -11.876  -3.196  1.00  0.00           C
ATOM    342  C   THR A  31      -4.104 -11.886  -2.184  1.00  0.00           C
ATOM    343  O   THR A  31      -3.291 -12.789  -2.160  1.00  0.00           O
ATOM    344  CB  THR A  31      -4.688 -11.554  -4.577  1.00  0.00           C
ATOM    345  OG1 THR A  31      -3.906 -10.372  -4.496  1.00  0.00           O
ATOM    346  CG2 THR A  31      -5.837 -11.339  -5.560  1.00  0.00           C
ATOM      0  H   THR A  31      -5.917  -9.863  -2.976  1.00  0.00           H   new
ATOM      0  HA  THR A  31      -5.737 -12.851  -3.198  1.00  0.00           H   new
ATOM      0  HB  THR A  31      -4.069 -12.382  -4.923  1.00  0.00           H   new
ATOM      0  HG1 THR A  31      -3.673 -10.071  -5.399  1.00  0.00           H   new
ATOM      0 HG21 THR A  31      -5.434 -11.109  -6.546  1.00  0.00           H   new
ATOM      0 HG22 THR A  31      -6.441 -12.244  -5.617  1.00  0.00           H   new
ATOM      0 HG23 THR A  31      -6.457 -10.510  -5.219  1.00  0.00           H   new
ATOM    354  N   GLY A  32      -4.026 -10.887  -1.348  1.00  0.00           N
ATOM    355  CA  GLY A  32      -2.925 -10.845  -0.346  1.00  0.00           C
ATOM    356  C   GLY A  32      -1.588 -10.621  -1.058  1.00  0.00           C
ATOM    357  O   GLY A  32      -0.544 -10.589  -0.438  1.00  0.00           O
ATOM      0  H   GLY A  32      -4.675 -10.101  -1.316  1.00  0.00           H   new
ATOM      0  HA2 GLY A  32      -3.104 -10.045   0.372  1.00  0.00           H   new
ATOM      0  HA3 GLY A  32      -2.897 -11.778   0.217  1.00  0.00           H   new
ATOM    361  N   LYS A  33      -1.609 -10.464  -2.354  1.00  0.00           N
ATOM    362  CA  LYS A  33      -0.333 -10.242  -3.092  1.00  0.00           C
ATOM    363  C   LYS A  33       0.157  -8.813  -2.820  1.00  0.00           C
ATOM    364  O   LYS A  33      -0.462  -8.069  -2.087  1.00  0.00           O
ATOM    365  CB  LYS A  33      -0.575 -10.460  -4.608  1.00  0.00           C
ATOM    366  CG  LYS A  33       0.286 -11.618  -5.137  1.00  0.00           C
ATOM    367  CD  LYS A  33       1.754 -11.186  -5.219  1.00  0.00           C
ATOM    368  CE  LYS A  33       2.538 -12.222  -6.028  1.00  0.00           C
ATOM    369  NZ  LYS A  33       2.260 -13.582  -5.484  1.00  0.00           N
ATOM      0  H   LYS A  33      -2.450 -10.480  -2.931  1.00  0.00           H   new
ATOM      0  HA  LYS A  33       0.428 -10.947  -2.757  1.00  0.00           H   new
ATOM      0  HB2 LYS A  33      -1.629 -10.674  -4.786  1.00  0.00           H   new
ATOM      0  HB3 LYS A  33      -0.339  -9.546  -5.154  1.00  0.00           H   new
ATOM      0  HG2 LYS A  33       0.189 -12.483  -4.481  1.00  0.00           H   new
ATOM      0  HG3 LYS A  33      -0.067 -11.924  -6.122  1.00  0.00           H   new
ATOM      0  HD2 LYS A  33       1.831 -10.205  -5.689  1.00  0.00           H   new
ATOM      0  HD3 LYS A  33       2.175 -11.094  -4.218  1.00  0.00           H   new
ATOM      0  HE2 LYS A  33       2.252 -12.172  -7.079  1.00  0.00           H   new
ATOM      0  HE3 LYS A  33       3.606 -12.008  -5.977  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  33       2.996 -14.242  -5.807  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  33       2.259 -13.547  -4.445  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  33       1.331 -13.907  -5.820  1.00  0.00           H   new
ATOM    383  N   GLU A  34       1.267  -8.432  -3.407  1.00  0.00           N
ATOM    384  CA  GLU A  34       1.814  -7.054  -3.189  1.00  0.00           C
ATOM    385  C   GLU A  34       1.663  -6.234  -4.472  1.00  0.00           C
ATOM    386  O   GLU A  34       1.348  -6.759  -5.522  1.00  0.00           O
ATOM    387  CB  GLU A  34       3.298  -7.158  -2.823  1.00  0.00           C
ATOM    388  CG  GLU A  34       3.495  -8.305  -1.828  1.00  0.00           C
ATOM    389  CD  GLU A  34       4.905  -8.239  -1.237  1.00  0.00           C
ATOM    390  OE1 GLU A  34       5.853  -8.341  -2.000  1.00  0.00           O
ATOM    391  OE2 GLU A  34       5.015  -8.090  -0.031  1.00  0.00           O
ATOM      0  H   GLU A  34       1.820  -9.019  -4.031  1.00  0.00           H   new
ATOM      0  HA  GLU A  34       1.267  -6.565  -2.383  1.00  0.00           H   new
ATOM      0  HB2 GLU A  34       3.894  -7.332  -3.719  1.00  0.00           H   new
ATOM      0  HB3 GLU A  34       3.644  -6.220  -2.388  1.00  0.00           H   new
ATOM      0  HG2 GLU A  34       2.753  -8.240  -1.032  1.00  0.00           H   new
ATOM      0  HG3 GLU A  34       3.344  -9.262  -2.327  1.00  0.00           H   new
ATOM    398  N   PHE A  35       1.884  -4.949  -4.392  1.00  0.00           N
ATOM    399  CA  PHE A  35       1.756  -4.078  -5.602  1.00  0.00           C
ATOM    400  C   PHE A  35       2.875  -3.033  -5.593  1.00  0.00           C
ATOM    401  O   PHE A  35       2.969  -2.218  -4.697  1.00  0.00           O
ATOM    402  CB  PHE A  35       0.394  -3.364  -5.572  1.00  0.00           C
ATOM    403  CG  PHE A  35      -0.682  -4.275  -6.121  1.00  0.00           C
ATOM    404  CD1 PHE A  35      -1.193  -5.309  -5.331  1.00  0.00           C
ATOM    405  CD2 PHE A  35      -1.164  -4.080  -7.421  1.00  0.00           C
ATOM    406  CE1 PHE A  35      -2.188  -6.151  -5.841  1.00  0.00           C
ATOM    407  CE2 PHE A  35      -2.160  -4.922  -7.931  1.00  0.00           C
ATOM    408  CZ  PHE A  35      -2.672  -5.958  -7.142  1.00  0.00           C
ATOM      0  H   PHE A  35       2.149  -4.460  -3.537  1.00  0.00           H   new
ATOM      0  HA  PHE A  35       1.831  -4.688  -6.502  1.00  0.00           H   new
ATOM      0  HB2 PHE A  35       0.149  -3.074  -4.550  1.00  0.00           H   new
ATOM      0  HB3 PHE A  35       0.442  -2.448  -6.161  1.00  0.00           H   new
ATOM      0  HD1 PHE A  35      -0.820  -5.458  -4.328  1.00  0.00           H   new
ATOM      0  HD2 PHE A  35      -0.768  -3.281  -8.030  1.00  0.00           H   new
ATOM      0  HE1 PHE A  35      -2.583  -6.950  -5.231  1.00  0.00           H   new
ATOM      0  HE2 PHE A  35      -2.533  -4.772  -8.933  1.00  0.00           H   new
ATOM      0  HZ  PHE A  35      -3.439  -6.608  -7.535  1.00  0.00           H   new
ATOM    418  N   GLY A  36       3.716  -3.042  -6.591  1.00  0.00           N
ATOM    419  CA  GLY A  36       4.816  -2.041  -6.643  1.00  0.00           C
ATOM    420  C   GLY A  36       4.225  -0.658  -6.916  1.00  0.00           C
ATOM    421  O   GLY A  36       3.550  -0.449  -7.903  1.00  0.00           O
ATOM      0  H   GLY A  36       3.688  -3.699  -7.371  1.00  0.00           H   new
ATOM      0  HA2 GLY A  36       5.364  -2.036  -5.701  1.00  0.00           H   new
ATOM      0  HA3 GLY A  36       5.528  -2.306  -7.424  1.00  0.00           H   new
ATOM    425  N   LEU A  37       4.478   0.290  -6.049  1.00  0.00           N
ATOM    426  CA  LEU A  37       3.940   1.674  -6.245  1.00  0.00           C
ATOM    427  C   LEU A  37       5.084   2.601  -6.656  1.00  0.00           C
ATOM    428  O   LEU A  37       4.956   3.406  -7.557  1.00  0.00           O
ATOM    429  CB  LEU A  37       3.334   2.183  -4.932  1.00  0.00           C
ATOM    430  CG  LEU A  37       2.493   1.086  -4.283  1.00  0.00           C
ATOM    431  CD1 LEU A  37       1.869   1.630  -3.001  1.00  0.00           C
ATOM    432  CD2 LEU A  37       1.380   0.646  -5.239  1.00  0.00           C
ATOM      0  H   LEU A  37       5.039   0.165  -5.206  1.00  0.00           H   new
ATOM      0  HA  LEU A  37       3.173   1.659  -7.019  1.00  0.00           H   new
ATOM      0  HB2 LEU A  37       4.128   2.494  -4.252  1.00  0.00           H   new
ATOM      0  HB3 LEU A  37       2.716   3.060  -5.123  1.00  0.00           H   new
ATOM      0  HG  LEU A  37       3.129   0.230  -4.056  1.00  0.00           H   new
ATOM      0 HD11 LEU A  37       1.267   0.853  -2.531  1.00  0.00           H   new
ATOM      0 HD12 LEU A  37       2.658   1.941  -2.316  1.00  0.00           H   new
ATOM      0 HD13 LEU A  37       1.236   2.485  -3.239  1.00  0.00           H   new
ATOM      0 HD21 LEU A  37       0.785  -0.137  -4.769  1.00  0.00           H   new
ATOM      0 HD22 LEU A  37       0.741   1.498  -5.470  1.00  0.00           H   new
ATOM      0 HD23 LEU A  37       1.821   0.263  -6.159  1.00  0.00           H   new
ATOM    444  N   GLY A  38       6.204   2.487  -5.995  1.00  0.00           N
ATOM    445  CA  GLY A  38       7.371   3.354  -6.327  1.00  0.00           C
ATOM    446  C   GLY A  38       8.159   3.638  -5.051  1.00  0.00           C
ATOM    447  O   GLY A  38       7.806   3.188  -3.977  1.00  0.00           O
ATOM      0  H   GLY A  38       6.362   1.826  -5.234  1.00  0.00           H   new
ATOM      0  HA2 GLY A  38       8.009   2.862  -7.061  1.00  0.00           H   new
ATOM      0  HA3 GLY A  38       7.031   4.288  -6.775  1.00  0.00           H   new
ATOM    451  N   ARG A  39       9.219   4.391  -5.156  1.00  0.00           N
ATOM    452  CA  ARG A  39      10.031   4.715  -3.950  1.00  0.00           C
ATOM    453  C   ARG A  39       9.526   6.032  -3.369  1.00  0.00           C
ATOM    454  O   ARG A  39      10.144   6.629  -2.510  1.00  0.00           O
ATOM    455  CB  ARG A  39      11.494   4.888  -4.346  1.00  0.00           C
ATOM    456  CG  ARG A  39      12.001   3.653  -5.111  1.00  0.00           C
ATOM    457  CD  ARG A  39      13.298   4.002  -5.872  1.00  0.00           C
ATOM    458  NE  ARG A  39      14.231   2.840  -5.798  1.00  0.00           N
ATOM    459  CZ  ARG A  39      15.300   2.806  -6.547  1.00  0.00           C
ATOM    460  NH1 ARG A  39      15.540   3.773  -7.388  1.00  0.00           N
ATOM    461  NH2 ARG A  39      16.128   1.800  -6.458  1.00  0.00           N
ATOM      0  H   ARG A  39       9.559   4.797  -6.028  1.00  0.00           H   new
ATOM      0  HA  ARG A  39       9.943   3.910  -3.220  1.00  0.00           H   new
ATOM      0  HB2 ARG A  39      11.605   5.777  -4.967  1.00  0.00           H   new
ATOM      0  HB3 ARG A  39      12.101   5.044  -3.454  1.00  0.00           H   new
ATOM      0  HG2 ARG A  39      12.186   2.834  -4.416  1.00  0.00           H   new
ATOM      0  HG3 ARG A  39      11.239   3.310  -5.811  1.00  0.00           H   new
ATOM      0  HD2 ARG A  39      13.073   4.238  -6.912  1.00  0.00           H   new
ATOM      0  HD3 ARG A  39      13.763   4.887  -5.438  1.00  0.00           H   new
ATOM      0  HE  ARG A  39      14.033   2.069  -5.160  1.00  0.00           H   new
ATOM      0 HH11 ARG A  39      14.892   4.557  -7.461  1.00  0.00           H   new
ATOM      0 HH12 ARG A  39      16.376   3.745  -7.972  1.00  0.00           H   new
ATOM      0 HH21 ARG A  39      15.940   1.041  -5.803  1.00  0.00           H   new
ATOM      0 HH22 ARG A  39      16.963   1.773  -7.043  1.00  0.00           H   new
ATOM    475  N   ASP A  40       8.409   6.494  -3.854  1.00  0.00           N
ATOM    476  CA  ASP A  40       7.840   7.786  -3.365  1.00  0.00           C
ATOM    477  C   ASP A  40       6.795   7.523  -2.277  1.00  0.00           C
ATOM    478  O   ASP A  40       5.686   7.104  -2.550  1.00  0.00           O
ATOM    479  CB  ASP A  40       7.167   8.512  -4.530  1.00  0.00           C
ATOM    480  CG  ASP A  40       8.229   8.962  -5.539  1.00  0.00           C
ATOM    481  OD1 ASP A  40       9.315   8.405  -5.513  1.00  0.00           O
ATOM    482  OD2 ASP A  40       7.938   9.852  -6.320  1.00  0.00           O
ATOM      0  H   ASP A  40       7.858   6.029  -4.576  1.00  0.00           H   new
ATOM      0  HA  ASP A  40       8.645   8.395  -2.954  1.00  0.00           H   new
ATOM      0  HB2 ASP A  40       6.447   7.853  -5.015  1.00  0.00           H   new
ATOM      0  HB3 ASP A  40       6.612   9.375  -4.162  1.00  0.00           H   new
ATOM    487  N   ARG A  41       7.138   7.781  -1.046  1.00  0.00           N
ATOM    488  CA  ARG A  41       6.170   7.568   0.069  1.00  0.00           C
ATOM    489  C   ARG A  41       4.942   8.458  -0.148  1.00  0.00           C
ATOM    490  O   ARG A  41       3.889   8.230   0.411  1.00  0.00           O
ATOM    491  CB  ARG A  41       6.844   7.959   1.387  1.00  0.00           C
ATOM    492  CG  ARG A  41       7.647   9.256   1.184  1.00  0.00           C
ATOM    493  CD  ARG A  41       7.905   9.931   2.534  1.00  0.00           C
ATOM    494  NE  ARG A  41       8.853   9.091   3.318  1.00  0.00           N
ATOM    495  CZ  ARG A  41       9.398   9.551   4.410  1.00  0.00           C
ATOM    496  NH1 ARG A  41       9.111  10.753   4.832  1.00  0.00           N
ATOM    497  NH2 ARG A  41      10.229   8.805   5.081  1.00  0.00           N
ATOM      0  H   ARG A  41       8.052   8.132  -0.761  1.00  0.00           H   new
ATOM      0  HA  ARG A  41       5.863   6.523   0.099  1.00  0.00           H   new
ATOM      0  HB2 ARG A  41       6.093   8.101   2.164  1.00  0.00           H   new
ATOM      0  HB3 ARG A  41       7.503   7.159   1.723  1.00  0.00           H   new
ATOM      0  HG2 ARG A  41       8.594   9.033   0.693  1.00  0.00           H   new
ATOM      0  HG3 ARG A  41       7.099   9.933   0.529  1.00  0.00           H   new
ATOM      0  HD2 ARG A  41       8.319  10.928   2.384  1.00  0.00           H   new
ATOM      0  HD3 ARG A  41       6.969  10.053   3.080  1.00  0.00           H   new
ATOM      0  HE  ARG A  41       9.078   8.149   2.998  1.00  0.00           H   new
ATOM      0 HH11 ARG A  41       8.459  11.336   4.307  1.00  0.00           H   new
ATOM      0 HH12 ARG A  41       9.539  11.109   5.686  1.00  0.00           H   new
ATOM      0 HH21 ARG A  41      10.451   7.865   4.752  1.00  0.00           H   new
ATOM      0 HH22 ARG A  41      10.658   9.161   5.936  1.00  0.00           H   new
ATOM    511  N   ARG A  42       5.077   9.473  -0.952  1.00  0.00           N
ATOM    512  CA  ARG A  42       3.939  10.394  -1.206  1.00  0.00           C
ATOM    513  C   ARG A  42       2.897   9.681  -2.056  1.00  0.00           C
ATOM    514  O   ARG A  42       1.750   9.541  -1.677  1.00  0.00           O
ATOM    515  CB  ARG A  42       4.435  11.632  -1.966  1.00  0.00           C
ATOM    516  CG  ARG A  42       5.690  12.212  -1.300  1.00  0.00           C
ATOM    517  CD  ARG A  42       5.317  12.823   0.052  1.00  0.00           C
ATOM    518  NE  ARG A  42       6.472  13.598   0.584  1.00  0.00           N
ATOM    519  CZ  ARG A  42       6.294  14.431   1.574  1.00  0.00           C
ATOM    520  NH1 ARG A  42       5.091  14.653   2.027  1.00  0.00           N
ATOM    521  NH2 ARG A  42       7.313  15.053   2.093  1.00  0.00           N
ATOM      0  H   ARG A  42       5.937   9.706  -1.449  1.00  0.00           H   new
ATOM      0  HA  ARG A  42       3.503  10.698  -0.254  1.00  0.00           H   new
ATOM      0  HB2 ARG A  42       4.656  11.366  -3.000  1.00  0.00           H   new
ATOM      0  HB3 ARG A  42       3.650  12.387  -1.992  1.00  0.00           H   new
ATOM      0  HG2 ARG A  42       6.436  11.429  -1.163  1.00  0.00           H   new
ATOM      0  HG3 ARG A  42       6.137  12.970  -1.942  1.00  0.00           H   new
ATOM      0  HD2 ARG A  42       4.449  13.473  -0.058  1.00  0.00           H   new
ATOM      0  HD3 ARG A  42       5.039  12.037   0.754  1.00  0.00           H   new
ATOM      0  HE  ARG A  42       7.399  13.479   0.176  1.00  0.00           H   new
ATOM      0 HH11 ARG A  42       4.292  14.176   1.608  1.00  0.00           H   new
ATOM      0 HH12 ARG A  42       4.949  15.303   2.800  1.00  0.00           H   new
ATOM      0 HH21 ARG A  42       8.251  14.890   1.726  1.00  0.00           H   new
ATOM      0 HH22 ARG A  42       7.174  15.704   2.866  1.00  0.00           H   new
ATOM    535  N   ILE A  43       3.296   9.242  -3.215  1.00  0.00           N
ATOM    536  CA  ILE A  43       2.345   8.547  -4.115  1.00  0.00           C
ATOM    537  C   ILE A  43       1.969   7.190  -3.518  1.00  0.00           C
ATOM    538  O   ILE A  43       0.846   6.741  -3.625  1.00  0.00           O
ATOM    539  CB  ILE A  43       3.002   8.350  -5.484  1.00  0.00           C
ATOM    540  CG1 ILE A  43       3.248   9.711  -6.141  1.00  0.00           C
ATOM    541  CG2 ILE A  43       2.091   7.515  -6.389  1.00  0.00           C
ATOM    542  CD1 ILE A  43       4.182   9.530  -7.337  1.00  0.00           C
ATOM      0  H   ILE A  43       4.245   9.336  -3.577  1.00  0.00           H   new
ATOM      0  HA  ILE A  43       1.442   9.146  -4.228  1.00  0.00           H   new
ATOM      0  HB  ILE A  43       3.950   7.831  -5.346  1.00  0.00           H   new
ATOM      0 HG12 ILE A  43       2.303  10.148  -6.465  1.00  0.00           H   new
ATOM      0 HG13 ILE A  43       3.688  10.401  -5.422  1.00  0.00           H   new
ATOM      0 HG21 ILE A  43       2.567   7.381  -7.360  1.00  0.00           H   new
ATOM      0 HG22 ILE A  43       1.918   6.541  -5.932  1.00  0.00           H   new
ATOM      0 HG23 ILE A  43       1.139   8.029  -6.520  1.00  0.00           H   new
ATOM      0 HD11 ILE A  43       4.361  10.496  -7.809  1.00  0.00           H   new
ATOM      0 HD12 ILE A  43       5.130   9.111  -6.999  1.00  0.00           H   new
ATOM      0 HD13 ILE A  43       3.723   8.854  -8.058  1.00  0.00           H   new
ATOM    554  N   ALA A  44       2.903   6.529  -2.902  1.00  0.00           N
ATOM    555  CA  ALA A  44       2.607   5.197  -2.305  1.00  0.00           C
ATOM    556  C   ALA A  44       1.595   5.347  -1.160  1.00  0.00           C
ATOM    557  O   ALA A  44       0.549   4.733  -1.165  1.00  0.00           O
ATOM    558  CB  ALA A  44       3.913   4.590  -1.783  1.00  0.00           C
ATOM      0  H   ALA A  44       3.863   6.853  -2.784  1.00  0.00           H   new
ATOM      0  HA  ALA A  44       2.175   4.541  -3.060  1.00  0.00           H   new
ATOM      0  HB1 ALA A  44       3.710   3.614  -1.343  1.00  0.00           H   new
ATOM      0  HB2 ALA A  44       4.617   4.477  -2.608  1.00  0.00           H   new
ATOM      0  HB3 ALA A  44       4.343   5.247  -1.027  1.00  0.00           H   new
ATOM    564  N   ILE A  45       1.894   6.149  -0.176  1.00  0.00           N
ATOM    565  CA  ILE A  45       0.943   6.318   0.960  1.00  0.00           C
ATOM    566  C   ILE A  45      -0.432   6.729   0.416  1.00  0.00           C
ATOM    567  O   ILE A  45      -1.458   6.366   0.957  1.00  0.00           O
ATOM    568  CB  ILE A  45       1.480   7.394   1.915  1.00  0.00           C
ATOM    569  CG1 ILE A  45       2.715   6.851   2.644  1.00  0.00           C
ATOM    570  CG2 ILE A  45       0.404   7.761   2.941  1.00  0.00           C
ATOM    571  CD1 ILE A  45       3.400   7.978   3.425  1.00  0.00           C
ATOM      0  H   ILE A  45       2.754   6.694  -0.109  1.00  0.00           H   new
ATOM      0  HA  ILE A  45       0.842   5.378   1.503  1.00  0.00           H   new
ATOM      0  HB  ILE A  45       1.749   8.283   1.344  1.00  0.00           H   new
ATOM      0 HG12 ILE A  45       2.423   6.051   3.324  1.00  0.00           H   new
ATOM      0 HG13 ILE A  45       3.412   6.420   1.925  1.00  0.00           H   new
ATOM      0 HG21 ILE A  45       0.790   8.525   3.616  1.00  0.00           H   new
ATOM      0 HG22 ILE A  45      -0.476   8.145   2.424  1.00  0.00           H   new
ATOM      0 HG23 ILE A  45       0.130   6.875   3.514  1.00  0.00           H   new
ATOM      0 HD11 ILE A  45       4.276   7.584   3.940  1.00  0.00           H   new
ATOM      0 HD12 ILE A  45       3.708   8.764   2.735  1.00  0.00           H   new
ATOM      0 HD13 ILE A  45       2.704   8.389   4.156  1.00  0.00           H   new
ATOM    583  N   THR A  46      -0.462   7.478  -0.651  1.00  0.00           N
ATOM    584  CA  THR A  46      -1.768   7.904  -1.228  1.00  0.00           C
ATOM    585  C   THR A  46      -2.604   6.664  -1.587  1.00  0.00           C
ATOM    586  O   THR A  46      -3.757   6.549  -1.227  1.00  0.00           O
ATOM    587  CB  THR A  46      -1.500   8.759  -2.485  1.00  0.00           C
ATOM    588  OG1 THR A  46      -1.359  10.120  -2.102  1.00  0.00           O
ATOM    589  CG2 THR A  46      -2.651   8.634  -3.494  1.00  0.00           C
ATOM      0  H   THR A  46       0.362   7.814  -1.149  1.00  0.00           H   new
ATOM      0  HA  THR A  46      -2.325   8.496  -0.502  1.00  0.00           H   new
ATOM      0  HB  THR A  46      -0.586   8.401  -2.959  1.00  0.00           H   new
ATOM      0  HG1 THR A  46      -0.419  10.306  -1.894  1.00  0.00           H   new
ATOM      0 HG21 THR A  46      -2.436   9.247  -4.369  1.00  0.00           H   new
ATOM      0 HG22 THR A  46      -2.758   7.592  -3.797  1.00  0.00           H   new
ATOM      0 HG23 THR A  46      -3.578   8.974  -3.032  1.00  0.00           H   new
ATOM    597  N   GLU A  47      -2.030   5.756  -2.320  1.00  0.00           N
ATOM    598  CA  GLU A  47      -2.779   4.539  -2.743  1.00  0.00           C
ATOM    599  C   GLU A  47      -3.206   3.729  -1.521  1.00  0.00           C
ATOM    600  O   GLU A  47      -4.319   3.254  -1.431  1.00  0.00           O
ATOM    601  CB  GLU A  47      -1.867   3.675  -3.610  1.00  0.00           C
ATOM    602  CG  GLU A  47      -1.352   4.493  -4.787  1.00  0.00           C
ATOM    603  CD  GLU A  47      -2.499   4.760  -5.765  1.00  0.00           C
ATOM    604  OE1 GLU A  47      -3.335   3.883  -5.918  1.00  0.00           O
ATOM    605  OE2 GLU A  47      -2.521   5.833  -6.345  1.00  0.00           O
ATOM      0  H   GLU A  47      -1.065   5.803  -2.648  1.00  0.00           H   new
ATOM      0  HA  GLU A  47      -3.665   4.841  -3.301  1.00  0.00           H   new
ATOM      0  HB2 GLU A  47      -1.030   3.305  -3.018  1.00  0.00           H   new
ATOM      0  HB3 GLU A  47      -2.412   2.803  -3.971  1.00  0.00           H   new
ATOM      0  HG2 GLU A  47      -0.935   5.436  -4.433  1.00  0.00           H   new
ATOM      0  HG3 GLU A  47      -0.547   3.958  -5.291  1.00  0.00           H   new
ATOM    612  N   ALA A  48      -2.318   3.551  -0.596  1.00  0.00           N
ATOM    613  CA  ALA A  48      -2.648   2.750   0.619  1.00  0.00           C
ATOM    614  C   ALA A  48      -3.877   3.328   1.338  1.00  0.00           C
ATOM    615  O   ALA A  48      -4.740   2.598   1.782  1.00  0.00           O
ATOM    616  CB  ALA A  48      -1.452   2.772   1.573  1.00  0.00           C
ATOM      0  H   ALA A  48      -1.370   3.925  -0.623  1.00  0.00           H   new
ATOM      0  HA  ALA A  48      -2.872   1.728   0.313  1.00  0.00           H   new
ATOM      0  HB1 ALA A  48      -1.686   2.188   2.463  1.00  0.00           H   new
ATOM      0  HB2 ALA A  48      -0.582   2.343   1.076  1.00  0.00           H   new
ATOM      0  HB3 ALA A  48      -1.235   3.801   1.860  1.00  0.00           H   new
ATOM    622  N   ILE A  49      -3.954   4.621   1.478  1.00  0.00           N
ATOM    623  CA  ILE A  49      -5.117   5.232   2.200  1.00  0.00           C
ATOM    624  C   ILE A  49      -6.445   4.910   1.506  1.00  0.00           C
ATOM    625  O   ILE A  49      -7.378   4.444   2.131  1.00  0.00           O
ATOM    626  CB  ILE A  49      -4.930   6.748   2.275  1.00  0.00           C
ATOM    627  CG1 ILE A  49      -3.742   7.044   3.186  1.00  0.00           C
ATOM    628  CG2 ILE A  49      -6.196   7.408   2.848  1.00  0.00           C
ATOM    629  CD1 ILE A  49      -3.369   8.525   3.079  1.00  0.00           C
ATOM      0  H   ILE A  49      -3.265   5.286   1.126  1.00  0.00           H   new
ATOM      0  HA  ILE A  49      -5.153   4.808   3.204  1.00  0.00           H   new
ATOM      0  HB  ILE A  49      -4.749   7.147   1.277  1.00  0.00           H   new
ATOM      0 HG12 ILE A  49      -3.991   6.795   4.218  1.00  0.00           H   new
ATOM      0 HG13 ILE A  49      -2.891   6.423   2.905  1.00  0.00           H   new
ATOM      0 HG21 ILE A  49      -6.053   8.487   2.897  1.00  0.00           H   new
ATOM      0 HG22 ILE A  49      -7.046   7.184   2.204  1.00  0.00           H   new
ATOM      0 HG23 ILE A  49      -6.387   7.021   3.849  1.00  0.00           H   new
ATOM      0 HD11 ILE A  49      -2.520   8.734   3.730  1.00  0.00           H   new
ATOM      0 HD12 ILE A  49      -3.102   8.759   2.049  1.00  0.00           H   new
ATOM      0 HD13 ILE A  49      -4.219   9.137   3.382  1.00  0.00           H   new
ATOM    641  N   GLN A  50      -6.558   5.174   0.237  1.00  0.00           N
ATOM    642  CA  GLN A  50      -7.849   4.899  -0.455  1.00  0.00           C
ATOM    643  C   GLN A  50      -8.176   3.411  -0.351  1.00  0.00           C
ATOM    644  O   GLN A  50      -9.324   3.021  -0.324  1.00  0.00           O
ATOM    645  CB  GLN A  50      -7.747   5.307  -1.928  1.00  0.00           C
ATOM    646  CG  GLN A  50      -6.507   4.669  -2.554  1.00  0.00           C
ATOM    647  CD  GLN A  50      -6.496   4.946  -4.058  1.00  0.00           C
ATOM    648  OE1 GLN A  50      -7.169   4.277  -4.816  1.00  0.00           O
ATOM    649  NE2 GLN A  50      -5.754   5.914  -4.521  1.00  0.00           N
ATOM      0  H   GLN A  50      -5.820   5.565  -0.349  1.00  0.00           H   new
ATOM      0  HA  GLN A  50      -8.642   5.477   0.019  1.00  0.00           H   new
ATOM      0  HB2 GLN A  50      -8.641   4.991  -2.466  1.00  0.00           H   new
ATOM      0  HB3 GLN A  50      -7.691   6.392  -2.012  1.00  0.00           H   new
ATOM      0  HG2 GLN A  50      -5.605   5.072  -2.093  1.00  0.00           H   new
ATOM      0  HG3 GLN A  50      -6.506   3.594  -2.371  1.00  0.00           H   new
ATOM      0 HE21 GLN A  50      -5.190   6.474  -3.882  1.00  0.00           H   new
ATOM      0 HE22 GLN A  50      -5.738   6.111  -5.522  1.00  0.00           H   new
ATOM    658  N   ALA A  51      -7.178   2.578  -0.278  1.00  0.00           N
ATOM    659  CA  ALA A  51      -7.443   1.118  -0.164  1.00  0.00           C
ATOM    660  C   ALA A  51      -8.086   0.832   1.196  1.00  0.00           C
ATOM    661  O   ALA A  51      -8.901  -0.057   1.337  1.00  0.00           O
ATOM    662  CB  ALA A  51      -6.124   0.341  -0.306  1.00  0.00           C
ATOM      0  H   ALA A  51      -6.193   2.843  -0.292  1.00  0.00           H   new
ATOM      0  HA  ALA A  51      -8.121   0.800  -0.956  1.00  0.00           H   new
ATOM      0  HB1 ALA A  51      -6.321  -0.728  -0.222  1.00  0.00           H   new
ATOM      0  HB2 ALA A  51      -5.680   0.553  -1.278  1.00  0.00           H   new
ATOM      0  HB3 ALA A  51      -5.435   0.646   0.482  1.00  0.00           H   new
ATOM    668  N   ASN A  52      -7.710   1.574   2.203  1.00  0.00           N
ATOM    669  CA  ASN A  52      -8.279   1.344   3.556  1.00  0.00           C
ATOM    670  C   ASN A  52      -9.759   1.750   3.604  1.00  0.00           C
ATOM    671  O   ASN A  52     -10.566   1.107   4.246  1.00  0.00           O
ATOM    672  CB  ASN A  52      -7.496   2.180   4.565  1.00  0.00           C
ATOM    673  CG  ASN A  52      -6.112   1.564   4.785  1.00  0.00           C
ATOM    674  OD1 ASN A  52      -5.049   2.220   4.401  1.00  0.00           O   flip
ATOM    675  ND2 ASN A  52      -5.993   0.475   5.311  1.00  0.00           N   flip
ATOM      0  H   ASN A  52      -7.030   2.332   2.143  1.00  0.00           H   new
ATOM      0  HA  ASN A  52      -8.204   0.283   3.796  1.00  0.00           H   new
ATOM      0  HB2 ASN A  52      -7.395   3.203   4.203  1.00  0.00           H   new
ATOM      0  HB3 ASN A  52      -8.037   2.228   5.510  1.00  0.00           H   new
ATOM      0 HD21 ASN A  52      -6.821  -0.039   5.612  1.00  0.00           H   new
ATOM      0 HD22 ASN A  52      -5.065   0.075   5.452  1.00  0.00           H   new
ATOM    682  N   ILE A  53     -10.116   2.818   2.949  1.00  0.00           N
ATOM    683  CA  ILE A  53     -11.539   3.273   2.981  1.00  0.00           C
ATOM    684  C   ILE A  53     -12.418   2.268   2.238  1.00  0.00           C
ATOM    685  O   ILE A  53     -13.547   2.017   2.611  1.00  0.00           O
ATOM    686  CB  ILE A  53     -11.645   4.643   2.309  1.00  0.00           C
ATOM    687  CG1 ILE A  53     -10.853   5.662   3.135  1.00  0.00           C
ATOM    688  CG2 ILE A  53     -13.115   5.069   2.231  1.00  0.00           C
ATOM    689  CD1 ILE A  53     -10.759   6.991   2.381  1.00  0.00           C
ATOM      0  H   ILE A  53      -9.487   3.397   2.393  1.00  0.00           H   new
ATOM      0  HA  ILE A  53     -11.875   3.346   4.015  1.00  0.00           H   new
ATOM      0  HB  ILE A  53     -11.239   4.591   1.299  1.00  0.00           H   new
ATOM      0 HG12 ILE A  53     -11.338   5.815   4.099  1.00  0.00           H   new
ATOM      0 HG13 ILE A  53      -9.853   5.279   3.338  1.00  0.00           H   new
ATOM      0 HG21 ILE A  53     -13.186   6.045   1.752  1.00  0.00           H   new
ATOM      0 HG22 ILE A  53     -13.675   4.337   1.649  1.00  0.00           H   new
ATOM      0 HG23 ILE A  53     -13.531   5.128   3.237  1.00  0.00           H   new
ATOM      0 HD11 ILE A  53     -10.194   7.708   2.977  1.00  0.00           H   new
ATOM      0 HD12 ILE A  53     -10.254   6.834   1.428  1.00  0.00           H   new
ATOM      0 HD13 ILE A  53     -11.762   7.379   2.201  1.00  0.00           H   new