USER  MOD reduce.3.24.130724 H: found=0, std=0, add=281, rem=0, adj=14
USER  MOD reduce.3.24.130724 removed 282 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  17 THR OG1 :   rot -125:sc=     1.3
USER  MOD Set 1.2: A  19 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A   2 THR OG1 :   rot   48:sc=   0.173
USER  MOD Single : A   3 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A   5 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A   8 LYS NZ  :NH3+    170:sc=-0.00495   (180deg=-0.117)
USER  MOD Single : A   9 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  13 TYR OH  :   rot   11:sc= 0.00614
USER  MOD Single : A  18 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  22 SER OG  :   rot  -55:sc= 0.00545
USER  MOD Single : A  23 ASN     :      amide:sc=   0.173  K(o=0.17,f=-5.2!)
USER  MOD Single : A  26 TYR OH  :   rot   70:sc=  -0.198
USER  MOD Single : A  27 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  29 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  32 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  39 TYR OH  :   rot  180:sc=       0
USER  MOD -----------------------------------------------------------------
ATOM     10  N   THR A   2       0.276  -0.576   7.642  1.00  1.13           N
ATOM     11  CA  THR A   2      -0.395  -0.953   6.409  1.00  0.62           C
ATOM     12  C   THR A   2       0.623  -1.293   5.326  1.00  0.47           C
ATOM     13  O   THR A   2       1.104  -0.419   4.601  1.00  0.51           O
ATOM     14  CB  THR A   2      -1.335   0.167   5.924  1.00  0.67           C
ATOM     15  OG1 THR A   2      -0.657   1.433   5.947  1.00  1.13           O
ATOM     16  CG2 THR A   2      -2.583   0.237   6.790  1.00  1.00           C
ATOM      0  HA  THR A   2      -0.997  -1.838   6.614  1.00  0.62           H   new
ATOM      0  HB  THR A   2      -1.632  -0.061   4.900  1.00  0.67           H   new
ATOM      0  HG1 THR A   2       0.222   1.341   5.523  1.00  1.13           H   new
ATOM      0 HG21 THR A   2      -3.232   1.035   6.429  1.00  1.00           H   new
ATOM      0 HG22 THR A   2      -3.114  -0.713   6.740  1.00  1.00           H   new
ATOM      0 HG23 THR A   2      -2.299   0.440   7.822  1.00  1.00           H   new
ATOM     24  N   THR A   3       0.945  -2.569   5.226  1.00  0.58           N
ATOM     25  CA  THR A   3       1.983  -3.038   4.325  1.00  0.55           C
ATOM     26  C   THR A   3       1.582  -4.363   3.674  1.00  0.43           C
ATOM     27  O   THR A   3       1.001  -5.232   4.325  1.00  0.53           O
ATOM     28  CB  THR A   3       3.309  -3.220   5.094  1.00  0.70           C
ATOM     29  OG1 THR A   3       3.689  -1.976   5.704  1.00  1.12           O
ATOM     30  CG2 THR A   3       4.427  -3.700   4.181  1.00  0.98           C
ATOM      0  H   THR A   3       0.496  -3.309   5.766  1.00  0.58           H   new
ATOM      0  HA  THR A   3       2.116  -2.291   3.542  1.00  0.55           H   new
ATOM      0  HB  THR A   3       3.149  -3.979   5.860  1.00  0.70           H   new
ATOM      0  HG1 THR A   3       4.530  -2.095   6.193  1.00  1.12           H   new
ATOM      0 HG21 THR A   3       5.344  -3.816   4.759  1.00  0.98           H   new
ATOM      0 HG22 THR A   3       4.151  -4.658   3.741  1.00  0.98           H   new
ATOM      0 HG23 THR A   3       4.588  -2.970   3.388  1.00  0.98           H   new
ATOM     38  N   CYS A   4       1.874  -4.498   2.392  1.00  0.39           N
ATOM     39  CA  CYS A   4       1.630  -5.738   1.677  1.00  0.45           C
ATOM     40  C   CYS A   4       2.933  -6.240   1.071  1.00  0.38           C
ATOM     41  O   CYS A   4       3.954  -5.548   1.111  1.00  0.51           O
ATOM     42  CB  CYS A   4       0.585  -5.529   0.576  1.00  0.73           C
ATOM     43  SG  CYS A   4       1.126  -4.425  -0.770  1.00  1.01           S
ATOM      0  H   CYS A   4       2.283  -3.758   1.822  1.00  0.39           H   new
ATOM      0  HA  CYS A   4       1.246  -6.479   2.378  1.00  0.45           H   new
ATOM      0  HB2 CYS A   4       0.322  -6.498   0.152  1.00  0.73           H   new
ATOM      0  HB3 CYS A   4      -0.321  -5.120   1.024  1.00  0.73           H   new
ATOM     48  N   TYR A   5       2.904  -7.442   0.527  1.00  0.47           N
ATOM     49  CA  TYR A   5       4.060  -7.997  -0.148  1.00  0.50           C
ATOM     50  C   TYR A   5       3.646  -8.550  -1.497  1.00  0.61           C
ATOM     51  O   TYR A   5       3.203  -9.693  -1.605  1.00  0.85           O
ATOM     52  CB  TYR A   5       4.719  -9.092   0.693  1.00  0.58           C
ATOM     53  CG  TYR A   5       5.294  -8.597   2.002  1.00  0.56           C
ATOM     54  CD1 TYR A   5       6.524  -7.956   2.043  1.00  0.59           C
ATOM     55  CD2 TYR A   5       4.605  -8.771   3.197  1.00  0.63           C
ATOM     56  CE1 TYR A   5       7.051  -7.499   3.233  1.00  0.66           C
ATOM     57  CE2 TYR A   5       5.127  -8.318   4.395  1.00  0.69           C
ATOM     58  CZ  TYR A   5       6.349  -7.691   4.412  1.00  0.70           C
ATOM     59  OH  TYR A   5       6.880  -7.218   5.593  1.00  0.81           O
ATOM      0  H   TYR A   5       2.088  -8.054   0.540  1.00  0.47           H   new
ATOM      0  HA  TYR A   5       4.791  -7.201  -0.291  1.00  0.50           H   new
ATOM      0  HB2 TYR A   5       3.983  -9.869   0.901  1.00  0.58           H   new
ATOM      0  HB3 TYR A   5       5.515  -9.555   0.110  1.00  0.58           H   new
ATOM      0  HD1 TYR A   5       7.078  -7.812   1.127  1.00  0.59           H   new
ATOM      0  HD2 TYR A   5       3.646  -9.268   3.190  1.00  0.63           H   new
ATOM      0  HE1 TYR A   5       8.006  -6.994   3.246  1.00  0.66           H   new
ATOM      0  HE2 TYR A   5       4.576  -8.457   5.313  1.00  0.69           H   new
ATOM      0  HH  TYR A   5       6.272  -7.428   6.332  1.00  0.81           H   new
ATOM     69  N   CYS A   6       3.767  -7.726  -2.522  1.00  0.51           N
ATOM     70  CA  CYS A   6       3.434  -8.147  -3.869  1.00  0.62           C
ATOM     71  C   CYS A   6       4.563  -9.023  -4.397  1.00  0.70           C
ATOM     72  O   CYS A   6       5.622  -8.527  -4.789  1.00  0.69           O
ATOM     73  CB  CYS A   6       3.197  -6.929  -4.766  1.00  0.61           C
ATOM     74  SG  CYS A   6       1.874  -5.823  -4.158  1.00  1.20           S
ATOM      0  H   CYS A   6       4.093  -6.762  -2.447  1.00  0.51           H   new
ATOM      0  HA  CYS A   6       2.510  -8.725  -3.865  1.00  0.62           H   new
ATOM      0  HB2 CYS A   6       4.124  -6.362  -4.848  1.00  0.61           H   new
ATOM      0  HB3 CYS A   6       2.942  -7.270  -5.769  1.00  0.61           H   new
ATOM     79  N   GLY A   7       4.338 -10.330  -4.373  1.00  0.85           N
ATOM     80  CA  GLY A   7       5.413 -11.268  -4.609  1.00  0.97           C
ATOM     81  C   GLY A   7       6.343 -11.293  -3.415  1.00  0.93           C
ATOM     82  O   GLY A   7       6.007 -11.854  -2.372  1.00  1.01           O
ATOM      0  H   GLY A   7       3.429 -10.756  -4.194  1.00  0.85           H   new
ATOM      0  HA2 GLY A   7       5.007 -12.264  -4.786  1.00  0.97           H   new
ATOM      0  HA3 GLY A   7       5.965 -10.985  -5.505  1.00  0.97           H   new
ATOM     86  N   LYS A   8       7.501 -10.668  -3.556  1.00  0.91           N
ATOM     87  CA  LYS A   8       8.396 -10.462  -2.436  1.00  0.94           C
ATOM     88  C   LYS A   8       8.676  -8.977  -2.253  1.00  0.79           C
ATOM     89  O   LYS A   8       9.498  -8.588  -1.423  1.00  0.86           O
ATOM     90  CB  LYS A   8       9.703 -11.227  -2.634  1.00  1.16           C
ATOM     91  CG  LYS A   8       9.538 -12.733  -2.557  1.00  1.65           C
ATOM     92  CD  LYS A   8       8.998 -13.161  -1.199  1.00  2.18           C
ATOM     93  CE  LYS A   8       8.919 -14.673  -1.079  1.00  3.07           C
ATOM     94  NZ  LYS A   8      10.267 -15.295  -1.029  1.00  3.65           N
ATOM      0  H   LYS A   8       7.842 -10.294  -4.442  1.00  0.91           H   new
ATOM      0  HA  LYS A   8       7.912 -10.844  -1.537  1.00  0.94           H   new
ATOM      0  HB2 LYS A   8      10.125 -10.964  -3.604  1.00  1.16           H   new
ATOM      0  HB3 LYS A   8      10.420 -10.908  -1.877  1.00  1.16           H   new
ATOM      0  HG2 LYS A   8       8.860 -13.067  -3.342  1.00  1.65           H   new
ATOM      0  HG3 LYS A   8      10.498 -13.216  -2.738  1.00  1.65           H   new
ATOM      0  HD2 LYS A   8       9.639 -12.766  -0.411  1.00  2.18           H   new
ATOM      0  HD3 LYS A   8       8.008 -12.731  -1.049  1.00  2.18           H   new
ATOM      0  HE2 LYS A   8       8.363 -14.937  -0.179  1.00  3.07           H   new
ATOM      0  HE3 LYS A   8       8.364 -15.076  -1.926  1.00  3.07           H   new
ATOM      0  HZ1 LYS A   8      10.176 -16.300  -0.778  1.00  3.65           H   new
ATOM      0  HZ2 LYS A   8      10.723 -15.210  -1.960  1.00  3.65           H   new
ATOM      0  HZ3 LYS A   8      10.846 -14.811  -0.314  1.00  3.65           H   new
ATOM    108  N   THR A   9       7.979  -8.152  -3.022  1.00  0.66           N
ATOM    109  CA  THR A   9       8.184  -6.716  -2.974  1.00  0.55           C
ATOM    110  C   THR A   9       7.279  -6.074  -1.930  1.00  0.42           C
ATOM    111  O   THR A   9       6.050  -6.190  -1.996  1.00  0.42           O
ATOM    112  CB  THR A   9       7.920  -6.068  -4.346  1.00  0.55           C
ATOM    113  OG1 THR A   9       8.646  -6.769  -5.363  1.00  0.72           O
ATOM    114  CG2 THR A   9       8.338  -4.607  -4.346  1.00  0.50           C
ATOM      0  H   THR A   9       7.267  -8.455  -3.686  1.00  0.66           H   new
ATOM      0  HA  THR A   9       9.225  -6.547  -2.700  1.00  0.55           H   new
ATOM      0  HB  THR A   9       6.851  -6.126  -4.549  1.00  0.55           H   new
ATOM      0  HG1 THR A   9       8.473  -6.354  -6.234  1.00  0.72           H   new
ATOM      0 HG21 THR A   9       8.141  -4.172  -5.326  1.00  0.50           H   new
ATOM      0 HG22 THR A   9       7.770  -4.066  -3.589  1.00  0.50           H   new
ATOM      0 HG23 THR A   9       9.402  -4.533  -4.123  1.00  0.50           H   new
ATOM    122  N   ILE A  10       7.898  -5.403  -0.966  1.00  0.39           N
ATOM    123  CA  ILE A  10       7.166  -4.732   0.095  1.00  0.32           C
ATOM    124  C   ILE A  10       6.454  -3.492  -0.440  1.00  0.24           C
ATOM    125  O   ILE A  10       7.080  -2.587  -1.007  1.00  0.31           O
ATOM    126  CB  ILE A  10       8.096  -4.353   1.280  1.00  0.46           C
ATOM    127  CG1 ILE A  10       7.328  -3.560   2.341  1.00  0.64           C
ATOM    128  CG2 ILE A  10       9.309  -3.571   0.802  1.00  0.56           C
ATOM    129  CD1 ILE A  10       8.164  -3.188   3.549  1.00  1.06           C
ATOM      0  H   ILE A  10       8.912  -5.310  -0.900  1.00  0.39           H   new
ATOM      0  HA  ILE A  10       6.418  -5.431   0.469  1.00  0.32           H   new
ATOM      0  HB  ILE A  10       8.451  -5.279   1.732  1.00  0.46           H   new
ATOM      0 HG12 ILE A  10       6.936  -2.650   1.888  1.00  0.64           H   new
ATOM      0 HG13 ILE A  10       6.471  -4.147   2.671  1.00  0.64           H   new
ATOM      0 HG21 ILE A  10       9.940  -3.321   1.655  1.00  0.56           H   new
ATOM      0 HG22 ILE A  10       9.877  -4.176   0.096  1.00  0.56           H   new
ATOM      0 HG23 ILE A  10       8.981  -2.654   0.312  1.00  0.56           H   new
ATOM      0 HD11 ILE A  10       7.552  -2.628   4.256  1.00  1.06           H   new
ATOM      0 HD12 ILE A  10       8.535  -4.094   4.028  1.00  1.06           H   new
ATOM      0 HD13 ILE A  10       9.007  -2.574   3.233  1.00  1.06           H   new
ATOM    141  N   GLY A  11       5.142  -3.476  -0.282  1.00  0.22           N
ATOM    142  CA  GLY A  11       4.346  -2.357  -0.729  1.00  0.32           C
ATOM    143  C   GLY A  11       3.601  -1.714   0.419  1.00  0.28           C
ATOM    144  O   GLY A  11       3.326  -2.366   1.425  1.00  0.36           O
ATOM      0  H   GLY A  11       4.609  -4.229   0.154  1.00  0.22           H   new
ATOM      0  HA2 GLY A  11       4.990  -1.618  -1.206  1.00  0.32           H   new
ATOM      0  HA3 GLY A  11       3.634  -2.693  -1.483  1.00  0.32           H   new
ATOM    148  N   ILE A  12       3.279  -0.442   0.283  1.00  0.25           N
ATOM    149  CA  ILE A  12       2.591   0.280   1.339  1.00  0.25           C
ATOM    150  C   ILE A  12       1.138   0.529   0.931  1.00  0.22           C
ATOM    151  O   ILE A  12       0.853   0.950  -0.192  1.00  0.22           O
ATOM    152  CB  ILE A  12       3.343   1.598   1.689  1.00  0.30           C
ATOM    153  CG1 ILE A  12       2.743   2.296   2.927  1.00  0.33           C
ATOM    154  CG2 ILE A  12       3.372   2.539   0.493  1.00  0.30           C
ATOM    155  CD1 ILE A  12       1.527   3.154   2.645  1.00  0.29           C
ATOM      0  H   ILE A  12       3.482   0.114  -0.548  1.00  0.25           H   new
ATOM      0  HA  ILE A  12       2.583  -0.324   2.246  1.00  0.25           H   new
ATOM      0  HB  ILE A  12       4.369   1.328   1.939  1.00  0.30           H   new
ATOM      0 HG12 ILE A  12       2.472   1.536   3.660  1.00  0.33           H   new
ATOM      0 HG13 ILE A  12       3.512   2.919   3.384  1.00  0.33           H   new
ATOM      0 HG21 ILE A  12       3.902   3.453   0.762  1.00  0.30           H   new
ATOM      0 HG22 ILE A  12       3.883   2.054  -0.339  1.00  0.30           H   new
ATOM      0 HG23 ILE A  12       2.352   2.785   0.199  1.00  0.30           H   new
ATOM      0 HD11 ILE A  12       1.176   3.603   3.574  1.00  0.29           H   new
ATOM      0 HD12 ILE A  12       1.793   3.941   1.939  1.00  0.29           H   new
ATOM      0 HD13 ILE A  12       0.737   2.536   2.219  1.00  0.29           H   new
ATOM    167  N   TYR A  13       0.225   0.230   1.840  1.00  0.24           N
ATOM    168  CA  TYR A  13      -1.200   0.287   1.549  1.00  0.23           C
ATOM    169  C   TYR A  13      -1.757   1.698   1.738  1.00  0.21           C
ATOM    170  O   TYR A  13      -1.822   2.211   2.858  1.00  0.26           O
ATOM    171  CB  TYR A  13      -1.942  -0.713   2.441  1.00  0.28           C
ATOM    172  CG  TYR A  13      -3.450  -0.632   2.362  1.00  0.32           C
ATOM    173  CD1 TYR A  13      -4.112  -0.612   1.141  1.00  0.53           C
ATOM    174  CD2 TYR A  13      -4.211  -0.573   3.521  1.00  0.49           C
ATOM    175  CE1 TYR A  13      -5.491  -0.533   1.081  1.00  0.65           C
ATOM    176  CE2 TYR A  13      -5.588  -0.497   3.468  1.00  0.61           C
ATOM    177  CZ  TYR A  13      -6.223  -0.477   2.246  1.00  0.64           C
ATOM    178  OH  TYR A  13      -7.595  -0.406   2.189  1.00  0.80           O
ATOM      0  H   TYR A  13       0.447  -0.057   2.793  1.00  0.24           H   new
ATOM      0  HA  TYR A  13      -1.350   0.020   0.503  1.00  0.23           H   new
ATOM      0  HB2 TYR A  13      -1.631  -1.722   2.169  1.00  0.28           H   new
ATOM      0  HB3 TYR A  13      -1.637  -0.553   3.475  1.00  0.28           H   new
ATOM      0  HD1 TYR A  13      -3.541  -0.659   0.225  1.00  0.53           H   new
ATOM      0  HD2 TYR A  13      -3.717  -0.587   4.481  1.00  0.49           H   new
ATOM      0  HE1 TYR A  13      -5.992  -0.515   0.124  1.00  0.65           H   new
ATOM      0  HE2 TYR A  13      -6.165  -0.453   4.380  1.00  0.61           H   new
ATOM      0  HH  TYR A  13      -7.894  -0.580   1.272  1.00  0.80           H   new
ATOM    188  N   TRP A  14      -2.149   2.313   0.631  1.00  0.20           N
ATOM    189  CA  TRP A  14      -2.778   3.622   0.653  1.00  0.20           C
ATOM    190  C   TRP A  14      -4.292   3.475   0.623  1.00  0.21           C
ATOM    191  O   TRP A  14      -4.835   2.732  -0.195  1.00  0.27           O
ATOM    192  CB  TRP A  14      -2.335   4.457  -0.550  1.00  0.23           C
ATOM    193  CG  TRP A  14      -0.869   4.755  -0.588  1.00  0.23           C
ATOM    194  CD1 TRP A  14       0.103   4.007  -1.184  1.00  0.28           C
ATOM    195  CD2 TRP A  14      -0.210   5.897  -0.026  1.00  0.28           C
ATOM    196  NE1 TRP A  14       1.328   4.607  -1.018  1.00  0.31           N
ATOM    197  CE2 TRP A  14       1.161   5.767  -0.311  1.00  0.31           C
ATOM    198  CE3 TRP A  14      -0.645   7.012   0.695  1.00  0.35           C
ATOM    199  CZ2 TRP A  14       2.098   6.712   0.097  1.00  0.40           C
ATOM    200  CZ3 TRP A  14       0.286   7.949   1.100  1.00  0.45           C
ATOM    201  CH2 TRP A  14       1.646   7.793   0.798  1.00  0.47           C
ATOM      0  H   TRP A  14      -2.040   1.919  -0.303  1.00  0.20           H   new
ATOM      0  HA  TRP A  14      -2.474   4.127   1.570  1.00  0.20           H   new
ATOM      0  HB2 TRP A  14      -2.610   3.930  -1.464  1.00  0.23           H   new
ATOM      0  HB3 TRP A  14      -2.885   5.398  -0.546  1.00  0.23           H   new
ATOM      0  HD1 TRP A  14      -0.065   3.079  -1.710  1.00  0.28           H   new
ATOM      0  HE1 TRP A  14       2.217   4.247  -1.365  1.00  0.31           H   new
ATOM      0  HE3 TRP A  14      -1.691   7.139   0.932  1.00  0.35           H   new
ATOM      0  HZ2 TRP A  14       3.147   6.594  -0.133  1.00  0.40           H   new
ATOM      0  HZ3 TRP A  14      -0.039   8.815   1.658  1.00  0.45           H   new
ATOM      0  HH2 TRP A  14       2.350   8.543   1.126  1.00  0.47           H   new
ATOM    212  N   PHE A  15      -4.968   4.176   1.515  1.00  0.32           N
ATOM    213  CA  PHE A  15      -6.420   4.171   1.541  1.00  0.38           C
ATOM    214  C   PHE A  15      -6.944   5.546   1.148  1.00  0.41           C
ATOM    215  O   PHE A  15      -6.390   6.568   1.553  1.00  0.57           O
ATOM    216  CB  PHE A  15      -6.923   3.774   2.931  1.00  0.46           C
ATOM    217  CG  PHE A  15      -8.423   3.684   3.038  1.00  0.55           C
ATOM    218  CD1 PHE A  15      -9.123   2.701   2.357  1.00  0.65           C
ATOM    219  CD2 PHE A  15      -9.129   4.582   3.823  1.00  0.62           C
ATOM    220  CE1 PHE A  15     -10.499   2.615   2.458  1.00  0.75           C
ATOM    221  CE2 PHE A  15     -10.505   4.502   3.926  1.00  0.70           C
ATOM    222  CZ  PHE A  15     -11.191   3.517   3.244  1.00  0.75           C
ATOM      0  H   PHE A  15      -4.534   4.757   2.232  1.00  0.32           H   new
ATOM      0  HA  PHE A  15      -6.791   3.438   0.825  1.00  0.38           H   new
ATOM      0  HB2 PHE A  15      -6.491   2.810   3.200  1.00  0.46           H   new
ATOM      0  HB3 PHE A  15      -6.560   4.500   3.658  1.00  0.46           H   new
ATOM      0  HD1 PHE A  15      -8.588   1.994   1.740  1.00  0.65           H   new
ATOM      0  HD2 PHE A  15      -8.598   5.353   4.361  1.00  0.62           H   new
ATOM      0  HE1 PHE A  15     -11.033   1.844   1.923  1.00  0.75           H   new
ATOM      0  HE2 PHE A  15     -11.043   5.209   4.539  1.00  0.70           H   new
ATOM      0  HZ  PHE A  15     -12.266   3.451   3.324  1.00  0.75           H   new
ATOM    232  N   GLY A  16      -7.989   5.566   0.334  1.00  0.50           N
ATOM    233  CA  GLY A  16      -8.548   6.824  -0.121  1.00  0.60           C
ATOM    234  C   GLY A  16      -8.146   7.138  -1.547  1.00  0.65           C
ATOM    235  O   GLY A  16      -8.991   7.449  -2.385  1.00  1.07           O
ATOM      0  H   GLY A  16      -8.461   4.734  -0.020  1.00  0.50           H   new
ATOM      0  HA2 GLY A  16      -9.635   6.785  -0.051  1.00  0.60           H   new
ATOM      0  HA3 GLY A  16      -8.215   7.628   0.535  1.00  0.60           H   new
ATOM    239  N   THR A  17      -6.852   7.054  -1.822  1.00  0.46           N
ATOM    240  CA  THR A  17      -6.355   7.269  -3.171  1.00  0.47           C
ATOM    241  C   THR A  17      -6.388   5.969  -3.963  1.00  0.50           C
ATOM    242  O   THR A  17      -6.272   4.880  -3.398  1.00  0.57           O
ATOM    243  CB  THR A  17      -4.919   7.851  -3.184  1.00  0.48           C
ATOM    244  OG1 THR A  17      -4.454   7.991  -4.533  1.00  0.56           O
ATOM    245  CG2 THR A  17      -3.951   6.971  -2.408  1.00  0.47           C
ATOM      0  H   THR A  17      -6.132   6.840  -1.132  1.00  0.46           H   new
ATOM      0  HA  THR A  17      -7.014   8.001  -3.638  1.00  0.47           H   new
ATOM      0  HB  THR A  17      -4.958   8.828  -2.702  1.00  0.48           H   new
ATOM      0  HG1 THR A  17      -3.606   7.511  -4.638  1.00  0.56           H   new
ATOM      0 HG21 THR A  17      -2.954   7.411  -2.439  1.00  0.47           H   new
ATOM      0 HG22 THR A  17      -4.281   6.893  -1.372  1.00  0.47           H   new
ATOM      0 HG23 THR A  17      -3.923   5.978  -2.856  1.00  0.47           H   new
ATOM    253  N   LYS A  18      -6.572   6.092  -5.266  1.00  0.58           N
ATOM    254  CA  LYS A  18      -6.571   4.946  -6.157  1.00  0.69           C
ATOM    255  C   LYS A  18      -5.380   5.036  -7.096  1.00  0.64           C
ATOM    256  O   LYS A  18      -5.259   4.265  -8.051  1.00  0.71           O
ATOM    257  CB  LYS A  18      -7.870   4.893  -6.956  1.00  0.91           C
ATOM    258  CG  LYS A  18      -9.105   4.747  -6.085  1.00  1.70           C
ATOM    259  CD  LYS A  18     -10.380   4.799  -6.906  1.00  2.32           C
ATOM    260  CE  LYS A  18     -11.605   4.597  -6.033  1.00  3.29           C
ATOM    261  NZ  LYS A  18     -12.868   4.734  -6.802  1.00  3.98           N
ATOM      0  H   LYS A  18      -6.726   6.985  -5.734  1.00  0.58           H   new
ATOM      0  HA  LYS A  18      -6.495   4.034  -5.565  1.00  0.69           H   new
ATOM      0  HB2 LYS A  18      -7.959   5.801  -7.552  1.00  0.91           H   new
ATOM      0  HB3 LYS A  18      -7.825   4.057  -7.654  1.00  0.91           H   new
ATOM      0  HG2 LYS A  18      -9.059   3.802  -5.544  1.00  1.70           H   new
ATOM      0  HG3 LYS A  18      -9.120   5.541  -5.339  1.00  1.70           H   new
ATOM      0  HD2 LYS A  18     -10.448   5.760  -7.416  1.00  2.32           H   new
ATOM      0  HD3 LYS A  18     -10.350   4.030  -7.678  1.00  2.32           H   new
ATOM      0  HE2 LYS A  18     -11.565   3.608  -5.576  1.00  3.29           H   new
ATOM      0  HE3 LYS A  18     -11.595   5.324  -5.221  1.00  3.29           H   new
ATOM      0  HZ1 LYS A  18     -13.679   4.588  -6.167  1.00  3.98           H   new
ATOM      0  HZ2 LYS A  18     -12.920   5.686  -7.217  1.00  3.98           H   new
ATOM      0  HZ3 LYS A  18     -12.891   4.024  -7.561  1.00  3.98           H   new
ATOM    275  N   THR A  19      -4.508   5.991  -6.814  1.00  0.62           N
ATOM    276  CA  THR A  19      -3.327   6.217  -7.621  1.00  0.69           C
ATOM    277  C   THR A  19      -2.094   6.298  -6.735  1.00  0.60           C
ATOM    278  O   THR A  19      -2.156   6.846  -5.634  1.00  0.89           O
ATOM    279  CB  THR A  19      -3.460   7.518  -8.438  1.00  0.84           C
ATOM    280  OG1 THR A  19      -3.950   8.573  -7.599  1.00  1.60           O
ATOM    281  CG2 THR A  19      -4.404   7.330  -9.617  1.00  1.50           C
ATOM      0  H   THR A  19      -4.601   6.627  -6.022  1.00  0.62           H   new
ATOM      0  HA  THR A  19      -3.224   5.379  -8.311  1.00  0.69           H   new
ATOM      0  HB  THR A  19      -2.474   7.779  -8.821  1.00  0.84           H   new
ATOM      0  HG1 THR A  19      -4.031   9.397  -8.123  1.00  1.60           H   new
ATOM      0 HG21 THR A  19      -4.479   8.263 -10.175  1.00  1.50           H   new
ATOM      0 HG22 THR A  19      -4.019   6.546 -10.270  1.00  1.50           H   new
ATOM      0 HG23 THR A  19      -5.391   7.046  -9.251  1.00  1.50           H   new
ATOM    289  N   CYS A  20      -0.990   5.730  -7.201  1.00  0.60           N
ATOM    290  CA  CYS A  20       0.263   5.785  -6.462  1.00  0.62           C
ATOM    291  C   CYS A  20       0.845   7.191  -6.523  1.00  0.52           C
ATOM    292  O   CYS A  20       1.214   7.671  -7.600  1.00  0.65           O
ATOM    293  CB  CYS A  20       1.267   4.776  -7.022  1.00  0.87           C
ATOM    294  SG  CYS A  20       0.739   3.043  -6.846  1.00  0.91           S
ATOM      0  H   CYS A  20      -0.937   5.226  -8.086  1.00  0.60           H   new
ATOM      0  HA  CYS A  20       0.061   5.528  -5.422  1.00  0.62           H   new
ATOM      0  HB2 CYS A  20       1.434   4.990  -8.078  1.00  0.87           H   new
ATOM      0  HB3 CYS A  20       2.223   4.909  -6.515  1.00  0.87           H   new
ATOM    299  N   PRO A  21       0.924   7.871  -5.369  1.00  0.45           N
ATOM    300  CA  PRO A  21       1.402   9.249  -5.301  1.00  0.56           C
ATOM    301  C   PRO A  21       2.860   9.382  -5.737  1.00  0.71           C
ATOM    302  O   PRO A  21       3.718   8.575  -5.364  1.00  0.82           O
ATOM    303  CB  PRO A  21       1.235   9.635  -3.825  1.00  0.62           C
ATOM    304  CG  PRO A  21       1.118   8.347  -3.084  1.00  0.51           C
ATOM    305  CD  PRO A  21       0.548   7.345  -4.046  1.00  0.49           C
ATOM      0  HA  PRO A  21       0.846   9.899  -5.977  1.00  0.56           H   new
ATOM      0  HB2 PRO A  21       2.089  10.214  -3.472  1.00  0.62           H   new
ATOM      0  HB3 PRO A  21       0.349  10.253  -3.679  1.00  0.62           H   new
ATOM      0  HG2 PRO A  21       2.092   8.021  -2.718  1.00  0.51           H   new
ATOM      0  HG3 PRO A  21       0.471   8.459  -2.214  1.00  0.51           H   new
ATOM      0  HD2 PRO A  21       0.962   6.351  -3.879  1.00  0.49           H   new
ATOM      0  HD3 PRO A  21      -0.534   7.262  -3.942  1.00  0.49           H   new
ATOM    313  N   SER A  22       3.126  10.402  -6.540  1.00  0.99           N
ATOM    314  CA  SER A  22       4.466  10.671  -7.036  1.00  1.26           C
ATOM    315  C   SER A  22       5.296  11.378  -5.961  1.00  1.32           C
ATOM    316  O   SER A  22       5.818  12.472  -6.174  1.00  1.83           O
ATOM    317  CB  SER A  22       4.373  11.526  -8.306  1.00  1.68           C
ATOM    318  OG  SER A  22       5.607  11.573  -9.009  1.00  2.07           O
ATOM      0  H   SER A  22       2.421  11.064  -6.865  1.00  0.99           H   new
ATOM      0  HA  SER A  22       4.962   9.731  -7.278  1.00  1.26           H   new
ATOM      0  HB2 SER A  22       3.599  11.122  -8.959  1.00  1.68           H   new
ATOM      0  HB3 SER A  22       4.069  12.538  -8.040  1.00  1.68           H   new
ATOM      0  HG  SER A  22       6.314  11.887  -8.408  1.00  2.07           H   new
ATOM    324  N   ASN A  23       5.389  10.747  -4.798  1.00  1.04           N
ATOM    325  CA  ASN A  23       6.132  11.306  -3.675  1.00  1.20           C
ATOM    326  C   ASN A  23       7.279  10.386  -3.261  1.00  1.07           C
ATOM    327  O   ASN A  23       8.178  10.796  -2.526  1.00  1.27           O
ATOM    328  CB  ASN A  23       5.190  11.559  -2.488  1.00  1.39           C
ATOM    329  CG  ASN A  23       4.590  10.287  -1.913  1.00  1.32           C
ATOM    330  OD1 ASN A  23       4.453   9.277  -2.604  1.00  1.83           O
ATOM    331  ND2 ASN A  23       4.221  10.330  -0.644  1.00  1.61           N
ATOM      0  H   ASN A  23       4.957   9.843  -4.607  1.00  1.04           H   new
ATOM      0  HA  ASN A  23       6.562  12.256  -3.991  1.00  1.20           H   new
ATOM      0  HB2 ASN A  23       5.738  12.081  -1.703  1.00  1.39           H   new
ATOM      0  HB3 ASN A  23       4.384  12.220  -2.807  1.00  1.39           H   new
ATOM      0 HD21 ASN A  23       3.807   9.508  -0.205  1.00  1.61           H   new
ATOM      0 HD22 ASN A  23       4.351  11.185  -0.104  1.00  1.61           H   new
ATOM    338  N   ARG A  24       7.222   9.135  -3.707  1.00  0.95           N
ATOM    339  CA  ARG A  24       8.309   8.183  -3.473  1.00  1.02           C
ATOM    340  C   ARG A  24       8.803   7.587  -4.783  1.00  1.13           C
ATOM    341  O   ARG A  24       9.956   7.179  -4.896  1.00  1.71           O
ATOM    342  CB  ARG A  24       7.875   7.040  -2.549  1.00  1.06           C
ATOM    343  CG  ARG A  24       8.030   7.327  -1.064  1.00  1.42           C
ATOM    344  CD  ARG A  24       7.030   8.355  -0.577  1.00  1.41           C
ATOM    345  NE  ARG A  24       7.183   8.652   0.847  1.00  2.03           N
ATOM    346  CZ  ARG A  24       7.233   9.887   1.340  1.00  2.71           C
ATOM    347  NH1 ARG A  24       7.265  10.925   0.520  1.00  3.19           N
ATOM    348  NH2 ARG A  24       7.296  10.077   2.648  1.00  3.39           N
ATOM      0  H   ARG A  24       6.435   8.754  -4.233  1.00  0.95           H   new
ATOM      0  HA  ARG A  24       9.113   8.742  -2.994  1.00  1.02           H   new
ATOM      0  HB2 ARG A  24       6.830   6.804  -2.752  1.00  1.06           H   new
ATOM      0  HB3 ARG A  24       8.456   6.151  -2.796  1.00  1.06           H   new
ATOM      0  HG2 ARG A  24       7.903   6.402  -0.501  1.00  1.42           H   new
ATOM      0  HG3 ARG A  24       9.041   7.683  -0.867  1.00  1.42           H   new
ATOM      0  HD2 ARG A  24       7.149   9.274  -1.152  1.00  1.41           H   new
ATOM      0  HD3 ARG A  24       6.019   7.991  -0.763  1.00  1.41           H   new
ATOM      0  HE  ARG A  24       7.255   7.870   1.498  1.00  2.03           H   new
ATOM      0 HH11 ARG A  24       7.251  10.778  -0.489  1.00  3.19           H   new
ATOM      0 HH12 ARG A  24       7.303  11.872   0.897  1.00  3.19           H   new
ATOM      0 HH21 ARG A  24       7.306   9.276   3.280  1.00  3.39           H   new
ATOM      0 HH22 ARG A  24       7.334  11.024   3.024  1.00  3.39           H   new
ATOM    362  N   GLY A  25       7.921   7.542  -5.772  1.00  0.93           N
ATOM    363  CA  GLY A  25       8.272   6.939  -7.040  1.00  1.10           C
ATOM    364  C   GLY A  25       7.832   5.491  -7.127  1.00  0.81           C
ATOM    365  O   GLY A  25       8.486   4.677  -7.783  1.00  0.78           O
ATOM      0  H   GLY A  25       6.972   7.911  -5.718  1.00  0.93           H   new
ATOM      0  HA2 GLY A  25       7.812   7.506  -7.850  1.00  1.10           H   new
ATOM      0  HA3 GLY A  25       9.351   6.998  -7.182  1.00  1.10           H   new
ATOM    369  N   TYR A  26       6.726   5.172  -6.453  1.00  0.71           N
ATOM    370  CA  TYR A  26       6.152   3.828  -6.497  1.00  0.50           C
ATOM    371  C   TYR A  26       5.980   3.370  -7.938  1.00  0.49           C
ATOM    372  O   TYR A  26       5.346   4.052  -8.746  1.00  0.71           O
ATOM    373  CB  TYR A  26       4.807   3.791  -5.772  1.00  0.51           C
ATOM    374  CG  TYR A  26       4.897   4.187  -4.320  1.00  0.93           C
ATOM    375  CD1 TYR A  26       5.468   3.335  -3.384  1.00  1.52           C
ATOM    376  CD2 TYR A  26       4.401   5.406  -3.884  1.00  1.20           C
ATOM    377  CE1 TYR A  26       5.538   3.687  -2.052  1.00  2.35           C
ATOM    378  CE2 TYR A  26       4.470   5.768  -2.555  1.00  2.02           C
ATOM    379  CZ  TYR A  26       5.092   4.929  -1.654  1.00  2.61           C
ATOM    380  OH  TYR A  26       5.103   5.262  -0.319  1.00  3.45           O
ATOM      0  H   TYR A  26       6.209   5.829  -5.869  1.00  0.71           H   new
ATOM      0  HA  TYR A  26       6.838   3.149  -5.991  1.00  0.50           H   new
ATOM      0  HB2 TYR A  26       4.111   4.458  -6.280  1.00  0.51           H   new
ATOM      0  HB3 TYR A  26       4.393   2.785  -5.841  1.00  0.51           H   new
ATOM      0  HD1 TYR A  26       5.863   2.382  -3.704  1.00  1.52           H   new
ATOM      0  HD2 TYR A  26       3.953   6.083  -4.597  1.00  1.20           H   new
ATOM      0  HE1 TYR A  26       5.939   2.995  -1.327  1.00  2.35           H   new
ATOM      0  HE2 TYR A  26       4.040   6.701  -2.222  1.00  2.02           H   new
ATOM      0  HH  TYR A  26       6.029   5.372  -0.017  1.00  3.45           H   new
ATOM    390  N   THR A  27       6.535   2.215  -8.251  1.00  0.41           N
ATOM    391  CA  THR A  27       6.638   1.778  -9.630  1.00  0.53           C
ATOM    392  C   THR A  27       5.648   0.651  -9.928  1.00  0.45           C
ATOM    393  O   THR A  27       5.531   0.191 -11.063  1.00  0.67           O
ATOM    394  CB  THR A  27       8.073   1.306  -9.928  1.00  0.66           C
ATOM    395  OG1 THR A  27       9.008   2.095  -9.171  1.00  1.18           O
ATOM    396  CG2 THR A  27       8.398   1.428 -11.410  1.00  1.33           C
ATOM      0  H   THR A  27       6.922   1.562  -7.569  1.00  0.41           H   new
ATOM      0  HA  THR A  27       6.394   2.625 -10.272  1.00  0.53           H   new
ATOM      0  HB  THR A  27       8.150   0.257  -9.643  1.00  0.66           H   new
ATOM      0  HG1 THR A  27       9.921   1.792  -9.361  1.00  1.18           H   new
ATOM      0 HG21 THR A  27       9.418   1.087 -11.588  1.00  1.33           H   new
ATOM      0 HG22 THR A  27       7.705   0.815 -11.986  1.00  1.33           H   new
ATOM      0 HG23 THR A  27       8.304   2.469 -11.718  1.00  1.33           H   new
ATOM    404  N   GLY A  28       4.942   0.211  -8.900  1.00  0.29           N
ATOM    405  CA  GLY A  28       3.956  -0.830  -9.074  1.00  0.31           C
ATOM    406  C   GLY A  28       2.805  -0.675  -8.109  1.00  0.29           C
ATOM    407  O   GLY A  28       2.947  -0.036  -7.064  1.00  0.35           O
ATOM      0  H   GLY A  28       5.035   0.558  -7.945  1.00  0.29           H   new
ATOM      0  HA2 GLY A  28       3.579  -0.807 -10.097  1.00  0.31           H   new
ATOM      0  HA3 GLY A  28       4.425  -1.803  -8.928  1.00  0.31           H   new
ATOM    411  N   SER A  29       1.668  -1.262  -8.446  1.00  0.31           N
ATOM    412  CA  SER A  29       0.482  -1.132  -7.623  1.00  0.34           C
ATOM    413  C   SER A  29      -0.255  -2.460  -7.479  1.00  0.37           C
ATOM    414  O   SER A  29      -0.387  -3.224  -8.438  1.00  0.52           O
ATOM    415  CB  SER A  29      -0.446  -0.088  -8.235  1.00  0.43           C
ATOM    416  OG  SER A  29      -0.740  -0.396  -9.590  1.00  0.96           O
ATOM      0  H   SER A  29       1.544  -1.832  -9.283  1.00  0.31           H   new
ATOM      0  HA  SER A  29       0.793  -0.818  -6.627  1.00  0.34           H   new
ATOM      0  HB2 SER A  29      -1.371  -0.039  -7.661  1.00  0.43           H   new
ATOM      0  HB3 SER A  29       0.019   0.896  -8.175  1.00  0.43           H   new
ATOM      0  HG  SER A  29      -1.338   0.287  -9.959  1.00  0.96           H   new
ATOM    422  N   CYS A  30      -0.717  -2.730  -6.270  1.00  0.34           N
ATOM    423  CA  CYS A  30      -1.570  -3.878  -6.002  1.00  0.40           C
ATOM    424  C   CYS A  30      -2.896  -3.393  -5.425  1.00  0.37           C
ATOM    425  O   CYS A  30      -2.934  -2.810  -4.339  1.00  0.43           O
ATOM    426  CB  CYS A  30      -0.880  -4.852  -5.041  1.00  0.55           C
ATOM    427  SG  CYS A  30       0.606  -5.654  -5.736  1.00  1.01           S
ATOM      0  H   CYS A  30      -0.513  -2.162  -5.448  1.00  0.34           H   new
ATOM      0  HA  CYS A  30      -1.759  -4.412  -6.933  1.00  0.40           H   new
ATOM      0  HB2 CYS A  30      -0.600  -4.315  -4.135  1.00  0.55           H   new
ATOM      0  HB3 CYS A  30      -1.593  -5.623  -4.748  1.00  0.55           H   new
ATOM    432  N   GLY A  31      -3.974  -3.595  -6.180  1.00  0.39           N
ATOM    433  CA  GLY A  31      -5.288  -3.133  -5.762  1.00  0.40           C
ATOM    434  C   GLY A  31      -5.741  -3.739  -4.449  1.00  0.40           C
ATOM    435  O   GLY A  31      -5.500  -4.918  -4.184  1.00  0.49           O
ATOM      0  H   GLY A  31      -3.960  -4.074  -7.080  1.00  0.39           H   new
ATOM      0  HA2 GLY A  31      -5.272  -2.047  -5.668  1.00  0.40           H   new
ATOM      0  HA3 GLY A  31      -6.015  -3.375  -6.537  1.00  0.40           H   new
ATOM    439  N   TYR A  32      -6.399  -2.935  -3.625  1.00  0.38           N
ATOM    440  CA  TYR A  32      -6.887  -3.393  -2.335  1.00  0.42           C
ATOM    441  C   TYR A  32      -8.293  -2.854  -2.089  1.00  0.42           C
ATOM    442  O   TYR A  32      -8.803  -2.076  -2.892  1.00  0.41           O
ATOM    443  CB  TYR A  32      -5.939  -2.933  -1.227  1.00  0.47           C
ATOM    444  CG  TYR A  32      -5.467  -4.045  -0.318  1.00  0.63           C
ATOM    445  CD1 TYR A  32      -6.213  -4.437   0.785  1.00  0.97           C
ATOM    446  CD2 TYR A  32      -4.271  -4.704  -0.568  1.00  1.00           C
ATOM    447  CE1 TYR A  32      -5.779  -5.453   1.615  1.00  1.30           C
ATOM    448  CE2 TYR A  32      -3.832  -5.721   0.255  1.00  1.29           C
ATOM    449  CZ  TYR A  32      -4.588  -6.091   1.344  1.00  1.34           C
ATOM    450  OH  TYR A  32      -4.157  -7.109   2.162  1.00  1.75           O
ATOM      0  H   TYR A  32      -6.607  -1.958  -3.830  1.00  0.38           H   new
ATOM      0  HA  TYR A  32      -6.926  -4.482  -2.333  1.00  0.42           H   new
ATOM      0  HB2 TYR A  32      -5.070  -2.456  -1.681  1.00  0.47           H   new
ATOM      0  HB3 TYR A  32      -6.441  -2.175  -0.626  1.00  0.47           H   new
ATOM      0  HD1 TYR A  32      -7.148  -3.940   0.998  1.00  0.97           H   new
ATOM      0  HD2 TYR A  32      -3.674  -4.416  -1.421  1.00  1.00           H   new
ATOM      0  HE1 TYR A  32      -6.370  -5.745   2.471  1.00  1.30           H   new
ATOM      0  HE2 TYR A  32      -2.900  -6.224   0.046  1.00  1.29           H   new
ATOM      0  HH  TYR A  32      -3.301  -7.453   1.832  1.00  1.75           H   new
ATOM    460  N   PHE A  33      -8.900  -3.269  -0.978  1.00  0.48           N
ATOM    461  CA  PHE A  33     -10.273  -2.879  -0.637  1.00  0.54           C
ATOM    462  C   PHE A  33     -10.432  -1.360  -0.580  1.00  0.56           C
ATOM    463  O   PHE A  33     -10.090  -0.733   0.424  1.00  1.24           O
ATOM    464  CB  PHE A  33     -10.676  -3.485   0.712  1.00  0.64           C
ATOM    465  CG  PHE A  33     -10.632  -4.986   0.745  1.00  1.00           C
ATOM    466  CD1 PHE A  33     -11.722  -5.734   0.334  1.00  1.18           C
ATOM    467  CD2 PHE A  33      -9.502  -5.646   1.198  1.00  1.38           C
ATOM    468  CE1 PHE A  33     -11.685  -7.114   0.372  1.00  1.63           C
ATOM    469  CE2 PHE A  33      -9.457  -7.026   1.238  1.00  1.86           C
ATOM    470  CZ  PHE A  33     -10.550  -7.761   0.825  1.00  1.96           C
ATOM      0  H   PHE A  33      -8.460  -3.881  -0.291  1.00  0.48           H   new
ATOM      0  HA  PHE A  33     -10.925  -3.261  -1.423  1.00  0.54           H   new
ATOM      0  HB2 PHE A  33     -10.015  -3.095   1.486  1.00  0.64           H   new
ATOM      0  HB3 PHE A  33     -11.685  -3.156   0.960  1.00  0.64           H   new
ATOM      0  HD1 PHE A  33     -12.611  -5.233  -0.020  1.00  1.18           H   new
ATOM      0  HD2 PHE A  33      -8.645  -5.075   1.524  1.00  1.38           H   new
ATOM      0  HE1 PHE A  33     -12.541  -7.687   0.048  1.00  1.63           H   new
ATOM      0  HE2 PHE A  33      -8.569  -7.529   1.592  1.00  1.86           H   new
ATOM      0  HZ  PHE A  33     -10.519  -8.840   0.856  1.00  1.96           H   new
ATOM    480  N   LEU A  34     -10.946  -0.785  -1.666  1.00  0.56           N
ATOM    481  CA  LEU A  34     -11.160   0.662  -1.775  1.00  0.53           C
ATOM    482  C   LEU A  34      -9.845   1.427  -1.635  1.00  0.43           C
ATOM    483  O   LEU A  34      -9.835   2.635  -1.386  1.00  0.49           O
ATOM    484  CB  LEU A  34     -12.167   1.148  -0.727  1.00  0.63           C
ATOM    485  CG  LEU A  34     -13.559   0.519  -0.818  1.00  0.92           C
ATOM    486  CD1 LEU A  34     -14.457   1.064   0.279  1.00  1.75           C
ATOM    487  CD2 LEU A  34     -14.175   0.768  -2.188  1.00  1.57           C
ATOM      0  H   LEU A  34     -11.227  -1.307  -2.496  1.00  0.56           H   new
ATOM      0  HA  LEU A  34     -11.568   0.859  -2.766  1.00  0.53           H   new
ATOM      0  HB2 LEU A  34     -11.760   0.948   0.264  1.00  0.63           H   new
ATOM      0  HB3 LEU A  34     -12.268   2.229  -0.818  1.00  0.63           H   new
ATOM      0  HG  LEU A  34     -13.460  -0.558  -0.682  1.00  0.92           H   new
ATOM      0 HD11 LEU A  34     -15.444   0.608   0.202  1.00  1.75           H   new
ATOM      0 HD12 LEU A  34     -14.025   0.831   1.252  1.00  1.75           H   new
ATOM      0 HD13 LEU A  34     -14.548   2.145   0.171  1.00  1.75           H   new
ATOM      0 HD21 LEU A  34     -15.164   0.312  -2.230  1.00  1.57           H   new
ATOM      0 HD22 LEU A  34     -14.262   1.841  -2.358  1.00  1.57           H   new
ATOM      0 HD23 LEU A  34     -13.540   0.329  -2.958  1.00  1.57           H   new
ATOM    499  N   GLY A  35      -8.740   0.724  -1.822  1.00  0.34           N
ATOM    500  CA  GLY A  35      -7.439   1.330  -1.670  1.00  0.34           C
ATOM    501  C   GLY A  35      -6.433   0.756  -2.641  1.00  0.28           C
ATOM    502  O   GLY A  35      -6.784  -0.055  -3.503  1.00  0.33           O
ATOM      0  H   GLY A  35      -8.723  -0.263  -2.078  1.00  0.34           H   new
ATOM      0  HA2 GLY A  35      -7.519   2.406  -1.824  1.00  0.34           H   new
ATOM      0  HA3 GLY A  35      -7.086   1.180  -0.650  1.00  0.34           H   new
ATOM    506  N   ILE A  36      -5.186   1.163  -2.504  1.00  0.24           N
ATOM    507  CA  ILE A  36      -4.143   0.711  -3.402  1.00  0.23           C
ATOM    508  C   ILE A  36      -2.827   0.527  -2.650  1.00  0.22           C
ATOM    509  O   ILE A  36      -2.367   1.419  -1.942  1.00  0.26           O
ATOM    510  CB  ILE A  36      -3.965   1.695  -4.587  1.00  0.27           C
ATOM    511  CG1 ILE A  36      -2.905   1.190  -5.564  1.00  0.29           C
ATOM    512  CG2 ILE A  36      -3.616   3.094  -4.090  1.00  0.31           C
ATOM    513  CD1 ILE A  36      -2.760   2.057  -6.796  1.00  0.37           C
ATOM      0  H   ILE A  36      -4.871   1.807  -1.778  1.00  0.24           H   new
ATOM      0  HA  ILE A  36      -4.443  -0.255  -3.809  1.00  0.23           H   new
ATOM      0  HB  ILE A  36      -4.916   1.751  -5.117  1.00  0.27           H   new
ATOM      0 HG12 ILE A  36      -1.945   1.137  -5.051  1.00  0.29           H   new
ATOM      0 HG13 ILE A  36      -3.159   0.175  -5.871  1.00  0.29           H   new
ATOM      0 HG21 ILE A  36      -3.497   3.764  -4.942  1.00  0.31           H   new
ATOM      0 HG22 ILE A  36      -4.416   3.462  -3.448  1.00  0.31           H   new
ATOM      0 HG23 ILE A  36      -2.685   3.057  -3.524  1.00  0.31           H   new
ATOM      0 HD11 ILE A  36      -1.991   1.640  -7.446  1.00  0.37           H   new
ATOM      0 HD12 ILE A  36      -3.709   2.090  -7.332  1.00  0.37           H   new
ATOM      0 HD13 ILE A  36      -2.476   3.067  -6.499  1.00  0.37           H   new
ATOM    525  N   CYS A  37      -2.242  -0.651  -2.776  1.00  0.24           N
ATOM    526  CA  CYS A  37      -0.974  -0.931  -2.131  1.00  0.27           C
ATOM    527  C   CYS A  37       0.149  -0.723  -3.136  1.00  0.24           C
ATOM    528  O   CYS A  37       0.327  -1.518  -4.058  1.00  0.33           O
ATOM    529  CB  CYS A  37      -0.955  -2.360  -1.583  1.00  0.37           C
ATOM    530  SG  CYS A  37       0.302  -2.637  -0.291  1.00  1.11           S
ATOM      0  H   CYS A  37      -2.624  -1.426  -3.318  1.00  0.24           H   new
ATOM      0  HA  CYS A  37      -0.835  -0.252  -1.290  1.00  0.27           H   new
ATOM      0  HB2 CYS A  37      -1.938  -2.596  -1.176  1.00  0.37           H   new
ATOM      0  HB3 CYS A  37      -0.775  -3.052  -2.406  1.00  0.37           H   new
ATOM    535  N   CYS A  38       0.883   0.362  -2.976  1.00  0.23           N
ATOM    536  CA  CYS A  38       1.899   0.740  -3.943  1.00  0.25           C
ATOM    537  C   CYS A  38       3.281   0.284  -3.501  1.00  0.20           C
ATOM    538  O   CYS A  38       3.659   0.436  -2.340  1.00  0.21           O
ATOM    539  CB  CYS A  38       1.884   2.251  -4.155  1.00  0.35           C
ATOM    540  SG  CYS A  38       0.330   2.876  -4.866  1.00  1.14           S
ATOM      0  H   CYS A  38       0.795   0.999  -2.184  1.00  0.23           H   new
ATOM      0  HA  CYS A  38       1.669   0.244  -4.886  1.00  0.25           H   new
ATOM      0  HB2 CYS A  38       2.060   2.745  -3.199  1.00  0.35           H   new
ATOM      0  HB3 CYS A  38       2.710   2.525  -4.812  1.00  0.35           H   new
ATOM    545  N   TYR A  39       4.034  -0.265  -4.439  1.00  0.21           N
ATOM    546  CA  TYR A  39       5.369  -0.750  -4.159  1.00  0.21           C
ATOM    547  C   TYR A  39       6.360  -0.182  -5.168  1.00  0.25           C
ATOM    548  O   TYR A  39       5.969   0.281  -6.244  1.00  0.29           O
ATOM    549  CB  TYR A  39       5.398  -2.286  -4.170  1.00  0.24           C
ATOM    550  CG  TYR A  39       4.913  -2.927  -5.455  1.00  0.28           C
ATOM    551  CD1 TYR A  39       5.786  -3.192  -6.504  1.00  0.36           C
ATOM    552  CD2 TYR A  39       3.583  -3.287  -5.606  1.00  0.33           C
ATOM    553  CE1 TYR A  39       5.344  -3.793  -7.668  1.00  0.45           C
ATOM    554  CE2 TYR A  39       3.133  -3.890  -6.764  1.00  0.41           C
ATOM    555  CZ  TYR A  39       4.016  -4.141  -7.791  1.00  0.46           C
ATOM    556  OH  TYR A  39       3.561  -4.739  -8.947  1.00  0.57           O
ATOM      0  H   TYR A  39       3.738  -0.385  -5.408  1.00  0.21           H   new
ATOM      0  HA  TYR A  39       5.661  -0.413  -3.164  1.00  0.21           H   new
ATOM      0  HB2 TYR A  39       6.419  -2.616  -3.980  1.00  0.24           H   new
ATOM      0  HB3 TYR A  39       4.786  -2.652  -3.346  1.00  0.24           H   new
ATOM      0  HD1 TYR A  39       6.828  -2.924  -6.408  1.00  0.36           H   new
ATOM      0  HD2 TYR A  39       2.886  -3.092  -4.804  1.00  0.33           H   new
ATOM      0  HE1 TYR A  39       6.034  -3.988  -8.475  1.00  0.45           H   new
ATOM      0  HE2 TYR A  39       2.093  -4.164  -6.864  1.00  0.41           H   new
ATOM      0  HH  TYR A  39       2.601  -4.919  -8.866  1.00  0.57           H   new
ATOM    566  N   PRO A  40       7.655  -0.182  -4.833  1.00  0.28           N
ATOM    567  CA  PRO A  40       8.151  -0.649  -3.544  1.00  0.27           C
ATOM    568  C   PRO A  40       8.228   0.471  -2.512  1.00  0.31           C
ATOM    569  O   PRO A  40       8.282   1.652  -2.866  1.00  0.48           O
ATOM    570  CB  PRO A  40       9.547  -1.152  -3.900  1.00  0.45           C
ATOM    571  CG  PRO A  40       9.992  -0.306  -5.051  1.00  0.46           C
ATOM    572  CD  PRO A  40       8.753   0.260  -5.704  1.00  0.36           C
ATOM      0  HA  PRO A  40       7.504  -1.399  -3.088  1.00  0.27           H   new
ATOM      0  HB2 PRO A  40      10.228  -1.054  -3.054  1.00  0.45           H   new
ATOM      0  HB3 PRO A  40       9.527  -2.207  -4.173  1.00  0.45           H   new
ATOM      0  HG2 PRO A  40      10.645   0.496  -4.707  1.00  0.46           H   new
ATOM      0  HG3 PRO A  40      10.564  -0.899  -5.764  1.00  0.46           H   new
ATOM      0  HD2 PRO A  40       8.798   1.347  -5.769  1.00  0.36           H   new
ATOM      0  HD3 PRO A  40       8.631  -0.115  -6.720  1.00  0.36           H   new
ATOM    580  N   VAL A  41       8.197   0.099  -1.238  1.00  0.32           N
ATOM    581  CA  VAL A  41       8.405   1.059  -0.162  1.00  0.50           C
ATOM    582  C   VAL A  41       9.884   1.435  -0.108  1.00  0.62           C
ATOM    583  O   VAL A  41      10.634   0.964   0.752  1.00  0.74           O
ATOM    584  CB  VAL A  41       7.964   0.498   1.212  1.00  0.68           C
ATOM    585  CG1 VAL A  41       8.018   1.578   2.282  1.00  1.31           C
ATOM    586  CG2 VAL A  41       6.569  -0.091   1.124  1.00  1.13           C
ATOM      0  H   VAL A  41       8.030  -0.858  -0.926  1.00  0.32           H   new
ATOM      0  HA  VAL A  41       7.793   1.936  -0.371  1.00  0.50           H   new
ATOM      0  HB  VAL A  41       8.658  -0.294   1.492  1.00  0.68           H   new
ATOM      0 HG11 VAL A  41       7.704   1.159   3.238  1.00  1.31           H   new
ATOM      0 HG12 VAL A  41       9.037   1.954   2.368  1.00  1.31           H   new
ATOM      0 HG13 VAL A  41       7.352   2.396   2.008  1.00  1.31           H   new
ATOM      0 HG21 VAL A  41       6.276  -0.480   2.099  1.00  1.13           H   new
ATOM      0 HG22 VAL A  41       5.866   0.683   0.816  1.00  1.13           H   new
ATOM      0 HG23 VAL A  41       6.561  -0.900   0.393  1.00  1.13           H   new