USER  MOD reduce.3.24.130724 H: found=0, std=0, add=236, rem=0, adj=16
USER  MOD reduce.3.24.130724 removed 236 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  32 TYR OH  :   rot  165:sc=       0
USER  MOD Set 1.2: A  34 GLN     :      amide:sc=   0.762  K(o=0.76,f=-0.83)
USER  MOD Set 2.1: A  24 THR OG1 :   rot  -55:sc=     1.7
USER  MOD Set 2.2: A  26 GLN     :      amide:sc=   0.298  K(o=2,f=0.081)
USER  MOD Set 3.1: A   2 GLN     :FLIP  amide:sc=  -0.614  F(o=-2.9!,f=-1.5)
USER  MOD Set 3.2: A  13 TYR OH  :   rot -119:sc=  -0.888
USER  MOD Single : A   1 THR N   :NH3+    145:sc=   0.491   (180deg=0.13)
USER  MOD Single : A   1 THR OG1 :   rot  180:sc=   0.184
USER  MOD Single : A   3 SER OG  :   rot  180:sc=  0.0941
USER  MOD Single : A   4 HIS     :     no HD1:sc=   -0.76  K(o=-0.76,f=-1.3)
USER  MOD Single : A   5 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A   7 GLN     :FLIP  amide:sc=  -0.385  F(o=-0.98,f=-0.38)
USER  MOD Single : A  14 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  17 THR OG1 :   rot  180:sc=  0.0318
USER  MOD Single : A  21 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  23 THR OG1 :   rot  -54:sc=  -0.272!
USER  MOD Single : A  29 ASN     :FLIP  amide:sc= -0.0514  F(o=-1.2!,f=-0.051)
USER  MOD Single : A  31 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  33 SER OG  :   rot  165:sc=   -1.14
USER  MOD -----------------------------------------------------------------
ATOM      1  N   THR A   1       2.742  -4.458  -9.852  1.00  0.00           N
ATOM      2  CA  THR A   1       1.646  -3.784  -9.230  1.00  0.00           C
ATOM      3  C   THR A   1       1.273  -4.559  -7.960  1.00  0.00           C
ATOM      4  O   THR A   1       1.444  -5.779  -7.919  1.00  0.00           O
ATOM      5  CB  THR A   1       0.510  -3.739 -10.237  1.00  0.00           C
ATOM      6  OG1 THR A   1       1.105  -3.457 -11.521  1.00  0.00           O
ATOM      7  CG2 THR A   1      -0.431  -2.608  -9.900  1.00  0.00           C
ATOM      0  H1  THR A   1       2.653  -4.385 -10.886  1.00  0.00           H   new
ATOM      0  H2  THR A   1       3.636  -4.020  -9.550  1.00  0.00           H   new
ATOM      0  H3  THR A   1       2.736  -5.460  -9.574  1.00  0.00           H   new
ATOM      0  HA  THR A   1       1.888  -2.762  -8.938  1.00  0.00           H   new
ATOM      0  HB  THR A   1      -0.042  -4.679 -10.233  1.00  0.00           H   new
ATOM      0  HG1 THR A   1       0.404  -3.420 -12.205  1.00  0.00           H   new
ATOM      0 HG21 THR A   1      -1.243  -2.582 -10.626  1.00  0.00           H   new
ATOM      0 HG22 THR A   1      -0.842  -2.761  -8.902  1.00  0.00           H   new
ATOM      0 HG23 THR A   1       0.111  -1.663  -9.928  1.00  0.00           H   new
ATOM     17  N   GLN A   2       0.802  -3.875  -6.927  1.00  0.00           N
ATOM     18  CA  GLN A   2       0.589  -4.527  -5.652  1.00  0.00           C
ATOM     19  C   GLN A   2      -0.742  -5.286  -5.606  1.00  0.00           C
ATOM     20  O   GLN A   2      -1.727  -4.900  -6.251  1.00  0.00           O
ATOM     21  CB  GLN A   2       0.689  -3.527  -4.489  1.00  0.00           C
ATOM     22  CG  GLN A   2       0.842  -4.230  -3.151  1.00  0.00           C
ATOM     23  CD  GLN A   2       2.135  -5.033  -3.081  1.00  0.00           C
ATOM     24  OE1 GLN A   2       2.060  -6.221  -2.542  1.00  0.00           O   flip
ATOM     25  NE2 GLN A   2       3.160  -4.638  -3.623  1.00  0.00           N   flip
ATOM      0  H   GLN A   2       0.564  -2.883  -6.949  1.00  0.00           H   new
ATOM      0  HA  GLN A   2       1.385  -5.262  -5.538  1.00  0.00           H   new
ATOM      0  HB2 GLN A   2       1.540  -2.865  -4.651  1.00  0.00           H   new
ATOM      0  HB3 GLN A   2      -0.203  -2.901  -4.471  1.00  0.00           H   new
ATOM      0  HG2 GLN A   2       0.828  -3.492  -2.349  1.00  0.00           H   new
ATOM      0  HG3 GLN A   2      -0.008  -4.893  -2.989  1.00  0.00           H   new
ATOM      0 HE21 GLN A   2       3.192  -3.706  -4.036  1.00  0.00           H   new
ATOM      0 HE22 GLN A   2       3.982  -5.241  -3.661  1.00  0.00           H   new
ATOM     34  N   SER A   3      -0.735  -6.373  -4.867  1.00  0.00           N
ATOM     35  CA  SER A   3      -1.865  -7.222  -4.660  1.00  0.00           C
ATOM     36  C   SER A   3      -2.694  -6.749  -3.440  1.00  0.00           C
ATOM     37  O   SER A   3      -2.324  -5.777  -2.748  1.00  0.00           O
ATOM     38  CB  SER A   3      -1.328  -8.629  -4.456  1.00  0.00           C
ATOM     39  OG  SER A   3      -0.270  -8.608  -3.494  1.00  0.00           O
ATOM      0  H   SER A   3       0.100  -6.695  -4.377  1.00  0.00           H   new
ATOM      0  HA  SER A   3      -2.537  -7.193  -5.517  1.00  0.00           H   new
ATOM      0  HB2 SER A   3      -2.127  -9.288  -4.117  1.00  0.00           H   new
ATOM      0  HB3 SER A   3      -0.964  -9.030  -5.402  1.00  0.00           H   new
ATOM      0  HG  SER A   3       0.072  -9.517  -3.364  1.00  0.00           H   new
ATOM     45  N   HIS A   4      -3.800  -7.433  -3.169  1.00  0.00           N
ATOM     46  CA  HIS A   4      -4.692  -7.067  -2.082  1.00  0.00           C
ATOM     47  C   HIS A   4      -4.011  -7.414  -0.749  1.00  0.00           C
ATOM     48  O   HIS A   4      -3.411  -8.481  -0.620  1.00  0.00           O
ATOM     49  CB  HIS A   4      -6.023  -7.830  -2.237  1.00  0.00           C
ATOM     50  CG  HIS A   4      -7.184  -7.302  -1.430  1.00  0.00           C
ATOM     51  ND1 HIS A   4      -8.456  -7.798  -1.550  1.00  0.00           N
ATOM     52  CD2 HIS A   4      -7.272  -6.282  -0.546  1.00  0.00           C
ATOM     53  CE1 HIS A   4      -9.270  -7.109  -0.785  1.00  0.00           C
ATOM     54  NE2 HIS A   4      -8.574  -6.181  -0.163  1.00  0.00           N
ATOM      0  H   HIS A   4      -4.100  -8.253  -3.696  1.00  0.00           H   new
ATOM      0  HA  HIS A   4      -4.905  -5.998  -2.103  1.00  0.00           H   new
ATOM      0  HB2 HIS A   4      -6.304  -7.821  -3.290  1.00  0.00           H   new
ATOM      0  HB3 HIS A   4      -5.857  -8.871  -1.960  1.00  0.00           H   new
ATOM      0  HD2 HIS A   4      -6.457  -5.660  -0.206  1.00  0.00           H   new
ATOM      0  HE1 HIS A   4     -10.332  -7.275  -0.683  1.00  0.00           H   new
ATOM      0  HE2 HIS A   4      -8.948  -5.499   0.497  1.00  0.00           H   new
ATOM     63  N   TYR A   5      -4.058  -6.471   0.202  1.00  0.00           N
ATOM     64  CA  TYR A   5      -3.449  -6.604   1.541  1.00  0.00           C
ATOM     65  C   TYR A   5      -1.936  -6.462   1.514  1.00  0.00           C
ATOM     66  O   TYR A   5      -1.257  -6.658   2.538  1.00  0.00           O
ATOM     67  CB  TYR A   5      -3.901  -7.867   2.308  1.00  0.00           C
ATOM     68  CG  TYR A   5      -5.327  -7.790   2.801  1.00  0.00           C
ATOM     69  CD1 TYR A   5      -6.364  -8.407   2.120  1.00  0.00           C
ATOM     70  CD2 TYR A   5      -5.630  -7.083   3.952  1.00  0.00           C
ATOM     71  CE1 TYR A   5      -7.665  -8.318   2.575  1.00  0.00           C
ATOM     72  CE2 TYR A   5      -6.922  -6.991   4.413  1.00  0.00           C
ATOM     73  CZ  TYR A   5      -7.935  -7.607   3.725  1.00  0.00           C
ATOM     74  OH  TYR A   5      -9.225  -7.503   4.185  1.00  0.00           O
ATOM      0  H   TYR A   5      -4.528  -5.576   0.064  1.00  0.00           H   new
ATOM      0  HA  TYR A   5      -3.836  -5.760   2.111  1.00  0.00           H   new
ATOM      0  HB2 TYR A   5      -3.795  -8.735   1.658  1.00  0.00           H   new
ATOM      0  HB3 TYR A   5      -3.238  -8.023   3.159  1.00  0.00           H   new
ATOM      0  HD1 TYR A   5      -6.152  -8.966   1.220  1.00  0.00           H   new
ATOM      0  HD2 TYR A   5      -4.837  -6.595   4.498  1.00  0.00           H   new
ATOM      0  HE1 TYR A   5      -8.465  -8.802   2.034  1.00  0.00           H   new
ATOM      0  HE2 TYR A   5      -7.138  -6.436   5.314  1.00  0.00           H   new
ATOM      0  HH  TYR A   5      -9.237  -6.969   5.007  1.00  0.00           H   new
ATOM     84  N   GLY A   6      -1.420  -6.060   0.382  1.00  0.00           N
ATOM     85  CA  GLY A   6      -0.020  -5.824   0.264  1.00  0.00           C
ATOM     86  C   GLY A   6       0.283  -4.382   0.538  1.00  0.00           C
ATOM     87  O   GLY A   6      -0.645  -3.561   0.641  1.00  0.00           O
ATOM      0  H   GLY A   6      -1.957  -5.891  -0.469  1.00  0.00           H   new
ATOM      0  HA2 GLY A   6       0.524  -6.458   0.964  1.00  0.00           H   new
ATOM      0  HA3 GLY A   6       0.319  -6.091  -0.737  1.00  0.00           H   new
ATOM     91  N   GLN A   7       1.538  -4.056   0.662  1.00  0.00           N
ATOM     92  CA  GLN A   7       1.932  -2.705   0.928  1.00  0.00           C
ATOM     93  C   GLN A   7       2.169  -1.965  -0.377  1.00  0.00           C
ATOM     94  O   GLN A   7       3.080  -2.313  -1.130  1.00  0.00           O
ATOM     95  CB  GLN A   7       3.194  -2.662   1.807  1.00  0.00           C
ATOM     96  CG  GLN A   7       3.644  -1.252   2.151  1.00  0.00           C
ATOM     97  CD  GLN A   7       4.908  -1.192   2.970  1.00  0.00           C
ATOM     98  OE1 GLN A   7       5.644  -0.135   2.793  1.00  0.00           O   flip
ATOM     99  NE2 GLN A   7       5.209  -2.086   3.759  1.00  0.00           N   flip
ATOM      0  H   GLN A   7       2.312  -4.716   0.582  1.00  0.00           H   new
ATOM      0  HA  GLN A   7       1.126  -2.213   1.472  1.00  0.00           H   new
ATOM      0  HB2 GLN A   7       3.003  -3.210   2.730  1.00  0.00           H   new
ATOM      0  HB3 GLN A   7       4.004  -3.178   1.292  1.00  0.00           H   new
ATOM      0  HG2 GLN A   7       3.796  -0.695   1.227  1.00  0.00           H   new
ATOM      0  HG3 GLN A   7       2.845  -0.750   2.698  1.00  0.00           H   new
ATOM      0 HE21 GLN A   7       4.601  -2.898   3.866  1.00  0.00           H   new
ATOM      0 HE22 GLN A   7       6.067  -2.015   4.307  1.00  0.00           H   new
ATOM    108  N   CYS A   8       1.324  -0.984  -0.658  1.00  0.00           N
ATOM    109  CA  CYS A   8       1.511  -0.115  -1.820  1.00  0.00           C
ATOM    110  C   CYS A   8       2.658   0.810  -1.562  1.00  0.00           C
ATOM    111  O   CYS A   8       3.394   1.182  -2.456  1.00  0.00           O
ATOM    112  CB  CYS A   8       0.260   0.693  -2.122  1.00  0.00           C
ATOM    113  SG  CYS A   8      -0.590   1.368  -0.662  1.00  0.00           S
ATOM      0  H   CYS A   8       0.499  -0.766  -0.099  1.00  0.00           H   new
ATOM      0  HA  CYS A   8       1.719  -0.743  -2.687  1.00  0.00           H   new
ATOM      0  HB2 CYS A   8       0.529   1.518  -2.781  1.00  0.00           H   new
ATOM      0  HB3 CYS A   8      -0.439   0.061  -2.671  1.00  0.00           H   new
ATOM    118  N   GLY A   9       2.808   1.189  -0.324  1.00  0.00           N
ATOM    119  CA  GLY A   9       3.932   1.950   0.011  1.00  0.00           C
ATOM    120  C   GLY A   9       3.646   3.289   0.563  1.00  0.00           C
ATOM    121  O   GLY A   9       2.833   4.051   0.040  1.00  0.00           O
ATOM      0  H   GLY A   9       2.168   0.978   0.442  1.00  0.00           H   new
ATOM      0  HA2 GLY A   9       4.523   1.394   0.739  1.00  0.00           H   new
ATOM      0  HA3 GLY A   9       4.550   2.067  -0.879  1.00  0.00           H   new
ATOM    125  N   GLY A  10       4.278   3.541   1.645  1.00  0.00           N
ATOM    126  CA  GLY A  10       4.284   4.806   2.259  1.00  0.00           C
ATOM    127  C   GLY A  10       5.613   5.433   1.917  1.00  0.00           C
ATOM    128  O   GLY A  10       6.218   5.080   0.879  1.00  0.00           O
ATOM      0  H   GLY A  10       4.827   2.842   2.145  1.00  0.00           H   new
ATOM      0  HA2 GLY A  10       3.459   5.419   1.896  1.00  0.00           H   new
ATOM      0  HA3 GLY A  10       4.162   4.715   3.338  1.00  0.00           H   new
ATOM    132  N   ILE A  11       6.056   6.345   2.722  1.00  0.00           N
ATOM    133  CA  ILE A  11       7.375   6.928   2.568  1.00  0.00           C
ATOM    134  C   ILE A  11       8.427   5.802   2.666  1.00  0.00           C
ATOM    135  O   ILE A  11       8.374   4.977   3.574  1.00  0.00           O
ATOM    136  CB  ILE A  11       7.650   7.961   3.695  1.00  0.00           C
ATOM    137  CG1 ILE A  11       6.577   9.061   3.696  1.00  0.00           C
ATOM    138  CG2 ILE A  11       9.047   8.568   3.547  1.00  0.00           C
ATOM    139  CD1 ILE A  11       6.699  10.039   4.847  1.00  0.00           C
ATOM      0  H   ILE A  11       5.523   6.715   3.509  1.00  0.00           H   new
ATOM      0  HA  ILE A  11       7.430   7.431   1.602  1.00  0.00           H   new
ATOM      0  HB  ILE A  11       7.606   7.440   4.651  1.00  0.00           H   new
ATOM      0 HG12 ILE A  11       6.635   9.612   2.757  1.00  0.00           H   new
ATOM      0 HG13 ILE A  11       5.593   8.594   3.732  1.00  0.00           H   new
ATOM      0 HG21 ILE A  11       9.217   9.288   4.347  1.00  0.00           H   new
ATOM      0 HG22 ILE A  11       9.795   7.777   3.605  1.00  0.00           H   new
ATOM      0 HG23 ILE A  11       9.125   9.071   2.583  1.00  0.00           H   new
ATOM      0 HD11 ILE A  11       5.906  10.784   4.777  1.00  0.00           H   new
ATOM      0 HD12 ILE A  11       6.610   9.502   5.792  1.00  0.00           H   new
ATOM      0 HD13 ILE A  11       7.668  10.535   4.802  1.00  0.00           H   new
ATOM    151  N   GLY A  12       9.326   5.740   1.712  1.00  0.00           N
ATOM    152  CA  GLY A  12      10.374   4.747   1.762  1.00  0.00           C
ATOM    153  C   GLY A  12      10.095   3.544   0.901  1.00  0.00           C
ATOM    154  O   GLY A  12      10.791   2.530   0.991  1.00  0.00           O
ATOM      0  H   GLY A  12       9.354   6.357   0.901  1.00  0.00           H   new
ATOM      0  HA2 GLY A  12      11.312   5.202   1.445  1.00  0.00           H   new
ATOM      0  HA3 GLY A  12      10.509   4.423   2.794  1.00  0.00           H   new
ATOM    158  N   TYR A  13       9.075   3.625   0.102  1.00  0.00           N
ATOM    159  CA  TYR A  13       8.739   2.558  -0.812  1.00  0.00           C
ATOM    160  C   TYR A  13       8.932   3.087  -2.242  1.00  0.00           C
ATOM    161  O   TYR A  13       8.596   4.244  -2.517  1.00  0.00           O
ATOM    162  CB  TYR A  13       7.286   2.139  -0.556  1.00  0.00           C
ATOM    163  CG  TYR A  13       6.833   0.841  -1.195  1.00  0.00           C
ATOM    164  CD1 TYR A  13       6.537   0.758  -2.542  1.00  0.00           C
ATOM    165  CD2 TYR A  13       6.662  -0.299  -0.420  1.00  0.00           C
ATOM    166  CE1 TYR A  13       6.090  -0.420  -3.099  1.00  0.00           C
ATOM    167  CE2 TYR A  13       6.221  -1.478  -0.973  1.00  0.00           C
ATOM    168  CZ  TYR A  13       5.936  -1.532  -2.315  1.00  0.00           C
ATOM    169  OH  TYR A  13       5.479  -2.708  -2.874  1.00  0.00           O
ATOM      0  H   TYR A  13       8.448   4.429   0.059  1.00  0.00           H   new
ATOM      0  HA  TYR A  13       9.375   1.684  -0.671  1.00  0.00           H   new
ATOM      0  HB2 TYR A  13       7.139   2.058   0.521  1.00  0.00           H   new
ATOM      0  HB3 TYR A  13       6.634   2.938  -0.908  1.00  0.00           H   new
ATOM      0  HD1 TYR A  13       6.658   1.630  -3.168  1.00  0.00           H   new
ATOM      0  HD2 TYR A  13       6.880  -0.258   0.637  1.00  0.00           H   new
ATOM      0  HE1 TYR A  13       5.861  -0.466  -4.153  1.00  0.00           H   new
ATOM      0  HE2 TYR A  13       6.100  -2.356  -0.356  1.00  0.00           H   new
ATOM      0  HH  TYR A  13       4.641  -2.972  -2.440  1.00  0.00           H   new
ATOM    179  N   SER A  14       9.494   2.290  -3.126  1.00  0.00           N
ATOM    180  CA  SER A  14       9.724   2.742  -4.495  1.00  0.00           C
ATOM    181  C   SER A  14       9.395   1.663  -5.531  1.00  0.00           C
ATOM    182  O   SER A  14       9.751   1.776  -6.713  1.00  0.00           O
ATOM    183  CB  SER A  14      11.163   3.242  -4.631  1.00  0.00           C
ATOM    184  OG  SER A  14      12.084   2.305  -4.103  1.00  0.00           O
ATOM      0  H   SER A  14       9.799   1.336  -2.932  1.00  0.00           H   new
ATOM      0  HA  SER A  14       9.042   3.567  -4.702  1.00  0.00           H   new
ATOM      0  HB2 SER A  14      11.389   3.425  -5.681  1.00  0.00           H   new
ATOM      0  HB3 SER A  14      11.270   4.194  -4.111  1.00  0.00           H   new
ATOM      0  HG  SER A  14      12.996   2.650  -4.205  1.00  0.00           H   new
ATOM    190  N   GLY A  15       8.705   0.638  -5.098  1.00  0.00           N
ATOM    191  CA  GLY A  15       8.299  -0.416  -5.992  1.00  0.00           C
ATOM    192  C   GLY A  15       6.881  -0.199  -6.496  1.00  0.00           C
ATOM    193  O   GLY A  15       6.547   0.911  -6.913  1.00  0.00           O
ATOM      0  H   GLY A  15       8.412   0.511  -4.129  1.00  0.00           H   new
ATOM      0  HA2 GLY A  15       8.985  -0.462  -6.838  1.00  0.00           H   new
ATOM      0  HA3 GLY A  15       8.362  -1.375  -5.478  1.00  0.00           H   new
ATOM    197  N   PRO A  16       6.027  -1.232  -6.465  1.00  0.00           N
ATOM    198  CA  PRO A  16       4.626  -1.124  -6.888  1.00  0.00           C
ATOM    199  C   PRO A  16       3.790  -0.287  -5.919  1.00  0.00           C
ATOM    200  O   PRO A  16       3.307  -0.787  -4.909  1.00  0.00           O
ATOM    201  CB  PRO A  16       4.120  -2.575  -6.884  1.00  0.00           C
ATOM    202  CG  PRO A  16       5.328  -3.427  -6.713  1.00  0.00           C
ATOM    203  CD  PRO A  16       6.350  -2.591  -6.020  1.00  0.00           C
ATOM      0  HA  PRO A  16       4.543  -0.631  -7.857  1.00  0.00           H   new
ATOM      0  HB2 PRO A  16       3.409  -2.739  -6.074  1.00  0.00           H   new
ATOM      0  HB3 PRO A  16       3.604  -2.811  -7.814  1.00  0.00           H   new
ATOM      0  HG2 PRO A  16       5.094  -4.316  -6.127  1.00  0.00           H   new
ATOM      0  HG3 PRO A  16       5.699  -3.770  -7.679  1.00  0.00           H   new
ATOM      0  HD2 PRO A  16       6.282  -2.687  -4.936  1.00  0.00           H   new
ATOM      0  HD3 PRO A  16       7.363  -2.877  -6.302  1.00  0.00           H   new
ATOM    211  N   THR A  17       3.666   0.986  -6.211  1.00  0.00           N
ATOM    212  CA  THR A  17       2.898   1.890  -5.401  1.00  0.00           C
ATOM    213  C   THR A  17       1.428   1.888  -5.820  1.00  0.00           C
ATOM    214  O   THR A  17       0.551   2.388  -5.104  1.00  0.00           O
ATOM    215  CB  THR A  17       3.504   3.309  -5.466  1.00  0.00           C
ATOM    216  OG1 THR A  17       3.879   3.621  -6.831  1.00  0.00           O
ATOM    217  CG2 THR A  17       4.723   3.423  -4.560  1.00  0.00           C
ATOM      0  H   THR A  17       4.100   1.423  -7.024  1.00  0.00           H   new
ATOM      0  HA  THR A  17       2.939   1.551  -4.366  1.00  0.00           H   new
ATOM      0  HB  THR A  17       2.752   4.019  -5.122  1.00  0.00           H   new
ATOM      0  HG1 THR A  17       4.261   4.523  -6.867  1.00  0.00           H   new
ATOM      0 HG21 THR A  17       5.131   4.432  -4.624  1.00  0.00           H   new
ATOM      0 HG22 THR A  17       4.432   3.214  -3.531  1.00  0.00           H   new
ATOM      0 HG23 THR A  17       5.480   2.705  -4.876  1.00  0.00           H   new
ATOM    225  N   VAL A  18       1.174   1.320  -6.980  1.00  0.00           N
ATOM    226  CA  VAL A  18      -0.168   1.186  -7.498  1.00  0.00           C
ATOM    227  C   VAL A  18      -0.770  -0.127  -6.995  1.00  0.00           C
ATOM    228  O   VAL A  18      -0.115  -1.183  -7.043  1.00  0.00           O
ATOM    229  CB  VAL A  18      -0.174   1.204  -9.058  1.00  0.00           C
ATOM    230  CG1 VAL A  18      -1.587   1.069  -9.610  1.00  0.00           C
ATOM    231  CG2 VAL A  18       0.457   2.477  -9.580  1.00  0.00           C
ATOM      0  H   VAL A  18       1.896   0.938  -7.591  1.00  0.00           H   new
ATOM      0  HA  VAL A  18      -0.763   2.030  -7.148  1.00  0.00           H   new
ATOM      0  HB  VAL A  18       0.411   0.349  -9.396  1.00  0.00           H   new
ATOM      0 HG11 VAL A  18      -1.555   1.085 -10.699  1.00  0.00           H   new
ATOM      0 HG12 VAL A  18      -2.021   0.127  -9.274  1.00  0.00           H   new
ATOM      0 HG13 VAL A  18      -2.198   1.898  -9.253  1.00  0.00           H   new
ATOM      0 HG21 VAL A  18       0.443   2.470 -10.670  1.00  0.00           H   new
ATOM      0 HG22 VAL A  18      -0.104   3.337  -9.216  1.00  0.00           H   new
ATOM      0 HG23 VAL A  18       1.488   2.542  -9.231  1.00  0.00           H   new
ATOM    241  N   CYS A  19      -1.983  -0.057  -6.511  1.00  0.00           N
ATOM    242  CA  CYS A  19      -2.689  -1.217  -6.009  1.00  0.00           C
ATOM    243  C   CYS A  19      -3.539  -1.853  -7.098  1.00  0.00           C
ATOM    244  O   CYS A  19      -3.717  -1.278  -8.183  1.00  0.00           O
ATOM    245  CB  CYS A  19      -3.576  -0.830  -4.830  1.00  0.00           C
ATOM    246  SG  CYS A  19      -2.671  -0.209  -3.392  1.00  0.00           S
ATOM      0  H   CYS A  19      -2.516   0.811  -6.452  1.00  0.00           H   new
ATOM      0  HA  CYS A  19      -1.945  -1.942  -5.679  1.00  0.00           H   new
ATOM      0  HB2 CYS A  19      -4.283  -0.068  -5.157  1.00  0.00           H   new
ATOM      0  HB3 CYS A  19      -4.161  -1.699  -4.529  1.00  0.00           H   new
ATOM    251  N   ALA A  20      -4.041  -3.037  -6.819  1.00  0.00           N
ATOM    252  CA  ALA A  20      -4.910  -3.759  -7.730  1.00  0.00           C
ATOM    253  C   ALA A  20      -6.283  -3.079  -7.831  1.00  0.00           C
ATOM    254  O   ALA A  20      -6.697  -2.345  -6.913  1.00  0.00           O
ATOM    255  CB  ALA A  20      -5.069  -5.196  -7.254  1.00  0.00           C
ATOM      0  H   ALA A  20      -3.857  -3.532  -5.946  1.00  0.00           H   new
ATOM      0  HA  ALA A  20      -4.457  -3.755  -8.721  1.00  0.00           H   new
ATOM      0  HB1 ALA A  20      -5.722  -5.736  -7.940  1.00  0.00           H   new
ATOM      0  HB2 ALA A  20      -4.093  -5.680  -7.225  1.00  0.00           H   new
ATOM      0  HB3 ALA A  20      -5.506  -5.202  -6.256  1.00  0.00           H   new
ATOM    261  N   SER A  21      -6.971  -3.313  -8.921  1.00  0.00           N
ATOM    262  CA  SER A  21      -8.285  -2.755  -9.148  1.00  0.00           C
ATOM    263  C   SER A  21      -9.270  -3.228  -8.070  1.00  0.00           C
ATOM    264  O   SER A  21      -9.457  -4.442  -7.850  1.00  0.00           O
ATOM    265  CB  SER A  21      -8.774  -3.139 -10.543  1.00  0.00           C
ATOM    266  OG  SER A  21      -7.829  -2.734 -11.527  1.00  0.00           O
ATOM      0  H   SER A  21      -6.634  -3.901  -9.683  1.00  0.00           H   new
ATOM      0  HA  SER A  21      -8.224  -1.668  -9.086  1.00  0.00           H   new
ATOM      0  HB2 SER A  21      -8.927  -4.217 -10.598  1.00  0.00           H   new
ATOM      0  HB3 SER A  21      -9.738  -2.670 -10.740  1.00  0.00           H   new
ATOM      0  HG  SER A  21      -8.154  -2.988 -12.416  1.00  0.00           H   new
ATOM    272  N   GLY A  22      -9.841  -2.285  -7.365  1.00  0.00           N
ATOM    273  CA  GLY A  22     -10.771  -2.603  -6.319  1.00  0.00           C
ATOM    274  C   GLY A  22     -10.157  -2.388  -4.968  1.00  0.00           C
ATOM    275  O   GLY A  22     -10.854  -2.323  -3.952  1.00  0.00           O
ATOM      0  H   GLY A  22      -9.675  -1.288  -7.499  1.00  0.00           H   new
ATOM      0  HA2 GLY A  22     -11.662  -1.984  -6.420  1.00  0.00           H   new
ATOM      0  HA3 GLY A  22     -11.091  -3.640  -6.416  1.00  0.00           H   new
ATOM    279  N   THR A  23      -8.853  -2.270  -4.933  1.00  0.00           N
ATOM    280  CA  THR A  23      -8.178  -2.054  -3.694  1.00  0.00           C
ATOM    281  C   THR A  23      -7.696  -0.625  -3.645  1.00  0.00           C
ATOM    282  O   THR A  23      -7.352  -0.047  -4.683  1.00  0.00           O
ATOM    283  CB  THR A  23      -6.997  -3.046  -3.470  1.00  0.00           C
ATOM    284  OG1 THR A  23      -5.970  -2.859  -4.441  1.00  0.00           O
ATOM    285  CG2 THR A  23      -7.480  -4.475  -3.559  1.00  0.00           C
ATOM      0  H   THR A  23      -8.246  -2.321  -5.751  1.00  0.00           H   new
ATOM      0  HA  THR A  23      -8.885  -2.240  -2.885  1.00  0.00           H   new
ATOM      0  HB  THR A  23      -6.596  -2.846  -2.477  1.00  0.00           H   new
ATOM      0  HG1 THR A  23      -6.356  -2.916  -5.340  1.00  0.00           H   new
ATOM      0 HG21 THR A  23      -6.642  -5.153  -3.400  1.00  0.00           H   new
ATOM      0 HG22 THR A  23      -8.239  -4.651  -2.796  1.00  0.00           H   new
ATOM      0 HG23 THR A  23      -7.909  -4.653  -4.545  1.00  0.00           H   new
ATOM    293  N   THR A  24      -7.716  -0.059  -2.488  1.00  0.00           N
ATOM    294  CA  THR A  24      -7.313   1.297  -2.295  1.00  0.00           C
ATOM    295  C   THR A  24      -6.022   1.361  -1.512  1.00  0.00           C
ATOM    296  O   THR A  24      -5.858   0.627  -0.533  1.00  0.00           O
ATOM    297  CB  THR A  24      -8.423   2.091  -1.566  1.00  0.00           C
ATOM    298  OG1 THR A  24      -8.900   1.353  -0.407  1.00  0.00           O
ATOM    299  CG2 THR A  24      -9.582   2.369  -2.502  1.00  0.00           C
ATOM      0  H   THR A  24      -8.017  -0.530  -1.634  1.00  0.00           H   new
ATOM      0  HA  THR A  24      -7.146   1.748  -3.273  1.00  0.00           H   new
ATOM      0  HB  THR A  24      -7.998   3.039  -1.235  1.00  0.00           H   new
ATOM      0  HG1 THR A  24      -9.194   0.461  -0.686  1.00  0.00           H   new
ATOM      0 HG21 THR A  24     -10.352   2.928  -1.971  1.00  0.00           H   new
ATOM      0 HG22 THR A  24      -9.231   2.953  -3.353  1.00  0.00           H   new
ATOM      0 HG23 THR A  24      -9.998   1.426  -2.857  1.00  0.00           H   new
ATOM    307  N   CYS A  25      -5.105   2.189  -1.953  1.00  0.00           N
ATOM    308  CA  CYS A  25      -3.869   2.381  -1.244  1.00  0.00           C
ATOM    309  C   CYS A  25      -4.126   3.323  -0.107  1.00  0.00           C
ATOM    310  O   CYS A  25      -4.397   4.508  -0.313  1.00  0.00           O
ATOM    311  CB  CYS A  25      -2.754   2.935  -2.146  1.00  0.00           C
ATOM    312  SG  CYS A  25      -1.164   3.218  -1.272  1.00  0.00           S
ATOM      0  H   CYS A  25      -5.196   2.742  -2.805  1.00  0.00           H   new
ATOM      0  HA  CYS A  25      -3.523   1.413  -0.881  1.00  0.00           H   new
ATOM      0  HB2 CYS A  25      -2.587   2.240  -2.969  1.00  0.00           H   new
ATOM      0  HB3 CYS A  25      -3.088   3.875  -2.585  1.00  0.00           H   new
ATOM    317  N   GLN A  26      -4.120   2.798   1.069  1.00  0.00           N
ATOM    318  CA  GLN A  26      -4.367   3.579   2.227  1.00  0.00           C
ATOM    319  C   GLN A  26      -3.107   3.711   3.023  1.00  0.00           C
ATOM    320  O   GLN A  26      -2.539   2.704   3.474  1.00  0.00           O
ATOM    321  CB  GLN A  26      -5.467   2.949   3.057  1.00  0.00           C
ATOM    322  CG  GLN A  26      -6.797   2.884   2.332  1.00  0.00           C
ATOM    323  CD  GLN A  26      -7.836   2.126   3.101  1.00  0.00           C
ATOM    324  OE1 GLN A  26      -7.826   2.091   4.338  1.00  0.00           O
ATOM    325  NE2 GLN A  26      -8.740   1.507   2.395  1.00  0.00           N
ATOM      0  H   GLN A  26      -3.943   1.811   1.254  1.00  0.00           H   new
ATOM      0  HA  GLN A  26      -4.696   4.574   1.928  1.00  0.00           H   new
ATOM      0  HB2 GLN A  26      -5.166   1.941   3.343  1.00  0.00           H   new
ATOM      0  HB3 GLN A  26      -5.590   3.518   3.978  1.00  0.00           H   new
ATOM      0  HG2 GLN A  26      -7.155   3.897   2.146  1.00  0.00           H   new
ATOM      0  HG3 GLN A  26      -6.654   2.413   1.360  1.00  0.00           H   new
ATOM      0 HE21 GLN A  26      -8.716   1.559   1.377  1.00  0.00           H   new
ATOM      0 HE22 GLN A  26      -9.472   0.971   2.861  1.00  0.00           H   new
ATOM    334  N   VAL A  27      -2.646   4.930   3.169  1.00  0.00           N
ATOM    335  CA  VAL A  27      -1.474   5.201   3.948  1.00  0.00           C
ATOM    336  C   VAL A  27      -1.895   5.151   5.413  1.00  0.00           C
ATOM    337  O   VAL A  27      -2.468   6.104   5.953  1.00  0.00           O
ATOM    338  CB  VAL A  27      -0.830   6.584   3.578  1.00  0.00           C
ATOM    339  CG1 VAL A  27       0.477   6.802   4.301  1.00  0.00           C
ATOM    340  CG2 VAL A  27      -0.637   6.714   2.071  1.00  0.00           C
ATOM      0  H   VAL A  27      -3.075   5.756   2.751  1.00  0.00           H   new
ATOM      0  HA  VAL A  27      -0.703   4.458   3.744  1.00  0.00           H   new
ATOM      0  HB  VAL A  27      -1.523   7.360   3.904  1.00  0.00           H   new
ATOM      0 HG11 VAL A  27       0.892   7.770   4.019  1.00  0.00           H   new
ATOM      0 HG12 VAL A  27       0.305   6.781   5.377  1.00  0.00           H   new
ATOM      0 HG13 VAL A  27       1.179   6.013   4.030  1.00  0.00           H   new
ATOM      0 HG21 VAL A  27      -0.189   7.681   1.844  1.00  0.00           H   new
ATOM      0 HG22 VAL A  27       0.019   5.919   1.718  1.00  0.00           H   new
ATOM      0 HG23 VAL A  27      -1.603   6.635   1.572  1.00  0.00           H   new
ATOM    350  N   LEU A  28      -1.684   4.004   6.013  1.00  0.00           N
ATOM    351  CA  LEU A  28      -2.138   3.724   7.371  1.00  0.00           C
ATOM    352  C   LEU A  28      -1.187   4.339   8.359  1.00  0.00           C
ATOM    353  O   LEU A  28      -1.567   4.826   9.420  1.00  0.00           O
ATOM    354  CB  LEU A  28      -2.181   2.204   7.592  1.00  0.00           C
ATOM    355  CG  LEU A  28      -3.041   1.387   6.623  1.00  0.00           C
ATOM    356  CD1 LEU A  28      -2.939  -0.082   6.950  1.00  0.00           C
ATOM    357  CD2 LEU A  28      -4.481   1.821   6.685  1.00  0.00           C
ATOM      0  H   LEU A  28      -1.189   3.227   5.576  1.00  0.00           H   new
ATOM      0  HA  LEU A  28      -3.133   4.146   7.512  1.00  0.00           H   new
ATOM      0  HB2 LEU A  28      -1.160   1.825   7.542  1.00  0.00           H   new
ATOM      0  HB3 LEU A  28      -2.541   2.018   8.604  1.00  0.00           H   new
ATOM      0  HG  LEU A  28      -2.670   1.560   5.613  1.00  0.00           H   new
ATOM      0 HD11 LEU A  28      -3.554  -0.653   6.255  1.00  0.00           H   new
ATOM      0 HD12 LEU A  28      -1.901  -0.403   6.864  1.00  0.00           H   new
ATOM      0 HD13 LEU A  28      -3.288  -0.253   7.968  1.00  0.00           H   new
ATOM      0 HD21 LEU A  28      -5.071   1.226   5.988  1.00  0.00           H   new
ATOM      0 HD22 LEU A  28      -4.861   1.677   7.696  1.00  0.00           H   new
ATOM      0 HD23 LEU A  28      -4.555   2.875   6.416  1.00  0.00           H   new
ATOM    369  N   ASN A  29       0.043   4.292   7.994  1.00  0.00           N
ATOM    370  CA  ASN A  29       1.135   4.803   8.761  1.00  0.00           C
ATOM    371  C   ASN A  29       1.952   5.520   7.734  1.00  0.00           C
ATOM    372  O   ASN A  29       1.772   5.223   6.566  1.00  0.00           O
ATOM    373  CB  ASN A  29       1.958   3.643   9.353  1.00  0.00           C
ATOM    374  CG  ASN A  29       1.160   2.659  10.183  1.00  0.00           C
ATOM    375  OD1 ASN A  29       0.631   1.651   9.542  1.00  0.00           O   flip
ATOM    376  ND2 ASN A  29       1.023   2.800  11.391  1.00  0.00           N   flip
ATOM      0  H   ASN A  29       0.336   3.877   7.110  1.00  0.00           H   new
ATOM      0  HA  ASN A  29       0.821   5.430   9.595  1.00  0.00           H   new
ATOM      0  HB2 ASN A  29       2.439   3.103   8.537  1.00  0.00           H   new
ATOM      0  HB3 ASN A  29       2.753   4.059   9.972  1.00  0.00           H   new
ATOM      0 HD21 ASN A  29       1.449   3.598  11.863  1.00  0.00           H   new
ATOM      0 HD22 ASN A  29       0.483   2.120  11.926  1.00  0.00           H   new
ATOM    383  N   PRO A  30       2.873   6.425   8.088  1.00  0.00           N
ATOM    384  CA  PRO A  30       3.592   7.205   7.075  1.00  0.00           C
ATOM    385  C   PRO A  30       4.394   6.337   6.116  1.00  0.00           C
ATOM    386  O   PRO A  30       4.545   6.673   4.950  1.00  0.00           O
ATOM    387  CB  PRO A  30       4.548   8.083   7.862  1.00  0.00           C
ATOM    388  CG  PRO A  30       4.090   8.028   9.285  1.00  0.00           C
ATOM    389  CD  PRO A  30       3.307   6.753   9.455  1.00  0.00           C
ATOM      0  HA  PRO A  30       2.884   7.761   6.460  1.00  0.00           H   new
ATOM      0  HB2 PRO A  30       5.573   7.724   7.769  1.00  0.00           H   new
ATOM      0  HB3 PRO A  30       4.534   9.107   7.488  1.00  0.00           H   new
ATOM      0  HG2 PRO A  30       4.942   8.049   9.964  1.00  0.00           H   new
ATOM      0  HG3 PRO A  30       3.472   8.893   9.523  1.00  0.00           H   new
ATOM      0  HD2 PRO A  30       3.921   5.960   9.881  1.00  0.00           H   new
ATOM      0  HD3 PRO A  30       2.457   6.891  10.123  1.00  0.00           H   new
ATOM    397  N   TYR A  31       4.895   5.218   6.608  1.00  0.00           N
ATOM    398  CA  TYR A  31       5.730   4.367   5.799  1.00  0.00           C
ATOM    399  C   TYR A  31       4.954   3.112   5.364  1.00  0.00           C
ATOM    400  O   TYR A  31       5.246   2.511   4.318  1.00  0.00           O
ATOM    401  CB  TYR A  31       7.001   3.998   6.597  1.00  0.00           C
ATOM    402  CG  TYR A  31       7.751   5.220   7.144  1.00  0.00           C
ATOM    403  CD1 TYR A  31       7.373   5.817   8.343  1.00  0.00           C
ATOM    404  CD2 TYR A  31       8.813   5.782   6.457  1.00  0.00           C
ATOM    405  CE1 TYR A  31       8.024   6.928   8.829  1.00  0.00           C
ATOM    406  CE2 TYR A  31       9.475   6.893   6.941  1.00  0.00           C
ATOM    407  CZ  TYR A  31       9.072   7.464   8.126  1.00  0.00           C
ATOM    408  OH  TYR A  31       9.723   8.587   8.613  1.00  0.00           O
ATOM      0  H   TYR A  31       4.736   4.884   7.559  1.00  0.00           H   new
ATOM      0  HA  TYR A  31       6.028   4.895   4.893  1.00  0.00           H   new
ATOM      0  HB2 TYR A  31       6.724   3.349   7.428  1.00  0.00           H   new
ATOM      0  HB3 TYR A  31       7.671   3.426   5.955  1.00  0.00           H   new
ATOM      0  HD1 TYR A  31       6.551   5.399   8.905  1.00  0.00           H   new
ATOM      0  HD2 TYR A  31       9.131   5.342   5.523  1.00  0.00           H   new
ATOM      0  HE1 TYR A  31       7.711   7.376   9.760  1.00  0.00           H   new
ATOM      0  HE2 TYR A  31      10.305   7.312   6.392  1.00  0.00           H   new
ATOM      0  HH  TYR A  31      10.443   8.840   7.998  1.00  0.00           H   new
ATOM    418  N   TYR A  32       3.934   2.749   6.123  1.00  0.00           N
ATOM    419  CA  TYR A  32       3.135   1.590   5.782  1.00  0.00           C
ATOM    420  C   TYR A  32       1.801   1.990   5.165  1.00  0.00           C
ATOM    421  O   TYR A  32       0.923   2.536   5.850  1.00  0.00           O
ATOM    422  CB  TYR A  32       2.888   0.692   6.999  1.00  0.00           C
ATOM    423  CG  TYR A  32       2.173  -0.613   6.666  1.00  0.00           C
ATOM    424  CD1 TYR A  32       2.884  -1.688   6.149  1.00  0.00           C
ATOM    425  CD2 TYR A  32       0.797  -0.778   6.877  1.00  0.00           C
ATOM    426  CE1 TYR A  32       2.264  -2.882   5.849  1.00  0.00           C
ATOM    427  CE2 TYR A  32       0.177  -1.977   6.574  1.00  0.00           C
ATOM    428  CZ  TYR A  32       0.914  -3.020   6.064  1.00  0.00           C
ATOM    429  OH  TYR A  32       0.299  -4.219   5.775  1.00  0.00           O
ATOM      0  H   TYR A  32       3.643   3.236   6.971  1.00  0.00           H   new
ATOM      0  HA  TYR A  32       3.708   1.027   5.045  1.00  0.00           H   new
ATOM      0  HB2 TYR A  32       3.844   0.462   7.469  1.00  0.00           H   new
ATOM      0  HB3 TYR A  32       2.297   1.243   7.731  1.00  0.00           H   new
ATOM      0  HD1 TYR A  32       3.946  -1.586   5.978  1.00  0.00           H   new
ATOM      0  HD2 TYR A  32       0.216   0.038   7.280  1.00  0.00           H   new
ATOM      0  HE1 TYR A  32       2.836  -3.705   5.447  1.00  0.00           H   new
ATOM      0  HE2 TYR A  32      -0.884  -2.094   6.738  1.00  0.00           H   new
ATOM      0  HH  TYR A  32      -0.585  -4.243   6.196  1.00  0.00           H   new
ATOM    439  N   SER A  33       1.634   1.666   3.929  1.00  0.00           N
ATOM    440  CA  SER A  33       0.399   1.893   3.233  1.00  0.00           C
ATOM    441  C   SER A  33      -0.042   0.563   2.683  1.00  0.00           C
ATOM    442  O   SER A  33       0.776  -0.159   2.126  1.00  0.00           O
ATOM    443  CB  SER A  33       0.622   2.880   2.108  1.00  0.00           C
ATOM    444  OG  SER A  33       1.236   4.048   2.592  1.00  0.00           O
ATOM      0  H   SER A  33       2.358   1.229   3.358  1.00  0.00           H   new
ATOM      0  HA  SER A  33      -0.361   2.307   3.896  1.00  0.00           H   new
ATOM      0  HB2 SER A  33       1.246   2.427   1.337  1.00  0.00           H   new
ATOM      0  HB3 SER A  33      -0.331   3.130   1.641  1.00  0.00           H   new
ATOM      0  HG  SER A  33       1.590   4.567   1.840  1.00  0.00           H   new
ATOM    450  N   GLN A  34      -1.283   0.228   2.827  1.00  0.00           N
ATOM    451  CA  GLN A  34      -1.739  -1.077   2.428  1.00  0.00           C
ATOM    452  C   GLN A  34      -2.847  -0.947   1.401  1.00  0.00           C
ATOM    453  O   GLN A  34      -3.567   0.054   1.386  1.00  0.00           O
ATOM    454  CB  GLN A  34      -2.202  -1.853   3.668  1.00  0.00           C
ATOM    455  CG  GLN A  34      -2.533  -3.321   3.434  1.00  0.00           C
ATOM    456  CD  GLN A  34      -2.883  -4.042   4.718  1.00  0.00           C
ATOM    457  OE1 GLN A  34      -3.430  -3.459   5.639  1.00  0.00           O
ATOM    458  NE2 GLN A  34      -2.516  -5.294   4.813  1.00  0.00           N
ATOM      0  H   GLN A  34      -2.004   0.835   3.217  1.00  0.00           H   new
ATOM      0  HA  GLN A  34      -0.924  -1.632   1.963  1.00  0.00           H   new
ATOM      0  HB2 GLN A  34      -1.422  -1.790   4.427  1.00  0.00           H   new
ATOM      0  HB3 GLN A  34      -3.084  -1.360   4.076  1.00  0.00           H   new
ATOM      0  HG2 GLN A  34      -3.369  -3.396   2.738  1.00  0.00           H   new
ATOM      0  HG3 GLN A  34      -1.681  -3.813   2.964  1.00  0.00           H   new
ATOM      0 HE21 GLN A  34      -2.061  -5.753   4.024  1.00  0.00           H   new
ATOM      0 HE22 GLN A  34      -2.685  -5.811   5.676  1.00  0.00           H   new
ATOM    467  N   CYS A  35      -2.946  -1.919   0.532  1.00  0.00           N
ATOM    468  CA  CYS A  35      -3.977  -1.940  -0.471  1.00  0.00           C
ATOM    469  C   CYS A  35      -5.173  -2.692   0.071  1.00  0.00           C
ATOM    470  O   CYS A  35      -5.146  -3.934   0.194  1.00  0.00           O
ATOM    471  CB  CYS A  35      -3.475  -2.629  -1.744  1.00  0.00           C
ATOM    472  SG  CYS A  35      -1.984  -1.884  -2.472  1.00  0.00           S
ATOM      0  H   CYS A  35      -2.313  -2.719   0.500  1.00  0.00           H   new
ATOM      0  HA  CYS A  35      -4.256  -0.916  -0.718  1.00  0.00           H   new
ATOM      0  HB2 CYS A  35      -3.269  -3.675  -1.518  1.00  0.00           H   new
ATOM      0  HB3 CYS A  35      -4.272  -2.615  -2.487  1.00  0.00           H   new
ATOM    477  N   LEU A  36      -6.192  -1.970   0.409  1.00  0.00           N
ATOM    478  CA  LEU A  36      -7.397  -2.546   0.927  1.00  0.00           C
ATOM    479  C   LEU A  36      -8.461  -2.456  -0.120  1.00  0.00           C
ATOM    480  O   LEU A  36      -8.885  -1.327  -0.451  1.00  0.00           O
ATOM    481  CB  LEU A  36      -7.870  -1.889   2.244  1.00  0.00           C
ATOM    482  CG  LEU A  36      -6.954  -2.023   3.483  1.00  0.00           C
ATOM    483  CD1 LEU A  36      -6.468  -3.448   3.686  1.00  0.00           C
ATOM    484  CD2 LEU A  36      -5.809  -1.031   3.466  1.00  0.00           C
ATOM    485  OXT LEU A  36      -8.864  -3.497  -0.650  1.00  0.00           O
ATOM      0  H   LEU A  36      -6.214  -0.953   0.334  1.00  0.00           H   new
ATOM      0  HA  LEU A  36      -7.190  -3.587   1.173  1.00  0.00           H   new
ATOM      0  HB2 LEU A  36      -8.023  -0.827   2.053  1.00  0.00           H   new
ATOM      0  HB3 LEU A  36      -8.843  -2.310   2.499  1.00  0.00           H   new
ATOM      0  HG  LEU A  36      -7.569  -1.773   4.347  1.00  0.00           H   new
ATOM      0 HD11 LEU A  36      -5.828  -3.492   4.568  1.00  0.00           H   new
ATOM      0 HD12 LEU A  36      -7.324  -4.108   3.825  1.00  0.00           H   new
ATOM      0 HD13 LEU A  36      -5.902  -3.768   2.811  1.00  0.00           H   new
ATOM      0 HD21 LEU A  36      -5.196  -1.167   4.357  1.00  0.00           H   new
ATOM      0 HD22 LEU A  36      -5.199  -1.195   2.578  1.00  0.00           H   new
ATOM      0 HD23 LEU A  36      -6.207  -0.016   3.451  1.00  0.00           H   new
TER     497      LEU A  36