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 Single : A   2 THR OG1 :   rot  -19:sc=    0.33
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+   -173:sc=  -0.011   (180deg=-0.1)
USER  MOD Single : A   9 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  13 TYR OH  :   rot   22:sc=    1.25
USER  MOD Single : A  17 THR OG1 :   rot -121:sc=    1.63
USER  MOD Single : A  18 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  19 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  22 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  23 ASN     :      amide:sc=  -0.386  K(o=-0.39,f=-3.4!)
USER  MOD Single : A  26 TYR OH  :   rot  180:sc= -0.0122
USER  MOD Single : A  27 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  29 SER OG  :   rot  -56:sc=   0.326
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       0.131  -0.541   7.567  1.00  1.13           N
ATOM     11  CA  THR A   2      -0.485  -0.572   6.254  1.00  0.62           C
ATOM     12  C   THR A   2       0.523  -1.019   5.199  1.00  0.47           C
ATOM     13  O   THR A   2       0.947  -0.238   4.349  1.00  0.51           O
ATOM     14  CB  THR A   2      -1.057   0.813   5.892  1.00  0.67           C
ATOM     15  OG1 THR A   2      -0.129   1.836   6.277  1.00  1.13           O
ATOM     16  CG2 THR A   2      -2.393   1.046   6.584  1.00  1.00           C
ATOM      0  HA  THR A   2      -1.304  -1.291   6.278  1.00  0.62           H   new
ATOM      0  HB  THR A   2      -1.215   0.849   4.814  1.00  0.67           H   new
ATOM      0  HG1 THR A   2       0.499   1.476   6.938  1.00  1.13           H   new
ATOM      0 HG21 THR A   2      -2.776   2.030   6.313  1.00  1.00           H   new
ATOM      0 HG22 THR A   2      -3.103   0.281   6.271  1.00  1.00           H   new
ATOM      0 HG23 THR A   2      -2.257   0.995   7.664  1.00  1.00           H   new
ATOM     24  N   THR A   3       0.915  -2.281   5.265  1.00  0.58           N
ATOM     25  CA  THR A   3       1.906  -2.820   4.352  1.00  0.55           C
ATOM     26  C   THR A   3       1.455  -4.166   3.786  1.00  0.43           C
ATOM     27  O   THR A   3       0.872  -4.986   4.499  1.00  0.53           O
ATOM     28  CB  THR A   3       3.262  -2.984   5.069  1.00  0.70           C
ATOM     29  OG1 THR A   3       3.662  -1.727   5.632  1.00  1.12           O
ATOM     30  CG2 THR A   3       4.338  -3.475   4.116  1.00  0.98           C
ATOM      0  H   THR A   3       0.559  -2.953   5.945  1.00  0.58           H   new
ATOM      0  HA  THR A   3       2.019  -2.117   3.526  1.00  0.55           H   new
ATOM      0  HB  THR A   3       3.140  -3.727   5.857  1.00  0.70           H   new
ATOM      0  HG1 THR A   3       4.523  -1.832   6.089  1.00  1.12           H   new
ATOM      0 HG21 THR A   3       5.280  -3.580   4.654  1.00  0.98           H   new
ATOM      0 HG22 THR A   3       4.046  -4.441   3.704  1.00  0.98           H   new
ATOM      0 HG23 THR A   3       4.461  -2.757   3.305  1.00  0.98           H   new
ATOM     38  N   CYS A   4       1.704  -4.372   2.504  1.00  0.39           N
ATOM     39  CA  CYS A   4       1.396  -5.634   1.856  1.00  0.45           C
ATOM     40  C   CYS A   4       2.649  -6.162   1.173  1.00  0.38           C
ATOM     41  O   CYS A   4       3.664  -5.468   1.108  1.00  0.51           O
ATOM     42  CB  CYS A   4       0.275  -5.455   0.826  1.00  0.73           C
ATOM     43  SG  CYS A   4       0.783  -4.586  -0.699  1.00  1.01           S
ATOM      0  H   CYS A   4       2.122  -3.675   1.888  1.00  0.39           H   new
ATOM      0  HA  CYS A   4       1.057  -6.346   2.608  1.00  0.45           H   new
ATOM      0  HB2 CYS A   4      -0.115  -6.437   0.557  1.00  0.73           H   new
ATOM      0  HB3 CYS A   4      -0.543  -4.903   1.289  1.00  0.73           H   new
ATOM     48  N   TYR A   5       2.592  -7.388   0.685  1.00  0.47           N
ATOM     49  CA  TYR A   5       3.697  -7.950  -0.071  1.00  0.50           C
ATOM     50  C   TYR A   5       3.208  -8.493  -1.403  1.00  0.61           C
ATOM     51  O   TYR A   5       2.540  -9.524  -1.458  1.00  0.85           O
ATOM     52  CB  TYR A   5       4.401  -9.055   0.723  1.00  0.58           C
ATOM     53  CG  TYR A   5       5.200  -8.551   1.904  1.00  0.56           C
ATOM     54  CD1 TYR A   5       6.478  -8.033   1.730  1.00  0.59           C
ATOM     55  CD2 TYR A   5       4.679  -8.595   3.190  1.00  0.63           C
ATOM     56  CE1 TYR A   5       7.212  -7.573   2.806  1.00  0.66           C
ATOM     57  CE2 TYR A   5       5.407  -8.136   4.271  1.00  0.69           C
ATOM     58  CZ  TYR A   5       6.671  -7.627   4.074  1.00  0.70           C
ATOM     59  OH  TYR A   5       7.399  -7.165   5.149  1.00  0.81           O
ATOM      0  H   TYR A   5       1.794  -8.013   0.798  1.00  0.47           H   new
ATOM      0  HA  TYR A   5       4.416  -7.152  -0.258  1.00  0.50           H   new
ATOM      0  HB2 TYR A   5       3.654  -9.764   1.079  1.00  0.58           H   new
ATOM      0  HB3 TYR A   5       5.066  -9.601   0.054  1.00  0.58           H   new
ATOM      0  HD1 TYR A   5       6.904  -7.989   0.738  1.00  0.59           H   new
ATOM      0  HD2 TYR A   5       3.688  -8.995   3.348  1.00  0.63           H   new
ATOM      0  HE1 TYR A   5       8.204  -7.173   2.655  1.00  0.66           H   new
ATOM      0  HE2 TYR A   5       4.987  -8.176   5.265  1.00  0.69           H   new
ATOM      0  HH  TYR A   5       6.875  -7.273   5.970  1.00  0.81           H   new
ATOM     69  N   CYS A   6       3.522  -7.784  -2.472  1.00  0.51           N
ATOM     70  CA  CYS A   6       3.207  -8.253  -3.812  1.00  0.62           C
ATOM     71  C   CYS A   6       4.361  -9.113  -4.307  1.00  0.70           C
ATOM     72  O   CYS A   6       5.428  -8.602  -4.661  1.00  0.69           O
ATOM     73  CB  CYS A   6       2.948  -7.072  -4.751  1.00  0.61           C
ATOM     74  SG  CYS A   6       1.567  -6.000  -4.222  1.00  1.20           S
ATOM      0  H   CYS A   6       3.995  -6.881  -2.440  1.00  0.51           H   new
ATOM      0  HA  CYS A   6       2.296  -8.851  -3.793  1.00  0.62           H   new
ATOM      0  HB2 CYS A   6       3.855  -6.472  -4.823  1.00  0.61           H   new
ATOM      0  HB3 CYS A   6       2.738  -7.453  -5.750  1.00  0.61           H   new
ATOM     79  N   GLY A   7       4.155 -10.422  -4.297  1.00  0.85           N
ATOM     80  CA  GLY A   7       5.255 -11.338  -4.486  1.00  0.97           C
ATOM     81  C   GLY A   7       6.160 -11.316  -3.274  1.00  0.93           C
ATOM     82  O   GLY A   7       5.755 -11.726  -2.188  1.00  1.01           O
ATOM      0  H   GLY A   7       3.246 -10.863  -4.161  1.00  0.85           H   new
ATOM      0  HA2 GLY A   7       4.875 -12.347  -4.648  1.00  0.97           H   new
ATOM      0  HA3 GLY A   7       5.820 -11.063  -5.377  1.00  0.97           H   new
ATOM     86  N   LYS A   8       7.371 -10.814  -3.448  1.00  0.91           N
ATOM     87  CA  LYS A   8       8.260 -10.577  -2.328  1.00  0.94           C
ATOM     88  C   LYS A   8       8.513  -9.084  -2.181  1.00  0.79           C
ATOM     89  O   LYS A   8       9.288  -8.647  -1.326  1.00  0.86           O
ATOM     90  CB  LYS A   8       9.584 -11.314  -2.512  1.00  1.16           C
ATOM     91  CG  LYS A   8       9.424 -12.808  -2.736  1.00  1.65           C
ATOM     92  CD  LYS A   8      10.771 -13.505  -2.835  1.00  2.18           C
ATOM     93  CE  LYS A   8      11.628 -12.926  -3.951  1.00  3.07           C
ATOM     94  NZ  LYS A   8      10.973 -13.027  -5.284  1.00  3.65           N
ATOM      0  H   LYS A   8       7.760 -10.563  -4.357  1.00  0.91           H   new
ATOM      0  HA  LYS A   8       7.783 -10.957  -1.424  1.00  0.94           H   new
ATOM      0  HB2 LYS A   8      10.115 -10.883  -3.361  1.00  1.16           H   new
ATOM      0  HB3 LYS A   8      10.206 -11.152  -1.631  1.00  1.16           H   new
ATOM      0  HG2 LYS A   8       8.849 -13.240  -1.917  1.00  1.65           H   new
ATOM      0  HG3 LYS A   8       8.856 -12.981  -3.650  1.00  1.65           H   new
ATOM      0  HD2 LYS A   8      11.299 -13.411  -1.886  1.00  2.18           H   new
ATOM      0  HD3 LYS A   8      10.617 -14.570  -3.011  1.00  2.18           H   new
ATOM      0  HE2 LYS A   8      11.843 -11.880  -3.734  1.00  3.07           H   new
ATOM      0  HE3 LYS A   8      12.584 -13.449  -3.979  1.00  3.07           H   new
ATOM      0  HZ1 LYS A   8      11.642 -12.729  -6.023  1.00  3.65           H   new
ATOM      0  HZ2 LYS A   8      10.684 -14.011  -5.455  1.00  3.65           H   new
ATOM      0  HZ3 LYS A   8      10.135 -12.411  -5.307  1.00  3.65           H   new
ATOM    108  N   THR A   9       7.851  -8.301  -3.023  1.00  0.66           N
ATOM    109  CA  THR A   9       8.047  -6.868  -3.027  1.00  0.55           C
ATOM    110  C   THR A   9       7.138  -6.201  -2.004  1.00  0.42           C
ATOM    111  O   THR A   9       5.911  -6.314  -2.073  1.00  0.42           O
ATOM    112  CB  THR A   9       7.786  -6.274  -4.423  1.00  0.55           C
ATOM    113  OG1 THR A   9       8.451  -7.065  -5.419  1.00  0.72           O
ATOM    114  CG2 THR A   9       8.292  -4.840  -4.493  1.00  0.50           C
ATOM      0  H   THR A   9       7.176  -8.639  -3.709  1.00  0.66           H   new
ATOM      0  HA  THR A   9       9.086  -6.676  -2.760  1.00  0.55           H   new
ATOM      0  HB  THR A   9       6.712  -6.280  -4.609  1.00  0.55           H   new
ATOM      0  HG1 THR A   9       8.281  -6.685  -6.306  1.00  0.72           H   new
ATOM      0 HG21 THR A   9       8.100  -4.434  -5.486  1.00  0.50           H   new
ATOM      0 HG22 THR A   9       7.775  -4.235  -3.748  1.00  0.50           H   new
ATOM      0 HG23 THR A   9       9.364  -4.822  -4.295  1.00  0.50           H   new
ATOM    122  N   ILE A  10       7.754  -5.528  -1.045  1.00  0.39           N
ATOM    123  CA  ILE A  10       7.027  -4.842   0.009  1.00  0.32           C
ATOM    124  C   ILE A  10       6.326  -3.591  -0.531  1.00  0.24           C
ATOM    125  O   ILE A  10       6.954  -2.722  -1.147  1.00  0.31           O
ATOM    126  CB  ILE A  10       7.976  -4.474   1.175  1.00  0.46           C
ATOM    127  CG1 ILE A  10       7.243  -3.655   2.239  1.00  0.64           C
ATOM    128  CG2 ILE A  10       9.200  -3.728   0.661  1.00  0.56           C
ATOM    129  CD1 ILE A  10       8.105  -3.280   3.426  1.00  1.06           C
ATOM      0  H   ILE A  10       8.768  -5.443  -0.976  1.00  0.39           H   new
ATOM      0  HA  ILE A  10       6.262  -5.520   0.387  1.00  0.32           H   new
ATOM      0  HB  ILE A  10       8.315  -5.400   1.640  1.00  0.46           H   new
ATOM      0 HG12 ILE A  10       6.857  -2.745   1.781  1.00  0.64           H   new
ATOM      0 HG13 ILE A  10       6.383  -4.223   2.592  1.00  0.64           H   new
ATOM      0 HG21 ILE A  10       9.853  -3.480   1.498  1.00  0.56           H   new
ATOM      0 HG22 ILE A  10       9.740  -4.358  -0.046  1.00  0.56           H   new
ATOM      0 HG23 ILE A  10       8.885  -2.811   0.162  1.00  0.56           H   new
ATOM      0 HD11 ILE A  10       7.515  -2.701   4.136  1.00  1.06           H   new
ATOM      0 HD12 ILE A  10       8.470  -4.185   3.911  1.00  1.06           H   new
ATOM      0 HD13 ILE A  10       8.952  -2.683   3.087  1.00  1.06           H   new
ATOM    141  N   GLY A  11       5.020  -3.520  -0.312  1.00  0.22           N
ATOM    142  CA  GLY A  11       4.239  -2.392  -0.775  1.00  0.32           C
ATOM    143  C   GLY A  11       3.495  -1.716   0.356  1.00  0.28           C
ATOM    144  O   GLY A  11       3.146  -2.355   1.343  1.00  0.36           O
ATOM      0  H   GLY A  11       4.484  -4.232   0.184  1.00  0.22           H   new
ATOM      0  HA2 GLY A  11       4.897  -1.670  -1.259  1.00  0.32           H   new
ATOM      0  HA3 GLY A  11       3.526  -2.729  -1.528  1.00  0.32           H   new
ATOM    148  N   ILE A  12       3.256  -0.425   0.217  1.00  0.25           N
ATOM    149  CA  ILE A  12       2.571   0.338   1.246  1.00  0.25           C
ATOM    150  C   ILE A  12       1.118   0.571   0.828  1.00  0.22           C
ATOM    151  O   ILE A  12       0.834   0.979  -0.300  1.00  0.22           O
ATOM    152  CB  ILE A  12       3.323   1.670   1.537  1.00  0.30           C
ATOM    153  CG1 ILE A  12       2.758   2.395   2.776  1.00  0.33           C
ATOM    154  CG2 ILE A  12       3.314   2.583   0.318  1.00  0.30           C
ATOM    155  CD1 ILE A  12       1.516   3.224   2.522  1.00  0.29           C
ATOM      0  H   ILE A  12       3.527   0.120  -0.602  1.00  0.25           H   new
ATOM      0  HA  ILE A  12       2.565  -0.228   2.178  1.00  0.25           H   new
ATOM      0  HB  ILE A  12       4.358   1.411   1.760  1.00  0.30           H   new
ATOM      0 HG12 ILE A  12       2.531   1.652   3.541  1.00  0.33           H   new
ATOM      0 HG13 ILE A  12       3.533   3.044   3.183  1.00  0.33           H   new
ATOM      0 HG21 ILE A  12       3.846   3.505   0.550  1.00  0.30           H   new
ATOM      0 HG22 ILE A  12       3.805   2.081  -0.516  1.00  0.30           H   new
ATOM      0 HG23 ILE A  12       2.285   2.817   0.046  1.00  0.30           H   new
ATOM      0 HD11 ILE A  12       1.195   3.694   3.452  1.00  0.29           H   new
ATOM      0 HD12 ILE A  12       1.738   3.995   1.784  1.00  0.29           H   new
ATOM      0 HD13 ILE A  12       0.720   2.581   2.147  1.00  0.29           H   new
ATOM    167  N   TYR A  13       0.204   0.277   1.738  1.00  0.24           N
ATOM    168  CA  TYR A  13      -1.220   0.338   1.452  1.00  0.23           C
ATOM    169  C   TYR A  13      -1.780   1.732   1.708  1.00  0.21           C
ATOM    170  O   TYR A  13      -1.701   2.256   2.821  1.00  0.26           O
ATOM    171  CB  TYR A  13      -1.958  -0.708   2.295  1.00  0.28           C
ATOM    172  CG  TYR A  13      -3.456  -0.508   2.368  1.00  0.32           C
ATOM    173  CD1 TYR A  13      -4.247  -0.534   1.226  1.00  0.53           C
ATOM    174  CD2 TYR A  13      -4.075  -0.281   3.590  1.00  0.49           C
ATOM    175  CE1 TYR A  13      -5.614  -0.341   1.303  1.00  0.65           C
ATOM    176  CE2 TYR A  13      -5.437  -0.087   3.676  1.00  0.61           C
ATOM    177  CZ  TYR A  13      -6.202  -0.119   2.531  1.00  0.64           C
ATOM    178  OH  TYR A  13      -7.559   0.081   2.619  1.00  0.80           O
ATOM      0  H   TYR A  13       0.427  -0.009   2.691  1.00  0.24           H   new
ATOM      0  HA  TYR A  13      -1.371   0.118   0.395  1.00  0.23           H   new
ATOM      0  HB2 TYR A  13      -1.755  -1.697   1.884  1.00  0.28           H   new
ATOM      0  HB3 TYR A  13      -1.552  -0.694   3.306  1.00  0.28           H   new
ATOM      0  HD1 TYR A  13      -3.787  -0.707   0.264  1.00  0.53           H   new
ATOM      0  HD2 TYR A  13      -3.478  -0.256   4.490  1.00  0.49           H   new
ATOM      0  HE1 TYR A  13      -6.217  -0.364   0.408  1.00  0.65           H   new
ATOM      0  HE2 TYR A  13      -5.901   0.089   4.635  1.00  0.61           H   new
ATOM      0  HH  TYR A  13      -7.998  -0.302   1.831  1.00  0.80           H   new
ATOM    188  N   TRP A  14      -2.335   2.325   0.664  1.00  0.20           N
ATOM    189  CA  TRP A  14      -2.960   3.630   0.757  1.00  0.20           C
ATOM    190  C   TRP A  14      -4.474   3.492   0.784  1.00  0.21           C
ATOM    191  O   TRP A  14      -5.071   2.867  -0.099  1.00  0.27           O
ATOM    192  CB  TRP A  14      -2.537   4.508  -0.422  1.00  0.23           C
ATOM    193  CG  TRP A  14      -1.082   4.852  -0.418  1.00  0.23           C
ATOM    194  CD1 TRP A  14      -0.079   4.189  -1.063  1.00  0.28           C
ATOM    195  CD2 TRP A  14      -0.465   5.941   0.271  1.00  0.28           C
ATOM    196  NE1 TRP A  14       1.125   4.802  -0.818  1.00  0.31           N
ATOM    197  CE2 TRP A  14       0.915   5.879  -0.002  1.00  0.31           C
ATOM    198  CE3 TRP A  14      -0.945   6.963   1.089  1.00  0.35           C
ATOM    199  CZ2 TRP A  14       1.818   6.801   0.517  1.00  0.40           C
ATOM    200  CZ3 TRP A  14      -0.049   7.878   1.603  1.00  0.45           C
ATOM    201  CH2 TRP A  14       1.319   7.792   1.314  1.00  0.47           C
ATOM      0  H   TRP A  14      -2.364   1.915  -0.269  1.00  0.20           H   new
ATOM      0  HA  TRP A  14      -2.633   4.103   1.683  1.00  0.20           H   new
ATOM      0  HB2 TRP A  14      -2.778   3.994  -1.352  1.00  0.23           H   new
ATOM      0  HB3 TRP A  14      -3.120   5.429  -0.406  1.00  0.23           H   new
ATOM      0  HD1 TRP A  14      -0.213   3.310  -1.677  1.00  0.28           H   new
ATOM      0  HE1 TRP A  14       2.029   4.503  -1.185  1.00  0.31           H   new
ATOM      0  HE3 TRP A  14      -1.998   7.037   1.316  1.00  0.35           H   new
ATOM      0  HZ2 TRP A  14       2.874   6.736   0.298  1.00  0.40           H   new
ATOM      0  HZ3 TRP A  14      -0.408   8.674   2.239  1.00  0.45           H   new
ATOM      0  HH2 TRP A  14       1.994   8.525   1.730  1.00  0.47           H   new
ATOM    212  N   PHE A  15      -5.084   4.066   1.808  1.00  0.32           N
ATOM    213  CA  PHE A  15      -6.527   4.056   1.953  1.00  0.38           C
ATOM    214  C   PHE A  15      -7.059   5.480   1.895  1.00  0.41           C
ATOM    215  O   PHE A  15      -6.701   6.317   2.725  1.00  0.57           O
ATOM    216  CB  PHE A  15      -6.926   3.391   3.277  1.00  0.46           C
ATOM    217  CG  PHE A  15      -8.403   3.425   3.555  1.00  0.55           C
ATOM    218  CD1 PHE A  15      -9.281   2.677   2.789  1.00  0.65           C
ATOM    219  CD2 PHE A  15      -8.913   4.199   4.587  1.00  0.62           C
ATOM    220  CE1 PHE A  15     -10.638   2.701   3.045  1.00  0.75           C
ATOM    221  CE2 PHE A  15     -10.268   4.227   4.847  1.00  0.70           C
ATOM    222  CZ  PHE A  15     -11.135   3.502   4.058  1.00  0.75           C
ATOM      0  H   PHE A  15      -4.593   4.550   2.559  1.00  0.32           H   new
ATOM      0  HA  PHE A  15      -6.962   3.481   1.135  1.00  0.38           H   new
ATOM      0  HB2 PHE A  15      -6.592   2.353   3.266  1.00  0.46           H   new
ATOM      0  HB3 PHE A  15      -6.401   3.886   4.094  1.00  0.46           H   new
ATOM      0  HD1 PHE A  15      -8.900   2.068   1.982  1.00  0.65           H   new
ATOM      0  HD2 PHE A  15      -8.241   4.787   5.195  1.00  0.62           H   new
ATOM      0  HE1 PHE A  15     -11.310   2.095   2.455  1.00  0.75           H   new
ATOM      0  HE2 PHE A  15     -10.649   4.816   5.668  1.00  0.70           H   new
ATOM      0  HZ  PHE A  15     -12.200   3.559   4.230  1.00  0.75           H   new
ATOM    232  N   GLY A  16      -7.905   5.755   0.915  1.00  0.50           N
ATOM    233  CA  GLY A  16      -8.437   7.094   0.756  1.00  0.60           C
ATOM    234  C   GLY A  16      -7.928   7.766  -0.501  1.00  0.65           C
ATOM    235  O   GLY A  16      -8.082   8.976  -0.675  1.00  1.07           O
ATOM      0  H   GLY A  16      -8.233   5.077   0.227  1.00  0.50           H   new
ATOM      0  HA2 GLY A  16      -9.526   7.049   0.727  1.00  0.60           H   new
ATOM      0  HA3 GLY A  16      -8.166   7.696   1.623  1.00  0.60           H   new
ATOM    239  N   THR A  17      -7.316   6.983  -1.380  1.00  0.46           N
ATOM    240  CA  THR A  17      -6.831   7.495  -2.651  1.00  0.47           C
ATOM    241  C   THR A  17      -6.735   6.376  -3.680  1.00  0.50           C
ATOM    242  O   THR A  17      -6.413   5.236  -3.351  1.00  0.57           O
ATOM    243  CB  THR A  17      -5.453   8.195  -2.516  1.00  0.48           C
ATOM    244  OG1 THR A  17      -4.970   8.591  -3.810  1.00  0.56           O
ATOM    245  CG2 THR A  17      -4.424   7.292  -1.855  1.00  0.47           C
ATOM      0  H   THR A  17      -7.144   5.988  -1.234  1.00  0.46           H   new
ATOM      0  HA  THR A  17      -7.554   8.239  -2.986  1.00  0.47           H   new
ATOM      0  HB  THR A  17      -5.595   9.073  -1.886  1.00  0.48           H   new
ATOM      0  HG1 THR A  17      -4.102   8.168  -3.979  1.00  0.56           H   new
ATOM      0 HG21 THR A  17      -3.473   7.819  -1.779  1.00  0.47           H   new
ATOM      0 HG22 THR A  17      -4.768   7.018  -0.858  1.00  0.47           H   new
ATOM      0 HG23 THR A  17      -4.293   6.391  -2.454  1.00  0.47           H   new
ATOM    253  N   LYS A  18      -7.053   6.715  -4.920  1.00  0.58           N
ATOM    254  CA  LYS A  18      -6.951   5.783  -6.029  1.00  0.69           C
ATOM    255  C   LYS A  18      -5.565   5.879  -6.670  1.00  0.64           C
ATOM    256  O   LYS A  18      -5.170   5.025  -7.461  1.00  0.71           O
ATOM    257  CB  LYS A  18      -8.049   6.090  -7.060  1.00  0.91           C
ATOM    258  CG  LYS A  18      -8.000   5.232  -8.314  1.00  1.70           C
ATOM    259  CD  LYS A  18      -8.230   3.763  -8.005  1.00  2.32           C
ATOM    260  CE  LYS A  18      -8.159   2.918  -9.268  1.00  3.29           C
ATOM    261  NZ  LYS A  18      -8.449   1.487  -8.999  1.00  3.98           N
ATOM      0  H   LYS A  18      -7.388   7.642  -5.184  1.00  0.58           H   new
ATOM      0  HA  LYS A  18      -7.087   4.766  -5.662  1.00  0.69           H   new
ATOM      0  HB2 LYS A  18      -9.021   5.960  -6.585  1.00  0.91           H   new
ATOM      0  HB3 LYS A  18      -7.974   7.138  -7.350  1.00  0.91           H   new
ATOM      0  HG2 LYS A  18      -8.756   5.577  -9.020  1.00  1.70           H   new
ATOM      0  HG3 LYS A  18      -7.032   5.354  -8.799  1.00  1.70           H   new
ATOM      0  HD2 LYS A  18      -7.483   3.418  -7.291  1.00  2.32           H   new
ATOM      0  HD3 LYS A  18      -9.204   3.636  -7.533  1.00  2.32           H   new
ATOM      0  HE2 LYS A  18      -8.870   3.300 -10.000  1.00  3.29           H   new
ATOM      0  HE3 LYS A  18      -7.167   3.010  -9.710  1.00  3.29           H   new
ATOM      0  HZ1 LYS A  18      -8.390   0.948  -9.886  1.00  3.98           H   new
ATOM      0  HZ2 LYS A  18      -7.755   1.114  -8.320  1.00  3.98           H   new
ATOM      0  HZ3 LYS A  18      -9.406   1.395  -8.602  1.00  3.98           H   new
ATOM    275  N   THR A  19      -4.818   6.917  -6.309  1.00  0.62           N
ATOM    276  CA  THR A  19      -3.522   7.156  -6.925  1.00  0.69           C
ATOM    277  C   THR A  19      -2.416   7.194  -5.877  1.00  0.60           C
ATOM    278  O   THR A  19      -2.605   7.695  -4.767  1.00  0.89           O
ATOM    279  CB  THR A  19      -3.515   8.474  -7.743  1.00  0.84           C
ATOM    280  OG1 THR A  19      -2.222   8.692  -8.330  1.00  1.60           O
ATOM    281  CG2 THR A  19      -3.896   9.670  -6.880  1.00  1.50           C
ATOM      0  H   THR A  19      -5.086   7.599  -5.600  1.00  0.62           H   new
ATOM      0  HA  THR A  19      -3.334   6.326  -7.607  1.00  0.69           H   new
ATOM      0  HB  THR A  19      -4.259   8.373  -8.533  1.00  0.84           H   new
ATOM      0  HG1 THR A  19      -2.233   9.526  -8.844  1.00  1.60           H   new
ATOM      0 HG21 THR A  19      -3.881  10.576  -7.486  1.00  1.50           H   new
ATOM      0 HG22 THR A  19      -4.897   9.522  -6.474  1.00  1.50           H   new
ATOM      0 HG23 THR A  19      -3.184   9.769  -6.061  1.00  1.50           H   new
ATOM    289  N   CYS A  20      -1.269   6.640  -6.235  1.00  0.60           N
ATOM    290  CA  CYS A  20      -0.097   6.685  -5.378  1.00  0.62           C
ATOM    291  C   CYS A  20       0.479   8.094  -5.358  1.00  0.52           C
ATOM    292  O   CYS A  20       0.593   8.733  -6.405  1.00  0.65           O
ATOM    293  CB  CYS A  20       0.970   5.715  -5.886  1.00  0.87           C
ATOM    294  SG  CYS A  20       0.414   3.988  -6.032  1.00  0.91           S
ATOM      0  H   CYS A  20      -1.125   6.151  -7.119  1.00  0.60           H   new
ATOM      0  HA  CYS A  20      -0.396   6.397  -4.370  1.00  0.62           H   new
ATOM      0  HB2 CYS A  20       1.317   6.055  -6.862  1.00  0.87           H   new
ATOM      0  HB3 CYS A  20       1.826   5.752  -5.213  1.00  0.87           H   new
ATOM    299  N   PRO A  21       0.825   8.603  -4.170  1.00  0.45           N
ATOM    300  CA  PRO A  21       1.516   9.884  -4.034  1.00  0.56           C
ATOM    301  C   PRO A  21       2.928   9.788  -4.609  1.00  0.71           C
ATOM    302  O   PRO A  21       3.860   9.347  -3.926  1.00  0.82           O
ATOM    303  CB  PRO A  21       1.560  10.130  -2.519  1.00  0.62           C
ATOM    304  CG  PRO A  21       0.623   9.135  -1.915  1.00  0.51           C
ATOM    305  CD  PRO A  21       0.567   7.976  -2.868  1.00  0.49           C
ATOM      0  HA  PRO A  21       1.018  10.692  -4.570  1.00  0.56           H   new
ATOM      0  HB2 PRO A  21       2.570  10.000  -2.131  1.00  0.62           H   new
ATOM      0  HB3 PRO A  21       1.255  11.149  -2.280  1.00  0.62           H   new
ATOM      0  HG2 PRO A  21       0.975   8.815  -0.934  1.00  0.51           H   new
ATOM      0  HG3 PRO A  21      -0.367   9.569  -1.773  1.00  0.51           H   new
ATOM      0  HD2 PRO A  21       1.316   7.221  -2.629  1.00  0.49           H   new
ATOM      0  HD3 PRO A  21      -0.404   7.481  -2.844  1.00  0.49           H   new
ATOM    313  N   SER A  22       3.074  10.192  -5.864  1.00  0.99           N
ATOM    314  CA  SER A  22       4.297   9.962  -6.614  1.00  1.26           C
ATOM    315  C   SER A  22       5.374  10.983  -6.249  1.00  1.32           C
ATOM    316  O   SER A  22       5.756  11.828  -7.060  1.00  1.83           O
ATOM    317  CB  SER A  22       3.994  10.002  -8.116  1.00  1.68           C
ATOM    318  OG  SER A  22       4.997   9.338  -8.870  1.00  2.07           O
ATOM      0  H   SER A  22       2.351  10.686  -6.387  1.00  0.99           H   new
ATOM      0  HA  SER A  22       4.684   8.977  -6.354  1.00  1.26           H   new
ATOM      0  HB2 SER A  22       3.027   9.535  -8.305  1.00  1.68           H   new
ATOM      0  HB3 SER A  22       3.917  11.038  -8.445  1.00  1.68           H   new
ATOM      0  HG  SER A  22       4.772   9.381  -9.823  1.00  2.07           H   new
ATOM    324  N   ASN A  23       5.846  10.905  -5.017  1.00  1.04           N
ATOM    325  CA  ASN A  23       6.966  11.720  -4.578  1.00  1.20           C
ATOM    326  C   ASN A  23       7.888  10.923  -3.662  1.00  1.07           C
ATOM    327  O   ASN A  23       8.733  11.486  -2.969  1.00  1.27           O
ATOM    328  CB  ASN A  23       6.498  13.008  -3.883  1.00  1.39           C
ATOM    329  CG  ASN A  23       5.581  12.767  -2.698  1.00  1.32           C
ATOM    330  OD1 ASN A  23       6.038  12.517  -1.583  1.00  1.83           O
ATOM    331  ND2 ASN A  23       4.279  12.865  -2.923  1.00  1.61           N
ATOM      0  H   ASN A  23       5.470  10.284  -4.301  1.00  1.04           H   new
ATOM      0  HA  ASN A  23       7.524  12.011  -5.468  1.00  1.20           H   new
ATOM      0  HB2 ASN A  23       7.372  13.566  -3.547  1.00  1.39           H   new
ATOM      0  HB3 ASN A  23       5.980  13.634  -4.610  1.00  1.39           H   new
ATOM      0 HD21 ASN A  23       3.618  12.732  -2.158  1.00  1.61           H   new
ATOM      0 HD22 ASN A  23       3.938  13.074  -3.861  1.00  1.61           H   new
ATOM    338  N   ARG A  24       7.720   9.604  -3.666  1.00  0.95           N
ATOM    339  CA  ARG A  24       8.611   8.718  -2.924  1.00  1.02           C
ATOM    340  C   ARG A  24       9.492   7.948  -3.897  1.00  1.13           C
ATOM    341  O   ARG A  24      10.719   7.993  -3.816  1.00  1.71           O
ATOM    342  CB  ARG A  24       7.837   7.711  -2.063  1.00  1.06           C
ATOM    343  CG  ARG A  24       7.313   8.252  -0.738  1.00  1.42           C
ATOM    344  CD  ARG A  24       6.082   9.126  -0.918  1.00  1.41           C
ATOM    345  NE  ARG A  24       5.320   9.247   0.326  1.00  2.03           N
ATOM    346  CZ  ARG A  24       4.291  10.073   0.492  1.00  2.71           C
ATOM    347  NH1 ARG A  24       3.961  10.910  -0.473  1.00  3.19           N
ATOM    348  NH2 ARG A  24       3.606  10.075   1.627  1.00  3.39           N
ATOM      0  H   ARG A  24       6.976   9.126  -4.174  1.00  0.95           H   new
ATOM      0  HA  ARG A  24       9.214   9.342  -2.264  1.00  1.02           H   new
ATOM      0  HB2 ARG A  24       6.993   7.336  -2.642  1.00  1.06           H   new
ATOM      0  HB3 ARG A  24       8.486   6.860  -1.857  1.00  1.06           H   new
ATOM      0  HG2 ARG A  24       7.071   7.419  -0.078  1.00  1.42           H   new
ATOM      0  HG3 ARG A  24       8.097   8.829  -0.248  1.00  1.42           H   new
ATOM      0  HD2 ARG A  24       6.385  10.116  -1.258  1.00  1.41           H   new
ATOM      0  HD3 ARG A  24       5.446   8.703  -1.695  1.00  1.41           H   new
ATOM      0  HE  ARG A  24       5.595   8.661   1.114  1.00  2.03           H   new
ATOM      0 HH11 ARG A  24       4.494  10.922  -1.342  1.00  3.19           H   new
ATOM      0 HH12 ARG A  24       3.172  11.545  -0.350  1.00  3.19           H   new
ATOM      0 HH21 ARG A  24       3.867   9.440   2.381  1.00  3.39           H   new
ATOM      0 HH22 ARG A  24       2.818  10.712   1.746  1.00  3.39           H   new
ATOM    362  N   GLY A  25       8.843   7.269  -4.833  1.00  0.93           N
ATOM    363  CA  GLY A  25       9.546   6.422  -5.773  1.00  1.10           C
ATOM    364  C   GLY A  25       8.707   5.235  -6.208  1.00  0.81           C
ATOM    365  O   GLY A  25       9.110   4.474  -7.093  1.00  0.78           O
ATOM      0  H   GLY A  25       7.831   7.291  -4.958  1.00  0.93           H   new
ATOM      0  HA2 GLY A  25       9.827   7.007  -6.648  1.00  1.10           H   new
ATOM      0  HA3 GLY A  25      10.470   6.065  -5.318  1.00  1.10           H   new
ATOM    369  N   TYR A  26       7.531   5.092  -5.591  1.00  0.71           N
ATOM    370  CA  TYR A  26       6.615   3.988  -5.885  1.00  0.50           C
ATOM    371  C   TYR A  26       6.342   3.888  -7.383  1.00  0.49           C
ATOM    372  O   TYR A  26       6.176   4.902  -8.063  1.00  0.71           O
ATOM    373  CB  TYR A  26       5.286   4.177  -5.143  1.00  0.51           C
ATOM    374  CG  TYR A  26       5.432   4.424  -3.659  1.00  0.93           C
ATOM    375  CD1 TYR A  26       6.242   3.612  -2.879  1.00  1.52           C
ATOM    376  CD2 TYR A  26       4.757   5.464  -3.039  1.00  1.20           C
ATOM    377  CE1 TYR A  26       6.374   3.829  -1.522  1.00  2.35           C
ATOM    378  CE2 TYR A  26       4.882   5.690  -1.684  1.00  2.02           C
ATOM    379  CZ  TYR A  26       5.706   4.886  -0.932  1.00  2.61           C
ATOM    380  OH  TYR A  26       5.820   5.093   0.423  1.00  3.45           O
ATOM      0  H   TYR A  26       7.189   5.735  -4.877  1.00  0.71           H   new
ATOM      0  HA  TYR A  26       7.091   3.067  -5.548  1.00  0.50           H   new
ATOM      0  HB2 TYR A  26       4.751   5.016  -5.588  1.00  0.51           H   new
ATOM      0  HB3 TYR A  26       4.670   3.290  -5.293  1.00  0.51           H   new
ATOM      0  HD1 TYR A  26       6.778   2.796  -3.341  1.00  1.52           H   new
ATOM      0  HD2 TYR A  26       4.122   6.109  -3.628  1.00  1.20           H   new
ATOM      0  HE1 TYR A  26       6.995   3.177  -0.925  1.00  2.35           H   new
ATOM      0  HE2 TYR A  26       4.335   6.495  -1.216  1.00  2.02           H   new
ATOM      0  HH  TYR A  26       5.290   5.877   0.680  1.00  3.45           H   new
ATOM    390  N   THR A  27       6.301   2.667  -7.891  1.00  0.41           N
ATOM    391  CA  THR A  27       6.129   2.447  -9.314  1.00  0.53           C
ATOM    392  C   THR A  27       5.050   1.397  -9.584  1.00  0.45           C
ATOM    393  O   THR A  27       4.151   1.614 -10.396  1.00  0.67           O
ATOM    394  CB  THR A  27       7.462   2.015  -9.954  1.00  0.66           C
ATOM    395  OG1 THR A  27       8.478   2.982  -9.649  1.00  1.18           O
ATOM    396  CG2 THR A  27       7.329   1.878 -11.462  1.00  1.33           C
ATOM      0  H   THR A  27       6.385   1.814  -7.337  1.00  0.41           H   new
ATOM      0  HA  THR A  27       5.808   3.387  -9.763  1.00  0.53           H   new
ATOM      0  HB  THR A  27       7.738   1.043  -9.544  1.00  0.66           H   new
ATOM      0  HG1 THR A  27       9.326   2.705 -10.055  1.00  1.18           H   new
ATOM      0 HG21 THR A  27       8.286   1.572 -11.885  1.00  1.33           H   new
ATOM      0 HG22 THR A  27       6.573   1.128 -11.694  1.00  1.33           H   new
ATOM      0 HG23 THR A  27       7.033   2.836 -11.890  1.00  1.33           H   new
ATOM    404  N   GLY A  28       5.137   0.271  -8.892  1.00  0.29           N
ATOM    405  CA  GLY A  28       4.160  -0.781  -9.063  1.00  0.31           C
ATOM    406  C   GLY A  28       3.014  -0.653  -8.088  1.00  0.29           C
ATOM    407  O   GLY A  28       3.143   0.000  -7.050  1.00  0.35           O
ATOM      0  H   GLY A  28       5.870   0.068  -8.213  1.00  0.29           H   new
ATOM      0  HA2 GLY A  28       3.774  -0.755 -10.082  1.00  0.31           H   new
ATOM      0  HA3 GLY A  28       4.643  -1.749  -8.930  1.00  0.31           H   new
ATOM    411  N   SER A  29       1.891  -1.275  -8.405  1.00  0.31           N
ATOM    412  CA  SER A  29       0.716  -1.179  -7.560  1.00  0.34           C
ATOM    413  C   SER A  29      -0.036  -2.503  -7.506  1.00  0.37           C
ATOM    414  O   SER A  29       0.070  -3.330  -8.412  1.00  0.52           O
ATOM    415  CB  SER A  29      -0.207  -0.075  -8.075  1.00  0.43           C
ATOM    416  OG  SER A  29       0.474   1.168  -8.149  1.00  0.96           O
ATOM      0  H   SER A  29       1.770  -1.850  -9.239  1.00  0.31           H   new
ATOM      0  HA  SER A  29       1.044  -0.936  -6.550  1.00  0.34           H   new
ATOM      0  HB2 SER A  29      -0.586  -0.344  -9.061  1.00  0.43           H   new
ATOM      0  HB3 SER A  29      -1.070   0.018  -7.416  1.00  0.43           H   new
ATOM      0  HG  SER A  29       0.850   1.388  -7.271  1.00  0.96           H   new
ATOM    422  N   CYS A  30      -0.758  -2.705  -6.419  1.00  0.34           N
ATOM    423  CA  CYS A  30      -1.652  -3.840  -6.272  1.00  0.40           C
ATOM    424  C   CYS A  30      -2.985  -3.357  -5.711  1.00  0.37           C
ATOM    425  O   CYS A  30      -3.022  -2.743  -4.638  1.00  0.43           O
ATOM    426  CB  CYS A  30      -1.044  -4.897  -5.338  1.00  0.55           C
ATOM    427  SG  CYS A  30       0.518  -5.638  -5.927  1.00  1.01           S
ATOM      0  H   CYS A  30      -0.741  -2.084  -5.610  1.00  0.34           H   new
ATOM      0  HA  CYS A  30      -1.805  -4.298  -7.249  1.00  0.40           H   new
ATOM      0  HB2 CYS A  30      -0.868  -4.441  -4.364  1.00  0.55           H   new
ATOM      0  HB3 CYS A  30      -1.774  -5.693  -5.191  1.00  0.55           H   new
ATOM    432  N   GLY A  31      -4.064  -3.590  -6.450  1.00  0.39           N
ATOM    433  CA  GLY A  31      -5.383  -3.223  -5.971  1.00  0.40           C
ATOM    434  C   GLY A  31      -5.706  -3.914  -4.663  1.00  0.40           C
ATOM    435  O   GLY A  31      -5.636  -5.141  -4.576  1.00  0.49           O
ATOM      0  H   GLY A  31      -4.049  -4.026  -7.372  1.00  0.39           H   new
ATOM      0  HA2 GLY A  31      -5.436  -2.143  -5.837  1.00  0.40           H   new
ATOM      0  HA3 GLY A  31      -6.130  -3.488  -6.719  1.00  0.40           H   new
ATOM    439  N   TYR A  32      -6.051  -3.142  -3.645  1.00  0.38           N
ATOM    440  CA  TYR A  32      -6.242  -3.700  -2.320  1.00  0.42           C
ATOM    441  C   TYR A  32      -7.600  -3.297  -1.761  1.00  0.42           C
ATOM    442  O   TYR A  32      -8.343  -2.556  -2.407  1.00  0.41           O
ATOM    443  CB  TYR A  32      -5.111  -3.241  -1.396  1.00  0.47           C
ATOM    444  CG  TYR A  32      -4.715  -4.270  -0.360  1.00  0.63           C
ATOM    445  CD1 TYR A  32      -4.242  -5.521  -0.733  1.00  1.00           C
ATOM    446  CD2 TYR A  32      -4.822  -3.985   0.994  1.00  0.97           C
ATOM    447  CE1 TYR A  32      -3.886  -6.461   0.216  1.00  1.29           C
ATOM    448  CE2 TYR A  32      -4.467  -4.917   1.949  1.00  1.30           C
ATOM    449  CZ  TYR A  32      -3.976  -6.170   1.528  1.00  1.34           C
ATOM    450  OH  TYR A  32      -3.646  -7.082   2.503  1.00  1.75           O
ATOM      0  H   TYR A  32      -6.203  -2.136  -3.711  1.00  0.38           H   new
ATOM      0  HA  TYR A  32      -6.218  -4.788  -2.385  1.00  0.42           H   new
ATOM      0  HB2 TYR A  32      -4.238  -2.993  -2.000  1.00  0.47           H   new
ATOM      0  HB3 TYR A  32      -5.418  -2.327  -0.888  1.00  0.47           H   new
ATOM      0  HD1 TYR A  32      -4.151  -5.764  -1.781  1.00  1.00           H   new
ATOM      0  HD2 TYR A  32      -5.189  -3.018   1.306  1.00  0.97           H   new
ATOM      0  HE1 TYR A  32      -3.534  -7.433  -0.096  1.00  1.29           H   new
ATOM      0  HE2 TYR A  32      -4.564  -4.690   3.000  1.00  1.30           H   new
ATOM      0  HH  TYR A  32      -3.778  -6.679   3.386  1.00  1.75           H   new
ATOM    460  N   PHE A  33      -7.910  -3.787  -0.564  1.00  0.48           N
ATOM    461  CA  PHE A  33      -9.207  -3.555   0.070  1.00  0.54           C
ATOM    462  C   PHE A  33      -9.555  -2.080   0.139  1.00  0.56           C
ATOM    463  O   PHE A  33      -9.038  -1.351   0.985  1.00  1.24           O
ATOM    464  CB  PHE A  33      -9.223  -4.147   1.477  1.00  0.64           C
ATOM    465  CG  PHE A  33      -9.121  -5.640   1.486  1.00  1.00           C
ATOM    466  CD1 PHE A  33     -10.230  -6.425   1.226  1.00  1.18           C
ATOM    467  CD2 PHE A  33      -7.917  -6.255   1.772  1.00  1.38           C
ATOM    468  CE1 PHE A  33     -10.139  -7.801   1.248  1.00  1.63           C
ATOM    469  CE2 PHE A  33      -7.817  -7.631   1.796  1.00  1.86           C
ATOM    470  CZ  PHE A  33      -8.934  -8.405   1.474  1.00  1.96           C
ATOM      0  H   PHE A  33      -7.272  -4.355  -0.006  1.00  0.48           H   new
ATOM      0  HA  PHE A  33      -9.957  -4.048  -0.548  1.00  0.54           H   new
ATOM      0  HB2 PHE A  33      -8.396  -3.729   2.050  1.00  0.64           H   new
ATOM      0  HB3 PHE A  33     -10.143  -3.848   1.980  1.00  0.64           H   new
ATOM      0  HD1 PHE A  33     -11.177  -5.956   1.003  1.00  1.18           H   new
ATOM      0  HD2 PHE A  33      -7.045  -5.652   1.979  1.00  1.38           H   new
ATOM      0  HE1 PHE A  33     -11.021  -8.402   1.086  1.00  1.63           H   new
ATOM      0  HE2 PHE A  33      -6.884  -8.105   2.061  1.00  1.86           H   new
ATOM      0  HZ  PHE A  33      -8.846  -9.479   1.404  1.00  1.96           H   new
ATOM    480  N   LEU A  34     -10.423  -1.659  -0.775  1.00  0.56           N
ATOM    481  CA  LEU A  34     -10.934  -0.295  -0.814  1.00  0.53           C
ATOM    482  C   LEU A  34      -9.789   0.717  -0.913  1.00  0.43           C
ATOM    483  O   LEU A  34      -9.899   1.850  -0.447  1.00  0.49           O
ATOM    484  CB  LEU A  34     -11.792  -0.037   0.430  1.00  0.63           C
ATOM    485  CG  LEU A  34     -12.794   1.110   0.317  1.00  0.92           C
ATOM    486  CD1 LEU A  34     -13.732   0.883  -0.858  1.00  1.75           C
ATOM    487  CD2 LEU A  34     -13.586   1.240   1.605  1.00  1.57           C
ATOM      0  H   LEU A  34     -10.793  -2.258  -1.513  1.00  0.56           H   new
ATOM      0  HA  LEU A  34     -11.553  -0.172  -1.703  1.00  0.53           H   new
ATOM      0  HB2 LEU A  34     -12.338  -0.950   0.668  1.00  0.63           H   new
ATOM      0  HB3 LEU A  34     -11.129   0.166   1.271  1.00  0.63           H   new
ATOM      0  HG  LEU A  34     -12.245   2.036   0.147  1.00  0.92           H   new
ATOM      0 HD11 LEU A  34     -14.439   1.710  -0.924  1.00  1.75           H   new
ATOM      0 HD12 LEU A  34     -13.153   0.826  -1.780  1.00  1.75           H   new
ATOM      0 HD13 LEU A  34     -14.277  -0.050  -0.714  1.00  1.75           H   new
ATOM      0 HD21 LEU A  34     -14.297   2.061   1.513  1.00  1.57           H   new
ATOM      0 HD22 LEU A  34     -14.125   0.312   1.796  1.00  1.57           H   new
ATOM      0 HD23 LEU A  34     -12.905   1.441   2.432  1.00  1.57           H   new
ATOM    499  N   GLY A  35      -8.691   0.302  -1.532  1.00  0.34           N
ATOM    500  CA  GLY A  35      -7.538   1.167  -1.649  1.00  0.34           C
ATOM    501  C   GLY A  35      -6.506   0.614  -2.605  1.00  0.28           C
ATOM    502  O   GLY A  35      -6.797  -0.290  -3.392  1.00  0.33           O
ATOM      0  H   GLY A  35      -8.580  -0.620  -1.955  1.00  0.34           H   new
ATOM      0  HA2 GLY A  35      -7.857   2.151  -1.991  1.00  0.34           H   new
ATOM      0  HA3 GLY A  35      -7.086   1.302  -0.667  1.00  0.34           H   new
ATOM    506  N   ILE A  36      -5.298   1.140  -2.534  1.00  0.24           N
ATOM    507  CA  ILE A  36      -4.239   0.728  -3.440  1.00  0.23           C
ATOM    508  C   ILE A  36      -2.929   0.524  -2.682  1.00  0.22           C
ATOM    509  O   ILE A  36      -2.503   1.378  -1.908  1.00  0.26           O
ATOM    510  CB  ILE A  36      -4.049   1.758  -4.585  1.00  0.27           C
ATOM    511  CG1 ILE A  36      -2.928   1.317  -5.530  1.00  0.29           C
ATOM    512  CG2 ILE A  36      -3.767   3.146  -4.028  1.00  0.31           C
ATOM    513  CD1 ILE A  36      -2.749   2.231  -6.723  1.00  0.37           C
ATOM      0  H   ILE A  36      -5.024   1.854  -1.859  1.00  0.24           H   new
ATOM      0  HA  ILE A  36      -4.533  -0.222  -3.886  1.00  0.23           H   new
ATOM      0  HB  ILE A  36      -4.978   1.804  -5.154  1.00  0.27           H   new
ATOM      0 HG12 ILE A  36      -1.992   1.271  -4.974  1.00  0.29           H   new
ATOM      0 HG13 ILE A  36      -3.138   0.308  -5.884  1.00  0.29           H   new
ATOM      0 HG21 ILE A  36      -3.638   3.849  -4.851  1.00  0.31           H   new
ATOM      0 HG22 ILE A  36      -4.603   3.465  -3.406  1.00  0.31           H   new
ATOM      0 HG23 ILE A  36      -2.858   3.119  -3.428  1.00  0.31           H   new
ATOM      0 HD11 ILE A  36      -1.938   1.858  -7.349  1.00  0.37           H   new
ATOM      0 HD12 ILE A  36      -3.672   2.258  -7.302  1.00  0.37           H   new
ATOM      0 HD13 ILE A  36      -2.508   3.236  -6.378  1.00  0.37           H   new
ATOM    525  N   CYS A  37      -2.310  -0.629  -2.876  1.00  0.24           N
ATOM    526  CA  CYS A  37      -1.037  -0.919  -2.242  1.00  0.27           C
ATOM    527  C   CYS A  37       0.079  -0.669  -3.247  1.00  0.24           C
ATOM    528  O   CYS A  37       0.142  -1.320  -4.287  1.00  0.33           O
ATOM    529  CB  CYS A  37      -1.010  -2.363  -1.736  1.00  0.37           C
ATOM    530  SG  CYS A  37       0.198  -2.666  -0.406  1.00  1.11           S
ATOM      0  H   CYS A  37      -2.669  -1.378  -3.467  1.00  0.24           H   new
ATOM      0  HA  CYS A  37      -0.895  -0.267  -1.380  1.00  0.27           H   new
ATOM      0  HB2 CYS A  37      -2.004  -2.629  -1.376  1.00  0.37           H   new
ATOM      0  HB3 CYS A  37      -0.786  -3.025  -2.572  1.00  0.37           H   new
ATOM    535  N   CYS A  38       0.933   0.295  -2.953  1.00  0.23           N
ATOM    536  CA  CYS A  38       1.933   0.745  -3.910  1.00  0.25           C
ATOM    537  C   CYS A  38       3.331   0.300  -3.490  1.00  0.20           C
ATOM    538  O   CYS A  38       3.717   0.453  -2.333  1.00  0.21           O
ATOM    539  CB  CYS A  38       1.871   2.267  -4.024  1.00  0.35           C
ATOM    540  SG  CYS A  38       2.099   2.901  -5.715  1.00  1.14           S
ATOM      0  H   CYS A  38       0.956   0.783  -2.058  1.00  0.23           H   new
ATOM      0  HA  CYS A  38       1.720   0.297  -4.881  1.00  0.25           H   new
ATOM      0  HB2 CYS A  38       0.907   2.609  -3.647  1.00  0.35           H   new
ATOM      0  HB3 CYS A  38       2.637   2.699  -3.380  1.00  0.35           H   new
ATOM    545  N   TYR A  39       4.089  -0.241  -4.432  1.00  0.21           N
ATOM    546  CA  TYR A  39       5.421  -0.751  -4.140  1.00  0.21           C
ATOM    547  C   TYR A  39       6.423  -0.266  -5.188  1.00  0.25           C
ATOM    548  O   TYR A  39       6.030   0.199  -6.257  1.00  0.29           O
ATOM    549  CB  TYR A  39       5.402  -2.290  -4.065  1.00  0.24           C
ATOM    550  CG  TYR A  39       5.001  -2.999  -5.344  1.00  0.28           C
ATOM    551  CD1 TYR A  39       5.950  -3.331  -6.302  1.00  0.36           C
ATOM    552  CD2 TYR A  39       3.682  -3.364  -5.576  1.00  0.33           C
ATOM    553  CE1 TYR A  39       5.598  -3.999  -7.456  1.00  0.45           C
ATOM    554  CE2 TYR A  39       3.324  -4.040  -6.729  1.00  0.41           C
ATOM    555  CZ  TYR A  39       4.285  -4.354  -7.665  1.00  0.46           C
ATOM    556  OH  TYR A  39       3.932  -5.034  -8.809  1.00  0.57           O
ATOM      0  H   TYR A  39       3.804  -0.338  -5.407  1.00  0.21           H   new
ATOM      0  HA  TYR A  39       5.736  -0.367  -3.170  1.00  0.21           H   new
ATOM      0  HB2 TYR A  39       6.394  -2.635  -3.774  1.00  0.24           H   new
ATOM      0  HB3 TYR A  39       4.716  -2.590  -3.273  1.00  0.24           H   new
ATOM      0  HD1 TYR A  39       6.983  -3.061  -6.140  1.00  0.36           H   new
ATOM      0  HD2 TYR A  39       2.925  -3.117  -4.847  1.00  0.33           H   new
ATOM      0  HE1 TYR A  39       6.349  -4.242  -8.192  1.00  0.45           H   new
ATOM      0  HE2 TYR A  39       2.294  -4.321  -6.895  1.00  0.41           H   new
ATOM      0  HH  TYR A  39       2.968  -5.209  -8.801  1.00  0.57           H   new
ATOM    566  N   PRO A  40       7.732  -0.337  -4.899  1.00  0.28           N
ATOM    567  CA  PRO A  40       8.276  -0.782  -3.608  1.00  0.27           C
ATOM    568  C   PRO A  40       8.269   0.330  -2.562  1.00  0.31           C
ATOM    569  O   PRO A  40       8.351   1.508  -2.905  1.00  0.48           O
ATOM    570  CB  PRO A  40       9.723  -1.179  -3.944  1.00  0.45           C
ATOM    571  CG  PRO A  40       9.886  -0.969  -5.417  1.00  0.46           C
ATOM    572  CD  PRO A  40       8.809  -0.010  -5.829  1.00  0.36           C
ATOM      0  HA  PRO A  40       7.684  -1.590  -3.178  1.00  0.27           H   new
ATOM      0  HB2 PRO A  40      10.433  -0.571  -3.384  1.00  0.45           H   new
ATOM      0  HB3 PRO A  40       9.913  -2.218  -3.676  1.00  0.45           H   new
ATOM      0  HG2 PRO A  40      10.873  -0.566  -5.645  1.00  0.46           H   new
ATOM      0  HG3 PRO A  40       9.794  -1.912  -5.956  1.00  0.46           H   new
ATOM      0  HD2 PRO A  40       9.129   1.027  -5.733  1.00  0.36           H   new
ATOM      0  HD3 PRO A  40       8.509  -0.156  -6.867  1.00  0.36           H   new
ATOM    580  N   VAL A  41       8.147  -0.048  -1.291  1.00  0.32           N
ATOM    581  CA  VAL A  41       8.182   0.919  -0.197  1.00  0.50           C
ATOM    582  C   VAL A  41       9.534   1.623  -0.130  1.00  0.62           C
ATOM    583  O   VAL A  41      10.507   1.090   0.415  1.00  0.74           O
ATOM    584  CB  VAL A  41       7.879   0.268   1.171  1.00  0.68           C
ATOM    585  CG1 VAL A  41       7.979   1.293   2.294  1.00  1.31           C
ATOM    586  CG2 VAL A  41       6.500  -0.360   1.160  1.00  1.13           C
ATOM      0  H   VAL A  41       8.023  -1.016  -0.994  1.00  0.32           H   new
ATOM      0  HA  VAL A  41       7.401   1.649  -0.409  1.00  0.50           H   new
ATOM      0  HB  VAL A  41       8.621  -0.510   1.349  1.00  0.68           H   new
ATOM      0 HG11 VAL A  41       7.761   0.811   3.247  1.00  1.31           H   new
ATOM      0 HG12 VAL A  41       8.986   1.708   2.319  1.00  1.31           H   new
ATOM      0 HG13 VAL A  41       7.261   2.094   2.120  1.00  1.31           H   new
ATOM      0 HG21 VAL A  41       6.300  -0.815   2.130  1.00  1.13           H   new
ATOM      0 HG22 VAL A  41       5.752   0.407   0.958  1.00  1.13           H   new
ATOM      0 HG23 VAL A  41       6.455  -1.124   0.384  1.00  1.13           H   new