USER  MOD reduce.3.24.130724 H: found=0, std=0, add=306, rem=0, adj=10
USER  MOD reduce.3.24.130724 removed 306 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  30 SER OG  :   rot   92:sc=   0.103
USER  MOD Set 1.2: A  32 HIS     :FLIP no HE2:sc=   -2.28  F(o=-2.8!,f=-2.2)
USER  MOD Single : A   1 ASP N   :NH3+   -138:sc=   0.163   (180deg=-0.437)
USER  MOD Single : A   4 SER OG  :   rot  180:sc=       0
USER  MOD Single : A   7 TYR OH  :   rot    6:sc=  -0.547
USER  MOD Single : A   8 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  16 ASN     :      amide:sc=   -3.62! C(o=-3.6!,f=-11!)
USER  MOD Single : A  18 THR OG1 :   rot -170:sc= -0.0264
USER  MOD Single : A  24 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  29 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  34 SER OG  :   rot  180:sc=  0.0814
USER  MOD Single : A  36 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  38 LYS NZ  :NH3+   -159:sc=       0   (180deg=-0.0068)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   ASP A   1      -0.708  -1.020  -2.302  1.00  0.00           N
ATOM      2  CA  ASP A   1       0.046  -0.403  -3.430  1.00  0.00           C
ATOM      3  C   ASP A   1      -0.499  -0.971  -4.708  1.00  0.00           C
ATOM      4  O   ASP A   1      -1.304  -1.882  -4.631  1.00  0.00           O
ATOM      5  CB  ASP A   1       1.521  -0.754  -3.285  1.00  0.00           C
ATOM      6  CG  ASP A   1       1.965  -0.219  -1.926  1.00  0.00           C
ATOM      7  OD1 ASP A   1       1.546   0.898  -1.645  1.00  0.00           O
ATOM      8  OD2 ASP A   1       2.670  -0.978  -1.289  1.00  0.00           O
ATOM      0  H1  ASP A   1      -0.928  -0.292  -1.592  1.00  0.00           H   new
ATOM      0  H2  ASP A   1      -1.593  -1.433  -2.660  1.00  0.00           H   new
ATOM      0  H3  ASP A   1      -0.130  -1.766  -1.865  1.00  0.00           H   new
ATOM      0  HA  ASP A   1      -0.059   0.682  -3.431  1.00  0.00           H   new
ATOM      0  HB2 ASP A   1       1.670  -1.832  -3.345  1.00  0.00           H   new
ATOM      0  HB3 ASP A   1       2.107  -0.306  -4.088  1.00  0.00           H   new
ATOM     15  N   CYS A   2      -0.041  -0.438  -5.810  1.00  0.00           N
ATOM     16  CA  CYS A   2      -0.531  -0.932  -7.147  1.00  0.00           C
ATOM     17  C   CYS A   2       0.623  -0.991  -8.183  1.00  0.00           C
ATOM     18  O   CYS A   2       1.752  -0.733  -7.833  1.00  0.00           O
ATOM     19  CB  CYS A   2      -1.659   0.018  -7.628  1.00  0.00           C
ATOM     20  SG  CYS A   2      -3.089   0.254  -6.543  1.00  0.00           S
ATOM      0  H   CYS A   2       0.647   0.314  -5.851  1.00  0.00           H   new
ATOM      0  HA  CYS A   2      -0.915  -1.947  -7.045  1.00  0.00           H   new
ATOM      0  HB2 CYS A   2      -1.216   0.996  -7.814  1.00  0.00           H   new
ATOM      0  HB3 CYS A   2      -2.024  -0.354  -8.585  1.00  0.00           H   new
ATOM     25  N   LEU A   3       0.370  -1.315  -9.430  1.00  0.00           N
ATOM     26  CA  LEU A   3       1.497  -1.375 -10.435  1.00  0.00           C
ATOM     27  C   LEU A   3       1.495  -0.136 -11.330  1.00  0.00           C
ATOM     28  O   LEU A   3       0.452   0.441 -11.567  1.00  0.00           O
ATOM     29  CB  LEU A   3       1.337  -2.646 -11.337  1.00  0.00           C
ATOM     30  CG  LEU A   3       1.939  -3.910 -10.651  1.00  0.00           C
ATOM     31  CD1 LEU A   3       1.515  -5.165 -11.382  1.00  0.00           C
ATOM     32  CD2 LEU A   3       3.442  -3.821 -10.757  1.00  0.00           C
ATOM      0  H   LEU A   3      -0.554  -1.539  -9.798  1.00  0.00           H   new
ATOM      0  HA  LEU A   3       2.437  -1.418  -9.885  1.00  0.00           H   new
ATOM      0  HB2 LEU A   3       0.281  -2.813 -11.549  1.00  0.00           H   new
ATOM      0  HB3 LEU A   3       1.831  -2.479 -12.294  1.00  0.00           H   new
ATOM      0  HG  LEU A   3       1.596  -3.952  -9.617  1.00  0.00           H   new
ATOM      0 HD11 LEU A   3       1.945  -6.036 -10.888  1.00  0.00           H   new
ATOM      0 HD12 LEU A   3       0.428  -5.242 -11.372  1.00  0.00           H   new
ATOM      0 HD13 LEU A   3       1.866  -5.122 -12.413  1.00  0.00           H   new
ATOM      0 HD21 LEU A   3       3.892  -4.694 -10.285  1.00  0.00           H   new
ATOM      0 HD22 LEU A   3       3.731  -3.787 -11.807  1.00  0.00           H   new
ATOM      0 HD23 LEU A   3       3.789  -2.918 -10.256  1.00  0.00           H   new
ATOM     44  N   SER A   4       2.645   0.249 -11.809  1.00  0.00           N
ATOM     45  CA  SER A   4       2.708   1.442 -12.689  1.00  0.00           C
ATOM     46  C   SER A   4       2.128   1.254 -14.097  1.00  0.00           C
ATOM     47  O   SER A   4       2.844   0.923 -15.023  1.00  0.00           O
ATOM     48  CB  SER A   4       4.171   1.868 -12.794  1.00  0.00           C
ATOM     49  OG  SER A   4       4.161   3.200 -12.317  1.00  0.00           O
ATOM      0  H   SER A   4       3.538  -0.210 -11.629  1.00  0.00           H   new
ATOM      0  HA  SER A   4       2.077   2.202 -12.227  1.00  0.00           H   new
ATOM      0  HB2 SER A   4       4.819   1.231 -12.192  1.00  0.00           H   new
ATOM      0  HB3 SER A   4       4.533   1.812 -13.821  1.00  0.00           H   new
ATOM      0  HG  SER A   4       5.070   3.564 -12.345  1.00  0.00           H   new
ATOM     55  N   GLY A   5       0.844   1.464 -14.228  1.00  0.00           N
ATOM     56  CA  GLY A   5       0.175   1.323 -15.568  1.00  0.00           C
ATOM     57  C   GLY A   5       0.831   2.210 -16.645  1.00  0.00           C
ATOM     58  O   GLY A   5       0.492   2.123 -17.807  1.00  0.00           O
ATOM      0  H   GLY A   5       0.222   1.729 -13.464  1.00  0.00           H   new
ATOM      0  HA2 GLY A   5       0.216   0.281 -15.884  1.00  0.00           H   new
ATOM      0  HA3 GLY A   5      -0.879   1.587 -15.475  1.00  0.00           H   new
ATOM     62  N   ARG A   6       1.748   3.052 -16.234  1.00  0.00           N
ATOM     63  CA  ARG A   6       2.451   3.952 -17.194  1.00  0.00           C
ATOM     64  C   ARG A   6       3.893   3.430 -17.390  1.00  0.00           C
ATOM     65  O   ARG A   6       4.507   3.763 -18.382  1.00  0.00           O
ATOM     66  CB  ARG A   6       2.459   5.428 -16.630  1.00  0.00           C
ATOM     67  CG  ARG A   6       2.951   6.352 -17.768  1.00  0.00           C
ATOM     68  CD  ARG A   6       2.909   7.853 -17.415  1.00  0.00           C
ATOM     69  NE  ARG A   6       1.499   8.393 -17.483  1.00  0.00           N
ATOM     70  CZ  ARG A   6       1.127   9.360 -16.678  1.00  0.00           C
ATOM     71  NH1 ARG A   6       2.062  10.079 -16.172  1.00  0.00           N
ATOM     72  NH2 ARG A   6      -0.134   9.562 -16.421  1.00  0.00           N
ATOM      0  H   ARG A   6       2.041   3.153 -15.262  1.00  0.00           H   new
ATOM      0  HA  ARG A   6       1.938   3.959 -18.155  1.00  0.00           H   new
ATOM      0  HB2 ARG A   6       1.461   5.720 -16.302  1.00  0.00           H   new
ATOM      0  HB3 ARG A   6       3.114   5.504 -15.762  1.00  0.00           H   new
ATOM      0  HG2 ARG A   6       3.973   6.078 -18.029  1.00  0.00           H   new
ATOM      0  HG3 ARG A   6       2.339   6.179 -18.653  1.00  0.00           H   new
ATOM      0  HD2 ARG A   6       3.311   8.005 -16.413  1.00  0.00           H   new
ATOM      0  HD3 ARG A   6       3.547   8.409 -18.102  1.00  0.00           H   new
ATOM      0  HE  ARG A   6       0.836   8.006 -18.155  1.00  0.00           H   new
ATOM      0 HH11 ARG A   6       3.036   9.885 -16.403  1.00  0.00           H   new
ATOM      0 HH12 ARG A   6       1.831  10.845 -15.539  1.00  0.00           H   new
ATOM      0 HH21 ARG A   6      -0.843   8.965 -16.847  1.00  0.00           H   new
ATOM      0 HH22 ARG A   6      -0.412  10.317 -15.794  1.00  0.00           H   new
ATOM     86  N   TYR A   7       4.394   2.630 -16.475  1.00  0.00           N
ATOM     87  CA  TYR A   7       5.794   2.097 -16.619  1.00  0.00           C
ATOM     88  C   TYR A   7       5.619   0.834 -17.439  1.00  0.00           C
ATOM     89  O   TYR A   7       4.640   0.133 -17.289  1.00  0.00           O
ATOM     90  CB  TYR A   7       6.412   1.667 -15.262  1.00  0.00           C
ATOM     91  CG  TYR A   7       7.828   1.078 -15.383  1.00  0.00           C
ATOM     92  CD1 TYR A   7       8.000  -0.282 -15.628  1.00  0.00           C
ATOM     93  CD2 TYR A   7       8.950   1.880 -15.239  1.00  0.00           C
ATOM     94  CE1 TYR A   7       9.268  -0.825 -15.722  1.00  0.00           C
ATOM     95  CE2 TYR A   7      10.210   1.322 -15.336  1.00  0.00           C
ATOM     96  CZ  TYR A   7      10.382  -0.024 -15.574  1.00  0.00           C
ATOM     97  OH  TYR A   7      11.657  -0.552 -15.640  1.00  0.00           O
ATOM      0  H   TYR A   7       3.898   2.323 -15.638  1.00  0.00           H   new
ATOM      0  HA  TYR A   7       6.445   2.857 -17.051  1.00  0.00           H   new
ATOM      0  HB2 TYR A   7       6.443   2.531 -14.598  1.00  0.00           H   new
ATOM      0  HB3 TYR A   7       5.760   0.929 -14.794  1.00  0.00           H   new
ATOM      0  HD1 TYR A   7       7.135  -0.918 -15.746  1.00  0.00           H   new
ATOM      0  HD2 TYR A   7       8.839   2.938 -15.052  1.00  0.00           H   new
ATOM      0  HE1 TYR A   7       9.387  -1.881 -15.912  1.00  0.00           H   new
ATOM      0  HE2 TYR A   7      11.078   1.954 -15.223  1.00  0.00           H   new
ATOM      0  HH  TYR A   7      11.607  -1.497 -15.895  1.00  0.00           H   new
ATOM    107  N   LYS A   8       6.563   0.554 -18.285  1.00  0.00           N
ATOM    108  CA  LYS A   8       6.452  -0.674 -19.116  1.00  0.00           C
ATOM    109  C   LYS A   8       7.858  -1.229 -19.196  1.00  0.00           C
ATOM    110  O   LYS A   8       8.815  -0.488 -19.111  1.00  0.00           O
ATOM    111  CB  LYS A   8       5.877  -0.291 -20.517  1.00  0.00           C
ATOM    112  CG  LYS A   8       4.502   0.403 -20.246  1.00  0.00           C
ATOM    113  CD  LYS A   8       3.592   0.599 -21.467  1.00  0.00           C
ATOM    114  CE  LYS A   8       4.308   1.385 -22.560  1.00  0.00           C
ATOM    115  NZ  LYS A   8       3.298   1.925 -23.525  1.00  0.00           N
ATOM      0  H   LYS A   8       7.401   1.115 -18.438  1.00  0.00           H   new
ATOM      0  HA  LYS A   8       5.777  -1.422 -18.701  1.00  0.00           H   new
ATOM      0  HB2 LYS A   8       6.554   0.379 -21.046  1.00  0.00           H   new
ATOM      0  HB3 LYS A   8       5.751  -1.175 -21.142  1.00  0.00           H   new
ATOM      0  HG2 LYS A   8       3.961  -0.186 -19.506  1.00  0.00           H   new
ATOM      0  HG3 LYS A   8       4.692   1.379 -19.800  1.00  0.00           H   new
ATOM      0  HD2 LYS A   8       3.283  -0.372 -21.855  1.00  0.00           H   new
ATOM      0  HD3 LYS A   8       2.686   1.126 -21.169  1.00  0.00           H   new
ATOM      0  HE2 LYS A   8       4.881   2.202 -22.121  1.00  0.00           H   new
ATOM      0  HE3 LYS A   8       5.018   0.742 -23.081  1.00  0.00           H   new
ATOM      0  HZ1 LYS A   8       3.784   2.462 -24.272  1.00  0.00           H   new
ATOM      0  HZ2 LYS A   8       2.770   1.137 -23.952  1.00  0.00           H   new
ATOM      0  HZ3 LYS A   8       2.638   2.552 -23.022  1.00  0.00           H   new
ATOM    129  N   GLY A   9       7.919  -2.515 -19.354  1.00  0.00           N
ATOM    130  CA  GLY A   9       9.227  -3.209 -19.449  1.00  0.00           C
ATOM    131  C   GLY A   9       9.410  -4.004 -18.155  1.00  0.00           C
ATOM    132  O   GLY A   9       8.591  -3.896 -17.254  1.00  0.00           O
ATOM      0  H   GLY A   9       7.105  -3.126 -19.423  1.00  0.00           H   new
ATOM      0  HA2 GLY A   9       9.250  -3.871 -20.314  1.00  0.00           H   new
ATOM      0  HA3 GLY A   9      10.036  -2.490 -19.577  1.00  0.00           H   new
ATOM    136  N   PRO A  10      10.464  -4.775 -18.098  1.00  0.00           N
ATOM    137  CA  PRO A  10      10.922  -5.399 -16.831  1.00  0.00           C
ATOM    138  C   PRO A  10      11.696  -4.383 -15.960  1.00  0.00           C
ATOM    139  O   PRO A  10      12.336  -3.494 -16.480  1.00  0.00           O
ATOM    140  CB  PRO A  10      11.778  -6.587 -17.288  1.00  0.00           C
ATOM    141  CG  PRO A  10      12.126  -6.357 -18.790  1.00  0.00           C
ATOM    142  CD  PRO A  10      11.311  -5.139 -19.268  1.00  0.00           C
ATOM      0  HA  PRO A  10      10.104  -5.729 -16.190  1.00  0.00           H   new
ATOM      0  HB2 PRO A  10      12.686  -6.659 -16.690  1.00  0.00           H   new
ATOM      0  HB3 PRO A  10      11.236  -7.524 -17.158  1.00  0.00           H   new
ATOM      0  HG2 PRO A  10      13.194  -6.177 -18.914  1.00  0.00           H   new
ATOM      0  HG3 PRO A  10      11.881  -7.239 -19.381  1.00  0.00           H   new
ATOM      0  HD2 PRO A  10      11.962  -4.315 -19.558  1.00  0.00           H   new
ATOM      0  HD3 PRO A  10      10.702  -5.385 -20.138  1.00  0.00           H   new
ATOM    150  N   CYS A  11      11.620  -4.540 -14.664  1.00  0.00           N
ATOM    151  CA  CYS A  11      12.348  -3.591 -13.759  1.00  0.00           C
ATOM    152  C   CYS A  11      13.550  -4.383 -13.266  1.00  0.00           C
ATOM    153  O   CYS A  11      13.432  -5.130 -12.319  1.00  0.00           O
ATOM    154  CB  CYS A  11      11.442  -3.187 -12.565  1.00  0.00           C
ATOM    155  SG  CYS A  11      12.282  -2.317 -11.216  1.00  0.00           S
ATOM      0  H   CYS A  11      11.092  -5.275 -14.193  1.00  0.00           H   new
ATOM      0  HA  CYS A  11      12.636  -2.669 -14.265  1.00  0.00           H   new
ATOM      0  HB2 CYS A  11      10.638  -2.553 -12.939  1.00  0.00           H   new
ATOM      0  HB3 CYS A  11      10.978  -4.087 -12.162  1.00  0.00           H   new
ATOM    160  N   ALA A  12      14.689  -4.238 -13.883  1.00  0.00           N
ATOM    161  CA  ALA A  12      15.857  -5.037 -13.387  1.00  0.00           C
ATOM    162  C   ALA A  12      16.658  -4.159 -12.406  1.00  0.00           C
ATOM    163  O   ALA A  12      16.278  -3.041 -12.122  1.00  0.00           O
ATOM    164  CB  ALA A  12      16.698  -5.425 -14.575  1.00  0.00           C
ATOM      0  H   ALA A  12      14.865  -3.627 -14.680  1.00  0.00           H   new
ATOM      0  HA  ALA A  12      15.537  -5.942 -12.870  1.00  0.00           H   new
ATOM      0  HB1 ALA A  12      17.555  -6.008 -14.239  1.00  0.00           H   new
ATOM      0  HB2 ALA A  12      16.101  -6.022 -15.264  1.00  0.00           H   new
ATOM      0  HB3 ALA A  12      17.047  -4.526 -15.083  1.00  0.00           H   new
ATOM    170  N   VAL A  13      17.751  -4.659 -11.890  1.00  0.00           N
ATOM    171  CA  VAL A  13      18.592  -3.886 -10.942  1.00  0.00           C
ATOM    172  C   VAL A  13      18.812  -2.407 -11.313  1.00  0.00           C
ATOM    173  O   VAL A  13      19.088  -1.602 -10.447  1.00  0.00           O
ATOM    174  CB  VAL A  13      19.937  -4.632 -10.841  1.00  0.00           C
ATOM    175  CG1 VAL A  13      19.791  -6.005 -10.236  1.00  0.00           C
ATOM    176  CG2 VAL A  13      20.612  -4.690 -12.190  1.00  0.00           C
ATOM      0  H   VAL A  13      18.100  -5.595 -12.095  1.00  0.00           H   new
ATOM      0  HA  VAL A  13      18.066  -3.834  -9.989  1.00  0.00           H   new
ATOM      0  HB  VAL A  13      20.573  -4.065 -10.161  1.00  0.00           H   new
ATOM      0 HG11 VAL A  13      20.767  -6.487 -10.188  1.00  0.00           H   new
ATOM      0 HG12 VAL A  13      19.379  -5.918  -9.230  1.00  0.00           H   new
ATOM      0 HG13 VAL A  13      19.120  -6.604 -10.852  1.00  0.00           H   new
ATOM      0 HG21 VAL A  13      21.560  -5.220 -12.100  1.00  0.00           H   new
ATOM      0 HG22 VAL A  13      19.969  -5.214 -12.896  1.00  0.00           H   new
ATOM      0 HG23 VAL A  13      20.795  -3.677 -12.549  1.00  0.00           H   new
ATOM    186  N   TRP A  14      18.686  -2.089 -12.576  1.00  0.00           N
ATOM    187  CA  TRP A  14      18.892  -0.688 -13.072  1.00  0.00           C
ATOM    188  C   TRP A  14      17.602   0.095 -13.361  1.00  0.00           C
ATOM    189  O   TRP A  14      17.666   1.159 -13.936  1.00  0.00           O
ATOM    190  CB  TRP A  14      19.754  -0.819 -14.335  1.00  0.00           C
ATOM    191  CG  TRP A  14      18.966  -1.694 -15.317  1.00  0.00           C
ATOM    192  CD1 TRP A  14      17.785  -1.355 -15.903  1.00  0.00           C
ATOM    193  CD2 TRP A  14      19.311  -2.930 -15.737  1.00  0.00           C
ATOM    194  NE1 TRP A  14      17.484  -2.387 -16.630  1.00  0.00           N
ATOM    195  CE2 TRP A  14      18.330  -3.399 -16.617  1.00  0.00           C
ATOM    196  CE3 TRP A  14      20.420  -3.707 -15.414  1.00  0.00           C
ATOM    197  CZ2 TRP A  14      18.471  -4.663 -17.179  1.00  0.00           C
ATOM    198  CZ3 TRP A  14      20.557  -4.976 -15.981  1.00  0.00           C
ATOM    199  CH2 TRP A  14      19.577  -5.446 -16.861  1.00  0.00           C
ATOM      0  H   TRP A  14      18.442  -2.758 -13.306  1.00  0.00           H   new
ATOM      0  HA  TRP A  14      19.370  -0.101 -12.288  1.00  0.00           H   new
ATOM      0  HB2 TRP A  14      19.958   0.160 -14.767  1.00  0.00           H   new
ATOM      0  HB3 TRP A  14      20.718  -1.271 -14.101  1.00  0.00           H   new
ATOM      0  HD1 TRP A  14      17.227  -0.438 -15.789  1.00  0.00           H   new
ATOM      0  HE1 TRP A  14      16.630  -2.414 -17.187  1.00  0.00           H   new
ATOM      0  HE3 TRP A  14      21.168  -3.332 -14.731  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  14      17.723  -5.037 -17.862  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  14      21.413  -5.589 -15.742  1.00  0.00           H   new
ATOM      0  HH2 TRP A  14      19.680  -6.428 -17.299  1.00  0.00           H   new
ATOM    210  N   ASP A  15      16.478  -0.440 -12.972  1.00  0.00           N
ATOM    211  CA  ASP A  15      15.163   0.247 -13.203  1.00  0.00           C
ATOM    212  C   ASP A  15      14.426   0.617 -11.908  1.00  0.00           C
ATOM    213  O   ASP A  15      13.514   1.415 -11.898  1.00  0.00           O
ATOM    214  CB  ASP A  15      14.264  -0.668 -14.036  1.00  0.00           C
ATOM    215  CG  ASP A  15      14.686  -0.777 -15.502  1.00  0.00           C
ATOM    216  OD1 ASP A  15      14.768   0.252 -16.155  1.00  0.00           O
ATOM    217  OD2 ASP A  15      14.912  -1.916 -15.883  1.00  0.00           O
ATOM      0  H   ASP A  15      16.408  -1.339 -12.495  1.00  0.00           H   new
ATOM      0  HA  ASP A  15      15.383   1.180 -13.722  1.00  0.00           H   new
ATOM      0  HB2 ASP A  15      14.264  -1.664 -13.592  1.00  0.00           H   new
ATOM      0  HB3 ASP A  15      13.240  -0.297 -13.989  1.00  0.00           H   new
ATOM    222  N   ASN A  16      14.801   0.035 -10.805  1.00  0.00           N
ATOM    223  CA  ASN A  16      14.085   0.382  -9.534  1.00  0.00           C
ATOM    224  C   ASN A  16      13.853   1.890  -9.342  1.00  0.00           C
ATOM    225  O   ASN A  16      12.743   2.356  -9.162  1.00  0.00           O
ATOM    226  CB  ASN A  16      14.900  -0.246  -8.395  1.00  0.00           C
ATOM    227  CG  ASN A  16      16.369   0.128  -8.374  1.00  0.00           C
ATOM    228  OD1 ASN A  16      16.740   1.126  -7.795  1.00  0.00           O
ATOM    229  ND2 ASN A  16      17.240  -0.622  -8.986  1.00  0.00           N
ATOM      0  H   ASN A  16      15.552  -0.650 -10.721  1.00  0.00           H   new
ATOM      0  HA  ASN A  16      13.072  -0.020  -9.557  1.00  0.00           H   new
ATOM      0  HB2 ASN A  16      14.453   0.046  -7.445  1.00  0.00           H   new
ATOM      0  HB3 ASN A  16      14.818  -1.331  -8.465  1.00  0.00           H   new
ATOM      0 HD21 ASN A  16      18.228  -0.368  -8.976  1.00  0.00           H   new
ATOM      0 HD22 ASN A  16      16.934  -1.463  -9.475  1.00  0.00           H   new
ATOM    236  N   GLU A  17      14.910   2.642  -9.372  1.00  0.00           N
ATOM    237  CA  GLU A  17      14.770   4.131  -9.202  1.00  0.00           C
ATOM    238  C   GLU A  17      13.796   4.667 -10.267  1.00  0.00           C
ATOM    239  O   GLU A  17      13.070   5.622 -10.034  1.00  0.00           O
ATOM    240  CB  GLU A  17      16.154   4.777  -9.358  1.00  0.00           C
ATOM    241  CG  GLU A  17      16.159   6.214  -8.753  1.00  0.00           C
ATOM    242  CD  GLU A  17      17.580   6.513  -8.265  1.00  0.00           C
ATOM    243  OE1 GLU A  17      18.360   6.925  -9.092  1.00  0.00           O
ATOM    244  OE2 GLU A  17      17.817   6.307  -7.095  1.00  0.00           O
ATOM      0  H   GLU A  17      15.864   2.305  -9.505  1.00  0.00           H   new
ATOM      0  HA  GLU A  17      14.376   4.371  -8.215  1.00  0.00           H   new
ATOM      0  HB2 GLU A  17      16.906   4.164  -8.860  1.00  0.00           H   new
ATOM      0  HB3 GLU A  17      16.425   4.820 -10.413  1.00  0.00           H   new
ATOM      0  HG2 GLU A  17      15.851   6.944  -9.501  1.00  0.00           H   new
ATOM      0  HG3 GLU A  17      15.450   6.284  -7.928  1.00  0.00           H   new
ATOM    251  N   THR A  18      13.798   4.045 -11.416  1.00  0.00           N
ATOM    252  CA  THR A  18      12.884   4.495 -12.503  1.00  0.00           C
ATOM    253  C   THR A  18      11.480   4.431 -11.880  1.00  0.00           C
ATOM    254  O   THR A  18      10.730   5.385 -11.974  1.00  0.00           O
ATOM    255  CB  THR A  18      13.106   3.526 -13.691  1.00  0.00           C
ATOM    256  OG1 THR A  18      14.509   3.520 -13.903  1.00  0.00           O
ATOM    257  CG2 THR A  18      12.570   4.055 -14.993  1.00  0.00           C
ATOM      0  H   THR A  18      14.391   3.248 -11.647  1.00  0.00           H   new
ATOM      0  HA  THR A  18      13.047   5.503 -12.886  1.00  0.00           H   new
ATOM      0  HB  THR A  18      12.629   2.576 -13.449  1.00  0.00           H   new
ATOM      0  HG1 THR A  18      14.711   3.051 -14.740  1.00  0.00           H   new
ATOM      0 HG21 THR A  18      12.757   3.330 -15.785  1.00  0.00           H   new
ATOM      0 HG22 THR A  18      11.497   4.225 -14.903  1.00  0.00           H   new
ATOM      0 HG23 THR A  18      13.067   4.994 -15.236  1.00  0.00           H   new
ATOM    265  N   CYS A  19      11.141   3.340 -11.248  1.00  0.00           N
ATOM    266  CA  CYS A  19       9.768   3.310 -10.645  1.00  0.00           C
ATOM    267  C   CYS A  19       9.717   4.513  -9.669  1.00  0.00           C
ATOM    268  O   CYS A  19       8.825   5.305  -9.818  1.00  0.00           O
ATOM    269  CB  CYS A  19       9.552   1.950  -9.940  1.00  0.00           C
ATOM    270  SG  CYS A  19       7.871   1.269  -9.915  1.00  0.00           S
ATOM      0  H   CYS A  19      11.716   2.507 -11.124  1.00  0.00           H   new
ATOM      0  HA  CYS A  19       8.968   3.399 -11.380  1.00  0.00           H   new
ATOM      0  HB2 CYS A  19      10.203   1.218 -10.418  1.00  0.00           H   new
ATOM      0  HB3 CYS A  19       9.888   2.050  -8.908  1.00  0.00           H   new
ATOM    275  N   ARG A  20      10.613   4.661  -8.711  1.00  0.00           N
ATOM    276  CA  ARG A  20      10.555   5.855  -7.774  1.00  0.00           C
ATOM    277  C   ARG A  20      10.042   7.125  -8.518  1.00  0.00           C
ATOM    278  O   ARG A  20       9.036   7.708  -8.160  1.00  0.00           O
ATOM    279  CB  ARG A  20      11.999   6.126  -7.153  1.00  0.00           C
ATOM    280  CG  ARG A  20      12.264   5.184  -5.912  1.00  0.00           C
ATOM    281  CD  ARG A  20      13.733   5.331  -5.356  1.00  0.00           C
ATOM    282  NE  ARG A  20      14.513   4.067  -5.608  1.00  0.00           N
ATOM    283  CZ  ARG A  20      15.817   4.051  -5.757  1.00  0.00           C
ATOM    284  NH1 ARG A  20      16.514   5.096  -5.470  1.00  0.00           N
ATOM    285  NH2 ARG A  20      16.378   2.964  -6.195  1.00  0.00           N
ATOM      0  H   ARG A  20      11.380   4.013  -8.533  1.00  0.00           H   new
ATOM      0  HA  ARG A  20       9.854   5.629  -6.970  1.00  0.00           H   new
ATOM      0  HB2 ARG A  20      12.763   5.958  -7.912  1.00  0.00           H   new
ATOM      0  HB3 ARG A  20      12.078   7.169  -6.847  1.00  0.00           H   new
ATOM      0  HG2 ARG A  20      11.552   5.420  -5.121  1.00  0.00           H   new
ATOM      0  HG3 ARG A  20      12.088   4.148  -6.200  1.00  0.00           H   new
ATOM      0  HD2 ARG A  20      14.229   6.175  -5.836  1.00  0.00           H   new
ATOM      0  HD3 ARG A  20      13.706   5.543  -4.287  1.00  0.00           H   new
ATOM      0  HE  ARG A  20      14.005   3.184  -5.665  1.00  0.00           H   new
ATOM      0 HH11 ARG A  20      16.053   5.938  -5.126  1.00  0.00           H   new
ATOM      0 HH12 ARG A  20      17.527   5.081  -5.587  1.00  0.00           H   new
ATOM      0 HH21 ARG A  20      15.807   2.148  -6.415  1.00  0.00           H   new
ATOM      0 HH22 ARG A  20      17.390   2.927  -6.319  1.00  0.00           H   new
ATOM    299  N   ARG A  21      10.766   7.481  -9.547  1.00  0.00           N
ATOM    300  CA  ARG A  21      10.389   8.686 -10.358  1.00  0.00           C
ATOM    301  C   ARG A  21       9.018   8.549 -11.021  1.00  0.00           C
ATOM    302  O   ARG A  21       8.219   9.462 -10.936  1.00  0.00           O
ATOM    303  CB  ARG A  21      11.464   8.916 -11.440  1.00  0.00           C
ATOM    304  CG  ARG A  21      12.847   8.978 -10.743  1.00  0.00           C
ATOM    305  CD  ARG A  21      13.872   9.778 -11.560  1.00  0.00           C
ATOM    306  NE  ARG A  21      14.093   9.133 -12.904  1.00  0.00           N
ATOM    307  CZ  ARG A  21      14.386   9.853 -13.958  1.00  0.00           C
ATOM    308  NH1 ARG A  21      14.714  11.104 -13.796  1.00  0.00           N
ATOM    309  NH2 ARG A  21      14.338   9.292 -15.130  1.00  0.00           N
ATOM      0  H   ARG A  21      11.603   6.992  -9.864  1.00  0.00           H   new
ATOM      0  HA  ARG A  21      10.330   9.536  -9.678  1.00  0.00           H   new
ATOM      0  HB2 ARG A  21      11.444   8.110 -12.173  1.00  0.00           H   new
ATOM      0  HB3 ARG A  21      11.268   9.843 -11.979  1.00  0.00           H   new
ATOM      0  HG2 ARG A  21      12.736   9.432  -9.758  1.00  0.00           H   new
ATOM      0  HG3 ARG A  21      13.219   7.965 -10.587  1.00  0.00           H   new
ATOM      0  HD2 ARG A  21      13.521  10.801 -11.694  1.00  0.00           H   new
ATOM      0  HD3 ARG A  21      14.815   9.834 -11.017  1.00  0.00           H   new
ATOM      0  HE  ARG A  21      14.013   8.120 -12.994  1.00  0.00           H   new
ATOM      0 HH11 ARG A  21      14.739  11.507 -12.860  1.00  0.00           H   new
ATOM      0 HH12 ARG A  21      14.945  11.680 -14.606  1.00  0.00           H   new
ATOM      0 HH21 ARG A  21      14.076   8.310 -15.215  1.00  0.00           H   new
ATOM      0 HH22 ARG A  21      14.562   9.834 -15.964  1.00  0.00           H   new
ATOM    323  N   VAL A  22       8.756   7.436 -11.652  1.00  0.00           N
ATOM    324  CA  VAL A  22       7.407   7.308 -12.312  1.00  0.00           C
ATOM    325  C   VAL A  22       6.306   7.359 -11.247  1.00  0.00           C
ATOM    326  O   VAL A  22       5.361   8.123 -11.306  1.00  0.00           O
ATOM    327  CB  VAL A  22       7.352   5.959 -13.112  1.00  0.00           C
ATOM    328  CG1 VAL A  22       6.089   5.767 -13.919  1.00  0.00           C
ATOM    329  CG2 VAL A  22       8.494   5.952 -14.090  1.00  0.00           C
ATOM      0  H   VAL A  22       9.382   6.636 -11.743  1.00  0.00           H   new
ATOM      0  HA  VAL A  22       7.249   8.134 -13.006  1.00  0.00           H   new
ATOM      0  HB  VAL A  22       7.397   5.160 -12.372  1.00  0.00           H   new
ATOM      0 HG11 VAL A  22       6.132   4.811 -14.441  1.00  0.00           H   new
ATOM      0 HG12 VAL A  22       5.226   5.778 -13.253  1.00  0.00           H   new
ATOM      0 HG13 VAL A  22       5.996   6.573 -14.647  1.00  0.00           H   new
ATOM      0 HG21 VAL A  22       8.479   5.023 -14.660  1.00  0.00           H   new
ATOM      0 HG22 VAL A  22       8.395   6.797 -14.771  1.00  0.00           H   new
ATOM      0 HG23 VAL A  22       9.437   6.030 -13.549  1.00  0.00           H   new
ATOM    339  N   CYS A  23       6.463   6.548 -10.254  1.00  0.00           N
ATOM    340  CA  CYS A  23       5.424   6.545  -9.192  1.00  0.00           C
ATOM    341  C   CYS A  23       5.323   7.948  -8.583  1.00  0.00           C
ATOM    342  O   CYS A  23       4.266   8.431  -8.216  1.00  0.00           O
ATOM    343  CB  CYS A  23       5.853   5.499  -8.215  1.00  0.00           C
ATOM    344  SG  CYS A  23       4.773   5.255  -6.789  1.00  0.00           S
ATOM      0  H   CYS A  23       7.241   5.901 -10.126  1.00  0.00           H   new
ATOM      0  HA  CYS A  23       4.424   6.309  -9.557  1.00  0.00           H   new
ATOM      0  HB2 CYS A  23       5.942   4.550  -8.745  1.00  0.00           H   new
ATOM      0  HB3 CYS A  23       6.848   5.756  -7.852  1.00  0.00           H   new
ATOM    349  N   LYS A  24       6.459   8.589  -8.501  1.00  0.00           N
ATOM    350  CA  LYS A  24       6.425   9.967  -7.921  1.00  0.00           C
ATOM    351  C   LYS A  24       5.804  10.918  -8.972  1.00  0.00           C
ATOM    352  O   LYS A  24       5.306  11.957  -8.586  1.00  0.00           O
ATOM    353  CB  LYS A  24       7.865  10.498  -7.576  1.00  0.00           C
ATOM    354  CG  LYS A  24       7.684  11.806  -6.708  1.00  0.00           C
ATOM    355  CD  LYS A  24       8.829  12.858  -6.868  1.00  0.00           C
ATOM    356  CE  LYS A  24      10.070  12.445  -6.067  1.00  0.00           C
ATOM    357  NZ  LYS A  24      11.064  13.577  -6.048  1.00  0.00           N
ATOM      0  H   LYS A  24       7.371   8.240  -8.795  1.00  0.00           H   new
ATOM      0  HA  LYS A  24       5.842   9.934  -7.001  1.00  0.00           H   new
ATOM      0  HB2 LYS A  24       8.431   9.746  -7.026  1.00  0.00           H   new
ATOM      0  HB3 LYS A  24       8.424  10.714  -8.486  1.00  0.00           H   new
ATOM      0  HG2 LYS A  24       6.737  12.275  -6.976  1.00  0.00           H   new
ATOM      0  HG3 LYS A  24       7.613  11.522  -5.658  1.00  0.00           H   new
ATOM      0  HD2 LYS A  24       9.089  12.960  -7.922  1.00  0.00           H   new
ATOM      0  HD3 LYS A  24       8.481  13.834  -6.529  1.00  0.00           H   new
ATOM      0  HE2 LYS A  24       9.786  12.181  -5.048  1.00  0.00           H   new
ATOM      0  HE3 LYS A  24      10.523  11.559  -6.511  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  24      11.904  13.293  -5.504  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  24      11.345  13.809  -7.022  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  24      10.631  14.412  -5.605  1.00  0.00           H   new
ATOM    371  N   GLU A  25       5.836  10.581 -10.244  1.00  0.00           N
ATOM    372  CA  GLU A  25       5.230  11.533 -11.222  1.00  0.00           C
ATOM    373  C   GLU A  25       3.719  11.407 -11.168  1.00  0.00           C
ATOM    374  O   GLU A  25       3.039  12.410 -11.163  1.00  0.00           O
ATOM    375  CB  GLU A  25       5.795  11.242 -12.676  1.00  0.00           C
ATOM    376  CG  GLU A  25       5.231   9.992 -13.443  1.00  0.00           C
ATOM    377  CD  GLU A  25       4.377  10.416 -14.608  1.00  0.00           C
ATOM    378  OE1 GLU A  25       3.419  11.117 -14.323  1.00  0.00           O
ATOM    379  OE2 GLU A  25       4.699  10.019 -15.722  1.00  0.00           O
ATOM      0  H   GLU A  25       6.237   9.727 -10.630  1.00  0.00           H   new
ATOM      0  HA  GLU A  25       5.496  12.559 -10.966  1.00  0.00           H   new
ATOM      0  HB2 GLU A  25       5.610  12.123 -13.290  1.00  0.00           H   new
ATOM      0  HB3 GLU A  25       6.876  11.128 -12.599  1.00  0.00           H   new
ATOM      0  HG2 GLU A  25       6.057   9.375 -13.798  1.00  0.00           H   new
ATOM      0  HG3 GLU A  25       4.644   9.377 -12.761  1.00  0.00           H   new
ATOM    386  N   GLU A  26       3.244  10.187 -11.136  1.00  0.00           N
ATOM    387  CA  GLU A  26       1.771   9.928 -11.071  1.00  0.00           C
ATOM    388  C   GLU A  26       1.249  10.841  -9.940  1.00  0.00           C
ATOM    389  O   GLU A  26       0.329  11.629 -10.039  1.00  0.00           O
ATOM    390  CB  GLU A  26       1.593   8.442 -10.749  1.00  0.00           C
ATOM    391  CG  GLU A  26       0.408   7.846 -11.515  1.00  0.00           C
ATOM    392  CD  GLU A  26      -0.974   8.455 -11.135  1.00  0.00           C
ATOM    393  OE1 GLU A  26      -1.222   9.577 -11.538  1.00  0.00           O
ATOM    394  OE2 GLU A  26      -1.699   7.745 -10.456  1.00  0.00           O
ATOM      0  H   GLU A  26       3.822   9.347 -11.152  1.00  0.00           H   new
ATOM      0  HA  GLU A  26       1.228  10.140 -11.992  1.00  0.00           H   new
ATOM      0  HB2 GLU A  26       2.504   7.900 -11.005  1.00  0.00           H   new
ATOM      0  HB3 GLU A  26       1.437   8.316  -9.678  1.00  0.00           H   new
ATOM      0  HG2 GLU A  26       0.573   7.988 -12.583  1.00  0.00           H   new
ATOM      0  HG3 GLU A  26       0.379   6.771 -11.337  1.00  0.00           H   new
ATOM    401  N   GLY A  27       1.944  10.660  -8.848  1.00  0.00           N
ATOM    402  CA  GLY A  27       1.645  11.421  -7.609  1.00  0.00           C
ATOM    403  C   GLY A  27       1.439  10.452  -6.475  1.00  0.00           C
ATOM    404  O   GLY A  27       0.468  10.562  -5.755  1.00  0.00           O
ATOM      0  H   GLY A  27       2.720  10.003  -8.766  1.00  0.00           H   new
ATOM      0  HA2 GLY A  27       2.465  12.101  -7.378  1.00  0.00           H   new
ATOM      0  HA3 GLY A  27       0.753  12.032  -7.749  1.00  0.00           H   new
ATOM    408  N   ARG A  28       2.329   9.499  -6.355  1.00  0.00           N
ATOM    409  CA  ARG A  28       2.253   8.469  -5.262  1.00  0.00           C
ATOM    410  C   ARG A  28       3.416   8.744  -4.288  1.00  0.00           C
ATOM    411  O   ARG A  28       4.019   9.801  -4.349  1.00  0.00           O
ATOM    412  CB  ARG A  28       2.411   7.048  -5.869  1.00  0.00           C
ATOM    413  CG  ARG A  28       1.071   6.308  -5.944  1.00  0.00           C
ATOM    414  CD  ARG A  28       0.177   6.799  -7.096  1.00  0.00           C
ATOM    415  NE  ARG A  28      -0.340   8.145  -6.713  1.00  0.00           N
ATOM    416  CZ  ARG A  28      -1.426   8.295  -6.011  1.00  0.00           C
ATOM    417  NH1 ARG A  28      -1.977   7.252  -5.450  1.00  0.00           N
ATOM    418  NH2 ARG A  28      -1.900   9.502  -5.895  1.00  0.00           N
ATOM      0  H   ARG A  28       3.126   9.386  -6.982  1.00  0.00           H   new
ATOM      0  HA  ARG A  28       1.293   8.524  -4.748  1.00  0.00           H   new
ATOM      0  HB2 ARG A  28       2.840   7.125  -6.868  1.00  0.00           H   new
ATOM      0  HB3 ARG A  28       3.111   6.471  -5.265  1.00  0.00           H   new
ATOM      0  HG2 ARG A  28       1.258   5.241  -6.066  1.00  0.00           H   new
ATOM      0  HG3 ARG A  28       0.540   6.433  -5.000  1.00  0.00           H   new
ATOM      0  HD2 ARG A  28       0.744   6.855  -8.025  1.00  0.00           H   new
ATOM      0  HD3 ARG A  28      -0.646   6.105  -7.266  1.00  0.00           H   new
ATOM      0  HE  ARG A  28       0.174   8.974  -7.011  1.00  0.00           H   new
ATOM      0 HH11 ARG A  28      -1.556   6.330  -5.564  1.00  0.00           H   new
ATOM      0 HH12 ARG A  28      -2.828   7.360  -4.898  1.00  0.00           H   new
ATOM      0 HH21 ARG A  28      -1.422  10.283  -6.345  1.00  0.00           H   new
ATOM      0 HH22 ARG A  28      -2.749   9.667  -5.354  1.00  0.00           H   new
ATOM    432  N   SER A  29       3.718   7.811  -3.422  1.00  0.00           N
ATOM    433  CA  SER A  29       4.842   8.055  -2.472  1.00  0.00           C
ATOM    434  C   SER A  29       6.080   7.710  -3.281  1.00  0.00           C
ATOM    435  O   SER A  29       7.018   8.489  -3.312  1.00  0.00           O
ATOM    436  CB  SER A  29       4.705   7.141  -1.237  1.00  0.00           C
ATOM    437  OG  SER A  29       3.487   7.599  -0.657  1.00  0.00           O
ATOM      0  H   SER A  29       3.247   6.911  -3.332  1.00  0.00           H   new
ATOM      0  HA  SER A  29       4.870   9.075  -2.089  1.00  0.00           H   new
ATOM      0  HB2 SER A  29       4.653   6.088  -1.514  1.00  0.00           H   new
ATOM      0  HB3 SER A  29       5.548   7.250  -0.554  1.00  0.00           H   new
ATOM      0  HG  SER A  29       3.293   7.079   0.151  1.00  0.00           H   new
ATOM    443  N   SER A  30       6.068   6.575  -3.926  1.00  0.00           N
ATOM    444  CA  SER A  30       7.245   6.163  -4.749  1.00  0.00           C
ATOM    445  C   SER A  30       7.010   4.760  -5.201  1.00  0.00           C
ATOM    446  O   SER A  30       6.129   4.097  -4.710  1.00  0.00           O
ATOM    447  CB  SER A  30       8.546   6.150  -3.956  1.00  0.00           C
ATOM    448  OG  SER A  30       8.244   5.415  -2.775  1.00  0.00           O
ATOM      0  H   SER A  30       5.292   5.913  -3.919  1.00  0.00           H   new
ATOM      0  HA  SER A  30       7.342   6.878  -5.566  1.00  0.00           H   new
ATOM      0  HB2 SER A  30       9.349   5.678  -4.521  1.00  0.00           H   new
ATOM      0  HB3 SER A  30       8.875   7.162  -3.719  1.00  0.00           H   new
ATOM      0  HG  SER A  30       8.449   4.467  -2.918  1.00  0.00           H   new
ATOM    454  N   GLY A  31       7.819   4.307  -6.111  1.00  0.00           N
ATOM    455  CA  GLY A  31       7.625   2.930  -6.598  1.00  0.00           C
ATOM    456  C   GLY A  31       8.706   2.043  -6.041  1.00  0.00           C
ATOM    457  O   GLY A  31       9.810   2.469  -5.743  1.00  0.00           O
ATOM      0  H   GLY A  31       8.592   4.824  -6.530  1.00  0.00           H   new
ATOM      0  HA2 GLY A  31       6.645   2.561  -6.295  1.00  0.00           H   new
ATOM      0  HA3 GLY A  31       7.650   2.911  -7.688  1.00  0.00           H   new
ATOM    461  N   HIS A  32       8.345   0.808  -5.920  1.00  0.00           N
ATOM    462  CA  HIS A  32       9.273  -0.211  -5.387  1.00  0.00           C
ATOM    463  C   HIS A  32       9.356  -1.223  -6.504  1.00  0.00           C
ATOM    464  O   HIS A  32       8.383  -1.478  -7.190  1.00  0.00           O
ATOM    465  CB  HIS A  32       8.665  -0.755  -4.074  1.00  0.00           C
ATOM    466  CG  HIS A  32       8.840   0.391  -3.033  1.00  0.00           C
ATOM    467  ND1 HIS A  32       9.758   0.530  -1.981  1.00  0.00           N   flip
ATOM    468  CD2 HIS A  32       8.113   1.482  -2.992  1.00  0.00           C   flip
ATOM    469  CE1 HIS A  32       9.489   1.684  -1.421  1.00  0.00           C   flip
ATOM    470  NE2 HIS A  32       8.493   2.263  -2.027  1.00  0.00           N   flip
ATOM      0  H   HIS A  32       7.423   0.453  -6.174  1.00  0.00           H   new
ATOM      0  HA  HIS A  32      10.274   0.134  -5.127  1.00  0.00           H   new
ATOM      0  HB2 HIS A  32       7.613  -1.011  -4.204  1.00  0.00           H   new
ATOM      0  HB3 HIS A  32       9.176  -1.662  -3.750  1.00  0.00           H   new
ATOM      0  HD1 HIS A  32      10.485  -0.131  -1.708  1.00  0.00           H   new
ATOM      0  HD2 HIS A  32       7.304   1.702  -3.672  1.00  0.00           H   new
ATOM      0  HE1 HIS A  32      10.019   2.097  -0.575  1.00  0.00           H   new
ATOM    479  N   CYS A  33      10.521  -1.774  -6.671  1.00  0.00           N
ATOM    480  CA  CYS A  33      10.646  -2.771  -7.760  1.00  0.00           C
ATOM    481  C   CYS A  33      10.274  -4.094  -7.134  1.00  0.00           C
ATOM    482  O   CYS A  33       9.945  -4.146  -5.960  1.00  0.00           O
ATOM    483  CB  CYS A  33      12.091  -2.775  -8.250  1.00  0.00           C
ATOM    484  SG  CYS A  33      12.527  -3.689  -9.751  1.00  0.00           S
ATOM      0  H   CYS A  33      11.362  -1.587  -6.124  1.00  0.00           H   new
ATOM      0  HA  CYS A  33      10.008  -2.558  -8.618  1.00  0.00           H   new
ATOM      0  HB2 CYS A  33      12.385  -1.737  -8.404  1.00  0.00           H   new
ATOM      0  HB3 CYS A  33      12.708  -3.165  -7.441  1.00  0.00           H   new
ATOM    489  N   SER A  34      10.335  -5.107  -7.935  1.00  0.00           N
ATOM    490  CA  SER A  34       9.989  -6.462  -7.413  1.00  0.00           C
ATOM    491  C   SER A  34      11.296  -7.224  -7.149  1.00  0.00           C
ATOM    492  O   SER A  34      12.247  -7.016  -7.880  1.00  0.00           O
ATOM    493  CB  SER A  34       9.099  -7.164  -8.468  1.00  0.00           C
ATOM    494  OG  SER A  34       9.158  -8.562  -8.214  1.00  0.00           O
ATOM      0  H   SER A  34      10.605  -5.067  -8.918  1.00  0.00           H   new
ATOM      0  HA  SER A  34       9.435  -6.416  -6.476  1.00  0.00           H   new
ATOM      0  HB2 SER A  34       8.072  -6.805  -8.403  1.00  0.00           H   new
ATOM      0  HB3 SER A  34       9.451  -6.942  -9.475  1.00  0.00           H   new
ATOM      0  HG  SER A  34       8.602  -9.037  -8.866  1.00  0.00           H   new
ATOM    500  N   PRO A  35      11.301  -8.063  -6.126  1.00  0.00           N
ATOM    501  CA  PRO A  35      12.428  -8.978  -5.798  1.00  0.00           C
ATOM    502  C   PRO A  35      13.027  -9.583  -7.071  1.00  0.00           C
ATOM    503  O   PRO A  35      14.199  -9.892  -7.141  1.00  0.00           O
ATOM    504  CB  PRO A  35      11.840 -10.050  -4.870  1.00  0.00           C
ATOM    505  CG  PRO A  35      10.564  -9.418  -4.257  1.00  0.00           C
ATOM    506  CD  PRO A  35      10.166  -8.222  -5.172  1.00  0.00           C
ATOM      0  HA  PRO A  35      13.249  -8.454  -5.308  1.00  0.00           H   new
ATOM      0  HB2 PRO A  35      11.600 -10.958  -5.423  1.00  0.00           H   new
ATOM      0  HB3 PRO A  35      12.552 -10.328  -4.093  1.00  0.00           H   new
ATOM      0  HG2 PRO A  35       9.758 -10.150  -4.205  1.00  0.00           H   new
ATOM      0  HG3 PRO A  35      10.752  -9.079  -3.238  1.00  0.00           H   new
ATOM      0  HD2 PRO A  35       9.234  -8.423  -5.700  1.00  0.00           H   new
ATOM      0  HD3 PRO A  35      10.012  -7.314  -4.588  1.00  0.00           H   new
ATOM    514  N   SER A  36      12.149  -9.721  -8.028  1.00  0.00           N
ATOM    515  CA  SER A  36      12.541 -10.283  -9.335  1.00  0.00           C
ATOM    516  C   SER A  36      12.746  -9.119 -10.290  1.00  0.00           C
ATOM    517  O   SER A  36      13.881  -8.846 -10.628  1.00  0.00           O
ATOM    518  CB  SER A  36      11.414 -11.216  -9.840  1.00  0.00           C
ATOM    519  OG  SER A  36      11.434 -12.307  -8.928  1.00  0.00           O
ATOM      0  H   SER A  36      11.165  -9.462  -7.950  1.00  0.00           H   new
ATOM      0  HA  SER A  36      13.460 -10.865  -9.261  1.00  0.00           H   new
ATOM      0  HB2 SER A  36      10.448 -10.712  -9.838  1.00  0.00           H   new
ATOM      0  HB3 SER A  36      11.598 -11.547 -10.862  1.00  0.00           H   new
ATOM      0  HG  SER A  36      10.741 -12.954  -9.176  1.00  0.00           H   new
ATOM    525  N   LEU A  37      11.657  -8.478 -10.667  1.00  0.00           N
ATOM    526  CA  LEU A  37      11.730  -7.313 -11.618  1.00  0.00           C
ATOM    527  C   LEU A  37      10.378  -6.780 -12.179  1.00  0.00           C
ATOM    528  O   LEU A  37       9.927  -7.178 -13.237  1.00  0.00           O
ATOM    529  CB  LEU A  37      12.610  -7.670 -12.857  1.00  0.00           C
ATOM    530  CG  LEU A  37      12.217  -9.018 -13.561  1.00  0.00           C
ATOM    531  CD1 LEU A  37      12.181  -8.749 -15.044  1.00  0.00           C
ATOM    532  CD2 LEU A  37      13.273 -10.072 -13.358  1.00  0.00           C
ATOM      0  H   LEU A  37      10.715  -8.714 -10.354  1.00  0.00           H   new
ATOM      0  HA  LEU A  37      12.151  -6.524 -10.994  1.00  0.00           H   new
ATOM      0  HB2 LEU A  37      12.540  -6.860 -13.583  1.00  0.00           H   new
ATOM      0  HB3 LEU A  37      13.652  -7.728 -12.543  1.00  0.00           H   new
ATOM      0  HG  LEU A  37      11.268  -9.363 -13.151  1.00  0.00           H   new
ATOM      0 HD11 LEU A  37      11.911  -9.663 -15.573  1.00  0.00           H   new
ATOM      0 HD12 LEU A  37      11.443  -7.975 -15.256  1.00  0.00           H   new
ATOM      0 HD13 LEU A  37      13.163  -8.414 -15.377  1.00  0.00           H   new
ATOM      0 HD21 LEU A  37      12.970 -10.992 -13.858  1.00  0.00           H   new
ATOM      0 HD22 LEU A  37      14.218  -9.726 -13.777  1.00  0.00           H   new
ATOM      0 HD23 LEU A  37      13.397 -10.262 -12.292  1.00  0.00           H   new
ATOM    544  N   LYS A  38       9.762  -5.876 -11.457  1.00  0.00           N
ATOM    545  CA  LYS A  38       8.450  -5.288 -11.903  1.00  0.00           C
ATOM    546  C   LYS A  38       8.347  -3.882 -11.268  1.00  0.00           C
ATOM    547  O   LYS A  38       9.096  -3.615 -10.355  1.00  0.00           O
ATOM    548  CB  LYS A  38       7.337  -6.236 -11.422  1.00  0.00           C
ATOM    549  CG  LYS A  38       5.977  -5.811 -11.998  1.00  0.00           C
ATOM    550  CD  LYS A  38       4.934  -6.935 -11.762  1.00  0.00           C
ATOM    551  CE  LYS A  38       4.051  -7.026 -13.019  1.00  0.00           C
ATOM    552  NZ  LYS A  38       2.987  -8.064 -12.831  1.00  0.00           N
ATOM      0  H   LYS A  38      10.111  -5.514 -10.570  1.00  0.00           H   new
ATOM      0  HA  LYS A  38       8.363  -5.185 -12.985  1.00  0.00           H   new
ATOM      0  HB2 LYS A  38       7.564  -7.257 -11.728  1.00  0.00           H   new
ATOM      0  HB3 LYS A  38       7.294  -6.232 -10.333  1.00  0.00           H   new
ATOM      0  HG2 LYS A  38       5.644  -4.887 -11.525  1.00  0.00           H   new
ATOM      0  HG3 LYS A  38       6.071  -5.607 -13.065  1.00  0.00           H   new
ATOM      0  HD2 LYS A  38       5.433  -7.886 -11.575  1.00  0.00           H   new
ATOM      0  HD3 LYS A  38       4.327  -6.715 -10.884  1.00  0.00           H   new
ATOM      0  HE2 LYS A  38       3.593  -6.058 -13.221  1.00  0.00           H   new
ATOM      0  HE3 LYS A  38       4.664  -7.276 -13.885  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  38       2.635  -8.373 -13.760  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  38       3.384  -8.880 -12.323  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  38       2.202  -7.661 -12.280  1.00  0.00           H   new
ATOM    566  N   CYS A  39       7.440  -3.053 -11.717  1.00  0.00           N
ATOM    567  CA  CYS A  39       7.307  -1.659 -11.136  1.00  0.00           C
ATOM    568  C   CYS A  39       6.043  -1.362 -10.283  1.00  0.00           C
ATOM    569  O   CYS A  39       4.972  -1.117 -10.825  1.00  0.00           O
ATOM    570  CB  CYS A  39       7.341  -0.634 -12.292  1.00  0.00           C
ATOM    571  SG  CYS A  39       7.182   1.108 -11.811  1.00  0.00           S
ATOM      0  H   CYS A  39       6.779  -3.271 -12.462  1.00  0.00           H   new
ATOM      0  HA  CYS A  39       8.145  -1.582 -10.443  1.00  0.00           H   new
ATOM      0  HB2 CYS A  39       8.279  -0.757 -12.834  1.00  0.00           H   new
ATOM      0  HB3 CYS A  39       6.537  -0.874 -12.988  1.00  0.00           H   new
ATOM    576  N   TRP A  40       6.167  -1.378  -8.982  1.00  0.00           N
ATOM    577  CA  TRP A  40       5.016  -1.105  -8.130  1.00  0.00           C
ATOM    578  C   TRP A  40       5.097   0.305  -7.662  1.00  0.00           C
ATOM    579  O   TRP A  40       6.173   0.823  -7.492  1.00  0.00           O
ATOM    580  CB  TRP A  40       5.076  -1.970  -6.955  1.00  0.00           C
ATOM    581  CG  TRP A  40       4.687  -3.383  -7.312  1.00  0.00           C
ATOM    582  CD1 TRP A  40       5.412  -4.313  -7.998  1.00  0.00           C
ATOM    583  CD2 TRP A  40       3.491  -3.905  -6.973  1.00  0.00           C
ATOM    584  NE1 TRP A  40       4.589  -5.327  -8.024  1.00  0.00           N
ATOM    585  CE2 TRP A  40       3.416  -5.200  -7.447  1.00  0.00           C
ATOM    586  CE3 TRP A  40       2.439  -3.327  -6.270  1.00  0.00           C
ATOM    587  CZ2 TRP A  40       2.265  -5.940  -7.218  1.00  0.00           C
ATOM    588  CZ3 TRP A  40       1.281  -4.062  -6.039  1.00  0.00           C
ATOM    589  CH2 TRP A  40       1.199  -5.373  -6.518  1.00  0.00           C
ATOM      0  H   TRP A  40       7.036  -1.573  -8.485  1.00  0.00           H   new
ATOM      0  HA  TRP A  40       4.095  -1.280  -8.686  1.00  0.00           H   new
ATOM      0  HB2 TRP A  40       6.084  -1.959  -6.540  1.00  0.00           H   new
ATOM      0  HB3 TRP A  40       4.409  -1.588  -6.182  1.00  0.00           H   new
ATOM      0  HD1 TRP A  40       6.406  -4.232  -8.411  1.00  0.00           H   new
ATOM      0  HE1 TRP A  40       4.852  -6.199  -8.483  1.00  0.00           H   new
ATOM      0  HE3 TRP A  40       2.521  -2.314  -5.906  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  40       2.194  -6.955  -7.581  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  40       0.455  -3.626  -5.496  1.00  0.00           H   new
ATOM      0  HH2 TRP A  40       0.304  -5.952  -6.345  1.00  0.00           H   new
ATOM    600  N   CYS A  41       3.955   0.852  -7.441  1.00  0.00           N
ATOM    601  CA  CYS A  41       3.861   2.242  -6.967  1.00  0.00           C
ATOM    602  C   CYS A  41       3.242   2.068  -5.606  1.00  0.00           C
ATOM    603  O   CYS A  41       2.249   1.376  -5.456  1.00  0.00           O
ATOM    604  CB  CYS A  41       2.959   3.033  -7.876  1.00  0.00           C
ATOM    605  SG  CYS A  41       3.009   4.826  -7.674  1.00  0.00           S
ATOM      0  H   CYS A  41       3.058   0.384  -7.572  1.00  0.00           H   new
ATOM      0  HA  CYS A  41       4.810   2.778  -6.945  1.00  0.00           H   new
ATOM      0  HB2 CYS A  41       3.218   2.796  -8.908  1.00  0.00           H   new
ATOM      0  HB3 CYS A  41       1.934   2.698  -7.719  1.00  0.00           H   new
ATOM    610  N   GLU A  42       3.871   2.734  -4.687  1.00  0.00           N
ATOM    611  CA  GLU A  42       3.457   2.703  -3.273  1.00  0.00           C
ATOM    612  C   GLU A  42       2.709   3.998  -2.981  1.00  0.00           C
ATOM    613  O   GLU A  42       3.158   5.071  -3.348  1.00  0.00           O
ATOM    614  CB  GLU A  42       4.740   2.552  -2.379  1.00  0.00           C
ATOM    615  CG  GLU A  42       4.313   2.398  -0.863  1.00  0.00           C
ATOM    616  CD  GLU A  42       5.418   1.872   0.065  1.00  0.00           C
ATOM    617  OE1 GLU A  42       6.537   1.750  -0.401  1.00  0.00           O
ATOM    618  OE2 GLU A  42       5.063   1.621   1.206  1.00  0.00           O
ATOM      0  H   GLU A  42       4.686   3.319  -4.871  1.00  0.00           H   new
ATOM      0  HA  GLU A  42       2.798   1.862  -3.057  1.00  0.00           H   new
ATOM      0  HB2 GLU A  42       5.316   1.683  -2.695  1.00  0.00           H   new
ATOM      0  HB3 GLU A  42       5.385   3.423  -2.500  1.00  0.00           H   new
ATOM      0  HG2 GLU A  42       3.978   3.367  -0.494  1.00  0.00           H   new
ATOM      0  HG3 GLU A  42       3.459   1.723  -0.807  1.00  0.00           H   new
ATOM    625  N   GLY A  43       1.592   3.841  -2.322  1.00  0.00           N
ATOM    626  CA  GLY A  43       0.741   5.028  -1.968  1.00  0.00           C
ATOM    627  C   GLY A  43      -0.477   4.948  -2.896  1.00  0.00           C
ATOM    628  O   GLY A  43      -0.791   5.875  -3.615  1.00  0.00           O
ATOM      0  H   GLY A  43       1.226   2.941  -2.010  1.00  0.00           H   new
ATOM      0  HA2 GLY A  43       0.440   4.997  -0.921  1.00  0.00           H   new
ATOM      0  HA3 GLY A  43       1.286   5.960  -2.115  1.00  0.00           H   new
ATOM    632  N   CYS A  44      -1.141   3.827  -2.850  1.00  0.00           N
ATOM    633  CA  CYS A  44      -2.342   3.626  -3.720  1.00  0.00           C
ATOM    634  C   CYS A  44      -3.536   3.342  -2.799  1.00  0.00           C
ATOM    635  O   CYS A  44      -4.497   4.080  -2.936  1.00  0.00           O
ATOM    636  CB  CYS A  44      -2.054   2.433  -4.657  1.00  0.00           C
ATOM    637  SG  CYS A  44      -3.068   2.236  -6.144  1.00  0.00           S
ATOM    638  OXT CYS A  44      -3.401   2.402  -2.022  1.00  0.00           O
ATOM      0  H   CYS A  44      -0.906   3.038  -2.248  1.00  0.00           H   new
ATOM      0  HA  CYS A  44      -2.566   4.501  -4.331  1.00  0.00           H   new
ATOM      0  HB2 CYS A  44      -1.013   2.504  -4.973  1.00  0.00           H   new
ATOM      0  HB3 CYS A  44      -2.147   1.520  -4.069  1.00  0.00           H   new