USER  MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=9
USER  MOD reduce.3.24.130724 removed 265 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   1 LYS N   :NH3+   -160:sc=   -1.39   (180deg=-2.21)
USER  MOD Single : A   1 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A   2 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A   5 THR OG1 :   rot   86:sc=    1.27
USER  MOD Single : A   6 THR OG1 :   rot   84:sc=   0.358
USER  MOD Single : A   8 HIS     :     no HE2:sc=  0.0264  K(o=0.026,f=-0.7)
USER  MOD Single : A   9 ASN     :      amide:sc=   0.289  K(o=0.29,f=-7.9!)
USER  MOD Single : A  13 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  15 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  16 HIS     :     no HE2:sc=   -1.42  K(o=-1.4,f=-5.6!)
USER  MOD Single : A  22 ASN     :      amide:sc=  -0.176  K(o=-0.18,f=-0.97)
USER  MOD Single : A  25 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  26 THR OG1 :   rot   47:sc=    1.09
USER  MOD -----------------------------------------------------------------
ATOM      1  N   LYS A   1      -4.122  -1.345   8.168  1.00 75.14           N
ATOM      2  CA  LYS A   1      -2.724  -1.091   7.840  1.00 15.25           C
ATOM      3  C   LYS A   1      -2.011  -2.384   7.458  1.00 12.14           C
ATOM      4  O   LYS A   1      -0.845  -2.368   7.064  1.00  0.41           O
ATOM      5  CB  LYS A   1      -2.013  -0.435   9.026  1.00 51.40           C
ATOM      6  CG  LYS A   1      -0.728   0.279   8.645  1.00 64.12           C
ATOM      7  CD  LYS A   1      -1.006   1.646   8.044  1.00 50.43           C
ATOM      8  CE  LYS A   1       0.092   2.065   7.078  1.00 21.20           C
ATOM      9  NZ  LYS A   1      -0.462   2.534   5.778  1.00 42.31           N
ATOM      0  H1  LYS A   1      -4.663  -0.460   8.093  1.00 75.14           H   new
ATOM      0  H2  LYS A   1      -4.512  -2.046   7.506  1.00 75.14           H   new
ATOM      0  H3  LYS A   1      -4.190  -1.711   9.139  1.00 75.14           H   new
ATOM      0  HA  LYS A   1      -2.694  -0.415   6.986  1.00 15.25           H   new
ATOM      0  HB2 LYS A   1      -2.690   0.279   9.495  1.00 51.40           H   new
ATOM      0  HB3 LYS A   1      -1.788  -1.198   9.771  1.00 51.40           H   new
ATOM      0  HG2 LYS A   1      -0.097   0.390   9.527  1.00 64.12           H   new
ATOM      0  HG3 LYS A   1      -0.172  -0.327   7.930  1.00 64.12           H   new
ATOM      0  HD2 LYS A   1      -1.963   1.627   7.523  1.00 50.43           H   new
ATOM      0  HD3 LYS A   1      -1.092   2.384   8.841  1.00 50.43           H   new
ATOM      0  HE2 LYS A   1       0.687   2.860   7.527  1.00 21.20           H   new
ATOM      0  HE3 LYS A   1       0.763   1.224   6.904  1.00 21.20           H   new
ATOM      0  HZ1 LYS A   1       0.318   2.810   5.148  1.00 42.31           H   new
ATOM      0  HZ2 LYS A   1      -1.009   1.767   5.337  1.00 42.31           H   new
ATOM      0  HZ3 LYS A   1      -1.083   3.353   5.940  1.00 42.31           H   new
ATOM     23  N   TYR A   2      -2.719  -3.502   7.576  1.00 12.44           N
ATOM     24  CA  TYR A   2      -2.153  -4.804   7.244  1.00 10.52           C
ATOM     25  C   TYR A   2      -2.957  -5.481   6.139  1.00 62.05           C
ATOM     26  O   TYR A   2      -2.534  -5.519   4.984  1.00 64.23           O
ATOM     27  CB  TYR A   2      -2.116  -5.698   8.484  1.00 24.32           C
ATOM     28  CG  TYR A   2      -1.583  -7.087   8.213  1.00 71.20           C
ATOM     29  CD1 TYR A   2      -2.340  -8.213   8.512  1.00 74.34           C
ATOM     30  CD2 TYR A   2      -0.323  -7.274   7.659  1.00  3.41           C
ATOM     31  CE1 TYR A   2      -1.858  -9.484   8.266  1.00 22.32           C
ATOM     32  CE2 TYR A   2       0.167  -8.541   7.409  1.00 44.31           C
ATOM     33  CZ  TYR A   2      -0.604  -9.643   7.714  1.00  3.34           C
ATOM     34  OH  TYR A   2      -0.119 -10.907   7.468  1.00 44.30           O
ATOM      0  H   TYR A   2      -3.686  -3.533   7.899  1.00 12.44           H   new
ATOM      0  HA  TYR A   2      -1.135  -4.649   6.885  1.00 10.52           H   new
ATOM      0  HB2 TYR A   2      -1.498  -5.223   9.246  1.00 24.32           H   new
ATOM      0  HB3 TYR A   2      -3.123  -5.778   8.894  1.00 24.32           H   new
ATOM      0  HD1 TYR A   2      -3.322  -8.093   8.944  1.00 74.34           H   new
ATOM      0  HD2 TYR A   2       0.284  -6.414   7.420  1.00  3.41           H   new
ATOM      0  HE1 TYR A   2      -2.460 -10.348   8.505  1.00 22.32           H   new
ATOM      0  HE2 TYR A   2       1.149  -8.668   6.977  1.00 44.31           H   new
ATOM      0  HH  TYR A   2       0.777 -10.843   7.077  1.00 44.30           H   new
ATOM     44  N   GLU A   3      -4.119  -6.014   6.502  1.00 12.33           N
ATOM     45  CA  GLU A   3      -4.983  -6.690   5.542  1.00 62.14           C
ATOM     46  C   GLU A   3      -5.583  -5.694   4.554  1.00 41.32           C
ATOM     47  O   GLU A   3      -6.134  -6.081   3.523  1.00 62.01           O
ATOM     48  CB  GLU A   3      -6.101  -7.441   6.268  1.00 63.44           C
ATOM     49  CG  GLU A   3      -6.060  -8.945   6.056  1.00 32.52           C
ATOM     50  CD  GLU A   3      -7.124  -9.675   6.853  1.00 75.35           C
ATOM     51  OE1 GLU A   3      -8.249  -9.143   6.966  1.00 24.14           O
ATOM     52  OE2 GLU A   3      -6.834 -10.778   7.362  1.00 43.32           O
ATOM      0  H   GLU A   3      -4.484  -5.991   7.454  1.00 12.33           H   new
ATOM      0  HA  GLU A   3      -4.376  -7.405   4.987  1.00 62.14           H   new
ATOM      0  HB2 GLU A   3      -6.035  -7.231   7.336  1.00 63.44           H   new
ATOM      0  HB3 GLU A   3      -7.064  -7.060   5.927  1.00 63.44           H   new
ATOM      0  HG2 GLU A   3      -6.192  -9.163   4.996  1.00 32.52           H   new
ATOM      0  HG3 GLU A   3      -5.077  -9.322   6.339  1.00 32.52           H   new
ATOM     59  N   ILE A   4      -5.472  -4.410   4.877  1.00 13.30           N
ATOM     60  CA  ILE A   4      -6.003  -3.358   4.019  1.00 51.13           C
ATOM     61  C   ILE A   4      -5.344  -3.386   2.644  1.00 55.23           C
ATOM     62  O   ILE A   4      -5.918  -2.920   1.658  1.00  4.22           O
ATOM     63  CB  ILE A   4      -5.801  -1.965   4.644  1.00 23.12           C
ATOM     64  CG1 ILE A   4      -4.317  -1.720   4.927  1.00 52.41           C
ATOM     65  CG2 ILE A   4      -6.618  -1.834   5.921  1.00 24.20           C
ATOM     66  CD1 ILE A   4      -3.563  -1.151   3.745  1.00 20.13           C
ATOM      0  H   ILE A   4      -5.019  -4.073   5.727  1.00 13.30           H   new
ATOM      0  HA  ILE A   4      -7.071  -3.547   3.912  1.00 51.13           H   new
ATOM      0  HB  ILE A   4      -6.146  -1.211   3.936  1.00 23.12           H   new
ATOM      0 HG12 ILE A   4      -4.224  -1.036   5.770  1.00 52.41           H   new
ATOM      0 HG13 ILE A   4      -3.852  -2.660   5.226  1.00 52.41           H   new
ATOM      0 HG21 ILE A   4      -6.465  -0.844   6.351  1.00 24.20           H   new
ATOM      0 HG22 ILE A   4      -7.675  -1.971   5.692  1.00 24.20           H   new
ATOM      0 HG23 ILE A   4      -6.300  -2.593   6.636  1.00 24.20           H   new
ATOM      0 HD11 ILE A   4      -2.518  -1.003   4.017  1.00 20.13           H   new
ATOM      0 HD12 ILE A   4      -3.625  -1.844   2.906  1.00 20.13           H   new
ATOM      0 HD13 ILE A   4      -4.002  -0.195   3.459  1.00 20.13           H   new
ATOM     78  N   THR A   5      -4.136  -3.937   2.583  1.00 33.42           N
ATOM     79  CA  THR A   5      -3.399  -4.027   1.329  1.00 31.42           C
ATOM     80  C   THR A   5      -4.069  -5.000   0.366  1.00 33.40           C
ATOM     81  O   THR A   5      -3.937  -4.876  -0.852  1.00 44.10           O
ATOM     82  CB  THR A   5      -1.944  -4.475   1.564  1.00 71.32           C
ATOM     83  OG1 THR A   5      -1.548  -4.170   2.906  1.00 61.44           O
ATOM     84  CG2 THR A   5      -1.003  -3.791   0.584  1.00 63.41           C
ATOM      0  H   THR A   5      -3.647  -4.328   3.388  1.00 33.42           H   new
ATOM      0  HA  THR A   5      -3.398  -3.029   0.890  1.00 31.42           H   new
ATOM      0  HB  THR A   5      -1.888  -5.552   1.406  1.00 71.32           H   new
ATOM      0  HG1 THR A   5      -1.817  -4.901   3.501  1.00 61.44           H   new
ATOM      0 HG21 THR A   5       0.019  -4.123   0.769  1.00 63.41           H   new
ATOM      0 HG22 THR A   5      -1.289  -4.049  -0.436  1.00 63.41           H   new
ATOM      0 HG23 THR A   5      -1.063  -2.711   0.716  1.00 63.41           H   new
ATOM     92  N   THR A   6      -4.791  -5.970   0.919  1.00 73.42           N
ATOM     93  CA  THR A   6      -5.482  -6.965   0.109  1.00 73.45           C
ATOM     94  C   THR A   6      -6.742  -6.383  -0.522  1.00  1.41           C
ATOM     95  O   THR A   6      -7.738  -6.148   0.163  1.00 51.33           O
ATOM     96  CB  THR A   6      -5.865  -8.202   0.943  1.00 23.31           C
ATOM     97  OG1 THR A   6      -4.956  -8.354   2.039  1.00 11.55           O
ATOM     98  CG2 THR A   6      -5.848  -9.459   0.087  1.00 64.44           C
ATOM      0  H   THR A   6      -4.912  -6.087   1.925  1.00 73.42           H   new
ATOM      0  HA  THR A   6      -4.790  -7.266  -0.678  1.00 73.45           H   new
ATOM      0  HB  THR A   6      -6.875  -8.056   1.326  1.00 23.31           H   new
ATOM      0  HG1 THR A   6      -5.242  -7.783   2.783  1.00 11.55           H   new
ATOM      0 HG21 THR A   6      -6.122 -10.319   0.698  1.00 64.44           H   new
ATOM      0 HG22 THR A   6      -6.562  -9.353  -0.730  1.00 64.44           H   new
ATOM      0 HG23 THR A   6      -4.848  -9.608  -0.321  1.00 64.44           H   new
ATOM    106  N   ILE A   7      -6.691  -6.152  -1.829  1.00 72.14           N
ATOM    107  CA  ILE A   7      -7.830  -5.598  -2.552  1.00 23.33           C
ATOM    108  C   ILE A   7      -8.296  -6.545  -3.653  1.00  4.04           C
ATOM    109  O   ILE A   7      -9.199  -7.356  -3.448  1.00 14.04           O
ATOM    110  CB  ILE A   7      -7.490  -4.232  -3.175  1.00 52.52           C
ATOM    111  CG1 ILE A   7      -5.984  -4.117  -3.417  1.00 63.01           C
ATOM    112  CG2 ILE A   7      -7.975  -3.104  -2.276  1.00 61.11           C
ATOM    113  CD1 ILE A   7      -5.623  -3.182  -4.550  1.00 70.02           C
ATOM      0  H   ILE A   7      -5.874  -6.340  -2.410  1.00 72.14           H   new
ATOM      0  HA  ILE A   7      -8.632  -5.467  -1.825  1.00 23.33           H   new
ATOM      0  HB  ILE A   7      -8.000  -4.151  -4.135  1.00 52.52           H   new
ATOM      0 HG12 ILE A   7      -5.503  -3.769  -2.503  1.00 63.01           H   new
ATOM      0 HG13 ILE A   7      -5.582  -5.107  -3.632  1.00 63.01           H   new
ATOM      0 HG21 ILE A   7      -7.727  -2.145  -2.730  1.00 61.11           H   new
ATOM      0 HG22 ILE A   7      -9.055  -3.178  -2.150  1.00 61.11           H   new
ATOM      0 HG23 ILE A   7      -7.490  -3.181  -1.303  1.00 61.11           H   new
ATOM      0 HD11 ILE A   7      -4.539  -3.150  -4.664  1.00 70.02           H   new
ATOM      0 HD12 ILE A   7      -6.075  -3.540  -5.475  1.00 70.02           H   new
ATOM      0 HD13 ILE A   7      -5.994  -2.181  -4.328  1.00 70.02           H   new
ATOM    125  N   HIS A   8      -7.671  -6.438  -4.821  1.00 55.43           N
ATOM    126  CA  HIS A   8      -8.020  -7.286  -5.955  1.00 74.22           C
ATOM    127  C   HIS A   8      -6.808  -8.080  -6.433  1.00 50.43           C
ATOM    128  O   HIS A   8      -6.856  -8.739  -7.471  1.00 44.51           O
ATOM    129  CB  HIS A   8      -8.575  -6.440  -7.101  1.00 42.43           C
ATOM    130  CG  HIS A   8     -10.071  -6.390  -7.140  1.00 13.14           C
ATOM    131  ND1 HIS A   8     -10.856  -6.464  -6.008  1.00 40.12           N
ATOM    132  CD2 HIS A   8     -10.927  -6.271  -8.182  1.00 23.02           C
ATOM    133  CE1 HIS A   8     -12.129  -6.394  -6.353  1.00 34.51           C
ATOM    134  NE2 HIS A   8     -12.200  -6.277  -7.667  1.00  4.44           N
ATOM      0  H   HIS A   8      -6.921  -5.773  -5.007  1.00 55.43           H   new
ATOM      0  HA  HIS A   8      -8.787  -7.989  -5.629  1.00 74.22           H   new
ATOM      0  HB2 HIS A   8      -8.188  -5.425  -7.012  1.00 42.43           H   new
ATOM      0  HB3 HIS A   8      -8.208  -6.839  -8.047  1.00 42.43           H   new
ATOM      0  HD1 HIS A   8     -10.508  -6.558  -5.054  1.00 40.12           H   new
ATOM      0  HD2 HIS A   8     -10.659  -6.187  -9.225  1.00 23.02           H   new
ATOM      0  HE1 HIS A   8     -12.970  -6.427  -5.676  1.00 34.51           H   new
ATOM    142  N   ASN A   9      -5.723  -8.010  -5.669  1.00 64.24           N
ATOM    143  CA  ASN A   9      -4.497  -8.721  -6.016  1.00 52.01           C
ATOM    144  C   ASN A   9      -4.623 -10.208  -5.700  1.00 72.33           C
ATOM    145  O   ASN A   9      -3.812 -10.768  -4.962  1.00 64.41           O
ATOM    146  CB  ASN A   9      -3.307  -8.127  -5.260  1.00 50.34           C
ATOM    147  CG  ASN A   9      -3.533  -8.091  -3.761  1.00 73.23           C
ATOM    148  OD1 ASN A   9      -4.291  -7.263  -3.256  1.00 50.32           O
ATOM    149  ND2 ASN A   9      -2.875  -8.993  -3.042  1.00 41.23           N
ATOM      0  H   ASN A   9      -5.667  -7.469  -4.806  1.00 64.24           H   new
ATOM      0  HA  ASN A   9      -4.332  -8.608  -7.087  1.00 52.01           H   new
ATOM      0  HB2 ASN A   9      -2.414  -8.713  -5.476  1.00 50.34           H   new
ATOM      0  HB3 ASN A   9      -3.119  -7.116  -5.621  1.00 50.34           H   new
ATOM      0 HD21 ASN A   9      -2.988  -9.018  -2.029  1.00 41.23           H   new
ATOM      0 HD22 ASN A   9      -2.257  -9.660  -3.503  1.00 41.23           H   new
ATOM    156  N   LEU A  10      -5.645 -10.843  -6.264  1.00 40.44           N
ATOM    157  CA  LEU A  10      -5.878 -12.266  -6.044  1.00 44.11           C
ATOM    158  C   LEU A  10      -5.803 -13.039  -7.357  1.00 35.33           C
ATOM    159  O   LEU A  10      -5.558 -14.246  -7.366  1.00  4.44           O
ATOM    160  CB  LEU A  10      -7.242 -12.484  -5.387  1.00 24.02           C
ATOM    161  CG  LEU A  10      -8.462 -12.146  -6.244  1.00 63.23           C
ATOM    162  CD1 LEU A  10      -9.284 -13.396  -6.519  1.00  1.35           C
ATOM    163  CD2 LEU A  10      -9.313 -11.084  -5.565  1.00 12.40           C
ATOM      0  H   LEU A  10      -6.326 -10.395  -6.877  1.00 40.44           H   new
ATOM      0  HA  LEU A  10      -5.098 -12.639  -5.380  1.00 44.11           H   new
ATOM      0  HB2 LEU A  10      -7.314 -13.529  -5.084  1.00 24.02           H   new
ATOM      0  HB3 LEU A  10      -7.285 -11.885  -4.478  1.00 24.02           H   new
ATOM      0  HG  LEU A  10      -8.114 -11.748  -7.197  1.00 63.23           H   new
ATOM      0 HD11 LEU A  10     -10.148 -13.136  -7.130  1.00  1.35           H   new
ATOM      0 HD12 LEU A  10      -8.671 -14.125  -7.049  1.00  1.35           H   new
ATOM      0 HD13 LEU A  10      -9.623 -13.824  -5.575  1.00  1.35           H   new
ATOM      0 HD21 LEU A  10     -10.177 -10.856  -6.189  1.00 12.40           H   new
ATOM      0 HD22 LEU A  10      -9.652 -11.453  -4.597  1.00 12.40           H   new
ATOM      0 HD23 LEU A  10      -8.721 -10.180  -5.421  1.00 12.40           H   new
ATOM    175  N   PHE A  11      -6.016 -12.336  -8.464  1.00 64.54           N
ATOM    176  CA  PHE A  11      -5.972 -12.957  -9.783  1.00 44.45           C
ATOM    177  C   PHE A  11      -4.682 -13.751  -9.968  1.00 72.31           C
ATOM    178  O   PHE A  11      -4.655 -14.754 -10.682  1.00 51.33           O
ATOM    179  CB  PHE A  11      -6.088 -11.891 -10.875  1.00 72.25           C
ATOM    180  CG  PHE A  11      -5.250 -10.672 -10.615  1.00 72.14           C
ATOM    181  CD1 PHE A  11      -5.811  -9.537 -10.052  1.00 63.12           C
ATOM    182  CD2 PHE A  11      -3.902 -10.661 -10.935  1.00 21.13           C
ATOM    183  CE1 PHE A  11      -5.042  -8.414  -9.811  1.00 53.32           C
ATOM    184  CE2 PHE A  11      -3.129  -9.541 -10.696  1.00  5.13           C
ATOM    185  CZ  PHE A  11      -3.700  -8.415 -10.134  1.00 64.44           C
ATOM      0  H   PHE A  11      -6.221 -11.337  -8.474  1.00 64.54           H   new
ATOM      0  HA  PHE A  11      -6.815 -13.643  -9.862  1.00 44.45           H   new
ATOM      0  HB2 PHE A  11      -5.794 -12.327 -11.830  1.00 72.25           H   new
ATOM      0  HB3 PHE A  11      -7.132 -11.591 -10.969  1.00 72.25           H   new
ATOM      0  HD1 PHE A  11      -6.861  -9.530  -9.799  1.00 63.12           H   new
ATOM      0  HD2 PHE A  11      -3.451 -11.537 -11.376  1.00 21.13           H   new
ATOM      0  HE1 PHE A  11      -5.491  -7.536  -9.370  1.00 53.32           H   new
ATOM      0  HE2 PHE A  11      -2.079  -9.546 -10.948  1.00  5.13           H   new
ATOM      0  HZ  PHE A  11      -3.098  -7.538  -9.948  1.00 64.44           H   new
ATOM    195  N   ARG A  12      -3.615 -13.296  -9.320  1.00 14.44           N
ATOM    196  CA  ARG A  12      -2.322 -13.962  -9.413  1.00 71.11           C
ATOM    197  C   ARG A  12      -1.898 -14.519  -8.057  1.00 72.12           C
ATOM    198  O   ARG A  12      -0.742 -14.389  -7.654  1.00 13.32           O
ATOM    199  CB  ARG A  12      -1.260 -12.991  -9.932  1.00 12.31           C
ATOM    200  CG  ARG A  12      -1.016 -11.807  -9.011  1.00  0.43           C
ATOM    201  CD  ARG A  12       0.408 -11.800  -8.478  1.00 44.52           C
ATOM    202  NE  ARG A  12       1.304 -11.014  -9.322  1.00 45.04           N
ATOM    203  CZ  ARG A  12       2.512 -10.615  -8.940  1.00 44.22           C
ATOM    204  NH1 ARG A  12       2.966 -10.926  -7.734  1.00 64.51           N
ATOM    205  NH2 ARG A  12       3.269  -9.903  -9.765  1.00 42.24           N
ATOM      0  H   ARG A  12      -3.621 -12.468  -8.724  1.00 14.44           H   new
ATOM      0  HA  ARG A  12      -2.419 -14.792 -10.113  1.00 71.11           H   new
ATOM      0  HB2 ARG A  12      -0.323 -13.531 -10.072  1.00 12.31           H   new
ATOM      0  HB3 ARG A  12      -1.565 -12.622 -10.911  1.00 12.31           H   new
ATOM      0  HG2 ARG A  12      -1.208 -10.879  -9.550  1.00  0.43           H   new
ATOM      0  HG3 ARG A  12      -1.717 -11.842  -8.177  1.00  0.43           H   new
ATOM      0  HD2 ARG A  12       0.414 -11.395  -7.466  1.00 44.52           H   new
ATOM      0  HD3 ARG A  12       0.776 -12.824  -8.413  1.00 44.52           H   new
ATOM      0  HE  ARG A  12       0.985 -10.757 -10.256  1.00 45.04           H   new
ATOM      0 HH11 ARG A  12       2.387 -11.473  -7.097  1.00 64.51           H   new
ATOM      0 HH12 ARG A  12       3.894 -10.618  -7.443  1.00 64.51           H   new
ATOM      0 HH21 ARG A  12       2.923  -9.661 -10.694  1.00 42.24           H   new
ATOM      0 HH22 ARG A  12       4.196  -9.597  -9.470  1.00 42.24           H   new
ATOM    219  N   LYS A  13      -2.842 -15.140  -7.358  1.00 23.25           N
ATOM    220  CA  LYS A  13      -2.568 -15.718  -6.047  1.00 64.33           C
ATOM    221  C   LYS A  13      -1.352 -16.638  -6.102  1.00  2.21           C
ATOM    222  O   LYS A  13      -0.264 -16.273  -5.654  1.00 11.04           O
ATOM    223  CB  LYS A  13      -3.786 -16.496  -5.545  1.00 53.11           C
ATOM    224  CG  LYS A  13      -3.503 -17.344  -4.317  1.00 40.13           C
ATOM    225  CD  LYS A  13      -2.938 -16.508  -3.181  1.00 20.52           C
ATOM    226  CE  LYS A  13      -1.523 -16.938  -2.823  1.00 52.34           C
ATOM    227  NZ  LYS A  13      -1.499 -17.836  -1.636  1.00 75.31           N
ATOM      0  H   LYS A  13      -3.804 -15.256  -7.677  1.00 23.25           H   new
ATOM      0  HA  LYS A  13      -2.355 -14.903  -5.356  1.00 64.33           H   new
ATOM      0  HB2 LYS A  13      -4.586 -15.792  -5.314  1.00 53.11           H   new
ATOM      0  HB3 LYS A  13      -4.150 -17.141  -6.345  1.00 53.11           H   new
ATOM      0  HG2 LYS A  13      -4.422 -17.831  -3.990  1.00 40.13           H   new
ATOM      0  HG3 LYS A  13      -2.798 -18.134  -4.574  1.00 40.13           H   new
ATOM      0  HD2 LYS A  13      -2.938 -15.456  -3.467  1.00 20.52           H   new
ATOM      0  HD3 LYS A  13      -3.580 -16.601  -2.305  1.00 20.52           H   new
ATOM      0  HE2 LYS A  13      -1.073 -17.449  -3.674  1.00 52.34           H   new
ATOM      0  HE3 LYS A  13      -0.915 -16.056  -2.623  1.00 52.34           H   new
ATOM      0  HZ1 LYS A  13      -0.517 -18.106  -1.425  1.00 75.31           H   new
ATOM      0  HZ2 LYS A  13      -1.905 -17.340  -0.817  1.00 75.31           H   new
ATOM      0  HZ3 LYS A  13      -2.058 -18.690  -1.836  1.00 75.31           H   new
ATOM    241  N   LEU A  14      -1.542 -17.831  -6.655  1.00 14.35           N
ATOM    242  CA  LEU A  14      -0.460 -18.802  -6.769  1.00 74.43           C
ATOM    243  C   LEU A  14      -0.211 -19.170  -8.229  1.00  2.34           C
ATOM    244  O   LEU A  14       0.687 -19.953  -8.539  1.00 21.44           O
ATOM    245  CB  LEU A  14      -0.791 -20.060  -5.964  1.00 63.42           C
ATOM    246  CG  LEU A  14      -1.898 -20.949  -6.532  1.00 31.03           C
ATOM    247  CD1 LEU A  14      -1.392 -22.369  -6.735  1.00 41.54           C
ATOM    248  CD2 LEU A  14      -3.112 -20.940  -5.614  1.00 21.21           C
ATOM      0  H   LEU A  14      -2.435 -18.149  -7.031  1.00 14.35           H   new
ATOM      0  HA  LEU A  14       0.446 -18.349  -6.367  1.00 74.43           H   new
ATOM      0  HB2 LEU A  14       0.116 -20.657  -5.872  1.00 63.42           H   new
ATOM      0  HB3 LEU A  14      -1.077 -19.758  -4.956  1.00 63.42           H   new
ATOM      0  HG  LEU A  14      -2.196 -20.550  -7.501  1.00 31.03           H   new
ATOM      0 HD11 LEU A  14      -2.194 -22.987  -7.140  1.00 41.54           H   new
ATOM      0 HD12 LEU A  14      -0.554 -22.360  -7.432  1.00 41.54           H   new
ATOM      0 HD13 LEU A  14      -1.065 -22.779  -5.779  1.00 41.54           H   new
ATOM      0 HD21 LEU A  14      -3.890 -21.578  -6.033  1.00 21.21           H   new
ATOM      0 HD22 LEU A  14      -2.827 -21.314  -4.631  1.00 21.21           H   new
ATOM      0 HD23 LEU A  14      -3.489 -19.922  -5.520  1.00 21.21           H   new
ATOM    260  N   THR A  15      -1.010 -18.597  -9.123  1.00 14.41           N
ATOM    261  CA  THR A  15      -0.876 -18.862 -10.550  1.00 31.45           C
ATOM    262  C   THR A  15       0.151 -17.934 -11.188  1.00 12.25           C
ATOM    263  O   THR A  15       0.557 -18.134 -12.333  1.00 31.03           O
ATOM    264  CB  THR A  15      -2.222 -18.700 -11.280  1.00 72.14           C
ATOM    265  OG1 THR A  15      -2.509 -17.311 -11.475  1.00 55.13           O
ATOM    266  CG2 THR A  15      -3.348 -19.350 -10.491  1.00 34.11           C
ATOM      0  H   THR A  15      -1.758 -17.946  -8.884  1.00 14.41           H   new
ATOM      0  HA  THR A  15      -0.539 -19.894 -10.649  1.00 31.45           H   new
ATOM      0  HB  THR A  15      -2.147 -19.195 -12.248  1.00 72.14           H   new
ATOM      0  HG1 THR A  15      -3.366 -17.216 -11.941  1.00 55.13           H   new
ATOM      0 HG21 THR A  15      -4.289 -19.222 -11.027  1.00 34.11           H   new
ATOM      0 HG22 THR A  15      -3.141 -20.413 -10.370  1.00 34.11           H   new
ATOM      0 HG23 THR A  15      -3.423 -18.881  -9.510  1.00 34.11           H   new
ATOM    274  N   HIS A  16       0.568 -16.917 -10.439  1.00 62.34           N
ATOM    275  CA  HIS A  16       1.550 -15.958 -10.932  1.00 51.24           C
ATOM    276  C   HIS A  16       2.674 -16.667 -11.681  1.00 62.02           C
ATOM    277  O   HIS A  16       3.574 -17.243 -11.069  1.00 74.42           O
ATOM    278  CB  HIS A  16       2.127 -15.145  -9.773  1.00 31.21           C
ATOM    279  CG  HIS A  16       2.292 -15.935  -8.511  1.00 74.43           C
ATOM    280  ND1 HIS A  16       2.729 -17.243  -8.494  1.00  0.02           N
ATOM    281  CD2 HIS A  16       2.076 -15.595  -7.219  1.00 62.00           C
ATOM    282  CE1 HIS A  16       2.774 -17.673  -7.246  1.00 31.33           C
ATOM    283  NE2 HIS A  16       2.383 -16.692  -6.452  1.00 61.24           N
ATOM      0  H   HIS A  16       0.241 -16.736  -9.490  1.00 62.34           H   new
ATOM      0  HA  HIS A  16       1.046 -15.283 -11.624  1.00 51.24           H   new
ATOM      0  HB2 HIS A  16       3.096 -14.742 -10.069  1.00 31.21           H   new
ATOM      0  HB3 HIS A  16       1.475 -14.294  -9.577  1.00 31.21           H   new
ATOM      0  HD1 HIS A  16       2.978 -17.792  -9.316  1.00  0.02           H   new
ATOM      0  HD2 HIS A  16       1.727 -14.639  -6.858  1.00 62.00           H   new
ATOM      0  HE1 HIS A  16       3.079 -18.659  -6.928  1.00 31.33           H   new
ATOM    291  N   ARG A  17       2.616 -16.621 -13.008  1.00 71.02           N
ATOM    292  CA  ARG A  17       3.628 -17.261 -13.840  1.00 50.20           C
ATOM    293  C   ARG A  17       4.328 -16.237 -14.729  1.00 12.21           C
ATOM    294  O   ARG A  17       5.516 -16.367 -15.027  1.00 52.33           O
ATOM    295  CB  ARG A  17       2.993 -18.352 -14.704  1.00 23.55           C
ATOM    296  CG  ARG A  17       3.320 -19.763 -14.240  1.00 12.43           C
ATOM    297  CD  ARG A  17       2.067 -20.619 -14.136  1.00  3.24           C
ATOM    298  NE  ARG A  17       2.374 -22.046 -14.188  1.00 51.30           N
ATOM    299  CZ  ARG A  17       1.529 -22.994 -13.798  1.00  1.32           C
ATOM    300  NH1 ARG A  17       0.332 -22.668 -13.329  1.00 42.15           N
ATOM    301  NH2 ARG A  17       1.881 -24.271 -13.876  1.00 52.32           N
ATOM      0  H   ARG A  17       1.879 -16.147 -13.530  1.00 71.02           H   new
ATOM      0  HA  ARG A  17       4.370 -17.714 -13.182  1.00 50.20           H   new
ATOM      0  HB2 ARG A  17       1.911 -18.220 -14.704  1.00 23.55           H   new
ATOM      0  HB3 ARG A  17       3.329 -18.230 -15.734  1.00 23.55           H   new
ATOM      0  HG2 ARG A  17       4.020 -20.224 -14.937  1.00 12.43           H   new
ATOM      0  HG3 ARG A  17       3.816 -19.723 -13.270  1.00 12.43           H   new
ATOM      0  HD2 ARG A  17       1.550 -20.393 -13.203  1.00  3.24           H   new
ATOM      0  HD3 ARG A  17       1.386 -20.365 -14.948  1.00  3.24           H   new
ATOM      0  HE  ARG A  17       3.287 -22.330 -14.543  1.00 51.30           H   new
ATOM      0 HH11 ARG A  17       0.058 -21.687 -13.267  1.00 42.15           H   new
ATOM      0 HH12 ARG A  17      -0.315 -23.398 -13.030  1.00 42.15           H   new
ATOM      0 HH21 ARG A  17       2.801 -24.525 -14.236  1.00 52.32           H   new
ATOM      0 HH22 ARG A  17       1.232 -24.998 -13.576  1.00 52.32           H   new
ATOM    315  N   LEU A  18       3.584 -15.220 -15.149  1.00 41.42           N
ATOM    316  CA  LEU A  18       4.133 -14.173 -16.005  1.00 15.13           C
ATOM    317  C   LEU A  18       4.025 -12.808 -15.332  1.00 64.11           C
ATOM    318  O   LEU A  18       4.881 -11.943 -15.520  1.00 52.21           O
ATOM    319  CB  LEU A  18       3.402 -14.151 -17.349  1.00  3.44           C
ATOM    320  CG  LEU A  18       3.899 -15.145 -18.399  1.00 42.50           C
ATOM    321  CD1 LEU A  18       2.787 -16.103 -18.796  1.00 13.51           C
ATOM    322  CD2 LEU A  18       4.432 -14.409 -19.620  1.00  4.44           C
ATOM      0  H   LEU A  18       2.600 -15.098 -14.911  1.00 41.42           H   new
ATOM      0  HA  LEU A  18       5.187 -14.392 -16.175  1.00 15.13           H   new
ATOM      0  HB2 LEU A  18       2.344 -14.343 -17.168  1.00  3.44           H   new
ATOM      0  HB3 LEU A  18       3.477 -13.146 -17.765  1.00  3.44           H   new
ATOM      0  HG  LEU A  18       4.713 -15.726 -17.965  1.00 42.50           H   new
ATOM      0 HD11 LEU A  18       3.159 -16.803 -19.544  1.00 13.51           H   new
ATOM      0 HD12 LEU A  18       2.451 -16.655 -17.918  1.00 13.51           H   new
ATOM      0 HD13 LEU A  18       1.952 -15.539 -19.211  1.00 13.51           H   new
ATOM      0 HD21 LEU A  18       4.781 -15.132 -20.357  1.00  4.44           H   new
ATOM      0 HD22 LEU A  18       3.637 -13.803 -20.055  1.00  4.44           H   new
ATOM      0 HD23 LEU A  18       5.259 -13.764 -19.324  1.00  4.44           H   new
ATOM    334  N   PHE A  19       2.970 -12.623 -14.546  1.00  2.03           N
ATOM    335  CA  PHE A  19       2.752 -11.364 -13.844  1.00 14.35           C
ATOM    336  C   PHE A  19       3.844 -11.123 -12.806  1.00  3.30           C
ATOM    337  O   PHE A  19       4.144  -9.980 -12.458  1.00 35.41           O
ATOM    338  CB  PHE A  19       1.380 -11.365 -13.165  1.00 40.14           C
ATOM    339  CG  PHE A  19       0.335 -10.600 -13.926  1.00 12.13           C
ATOM    340  CD1 PHE A  19      -0.399  -9.601 -13.307  1.00  1.24           C
ATOM    341  CD2 PHE A  19       0.085 -10.880 -15.260  1.00 25.34           C
ATOM    342  CE1 PHE A  19      -1.361  -8.895 -14.003  1.00 53.35           C
ATOM    343  CE2 PHE A  19      -0.875 -10.177 -15.962  1.00 33.34           C
ATOM    344  CZ  PHE A  19      -1.600  -9.184 -15.333  1.00 34.15           C
ATOM      0  H   PHE A  19       2.253 -13.329 -14.379  1.00  2.03           H   new
ATOM      0  HA  PHE A  19       2.787 -10.558 -14.577  1.00 14.35           H   new
ATOM      0  HB2 PHE A  19       1.046 -12.395 -13.040  1.00 40.14           H   new
ATOM      0  HB3 PHE A  19       1.477 -10.938 -12.167  1.00 40.14           H   new
ATOM      0  HD1 PHE A  19      -0.217  -9.371 -12.268  1.00  1.24           H   new
ATOM      0  HD2 PHE A  19       0.647 -11.657 -15.757  1.00 25.34           H   new
ATOM      0  HE1 PHE A  19      -1.925  -8.118 -13.508  1.00 53.35           H   new
ATOM      0  HE2 PHE A  19      -1.058 -10.404 -17.002  1.00 33.34           H   new
ATOM      0  HZ  PHE A  19      -2.352  -8.634 -15.879  1.00 34.15           H   new
ATOM    354  N   ARG A  20       4.436 -12.207 -12.316  1.00 32.24           N
ATOM    355  CA  ARG A  20       5.494 -12.115 -11.317  1.00 13.32           C
ATOM    356  C   ARG A  20       6.860 -11.980 -11.983  1.00 30.42           C
ATOM    357  O   ARG A  20       7.774 -11.369 -11.429  1.00 52.44           O
ATOM    358  CB  ARG A  20       5.476 -13.346 -10.409  1.00 11.33           C
ATOM    359  CG  ARG A  20       5.657 -14.657 -11.156  1.00 42.32           C
ATOM    360  CD  ARG A  20       7.030 -15.258 -10.901  1.00 21.54           C
ATOM    361  NE  ARG A  20       7.002 -16.718 -10.933  1.00 65.32           N
ATOM    362  CZ  ARG A  20       6.545 -17.467  -9.936  1.00 71.20           C
ATOM    363  NH1 ARG A  20       6.079 -16.896  -8.834  1.00 34.41           N
ATOM    364  NH2 ARG A  20       6.553 -18.790 -10.040  1.00 55.14           N
ATOM      0  H   ARG A  20       4.201 -13.160 -12.595  1.00 32.24           H   new
ATOM      0  HA  ARG A  20       5.314 -11.225 -10.714  1.00 13.32           H   new
ATOM      0  HB2 ARG A  20       6.267 -13.250  -9.665  1.00 11.33           H   new
ATOM      0  HB3 ARG A  20       4.530 -13.374  -9.868  1.00 11.33           H   new
ATOM      0  HG2 ARG A  20       4.886 -15.363 -10.846  1.00 42.32           H   new
ATOM      0  HG3 ARG A  20       5.525 -14.489 -12.225  1.00 42.32           H   new
ATOM      0  HD2 ARG A  20       7.731 -14.892 -11.651  1.00 21.54           H   new
ATOM      0  HD3 ARG A  20       7.398 -14.923  -9.931  1.00 21.54           H   new
ATOM      0  HE  ARG A  20       7.353 -17.188 -11.767  1.00 65.32           H   new
ATOM      0 HH11 ARG A  20       6.071 -15.879  -8.751  1.00 34.41           H   new
ATOM      0 HH12 ARG A  20       5.728 -17.473  -8.070  1.00 34.41           H   new
ATOM      0 HH21 ARG A  20       6.910 -19.233 -10.886  1.00 55.14           H   new
ATOM      0 HH22 ARG A  20       6.202 -19.364  -9.273  1.00 55.14           H   new
ATOM    378  N   ARG A  21       6.992 -12.557 -13.173  1.00 55.31           N
ATOM    379  CA  ARG A  21       8.246 -12.503 -13.914  1.00  2.15           C
ATOM    380  C   ARG A  21       8.441 -11.132 -14.554  1.00  4.43           C
ATOM    381  O   ARG A  21       9.568 -10.660 -14.702  1.00 53.24           O
ATOM    382  CB  ARG A  21       8.275 -13.589 -14.990  1.00 74.05           C
ATOM    383  CG  ARG A  21       9.548 -13.591 -15.820  1.00 22.20           C
ATOM    384  CD  ARG A  21       9.959 -15.003 -16.206  1.00 23.52           C
ATOM    385  NE  ARG A  21       9.174 -15.515 -17.326  1.00 25.30           N
ATOM    386  CZ  ARG A  21       9.538 -16.560 -18.062  1.00  1.14           C
ATOM    387  NH1 ARG A  21      10.668 -17.201 -17.796  1.00 41.43           N
ATOM    388  NH2 ARG A  21       8.770 -16.966 -19.065  1.00  3.03           N
ATOM      0  H   ARG A  21       6.245 -13.067 -13.645  1.00 55.31           H   new
ATOM      0  HA  ARG A  21       9.061 -12.676 -13.211  1.00  2.15           H   new
ATOM      0  HB2 ARG A  21       8.160 -14.563 -14.514  1.00 74.05           H   new
ATOM      0  HB3 ARG A  21       7.420 -13.455 -15.652  1.00 74.05           H   new
ATOM      0  HG2 ARG A  21       9.397 -12.996 -16.721  1.00 22.20           H   new
ATOM      0  HG3 ARG A  21      10.352 -13.118 -15.256  1.00 22.20           H   new
ATOM      0  HD2 ARG A  21      11.017 -15.013 -16.470  1.00 23.52           H   new
ATOM      0  HD3 ARG A  21       9.838 -15.663 -15.347  1.00 23.52           H   new
ATOM      0  HE  ARG A  21       8.298 -15.045 -17.556  1.00 25.30           H   new
ATOM      0 HH11 ARG A  21      11.260 -16.892 -17.025  1.00 41.43           H   new
ATOM      0 HH12 ARG A  21      10.945 -18.003 -18.362  1.00 41.43           H   new
ATOM      0 HH21 ARG A  21       7.900 -16.476 -19.272  1.00  3.03           H   new
ATOM      0 HH22 ARG A  21       9.050 -17.768 -19.629  1.00  3.03           H   new
ATOM    402  N   ASN A  22       7.336 -10.498 -14.931  1.00 52.30           N
ATOM    403  CA  ASN A  22       7.385  -9.181 -15.556  1.00 63.13           C
ATOM    404  C   ASN A  22       7.477  -8.082 -14.503  1.00 13.54           C
ATOM    405  O   ASN A  22       8.100  -7.043 -14.726  1.00 31.33           O
ATOM    406  CB  ASN A  22       6.150  -8.962 -16.432  1.00 34.53           C
ATOM    407  CG  ASN A  22       6.490  -8.906 -17.908  1.00 51.05           C
ATOM    408  OD1 ASN A  22       7.550  -8.413 -18.294  1.00 62.21           O
ATOM    409  ND2 ASN A  22       5.589  -9.412 -18.743  1.00  0.41           N
ATOM      0  H   ASN A  22       6.395 -10.875 -14.815  1.00 52.30           H   new
ATOM      0  HA  ASN A  22       8.277  -9.136 -16.181  1.00 63.13           H   new
ATOM      0  HB2 ASN A  22       5.436  -9.767 -16.257  1.00 34.53           H   new
ATOM      0  HB3 ASN A  22       5.661  -8.033 -16.139  1.00 34.53           H   new
ATOM      0 HD21 ASN A  22       5.763  -9.402 -19.748  1.00  0.41           H   new
ATOM      0 HD22 ASN A  22       4.724  -9.811 -18.379  1.00  0.41           H   new
ATOM    416  N   PHE A  23       6.852  -8.317 -13.354  1.00 30.23           N
ATOM    417  CA  PHE A  23       6.862  -7.347 -12.265  1.00 22.11           C
ATOM    418  C   PHE A  23       8.291  -7.018 -11.843  1.00 42.12           C
ATOM    419  O   PHE A  23       8.563  -5.936 -11.324  1.00 23.54           O
ATOM    420  CB  PHE A  23       6.076  -7.885 -11.067  1.00 40.43           C
ATOM    421  CG  PHE A  23       4.746  -7.215 -10.874  1.00 54.22           C
ATOM    422  CD1 PHE A  23       4.347  -6.786  -9.618  1.00 73.05           C
ATOM    423  CD2 PHE A  23       3.894  -7.014 -11.948  1.00 73.34           C
ATOM    424  CE1 PHE A  23       3.123  -6.169  -9.437  1.00 42.13           C
ATOM    425  CE2 PHE A  23       2.669  -6.398 -11.773  1.00 43.54           C
ATOM    426  CZ  PHE A  23       2.283  -5.975 -10.516  1.00 61.42           C
ATOM      0  H   PHE A  23       6.332  -9.171 -13.153  1.00 30.23           H   new
ATOM      0  HA  PHE A  23       6.387  -6.433 -12.622  1.00 22.11           H   new
ATOM      0  HB2 PHE A  23       5.919  -8.956 -11.197  1.00 40.43           H   new
ATOM      0  HB3 PHE A  23       6.673  -7.757 -10.164  1.00 40.43           H   new
ATOM      0  HD1 PHE A  23       5.000  -6.935  -8.771  1.00 73.05           H   new
ATOM      0  HD2 PHE A  23       4.190  -7.342 -12.933  1.00 73.34           H   new
ATOM      0  HE1 PHE A  23       2.824  -5.839  -8.453  1.00 42.13           H   new
ATOM      0  HE2 PHE A  23       2.014  -6.248 -12.619  1.00 43.54           H   new
ATOM      0  HZ  PHE A  23       1.326  -5.494 -10.377  1.00 61.42           H   new
ATOM    436  N   GLY A  24       9.201  -7.960 -12.071  1.00 22.31           N
ATOM    437  CA  GLY A  24      10.591  -7.753 -11.708  1.00 50.53           C
ATOM    438  C   GLY A  24      11.159  -6.477 -12.298  1.00  5.13           C
ATOM    439  O   GLY A  24      12.084  -5.886 -11.740  1.00 43.52           O
ATOM      0  H   GLY A  24       9.000  -8.863 -12.501  1.00 22.31           H   new
ATOM      0  HA2 GLY A  24      10.679  -7.718 -10.622  1.00 50.53           H   new
ATOM      0  HA3 GLY A  24      11.183  -8.602 -12.049  1.00 50.53           H   new
ATOM    443  N   TYR A  25      10.607  -6.052 -13.429  1.00 21.43           N
ATOM    444  CA  TYR A  25      11.068  -4.841 -14.097  1.00 12.14           C
ATOM    445  C   TYR A  25      10.541  -3.596 -13.390  1.00  2.50           C
ATOM    446  O   TYR A  25      11.174  -2.539 -13.412  1.00 23.44           O
ATOM    447  CB  TYR A  25      10.621  -4.838 -15.559  1.00 73.44           C
ATOM    448  CG  TYR A  25      11.590  -5.532 -16.490  1.00 51.40           C
ATOM    449  CD1 TYR A  25      12.160  -6.752 -16.148  1.00  1.35           C
ATOM    450  CD2 TYR A  25      11.936  -4.966 -17.711  1.00 24.50           C
ATOM    451  CE1 TYR A  25      13.047  -7.389 -16.994  1.00 53.52           C
ATOM    452  CE2 TYR A  25      12.821  -5.597 -18.565  1.00 10.15           C
ATOM    453  CZ  TYR A  25      13.374  -6.807 -18.202  1.00 35.43           C
ATOM    454  OH  TYR A  25      14.256  -7.438 -19.049  1.00  2.15           O
ATOM      0  H   TYR A  25       9.839  -6.528 -13.902  1.00 21.43           H   new
ATOM      0  HA  TYR A  25      12.157  -4.827 -14.057  1.00 12.14           H   new
ATOM      0  HB2 TYR A  25       9.648  -5.323 -15.634  1.00 73.44           H   new
ATOM      0  HB3 TYR A  25      10.489  -3.807 -15.888  1.00 73.44           H   new
ATOM      0  HD1 TYR A  25      11.905  -7.210 -15.204  1.00  1.35           H   new
ATOM      0  HD2 TYR A  25      11.506  -4.017 -17.997  1.00 24.50           H   new
ATOM      0  HE1 TYR A  25      13.482  -8.336 -16.712  1.00 53.52           H   new
ATOM      0  HE2 TYR A  25      13.078  -5.145 -19.511  1.00 10.15           H   new
ATOM      0  HH  TYR A  25      14.378  -6.897 -19.857  1.00  2.15           H   new
ATOM    464  N   THR A  26       9.377  -3.727 -12.762  1.00 74.13           N
ATOM    465  CA  THR A  26       8.763  -2.614 -12.049  1.00 72.20           C
ATOM    466  C   THR A  26       9.253  -2.548 -10.607  1.00 41.22           C
ATOM    467  O   THR A  26       9.359  -1.467 -10.026  1.00 23.12           O
ATOM    468  CB  THR A  26       7.226  -2.724 -12.052  1.00 44.33           C
ATOM    469  OG1 THR A  26       6.833  -4.096 -12.166  1.00 23.04           O
ATOM    470  CG2 THR A  26       6.629  -1.924 -13.200  1.00  2.50           C
ATOM      0  H   THR A  26       8.840  -4.594 -12.733  1.00 74.13           H   new
ATOM      0  HA  THR A  26       9.056  -1.704 -12.572  1.00 72.20           H   new
ATOM      0  HB  THR A  26       6.853  -2.316 -11.112  1.00 44.33           H   new
ATOM      0  HG1 THR A  26       7.353  -4.639 -11.537  1.00 23.04           H   new
ATOM      0 HG21 THR A  26       5.543  -2.017 -13.182  1.00  2.50           H   new
ATOM      0 HG22 THR A  26       6.906  -0.875 -13.095  1.00  2.50           H   new
ATOM      0 HG23 THR A  26       7.010  -2.307 -14.147  1.00  2.50           H   new
ATOM    478  N   LEU A  27       9.552  -3.709 -10.035  1.00 15.22           N
ATOM    479  CA  LEU A  27      10.032  -3.783  -8.659  1.00 41.44           C
ATOM    480  C   LEU A  27      11.505  -4.176  -8.618  1.00  4.43           C
ATOM    481  O   LEU A  27      11.970  -4.778  -7.650  1.00  2.33           O
ATOM    482  CB  LEU A  27       9.201  -4.789  -7.861  1.00 63.03           C
ATOM    483  CG  LEU A  27       7.841  -4.295  -7.367  1.00 42.34           C
ATOM    484  CD1 LEU A  27       7.001  -5.458  -6.865  1.00 75.45           C
ATOM    485  CD2 LEU A  27       8.018  -3.251  -6.274  1.00 31.31           C
ATOM      0  H   LEU A  27       9.471  -4.612 -10.502  1.00 15.22           H   new
ATOM      0  HA  LEU A  27       9.925  -2.796  -8.209  1.00 41.44           H   new
ATOM      0  HB2 LEU A  27       9.041  -5.671  -8.481  1.00 63.03           H   new
ATOM      0  HB3 LEU A  27       9.785  -5.108  -6.998  1.00 63.03           H   new
ATOM      0  HG  LEU A  27       7.318  -3.831  -8.204  1.00 42.34           H   new
ATOM      0 HD11 LEU A  27       6.037  -5.087  -6.517  1.00 75.45           H   new
ATOM      0 HD12 LEU A  27       6.845  -6.171  -7.675  1.00 75.45           H   new
ATOM      0 HD13 LEU A  27       7.518  -5.952  -6.042  1.00 75.45           H   new
ATOM      0 HD21 LEU A  27       7.040  -2.911  -5.934  1.00 31.31           H   new
ATOM      0 HD22 LEU A  27       8.561  -3.689  -5.437  1.00 31.31           H   new
ATOM      0 HD23 LEU A  27       8.580  -2.404  -6.667  1.00 31.31           H   new
ATOM    497  N   ARG A  28      12.235  -3.829  -9.673  1.00 70.11           N
ATOM    498  CA  ARG A  28      13.656  -4.145  -9.757  1.00 11.35           C
ATOM    499  C   ARG A  28      14.405  -3.603  -8.543  1.00  4.41           C
ATOM    500  O   ARG A  28      15.573  -3.225  -8.640  1.00 62.41           O
ATOM    501  CB  ARG A  28      14.254  -3.565 -11.040  1.00 23.24           C
ATOM    502  CG  ARG A  28      14.171  -2.050 -11.120  1.00 50.31           C
ATOM    503  CD  ARG A  28      14.940  -1.512 -12.317  1.00 72.30           C
ATOM    504  NE  ARG A  28      15.907  -0.488 -11.931  1.00 53.15           N
ATOM    505  CZ  ARG A  28      16.890  -0.072 -12.721  1.00 44.40           C
ATOM    506  NH1 ARG A  28      17.036  -0.589 -13.933  1.00  3.00           N
ATOM    507  NH2 ARG A  28      17.731   0.865 -12.299  1.00 35.22           N
ATOM      0  H   ARG A  28      11.866  -3.329 -10.482  1.00 70.11           H   new
ATOM      0  HA  ARG A  28      13.762  -5.230  -9.773  1.00 11.35           H   new
ATOM      0  HB2 ARG A  28      15.299  -3.867 -11.113  1.00 23.24           H   new
ATOM      0  HB3 ARG A  28      13.737  -3.995 -11.898  1.00 23.24           H   new
ATOM      0  HG2 ARG A  28      13.127  -1.745 -11.190  1.00 50.31           H   new
ATOM      0  HG3 ARG A  28      14.570  -1.614 -10.204  1.00 50.31           H   new
ATOM      0  HD2 ARG A  28      15.459  -2.332 -12.813  1.00 72.30           H   new
ATOM      0  HD3 ARG A  28      14.239  -1.095 -13.040  1.00 72.30           H   new
ATOM      0  HE  ARG A  28      15.823  -0.070 -11.005  1.00 53.15           H   new
ATOM      0 HH11 ARG A  28      16.392  -1.309 -14.261  1.00  3.00           H   new
ATOM      0 HH12 ARG A  28      17.792  -0.267 -14.537  1.00  3.00           H   new
ATOM      0 HH21 ARG A  28      17.622   1.266 -11.367  1.00 35.22           H   new
ATOM      0 HH22 ARG A  28      18.486   1.184 -12.906  1.00 35.22           H   new
TER     521      ARG A  28