USER  MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=7
USER  MOD reduce.3.24.130724 removed 373 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  18 ASN     :      amide:sc=   -9.53! C(o=-13!,f=-12!)
USER  MOD Set 1.2: A  21 THR OG1 :   rot  180:sc=   -3.37!
USER  MOD Set 2.1: A   8 ASN     :      amide:sc=   -5.52! C(o=-8.3!,f=-17!)
USER  MOD Set 2.2: A  31 THR OG1 :   rot  -90:sc=   -2.82!
USER  MOD Single : A   6 ASN     :      amide:sc=   -4.25! C(o=-4.3!,f=-5.2!)
USER  MOD Single : A  12 ASN     :      amide:sc=  -0.141  X(o=-0.14,f=-0.018)
USER  MOD Single : A  16 ASN     :      amide:sc=    -6.1! C(o=-6.1!,f=-5.6!)
USER  MOD Single : A  17 CYS SG  :   rot  180:sc=       0
USER  MOD Single : A  26 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  29 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  30 ASN     :      amide:sc=  -0.061  K(o=-0.061,f=-1.3!)
USER  MOD Single : A  35 TYR OH  :   rot  150:sc=  -0.442
USER  MOD Single : A  40 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  46 ASN     :      amide:sc=-0.00184  X(o=-0.0018,f=-0.15)
USER  MOD Single : A  51 ASN     :      amide:sc=  -0.307  K(o=-0.31,f=-2.5!)
USER  MOD Single : A  55 LYS NZ  :NH3+    175:sc=  -0.259   (180deg=-0.284)
USER  MOD Single : A  57 LYS NZ  :NH3+    158:sc=-0.00758   (180deg=-0.275)
USER  MOD -----------------------------------------------------------------
ATOM     68  N   CYS A   5       9.296  62.653  88.851  1.00  0.00           N
ATOM     69  CA  CYS A   5       8.729  61.702  89.849  1.00  0.00           C
ATOM     70  C   CYS A   5       8.753  62.344  91.237  1.00  0.00           C
ATOM     71  O   CYS A   5       9.474  63.292  91.479  1.00  0.00           O
ATOM     72  CB  CYS A   5       9.567  60.423  89.865  1.00  0.00           C
ATOM     73  SG  CYS A   5       8.485  58.995  90.115  1.00  0.00           S
ATOM      0  HA  CYS A   5       7.701  61.461  89.578  1.00  0.00           H   new
ATOM      0  HB2 CYS A   5      10.111  60.320  88.926  1.00  0.00           H   new
ATOM      0  HB3 CYS A   5      10.311  60.473  90.660  1.00  0.00           H   new
ATOM     78  N   ASN A   6       7.970  61.835  92.150  1.00  0.00           N
ATOM     79  CA  ASN A   6       7.945  62.414  93.524  1.00  0.00           C
ATOM     80  C   ASN A   6       7.373  61.385  94.504  1.00  0.00           C
ATOM     81  O   ASN A   6       7.335  60.204  94.224  1.00  0.00           O
ATOM     82  CB  ASN A   6       7.058  63.663  93.529  1.00  0.00           C
ATOM     83  CG  ASN A   6       7.599  64.682  92.523  1.00  0.00           C
ATOM     84  OD1 ASN A   6       7.256  64.643  91.358  1.00  0.00           O
ATOM     85  ND2 ASN A   6       8.435  65.598  92.926  1.00  0.00           N
ATOM      0  H   ASN A   6       7.346  61.042  92.003  1.00  0.00           H   new
ATOM      0  HA  ASN A   6       8.958  62.679  93.825  1.00  0.00           H   new
ATOM      0  HB2 ASN A   6       6.033  63.394  93.274  1.00  0.00           H   new
ATOM      0  HB3 ASN A   6       7.034  64.100  94.527  1.00  0.00           H   new
ATOM      0 HD21 ASN A   6       8.801  66.282  92.263  1.00  0.00           H   new
ATOM      0 HD22 ASN A   6       8.723  65.631  93.904  1.00  0.00           H   new
ATOM     92  N   ASP A   7       6.922  61.833  95.647  1.00  0.00           N
ATOM     93  CA  ASP A   7       6.338  60.901  96.658  1.00  0.00           C
ATOM     94  C   ASP A   7       7.451  60.233  97.472  1.00  0.00           C
ATOM     95  O   ASP A   7       7.670  60.562  98.621  1.00  0.00           O
ATOM     96  CB  ASP A   7       5.499  59.828  95.958  1.00  0.00           C
ATOM     97  CG  ASP A   7       4.668  60.470  94.846  1.00  0.00           C
ATOM     98  OD1 ASP A   7       4.668  61.688  94.759  1.00  0.00           O
ATOM     99  OD2 ASP A   7       4.044  59.733  94.100  1.00  0.00           O
ATOM      0  H   ASP A   7       6.933  62.814  95.926  1.00  0.00           H   new
ATOM      0  HA  ASP A   7       5.701  61.474  97.332  1.00  0.00           H   new
ATOM      0  HB2 ASP A   7       6.149  59.058  95.542  1.00  0.00           H   new
ATOM      0  HB3 ASP A   7       4.844  59.337  96.678  1.00  0.00           H   new
ATOM    104  N   ASN A   8       8.149  59.288  96.898  1.00  0.00           N
ATOM    105  CA  ASN A   8       9.231  58.604  97.664  1.00  0.00           C
ATOM    106  C   ASN A   8      10.505  58.518  96.822  1.00  0.00           C
ATOM    107  O   ASN A   8      10.885  57.460  96.366  1.00  0.00           O
ATOM    108  CB  ASN A   8       8.774  57.192  98.034  1.00  0.00           C
ATOM    109  CG  ASN A   8       7.297  57.222  98.429  1.00  0.00           C
ATOM    110  OD1 ASN A   8       6.474  56.587  97.799  1.00  0.00           O
ATOM    111  ND2 ASN A   8       6.923  57.938  99.454  1.00  0.00           N
ATOM      0  H   ASN A   8       8.018  58.963  95.940  1.00  0.00           H   new
ATOM      0  HA  ASN A   8       9.441  59.176  98.567  1.00  0.00           H   new
ATOM      0  HB2 ASN A   8       8.922  56.517  97.191  1.00  0.00           H   new
ATOM      0  HB3 ASN A   8       9.374  56.808  98.859  1.00  0.00           H   new
ATOM      0 HD21 ASN A   8       5.940  57.965  99.726  1.00  0.00           H   new
ATOM      0 HD22 ASN A   8       7.613  58.471  99.983  1.00  0.00           H   new
ATOM    118  N   ILE A   9      11.182  59.617  96.638  1.00  0.00           N
ATOM    119  CA  ILE A   9      12.447  59.594  95.848  1.00  0.00           C
ATOM    120  C   ILE A   9      13.412  60.629  96.427  1.00  0.00           C
ATOM    121  O   ILE A   9      13.002  61.623  96.991  1.00  0.00           O
ATOM    122  CB  ILE A   9      12.147  59.927  94.388  1.00  0.00           C
ATOM    123  CG1 ILE A   9      11.302  61.198  94.320  1.00  0.00           C
ATOM    124  CG2 ILE A   9      11.379  58.771  93.748  1.00  0.00           C
ATOM    125  CD1 ILE A   9      12.187  62.378  93.918  1.00  0.00           C
ATOM      0  H   ILE A   9      10.914  60.532  97.001  1.00  0.00           H   new
ATOM      0  HA  ILE A   9      12.897  58.603  95.900  1.00  0.00           H   new
ATOM      0  HB  ILE A   9      13.083  60.082  93.851  1.00  0.00           H   new
ATOM      0 HG12 ILE A   9      10.495  61.073  93.598  1.00  0.00           H   new
ATOM      0 HG13 ILE A   9      10.838  61.391  95.287  1.00  0.00           H   new
ATOM      0 HG21 ILE A   9      11.165  59.009  92.706  1.00  0.00           H   new
ATOM      0 HG22 ILE A   9      11.981  57.863  93.797  1.00  0.00           H   new
ATOM      0 HG23 ILE A   9      10.443  58.615  94.284  1.00  0.00           H   new
ATOM      0 HD11 ILE A   9      11.584  63.285  93.869  1.00  0.00           H   new
ATOM      0 HD12 ILE A   9      12.978  62.507  94.656  1.00  0.00           H   new
ATOM      0 HD13 ILE A   9      12.630  62.184  92.941  1.00  0.00           H   new
ATOM    137  N   ASP A  10      14.691  60.399  96.308  1.00  0.00           N
ATOM    138  CA  ASP A  10      15.671  61.373  96.872  1.00  0.00           C
ATOM    139  C   ASP A  10      16.389  62.119  95.739  1.00  0.00           C
ATOM    140  O   ASP A  10      16.704  61.537  94.722  1.00  0.00           O
ATOM    141  CB  ASP A  10      16.705  60.621  97.712  1.00  0.00           C
ATOM    142  CG  ASP A  10      16.253  60.591  99.174  1.00  0.00           C
ATOM    143  OD1 ASP A  10      15.725  61.591  99.631  1.00  0.00           O
ATOM    144  OD2 ASP A  10      16.444  59.568  99.810  1.00  0.00           O
ATOM      0  H   ASP A  10      15.099  59.585  95.848  1.00  0.00           H   new
ATOM      0  HA  ASP A  10      15.138  62.093  97.493  1.00  0.00           H   new
ATOM      0  HB2 ASP A  10      16.824  59.605  97.336  1.00  0.00           H   new
ATOM      0  HB3 ASP A  10      17.677  61.107  97.631  1.00  0.00           H   new
ATOM    149  N   PRO A  11      16.638  63.390  95.956  1.00  0.00           N
ATOM    150  CA  PRO A  11      17.336  64.241  94.972  1.00  0.00           C
ATOM    151  C   PRO A  11      18.839  63.963  94.998  1.00  0.00           C
ATOM    152  O   PRO A  11      19.588  64.451  94.176  1.00  0.00           O
ATOM    153  CB  PRO A  11      17.055  65.662  95.461  1.00  0.00           C
ATOM    154  CG  PRO A  11      16.718  65.545  96.965  1.00  0.00           C
ATOM    155  CD  PRO A  11      16.251  64.097  97.195  1.00  0.00           C
ATOM      0  HA  PRO A  11      17.003  64.066  93.949  1.00  0.00           H   new
ATOM      0  HB2 PRO A  11      17.921  66.305  95.306  1.00  0.00           H   new
ATOM      0  HB3 PRO A  11      16.226  66.106  94.910  1.00  0.00           H   new
ATOM      0  HG2 PRO A  11      17.590  65.773  97.577  1.00  0.00           H   new
ATOM      0  HG3 PRO A  11      15.938  66.253  97.244  1.00  0.00           H   new
ATOM      0  HD2 PRO A  11      16.730  63.658  98.070  1.00  0.00           H   new
ATOM      0  HD3 PRO A  11      15.175  64.047  97.362  1.00  0.00           H   new
ATOM    163  N   ASN A  12      19.284  63.201  95.955  1.00  0.00           N
ATOM    164  CA  ASN A  12      20.746  62.910  96.058  1.00  0.00           C
ATOM    165  C   ASN A  12      21.170  61.866  95.012  1.00  0.00           C
ATOM    166  O   ASN A  12      22.144  62.061  94.311  1.00  0.00           O
ATOM    167  CB  ASN A  12      21.061  62.383  97.459  1.00  0.00           C
ATOM    168  CG  ASN A  12      22.127  63.270  98.109  1.00  0.00           C
ATOM    169  OD1 ASN A  12      21.977  63.689  99.240  1.00  0.00           O
ATOM    170  ND2 ASN A  12      23.202  63.576  97.437  1.00  0.00           N
ATOM      0  H   ASN A  12      18.703  62.766  96.671  1.00  0.00           H   new
ATOM      0  HA  ASN A  12      21.298  63.831  95.873  1.00  0.00           H   new
ATOM      0  HB2 ASN A  12      20.157  62.376  98.068  1.00  0.00           H   new
ATOM      0  HB3 ASN A  12      21.415  61.354  97.401  1.00  0.00           H   new
ATOM      0 HD21 ASN A  12      23.917  64.167  97.861  1.00  0.00           H   new
ATOM      0 HD22 ASN A  12      23.328  63.224  96.488  1.00  0.00           H   new
ATOM    177  N   ALA A  13      20.470  60.767  94.888  1.00  0.00           N
ATOM    178  CA  ALA A  13      20.876  59.753  93.874  1.00  0.00           C
ATOM    179  C   ALA A  13      20.974  60.431  92.505  1.00  0.00           C
ATOM    180  O   ALA A  13      20.900  61.640  92.397  1.00  0.00           O
ATOM    181  CB  ALA A  13      19.839  58.629  93.823  1.00  0.00           C
ATOM      0  H   ALA A  13      19.645  60.531  95.439  1.00  0.00           H   new
ATOM      0  HA  ALA A  13      21.843  59.329  94.144  1.00  0.00           H   new
ATOM      0  HB1 ALA A  13      20.140  57.890  93.080  1.00  0.00           H   new
ATOM      0  HB2 ALA A  13      19.770  58.153  94.801  1.00  0.00           H   new
ATOM      0  HB3 ALA A  13      18.868  59.042  93.551  1.00  0.00           H   new
ATOM    187  N   VAL A  14      21.160  59.676  91.458  1.00  0.00           N
ATOM    188  CA  VAL A  14      21.284  60.308  90.113  1.00  0.00           C
ATOM    189  C   VAL A  14      20.077  59.962  89.232  1.00  0.00           C
ATOM    190  O   VAL A  14      20.133  59.064  88.415  1.00  0.00           O
ATOM    191  CB  VAL A  14      22.562  59.808  89.439  1.00  0.00           C
ATOM    192  CG1 VAL A  14      22.757  60.537  88.110  1.00  0.00           C
ATOM    193  CG2 VAL A  14      23.759  60.085  90.351  1.00  0.00           C
ATOM      0  H   VAL A  14      21.231  58.659  91.473  1.00  0.00           H   new
ATOM      0  HA  VAL A  14      21.322  61.390  90.239  1.00  0.00           H   new
ATOM      0  HB  VAL A  14      22.482  58.736  89.257  1.00  0.00           H   new
ATOM      0 HG11 VAL A  14      23.668  60.180  87.630  1.00  0.00           H   new
ATOM      0 HG12 VAL A  14      21.904  60.343  87.460  1.00  0.00           H   new
ATOM      0 HG13 VAL A  14      22.838  61.609  88.291  1.00  0.00           H   new
ATOM      0 HG21 VAL A  14      24.671  59.729  89.872  1.00  0.00           H   new
ATOM      0 HG22 VAL A  14      23.838  61.157  90.532  1.00  0.00           H   new
ATOM      0 HG23 VAL A  14      23.621  59.566  91.300  1.00  0.00           H   new
ATOM    203  N   GLY A  15      18.992  60.681  89.369  1.00  0.00           N
ATOM    204  CA  GLY A  15      17.803  60.401  88.515  1.00  0.00           C
ATOM    205  C   GLY A  15      16.712  59.697  89.328  1.00  0.00           C
ATOM    206  O   GLY A  15      15.538  59.951  89.154  1.00  0.00           O
ATOM      0  H   GLY A  15      18.880  61.447  90.033  1.00  0.00           H   new
ATOM      0  HA2 GLY A  15      17.415  61.333  88.105  1.00  0.00           H   new
ATOM      0  HA3 GLY A  15      18.094  59.778  87.669  1.00  0.00           H   new
ATOM    210  N   ASN A  16      17.087  58.809  90.209  1.00  0.00           N
ATOM    211  CA  ASN A  16      16.064  58.083  91.022  1.00  0.00           C
ATOM    212  C   ASN A  16      15.000  57.456  90.103  1.00  0.00           C
ATOM    213  O   ASN A  16      13.929  57.084  90.548  1.00  0.00           O
ATOM    214  CB  ASN A  16      15.373  59.063  91.974  1.00  0.00           C
ATOM    215  CG  ASN A  16      16.394  59.659  92.943  1.00  0.00           C
ATOM    216  OD1 ASN A  16      16.413  59.316  94.111  1.00  0.00           O
ATOM    217  ND2 ASN A  16      17.243  60.551  92.507  1.00  0.00           N
ATOM      0  H   ASN A  16      18.056  58.554  90.402  1.00  0.00           H   new
ATOM      0  HA  ASN A  16      16.565  57.298  91.589  1.00  0.00           H   new
ATOM      0  HB2 ASN A  16      14.893  59.859  91.404  1.00  0.00           H   new
ATOM      0  HB3 ASN A  16      14.588  58.550  92.530  1.00  0.00           H   new
ATOM      0 HD21 ASN A  16      17.924  60.962  93.146  1.00  0.00           H   new
ATOM      0 HD22 ASN A  16      17.225  60.837  91.528  1.00  0.00           H   new
ATOM    224  N   CYS A  17      15.271  57.336  88.829  1.00  0.00           N
ATOM    225  CA  CYS A  17      14.256  56.743  87.913  1.00  0.00           C
ATOM    226  C   CYS A  17      14.903  55.640  87.069  1.00  0.00           C
ATOM    227  O   CYS A  17      16.110  55.497  87.049  1.00  0.00           O
ATOM    228  CB  CYS A  17      13.720  57.838  86.990  1.00  0.00           C
ATOM    229  SG  CYS A  17      15.068  58.468  85.960  1.00  0.00           S
ATOM      0  H   CYS A  17      16.145  57.621  88.387  1.00  0.00           H   new
ATOM      0  HA  CYS A  17      13.441  56.316  88.497  1.00  0.00           H   new
ATOM      0  HB2 CYS A  17      12.922  57.441  86.362  1.00  0.00           H   new
ATOM      0  HB3 CYS A  17      13.289  58.647  87.579  1.00  0.00           H   new
ATOM      0  HG  CYS A  17      14.614  59.398  85.173  1.00  0.00           H   new
ATOM    234  N   ASN A  18      14.123  54.865  86.352  1.00  0.00           N
ATOM    235  CA  ASN A  18      14.736  53.798  85.505  1.00  0.00           C
ATOM    236  C   ASN A  18      15.443  54.469  84.327  1.00  0.00           C
ATOM    237  O   ASN A  18      14.841  55.205  83.570  1.00  0.00           O
ATOM    238  CB  ASN A  18      13.675  52.825  84.956  1.00  0.00           C
ATOM    239  CG  ASN A  18      12.465  52.722  85.884  1.00  0.00           C
ATOM    240  OD1 ASN A  18      12.343  51.778  86.639  1.00  0.00           O
ATOM    241  ND2 ASN A  18      11.538  53.636  85.831  1.00  0.00           N
ATOM      0  H   ASN A  18      13.105  54.925  86.318  1.00  0.00           H   new
ATOM      0  HA  ASN A  18      15.433  53.227  86.118  1.00  0.00           H   new
ATOM      0  HB2 ASN A  18      13.350  53.160  83.971  1.00  0.00           H   new
ATOM      0  HB3 ASN A  18      14.119  51.838  84.827  1.00  0.00           H   new
ATOM      0 HD21 ASN A  18      10.711  53.559  86.423  1.00  0.00           H   new
ATOM      0 HD22 ASN A  18      11.639  54.429  85.198  1.00  0.00           H   new
ATOM    248  N   ARG A  19      16.715  54.237  84.168  1.00  0.00           N
ATOM    249  CA  ARG A  19      17.456  54.875  83.044  1.00  0.00           C
ATOM    250  C   ARG A  19      16.866  54.439  81.699  1.00  0.00           C
ATOM    251  O   ARG A  19      17.108  55.057  80.682  1.00  0.00           O
ATOM    252  CB  ARG A  19      18.927  54.454  83.106  1.00  0.00           C
ATOM    253  CG  ARG A  19      19.732  55.270  82.092  1.00  0.00           C
ATOM    254  CD  ARG A  19      20.805  56.081  82.822  1.00  0.00           C
ATOM    255  NE  ARG A  19      21.059  57.346  82.077  1.00  0.00           N
ATOM    256  CZ  ARG A  19      21.441  57.304  80.831  1.00  0.00           C
ATOM    257  NH1 ARG A  19      22.346  56.442  80.455  1.00  0.00           N
ATOM    258  NH2 ARG A  19      20.917  58.122  79.960  1.00  0.00           N
ATOM      0  H   ARG A  19      17.275  53.632  84.769  1.00  0.00           H   new
ATOM      0  HA  ARG A  19      17.370  55.958  83.135  1.00  0.00           H   new
ATOM      0  HB2 ARG A  19      19.320  54.612  84.110  1.00  0.00           H   new
ATOM      0  HB3 ARG A  19      19.022  53.390  82.890  1.00  0.00           H   new
ATOM      0  HG2 ARG A  19      20.197  54.606  81.363  1.00  0.00           H   new
ATOM      0  HG3 ARG A  19      19.070  55.937  81.540  1.00  0.00           H   new
ATOM      0  HD2 ARG A  19      20.480  56.303  83.838  1.00  0.00           H   new
ATOM      0  HD3 ARG A  19      21.725  55.501  82.901  1.00  0.00           H   new
ATOM      0  HE  ARG A  19      20.934  58.245  82.542  1.00  0.00           H   new
ATOM      0 HH11 ARG A  19      22.754  55.801  81.136  1.00  0.00           H   new
ATOM      0 HH12 ARG A  19      22.645  56.409  79.480  1.00  0.00           H   new
ATOM      0 HH21 ARG A  19      20.209  58.794  80.254  1.00  0.00           H   new
ATOM      0 HH22 ARG A  19      21.216  58.089  78.985  1.00  0.00           H   new
ATOM    272  N   LEU A  20      16.116  53.369  81.671  1.00  0.00           N
ATOM    273  CA  LEU A  20      15.552  52.905  80.368  1.00  0.00           C
ATOM    274  C   LEU A  20      14.045  53.200  80.257  1.00  0.00           C
ATOM    275  O   LEU A  20      13.565  53.558  79.200  1.00  0.00           O
ATOM    276  CB  LEU A  20      15.792  51.400  80.216  1.00  0.00           C
ATOM    277  CG  LEU A  20      15.465  50.688  81.530  1.00  0.00           C
ATOM    278  CD1 LEU A  20      14.747  49.370  81.230  1.00  0.00           C
ATOM    279  CD2 LEU A  20      16.763  50.400  82.288  1.00  0.00           C
ATOM      0  H   LEU A  20      15.871  52.802  82.483  1.00  0.00           H   new
ATOM      0  HA  LEU A  20      16.057  53.451  79.571  1.00  0.00           H   new
ATOM      0  HB2 LEU A  20      15.172  51.003  79.412  1.00  0.00           H   new
ATOM      0  HB3 LEU A  20      16.830  51.214  79.939  1.00  0.00           H   new
ATOM      0  HG  LEU A  20      14.821  51.323  82.138  1.00  0.00           H   new
ATOM      0 HD11 LEU A  20      14.513  48.862  82.166  1.00  0.00           H   new
ATOM      0 HD12 LEU A  20      13.824  49.574  80.688  1.00  0.00           H   new
ATOM      0 HD13 LEU A  20      15.392  48.734  80.623  1.00  0.00           H   new
ATOM      0 HD21 LEU A  20      16.532  49.893  83.225  1.00  0.00           H   new
ATOM      0 HD22 LEU A  20      17.406  49.764  81.680  1.00  0.00           H   new
ATOM      0 HD23 LEU A  20      17.276  51.338  82.500  1.00  0.00           H   new
ATOM    291  N   THR A  21      13.283  53.043  81.310  1.00  0.00           N
ATOM    292  CA  THR A  21      11.819  53.309  81.198  1.00  0.00           C
ATOM    293  C   THR A  21      11.514  54.773  81.537  1.00  0.00           C
ATOM    294  O   THR A  21      10.721  55.415  80.877  1.00  0.00           O
ATOM    295  CB  THR A  21      11.051  52.389  82.154  1.00  0.00           C
ATOM    296  OG1 THR A  21      11.933  51.901  83.155  1.00  0.00           O
ATOM    297  CG2 THR A  21      10.467  51.213  81.371  1.00  0.00           C
ATOM      0  H   THR A  21      13.607  52.746  82.231  1.00  0.00           H   new
ATOM      0  HA  THR A  21      11.505  53.112  80.173  1.00  0.00           H   new
ATOM      0  HB  THR A  21      10.243  52.949  82.625  1.00  0.00           H   new
ATOM      0  HG1 THR A  21      11.441  51.314  83.767  1.00  0.00           H   new
ATOM      0 HG21 THR A  21       9.921  50.559  82.051  1.00  0.00           H   new
ATOM      0 HG22 THR A  21       9.789  51.587  80.604  1.00  0.00           H   new
ATOM      0 HG23 THR A  21      11.274  50.653  80.899  1.00  0.00           H   new
ATOM    305  N   GLY A  22      12.129  55.309  82.556  1.00  0.00           N
ATOM    306  CA  GLY A  22      11.855  56.730  82.921  1.00  0.00           C
ATOM    307  C   GLY A  22      10.724  56.780  83.960  1.00  0.00           C
ATOM    308  O   GLY A  22       9.596  57.100  83.641  1.00  0.00           O
ATOM      0  H   GLY A  22      12.806  54.829  83.149  1.00  0.00           H   new
ATOM      0  HA2 GLY A  22      12.755  57.194  83.324  1.00  0.00           H   new
ATOM      0  HA3 GLY A  22      11.574  57.297  82.034  1.00  0.00           H   new
ATOM    312  N   GLU A  23      11.008  56.456  85.198  1.00  0.00           N
ATOM    313  CA  GLU A  23       9.944  56.478  86.239  1.00  0.00           C
ATOM    314  C   GLU A  23      10.572  56.141  87.596  1.00  0.00           C
ATOM    315  O   GLU A  23      11.668  55.621  87.665  1.00  0.00           O
ATOM    316  CB  GLU A  23       8.881  55.431  85.888  1.00  0.00           C
ATOM    317  CG  GLU A  23       7.486  55.999  86.161  1.00  0.00           C
ATOM    318  CD  GLU A  23       7.272  57.253  85.312  1.00  0.00           C
ATOM    319  OE1 GLU A  23       7.167  57.116  84.105  1.00  0.00           O
ATOM    320  OE2 GLU A  23       7.218  58.330  85.883  1.00  0.00           O
ATOM      0  H   GLU A  23      11.932  56.178  85.529  1.00  0.00           H   new
ATOM      0  HA  GLU A  23       9.481  57.464  86.285  1.00  0.00           H   new
ATOM      0  HB2 GLU A  23       8.969  55.147  84.839  1.00  0.00           H   new
ATOM      0  HB3 GLU A  23       9.038  54.528  86.478  1.00  0.00           H   new
ATOM      0  HG2 GLU A  23       6.726  55.254  85.927  1.00  0.00           H   new
ATOM      0  HG3 GLU A  23       7.380  56.240  87.219  1.00  0.00           H   new
ATOM    327  N   CYS A  24       9.894  56.432  88.677  1.00  0.00           N
ATOM    328  CA  CYS A  24      10.471  56.125  90.015  1.00  0.00           C
ATOM    329  C   CYS A  24      10.991  54.687  90.021  1.00  0.00           C
ATOM    330  O   CYS A  24      10.238  53.743  89.904  1.00  0.00           O
ATOM    331  CB  CYS A  24       9.387  56.276  91.085  1.00  0.00           C
ATOM    332  SG  CYS A  24       9.332  57.994  91.651  1.00  0.00           S
ATOM      0  H   CYS A  24       8.971  56.866  88.689  1.00  0.00           H   new
ATOM      0  HA  CYS A  24      11.289  56.813  90.227  1.00  0.00           H   new
ATOM      0  HB2 CYS A  24       8.418  55.984  90.680  1.00  0.00           H   new
ATOM      0  HB3 CYS A  24       9.594  55.612  91.924  1.00  0.00           H   new
ATOM    337  N   LEU A  25      12.279  54.518  90.147  1.00  0.00           N
ATOM    338  CA  LEU A  25      12.855  53.142  90.151  1.00  0.00           C
ATOM    339  C   LEU A  25      13.635  52.926  91.450  1.00  0.00           C
ATOM    340  O   LEU A  25      14.376  51.976  91.597  1.00  0.00           O
ATOM    341  CB  LEU A  25      13.780  52.996  88.937  1.00  0.00           C
ATOM    342  CG  LEU A  25      14.589  51.714  89.025  1.00  0.00           C
ATOM    343  CD1 LEU A  25      13.661  50.545  89.351  1.00  0.00           C
ATOM    344  CD2 LEU A  25      15.272  51.446  87.684  1.00  0.00           C
ATOM      0  H   LEU A  25      12.958  55.273  90.247  1.00  0.00           H   new
ATOM      0  HA  LEU A  25      12.064  52.395  90.092  1.00  0.00           H   new
ATOM      0  HB2 LEU A  25      13.188  52.996  88.022  1.00  0.00           H   new
ATOM      0  HB3 LEU A  25      14.452  53.852  88.882  1.00  0.00           H   new
ATOM      0  HG  LEU A  25      15.341  51.818  89.807  1.00  0.00           H   new
ATOM      0 HD11 LEU A  25      14.243  49.625  89.414  1.00  0.00           H   new
ATOM      0 HD12 LEU A  25      13.167  50.728  90.305  1.00  0.00           H   new
ATOM      0 HD13 LEU A  25      12.910  50.447  88.567  1.00  0.00           H   new
ATOM      0 HD21 LEU A  25      15.852  50.526  87.749  1.00  0.00           H   new
ATOM      0 HD22 LEU A  25      14.517  51.345  86.905  1.00  0.00           H   new
ATOM      0 HD23 LEU A  25      15.935  52.276  87.441  1.00  0.00           H   new
ATOM    356  N   LYS A  26      13.466  53.803  92.399  1.00  0.00           N
ATOM    357  CA  LYS A  26      14.190  53.654  93.690  1.00  0.00           C
ATOM    358  C   LYS A  26      13.394  54.348  94.801  1.00  0.00           C
ATOM    359  O   LYS A  26      13.827  55.343  95.348  1.00  0.00           O
ATOM    360  CB  LYS A  26      15.567  54.310  93.577  1.00  0.00           C
ATOM    361  CG  LYS A  26      16.332  53.694  92.404  1.00  0.00           C
ATOM    362  CD  LYS A  26      17.714  54.345  92.295  1.00  0.00           C
ATOM    363  CE  LYS A  26      17.862  55.006  90.923  1.00  0.00           C
ATOM    364  NZ  LYS A  26      18.177  53.969  89.900  1.00  0.00           N
ATOM      0  H   LYS A  26      12.856  54.618  92.336  1.00  0.00           H   new
ATOM      0  HA  LYS A  26      14.304  52.595  93.924  1.00  0.00           H   new
ATOM      0  HB2 LYS A  26      15.458  55.385  93.430  1.00  0.00           H   new
ATOM      0  HB3 LYS A  26      16.125  54.170  94.503  1.00  0.00           H   new
ATOM      0  HG2 LYS A  26      16.436  52.619  92.549  1.00  0.00           H   new
ATOM      0  HG3 LYS A  26      15.776  53.839  91.478  1.00  0.00           H   new
ATOM      0  HD2 LYS A  26      17.841  55.087  93.083  1.00  0.00           H   new
ATOM      0  HD3 LYS A  26      18.493  53.595  92.435  1.00  0.00           H   new
ATOM      0  HE2 LYS A  26      16.941  55.526  90.657  1.00  0.00           H   new
ATOM      0  HE3 LYS A  26      18.654  55.755  90.952  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  26      18.277  54.420  88.968  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  26      19.066  53.492  90.151  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  26      17.407  53.270  89.866  1.00  0.00           H   new
ATOM    378  N   CYS A  27      12.235  53.844  95.145  1.00  0.00           N
ATOM    379  CA  CYS A  27      11.447  54.503  96.218  1.00  0.00           C
ATOM    380  C   CYS A  27      12.337  54.655  97.452  1.00  0.00           C
ATOM    381  O   CYS A  27      13.240  53.871  97.672  1.00  0.00           O
ATOM    382  CB  CYS A  27      10.228  53.645  96.560  1.00  0.00           C
ATOM    383  SG  CYS A  27       9.323  53.249  95.042  1.00  0.00           S
ATOM      0  H   CYS A  27      11.809  53.015  94.732  1.00  0.00           H   new
ATOM      0  HA  CYS A  27      11.105  55.483  95.884  1.00  0.00           H   new
ATOM      0  HB2 CYS A  27      10.544  52.728  97.058  1.00  0.00           H   new
ATOM      0  HB3 CYS A  27       9.579  54.177  97.255  1.00  0.00           H   new
ATOM    388  N   ILE A  28      12.119  55.669  98.242  1.00  0.00           N
ATOM    389  CA  ILE A  28      12.995  55.864  99.438  1.00  0.00           C
ATOM    390  C   ILE A  28      12.304  55.454 100.744  1.00  0.00           C
ATOM    391  O   ILE A  28      12.773  54.586 101.447  1.00  0.00           O
ATOM    392  CB  ILE A  28      13.438  57.330  99.545  1.00  0.00           C
ATOM    393  CG1 ILE A  28      12.546  58.242  98.706  1.00  0.00           C
ATOM    394  CG2 ILE A  28      14.876  57.469  99.049  1.00  0.00           C
ATOM    395  CD1 ILE A  28      12.708  59.684  99.188  1.00  0.00           C
ATOM      0  H   ILE A  28      11.383  56.364  98.117  1.00  0.00           H   new
ATOM      0  HA  ILE A  28      13.862  55.218  99.297  1.00  0.00           H   new
ATOM      0  HB  ILE A  28      13.362  57.626 100.591  1.00  0.00           H   new
ATOM      0 HG12 ILE A  28      12.815  58.165  97.653  1.00  0.00           H   new
ATOM      0 HG13 ILE A  28      11.505  57.932  98.792  1.00  0.00           H   new
ATOM      0 HG21 ILE A  28      15.188  58.510  99.126  1.00  0.00           H   new
ATOM      0 HG22 ILE A  28      15.533  56.847  99.658  1.00  0.00           H   new
ATOM      0 HG23 ILE A  28      14.935  57.148  98.009  1.00  0.00           H   new
ATOM      0 HD11 ILE A  28      12.073  60.340  98.592  1.00  0.00           H   new
ATOM      0 HD12 ILE A  28      12.418  59.752 100.236  1.00  0.00           H   new
ATOM      0 HD13 ILE A  28      13.749  59.989  99.079  1.00  0.00           H   new
ATOM    407  N   TYR A  29      11.242  56.115 101.094  1.00  0.00           N
ATOM    408  CA  TYR A  29      10.536  55.829 102.387  1.00  0.00           C
ATOM    409  C   TYR A  29       9.820  54.466 102.395  1.00  0.00           C
ATOM    410  O   TYR A  29       8.606  54.407 102.372  1.00  0.00           O
ATOM    411  CB  TYR A  29       9.491  56.917 102.632  1.00  0.00           C
ATOM    412  CG  TYR A  29      10.152  58.274 102.629  1.00  0.00           C
ATOM    413  CD1 TYR A  29      10.978  58.654 103.693  1.00  0.00           C
ATOM    414  CD2 TYR A  29       9.933  59.157 101.564  1.00  0.00           C
ATOM    415  CE1 TYR A  29      11.585  59.914 103.693  1.00  0.00           C
ATOM    416  CE2 TYR A  29      10.539  60.418 101.564  1.00  0.00           C
ATOM    417  CZ  TYR A  29      11.366  60.797 102.627  1.00  0.00           C
ATOM    418  OH  TYR A  29      11.963  62.041 102.629  1.00  0.00           O
ATOM      0  H   TYR A  29      10.819  56.856 100.535  1.00  0.00           H   new
ATOM      0  HA  TYR A  29      11.297  55.810 103.168  1.00  0.00           H   new
ATOM      0  HB2 TYR A  29       8.722  56.876 101.860  1.00  0.00           H   new
ATOM      0  HB3 TYR A  29       8.994  56.747 103.587  1.00  0.00           H   new
ATOM      0  HD1 TYR A  29      11.147  57.974 104.515  1.00  0.00           H   new
ATOM      0  HD2 TYR A  29       9.296  58.864 100.742  1.00  0.00           H   new
ATOM      0  HE1 TYR A  29      12.222  60.206 104.514  1.00  0.00           H   new
ATOM      0  HE2 TYR A  29      10.368  61.099 100.743  1.00  0.00           H   new
ATOM      0  HH  TYR A  29      11.708  62.527 101.817  1.00  0.00           H   new
ATOM    428  N   ASN A  30      10.560  53.385 102.478  1.00  0.00           N
ATOM    429  CA  ASN A  30       9.954  52.017 102.544  1.00  0.00           C
ATOM    430  C   ASN A  30       8.596  51.986 101.854  1.00  0.00           C
ATOM    431  O   ASN A  30       7.588  51.662 102.451  1.00  0.00           O
ATOM    432  CB  ASN A  30       9.787  51.610 104.009  1.00  0.00           C
ATOM    433  CG  ASN A  30      11.052  50.896 104.488  1.00  0.00           C
ATOM    434  OD1 ASN A  30      12.097  51.012 103.879  1.00  0.00           O
ATOM    435  ND2 ASN A  30      11.003  50.157 105.563  1.00  0.00           N
ATOM      0  H   ASN A  30      11.580  53.395 102.503  1.00  0.00           H   new
ATOM      0  HA  ASN A  30      10.617  51.320 102.032  1.00  0.00           H   new
ATOM      0  HB2 ASN A  30       9.599  52.491 104.623  1.00  0.00           H   new
ATOM      0  HB3 ASN A  30       8.923  50.955 104.119  1.00  0.00           H   new
ATOM      0 HD21 ASN A  30      11.841  49.678 105.891  1.00  0.00           H   new
ATOM      0 HD22 ASN A  30      10.126  50.059 106.075  1.00  0.00           H   new
ATOM    442  N   THR A  31       8.564  52.312 100.603  1.00  0.00           N
ATOM    443  CA  THR A  31       7.268  52.296  99.865  1.00  0.00           C
ATOM    444  C   THR A  31       7.390  51.341  98.677  1.00  0.00           C
ATOM    445  O   THR A  31       8.468  51.113  98.163  1.00  0.00           O
ATOM    446  CB  THR A  31       6.944  53.704  99.364  1.00  0.00           C
ATOM    447  OG1 THR A  31       8.062  54.224  98.660  1.00  0.00           O
ATOM    448  CG2 THR A  31       6.622  54.610 100.553  1.00  0.00           C
ATOM      0  H   THR A  31       9.376  52.590 100.052  1.00  0.00           H   new
ATOM      0  HA  THR A  31       6.468  51.963 100.527  1.00  0.00           H   new
ATOM      0  HB  THR A  31       6.082  53.662  98.698  1.00  0.00           H   new
ATOM      0  HG1 THR A  31       8.648  54.701  99.284  1.00  0.00           H   new
ATOM      0 HG21 THR A  31       6.391  55.613 100.194  1.00  0.00           H   new
ATOM      0 HG22 THR A  31       5.763  54.211 101.092  1.00  0.00           H   new
ATOM      0 HG23 THR A  31       7.482  54.653 101.221  1.00  0.00           H   new
ATOM    456  N   ALA A  32       6.303  50.762  98.246  1.00  0.00           N
ATOM    457  CA  ALA A  32       6.383  49.806  97.104  1.00  0.00           C
ATOM    458  C   ALA A  32       5.533  50.301  95.935  1.00  0.00           C
ATOM    459  O   ALA A  32       5.076  51.426  95.913  1.00  0.00           O
ATOM    460  CB  ALA A  32       5.877  48.434  97.553  1.00  0.00           C
ATOM      0  H   ALA A  32       5.370  50.907  98.631  1.00  0.00           H   new
ATOM      0  HA  ALA A  32       7.421  49.731  96.780  1.00  0.00           H   new
ATOM      0  HB1 ALA A  32       5.935  47.734  96.719  1.00  0.00           H   new
ATOM      0  HB2 ALA A  32       6.493  48.070  98.375  1.00  0.00           H   new
ATOM      0  HB3 ALA A  32       4.842  48.519  97.885  1.00  0.00           H   new
ATOM    466  N   GLY A  33       5.325  49.461  94.956  1.00  0.00           N
ATOM    467  CA  GLY A  33       4.513  49.867  93.777  1.00  0.00           C
ATOM    468  C   GLY A  33       5.429  50.497  92.728  1.00  0.00           C
ATOM    469  O   GLY A  33       6.450  51.071  93.046  1.00  0.00           O
ATOM      0  H   GLY A  33       5.685  48.507  94.924  1.00  0.00           H   new
ATOM      0  HA2 GLY A  33       4.001  49.001  93.357  1.00  0.00           H   new
ATOM      0  HA3 GLY A  33       3.743  50.577  94.078  1.00  0.00           H   new
ATOM    473  N   PHE A  34       5.076  50.386  91.480  1.00  0.00           N
ATOM    474  CA  PHE A  34       5.933  50.973  90.410  1.00  0.00           C
ATOM    475  C   PHE A  34       6.136  52.477  90.667  1.00  0.00           C
ATOM    476  O   PHE A  34       7.157  53.037  90.319  1.00  0.00           O
ATOM    477  CB  PHE A  34       5.256  50.765  89.047  1.00  0.00           C
ATOM    478  CG  PHE A  34       6.232  51.051  87.925  1.00  0.00           C
ATOM    479  CD1 PHE A  34       7.517  50.499  87.956  1.00  0.00           C
ATOM    480  CD2 PHE A  34       5.847  51.865  86.847  1.00  0.00           C
ATOM    481  CE1 PHE A  34       8.419  50.759  86.917  1.00  0.00           C
ATOM    482  CE2 PHE A  34       6.749  52.122  85.808  1.00  0.00           C
ATOM    483  CZ  PHE A  34       8.035  51.570  85.843  1.00  0.00           C
ATOM      0  H   PHE A  34       4.233  49.915  91.152  1.00  0.00           H   new
ATOM      0  HA  PHE A  34       6.905  50.480  90.413  1.00  0.00           H   new
ATOM      0  HB2 PHE A  34       4.890  49.741  88.968  1.00  0.00           H   new
ATOM      0  HB3 PHE A  34       4.390  51.421  88.960  1.00  0.00           H   new
ATOM      0  HD1 PHE A  34       7.814  49.871  88.783  1.00  0.00           H   new
ATOM      0  HD2 PHE A  34       4.856  52.292  86.820  1.00  0.00           H   new
ATOM      0  HE1 PHE A  34       9.411  50.334  86.944  1.00  0.00           H   new
ATOM      0  HE2 PHE A  34       6.453  52.747  84.978  1.00  0.00           H   new
ATOM      0  HZ  PHE A  34       8.731  51.770  85.041  1.00  0.00           H   new
ATOM    493  N   TYR A  35       5.179  53.140  91.273  1.00  0.00           N
ATOM    494  CA  TYR A  35       5.336  54.598  91.541  1.00  0.00           C
ATOM    495  C   TYR A  35       5.395  54.832  93.053  1.00  0.00           C
ATOM    496  O   TYR A  35       4.955  55.850  93.549  1.00  0.00           O
ATOM    497  CB  TYR A  35       4.134  55.353  90.965  1.00  0.00           C
ATOM    498  CG  TYR A  35       4.260  55.449  89.462  1.00  0.00           C
ATOM    499  CD1 TYR A  35       3.739  54.436  88.648  1.00  0.00           C
ATOM    500  CD2 TYR A  35       4.894  56.556  88.884  1.00  0.00           C
ATOM    501  CE1 TYR A  35       3.851  54.530  87.255  1.00  0.00           C
ATOM    502  CE2 TYR A  35       5.007  56.648  87.491  1.00  0.00           C
ATOM    503  CZ  TYR A  35       4.486  55.635  86.677  1.00  0.00           C
ATOM    504  OH  TYR A  35       4.597  55.730  85.304  1.00  0.00           O
ATOM      0  H   TYR A  35       4.300  52.732  91.591  1.00  0.00           H   new
ATOM      0  HA  TYR A  35       6.254  54.956  91.075  1.00  0.00           H   new
ATOM      0  HB2 TYR A  35       3.210  54.839  91.229  1.00  0.00           H   new
ATOM      0  HB3 TYR A  35       4.079  56.351  91.399  1.00  0.00           H   new
ATOM      0  HD1 TYR A  35       3.251  53.582  89.094  1.00  0.00           H   new
ATOM      0  HD2 TYR A  35       5.295  57.338  89.512  1.00  0.00           H   new
ATOM      0  HE1 TYR A  35       3.447  53.750  86.627  1.00  0.00           H   new
ATOM      0  HE2 TYR A  35       5.496  57.501  87.044  1.00  0.00           H   new
ATOM      0  HH  TYR A  35       4.601  56.674  85.041  1.00  0.00           H   new
ATOM    514  N   CYS A  36       5.929  53.897  93.789  1.00  0.00           N
ATOM    515  CA  CYS A  36       6.006  54.067  95.268  1.00  0.00           C
ATOM    516  C   CYS A  36       4.629  54.481  95.794  1.00  0.00           C
ATOM    517  O   CYS A  36       4.510  55.337  96.648  1.00  0.00           O
ATOM    518  CB  CYS A  36       7.034  55.150  95.609  1.00  0.00           C
ATOM    519  SG  CYS A  36       8.462  54.997  94.506  1.00  0.00           S
ATOM      0  H   CYS A  36       6.315  53.023  93.431  1.00  0.00           H   new
ATOM      0  HA  CYS A  36       6.310  53.128  95.731  1.00  0.00           H   new
ATOM      0  HB2 CYS A  36       6.585  56.138  95.505  1.00  0.00           H   new
ATOM      0  HB3 CYS A  36       7.351  55.051  96.647  1.00  0.00           H   new
ATOM    524  N   ASP A  37       3.588  53.883  95.281  1.00  0.00           N
ATOM    525  CA  ASP A  37       2.216  54.241  95.740  1.00  0.00           C
ATOM    526  C   ASP A  37       1.758  53.265  96.826  1.00  0.00           C
ATOM    527  O   ASP A  37       0.613  53.275  97.233  1.00  0.00           O
ATOM    528  CB  ASP A  37       1.250  54.169  94.556  1.00  0.00           C
ATOM    529  CG  ASP A  37       0.225  55.299  94.664  1.00  0.00           C
ATOM    530  OD1 ASP A  37       0.625  56.403  94.999  1.00  0.00           O
ATOM    531  OD2 ASP A  37      -0.940  55.044  94.409  1.00  0.00           O
ATOM      0  H   ASP A  37       3.629  53.160  94.562  1.00  0.00           H   new
ATOM      0  HA  ASP A  37       2.227  55.252  96.147  1.00  0.00           H   new
ATOM      0  HB2 ASP A  37       1.800  54.251  93.619  1.00  0.00           H   new
ATOM      0  HB3 ASP A  37       0.743  53.204  94.545  1.00  0.00           H   new
ATOM    536  N   ARG A  38       2.633  52.421  97.301  1.00  0.00           N
ATOM    537  CA  ARG A  38       2.230  51.459  98.354  1.00  0.00           C
ATOM    538  C   ARG A  38       3.234  51.503  99.501  1.00  0.00           C
ATOM    539  O   ARG A  38       4.135  52.318  99.533  1.00  0.00           O
ATOM    540  CB  ARG A  38       2.183  50.047  97.767  1.00  0.00           C
ATOM    541  CG  ARG A  38       0.729  49.579  97.681  1.00  0.00           C
ATOM    542  CD  ARG A  38       0.392  48.718  98.901  1.00  0.00           C
ATOM    543  NE  ARG A  38      -1.009  48.223  98.788  1.00  0.00           N
ATOM    544  CZ  ARG A  38      -1.890  48.542  99.697  1.00  0.00           C
ATOM    545  NH1 ARG A  38      -2.512  49.687  99.630  1.00  0.00           N
ATOM    546  NH2 ARG A  38      -2.150  47.715 100.673  1.00  0.00           N
ATOM      0  H   ARG A  38       3.607  52.359  97.003  1.00  0.00           H   new
ATOM      0  HA  ARG A  38       1.243  51.728  98.729  1.00  0.00           H   new
ATOM      0  HB2 ARG A  38       2.638  50.038  96.777  1.00  0.00           H   new
ATOM      0  HB3 ARG A  38       2.760  49.363  98.390  1.00  0.00           H   new
ATOM      0  HG2 ARG A  38       0.062  50.440  97.636  1.00  0.00           H   new
ATOM      0  HG3 ARG A  38       0.574  49.007  96.766  1.00  0.00           H   new
ATOM      0  HD2 ARG A  38       1.082  47.877  98.968  1.00  0.00           H   new
ATOM      0  HD3 ARG A  38       0.511  49.301  99.815  1.00  0.00           H   new
ATOM      0  HE  ARG A  38      -1.280  47.635  98.000  1.00  0.00           H   new
ATOM      0 HH11 ARG A  38      -2.310  50.333  98.867  1.00  0.00           H   new
ATOM      0 HH12 ARG A  38      -3.200  49.936 100.340  1.00  0.00           H   new
ATOM      0 HH21 ARG A  38      -1.665  46.819 100.725  1.00  0.00           H   new
ATOM      0 HH22 ARG A  38      -2.838  47.964 101.383  1.00  0.00           H   new
ATOM    560  N   CYS A  39       3.077  50.623 100.438  1.00  0.00           N
ATOM    561  CA  CYS A  39       3.998  50.577 101.607  1.00  0.00           C
ATOM    562  C   CYS A  39       4.683  49.201 101.628  1.00  0.00           C
ATOM    563  O   CYS A  39       4.055  48.192 101.383  1.00  0.00           O
ATOM    564  CB  CYS A  39       3.164  50.785 102.887  1.00  0.00           C
ATOM    565  SG  CYS A  39       3.174  52.535 103.361  1.00  0.00           S
ATOM      0  H   CYS A  39       2.339  49.919 100.448  1.00  0.00           H   new
ATOM      0  HA  CYS A  39       4.759  51.355 101.544  1.00  0.00           H   new
ATOM      0  HB2 CYS A  39       2.140  50.451 102.721  1.00  0.00           H   new
ATOM      0  HB3 CYS A  39       3.570  50.179 103.697  1.00  0.00           H   new
ATOM    570  N   LYS A  40       5.967  49.142 101.894  1.00  0.00           N
ATOM    571  CA  LYS A  40       6.658  47.820 101.896  1.00  0.00           C
ATOM    572  C   LYS A  40       5.954  46.868 102.869  1.00  0.00           C
ATOM    573  O   LYS A  40       5.429  47.273 103.887  1.00  0.00           O
ATOM    574  CB  LYS A  40       8.115  48.019 102.340  1.00  0.00           C
ATOM    575  CG  LYS A  40       8.708  46.691 102.822  1.00  0.00           C
ATOM    576  CD  LYS A  40      10.172  46.895 103.218  1.00  0.00           C
ATOM    577  CE  LYS A  40      10.937  45.581 103.051  1.00  0.00           C
ATOM    578  NZ  LYS A  40      11.815  45.666 101.851  1.00  0.00           N
ATOM      0  H   LYS A  40       6.558  49.945 102.107  1.00  0.00           H   new
ATOM      0  HA  LYS A  40       6.630  47.392 100.894  1.00  0.00           H   new
ATOM      0  HB2 LYS A  40       8.705  48.409 101.511  1.00  0.00           H   new
ATOM      0  HB3 LYS A  40       8.161  48.758 103.140  1.00  0.00           H   new
ATOM      0  HG2 LYS A  40       8.140  46.315 103.673  1.00  0.00           H   new
ATOM      0  HG3 LYS A  40       8.635  45.941 102.034  1.00  0.00           H   new
ATOM      0  HD2 LYS A  40      10.622  47.671 102.598  1.00  0.00           H   new
ATOM      0  HD3 LYS A  40      10.236  47.236 104.251  1.00  0.00           H   new
ATOM      0  HE2 LYS A  40      11.536  45.381 103.939  1.00  0.00           H   new
ATOM      0  HE3 LYS A  40      10.238  44.752 102.945  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  40      12.335  44.773 101.737  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  40      11.233  45.838 101.006  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  40      12.491  46.447 101.970  1.00  0.00           H   new
ATOM    592  N   GLU A  41       5.942  45.600 102.550  1.00  0.00           N
ATOM    593  CA  GLU A  41       5.279  44.604 103.438  1.00  0.00           C
ATOM    594  C   GLU A  41       5.985  44.589 104.794  1.00  0.00           C
ATOM    595  O   GLU A  41       7.193  44.493 104.875  1.00  0.00           O
ATOM    596  CB  GLU A  41       5.369  43.215 102.802  1.00  0.00           C
ATOM    597  CG  GLU A  41       6.828  42.754 102.789  1.00  0.00           C
ATOM    598  CD  GLU A  41       7.047  41.786 101.626  1.00  0.00           C
ATOM    599  OE1 GLU A  41       6.853  40.597 101.824  1.00  0.00           O
ATOM    600  OE2 GLU A  41       7.406  42.248 100.555  1.00  0.00           O
ATOM      0  H   GLU A  41       6.366  45.211 101.708  1.00  0.00           H   new
ATOM      0  HA  GLU A  41       4.232  44.874 103.573  1.00  0.00           H   new
ATOM      0  HB2 GLU A  41       4.758  42.507 103.361  1.00  0.00           H   new
ATOM      0  HB3 GLU A  41       4.976  43.242 101.786  1.00  0.00           H   new
ATOM      0  HG2 GLU A  41       7.491  43.613 102.690  1.00  0.00           H   new
ATOM      0  HG3 GLU A  41       7.075  42.267 103.733  1.00  0.00           H   new
ATOM    607  N   GLY A  42       5.244  44.708 105.860  1.00  0.00           N
ATOM    608  CA  GLY A  42       5.871  44.730 107.206  1.00  0.00           C
ATOM    609  C   GLY A  42       5.453  46.037 107.846  1.00  0.00           C
ATOM    610  O   GLY A  42       5.141  46.109 109.017  1.00  0.00           O
ATOM      0  H   GLY A  42       4.227  44.791 105.854  1.00  0.00           H   new
ATOM      0  HA2 GLY A  42       5.540  43.881 107.804  1.00  0.00           H   new
ATOM      0  HA3 GLY A  42       6.956  44.663 107.131  1.00  0.00           H   new
ATOM    614  N   PHE A  43       5.396  47.064 107.054  1.00  0.00           N
ATOM    615  CA  PHE A  43       4.942  48.367 107.570  1.00  0.00           C
ATOM    616  C   PHE A  43       3.850  48.894 106.662  1.00  0.00           C
ATOM    617  O   PHE A  43       3.984  48.949 105.455  1.00  0.00           O
ATOM    618  CB  PHE A  43       6.072  49.376 107.602  1.00  0.00           C
ATOM    619  CG  PHE A  43       7.329  48.724 108.118  1.00  0.00           C
ATOM    620  CD1 PHE A  43       8.183  48.053 107.233  1.00  0.00           C
ATOM    621  CD2 PHE A  43       7.644  48.791 109.479  1.00  0.00           C
ATOM    622  CE1 PHE A  43       9.351  47.449 107.713  1.00  0.00           C
ATOM    623  CE2 PHE A  43       8.811  48.187 109.959  1.00  0.00           C
ATOM    624  CZ  PHE A  43       9.666  47.515 109.075  1.00  0.00           C
ATOM      0  H   PHE A  43       5.647  47.052 106.065  1.00  0.00           H   new
ATOM      0  HA  PHE A  43       4.577  48.225 108.587  1.00  0.00           H   new
ATOM      0  HB2 PHE A  43       6.243  49.775 106.602  1.00  0.00           H   new
ATOM      0  HB3 PHE A  43       5.801  50.218 108.239  1.00  0.00           H   new
ATOM      0  HD1 PHE A  43       7.940  48.002 106.182  1.00  0.00           H   new
ATOM      0  HD2 PHE A  43       6.986  49.310 110.160  1.00  0.00           H   new
ATOM      0  HE1 PHE A  43      10.010  46.931 107.031  1.00  0.00           H   new
ATOM      0  HE2 PHE A  43       9.053  48.239 111.010  1.00  0.00           H   new
ATOM      0  HZ  PHE A  43      10.567  47.048 109.445  1.00  0.00           H   new
ATOM    634  N   PHE A  44       2.778  49.285 107.247  1.00  0.00           N
ATOM    635  CA  PHE A  44       1.641  49.831 106.459  1.00  0.00           C
ATOM    636  C   PHE A  44       1.480  51.314 106.789  1.00  0.00           C
ATOM    637  O   PHE A  44       2.285  51.889 107.496  1.00  0.00           O
ATOM    638  CB  PHE A  44       0.357  49.076 106.816  1.00  0.00           C
ATOM    639  CG  PHE A  44       0.651  47.596 106.892  1.00  0.00           C
ATOM    640  CD1 PHE A  44       0.959  46.882 105.727  1.00  0.00           C
ATOM    641  CD2 PHE A  44       0.618  46.939 108.127  1.00  0.00           C
ATOM    642  CE1 PHE A  44       1.232  45.510 105.798  1.00  0.00           C
ATOM    643  CE2 PHE A  44       0.891  45.567 108.198  1.00  0.00           C
ATOM    644  CZ  PHE A  44       1.198  44.853 107.034  1.00  0.00           C
ATOM      0  H   PHE A  44       2.626  49.254 108.255  1.00  0.00           H   new
ATOM      0  HA  PHE A  44       1.836  49.711 105.393  1.00  0.00           H   new
ATOM      0  HB2 PHE A  44      -0.033  49.430 107.770  1.00  0.00           H   new
ATOM      0  HB3 PHE A  44      -0.411  49.268 106.067  1.00  0.00           H   new
ATOM      0  HD1 PHE A  44       0.986  47.389 104.774  1.00  0.00           H   new
ATOM      0  HD2 PHE A  44       0.382  47.490 109.026  1.00  0.00           H   new
ATOM      0  HE1 PHE A  44       1.469  44.959 104.900  1.00  0.00           H   new
ATOM      0  HE2 PHE A  44       0.865  45.060 109.151  1.00  0.00           H   new
ATOM      0  HZ  PHE A  44       1.409  43.795 107.089  1.00  0.00           H   new
ATOM    654  N   GLY A  45       0.457  51.945 106.287  1.00  0.00           N
ATOM    655  CA  GLY A  45       0.271  53.392 106.583  1.00  0.00           C
ATOM    656  C   GLY A  45      -0.104  54.140 105.310  1.00  0.00           C
ATOM    657  O   GLY A  45      -0.844  53.651 104.478  1.00  0.00           O
ATOM      0  H   GLY A  45      -0.254  51.525 105.688  1.00  0.00           H   new
ATOM      0  HA2 GLY A  45      -0.509  53.521 107.333  1.00  0.00           H   new
ATOM      0  HA3 GLY A  45       1.188  53.807 107.002  1.00  0.00           H   new
ATOM    661  N   ASN A  46       0.400  55.328 105.157  1.00  0.00           N
ATOM    662  CA  ASN A  46       0.078  56.128 103.942  1.00  0.00           C
ATOM    663  C   ASN A  46       1.378  56.633 103.314  1.00  0.00           C
ATOM    664  O   ASN A  46       1.967  57.563 103.814  1.00  0.00           O
ATOM    665  CB  ASN A  46      -0.783  57.328 104.342  1.00  0.00           C
ATOM    666  CG  ASN A  46      -2.236  56.884 104.513  1.00  0.00           C
ATOM    667  OD1 ASN A  46      -2.826  56.332 103.605  1.00  0.00           O
ATOM    668  ND2 ASN A  46      -2.843  57.104 105.647  1.00  0.00           N
ATOM      0  H   ASN A  46       1.024  55.784 105.822  1.00  0.00           H   new
ATOM      0  HA  ASN A  46      -0.462  55.508 103.227  1.00  0.00           H   new
ATOM      0  HB2 ASN A  46      -0.413  57.760 105.272  1.00  0.00           H   new
ATOM      0  HB3 ASN A  46      -0.717  58.105 103.581  1.00  0.00           H   new
ATOM      0 HD21 ASN A  46      -3.813  56.813 105.771  1.00  0.00           H   new
ATOM      0 HD22 ASN A  46      -2.348  57.567 106.409  1.00  0.00           H   new
ATOM    675  N   PRO A  47       1.792  56.016 102.241  1.00  0.00           N
ATOM    676  CA  PRO A  47       3.033  56.403 101.555  1.00  0.00           C
ATOM    677  C   PRO A  47       2.835  57.722 100.804  1.00  0.00           C
ATOM    678  O   PRO A  47       3.766  58.293 100.271  1.00  0.00           O
ATOM    679  CB  PRO A  47       3.303  55.236 100.604  1.00  0.00           C
ATOM    680  CG  PRO A  47       1.945  54.527 100.391  1.00  0.00           C
ATOM    681  CD  PRO A  47       1.066  54.898 101.601  1.00  0.00           C
ATOM      0  HA  PRO A  47       3.869  56.576 102.232  1.00  0.00           H   new
ATOM      0  HB2 PRO A  47       3.709  55.592  99.657  1.00  0.00           H   new
ATOM      0  HB3 PRO A  47       4.037  54.551 101.028  1.00  0.00           H   new
ATOM      0  HG2 PRO A  47       1.480  54.850  99.460  1.00  0.00           H   new
ATOM      0  HG3 PRO A  47       2.077  53.447 100.323  1.00  0.00           H   new
ATOM      0  HD2 PRO A  47       0.065  55.198 101.290  1.00  0.00           H   new
ATOM      0  HD3 PRO A  47       0.949  54.056 102.283  1.00  0.00           H   new
ATOM    689  N   LEU A  48       1.628  58.220 100.778  1.00  0.00           N
ATOM    690  CA  LEU A  48       1.369  59.513 100.086  1.00  0.00           C
ATOM    691  C   LEU A  48       1.058  60.585 101.138  1.00  0.00           C
ATOM    692  O   LEU A  48       0.206  61.428 100.947  1.00  0.00           O
ATOM    693  CB  LEU A  48       0.174  59.361  99.139  1.00  0.00           C
ATOM    694  CG  LEU A  48       0.642  59.540  97.693  1.00  0.00           C
ATOM    695  CD1 LEU A  48       1.008  61.007  97.451  1.00  0.00           C
ATOM    696  CD2 LEU A  48       1.869  58.661  97.442  1.00  0.00           C
ATOM      0  H   LEU A  48       0.810  57.786 101.207  1.00  0.00           H   new
ATOM      0  HA  LEU A  48       2.246  59.804  99.508  1.00  0.00           H   new
ATOM      0  HB2 LEU A  48      -0.281  58.379  99.266  1.00  0.00           H   new
ATOM      0  HB3 LEU A  48      -0.590  60.100  99.379  1.00  0.00           H   new
ATOM      0  HG  LEU A  48      -0.160  59.249  97.014  1.00  0.00           H   new
ATOM      0 HD11 LEU A  48       1.341  61.134  96.421  1.00  0.00           H   new
ATOM      0 HD12 LEU A  48       0.135  61.634  97.630  1.00  0.00           H   new
ATOM      0 HD13 LEU A  48       1.809  61.299  98.130  1.00  0.00           H   new
ATOM      0 HD21 LEU A  48       2.203  58.788  96.412  1.00  0.00           H   new
ATOM      0 HD22 LEU A  48       2.670  58.952  98.122  1.00  0.00           H   new
ATOM      0 HD23 LEU A  48       1.609  57.616  97.613  1.00  0.00           H   new
ATOM    708  N   ALA A  49       1.747  60.552 102.251  1.00  0.00           N
ATOM    709  CA  ALA A  49       1.498  61.560 103.321  1.00  0.00           C
ATOM    710  C   ALA A  49       2.467  62.732 103.141  1.00  0.00           C
ATOM    711  O   ALA A  49       3.503  62.583 102.524  1.00  0.00           O
ATOM    712  CB  ALA A  49       1.728  60.905 104.688  1.00  0.00           C
ATOM      0  H   ALA A  49       2.473  59.868 102.463  1.00  0.00           H   new
ATOM      0  HA  ALA A  49       0.473  61.925 103.260  1.00  0.00           H   new
ATOM      0  HB1 ALA A  49       1.548  61.636 105.476  1.00  0.00           H   new
ATOM      0  HB2 ALA A  49       1.044  60.065 104.809  1.00  0.00           H   new
ATOM      0  HB3 ALA A  49       2.756  60.548 104.752  1.00  0.00           H   new
ATOM    718  N   PRO A  50       2.107  63.866 103.689  1.00  0.00           N
ATOM    719  CA  PRO A  50       2.937  65.079 103.604  1.00  0.00           C
ATOM    720  C   PRO A  50       4.129  64.965 104.557  1.00  0.00           C
ATOM    721  O   PRO A  50       5.093  65.697 104.452  1.00  0.00           O
ATOM    722  CB  PRO A  50       1.988  66.201 104.031  1.00  0.00           C
ATOM    723  CG  PRO A  50       0.867  65.528 104.858  1.00  0.00           C
ATOM    724  CD  PRO A  50       0.847  64.045 104.444  1.00  0.00           C
ATOM      0  HA  PRO A  50       3.356  65.250 102.612  1.00  0.00           H   new
ATOM      0  HB2 PRO A  50       2.513  66.950 104.624  1.00  0.00           H   new
ATOM      0  HB3 PRO A  50       1.576  66.714 103.162  1.00  0.00           H   new
ATOM      0  HG2 PRO A  50       1.059  65.630 105.926  1.00  0.00           H   new
ATOM      0  HG3 PRO A  50      -0.096  65.999 104.661  1.00  0.00           H   new
ATOM      0  HD2 PRO A  50       0.806  63.389 105.313  1.00  0.00           H   new
ATOM      0  HD3 PRO A  50      -0.023  63.814 103.829  1.00  0.00           H   new
ATOM    732  N   ASN A  51       4.072  64.046 105.479  1.00  0.00           N
ATOM    733  CA  ASN A  51       5.204  63.878 106.432  1.00  0.00           C
ATOM    734  C   ASN A  51       6.066  62.693 105.978  1.00  0.00           C
ATOM    735  O   ASN A  51       5.543  61.655 105.627  1.00  0.00           O
ATOM    736  CB  ASN A  51       4.656  63.607 107.834  1.00  0.00           C
ATOM    737  CG  ASN A  51       4.775  64.877 108.680  1.00  0.00           C
ATOM    738  OD1 ASN A  51       4.998  65.950 108.155  1.00  0.00           O
ATOM    739  ND2 ASN A  51       4.633  64.801 109.975  1.00  0.00           N
ATOM      0  H   ASN A  51       3.291  63.404 105.614  1.00  0.00           H   new
ATOM      0  HA  ASN A  51       5.807  64.785 106.453  1.00  0.00           H   new
ATOM      0  HB2 ASN A  51       3.614  63.292 107.775  1.00  0.00           H   new
ATOM      0  HB3 ASN A  51       5.209  62.792 108.301  1.00  0.00           H   new
ATOM      0 HD21 ASN A  51       4.709  65.642 110.547  1.00  0.00           H   new
ATOM      0 HD22 ASN A  51       4.446  63.900 110.416  1.00  0.00           H   new
ATOM    746  N   PRO A  52       7.364  62.877 105.997  1.00  0.00           N
ATOM    747  CA  PRO A  52       8.314  61.825 105.589  1.00  0.00           C
ATOM    748  C   PRO A  52       8.433  60.747 106.676  1.00  0.00           C
ATOM    749  O   PRO A  52       8.874  59.645 106.417  1.00  0.00           O
ATOM    750  CB  PRO A  52       9.634  62.580 105.416  1.00  0.00           C
ATOM    751  CG  PRO A  52       9.513  63.869 106.258  1.00  0.00           C
ATOM    752  CD  PRO A  52       8.006  64.137 106.428  1.00  0.00           C
ATOM      0  HA  PRO A  52       8.007  61.301 104.684  1.00  0.00           H   new
ATOM      0  HB2 PRO A  52      10.475  61.974 105.753  1.00  0.00           H   new
ATOM      0  HB3 PRO A  52       9.811  62.817 104.367  1.00  0.00           H   new
ATOM      0  HG2 PRO A  52       9.998  63.747 107.227  1.00  0.00           H   new
ATOM      0  HG3 PRO A  52      10.003  64.706 105.760  1.00  0.00           H   new
ATOM      0  HD2 PRO A  52       7.758  64.377 107.462  1.00  0.00           H   new
ATOM      0  HD3 PRO A  52       7.680  64.979 105.818  1.00  0.00           H   new
ATOM    760  N   ALA A  53       8.046  61.048 107.891  1.00  0.00           N
ATOM    761  CA  ALA A  53       8.145  60.028 108.974  1.00  0.00           C
ATOM    762  C   ALA A  53       6.751  59.483 109.296  1.00  0.00           C
ATOM    763  O   ALA A  53       6.591  58.625 110.141  1.00  0.00           O
ATOM    764  CB  ALA A  53       8.743  60.672 110.227  1.00  0.00           C
ATOM      0  H   ALA A  53       7.668  61.951 108.176  1.00  0.00           H   new
ATOM      0  HA  ALA A  53       8.785  59.210 108.643  1.00  0.00           H   new
ATOM      0  HB1 ALA A  53       8.816  59.927 111.019  1.00  0.00           H   new
ATOM      0  HB2 ALA A  53       9.737  61.058 109.999  1.00  0.00           H   new
ATOM      0  HB3 ALA A  53       8.103  61.491 110.556  1.00  0.00           H   new
ATOM    770  N   ASP A  54       5.739  59.975 108.632  1.00  0.00           N
ATOM    771  CA  ASP A  54       4.357  59.485 108.905  1.00  0.00           C
ATOM    772  C   ASP A  54       3.876  58.619 107.739  1.00  0.00           C
ATOM    773  O   ASP A  54       2.789  58.076 107.766  1.00  0.00           O
ATOM    774  CB  ASP A  54       3.418  60.682 109.058  1.00  0.00           C
ATOM    775  CG  ASP A  54       3.519  61.232 110.482  1.00  0.00           C
ATOM    776  OD1 ASP A  54       4.622  61.277 111.002  1.00  0.00           O
ATOM    777  OD2 ASP A  54       2.492  61.598 111.029  1.00  0.00           O
ATOM      0  H   ASP A  54       5.810  60.695 107.913  1.00  0.00           H   new
ATOM      0  HA  ASP A  54       4.359  58.894 109.821  1.00  0.00           H   new
ATOM      0  HB2 ASP A  54       3.680  61.457 108.338  1.00  0.00           H   new
ATOM      0  HB3 ASP A  54       2.392  60.382 108.845  1.00  0.00           H   new
ATOM    782  N   LYS A  55       4.664  58.501 106.709  1.00  0.00           N
ATOM    783  CA  LYS A  55       4.231  57.686 105.536  1.00  0.00           C
ATOM    784  C   LYS A  55       3.955  56.233 105.967  1.00  0.00           C
ATOM    785  O   LYS A  55       2.951  55.955 106.599  1.00  0.00           O
ATOM    786  CB  LYS A  55       5.315  57.731 104.458  1.00  0.00           C
ATOM    787  CG  LYS A  55       5.293  59.108 103.786  1.00  0.00           C
ATOM    788  CD  LYS A  55       6.612  59.346 103.050  1.00  0.00           C
ATOM    789  CE  LYS A  55       6.401  60.389 101.952  1.00  0.00           C
ATOM    790  NZ  LYS A  55       7.090  61.656 102.328  1.00  0.00           N
ATOM      0  H   LYS A  55       5.585  58.930 106.626  1.00  0.00           H   new
ATOM      0  HA  LYS A  55       3.308  58.100 105.130  1.00  0.00           H   new
ATOM      0  HB2 LYS A  55       6.294  57.543 104.900  1.00  0.00           H   new
ATOM      0  HB3 LYS A  55       5.144  56.948 103.719  1.00  0.00           H   new
ATOM      0  HG2 LYS A  55       4.459  59.168 103.086  1.00  0.00           H   new
ATOM      0  HG3 LYS A  55       5.138  59.885 104.534  1.00  0.00           H   new
ATOM      0  HD2 LYS A  55       7.375  59.688 103.750  1.00  0.00           H   new
ATOM      0  HD3 LYS A  55       6.972  58.413 102.616  1.00  0.00           H   new
ATOM      0  HE2 LYS A  55       6.791  60.018 101.004  1.00  0.00           H   new
ATOM      0  HE3 LYS A  55       5.336  60.571 101.809  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  55       7.018  62.336 101.544  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  55       6.641  62.057 103.176  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  55       8.092  61.461 102.526  1.00  0.00           H   new
ATOM    804  N   CYS A  56       4.820  55.301 105.638  1.00  0.00           N
ATOM    805  CA  CYS A  56       4.578  53.887 106.049  1.00  0.00           C
ATOM    806  C   CYS A  56       4.883  53.754 107.544  1.00  0.00           C
ATOM    807  O   CYS A  56       5.307  54.697 108.180  1.00  0.00           O
ATOM    808  CB  CYS A  56       5.504  52.948 105.264  1.00  0.00           C
ATOM    809  SG  CYS A  56       5.128  53.034 103.494  1.00  0.00           S
ATOM      0  H   CYS A  56       5.676  55.460 105.107  1.00  0.00           H   new
ATOM      0  HA  CYS A  56       3.541  53.619 105.846  1.00  0.00           H   new
ATOM      0  HB2 CYS A  56       6.544  53.224 105.436  1.00  0.00           H   new
ATOM      0  HB3 CYS A  56       5.383  51.925 105.620  1.00  0.00           H   new
ATOM    814  N   LYS A  57       4.680  52.592 108.109  1.00  0.00           N
ATOM    815  CA  LYS A  57       4.971  52.406 109.564  1.00  0.00           C
ATOM    816  C   LYS A  57       4.289  51.134 110.070  1.00  0.00           C
ATOM    817  O   LYS A  57       3.283  50.702 109.541  1.00  0.00           O
ATOM    818  CB  LYS A  57       4.454  53.608 110.361  1.00  0.00           C
ATOM    819  CG  LYS A  57       5.620  54.542 110.700  1.00  0.00           C
ATOM    820  CD  LYS A  57       5.953  54.428 112.189  1.00  0.00           C
ATOM    821  CE  LYS A  57       5.513  55.702 112.914  1.00  0.00           C
ATOM    822  NZ  LYS A  57       4.050  55.906 112.723  1.00  0.00           N
ATOM      0  H   LYS A  57       4.326  51.765 107.628  1.00  0.00           H   new
ATOM      0  HA  LYS A  57       6.049  52.321 109.698  1.00  0.00           H   new
ATOM      0  HB2 LYS A  57       3.702  54.144 109.782  1.00  0.00           H   new
ATOM      0  HB3 LYS A  57       3.969  53.269 111.276  1.00  0.00           H   new
ATOM      0  HG2 LYS A  57       6.493  54.283 110.101  1.00  0.00           H   new
ATOM      0  HG3 LYS A  57       5.358  55.571 110.453  1.00  0.00           H   new
ATOM      0  HD2 LYS A  57       5.451  53.561 112.619  1.00  0.00           H   new
ATOM      0  HD3 LYS A  57       7.024  54.274 112.321  1.00  0.00           H   new
ATOM      0  HE2 LYS A  57       5.744  55.626 113.977  1.00  0.00           H   new
ATOM      0  HE3 LYS A  57       6.063  56.560 112.529  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  57       3.683  56.517 113.481  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  57       3.880  56.357 111.802  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  57       3.564  54.987 112.753  1.00  0.00           H   new
ATOM    836  N   ALA A  58       4.830  50.532 111.095  1.00  0.00           N
ATOM    837  CA  ALA A  58       4.218  49.289 111.643  1.00  0.00           C
ATOM    838  C   ALA A  58       2.851  49.618 112.249  1.00  0.00           C
ATOM    839  O   ALA A  58       2.190  50.501 111.727  1.00  0.00           O
ATOM    840  CB  ALA A  58       5.127  48.710 112.727  1.00  0.00           C
ATOM    841  OXT ALA A  58       2.488  48.979 113.224  1.00  0.00           O
ATOM      0  H   ALA A  58       5.671  50.849 111.577  1.00  0.00           H   new
ATOM      0  HA  ALA A  58       4.096  48.560 110.842  1.00  0.00           H   new
ATOM      0  HB1 ALA A  58       4.680  47.801 113.129  1.00  0.00           H   new
ATOM      0  HB2 ALA A  58       6.102  48.477 112.298  1.00  0.00           H   new
ATOM      0  HB3 ALA A  58       5.248  49.439 113.528  1.00  0.00           H   new