USER  MOD reduce.3.24.130724 H: found=0, std=0, add=332, rem=0, adj=13
USER  MOD reduce.3.24.130724 removed 326 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD Set 1.1: A   8 CYS SG  :   rot  120:sc=   -1.18
USER  MOD Set 1.2: A  15 TYR OH  :   rot   94:sc=   -0.18
USER  MOD Set 1.3: A  21 CYS SG  :   rot   38:sc=    1.75
USER  MOD Set 2.1: A  16 CYS SG  :   rot   37:sc=  0.0736
USER  MOD Set 2.2: A  34 CYS SG  :   rot -122:sc=    1.41
USER  MOD Set 2.3: A  43 CYS SG  :   rot  -77:sc=  -0.854!
USER  MOD Single : A   6 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  10 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  11 GLN     :      amide:sc=  -0.305  K(o=-0.3,f=-3.3!)
USER  MOD Single : A  12 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  13 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  14 HIS     :     no HD1:sc=  -0.492  X(o=-0.49,f=-0.21)
USER  MOD Single : A  18 LYS NZ  :NH3+    175:sc=   -1.83   (180deg=-1.88)
USER  MOD Single : A  28 GLN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A  29 THR OG1 :   rot   86:sc=   0.184
USER  MOD Single : A  31 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  32 CYS SG  :   rot   39:sc= 0.00328
USER  MOD Single : A  38 TYR OH  :   rot  180:sc=       0
USER  MOD -----------------------------------------------------------------
ATOM     73  N   PHE A   5      -0.145  11.724  -4.617  1.00  0.00           N
ATOM     74  CA  PHE A   5      -0.996  11.502  -3.412  1.00  0.00           C
ATOM     75  C   PHE A   5      -0.119  11.351  -2.166  1.00  0.00           C
ATOM     76  O   PHE A   5       0.986  11.851  -2.109  1.00  0.00           O
ATOM     77  CB  PHE A   5      -1.754  10.206  -3.698  1.00  0.00           C
ATOM     78  CG  PHE A   5      -2.511  10.346  -4.997  1.00  0.00           C
ATOM     79  CD1 PHE A   5      -3.612  11.207  -5.076  1.00  0.00           C
ATOM     80  CD2 PHE A   5      -2.111   9.616  -6.122  1.00  0.00           C
ATOM     81  CE1 PHE A   5      -4.313  11.337  -6.281  1.00  0.00           C
ATOM     82  CE2 PHE A   5      -2.812   9.746  -7.327  1.00  0.00           C
ATOM     83  CZ  PHE A   5      -3.914  10.607  -7.406  1.00  0.00           C
ATOM      0  HA  PHE A   5      -1.672  12.336  -3.223  1.00  0.00           H   new
ATOM      0  HB2 PHE A   5      -1.057   9.370  -3.758  1.00  0.00           H   new
ATOM      0  HB3 PHE A   5      -2.444   9.988  -2.883  1.00  0.00           H   new
ATOM      0  HD1 PHE A   5      -3.920  11.771  -4.208  1.00  0.00           H   new
ATOM      0  HD2 PHE A   5      -1.261   8.952  -6.061  1.00  0.00           H   new
ATOM      0  HE1 PHE A   5      -5.162  12.001  -6.342  1.00  0.00           H   new
ATOM      0  HE2 PHE A   5      -2.503   9.183  -8.195  1.00  0.00           H   new
ATOM      0  HZ  PHE A   5      -4.456  10.707  -8.335  1.00  0.00           H   new
ATOM     93  N   SER A   6      -0.604  10.667  -1.166  1.00  0.00           N
ATOM     94  CA  SER A   6       0.202  10.488   0.075  1.00  0.00           C
ATOM     95  C   SER A   6       0.362   8.998   0.394  1.00  0.00           C
ATOM     96  O   SER A   6      -0.590   8.246   0.384  1.00  0.00           O
ATOM     97  CB  SER A   6      -0.600  11.188   1.171  1.00  0.00           C
ATOM     98  OG  SER A   6      -0.945  12.497   0.736  1.00  0.00           O
ATOM      0  H   SER A   6      -1.523  10.225  -1.155  1.00  0.00           H   new
ATOM      0  HA  SER A   6       1.206  10.900  -0.022  1.00  0.00           H   new
ATOM      0  HB2 SER A   6      -1.501  10.618   1.399  1.00  0.00           H   new
ATOM      0  HB3 SER A   6      -0.015  11.240   2.089  1.00  0.00           H   new
ATOM      0  HG  SER A   6      -1.461  12.949   1.436  1.00  0.00           H   new
ATOM    104  N   ARG A   7       1.563   8.570   0.675  1.00  0.00           N
ATOM    105  CA  ARG A   7       1.784   7.130   0.994  1.00  0.00           C
ATOM    106  C   ARG A   7       1.667   6.900   2.504  1.00  0.00           C
ATOM    107  O   ARG A   7       2.037   7.740   3.300  1.00  0.00           O
ATOM    108  CB  ARG A   7       3.204   6.833   0.512  1.00  0.00           C
ATOM    109  CG  ARG A   7       3.540   5.365   0.782  1.00  0.00           C
ATOM    110  CD  ARG A   7       4.849   5.276   1.569  1.00  0.00           C
ATOM    111  NE  ARG A   7       5.920   5.277   0.534  1.00  0.00           N
ATOM    112  CZ  ARG A   7       6.985   6.014   0.697  1.00  0.00           C
ATOM    113  NH1 ARG A   7       7.564   6.075   1.865  1.00  0.00           N
ATOM    114  NH2 ARG A   7       7.471   6.691  -0.307  1.00  0.00           N
ATOM      0  H   ARG A   7       2.399   9.154   0.698  1.00  0.00           H   new
ATOM      0  HA  ARG A   7       1.049   6.482   0.517  1.00  0.00           H   new
ATOM      0  HB2 ARG A   7       3.289   7.046  -0.554  1.00  0.00           H   new
ATOM      0  HB3 ARG A   7       3.916   7.480   1.025  1.00  0.00           H   new
ATOM      0  HG2 ARG A   7       2.733   4.894   1.344  1.00  0.00           H   new
ATOM      0  HG3 ARG A   7       3.632   4.823  -0.159  1.00  0.00           H   new
ATOM      0  HD2 ARG A   7       4.958   6.119   2.251  1.00  0.00           H   new
ATOM      0  HD3 ARG A   7       4.885   4.370   2.174  1.00  0.00           H   new
ATOM      0  HE  ARG A   7       5.821   4.702  -0.302  1.00  0.00           H   new
ATOM      0 HH11 ARG A   7       7.184   5.547   2.651  1.00  0.00           H   new
ATOM      0 HH12 ARG A   7       8.396   6.651   1.992  1.00  0.00           H   new
ATOM      0 HH21 ARG A   7       7.019   6.645  -1.220  1.00  0.00           H   new
ATOM      0 HH22 ARG A   7       8.303   7.267  -0.179  1.00  0.00           H   new
ATOM    128  N   CYS A   8       1.155   5.768   2.903  1.00  0.00           N
ATOM    129  CA  CYS A   8       1.014   5.487   4.362  1.00  0.00           C
ATOM    130  C   CYS A   8       2.305   4.873   4.911  1.00  0.00           C
ATOM    131  O   CYS A   8       2.919   4.041   4.272  1.00  0.00           O
ATOM    132  CB  CYS A   8      -0.140   4.488   4.463  1.00  0.00           C
ATOM    133  SG  CYS A   8      -1.427   5.162   5.542  1.00  0.00           S
ATOM      0  H   CYS A   8       0.828   5.026   2.284  1.00  0.00           H   new
ATOM      0  HA  CYS A   8       0.823   6.391   4.940  1.00  0.00           H   new
ATOM      0  HB2 CYS A   8      -0.549   4.287   3.473  1.00  0.00           H   new
ATOM      0  HB3 CYS A   8       0.220   3.538   4.858  1.00  0.00           H   new
ATOM      0  HG  CYS A   8      -2.537   5.274   4.875  1.00  0.00           H   new
ATOM    138  N   PRO A   9       2.672   5.307   6.087  1.00  0.00           N
ATOM    139  CA  PRO A   9       3.903   4.798   6.739  1.00  0.00           C
ATOM    140  C   PRO A   9       3.685   3.371   7.251  1.00  0.00           C
ATOM    141  O   PRO A   9       2.572   2.892   7.323  1.00  0.00           O
ATOM    142  CB  PRO A   9       4.116   5.762   7.903  1.00  0.00           C
ATOM    143  CG  PRO A   9       2.758   6.314   8.202  1.00  0.00           C
ATOM    144  CD  PRO A   9       1.981   6.305   6.910  1.00  0.00           C
ATOM      0  HA  PRO A   9       4.758   4.754   6.064  1.00  0.00           H   new
ATOM      0  HB2 PRO A   9       4.533   5.249   8.769  1.00  0.00           H   new
ATOM      0  HB3 PRO A   9       4.814   6.555   7.636  1.00  0.00           H   new
ATOM      0  HG2 PRO A   9       2.255   5.711   8.958  1.00  0.00           H   new
ATOM      0  HG3 PRO A   9       2.833   7.326   8.599  1.00  0.00           H   new
ATOM      0  HD2 PRO A   9       0.938   6.034   7.074  1.00  0.00           H   new
ATOM      0  HD3 PRO A   9       1.985   7.286   6.435  1.00  0.00           H   new
ATOM    152  N   LYS A  10       4.739   2.692   7.611  1.00  0.00           N
ATOM    153  CA  LYS A  10       4.588   1.299   8.121  1.00  0.00           C
ATOM    154  C   LYS A  10       3.741   1.298   9.397  1.00  0.00           C
ATOM    155  O   LYS A  10       3.063   0.339   9.704  1.00  0.00           O
ATOM    156  CB  LYS A  10       6.012   0.830   8.419  1.00  0.00           C
ATOM    157  CG  LYS A  10       6.845   0.879   7.137  1.00  0.00           C
ATOM    158  CD  LYS A  10       8.322   1.071   7.492  1.00  0.00           C
ATOM    159  CE  LYS A  10       8.806  -0.117   8.328  1.00  0.00           C
ATOM    160  NZ  LYS A  10      10.197   0.235   8.725  1.00  0.00           N
ATOM      0  H   LYS A  10       5.697   3.040   7.574  1.00  0.00           H   new
ATOM      0  HA  LYS A  10       4.088   0.646   7.406  1.00  0.00           H   new
ATOM      0  HB2 LYS A  10       6.463   1.464   9.182  1.00  0.00           H   new
ATOM      0  HB3 LYS A  10       5.996  -0.185   8.816  1.00  0.00           H   new
ATOM      0  HG2 LYS A  10       6.714  -0.043   6.570  1.00  0.00           H   new
ATOM      0  HG3 LYS A  10       6.504   1.696   6.501  1.00  0.00           H   new
ATOM      0  HD2 LYS A  10       8.917   1.156   6.583  1.00  0.00           H   new
ATOM      0  HD3 LYS A  10       8.455   1.999   8.048  1.00  0.00           H   new
ATOM      0  HE2 LYS A  10       8.172  -0.269   9.202  1.00  0.00           H   new
ATOM      0  HE3 LYS A  10       8.782  -1.042   7.751  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  10      10.598  -0.532   9.302  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  10      10.778   0.367   7.873  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  10      10.188   1.116   9.278  1.00  0.00           H   new
ATOM    174  N   GLN A  11       3.778   2.370  10.142  1.00  0.00           N
ATOM    175  CA  GLN A  11       2.976   2.435  11.399  1.00  0.00           C
ATOM    176  C   GLN A  11       1.480   2.433  11.075  1.00  0.00           C
ATOM    177  O   GLN A  11       0.669   1.966  11.848  1.00  0.00           O
ATOM    178  CB  GLN A  11       3.377   3.758  12.055  1.00  0.00           C
ATOM    179  CG  GLN A  11       4.226   3.475  13.296  1.00  0.00           C
ATOM    180  CD  GLN A  11       3.325   3.436  14.531  1.00  0.00           C
ATOM    181  OE1 GLN A  11       2.167   3.797  14.465  1.00  0.00           O
ATOM    182  NE2 GLN A  11       3.812   3.009  15.665  1.00  0.00           N
ATOM      0  H   GLN A  11       4.328   3.203   9.935  1.00  0.00           H   new
ATOM      0  HA  GLN A  11       3.161   1.581  12.050  1.00  0.00           H   new
ATOM      0  HB2 GLN A  11       3.938   4.371  11.349  1.00  0.00           H   new
ATOM      0  HB3 GLN A  11       2.487   4.324  12.331  1.00  0.00           H   new
ATOM      0  HG2 GLN A  11       4.749   2.525  13.184  1.00  0.00           H   new
ATOM      0  HG3 GLN A  11       4.988   4.246  13.412  1.00  0.00           H   new
ATOM      0 HE21 GLN A  11       4.784   2.706  15.721  1.00  0.00           H   new
ATOM      0 HE22 GLN A  11       3.220   2.979  16.495  1.00  0.00           H   new
ATOM    191  N   TYR A  12       1.110   2.953   9.938  1.00  0.00           N
ATOM    192  CA  TYR A  12      -0.333   2.982   9.566  1.00  0.00           C
ATOM    193  C   TYR A  12      -0.667   1.814   8.636  1.00  0.00           C
ATOM    194  O   TYR A  12      -1.758   1.716   8.112  1.00  0.00           O
ATOM    195  CB  TYR A  12      -0.529   4.316   8.845  1.00  0.00           C
ATOM    196  CG  TYR A  12      -1.109   5.328   9.805  1.00  0.00           C
ATOM    197  CD1 TYR A  12      -2.427   5.187  10.257  1.00  0.00           C
ATOM    198  CD2 TYR A  12      -0.331   6.406  10.241  1.00  0.00           C
ATOM    199  CE1 TYR A  12      -2.966   6.123  11.146  1.00  0.00           C
ATOM    200  CE2 TYR A  12      -0.871   7.344  11.130  1.00  0.00           C
ATOM    201  CZ  TYR A  12      -2.188   7.202  11.583  1.00  0.00           C
ATOM    202  OH  TYR A  12      -2.719   8.126  12.459  1.00  0.00           O
ATOM      0  H   TYR A  12       1.744   3.359   9.250  1.00  0.00           H   new
ATOM      0  HA  TYR A  12      -0.984   2.888  10.435  1.00  0.00           H   new
ATOM      0  HB2 TYR A  12       0.424   4.674   8.455  1.00  0.00           H   new
ATOM      0  HB3 TYR A  12      -1.194   4.186   7.992  1.00  0.00           H   new
ATOM      0  HD1 TYR A  12      -3.027   4.355   9.919  1.00  0.00           H   new
ATOM      0  HD2 TYR A  12       0.685   6.515   9.892  1.00  0.00           H   new
ATOM      0  HE1 TYR A  12      -3.982   6.013  11.495  1.00  0.00           H   new
ATOM      0  HE2 TYR A  12      -0.271   8.177  11.466  1.00  0.00           H   new
ATOM      0  HH  TYR A  12      -2.046   8.809  12.661  1.00  0.00           H   new
ATOM    212  N   LYS A  13       0.267   0.926   8.424  1.00  0.00           N
ATOM    213  CA  LYS A  13       0.002  -0.234   7.527  1.00  0.00           C
ATOM    214  C   LYS A  13      -0.560  -1.411   8.330  1.00  0.00           C
ATOM    215  O   LYS A  13      -0.077  -2.522   8.241  1.00  0.00           O
ATOM    216  CB  LYS A  13       1.364  -0.593   6.931  1.00  0.00           C
ATOM    217  CG  LYS A  13       1.227  -0.775   5.418  1.00  0.00           C
ATOM    218  CD  LYS A  13       2.253   0.108   4.704  1.00  0.00           C
ATOM    219  CE  LYS A  13       3.632  -0.554   4.770  1.00  0.00           C
ATOM    220  NZ  LYS A  13       4.308  -0.158   3.504  1.00  0.00           N
ATOM      0  H   LYS A  13       1.201   0.954   8.833  1.00  0.00           H   new
ATOM      0  HA  LYS A  13      -0.732   0.001   6.756  1.00  0.00           H   new
ATOM      0  HB2 LYS A  13       2.087   0.193   7.149  1.00  0.00           H   new
ATOM      0  HB3 LYS A  13       1.742  -1.509   7.385  1.00  0.00           H   new
ATOM      0  HG2 LYS A  13       1.382  -1.820   5.151  1.00  0.00           H   new
ATOM      0  HG3 LYS A  13       0.219  -0.511   5.099  1.00  0.00           H   new
ATOM      0  HD2 LYS A  13       1.959   0.258   3.665  1.00  0.00           H   new
ATOM      0  HD3 LYS A  13       2.288   1.093   5.170  1.00  0.00           H   new
ATOM      0  HE2 LYS A  13       4.193  -0.213   5.640  1.00  0.00           H   new
ATOM      0  HE3 LYS A  13       3.547  -1.638   4.850  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  13       5.261  -0.574   3.474  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  13       3.755  -0.502   2.693  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  13       4.381   0.878   3.459  1.00  0.00           H   new
ATOM    234  N   HIS A  14      -1.587  -1.185   9.101  1.00  0.00           N
ATOM    235  CA  HIS A  14      -2.166  -2.302   9.900  1.00  0.00           C
ATOM    236  C   HIS A  14      -3.171  -3.064   9.046  1.00  0.00           C
ATOM    237  O   HIS A  14      -3.461  -4.219   9.286  1.00  0.00           O
ATOM    238  CB  HIS A  14      -2.866  -1.632  11.080  1.00  0.00           C
ATOM    239  CG  HIS A  14      -2.017  -1.768  12.312  1.00  0.00           C
ATOM    240  ND1 HIS A  14      -2.100  -0.876  13.370  1.00  0.00           N
ATOM    241  CD2 HIS A  14      -1.065  -2.689  12.674  1.00  0.00           C
ATOM    242  CE1 HIS A  14      -1.221  -1.275  14.307  1.00  0.00           C
ATOM    243  NE2 HIS A  14      -0.564  -2.376  13.933  1.00  0.00           N
ATOM      0  H   HIS A  14      -2.048  -0.282   9.213  1.00  0.00           H   new
ATOM      0  HA  HIS A  14      -1.411  -3.014  10.235  1.00  0.00           H   new
ATOM      0  HB2 HIS A  14      -3.042  -0.579  10.861  1.00  0.00           H   new
ATOM      0  HB3 HIS A  14      -3.841  -2.090  11.245  1.00  0.00           H   new
ATOM      0  HD2 HIS A  14      -0.753  -3.529  12.072  1.00  0.00           H   new
ATOM      0  HE1 HIS A  14      -1.066  -0.767  15.247  1.00  0.00           H   new
ATOM      0  HE2 HIS A  14       0.151  -2.879  14.458  1.00  0.00           H   new
ATOM    251  N   TYR A  15      -3.680  -2.433   8.029  1.00  0.00           N
ATOM    252  CA  TYR A  15      -4.639  -3.134   7.134  1.00  0.00           C
ATOM    253  C   TYR A  15      -3.863  -3.807   5.998  1.00  0.00           C
ATOM    254  O   TYR A  15      -4.439  -4.385   5.098  1.00  0.00           O
ATOM    255  CB  TYR A  15      -5.579  -2.050   6.594  1.00  0.00           C
ATOM    256  CG  TYR A  15      -4.780  -0.864   6.106  1.00  0.00           C
ATOM    257  CD1 TYR A  15      -3.900  -1.006   5.026  1.00  0.00           C
ATOM    258  CD2 TYR A  15      -4.925   0.380   6.733  1.00  0.00           C
ATOM    259  CE1 TYR A  15      -3.164   0.096   4.574  1.00  0.00           C
ATOM    260  CE2 TYR A  15      -4.190   1.482   6.280  1.00  0.00           C
ATOM    261  CZ  TYR A  15      -3.310   1.340   5.201  1.00  0.00           C
ATOM    262  OH  TYR A  15      -2.585   2.427   4.755  1.00  0.00           O
ATOM      0  H   TYR A  15      -3.475  -1.466   7.778  1.00  0.00           H   new
ATOM      0  HA  TYR A  15      -5.204  -3.910   7.651  1.00  0.00           H   new
ATOM      0  HB2 TYR A  15      -6.181  -2.453   5.779  1.00  0.00           H   new
ATOM      0  HB3 TYR A  15      -6.271  -1.735   7.376  1.00  0.00           H   new
ATOM      0  HD1 TYR A  15      -3.789  -1.965   4.542  1.00  0.00           H   new
ATOM      0  HD2 TYR A  15      -5.604   0.489   7.566  1.00  0.00           H   new
ATOM      0  HE1 TYR A  15      -2.484  -0.013   3.742  1.00  0.00           H   new
ATOM      0  HE2 TYR A  15      -4.302   2.441   6.763  1.00  0.00           H   new
ATOM      0  HH  TYR A  15      -3.120   2.934   4.110  1.00  0.00           H   new
ATOM    272  N   CYS A  16      -2.553  -3.737   6.033  1.00  0.00           N
ATOM    273  CA  CYS A  16      -1.743  -4.377   4.955  1.00  0.00           C
ATOM    274  C   CYS A  16      -0.303  -4.591   5.432  1.00  0.00           C
ATOM    275  O   CYS A  16       0.394  -3.653   5.763  1.00  0.00           O
ATOM    276  CB  CYS A  16      -1.782  -3.387   3.790  1.00  0.00           C
ATOM    277  SG  CYS A  16      -3.201  -3.758   2.729  1.00  0.00           S
ATOM      0  H   CYS A  16      -2.014  -3.266   6.760  1.00  0.00           H   new
ATOM      0  HA  CYS A  16      -2.131  -5.355   4.671  1.00  0.00           H   new
ATOM      0  HB2 CYS A  16      -1.854  -2.367   4.168  1.00  0.00           H   new
ATOM      0  HB3 CYS A  16      -0.858  -3.449   3.215  1.00  0.00           H   new
ATOM      0  HG  CYS A  16      -4.205  -4.137   3.463  1.00  0.00           H   new
ATOM    282  N   ILE A  17       0.151  -5.815   5.467  1.00  0.00           N
ATOM    283  CA  ILE A  17       1.548  -6.076   5.922  1.00  0.00           C
ATOM    284  C   ILE A  17       2.545  -5.637   4.846  1.00  0.00           C
ATOM    285  O   ILE A  17       3.091  -4.553   4.899  1.00  0.00           O
ATOM    286  CB  ILE A  17       1.622  -7.587   6.141  1.00  0.00           C
ATOM    287  CG1 ILE A  17       0.808  -7.964   7.381  1.00  0.00           C
ATOM    288  CG2 ILE A  17       3.080  -8.003   6.345  1.00  0.00           C
ATOM    289  CD1 ILE A  17       1.282  -7.135   8.577  1.00  0.00           C
ATOM      0  H   ILE A  17      -0.382  -6.643   5.201  1.00  0.00           H   new
ATOM      0  HA  ILE A  17       1.796  -5.524   6.828  1.00  0.00           H   new
ATOM      0  HB  ILE A  17       1.216  -8.099   5.269  1.00  0.00           H   new
ATOM      0 HG12 ILE A  17      -0.252  -7.787   7.200  1.00  0.00           H   new
ATOM      0 HG13 ILE A  17       0.922  -9.027   7.594  1.00  0.00           H   new
ATOM      0 HG21 ILE A  17       3.132  -9.080   6.501  1.00  0.00           H   new
ATOM      0 HG22 ILE A  17       3.662  -7.735   5.463  1.00  0.00           H   new
ATOM      0 HG23 ILE A  17       3.486  -7.490   7.217  1.00  0.00           H   new
ATOM      0 HD11 ILE A  17       0.702  -7.404   9.459  1.00  0.00           H   new
ATOM      0 HD12 ILE A  17       2.338  -7.334   8.762  1.00  0.00           H   new
ATOM      0 HD13 ILE A  17       1.145  -6.075   8.362  1.00  0.00           H   new
ATOM    301  N   LYS A  18       2.787  -6.468   3.867  1.00  0.00           N
ATOM    302  CA  LYS A  18       3.750  -6.089   2.791  1.00  0.00           C
ATOM    303  C   LYS A  18       3.002  -5.444   1.621  1.00  0.00           C
ATOM    304  O   LYS A  18       2.969  -5.964   0.521  1.00  0.00           O
ATOM    305  CB  LYS A  18       4.410  -7.400   2.360  1.00  0.00           C
ATOM    306  CG  LYS A  18       3.375  -8.300   1.682  1.00  0.00           C
ATOM    307  CD  LYS A  18       3.797  -9.764   1.821  1.00  0.00           C
ATOM    308  CE  LYS A  18       5.276  -9.910   1.455  1.00  0.00           C
ATOM    309  NZ  LYS A  18       5.362  -9.494   0.028  1.00  0.00           N
ATOM      0  H   LYS A  18       2.362  -7.389   3.766  1.00  0.00           H   new
ATOM      0  HA  LYS A  18       4.488  -5.364   3.133  1.00  0.00           H   new
ATOM      0  HB2 LYS A  18       5.233  -7.196   1.675  1.00  0.00           H   new
ATOM      0  HB3 LYS A  18       4.835  -7.907   3.227  1.00  0.00           H   new
ATOM      0  HG2 LYS A  18       2.395  -8.149   2.135  1.00  0.00           H   new
ATOM      0  HG3 LYS A  18       3.283  -8.036   0.628  1.00  0.00           H   new
ATOM      0  HD2 LYS A  18       3.629 -10.106   2.842  1.00  0.00           H   new
ATOM      0  HD3 LYS A  18       3.188 -10.392   1.171  1.00  0.00           H   new
ATOM      0  HE2 LYS A  18       5.903  -9.282   2.088  1.00  0.00           H   new
ATOM      0  HE3 LYS A  18       5.616 -10.937   1.588  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  18       6.358  -9.486  -0.272  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  18       4.828 -10.164  -0.562  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  18       4.960  -8.541  -0.081  1.00  0.00           H   new
ATOM    323  N   GLY A  19       2.401  -4.310   1.852  1.00  0.00           N
ATOM    324  CA  GLY A  19       1.655  -3.626   0.762  1.00  0.00           C
ATOM    325  C   GLY A  19       1.622  -2.122   1.036  1.00  0.00           C
ATOM    326  O   GLY A  19       1.534  -1.690   2.168  1.00  0.00           O
ATOM      0  H   GLY A  19       2.395  -3.828   2.751  1.00  0.00           H   new
ATOM      0  HA2 GLY A  19       2.132  -3.822  -0.198  1.00  0.00           H   new
ATOM      0  HA3 GLY A  19       0.640  -4.018   0.699  1.00  0.00           H   new
ATOM    330  N   ARG A  20       1.687  -1.321   0.009  1.00  0.00           N
ATOM    331  CA  ARG A  20       1.655   0.157   0.216  1.00  0.00           C
ATOM    332  C   ARG A  20       0.222   0.675   0.079  1.00  0.00           C
ATOM    333  O   ARG A  20      -0.597   0.089  -0.598  1.00  0.00           O
ATOM    334  CB  ARG A  20       2.545   0.742  -0.883  1.00  0.00           C
ATOM    335  CG  ARG A  20       3.971   0.905  -0.352  1.00  0.00           C
ATOM    336  CD  ARG A  20       4.861  -0.198  -0.930  1.00  0.00           C
ATOM    337  NE  ARG A  20       6.218   0.410  -1.012  1.00  0.00           N
ATOM    338  CZ  ARG A  20       7.271  -0.304  -0.723  1.00  0.00           C
ATOM    339  NH1 ARG A  20       7.437  -0.761   0.488  1.00  0.00           N
ATOM    340  NH2 ARG A  20       8.159  -0.558  -1.644  1.00  0.00           N
ATOM      0  H   ARG A  20       1.761  -1.623  -0.962  1.00  0.00           H   new
ATOM      0  HA  ARG A  20       2.005   0.440   1.209  1.00  0.00           H   new
ATOM      0  HB2 ARG A  20       2.543   0.087  -1.755  1.00  0.00           H   new
ATOM      0  HB3 ARG A  20       2.154   1.706  -1.208  1.00  0.00           H   new
ATOM      0  HG2 ARG A  20       4.363   1.884  -0.627  1.00  0.00           H   new
ATOM      0  HG3 ARG A  20       3.973   0.855   0.737  1.00  0.00           H   new
ATOM      0  HD2 ARG A  20       4.861  -1.081  -0.291  1.00  0.00           H   new
ATOM      0  HD3 ARG A  20       4.510  -0.515  -1.912  1.00  0.00           H   new
ATOM      0  HE  ARG A  20       6.324   1.384  -1.294  1.00  0.00           H   new
ATOM      0 HH11 ARG A  20       6.744  -0.560   1.208  1.00  0.00           H   new
ATOM      0 HH12 ARG A  20       8.260  -1.319   0.714  1.00  0.00           H   new
ATOM      0 HH21 ARG A  20       8.030  -0.198  -2.590  1.00  0.00           H   new
ATOM      0 HH22 ARG A  20       8.982  -1.116  -1.418  1.00  0.00           H   new
ATOM    354  N   CYS A  21      -0.086   1.769   0.718  1.00  0.00           N
ATOM    355  CA  CYS A  21      -1.467   2.322   0.625  1.00  0.00           C
ATOM    356  C   CYS A  21      -1.416   3.814   0.282  1.00  0.00           C
ATOM    357  O   CYS A  21      -0.754   4.590   0.941  1.00  0.00           O
ATOM    358  CB  CYS A  21      -2.074   2.111   2.012  1.00  0.00           C
ATOM    359  SG  CYS A  21      -3.610   3.061   2.152  1.00  0.00           S
ATOM      0  H   CYS A  21       0.558   2.304   1.300  1.00  0.00           H   new
ATOM      0  HA  CYS A  21      -2.055   1.836  -0.154  1.00  0.00           H   new
ATOM      0  HB2 CYS A  21      -2.273   1.052   2.176  1.00  0.00           H   new
ATOM      0  HB3 CYS A  21      -1.368   2.426   2.781  1.00  0.00           H   new
ATOM      0  HG  CYS A  21      -4.253   3.015   1.023  1.00  0.00           H   new
ATOM    364  N   ARG A  22      -2.114   4.218  -0.742  1.00  0.00           N
ATOM    365  CA  ARG A  22      -2.108   5.660  -1.125  1.00  0.00           C
ATOM    366  C   ARG A  22      -3.427   6.318  -0.714  1.00  0.00           C
ATOM    367  O   ARG A  22      -4.461   6.081  -1.305  1.00  0.00           O
ATOM    368  CB  ARG A  22      -1.954   5.665  -2.646  1.00  0.00           C
ATOM    369  CG  ARG A  22      -0.553   5.175  -3.017  1.00  0.00           C
ATOM    370  CD  ARG A  22       0.157   6.242  -3.855  1.00  0.00           C
ATOM    371  NE  ARG A  22       1.430   6.514  -3.134  1.00  0.00           N
ATOM    372  CZ  ARG A  22       2.146   7.559  -3.448  1.00  0.00           C
ATOM    373  NH1 ARG A  22       1.695   8.758  -3.199  1.00  0.00           N
ATOM    374  NH2 ARG A  22       3.314   7.406  -4.011  1.00  0.00           N
ATOM      0  H   ARG A  22      -2.688   3.614  -1.330  1.00  0.00           H   new
ATOM      0  HA  ARG A  22      -1.309   6.217  -0.635  1.00  0.00           H   new
ATOM      0  HB2 ARG A  22      -2.708   5.023  -3.101  1.00  0.00           H   new
ATOM      0  HB3 ARG A  22      -2.115   6.670  -3.035  1.00  0.00           H   new
ATOM      0  HG2 ARG A  22       0.021   4.965  -2.115  1.00  0.00           H   new
ATOM      0  HG3 ARG A  22      -0.619   4.242  -3.577  1.00  0.00           H   new
ATOM      0  HD2 ARG A  22       0.345   5.887  -4.868  1.00  0.00           H   new
ATOM      0  HD3 ARG A  22      -0.449   7.144  -3.941  1.00  0.00           H   new
ATOM      0  HE  ARG A  22       1.743   5.884  -2.395  1.00  0.00           H   new
ATOM      0 HH11 ARG A  22       0.783   8.879  -2.759  1.00  0.00           H   new
ATOM      0 HH12 ARG A  22       2.255   9.575  -3.444  1.00  0.00           H   new
ATOM      0 HH21 ARG A  22       3.667   6.469  -4.206  1.00  0.00           H   new
ATOM      0 HH22 ARG A  22       3.873   8.223  -4.256  1.00  0.00           H   new
ATOM    388  N   PHE A  23      -3.399   7.140   0.299  1.00  0.00           N
ATOM    389  CA  PHE A  23      -4.651   7.811   0.750  1.00  0.00           C
ATOM    390  C   PHE A  23      -4.787   9.185   0.089  1.00  0.00           C
ATOM    391  O   PHE A  23      -4.027  10.093   0.360  1.00  0.00           O
ATOM    392  CB  PHE A  23      -4.496   7.956   2.265  1.00  0.00           C
ATOM    393  CG  PHE A  23      -5.862   8.028   2.903  1.00  0.00           C
ATOM    394  CD1 PHE A  23      -6.756   9.038   2.528  1.00  0.00           C
ATOM    395  CD2 PHE A  23      -6.234   7.084   3.868  1.00  0.00           C
ATOM    396  CE1 PHE A  23      -8.023   9.103   3.118  1.00  0.00           C
ATOM    397  CE2 PHE A  23      -7.501   7.150   4.458  1.00  0.00           C
ATOM    398  CZ  PHE A  23      -8.397   8.161   4.083  1.00  0.00           C
ATOM      0  H   PHE A  23      -2.563   7.376   0.834  1.00  0.00           H   new
ATOM      0  HA  PHE A  23      -5.543   7.244   0.482  1.00  0.00           H   new
ATOM      0  HB2 PHE A  23      -3.938   7.110   2.667  1.00  0.00           H   new
ATOM      0  HB3 PHE A  23      -3.925   8.855   2.499  1.00  0.00           H   new
ATOM      0  HD1 PHE A  23      -6.468   9.766   1.784  1.00  0.00           H   new
ATOM      0  HD2 PHE A  23      -5.543   6.305   4.157  1.00  0.00           H   new
ATOM      0  HE1 PHE A  23      -8.713   9.881   2.828  1.00  0.00           H   new
ATOM      0  HE2 PHE A  23      -7.789   6.422   5.202  1.00  0.00           H   new
ATOM      0  HZ  PHE A  23      -9.375   8.213   4.538  1.00  0.00           H   new
ATOM    408  N   VAL A  24      -5.751   9.344  -0.776  1.00  0.00           N
ATOM    409  CA  VAL A  24      -5.935  10.660  -1.452  1.00  0.00           C
ATOM    410  C   VAL A  24      -6.677  11.626  -0.524  1.00  0.00           C
ATOM    411  O   VAL A  24      -7.824  11.411  -0.178  1.00  0.00           O
ATOM    412  CB  VAL A  24      -6.773  10.359  -2.694  1.00  0.00           C
ATOM    413  CG1 VAL A  24      -6.711  11.549  -3.652  1.00  0.00           C
ATOM    414  CG2 VAL A  24      -6.222   9.114  -3.393  1.00  0.00           C
ATOM      0  H   VAL A  24      -6.419   8.621  -1.044  1.00  0.00           H   new
ATOM      0  HA  VAL A  24      -4.985  11.129  -1.710  1.00  0.00           H   new
ATOM      0  HB  VAL A  24      -7.807  10.183  -2.399  1.00  0.00           H   new
ATOM      0 HG11 VAL A  24      -7.309  11.334  -4.538  1.00  0.00           H   new
ATOM      0 HG12 VAL A  24      -7.104  12.436  -3.156  1.00  0.00           H   new
ATOM      0 HG13 VAL A  24      -5.676  11.726  -3.946  1.00  0.00           H   new
ATOM      0 HG21 VAL A  24      -6.820   8.899  -4.279  1.00  0.00           H   new
ATOM      0 HG22 VAL A  24      -5.187   9.290  -3.687  1.00  0.00           H   new
ATOM      0 HG23 VAL A  24      -6.266   8.265  -2.711  1.00  0.00           H   new
ATOM    424  N   VAL A  25      -6.027  12.688  -0.123  1.00  0.00           N
ATOM    425  CA  VAL A  25      -6.684  13.675   0.783  1.00  0.00           C
ATOM    426  C   VAL A  25      -7.615  14.589  -0.018  1.00  0.00           C
ATOM    427  O   VAL A  25      -8.819  14.551   0.140  1.00  0.00           O
ATOM    428  CB  VAL A  25      -5.535  14.480   1.391  1.00  0.00           C
ATOM    429  CG1 VAL A  25      -6.062  15.333   2.547  1.00  0.00           C
ATOM    430  CG2 VAL A  25      -4.463  13.521   1.914  1.00  0.00           C
ATOM      0  H   VAL A  25      -5.067  12.914  -0.385  1.00  0.00           H   new
ATOM      0  HA  VAL A  25      -7.293  13.193   1.548  1.00  0.00           H   new
ATOM      0  HB  VAL A  25      -5.104  15.129   0.629  1.00  0.00           H   new
ATOM      0 HG11 VAL A  25      -5.242  15.906   2.979  1.00  0.00           H   new
ATOM      0 HG12 VAL A  25      -6.826  16.016   2.176  1.00  0.00           H   new
ATOM      0 HG13 VAL A  25      -6.494  14.685   3.310  1.00  0.00           H   new
ATOM      0 HG21 VAL A  25      -3.643  14.093   2.348  1.00  0.00           H   new
ATOM      0 HG22 VAL A  25      -4.895  12.872   2.676  1.00  0.00           H   new
ATOM      0 HG23 VAL A  25      -4.086  12.913   1.091  1.00  0.00           H   new
ATOM    440  N   ALA A  26      -7.068  15.409  -0.879  1.00  0.00           N
ATOM    441  CA  ALA A  26      -7.929  16.319  -1.692  1.00  0.00           C
ATOM    442  C   ALA A  26      -9.157  15.551  -2.183  1.00  0.00           C
ATOM    443  O   ALA A  26     -10.243  16.088  -2.289  1.00  0.00           O
ATOM    444  CB  ALA A  26      -7.055  16.749  -2.870  1.00  0.00           C
ATOM      0  H   ALA A  26      -6.066  15.487  -1.054  1.00  0.00           H   new
ATOM      0  HA  ALA A  26      -8.287  17.179  -1.125  1.00  0.00           H   new
ATOM      0  HB1 ALA A  26      -7.620  17.422  -3.516  1.00  0.00           H   new
ATOM      0  HB2 ALA A  26      -6.169  17.263  -2.497  1.00  0.00           H   new
ATOM      0  HB3 ALA A  26      -6.752  15.870  -3.439  1.00  0.00           H   new
ATOM    450  N   GLU A  27      -8.989  14.291  -2.465  1.00  0.00           N
ATOM    451  CA  GLU A  27     -10.133  13.462  -2.931  1.00  0.00           C
ATOM    452  C   GLU A  27     -10.289  12.257  -2.001  1.00  0.00           C
ATOM    453  O   GLU A  27      -9.709  11.215  -2.228  1.00  0.00           O
ATOM    454  CB  GLU A  27      -9.752  13.009  -4.340  1.00  0.00           C
ATOM    455  CG  GLU A  27     -10.782  13.535  -5.343  1.00  0.00           C
ATOM    456  CD  GLU A  27     -10.128  13.680  -6.717  1.00  0.00           C
ATOM    457  OE1 GLU A  27      -9.120  13.032  -6.944  1.00  0.00           O
ATOM    458  OE2 GLU A  27     -10.646  14.439  -7.520  1.00  0.00           O
ATOM      0  H   GLU A  27      -8.100  13.796  -2.392  1.00  0.00           H   new
ATOM      0  HA  GLU A  27     -11.078  14.005  -2.930  1.00  0.00           H   new
ATOM      0  HB2 GLU A  27      -8.759  13.378  -4.596  1.00  0.00           H   new
ATOM      0  HB3 GLU A  27      -9.709  11.921  -4.384  1.00  0.00           H   new
ATOM      0  HG2 GLU A  27     -11.629  12.852  -5.402  1.00  0.00           H   new
ATOM      0  HG3 GLU A  27     -11.171  14.497  -5.010  1.00  0.00           H   new
ATOM    465  N   GLN A  28     -11.053  12.406  -0.949  1.00  0.00           N
ATOM    466  CA  GLN A  28     -11.244  11.285   0.023  1.00  0.00           C
ATOM    467  C   GLN A  28     -11.272   9.932  -0.693  1.00  0.00           C
ATOM    468  O   GLN A  28     -12.312   9.459  -1.108  1.00  0.00           O
ATOM    469  CB  GLN A  28     -12.594  11.565   0.684  1.00  0.00           C
ATOM    470  CG  GLN A  28     -12.774  10.642   1.891  1.00  0.00           C
ATOM    471  CD  GLN A  28     -13.837  11.224   2.824  1.00  0.00           C
ATOM    472  OE1 GLN A  28     -13.530  11.662   3.915  1.00  0.00           O
ATOM    473  NE2 GLN A  28     -15.084  11.243   2.441  1.00  0.00           N
ATOM      0  H   GLN A  28     -11.557  13.263  -0.719  1.00  0.00           H   new
ATOM      0  HA  GLN A  28     -10.429  11.234   0.745  1.00  0.00           H   new
ATOM      0  HB2 GLN A  28     -12.647  12.607   0.999  1.00  0.00           H   new
ATOM      0  HB3 GLN A  28     -13.401  11.407  -0.032  1.00  0.00           H   new
ATOM      0  HG2 GLN A  28     -13.071   9.647   1.560  1.00  0.00           H   new
ATOM      0  HG3 GLN A  28     -11.829  10.532   2.423  1.00  0.00           H   new
ATOM      0 HE21 GLN A  28     -15.342  10.875   1.525  1.00  0.00           H   new
ATOM      0 HE22 GLN A  28     -15.801  11.626   3.057  1.00  0.00           H   new
ATOM    482  N   THR A  29     -10.136   9.305  -0.839  1.00  0.00           N
ATOM    483  CA  THR A  29     -10.099   7.981  -1.528  1.00  0.00           C
ATOM    484  C   THR A  29      -8.952   7.128  -0.978  1.00  0.00           C
ATOM    485  O   THR A  29      -7.840   7.197  -1.462  1.00  0.00           O
ATOM    486  CB  THR A  29      -9.867   8.306  -3.004  1.00  0.00           C
ATOM    487  OG1 THR A  29     -11.014   8.963  -3.527  1.00  0.00           O
ATOM    488  CG2 THR A  29      -9.619   7.013  -3.781  1.00  0.00           C
ATOM      0  H   THR A  29      -9.234   9.650  -0.512  1.00  0.00           H   new
ATOM      0  HA  THR A  29     -11.017   7.413  -1.376  1.00  0.00           H   new
ATOM      0  HB  THR A  29      -8.998   8.957  -3.101  1.00  0.00           H   new
ATOM      0  HG1 THR A  29     -10.947   9.925  -3.355  1.00  0.00           H   new
ATOM      0 HG21 THR A  29      -9.454   7.247  -4.833  1.00  0.00           H   new
ATOM      0 HG22 THR A  29      -8.740   6.510  -3.379  1.00  0.00           H   new
ATOM      0 HG23 THR A  29     -10.486   6.360  -3.686  1.00  0.00           H   new
ATOM    496  N   PRO A  30      -9.265   6.352   0.023  1.00  0.00           N
ATOM    497  CA  PRO A  30      -8.250   5.475   0.655  1.00  0.00           C
ATOM    498  C   PRO A  30      -7.957   4.261  -0.233  1.00  0.00           C
ATOM    499  O   PRO A  30      -8.772   3.370  -0.371  1.00  0.00           O
ATOM    500  CB  PRO A  30      -8.912   5.044   1.958  1.00  0.00           C
ATOM    501  CG  PRO A  30     -10.384   5.160   1.710  1.00  0.00           C
ATOM    502  CD  PRO A  30     -10.583   6.219   0.654  1.00  0.00           C
ATOM      0  HA  PRO A  30      -7.293   5.974   0.810  1.00  0.00           H   new
ATOM      0  HB2 PRO A  30      -8.637   4.022   2.220  1.00  0.00           H   new
ATOM      0  HB3 PRO A  30      -8.601   5.681   2.786  1.00  0.00           H   new
ATOM      0  HG2 PRO A  30     -10.793   4.206   1.378  1.00  0.00           H   new
ATOM      0  HG3 PRO A  30     -10.907   5.430   2.627  1.00  0.00           H   new
ATOM      0  HD2 PRO A  30     -11.342   5.922  -0.069  1.00  0.00           H   new
ATOM      0  HD3 PRO A  30     -10.911   7.161   1.092  1.00  0.00           H   new
ATOM    510  N   SER A  31      -6.798   4.216  -0.831  1.00  0.00           N
ATOM    511  CA  SER A  31      -6.453   3.056  -1.702  1.00  0.00           C
ATOM    512  C   SER A  31      -5.349   2.219  -1.051  1.00  0.00           C
ATOM    513  O   SER A  31      -4.436   2.744  -0.445  1.00  0.00           O
ATOM    514  CB  SER A  31      -5.960   3.675  -3.010  1.00  0.00           C
ATOM    515  OG  SER A  31      -6.034   2.704  -4.045  1.00  0.00           O
ATOM      0  H   SER A  31      -6.075   4.932  -0.754  1.00  0.00           H   new
ATOM      0  HA  SER A  31      -7.302   2.391  -1.863  1.00  0.00           H   new
ATOM      0  HB2 SER A  31      -6.567   4.544  -3.266  1.00  0.00           H   new
ATOM      0  HB3 SER A  31      -4.934   4.025  -2.896  1.00  0.00           H   new
ATOM      0  HG  SER A  31      -5.720   3.098  -4.886  1.00  0.00           H   new
ATOM    521  N   CYS A  32      -5.426   0.921  -1.165  1.00  0.00           N
ATOM    522  CA  CYS A  32      -4.380   0.057  -0.546  1.00  0.00           C
ATOM    523  C   CYS A  32      -3.840  -0.948  -1.567  1.00  0.00           C
ATOM    524  O   CYS A  32      -4.449  -1.964  -1.836  1.00  0.00           O
ATOM    525  CB  CYS A  32      -5.094  -0.669   0.595  1.00  0.00           C
ATOM    526  SG  CYS A  32      -6.600  -1.450  -0.035  1.00  0.00           S
ATOM      0  H   CYS A  32      -6.166   0.422  -1.659  1.00  0.00           H   new
ATOM      0  HA  CYS A  32      -3.526   0.635  -0.194  1.00  0.00           H   new
ATOM      0  HB2 CYS A  32      -4.436  -1.421   1.030  1.00  0.00           H   new
ATOM      0  HB3 CYS A  32      -5.342   0.035   1.389  1.00  0.00           H   new
ATOM      0  HG  CYS A  32      -6.371  -1.945  -1.215  1.00  0.00           H   new
ATOM    531  N   VAL A  33      -2.698  -0.671  -2.136  1.00  0.00           N
ATOM    532  CA  VAL A  33      -2.113  -1.610  -3.138  1.00  0.00           C
ATOM    533  C   VAL A  33      -1.018  -2.464  -2.489  1.00  0.00           C
ATOM    534  O   VAL A  33      -0.077  -1.950  -1.919  1.00  0.00           O
ATOM    535  CB  VAL A  33      -1.516  -0.709  -4.219  1.00  0.00           C
ATOM    536  CG1 VAL A  33      -1.025  -1.567  -5.386  1.00  0.00           C
ATOM    537  CG2 VAL A  33      -2.584   0.266  -4.717  1.00  0.00           C
ATOM      0  H   VAL A  33      -2.144   0.165  -1.951  1.00  0.00           H   new
ATOM      0  HA  VAL A  33      -2.855  -2.299  -3.542  1.00  0.00           H   new
ATOM      0  HB  VAL A  33      -0.678  -0.149  -3.803  1.00  0.00           H   new
ATOM      0 HG11 VAL A  33      -0.599  -0.924  -6.156  1.00  0.00           H   new
ATOM      0 HG12 VAL A  33      -0.263  -2.262  -5.032  1.00  0.00           H   new
ATOM      0 HG13 VAL A  33      -1.862  -2.128  -5.803  1.00  0.00           H   new
ATOM      0 HG21 VAL A  33      -2.159   0.909  -5.488  1.00  0.00           H   new
ATOM      0 HG22 VAL A  33      -3.422  -0.294  -5.133  1.00  0.00           H   new
ATOM      0 HG23 VAL A  33      -2.933   0.879  -3.886  1.00  0.00           H   new
ATOM    547  N   CYS A  34      -1.134  -3.762  -2.570  1.00  0.00           N
ATOM    548  CA  CYS A  34      -0.097  -4.643  -1.953  1.00  0.00           C
ATOM    549  C   CYS A  34       0.967  -5.025  -2.986  1.00  0.00           C
ATOM    550  O   CYS A  34       0.740  -4.960  -4.178  1.00  0.00           O
ATOM    551  CB  CYS A  34      -0.861  -5.884  -1.489  1.00  0.00           C
ATOM    552  SG  CYS A  34      -2.221  -5.386  -0.404  1.00  0.00           S
ATOM      0  H   CYS A  34      -1.899  -4.251  -3.035  1.00  0.00           H   new
ATOM      0  HA  CYS A  34       0.425  -4.150  -1.133  1.00  0.00           H   new
ATOM      0  HB2 CYS A  34      -1.249  -6.428  -2.350  1.00  0.00           H   new
ATOM      0  HB3 CYS A  34      -0.190  -6.561  -0.961  1.00  0.00           H   new
ATOM      0  HG  CYS A  34      -2.092  -5.971   0.750  1.00  0.00           H   new
ATOM    557  N   ASP A  35       2.127  -5.426  -2.538  1.00  0.00           N
ATOM    558  CA  ASP A  35       3.202  -5.815  -3.497  1.00  0.00           C
ATOM    559  C   ASP A  35       2.674  -6.864  -4.480  1.00  0.00           C
ATOM    560  O   ASP A  35       2.300  -7.953  -4.095  1.00  0.00           O
ATOM    561  CB  ASP A  35       4.314  -6.408  -2.631  1.00  0.00           C
ATOM    562  CG  ASP A  35       5.454  -5.397  -2.499  1.00  0.00           C
ATOM    563  OD1 ASP A  35       5.219  -4.230  -2.766  1.00  0.00           O
ATOM    564  OD2 ASP A  35       6.543  -5.807  -2.132  1.00  0.00           O
ATOM      0  H   ASP A  35       2.376  -5.501  -1.552  1.00  0.00           H   new
ATOM      0  HA  ASP A  35       3.554  -4.969  -4.088  1.00  0.00           H   new
ATOM      0  HB2 ASP A  35       3.925  -6.663  -1.645  1.00  0.00           H   new
ATOM      0  HB3 ASP A  35       4.683  -7.332  -3.077  1.00  0.00           H   new
ATOM    569  N   GLU A  36       2.633  -6.545  -5.746  1.00  0.00           N
ATOM    570  CA  GLU A  36       2.121  -7.532  -6.741  1.00  0.00           C
ATOM    571  C   GLU A  36       2.841  -8.874  -6.573  1.00  0.00           C
ATOM    572  O   GLU A  36       2.289  -9.923  -6.843  1.00  0.00           O
ATOM    573  CB  GLU A  36       2.413  -6.916  -8.116  1.00  0.00           C
ATOM    574  CG  GLU A  36       3.923  -6.887  -8.377  1.00  0.00           C
ATOM    575  CD  GLU A  36       4.532  -5.640  -7.733  1.00  0.00           C
ATOM    576  OE1 GLU A  36       3.980  -4.569  -7.926  1.00  0.00           O
ATOM    577  OE2 GLU A  36       5.540  -5.777  -7.061  1.00  0.00           O
ATOM      0  H   GLU A  36       2.930  -5.649  -6.133  1.00  0.00           H   new
ATOM      0  HA  GLU A  36       1.057  -7.730  -6.614  1.00  0.00           H   new
ATOM      0  HB2 GLU A  36       1.914  -7.494  -8.894  1.00  0.00           H   new
ATOM      0  HB3 GLU A  36       2.010  -5.904  -8.162  1.00  0.00           H   new
ATOM      0  HG2 GLU A  36       4.390  -7.784  -7.970  1.00  0.00           H   new
ATOM      0  HG3 GLU A  36       4.117  -6.886  -9.450  1.00  0.00           H   new
ATOM    584  N   GLY A  37       4.067  -8.852  -6.122  1.00  0.00           N
ATOM    585  CA  GLY A  37       4.815 -10.126  -5.930  1.00  0.00           C
ATOM    586  C   GLY A  37       4.590 -10.635  -4.505  1.00  0.00           C
ATOM    587  O   GLY A  37       5.473 -11.198  -3.889  1.00  0.00           O
ATOM      0  H   GLY A  37       4.582  -8.006  -5.879  1.00  0.00           H   new
ATOM      0  HA2 GLY A  37       4.479 -10.871  -6.652  1.00  0.00           H   new
ATOM      0  HA3 GLY A  37       5.879  -9.967  -6.108  1.00  0.00           H   new
ATOM    591  N   TYR A  38       3.414 -10.435  -3.974  1.00  0.00           N
ATOM    592  CA  TYR A  38       3.134 -10.901  -2.586  1.00  0.00           C
ATOM    593  C   TYR A  38       2.057 -11.994  -2.592  1.00  0.00           C
ATOM    594  O   TYR A  38       1.457 -12.282  -3.610  1.00  0.00           O
ATOM    595  CB  TYR A  38       2.669  -9.641  -1.834  1.00  0.00           C
ATOM    596  CG  TYR A  38       1.159  -9.520  -1.851  1.00  0.00           C
ATOM    597  CD1 TYR A  38       0.462  -9.509  -3.067  1.00  0.00           C
ATOM    598  CD2 TYR A  38       0.458  -9.415  -0.645  1.00  0.00           C
ATOM    599  CE1 TYR A  38      -0.933  -9.394  -3.074  1.00  0.00           C
ATOM    600  CE2 TYR A  38      -0.937  -9.298  -0.652  1.00  0.00           C
ATOM    601  CZ  TYR A  38      -1.633  -9.287  -1.866  1.00  0.00           C
ATOM    602  OH  TYR A  38      -3.008  -9.171  -1.872  1.00  0.00           O
ATOM      0  H   TYR A  38       2.636  -9.969  -4.441  1.00  0.00           H   new
ATOM      0  HA  TYR A  38       4.006 -11.349  -2.109  1.00  0.00           H   new
ATOM      0  HB2 TYR A  38       3.022  -9.678  -0.803  1.00  0.00           H   new
ATOM      0  HB3 TYR A  38       3.113  -8.757  -2.291  1.00  0.00           H   new
ATOM      0  HD1 TYR A  38       1.002  -9.589  -3.999  1.00  0.00           H   new
ATOM      0  HD2 TYR A  38       0.994  -9.424   0.293  1.00  0.00           H   new
ATOM      0  HE1 TYR A  38      -1.470  -9.388  -4.011  1.00  0.00           H   new
ATOM      0  HE2 TYR A  38      -1.476  -9.216   0.280  1.00  0.00           H   new
ATOM      0  HH  TYR A  38      -3.335  -9.108  -0.950  1.00  0.00           H   new
ATOM    612  N   ILE A  39       1.810 -12.604  -1.464  1.00  0.00           N
ATOM    613  CA  ILE A  39       0.776 -13.676  -1.406  1.00  0.00           C
ATOM    614  C   ILE A  39       0.127 -13.711  -0.020  1.00  0.00           C
ATOM    615  O   ILE A  39       0.705 -13.279   0.958  1.00  0.00           O
ATOM    616  CB  ILE A  39       1.541 -14.973  -1.675  1.00  0.00           C
ATOM    617  CG1 ILE A  39       1.892 -15.059  -3.162  1.00  0.00           C
ATOM    618  CG2 ILE A  39       0.674 -16.172  -1.288  1.00  0.00           C
ATOM    619  CD1 ILE A  39       2.610 -16.380  -3.442  1.00  0.00           C
ATOM      0  H   ILE A  39       2.280 -12.406  -0.581  1.00  0.00           H   new
ATOM      0  HA  ILE A  39      -0.027 -13.518  -2.126  1.00  0.00           H   new
ATOM      0  HB  ILE A  39       2.456 -14.981  -1.082  1.00  0.00           H   new
ATOM      0 HG12 ILE A  39       0.986 -14.990  -3.765  1.00  0.00           H   new
ATOM      0 HG13 ILE A  39       2.528 -14.220  -3.445  1.00  0.00           H   new
ATOM      0 HG21 ILE A  39       1.222 -17.094  -1.481  1.00  0.00           H   new
ATOM      0 HG22 ILE A  39       0.424 -16.113  -0.229  1.00  0.00           H   new
ATOM      0 HG23 ILE A  39      -0.242 -16.164  -1.878  1.00  0.00           H   new
ATOM      0 HD11 ILE A  39       2.860 -16.441  -4.501  1.00  0.00           H   new
ATOM      0 HD12 ILE A  39       3.524 -16.430  -2.850  1.00  0.00           H   new
ATOM      0 HD13 ILE A  39       1.959 -17.212  -3.174  1.00  0.00           H   new
ATOM    631  N   GLY A  40      -1.070 -14.224   0.074  1.00  0.00           N
ATOM    632  CA  GLY A  40      -1.752 -14.286   1.397  1.00  0.00           C
ATOM    633  C   GLY A  40      -2.906 -13.282   1.427  1.00  0.00           C
ATOM    634  O   GLY A  40      -3.056 -12.467   0.539  1.00  0.00           O
ATOM      0  H   GLY A  40      -1.604 -14.602  -0.708  1.00  0.00           H   new
ATOM      0  HA2 GLY A  40      -2.128 -15.293   1.577  1.00  0.00           H   new
ATOM      0  HA3 GLY A  40      -1.042 -14.064   2.194  1.00  0.00           H   new
ATOM    638  N   ALA A  41      -3.723 -13.333   2.445  1.00  0.00           N
ATOM    639  CA  ALA A  41      -4.866 -12.379   2.531  1.00  0.00           C
ATOM    640  C   ALA A  41      -4.412 -11.066   3.174  1.00  0.00           C
ATOM    641  O   ALA A  41      -4.720  -9.992   2.697  1.00  0.00           O
ATOM    642  CB  ALA A  41      -5.901 -13.079   3.412  1.00  0.00           C
ATOM      0  H   ALA A  41      -3.648 -13.993   3.219  1.00  0.00           H   new
ATOM      0  HA  ALA A  41      -5.269 -12.128   1.550  1.00  0.00           H   new
ATOM      0  HB1 ALA A  41      -6.776 -12.439   3.524  1.00  0.00           H   new
ATOM      0  HB2 ALA A  41      -6.197 -14.020   2.948  1.00  0.00           H   new
ATOM      0  HB3 ALA A  41      -5.469 -13.278   4.393  1.00  0.00           H   new
ATOM    648  N   ARG A  42      -3.679 -11.142   4.252  1.00  0.00           N
ATOM    649  CA  ARG A  42      -3.204  -9.898   4.924  1.00  0.00           C
ATOM    650  C   ARG A  42      -1.850  -9.472   4.355  1.00  0.00           C
ATOM    651  O   ARG A  42      -1.175  -8.624   4.903  1.00  0.00           O
ATOM    652  CB  ARG A  42      -3.063 -10.271   6.400  1.00  0.00           C
ATOM    653  CG  ARG A  42      -4.425 -10.173   7.087  1.00  0.00           C
ATOM    654  CD  ARG A  42      -4.636  -8.746   7.597  1.00  0.00           C
ATOM    655  NE  ARG A  42      -5.841  -8.256   6.873  1.00  0.00           N
ATOM    656  CZ  ARG A  42      -6.906  -7.906   7.541  1.00  0.00           C
ATOM    657  NH1 ARG A  42      -7.742  -8.816   7.960  1.00  0.00           N
ATOM    658  NH2 ARG A  42      -7.135  -6.645   7.790  1.00  0.00           N
ATOM      0  H   ARG A  42      -3.388 -12.013   4.697  1.00  0.00           H   new
ATOM      0  HA  ARG A  42      -3.891  -9.065   4.775  1.00  0.00           H   new
ATOM      0  HB2 ARG A  42      -2.669 -11.283   6.494  1.00  0.00           H   new
ATOM      0  HB3 ARG A  42      -2.350  -9.606   6.887  1.00  0.00           H   new
ATOM      0  HG2 ARG A  42      -5.217 -10.442   6.388  1.00  0.00           H   new
ATOM      0  HG3 ARG A  42      -4.478 -10.879   7.916  1.00  0.00           H   new
ATOM      0  HD2 ARG A  42      -4.790  -8.731   8.676  1.00  0.00           H   new
ATOM      0  HD3 ARG A  42      -3.768  -8.120   7.390  1.00  0.00           H   new
ATOM      0  HE  ARG A  42      -5.834  -8.194   5.855  1.00  0.00           H   new
ATOM      0 HH11 ARG A  42      -7.563  -9.801   7.765  1.00  0.00           H   new
ATOM      0 HH12 ARG A  42      -8.574  -8.542   8.482  1.00  0.00           H   new
ATOM      0 HH21 ARG A  42      -6.482  -5.934   7.462  1.00  0.00           H   new
ATOM      0 HH22 ARG A  42      -7.967  -6.371   8.312  1.00  0.00           H   new
ATOM    672  N   CYS A  43      -1.446 -10.057   3.260  1.00  0.00           N
ATOM    673  CA  CYS A  43      -0.131  -9.690   2.658  1.00  0.00           C
ATOM    674  C   CYS A  43       1.007 -10.189   3.553  1.00  0.00           C
ATOM    675  O   CYS A  43       1.930  -9.463   3.861  1.00  0.00           O
ATOM    676  CB  CYS A  43      -0.115  -8.154   2.584  1.00  0.00           C
ATOM    677  SG  CYS A  43      -1.746  -7.527   2.100  1.00  0.00           S
ATOM      0  H   CYS A  43      -1.969 -10.773   2.756  1.00  0.00           H   new
ATOM      0  HA  CYS A  43       0.003 -10.137   1.673  1.00  0.00           H   new
ATOM      0  HB2 CYS A  43       0.168  -7.740   3.552  1.00  0.00           H   new
ATOM      0  HB3 CYS A  43       0.636  -7.826   1.865  1.00  0.00           H   new
ATOM      0  HG  CYS A  43      -1.912  -7.691   0.821  1.00  0.00           H   new
ATOM    682  N   GLU A  44       0.943 -11.421   3.981  1.00  0.00           N
ATOM    683  CA  GLU A  44       2.019 -11.960   4.864  1.00  0.00           C
ATOM    684  C   GLU A  44       2.996 -12.828   4.063  1.00  0.00           C
ATOM    685  O   GLU A  44       4.188 -12.806   4.293  1.00  0.00           O
ATOM    686  CB  GLU A  44       1.288 -12.808   5.907  1.00  0.00           C
ATOM    687  CG  GLU A  44       0.149 -11.993   6.525  1.00  0.00           C
ATOM    688  CD  GLU A  44      -0.485 -12.787   7.668  1.00  0.00           C
ATOM    689  OE1 GLU A  44       0.156 -13.705   8.152  1.00  0.00           O
ATOM    690  OE2 GLU A  44      -1.601 -12.464   8.040  1.00  0.00           O
ATOM      0  H   GLU A  44       0.194 -12.077   3.758  1.00  0.00           H   new
ATOM      0  HA  GLU A  44       2.608 -11.163   5.318  1.00  0.00           H   new
ATOM      0  HB2 GLU A  44       0.892 -13.711   5.443  1.00  0.00           H   new
ATOM      0  HB3 GLU A  44       1.983 -13.127   6.683  1.00  0.00           H   new
ATOM      0  HG2 GLU A  44       0.529 -11.041   6.896  1.00  0.00           H   new
ATOM      0  HG3 GLU A  44      -0.601 -11.764   5.768  1.00  0.00           H   new
ATOM    697  N   ARG A  45       2.501 -13.596   3.131  1.00  0.00           N
ATOM    698  CA  ARG A  45       3.408 -14.468   2.329  1.00  0.00           C
ATOM    699  C   ARG A  45       4.037 -13.678   1.177  1.00  0.00           C
ATOM    700  O   ARG A  45       3.679 -12.546   0.919  1.00  0.00           O
ATOM    701  CB  ARG A  45       2.511 -15.584   1.787  1.00  0.00           C
ATOM    702  CG  ARG A  45       1.907 -16.366   2.957  1.00  0.00           C
ATOM    703  CD  ARG A  45       1.887 -17.858   2.617  1.00  0.00           C
ATOM    704  NE  ARG A  45       0.612 -18.366   3.195  1.00  0.00           N
ATOM    705  CZ  ARG A  45      -0.121 -19.208   2.519  1.00  0.00           C
ATOM    706  NH1 ARG A  45       0.356 -20.383   2.208  1.00  0.00           N
ATOM    707  NH2 ARG A  45      -1.328 -18.876   2.153  1.00  0.00           N
ATOM      0  H   ARG A  45       1.512 -13.658   2.890  1.00  0.00           H   new
ATOM      0  HA  ARG A  45       4.232 -14.858   2.927  1.00  0.00           H   new
ATOM      0  HB2 ARG A  45       1.718 -15.161   1.170  1.00  0.00           H   new
ATOM      0  HB3 ARG A  45       3.089 -16.252   1.149  1.00  0.00           H   new
ATOM      0  HG2 ARG A  45       2.491 -16.196   3.862  1.00  0.00           H   new
ATOM      0  HG3 ARG A  45       0.895 -16.015   3.160  1.00  0.00           H   new
ATOM      0  HD2 ARG A  45       1.924 -18.018   1.539  1.00  0.00           H   new
ATOM      0  HD3 ARG A  45       2.747 -18.372   3.045  1.00  0.00           H   new
ATOM      0  HE  ARG A  45       0.312 -18.056   4.119  1.00  0.00           H   new
ATOM      0 HH11 ARG A  45       1.300 -20.642   2.493  1.00  0.00           H   new
ATOM      0 HH12 ARG A  45      -0.216 -21.042   1.680  1.00  0.00           H   new
ATOM      0 HH21 ARG A  45      -1.700 -17.958   2.395  1.00  0.00           H   new
ATOM      0 HH22 ARG A  45      -1.900 -19.535   1.625  1.00  0.00           H   new
ATOM    721  N   VAL A  46       4.973 -14.270   0.486  1.00  0.00           N
ATOM    722  CA  VAL A  46       5.629 -13.562  -0.651  1.00  0.00           C
ATOM    723  C   VAL A  46       5.984 -14.562  -1.754  1.00  0.00           C
ATOM    724  O   VAL A  46       6.199 -15.730  -1.499  1.00  0.00           O
ATOM    725  CB  VAL A  46       6.897 -12.945  -0.059  1.00  0.00           C
ATOM    726  CG1 VAL A  46       7.758 -14.043   0.568  1.00  0.00           C
ATOM    727  CG2 VAL A  46       7.688 -12.249  -1.168  1.00  0.00           C
ATOM      0  H   VAL A  46       5.313 -15.216   0.660  1.00  0.00           H   new
ATOM      0  HA  VAL A  46       4.982 -12.807  -1.098  1.00  0.00           H   new
ATOM      0  HB  VAL A  46       6.624 -12.219   0.706  1.00  0.00           H   new
ATOM      0 HG11 VAL A  46       8.661 -13.601   0.989  1.00  0.00           H   new
ATOM      0 HG12 VAL A  46       7.195 -14.540   1.358  1.00  0.00           H   new
ATOM      0 HG13 VAL A  46       8.032 -14.771  -0.196  1.00  0.00           H   new
ATOM      0 HG21 VAL A  46       8.592 -11.808  -0.748  1.00  0.00           H   new
ATOM      0 HG22 VAL A  46       7.960 -12.977  -1.933  1.00  0.00           H   new
ATOM      0 HG23 VAL A  46       7.076 -11.465  -1.614  1.00  0.00           H   new