USER  MOD reduce.3.24.130724 H: found=0, std=0, add=236, rem=0, adj=14
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  180:sc=       0
USER  MOD Set 1.2: A  34 GLN     :      amide:sc=   0.718  K(o=0.72,f=-1)
USER  MOD Set 2.1: A  24 THR OG1 :   rot   -7:sc=    1.85
USER  MOD Set 2.2: A  26 GLN     :      amide:sc=   0.807  K(o=2.7,f=0.21)
USER  MOD Set 3.1: A   2 GLN     :      amide:sc=  -0.787  X(o=-0.62,f=-0.85)
USER  MOD Set 3.2: A   3 SER OG  :   rot  180:sc=  0.0988
USER  MOD Set 3.3: A  13 TYR OH  :   rot   76:sc=  0.0658
USER  MOD Single : A   1 THR N   :NH3+   -111:sc=   0.121   (180deg=-0.292)
USER  MOD Single : A   1 THR OG1 :   rot  180:sc=  0.0888
USER  MOD Single : A   4 HIS     :     no HD1:sc=    -1.3  X(o=-1.3,f=-1.2)
USER  MOD Single : A   5 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A   7 GLN     :      amide:sc=       0  K(o=0,f=-0.77)
USER  MOD Single : A  14 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  17 THR OG1 :   rot  180:sc=  0.0424
USER  MOD Single : A  21 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  23 THR OG1 :   rot  -51:sc=   0.592
USER  MOD Single : A  29 ASN     :FLIP  amide:sc= -0.0122  F(o=-1.2!,f=-0.012)
USER  MOD Single : A  31 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  33 SER OG  :   rot  165:sc=  -0.485
USER  MOD -----------------------------------------------------------------
ATOM      1  N   THR A   1       2.605  -4.590  -9.538  1.00  0.00           N
ATOM      2  CA  THR A   1       1.462  -3.904  -8.991  1.00  0.00           C
ATOM      3  C   THR A   1       1.061  -4.606  -7.694  1.00  0.00           C
ATOM      4  O   THR A   1       0.928  -5.828  -7.671  1.00  0.00           O
ATOM      5  CB  THR A   1       0.336  -3.950 -10.021  1.00  0.00           C
ATOM      6  OG1 THR A   1       0.905  -3.635 -11.306  1.00  0.00           O
ATOM      7  CG2 THR A   1      -0.707  -2.909  -9.695  1.00  0.00           C
ATOM      0  H1  THR A   1       3.443  -3.978  -9.468  1.00  0.00           H   new
ATOM      0  H2  THR A   1       2.771  -5.467  -9.005  1.00  0.00           H   new
ATOM      0  H3  THR A   1       2.427  -4.821 -10.536  1.00  0.00           H   new
ATOM      0  HA  THR A   1       1.685  -2.861  -8.769  1.00  0.00           H   new
ATOM      0  HB  THR A   1      -0.128  -4.936 -10.019  1.00  0.00           H   new
ATOM      0  HG1 THR A   1       0.203  -3.659 -11.989  1.00  0.00           H   new
ATOM      0 HG21 THR A   1      -1.506  -2.950 -10.436  1.00  0.00           H   new
ATOM      0 HG22 THR A   1      -1.119  -3.105  -8.705  1.00  0.00           H   new
ATOM      0 HG23 THR A   1      -0.250  -1.919  -9.709  1.00  0.00           H   new
ATOM     17  N   GLN A   2       0.864  -3.849  -6.635  1.00  0.00           N
ATOM     18  CA  GLN A   2       0.673  -4.415  -5.319  1.00  0.00           C
ATOM     19  C   GLN A   2      -0.706  -5.035  -5.169  1.00  0.00           C
ATOM     20  O   GLN A   2      -1.724  -4.404  -5.442  1.00  0.00           O
ATOM     21  CB  GLN A   2       0.919  -3.355  -4.258  1.00  0.00           C
ATOM     22  CG  GLN A   2       1.014  -3.876  -2.829  1.00  0.00           C
ATOM     23  CD  GLN A   2       2.090  -4.947  -2.633  1.00  0.00           C
ATOM     24  OE1 GLN A   2       3.265  -4.652  -2.380  1.00  0.00           O
ATOM     25  NE2 GLN A   2       1.695  -6.190  -2.659  1.00  0.00           N
ATOM      0  H   GLN A   2       0.832  -2.830  -6.663  1.00  0.00           H   new
ATOM      0  HA  GLN A   2       1.397  -5.219  -5.185  1.00  0.00           H   new
ATOM      0  HB2 GLN A   2       1.844  -2.831  -4.499  1.00  0.00           H   new
ATOM      0  HB3 GLN A   2       0.115  -2.621  -4.307  1.00  0.00           H   new
ATOM      0  HG2 GLN A   2       1.220  -3.040  -2.160  1.00  0.00           H   new
ATOM      0  HG3 GLN A   2       0.048  -4.287  -2.537  1.00  0.00           H   new
ATOM      0 HE21 GLN A   2       0.722  -6.412  -2.870  1.00  0.00           H   new
ATOM      0 HE22 GLN A   2       2.359  -6.940  -2.469  1.00  0.00           H   new
ATOM     34  N   SER A   3      -0.715  -6.270  -4.758  1.00  0.00           N
ATOM     35  CA  SER A   3      -1.905  -7.031  -4.556  1.00  0.00           C
ATOM     36  C   SER A   3      -2.651  -6.619  -3.260  1.00  0.00           C
ATOM     37  O   SER A   3      -2.165  -5.780  -2.473  1.00  0.00           O
ATOM     38  CB  SER A   3      -1.485  -8.480  -4.532  1.00  0.00           C
ATOM     39  OG  SER A   3      -0.311  -8.618  -3.736  1.00  0.00           O
ATOM      0  H   SER A   3       0.138  -6.789  -4.548  1.00  0.00           H   new
ATOM      0  HA  SER A   3      -2.619  -6.848  -5.359  1.00  0.00           H   new
ATOM      0  HB2 SER A   3      -2.287  -9.096  -4.127  1.00  0.00           H   new
ATOM      0  HB3 SER A   3      -1.294  -8.832  -5.546  1.00  0.00           H   new
ATOM      0  HG  SER A   3      -0.037  -9.559  -3.718  1.00  0.00           H   new
ATOM     45  N   HIS A   4      -3.809  -7.227  -3.040  1.00  0.00           N
ATOM     46  CA  HIS A   4      -4.665  -6.917  -1.911  1.00  0.00           C
ATOM     47  C   HIS A   4      -3.946  -7.260  -0.605  1.00  0.00           C
ATOM     48  O   HIS A   4      -3.312  -8.302  -0.502  1.00  0.00           O
ATOM     49  CB  HIS A   4      -5.986  -7.702  -2.033  1.00  0.00           C
ATOM     50  CG  HIS A   4      -7.105  -7.197  -1.168  1.00  0.00           C
ATOM     51  ND1 HIS A   4      -8.265  -7.892  -0.952  1.00  0.00           N
ATOM     52  CD2 HIS A   4      -7.271  -6.011  -0.549  1.00  0.00           C
ATOM     53  CE1 HIS A   4      -9.093  -7.149  -0.250  1.00  0.00           C
ATOM     54  NE2 HIS A   4      -8.507  -6.001   0.005  1.00  0.00           N
ATOM      0  H   HIS A   4      -4.181  -7.956  -3.649  1.00  0.00           H   new
ATOM      0  HA  HIS A   4      -4.894  -5.851  -1.907  1.00  0.00           H   new
ATOM      0  HB2 HIS A   4      -6.311  -7.678  -3.073  1.00  0.00           H   new
ATOM      0  HB3 HIS A   4      -5.796  -8.746  -1.783  1.00  0.00           H   new
ATOM      0  HD2 HIS A   4      -6.547  -5.211  -0.503  1.00  0.00           H   new
ATOM      0  HE1 HIS A   4     -10.086  -7.434   0.064  1.00  0.00           H   new
ATOM      0  HE2 HIS A   4      -8.915  -5.230   0.533  1.00  0.00           H   new
ATOM     63  N   TYR A   5      -4.013  -6.335   0.352  1.00  0.00           N
ATOM     64  CA  TYR A   5      -3.379  -6.454   1.674  1.00  0.00           C
ATOM     65  C   TYR A   5      -1.874  -6.270   1.615  1.00  0.00           C
ATOM     66  O   TYR A   5      -1.175  -6.446   2.630  1.00  0.00           O
ATOM     67  CB  TYR A   5      -3.756  -7.748   2.425  1.00  0.00           C
ATOM     68  CG  TYR A   5      -5.189  -7.798   2.897  1.00  0.00           C
ATOM     69  CD1 TYR A   5      -6.171  -8.427   2.149  1.00  0.00           C
ATOM     70  CD2 TYR A   5      -5.556  -7.220   4.106  1.00  0.00           C
ATOM     71  CE1 TYR A   5      -7.475  -8.482   2.591  1.00  0.00           C
ATOM     72  CE2 TYR A   5      -6.856  -7.268   4.552  1.00  0.00           C
ATOM     73  CZ  TYR A   5      -7.812  -7.901   3.794  1.00  0.00           C
ATOM     74  OH  TYR A   5      -9.116  -7.954   4.244  1.00  0.00           O
ATOM      0  H   TYR A   5      -4.521  -5.459   0.231  1.00  0.00           H   new
ATOM      0  HA  TYR A   5      -3.789  -5.630   2.258  1.00  0.00           H   new
ATOM      0  HB2 TYR A   5      -3.571  -8.600   1.771  1.00  0.00           H   new
ATOM      0  HB3 TYR A   5      -3.098  -7.859   3.287  1.00  0.00           H   new
ATOM      0  HD1 TYR A   5      -5.910  -8.881   1.205  1.00  0.00           H   new
ATOM      0  HD2 TYR A   5      -4.807  -6.724   4.706  1.00  0.00           H   new
ATOM      0  HE1 TYR A   5      -8.229  -8.978   1.998  1.00  0.00           H   new
ATOM      0  HE2 TYR A   5      -7.124  -6.811   5.493  1.00  0.00           H   new
ATOM      0  HH  TYR A   5      -9.182  -7.497   5.109  1.00  0.00           H   new
ATOM     84  N   GLY A   6      -1.386  -5.855   0.473  1.00  0.00           N
ATOM     85  CA  GLY A   6       0.010  -5.595   0.322  1.00  0.00           C
ATOM     86  C   GLY A   6       0.312  -4.147   0.593  1.00  0.00           C
ATOM     87  O   GLY A   6      -0.613  -3.330   0.721  1.00  0.00           O
ATOM      0  H   GLY A   6      -1.944  -5.692  -0.365  1.00  0.00           H   new
ATOM      0  HA2 GLY A   6       0.579  -6.225   1.006  1.00  0.00           H   new
ATOM      0  HA3 GLY A   6       0.327  -5.855  -0.688  1.00  0.00           H   new
ATOM     91  N   GLN A   7       1.569  -3.826   0.682  1.00  0.00           N
ATOM     92  CA  GLN A   7       2.005  -2.480   0.937  1.00  0.00           C
ATOM     93  C   GLN A   7       2.219  -1.737  -0.361  1.00  0.00           C
ATOM     94  O   GLN A   7       3.182  -1.992  -1.062  1.00  0.00           O
ATOM     95  CB  GLN A   7       3.294  -2.501   1.740  1.00  0.00           C
ATOM     96  CG  GLN A   7       3.848  -1.125   2.065  1.00  0.00           C
ATOM     97  CD  GLN A   7       5.096  -1.181   2.900  1.00  0.00           C
ATOM     98  OE1 GLN A   7       5.297  -2.097   3.678  1.00  0.00           O
ATOM     99  NE2 GLN A   7       5.924  -0.198   2.762  1.00  0.00           N
ATOM      0  H   GLN A   7       2.331  -4.497   0.579  1.00  0.00           H   new
ATOM      0  HA  GLN A   7       1.233  -1.965   1.508  1.00  0.00           H   new
ATOM      0  HB2 GLN A   7       3.120  -3.039   2.672  1.00  0.00           H   new
ATOM      0  HB3 GLN A   7       4.046  -3.061   1.184  1.00  0.00           H   new
ATOM      0  HG2 GLN A   7       4.061  -0.596   1.136  1.00  0.00           H   new
ATOM      0  HG3 GLN A   7       3.089  -0.548   2.593  1.00  0.00           H   new
ATOM      0 HE21 GLN A   7       5.721   0.551   2.100  1.00  0.00           H   new
ATOM      0 HE22 GLN A   7       6.781  -0.171   3.315  1.00  0.00           H   new
ATOM    108  N   CYS A   8       1.310  -0.843  -0.679  1.00  0.00           N
ATOM    109  CA  CYS A   8       1.413  -0.038  -1.889  1.00  0.00           C
ATOM    110  C   CYS A   8       2.597   0.880  -1.868  1.00  0.00           C
ATOM    111  O   CYS A   8       3.444   0.832  -2.731  1.00  0.00           O
ATOM    112  CB  CYS A   8       0.155   0.777  -2.111  1.00  0.00           C
ATOM    113  SG  CYS A   8      -0.637   1.408  -0.599  1.00  0.00           S
ATOM      0  H   CYS A   8       0.482  -0.650  -0.115  1.00  0.00           H   new
ATOM      0  HA  CYS A   8       1.543  -0.742  -2.711  1.00  0.00           H   new
ATOM      0  HB2 CYS A   8       0.398   1.623  -2.755  1.00  0.00           H   new
ATOM      0  HB3 CYS A   8      -0.566   0.163  -2.650  1.00  0.00           H   new
ATOM    118  N   GLY A   9       2.675   1.703  -0.879  1.00  0.00           N
ATOM    119  CA  GLY A   9       3.729   2.635  -0.878  1.00  0.00           C
ATOM    120  C   GLY A   9       3.600   3.662   0.173  1.00  0.00           C
ATOM    121  O   GLY A   9       2.735   4.540   0.110  1.00  0.00           O
ATOM      0  H   GLY A   9       2.037   1.745  -0.085  1.00  0.00           H   new
ATOM      0  HA2 GLY A   9       4.672   2.106  -0.745  1.00  0.00           H   new
ATOM      0  HA3 GLY A   9       3.773   3.124  -1.851  1.00  0.00           H   new
ATOM    125  N   GLY A  10       4.405   3.529   1.159  1.00  0.00           N
ATOM    126  CA  GLY A  10       4.512   4.519   2.167  1.00  0.00           C
ATOM    127  C   GLY A  10       5.866   5.176   1.965  1.00  0.00           C
ATOM    128  O   GLY A  10       6.491   4.963   0.912  1.00  0.00           O
ATOM      0  H   GLY A  10       5.015   2.723   1.292  1.00  0.00           H   new
ATOM      0  HA2 GLY A  10       3.707   5.250   2.084  1.00  0.00           H   new
ATOM      0  HA3 GLY A  10       4.438   4.075   3.160  1.00  0.00           H   new
ATOM    132  N   ILE A  11       6.342   5.912   2.926  1.00  0.00           N
ATOM    133  CA  ILE A  11       7.660   6.524   2.836  1.00  0.00           C
ATOM    134  C   ILE A  11       8.751   5.441   2.804  1.00  0.00           C
ATOM    135  O   ILE A  11       8.930   4.684   3.763  1.00  0.00           O
ATOM    136  CB  ILE A  11       7.913   7.507   4.017  1.00  0.00           C
ATOM    137  CG1 ILE A  11       6.882   8.646   3.985  1.00  0.00           C
ATOM    138  CG2 ILE A  11       9.340   8.071   3.966  1.00  0.00           C
ATOM    139  CD1 ILE A  11       6.978   9.601   5.156  1.00  0.00           C
ATOM      0  H   ILE A  11       5.842   6.111   3.793  1.00  0.00           H   new
ATOM      0  HA  ILE A  11       7.699   7.096   1.909  1.00  0.00           H   new
ATOM      0  HB  ILE A  11       7.802   6.958   4.952  1.00  0.00           H   new
ATOM      0 HG12 ILE A  11       7.007   9.209   3.060  1.00  0.00           H   new
ATOM      0 HG13 ILE A  11       5.881   8.215   3.963  1.00  0.00           H   new
ATOM      0 HG21 ILE A  11       9.491   8.755   4.801  1.00  0.00           H   new
ATOM      0 HG22 ILE A  11      10.057   7.253   4.032  1.00  0.00           H   new
ATOM      0 HG23 ILE A  11       9.486   8.607   3.028  1.00  0.00           H   new
ATOM      0 HD11 ILE A  11       6.216  10.375   5.058  1.00  0.00           H   new
ATOM      0 HD12 ILE A  11       6.822   9.054   6.086  1.00  0.00           H   new
ATOM      0 HD13 ILE A  11       7.965  10.063   5.169  1.00  0.00           H   new
ATOM    151  N   GLY A  12       9.418   5.329   1.679  1.00  0.00           N
ATOM    152  CA  GLY A  12      10.493   4.378   1.552  1.00  0.00           C
ATOM    153  C   GLY A  12      10.146   3.255   0.607  1.00  0.00           C
ATOM    154  O   GLY A  12      10.995   2.440   0.252  1.00  0.00           O
ATOM      0  H   GLY A  12       9.235   5.883   0.842  1.00  0.00           H   new
ATOM      0  HA2 GLY A  12      11.388   4.888   1.196  1.00  0.00           H   new
ATOM      0  HA3 GLY A  12      10.730   3.966   2.533  1.00  0.00           H   new
ATOM    158  N   TYR A  13       8.910   3.202   0.204  1.00  0.00           N
ATOM    159  CA  TYR A  13       8.472   2.186  -0.716  1.00  0.00           C
ATOM    160  C   TYR A  13       8.097   2.881  -2.015  1.00  0.00           C
ATOM    161  O   TYR A  13       7.159   3.674  -2.050  1.00  0.00           O
ATOM    162  CB  TYR A  13       7.277   1.420  -0.124  1.00  0.00           C
ATOM    163  CG  TYR A  13       6.865   0.153  -0.875  1.00  0.00           C
ATOM    164  CD1 TYR A  13       6.932  -1.088  -0.256  1.00  0.00           C
ATOM    165  CD2 TYR A  13       6.417   0.195  -2.186  1.00  0.00           C
ATOM    166  CE1 TYR A  13       6.563  -2.240  -0.920  1.00  0.00           C
ATOM    167  CE2 TYR A  13       6.048  -0.948  -2.855  1.00  0.00           C
ATOM    168  CZ  TYR A  13       6.118  -2.162  -2.219  1.00  0.00           C
ATOM    169  OH  TYR A  13       5.758  -3.310  -2.895  1.00  0.00           O
ATOM      0  H   TYR A  13       8.182   3.853   0.498  1.00  0.00           H   new
ATOM      0  HA  TYR A  13       9.261   1.457  -0.902  1.00  0.00           H   new
ATOM      0  HB2 TYR A  13       7.516   1.149   0.905  1.00  0.00           H   new
ATOM      0  HB3 TYR A  13       6.420   2.093  -0.086  1.00  0.00           H   new
ATOM      0  HD1 TYR A  13       7.279  -1.153   0.765  1.00  0.00           H   new
ATOM      0  HD2 TYR A  13       6.356   1.147  -2.693  1.00  0.00           H   new
ATOM      0  HE1 TYR A  13       6.623  -3.197  -0.423  1.00  0.00           H   new
ATOM      0  HE2 TYR A  13       5.704  -0.891  -3.877  1.00  0.00           H   new
ATOM      0  HH  TYR A  13       4.881  -3.614  -2.580  1.00  0.00           H   new
ATOM    179  N   SER A  14       8.849   2.624  -3.045  1.00  0.00           N
ATOM    180  CA  SER A  14       8.655   3.264  -4.325  1.00  0.00           C
ATOM    181  C   SER A  14       8.491   2.245  -5.461  1.00  0.00           C
ATOM    182  O   SER A  14       8.566   2.592  -6.649  1.00  0.00           O
ATOM    183  CB  SER A  14       9.833   4.197  -4.568  1.00  0.00           C
ATOM    184  OG  SER A  14      11.042   3.595  -4.100  1.00  0.00           O
ATOM      0  H   SER A  14       9.623   1.959  -3.026  1.00  0.00           H   new
ATOM      0  HA  SER A  14       7.727   3.836  -4.309  1.00  0.00           H   new
ATOM      0  HB2 SER A  14       9.917   4.420  -5.632  1.00  0.00           H   new
ATOM      0  HB3 SER A  14       9.668   5.145  -4.056  1.00  0.00           H   new
ATOM      0  HG  SER A  14      11.794   4.202  -4.262  1.00  0.00           H   new
ATOM    190  N   GLY A  15       8.247   1.003  -5.094  1.00  0.00           N
ATOM    191  CA  GLY A  15       8.045  -0.050  -6.072  1.00  0.00           C
ATOM    192  C   GLY A  15       6.620  -0.048  -6.603  1.00  0.00           C
ATOM    193  O   GLY A  15       6.170   0.970  -7.139  1.00  0.00           O
ATOM      0  H   GLY A  15       8.183   0.696  -4.123  1.00  0.00           H   new
ATOM      0  HA2 GLY A  15       8.743   0.080  -6.899  1.00  0.00           H   new
ATOM      0  HA3 GLY A  15       8.265  -1.017  -5.619  1.00  0.00           H   new
ATOM    197  N   PRO A  16       5.896  -1.176  -6.503  1.00  0.00           N
ATOM    198  CA  PRO A  16       4.476  -1.269  -6.882  1.00  0.00           C
ATOM    199  C   PRO A  16       3.586  -0.422  -5.967  1.00  0.00           C
ATOM    200  O   PRO A  16       2.988  -0.922  -5.025  1.00  0.00           O
ATOM    201  CB  PRO A  16       4.156  -2.762  -6.709  1.00  0.00           C
ATOM    202  CG  PRO A  16       5.480  -3.428  -6.723  1.00  0.00           C
ATOM    203  CD  PRO A  16       6.407  -2.474  -6.058  1.00  0.00           C
ATOM      0  HA  PRO A  16       4.293  -0.898  -7.891  1.00  0.00           H   new
ATOM      0  HB2 PRO A  16       3.627  -2.949  -5.774  1.00  0.00           H   new
ATOM      0  HB3 PRO A  16       3.519  -3.128  -7.514  1.00  0.00           H   new
ATOM      0  HG2 PRO A  16       5.447  -4.379  -6.192  1.00  0.00           H   new
ATOM      0  HG3 PRO A  16       5.801  -3.643  -7.742  1.00  0.00           H   new
ATOM      0  HD2 PRO A  16       6.380  -2.571  -4.973  1.00  0.00           H   new
ATOM      0  HD3 PRO A  16       7.441  -2.631  -6.366  1.00  0.00           H   new
ATOM    211  N   THR A  17       3.540   0.860  -6.253  1.00  0.00           N
ATOM    212  CA  THR A  17       2.793   1.817  -5.475  1.00  0.00           C
ATOM    213  C   THR A  17       1.337   1.852  -5.900  1.00  0.00           C
ATOM    214  O   THR A  17       0.463   2.422  -5.214  1.00  0.00           O
ATOM    215  CB  THR A  17       3.447   3.207  -5.581  1.00  0.00           C
ATOM    216  OG1 THR A  17       3.744   3.497  -6.966  1.00  0.00           O
ATOM    217  CG2 THR A  17       4.738   3.248  -4.776  1.00  0.00           C
ATOM      0  H   THR A  17       4.030   1.272  -7.047  1.00  0.00           H   new
ATOM      0  HA  THR A  17       2.813   1.509  -4.430  1.00  0.00           H   new
ATOM      0  HB  THR A  17       2.755   3.950  -5.185  1.00  0.00           H   new
ATOM      0  HG1 THR A  17       4.159   4.382  -7.033  1.00  0.00           H   new
ATOM      0 HG21 THR A  17       5.188   4.237  -4.861  1.00  0.00           H   new
ATOM      0 HG22 THR A  17       4.521   3.037  -3.729  1.00  0.00           H   new
ATOM      0 HG23 THR A  17       5.431   2.500  -5.161  1.00  0.00           H   new
ATOM    225  N   VAL A  18       1.080   1.234  -7.021  1.00  0.00           N
ATOM    226  CA  VAL A  18      -0.238   1.106  -7.541  1.00  0.00           C
ATOM    227  C   VAL A  18      -0.801  -0.207  -7.048  1.00  0.00           C
ATOM    228  O   VAL A  18      -0.111  -1.241  -7.082  1.00  0.00           O
ATOM    229  CB  VAL A  18      -0.237   1.140  -9.091  1.00  0.00           C
ATOM    230  CG1 VAL A  18      -1.652   1.014  -9.651  1.00  0.00           C
ATOM    231  CG2 VAL A  18       0.415   2.423  -9.586  1.00  0.00           C
ATOM      0  H   VAL A  18       1.798   0.801  -7.602  1.00  0.00           H   new
ATOM      0  HA  VAL A  18      -0.850   1.941  -7.201  1.00  0.00           H   new
ATOM      0  HB  VAL A  18       0.340   0.286  -9.447  1.00  0.00           H   new
ATOM      0 HG11 VAL A  18      -1.616   1.041 -10.740  1.00  0.00           H   new
ATOM      0 HG12 VAL A  18      -2.089   0.070  -9.326  1.00  0.00           H   new
ATOM      0 HG13 VAL A  18      -2.262   1.841  -9.287  1.00  0.00           H   new
ATOM      0 HG21 VAL A  18       0.410   2.436 -10.676  1.00  0.00           H   new
ATOM      0 HG22 VAL A  18      -0.141   3.282  -9.210  1.00  0.00           H   new
ATOM      0 HG23 VAL A  18       1.443   2.471  -9.227  1.00  0.00           H   new
ATOM    241  N   CYS A  19      -2.000  -0.168  -6.557  1.00  0.00           N
ATOM    242  CA  CYS A  19      -2.646  -1.343  -6.055  1.00  0.00           C
ATOM    243  C   CYS A  19      -3.432  -2.019  -7.150  1.00  0.00           C
ATOM    244  O   CYS A  19      -3.679  -1.428  -8.223  1.00  0.00           O
ATOM    245  CB  CYS A  19      -3.575  -0.985  -4.902  1.00  0.00           C
ATOM    246  SG  CYS A  19      -2.736  -0.227  -3.485  1.00  0.00           S
ATOM      0  H   CYS A  19      -2.561   0.681  -6.492  1.00  0.00           H   new
ATOM      0  HA  CYS A  19      -1.879  -2.028  -5.694  1.00  0.00           H   new
ATOM      0  HB2 CYS A  19      -4.341  -0.301  -5.266  1.00  0.00           H   new
ATOM      0  HB3 CYS A  19      -4.087  -1.888  -4.568  1.00  0.00           H   new
ATOM    251  N   ALA A  20      -3.774  -3.263  -6.908  1.00  0.00           N
ATOM    252  CA  ALA A  20      -4.618  -4.019  -7.791  1.00  0.00           C
ATOM    253  C   ALA A  20      -5.964  -3.318  -7.936  1.00  0.00           C
ATOM    254  O   ALA A  20      -6.491  -2.745  -6.957  1.00  0.00           O
ATOM    255  CB  ALA A  20      -4.804  -5.430  -7.257  1.00  0.00           C
ATOM      0  H   ALA A  20      -3.469  -3.780  -6.083  1.00  0.00           H   new
ATOM      0  HA  ALA A  20      -4.147  -4.084  -8.772  1.00  0.00           H   new
ATOM      0  HB1 ALA A  20      -5.445  -5.994  -7.934  1.00  0.00           H   new
ATOM      0  HB2 ALA A  20      -3.834  -5.922  -7.182  1.00  0.00           H   new
ATOM      0  HB3 ALA A  20      -5.266  -5.388  -6.271  1.00  0.00           H   new
ATOM    261  N   SER A  21      -6.490  -3.344  -9.136  1.00  0.00           N
ATOM    262  CA  SER A  21      -7.737  -2.703  -9.479  1.00  0.00           C
ATOM    263  C   SER A  21      -8.859  -3.157  -8.535  1.00  0.00           C
ATOM    264  O   SER A  21      -9.236  -4.344  -8.514  1.00  0.00           O
ATOM    265  CB  SER A  21      -8.077  -3.018 -10.954  1.00  0.00           C
ATOM    266  OG  SER A  21      -9.248  -2.348 -11.400  1.00  0.00           O
ATOM      0  H   SER A  21      -6.052  -3.824  -9.922  1.00  0.00           H   new
ATOM      0  HA  SER A  21      -7.638  -1.624  -9.363  1.00  0.00           H   new
ATOM      0  HB2 SER A  21      -7.236  -2.732 -11.586  1.00  0.00           H   new
ATOM      0  HB3 SER A  21      -8.212  -4.093 -11.070  1.00  0.00           H   new
ATOM      0  HG  SER A  21      -9.419  -2.578 -12.337  1.00  0.00           H   new
ATOM    272  N   GLY A  22      -9.362  -2.218  -7.753  1.00  0.00           N
ATOM    273  CA  GLY A  22     -10.414  -2.509  -6.816  1.00  0.00           C
ATOM    274  C   GLY A  22      -9.962  -2.430  -5.374  1.00  0.00           C
ATOM    275  O   GLY A  22     -10.786  -2.477  -4.455  1.00  0.00           O
ATOM      0  H   GLY A  22      -9.052  -1.246  -7.754  1.00  0.00           H   new
ATOM      0  HA2 GLY A  22     -11.235  -1.810  -6.972  1.00  0.00           H   new
ATOM      0  HA3 GLY A  22     -10.803  -3.508  -7.014  1.00  0.00           H   new
ATOM    279  N   THR A  23      -8.675  -2.316  -5.156  1.00  0.00           N
ATOM    280  CA  THR A  23      -8.166  -2.182  -3.812  1.00  0.00           C
ATOM    281  C   THR A  23      -7.602  -0.785  -3.632  1.00  0.00           C
ATOM    282  O   THR A  23      -6.923  -0.276  -4.521  1.00  0.00           O
ATOM    283  CB  THR A  23      -7.107  -3.271  -3.475  1.00  0.00           C
ATOM    284  OG1 THR A  23      -5.965  -3.179  -4.342  1.00  0.00           O
ATOM    285  CG2 THR A  23      -7.717  -4.652  -3.627  1.00  0.00           C
ATOM      0  H   THR A  23      -7.964  -2.313  -5.887  1.00  0.00           H   new
ATOM      0  HA  THR A  23      -8.988  -2.332  -3.112  1.00  0.00           H   new
ATOM      0  HB  THR A  23      -6.785  -3.108  -2.446  1.00  0.00           H   new
ATOM      0  HG1 THR A  23      -6.264  -3.152  -5.275  1.00  0.00           H   new
ATOM      0 HG21 THR A  23      -6.969  -5.408  -3.389  1.00  0.00           H   new
ATOM      0 HG22 THR A  23      -8.563  -4.753  -2.948  1.00  0.00           H   new
ATOM      0 HG23 THR A  23      -8.057  -4.788  -4.653  1.00  0.00           H   new
ATOM    293  N   THR A  24      -7.900  -0.153  -2.532  1.00  0.00           N
ATOM    294  CA  THR A  24      -7.473   1.207  -2.329  1.00  0.00           C
ATOM    295  C   THR A  24      -6.193   1.278  -1.532  1.00  0.00           C
ATOM    296  O   THR A  24      -6.048   0.590  -0.519  1.00  0.00           O
ATOM    297  CB  THR A  24      -8.570   2.050  -1.637  1.00  0.00           C
ATOM    298  OG1 THR A  24      -9.026   1.404  -0.427  1.00  0.00           O
ATOM    299  CG2 THR A  24      -9.744   2.273  -2.570  1.00  0.00           C
ATOM      0  H   THR A  24      -8.436  -0.554  -1.762  1.00  0.00           H   new
ATOM      0  HA  THR A  24      -7.286   1.625  -3.318  1.00  0.00           H   new
ATOM      0  HB  THR A  24      -8.135   3.016  -1.379  1.00  0.00           H   new
ATOM      0  HG1 THR A  24      -8.620   0.515  -0.358  1.00  0.00           H   new
ATOM      0 HG21 THR A  24     -10.504   2.868  -2.063  1.00  0.00           H   new
ATOM      0 HG22 THR A  24      -9.405   2.801  -3.462  1.00  0.00           H   new
ATOM      0 HG23 THR A  24     -10.168   1.311  -2.857  1.00  0.00           H   new
ATOM    307  N   CYS A  25      -5.254   2.064  -1.995  1.00  0.00           N
ATOM    308  CA  CYS A  25      -4.048   2.274  -1.248  1.00  0.00           C
ATOM    309  C   CYS A  25      -4.338   3.228  -0.126  1.00  0.00           C
ATOM    310  O   CYS A  25      -4.692   4.389  -0.353  1.00  0.00           O
ATOM    311  CB  CYS A  25      -2.911   2.817  -2.118  1.00  0.00           C
ATOM    312  SG  CYS A  25      -1.374   3.211  -1.186  1.00  0.00           S
ATOM      0  H   CYS A  25      -5.304   2.565  -2.882  1.00  0.00           H   new
ATOM      0  HA  CYS A  25      -3.715   1.312  -0.858  1.00  0.00           H   new
ATOM      0  HB2 CYS A  25      -2.677   2.084  -2.890  1.00  0.00           H   new
ATOM      0  HB3 CYS A  25      -3.255   3.717  -2.627  1.00  0.00           H   new
ATOM    317  N   GLN A  26      -4.265   2.744   1.058  1.00  0.00           N
ATOM    318  CA  GLN A  26      -4.495   3.537   2.214  1.00  0.00           C
ATOM    319  C   GLN A  26      -3.212   3.632   3.000  1.00  0.00           C
ATOM    320  O   GLN A  26      -2.662   2.611   3.436  1.00  0.00           O
ATOM    321  CB  GLN A  26      -5.614   2.923   3.050  1.00  0.00           C
ATOM    322  CG  GLN A  26      -6.943   2.832   2.302  1.00  0.00           C
ATOM    323  CD  GLN A  26      -8.013   2.115   3.085  1.00  0.00           C
ATOM    324  OE1 GLN A  26      -8.027   2.140   4.316  1.00  0.00           O
ATOM    325  NE2 GLN A  26      -8.920   1.482   2.391  1.00  0.00           N
ATOM      0  H   GLN A  26      -4.040   1.769   1.258  1.00  0.00           H   new
ATOM      0  HA  GLN A  26      -4.808   4.541   1.928  1.00  0.00           H   new
ATOM      0  HB2 GLN A  26      -5.315   1.925   3.369  1.00  0.00           H   new
ATOM      0  HB3 GLN A  26      -5.753   3.518   3.953  1.00  0.00           H   new
ATOM      0  HG2 GLN A  26      -7.288   3.838   2.063  1.00  0.00           H   new
ATOM      0  HG3 GLN A  26      -6.786   2.315   1.355  1.00  0.00           H   new
ATOM      0 HE21 GLN A  26      -8.876   1.484   1.372  1.00  0.00           H   new
ATOM      0 HE22 GLN A  26      -9.673   0.986   2.868  1.00  0.00           H   new
ATOM    334  N   VAL A  27      -2.700   4.829   3.128  1.00  0.00           N
ATOM    335  CA  VAL A  27      -1.494   5.053   3.883  1.00  0.00           C
ATOM    336  C   VAL A  27      -1.884   5.076   5.359  1.00  0.00           C
ATOM    337  O   VAL A  27      -2.507   6.034   5.838  1.00  0.00           O
ATOM    338  CB  VAL A  27      -0.768   6.374   3.446  1.00  0.00           C
ATOM    339  CG1 VAL A  27       0.545   6.562   4.172  1.00  0.00           C
ATOM    340  CG2 VAL A  27      -0.558   6.406   1.933  1.00  0.00           C
ATOM      0  H   VAL A  27      -3.103   5.670   2.715  1.00  0.00           H   new
ATOM      0  HA  VAL A  27      -0.776   4.254   3.696  1.00  0.00           H   new
ATOM      0  HB  VAL A  27      -1.416   7.205   3.723  1.00  0.00           H   new
ATOM      0 HG11 VAL A  27       1.015   7.488   3.840  1.00  0.00           H   new
ATOM      0 HG12 VAL A  27       0.363   6.612   5.246  1.00  0.00           H   new
ATOM      0 HG13 VAL A  27       1.205   5.722   3.954  1.00  0.00           H   new
ATOM      0 HG21 VAL A  27      -0.053   7.331   1.655  1.00  0.00           H   new
ATOM      0 HG22 VAL A  27       0.053   5.555   1.632  1.00  0.00           H   new
ATOM      0 HG23 VAL A  27      -1.524   6.355   1.430  1.00  0.00           H   new
ATOM    350  N   LEU A  28      -1.598   3.983   6.041  1.00  0.00           N
ATOM    351  CA  LEU A  28      -2.019   3.792   7.428  1.00  0.00           C
ATOM    352  C   LEU A  28      -1.058   4.499   8.346  1.00  0.00           C
ATOM    353  O   LEU A  28      -1.442   5.258   9.240  1.00  0.00           O
ATOM    354  CB  LEU A  28      -2.041   2.289   7.778  1.00  0.00           C
ATOM    355  CG  LEU A  28      -2.839   1.364   6.845  1.00  0.00           C
ATOM    356  CD1 LEU A  28      -2.787  -0.069   7.345  1.00  0.00           C
ATOM    357  CD2 LEU A  28      -4.277   1.820   6.719  1.00  0.00           C
ATOM      0  H   LEU A  28      -1.069   3.201   5.656  1.00  0.00           H   new
ATOM      0  HA  LEU A  28      -3.021   4.202   7.551  1.00  0.00           H   new
ATOM      0  HB2 LEU A  28      -1.011   1.933   7.807  1.00  0.00           H   new
ATOM      0  HB3 LEU A  28      -2.443   2.182   8.785  1.00  0.00           H   new
ATOM      0  HG  LEU A  28      -2.380   1.411   5.858  1.00  0.00           H   new
ATOM      0 HD11 LEU A  28      -3.357  -0.710   6.673  1.00  0.00           H   new
ATOM      0 HD12 LEU A  28      -1.751  -0.406   7.376  1.00  0.00           H   new
ATOM      0 HD13 LEU A  28      -3.216  -0.121   8.346  1.00  0.00           H   new
ATOM      0 HD21 LEU A  28      -4.815   1.146   6.053  1.00  0.00           H   new
ATOM      0 HD22 LEU A  28      -4.749   1.812   7.702  1.00  0.00           H   new
ATOM      0 HD23 LEU A  28      -4.304   2.831   6.312  1.00  0.00           H   new
ATOM    369  N   ASN A  29       0.182   4.256   8.100  1.00  0.00           N
ATOM    370  CA  ASN A  29       1.270   4.821   8.840  1.00  0.00           C
ATOM    371  C   ASN A  29       2.081   5.529   7.796  1.00  0.00           C
ATOM    372  O   ASN A  29       1.862   5.260   6.627  1.00  0.00           O
ATOM    373  CB  ASN A  29       2.124   3.714   9.474  1.00  0.00           C
ATOM    374  CG  ASN A  29       1.384   2.765  10.379  1.00  0.00           C
ATOM    375  OD1 ASN A  29       0.903   1.693   9.815  1.00  0.00           O   flip
ATOM    376  ND2 ASN A  29       1.263   2.980  11.586  1.00  0.00           N   flip
ATOM      0  H   ASN A  29       0.484   3.635   7.350  1.00  0.00           H   new
ATOM      0  HA  ASN A  29       0.930   5.470   9.647  1.00  0.00           H   new
ATOM      0  HB2 ASN A  29       2.592   3.138   8.676  1.00  0.00           H   new
ATOM      0  HB3 ASN A  29       2.928   4.180  10.044  1.00  0.00           H   new
ATOM      0 HD21 ASN A  29       1.652   3.830  11.994  1.00  0.00           H   new
ATOM      0 HD22 ASN A  29       0.774   2.308  12.177  1.00  0.00           H   new
ATOM    383  N   PRO A  30       3.045   6.390   8.135  1.00  0.00           N
ATOM    384  CA  PRO A  30       3.772   7.130   7.114  1.00  0.00           C
ATOM    385  C   PRO A  30       4.582   6.212   6.217  1.00  0.00           C
ATOM    386  O   PRO A  30       4.708   6.458   5.027  1.00  0.00           O
ATOM    387  CB  PRO A  30       4.704   8.043   7.898  1.00  0.00           C
ATOM    388  CG  PRO A  30       4.162   8.046   9.292  1.00  0.00           C
ATOM    389  CD  PRO A  30       3.535   6.702   9.485  1.00  0.00           C
ATOM      0  HA  PRO A  30       3.092   7.670   6.456  1.00  0.00           H   new
ATOM      0  HB2 PRO A  30       5.729   7.674   7.874  1.00  0.00           H   new
ATOM      0  HB3 PRO A  30       4.717   9.049   7.478  1.00  0.00           H   new
ATOM      0  HG2 PRO A  30       4.955   8.216  10.020  1.00  0.00           H   new
ATOM      0  HG3 PRO A  30       3.430   8.842   9.426  1.00  0.00           H   new
ATOM      0  HD2 PRO A  30       4.255   5.964   9.837  1.00  0.00           H   new
ATOM      0  HD3 PRO A  30       2.726   6.731  10.215  1.00  0.00           H   new
ATOM    397  N   TYR A  31       5.113   5.140   6.776  1.00  0.00           N
ATOM    398  CA  TYR A  31       5.930   4.253   5.992  1.00  0.00           C
ATOM    399  C   TYR A  31       5.132   3.023   5.561  1.00  0.00           C
ATOM    400  O   TYR A  31       5.449   2.397   4.549  1.00  0.00           O
ATOM    401  CB  TYR A  31       7.161   3.809   6.795  1.00  0.00           C
ATOM    402  CG  TYR A  31       7.971   4.938   7.413  1.00  0.00           C
ATOM    403  CD1 TYR A  31       9.015   5.516   6.724  1.00  0.00           C
ATOM    404  CD2 TYR A  31       7.698   5.410   8.698  1.00  0.00           C
ATOM    405  CE1 TYR A  31       9.770   6.522   7.278  1.00  0.00           C
ATOM    406  CE2 TYR A  31       8.450   6.420   9.255  1.00  0.00           C
ATOM    407  CZ  TYR A  31       9.485   6.968   8.542  1.00  0.00           C
ATOM    408  OH  TYR A  31      10.244   7.967   9.103  1.00  0.00           O
ATOM      0  H   TYR A  31       4.993   4.871   7.753  1.00  0.00           H   new
ATOM      0  HA  TYR A  31       6.256   4.793   5.103  1.00  0.00           H   new
ATOM      0  HB2 TYR A  31       6.834   3.140   7.591  1.00  0.00           H   new
ATOM      0  HB3 TYR A  31       7.813   3.231   6.140  1.00  0.00           H   new
ATOM      0  HD1 TYR A  31       9.245   5.171   5.727  1.00  0.00           H   new
ATOM      0  HD2 TYR A  31       6.886   4.977   9.263  1.00  0.00           H   new
ATOM      0  HE1 TYR A  31      10.584   6.959   6.719  1.00  0.00           H   new
ATOM      0  HE2 TYR A  31       8.226   6.779  10.249  1.00  0.00           H   new
ATOM      0  HH  TYR A  31       9.909   8.166  10.002  1.00  0.00           H   new
ATOM    418  N   TYR A  32       4.097   2.681   6.310  1.00  0.00           N
ATOM    419  CA  TYR A  32       3.272   1.539   5.953  1.00  0.00           C
ATOM    420  C   TYR A  32       1.938   1.952   5.340  1.00  0.00           C
ATOM    421  O   TYR A  32       1.065   2.507   6.024  1.00  0.00           O
ATOM    422  CB  TYR A  32       3.035   0.579   7.131  1.00  0.00           C
ATOM    423  CG  TYR A  32       2.312  -0.700   6.714  1.00  0.00           C
ATOM    424  CD1 TYR A  32       0.926  -0.836   6.850  1.00  0.00           C
ATOM    425  CD2 TYR A  32       3.017  -1.756   6.153  1.00  0.00           C
ATOM    426  CE1 TYR A  32       0.285  -1.988   6.438  1.00  0.00           C
ATOM    427  CE2 TYR A  32       2.379  -2.909   5.745  1.00  0.00           C
ATOM    428  CZ  TYR A  32       1.012  -3.018   5.887  1.00  0.00           C
ATOM    429  OH  TYR A  32       0.364  -4.165   5.462  1.00  0.00           O
ATOM      0  H   TYR A  32       3.810   3.170   7.158  1.00  0.00           H   new
ATOM      0  HA  TYR A  32       3.844   1.002   5.196  1.00  0.00           H   new
ATOM      0  HB2 TYR A  32       3.993   0.319   7.581  1.00  0.00           H   new
ATOM      0  HB3 TYR A  32       2.451   1.088   7.897  1.00  0.00           H   new
ATOM      0  HD1 TYR A  32       0.351  -0.031   7.282  1.00  0.00           H   new
ATOM      0  HD2 TYR A  32       4.087  -1.673   6.033  1.00  0.00           H   new
ATOM      0  HE1 TYR A  32      -0.785  -2.080   6.548  1.00  0.00           H   new
ATOM      0  HE2 TYR A  32       2.947  -3.722   5.317  1.00  0.00           H   new
ATOM      0  HH  TYR A  32       1.020  -4.795   5.096  1.00  0.00           H   new
ATOM    439  N   SER A  33       1.768   1.626   4.106  1.00  0.00           N
ATOM    440  CA  SER A  33       0.529   1.838   3.413  1.00  0.00           C
ATOM    441  C   SER A  33       0.035   0.471   2.982  1.00  0.00           C
ATOM    442  O   SER A  33       0.848  -0.429   2.818  1.00  0.00           O
ATOM    443  CB  SER A  33       0.781   2.719   2.206  1.00  0.00           C
ATOM    444  OG  SER A  33       1.460   3.893   2.587  1.00  0.00           O
ATOM      0  H   SER A  33       2.494   1.196   3.533  1.00  0.00           H   new
ATOM      0  HA  SER A  33      -0.212   2.331   4.043  1.00  0.00           H   new
ATOM      0  HB2 SER A  33       1.369   2.175   1.467  1.00  0.00           H   new
ATOM      0  HB3 SER A  33      -0.166   2.977   1.732  1.00  0.00           H   new
ATOM      0  HG  SER A  33       1.828   4.331   1.791  1.00  0.00           H   new
ATOM    450  N   GLN A  34      -1.245   0.289   2.818  1.00  0.00           N
ATOM    451  CA  GLN A  34      -1.748  -1.007   2.445  1.00  0.00           C
ATOM    452  C   GLN A  34      -2.877  -0.871   1.433  1.00  0.00           C
ATOM    453  O   GLN A  34      -3.596   0.121   1.436  1.00  0.00           O
ATOM    454  CB  GLN A  34      -2.216  -1.760   3.689  1.00  0.00           C
ATOM    455  CG  GLN A  34      -2.560  -3.214   3.447  1.00  0.00           C
ATOM    456  CD  GLN A  34      -2.974  -3.926   4.704  1.00  0.00           C
ATOM    457  OE1 GLN A  34      -3.541  -3.337   5.609  1.00  0.00           O
ATOM    458  NE2 GLN A  34      -2.659  -5.188   4.788  1.00  0.00           N
ATOM      0  H   GLN A  34      -1.955   1.012   2.935  1.00  0.00           H   new
ATOM      0  HA  GLN A  34      -0.946  -1.577   1.976  1.00  0.00           H   new
ATOM      0  HB2 GLN A  34      -1.435  -1.705   4.447  1.00  0.00           H   new
ATOM      0  HB3 GLN A  34      -3.092  -1.255   4.097  1.00  0.00           H   new
ATOM      0  HG2 GLN A  34      -3.366  -3.276   2.716  1.00  0.00           H   new
ATOM      0  HG3 GLN A  34      -1.697  -3.721   3.014  1.00  0.00           H   new
ATOM      0 HE21 GLN A  34      -2.185  -5.648   4.011  1.00  0.00           H   new
ATOM      0 HE22 GLN A  34      -2.887  -5.715   5.631  1.00  0.00           H   new
ATOM    467  N   CYS A  35      -2.991  -1.837   0.561  1.00  0.00           N
ATOM    468  CA  CYS A  35      -4.042  -1.869  -0.432  1.00  0.00           C
ATOM    469  C   CYS A  35      -5.233  -2.643   0.115  1.00  0.00           C
ATOM    470  O   CYS A  35      -5.176  -3.874   0.248  1.00  0.00           O
ATOM    471  CB  CYS A  35      -3.537  -2.550  -1.707  1.00  0.00           C
ATOM    472  SG  CYS A  35      -2.039  -1.802  -2.413  1.00  0.00           S
ATOM      0  H   CYS A  35      -2.354  -2.632   0.516  1.00  0.00           H   new
ATOM      0  HA  CYS A  35      -4.343  -0.848  -0.666  1.00  0.00           H   new
ATOM      0  HB2 CYS A  35      -3.337  -3.599  -1.489  1.00  0.00           H   new
ATOM      0  HB3 CYS A  35      -4.329  -2.525  -2.456  1.00  0.00           H   new
ATOM    477  N   LEU A  36      -6.277  -1.944   0.457  1.00  0.00           N
ATOM    478  CA  LEU A  36      -7.475  -2.551   0.976  1.00  0.00           C
ATOM    479  C   LEU A  36      -8.575  -2.387  -0.033  1.00  0.00           C
ATOM    480  O   LEU A  36      -8.969  -3.381  -0.661  1.00  0.00           O
ATOM    481  CB  LEU A  36      -7.912  -1.966   2.345  1.00  0.00           C
ATOM    482  CG  LEU A  36      -6.972  -2.172   3.552  1.00  0.00           C
ATOM    483  CD1 LEU A  36      -6.513  -3.617   3.681  1.00  0.00           C
ATOM    484  CD2 LEU A  36      -5.809  -1.197   3.549  1.00  0.00           C
ATOM    485  OXT LEU A  36      -8.999  -1.238  -0.271  1.00  0.00           O
ATOM      0  H   LEU A  36      -6.324  -0.928   0.384  1.00  0.00           H   new
ATOM      0  HA  LEU A  36      -7.263  -3.606   1.150  1.00  0.00           H   new
ATOM      0  HB2 LEU A  36      -8.063  -0.894   2.218  1.00  0.00           H   new
ATOM      0  HB3 LEU A  36      -8.881  -2.396   2.599  1.00  0.00           H   new
ATOM      0  HG  LEU A  36      -7.558  -1.950   4.444  1.00  0.00           H   new
ATOM      0 HD11 LEU A  36      -5.854  -3.714   4.544  1.00  0.00           H   new
ATOM      0 HD12 LEU A  36      -7.380  -4.264   3.813  1.00  0.00           H   new
ATOM      0 HD13 LEU A  36      -5.976  -3.910   2.779  1.00  0.00           H   new
ATOM      0 HD21 LEU A  36      -5.177  -1.382   4.417  1.00  0.00           H   new
ATOM      0 HD22 LEU A  36      -5.224  -1.331   2.639  1.00  0.00           H   new
ATOM      0 HD23 LEU A  36      -6.190  -0.176   3.588  1.00  0.00           H   new
TER     497      LEU A  36