USER  MOD reduce.3.24.130724 H: found=0, std=0, add=236, rem=0, adj=15
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=     1.1  K(o=1.1,f=-0.62)
USER  MOD Set 2.1: A  24 THR OG1 :   rot   -4:sc=    1.56
USER  MOD Set 2.2: A  26 GLN     :      amide:sc=  -0.961! K(o=0.6!,f=-0.43)
USER  MOD Set 3.1: A   2 GLN     :FLIP  amide:sc=  -0.164  F(o=-0.97,f=-0.45)
USER  MOD Set 3.2: A   3 SER OG  :   rot  180:sc=   0.131
USER  MOD Set 3.3: A  13 TYR OH  :   rot    0:sc=  -0.421
USER  MOD Single : A   1 THR N   :NH3+    150:sc=   0.353   (180deg=0.0483)
USER  MOD Single : A   1 THR OG1 :   rot  180:sc=   0.208
USER  MOD Single : A   4 HIS     :     no HD1:sc=   -1.42  K(o=-1.4,f=-2!)
USER  MOD Single : A   5 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A   7 GLN     :FLIP  amide:sc=  -0.296  F(o=-1.5,f=-0.3)
USER  MOD Single : A  14 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  17 THR OG1 :   rot  180:sc=  0.0621
USER  MOD Single : A  21 SER OG  :   rot  180:sc=  0.0244
USER  MOD Single : A  23 THR OG1 :   rot  -40:sc=   0.405
USER  MOD Single : A  29 ASN     :      amide:sc= -0.0446  X(o=-0.045,f=-0.17)
USER  MOD Single : A  31 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  33 SER OG  :   rot  163:sc=   -1.17
USER  MOD -----------------------------------------------------------------
ATOM      1  N   THR A   1       2.571  -4.982  -9.562  1.00  0.00           N
ATOM      2  CA  THR A   1       1.502  -4.198  -9.018  1.00  0.00           C
ATOM      3  C   THR A   1       1.068  -4.846  -7.707  1.00  0.00           C
ATOM      4  O   THR A   1       0.963  -6.079  -7.630  1.00  0.00           O
ATOM      5  CB  THR A   1       0.360  -4.171 -10.027  1.00  0.00           C
ATOM      6  OG1 THR A   1       0.924  -4.034 -11.361  1.00  0.00           O
ATOM      7  CG2 THR A   1      -0.540  -2.984  -9.760  1.00  0.00           C
ATOM      0  H1  THR A   1       2.555  -4.918 -10.600  1.00  0.00           H   new
ATOM      0  H2  THR A   1       3.480  -4.623  -9.207  1.00  0.00           H   new
ATOM      0  H3  THR A   1       2.455  -5.975  -9.274  1.00  0.00           H   new
ATOM      0  HA  THR A   1       1.812  -3.171  -8.822  1.00  0.00           H   new
ATOM      0  HB  THR A   1      -0.219  -5.091  -9.943  1.00  0.00           H   new
ATOM      0  HG1 THR A   1       0.201  -4.017 -12.022  1.00  0.00           H   new
ATOM      0 HG21 THR A   1      -1.353  -2.973 -10.486  1.00  0.00           H   new
ATOM      0 HG22 THR A   1      -0.953  -3.059  -8.754  1.00  0.00           H   new
ATOM      0 HG23 THR A   1       0.037  -2.063  -9.847  1.00  0.00           H   new
ATOM     17  N   GLN A   2       0.811  -4.041  -6.696  1.00  0.00           N
ATOM     18  CA  GLN A   2       0.597  -4.550  -5.361  1.00  0.00           C
ATOM     19  C   GLN A   2      -0.810  -5.117  -5.192  1.00  0.00           C
ATOM     20  O   GLN A   2      -1.808  -4.439  -5.448  1.00  0.00           O
ATOM     21  CB  GLN A   2       0.881  -3.448  -4.346  1.00  0.00           C
ATOM     22  CG  GLN A   2       1.013  -3.917  -2.906  1.00  0.00           C
ATOM     23  CD  GLN A   2       2.084  -4.989  -2.724  1.00  0.00           C
ATOM     24  OE1 GLN A   2       1.677  -6.230  -2.697  1.00  0.00           O   flip
ATOM     25  NE2 GLN A   2       3.262  -4.691  -2.536  1.00  0.00           N   flip
ATOM      0  H   GLN A   2       0.746  -3.026  -6.777  1.00  0.00           H   new
ATOM      0  HA  GLN A   2       1.287  -5.376  -5.188  1.00  0.00           H   new
ATOM      0  HB2 GLN A   2       1.802  -2.940  -4.632  1.00  0.00           H   new
ATOM      0  HB3 GLN A   2       0.080  -2.710  -4.400  1.00  0.00           H   new
ATOM      0  HG2 GLN A   2       1.250  -3.063  -2.272  1.00  0.00           H   new
ATOM      0  HG3 GLN A   2       0.054  -4.309  -2.568  1.00  0.00           H   new
ATOM      0 HE21 GLN A   2       3.551  -3.713  -2.563  1.00  0.00           H   new
ATOM      0 HE22 GLN A   2       3.950  -5.422  -2.353  1.00  0.00           H   new
ATOM     34  N   SER A   3      -0.864  -6.360  -4.788  1.00  0.00           N
ATOM     35  CA  SER A   3      -2.088  -7.076  -4.563  1.00  0.00           C
ATOM     36  C   SER A   3      -2.804  -6.630  -3.265  1.00  0.00           C
ATOM     37  O   SER A   3      -2.255  -5.849  -2.455  1.00  0.00           O
ATOM     38  CB  SER A   3      -1.739  -8.556  -4.541  1.00  0.00           C
ATOM     39  OG  SER A   3      -0.494  -8.749  -3.862  1.00  0.00           O
ATOM      0  H   SER A   3      -0.030  -6.917  -4.601  1.00  0.00           H   new
ATOM      0  HA  SER A   3      -2.798  -6.862  -5.362  1.00  0.00           H   new
ATOM      0  HB2 SER A   3      -2.528  -9.118  -4.041  1.00  0.00           H   new
ATOM      0  HB3 SER A   3      -1.672  -8.939  -5.559  1.00  0.00           H   new
ATOM      0  HG  SER A   3      -0.273  -9.704  -3.849  1.00  0.00           H   new
ATOM     45  N   HIS A   4      -4.022  -7.128  -3.077  1.00  0.00           N
ATOM     46  CA  HIS A   4      -4.860  -6.784  -1.939  1.00  0.00           C
ATOM     47  C   HIS A   4      -4.180  -7.227  -0.646  1.00  0.00           C
ATOM     48  O   HIS A   4      -3.675  -8.339  -0.560  1.00  0.00           O
ATOM     49  CB  HIS A   4      -6.233  -7.462  -2.094  1.00  0.00           C
ATOM     50  CG  HIS A   4      -7.329  -6.929  -1.219  1.00  0.00           C
ATOM     51  ND1 HIS A   4      -8.518  -7.574  -1.038  1.00  0.00           N
ATOM     52  CD2 HIS A   4      -7.444  -5.763  -0.565  1.00  0.00           C
ATOM     53  CE1 HIS A   4      -9.319  -6.825  -0.319  1.00  0.00           C
ATOM     54  NE2 HIS A   4      -8.686  -5.714  -0.019  1.00  0.00           N
ATOM      0  H   HIS A   4      -4.458  -7.789  -3.720  1.00  0.00           H   new
ATOM      0  HA  HIS A   4      -5.005  -5.704  -1.899  1.00  0.00           H   new
ATOM      0  HB2 HIS A   4      -6.547  -7.370  -3.134  1.00  0.00           H   new
ATOM      0  HB3 HIS A   4      -6.116  -8.526  -1.890  1.00  0.00           H   new
ATOM      0  HD2 HIS A   4      -6.684  -5.000  -0.487  1.00  0.00           H   new
ATOM      0  HE1 HIS A   4     -10.327  -7.078  -0.024  1.00  0.00           H   new
ATOM      0  HE2 HIS A   4      -9.064  -4.943   0.532  1.00  0.00           H   new
ATOM     63  N   TYR A   5      -4.154  -6.322   0.331  1.00  0.00           N
ATOM     64  CA  TYR A   5      -3.510  -6.505   1.644  1.00  0.00           C
ATOM     65  C   TYR A   5      -1.997  -6.414   1.564  1.00  0.00           C
ATOM     66  O   TYR A   5      -1.299  -6.655   2.553  1.00  0.00           O
ATOM     67  CB  TYR A   5      -3.959  -7.783   2.386  1.00  0.00           C
ATOM     68  CG  TYR A   5      -5.396  -7.757   2.847  1.00  0.00           C
ATOM     69  CD1 TYR A   5      -5.741  -7.179   4.063  1.00  0.00           C
ATOM     70  CD2 TYR A   5      -6.404  -8.313   2.081  1.00  0.00           C
ATOM     71  CE1 TYR A   5      -7.049  -7.159   4.498  1.00  0.00           C
ATOM     72  CE2 TYR A   5      -7.716  -8.292   2.507  1.00  0.00           C
ATOM     73  CZ  TYR A   5      -8.032  -7.715   3.716  1.00  0.00           C
ATOM     74  OH  TYR A   5      -9.339  -7.698   4.146  1.00  0.00           O
ATOM      0  H   TYR A   5      -4.594  -5.407   0.233  1.00  0.00           H   new
ATOM      0  HA  TYR A   5      -3.860  -5.667   2.247  1.00  0.00           H   new
ATOM      0  HB2 TYR A   5      -3.815  -8.641   1.729  1.00  0.00           H   new
ATOM      0  HB3 TYR A   5      -3.314  -7.933   3.252  1.00  0.00           H   new
ATOM      0  HD1 TYR A   5      -4.971  -6.738   4.678  1.00  0.00           H   new
ATOM      0  HD2 TYR A   5      -6.160  -8.771   1.134  1.00  0.00           H   new
ATOM      0  HE1 TYR A   5      -7.299  -6.709   5.447  1.00  0.00           H   new
ATOM      0  HE2 TYR A   5      -8.492  -8.727   1.894  1.00  0.00           H   new
ATOM      0  HH  TYR A   5      -9.909  -8.130   3.477  1.00  0.00           H   new
ATOM     84  N   GLY A   6      -1.498  -6.014   0.421  1.00  0.00           N
ATOM     85  CA  GLY A   6      -0.085  -5.808   0.263  1.00  0.00           C
ATOM     86  C   GLY A   6       0.270  -4.382   0.581  1.00  0.00           C
ATOM     87  O   GLY A   6      -0.630  -3.538   0.730  1.00  0.00           O
ATOM      0  H   GLY A   6      -2.053  -5.825  -0.414  1.00  0.00           H   new
ATOM      0  HA2 GLY A   6       0.464  -6.482   0.920  1.00  0.00           H   new
ATOM      0  HA3 GLY A   6       0.213  -6.046  -0.758  1.00  0.00           H   new
ATOM     91  N   GLN A   7       1.541  -4.093   0.686  1.00  0.00           N
ATOM     92  CA  GLN A   7       1.978  -2.756   1.005  1.00  0.00           C
ATOM     93  C   GLN A   7       2.162  -1.934  -0.257  1.00  0.00           C
ATOM     94  O   GLN A   7       3.120  -2.140  -0.985  1.00  0.00           O
ATOM     95  CB  GLN A   7       3.295  -2.768   1.801  1.00  0.00           C
ATOM     96  CG  GLN A   7       3.767  -1.361   2.178  1.00  0.00           C
ATOM     97  CD  GLN A   7       5.097  -1.309   2.883  1.00  0.00           C
ATOM     98  OE1 GLN A   7       5.796  -0.217   2.704  1.00  0.00           O   flip
ATOM     99  NE2 GLN A   7       5.476  -2.219   3.590  1.00  0.00           N   flip
ATOM      0  H   GLN A   7       2.295  -4.767   0.555  1.00  0.00           H   new
ATOM      0  HA  GLN A   7       1.202  -2.303   1.622  1.00  0.00           H   new
ATOM      0  HB2 GLN A   7       3.162  -3.358   2.708  1.00  0.00           H   new
ATOM      0  HB3 GLN A   7       4.068  -3.261   1.211  1.00  0.00           H   new
ATOM      0  HG2 GLN A   7       3.828  -0.758   1.272  1.00  0.00           H   new
ATOM      0  HG3 GLN A   7       3.014  -0.900   2.817  1.00  0.00           H   new
ATOM      0 HE21 GLN A   7       4.899  -3.053   3.701  1.00  0.00           H   new
ATOM      0 HE22 GLN A   7       6.372  -2.150   4.073  1.00  0.00           H   new
ATOM    108  N   CYS A   8       1.238  -1.017  -0.520  1.00  0.00           N
ATOM    109  CA  CYS A   8       1.376  -0.108  -1.664  1.00  0.00           C
ATOM    110  C   CYS A   8       2.528   0.824  -1.440  1.00  0.00           C
ATOM    111  O   CYS A   8       3.179   1.274  -2.373  1.00  0.00           O
ATOM    112  CB  CYS A   8       0.112   0.690  -1.903  1.00  0.00           C
ATOM    113  SG  CYS A   8      -0.664   1.353  -0.406  1.00  0.00           S
ATOM      0  H   CYS A   8       0.392  -0.880   0.033  1.00  0.00           H   new
ATOM      0  HA  CYS A   8       1.560  -0.716  -2.550  1.00  0.00           H   new
ATOM      0  HB2 CYS A   8       0.344   1.518  -2.572  1.00  0.00           H   new
ATOM      0  HB3 CYS A   8      -0.609   0.056  -2.418  1.00  0.00           H   new
ATOM    118  N   GLY A   9       2.762   1.140  -0.196  1.00  0.00           N
ATOM    119  CA  GLY A   9       3.906   1.880   0.109  1.00  0.00           C
ATOM    120  C   GLY A   9       3.672   3.239   0.642  1.00  0.00           C
ATOM    121  O   GLY A   9       2.867   4.014   0.117  1.00  0.00           O
ATOM      0  H   GLY A   9       2.172   0.891   0.598  1.00  0.00           H   new
ATOM      0  HA2 GLY A   9       4.493   1.321   0.837  1.00  0.00           H   new
ATOM      0  HA3 GLY A   9       4.512   1.964  -0.793  1.00  0.00           H   new
ATOM    125  N   GLY A  10       4.350   3.501   1.705  1.00  0.00           N
ATOM    126  CA  GLY A  10       4.384   4.772   2.309  1.00  0.00           C
ATOM    127  C   GLY A  10       5.706   5.414   1.926  1.00  0.00           C
ATOM    128  O   GLY A  10       6.303   5.043   0.891  1.00  0.00           O
ATOM      0  H   GLY A  10       4.915   2.804   2.190  1.00  0.00           H   new
ATOM      0  HA2 GLY A  10       3.547   5.382   1.970  1.00  0.00           H   new
ATOM      0  HA3 GLY A  10       4.297   4.686   3.392  1.00  0.00           H   new
ATOM    132  N   ILE A  11       6.168   6.345   2.720  1.00  0.00           N
ATOM    133  CA  ILE A  11       7.464   6.983   2.514  1.00  0.00           C
ATOM    134  C   ILE A  11       8.561   5.906   2.474  1.00  0.00           C
ATOM    135  O   ILE A  11       8.625   5.040   3.350  1.00  0.00           O
ATOM    136  CB  ILE A  11       7.774   7.981   3.665  1.00  0.00           C
ATOM    137  CG1 ILE A  11       6.657   9.021   3.776  1.00  0.00           C
ATOM    138  CG2 ILE A  11       9.130   8.663   3.448  1.00  0.00           C
ATOM    139  CD1 ILE A  11       6.773   9.927   4.980  1.00  0.00           C
ATOM      0  H   ILE A  11       5.661   6.691   3.535  1.00  0.00           H   new
ATOM      0  HA  ILE A  11       7.437   7.529   1.571  1.00  0.00           H   new
ATOM      0  HB  ILE A  11       7.826   7.423   4.600  1.00  0.00           H   new
ATOM      0 HG12 ILE A  11       6.654   9.633   2.874  1.00  0.00           H   new
ATOM      0 HG13 ILE A  11       5.698   8.505   3.814  1.00  0.00           H   new
ATOM      0 HG21 ILE A  11       9.324   9.356   4.266  1.00  0.00           H   new
ATOM      0 HG22 ILE A  11       9.916   7.908   3.418  1.00  0.00           H   new
ATOM      0 HG23 ILE A  11       9.116   9.210   2.505  1.00  0.00           H   new
ATOM      0 HD11 ILE A  11       5.944  10.634   4.984  1.00  0.00           H   new
ATOM      0 HD12 ILE A  11       6.744   9.328   5.890  1.00  0.00           H   new
ATOM      0 HD13 ILE A  11       7.715  10.473   4.935  1.00  0.00           H   new
ATOM    151  N   GLY A  12       9.363   5.924   1.436  1.00  0.00           N
ATOM    152  CA  GLY A  12      10.430   4.966   1.322  1.00  0.00           C
ATOM    153  C   GLY A  12      10.135   3.913   0.292  1.00  0.00           C
ATOM    154  O   GLY A  12      11.044   3.298  -0.258  1.00  0.00           O
ATOM      0  H   GLY A  12       9.296   6.588   0.664  1.00  0.00           H   new
ATOM      0  HA2 GLY A  12      11.353   5.482   1.059  1.00  0.00           H   new
ATOM      0  HA3 GLY A  12      10.595   4.491   2.289  1.00  0.00           H   new
ATOM    158  N   TYR A  13       8.880   3.710   0.013  1.00  0.00           N
ATOM    159  CA  TYR A  13       8.498   2.699  -0.934  1.00  0.00           C
ATOM    160  C   TYR A  13       8.478   3.337  -2.316  1.00  0.00           C
ATOM    161  O   TYR A  13       7.921   4.433  -2.498  1.00  0.00           O
ATOM    162  CB  TYR A  13       7.128   2.151  -0.564  1.00  0.00           C
ATOM    163  CG  TYR A  13       6.741   0.803  -1.176  1.00  0.00           C
ATOM    164  CD1 TYR A  13       6.714  -0.341  -0.387  1.00  0.00           C
ATOM    165  CD2 TYR A  13       6.371   0.681  -2.502  1.00  0.00           C
ATOM    166  CE1 TYR A  13       6.331  -1.561  -0.898  1.00  0.00           C
ATOM    167  CE2 TYR A  13       5.992  -0.542  -3.026  1.00  0.00           C
ATOM    168  CZ  TYR A  13       5.969  -1.659  -2.219  1.00  0.00           C
ATOM    169  OH  TYR A  13       5.583  -2.882  -2.737  1.00  0.00           O
ATOM      0  H   TYR A  13       8.105   4.229   0.425  1.00  0.00           H   new
ATOM      0  HA  TYR A  13       9.204   1.868  -0.928  1.00  0.00           H   new
ATOM      0  HB2 TYR A  13       7.080   2.059   0.521  1.00  0.00           H   new
ATOM      0  HB3 TYR A  13       6.377   2.886  -0.855  1.00  0.00           H   new
ATOM      0  HD1 TYR A  13       7.000  -0.271   0.652  1.00  0.00           H   new
ATOM      0  HD2 TYR A  13       6.378   1.553  -3.139  1.00  0.00           H   new
ATOM      0  HE1 TYR A  13       6.315  -2.435  -0.264  1.00  0.00           H   new
ATOM      0  HE2 TYR A  13       5.714  -0.621  -4.067  1.00  0.00           H   new
ATOM      0  HH  TYR A  13       5.625  -3.563  -2.034  1.00  0.00           H   new
ATOM    179  N   SER A  14       9.106   2.697  -3.257  1.00  0.00           N
ATOM    180  CA  SER A  14       9.199   3.204  -4.600  1.00  0.00           C
ATOM    181  C   SER A  14       8.986   2.085  -5.634  1.00  0.00           C
ATOM    182  O   SER A  14       9.279   2.239  -6.830  1.00  0.00           O
ATOM    183  CB  SER A  14      10.548   3.907  -4.768  1.00  0.00           C
ATOM    184  OG  SER A  14      11.605   3.111  -4.235  1.00  0.00           O
ATOM      0  H   SER A  14       9.573   1.801  -3.116  1.00  0.00           H   new
ATOM      0  HA  SER A  14       8.405   3.930  -4.777  1.00  0.00           H   new
ATOM      0  HB2 SER A  14      10.732   4.103  -5.824  1.00  0.00           H   new
ATOM      0  HB3 SER A  14      10.525   4.873  -4.264  1.00  0.00           H   new
ATOM      0  HG  SER A  14      12.458   3.578  -4.354  1.00  0.00           H   new
ATOM    190  N   GLY A  15       8.465   0.969  -5.164  1.00  0.00           N
ATOM    191  CA  GLY A  15       8.167  -0.144  -6.030  1.00  0.00           C
ATOM    192  C   GLY A  15       6.730  -0.093  -6.525  1.00  0.00           C
ATOM    193  O   GLY A  15       6.289   0.955  -7.036  1.00  0.00           O
ATOM      0  H   GLY A  15       8.240   0.813  -4.181  1.00  0.00           H   new
ATOM      0  HA2 GLY A  15       8.847  -0.137  -6.882  1.00  0.00           H   new
ATOM      0  HA3 GLY A  15       8.336  -1.079  -5.495  1.00  0.00           H   new
ATOM    197  N   PRO A  16       5.972  -1.205  -6.414  1.00  0.00           N
ATOM    198  CA  PRO A  16       4.549  -1.252  -6.780  1.00  0.00           C
ATOM    199  C   PRO A  16       3.687  -0.386  -5.864  1.00  0.00           C
ATOM    200  O   PRO A  16       3.132  -0.856  -4.882  1.00  0.00           O
ATOM    201  CB  PRO A  16       4.166  -2.731  -6.617  1.00  0.00           C
ATOM    202  CG  PRO A  16       5.459  -3.459  -6.584  1.00  0.00           C
ATOM    203  CD  PRO A  16       6.445  -2.521  -5.959  1.00  0.00           C
ATOM      0  HA  PRO A  16       4.386  -0.869  -7.787  1.00  0.00           H   new
ATOM      0  HB2 PRO A  16       3.598  -2.893  -5.701  1.00  0.00           H   new
ATOM      0  HB3 PRO A  16       3.542  -3.071  -7.444  1.00  0.00           H   new
ATOM      0  HG2 PRO A  16       5.374  -4.379  -6.005  1.00  0.00           H   new
ATOM      0  HG3 PRO A  16       5.773  -3.743  -7.589  1.00  0.00           H   new
ATOM      0  HD2 PRO A  16       6.444  -2.598  -4.872  1.00  0.00           H   new
ATOM      0  HD3 PRO A  16       7.463  -2.723  -6.292  1.00  0.00           H   new
ATOM    211  N   THR A  17       3.620   0.881  -6.185  1.00  0.00           N
ATOM    212  CA  THR A  17       2.857   1.849  -5.438  1.00  0.00           C
ATOM    213  C   THR A  17       1.411   1.917  -5.947  1.00  0.00           C
ATOM    214  O   THR A  17       0.577   2.716  -5.477  1.00  0.00           O
ATOM    215  CB  THR A  17       3.553   3.208  -5.560  1.00  0.00           C
ATOM    216  OG1 THR A  17       4.025   3.370  -6.926  1.00  0.00           O
ATOM    217  CG2 THR A  17       4.735   3.292  -4.609  1.00  0.00           C
ATOM      0  H   THR A  17       4.105   1.277  -6.990  1.00  0.00           H   new
ATOM      0  HA  THR A  17       2.810   1.556  -4.389  1.00  0.00           H   new
ATOM      0  HB  THR A  17       2.844   3.996  -5.304  1.00  0.00           H   new
ATOM      0  HG1 THR A  17       4.471   4.238  -7.017  1.00  0.00           H   new
ATOM      0 HG21 THR A  17       5.216   4.265  -4.711  1.00  0.00           H   new
ATOM      0 HG22 THR A  17       4.387   3.165  -3.584  1.00  0.00           H   new
ATOM      0 HG23 THR A  17       5.451   2.506  -4.849  1.00  0.00           H   new
ATOM    225  N   VAL A  18       1.130   1.074  -6.905  1.00  0.00           N
ATOM    226  CA  VAL A  18      -0.164   0.968  -7.493  1.00  0.00           C
ATOM    227  C   VAL A  18      -0.800  -0.309  -6.977  1.00  0.00           C
ATOM    228  O   VAL A  18      -0.175  -1.382  -7.033  1.00  0.00           O
ATOM    229  CB  VAL A  18      -0.074   0.908  -9.047  1.00  0.00           C
ATOM    230  CG1 VAL A  18      -1.463   0.858  -9.676  1.00  0.00           C
ATOM    231  CG2 VAL A  18       0.716   2.090  -9.594  1.00  0.00           C
ATOM      0  H   VAL A  18       1.815   0.431  -7.302  1.00  0.00           H   new
ATOM      0  HA  VAL A  18      -0.757   1.843  -7.227  1.00  0.00           H   new
ATOM      0  HB  VAL A  18       0.453  -0.008  -9.312  1.00  0.00           H   new
ATOM      0 HG11 VAL A  18      -1.370   0.817 -10.761  1.00  0.00           H   new
ATOM      0 HG12 VAL A  18      -1.991  -0.028  -9.323  1.00  0.00           H   new
ATOM      0 HG13 VAL A  18      -2.023   1.750  -9.394  1.00  0.00           H   new
ATOM      0 HG21 VAL A  18       0.764   2.024 -10.681  1.00  0.00           H   new
ATOM      0 HG22 VAL A  18       0.224   3.020  -9.308  1.00  0.00           H   new
ATOM      0 HG23 VAL A  18       1.726   2.073  -9.185  1.00  0.00           H   new
ATOM    241  N   CYS A  19      -1.982  -0.193  -6.449  1.00  0.00           N
ATOM    242  CA  CYS A  19      -2.714  -1.332  -5.966  1.00  0.00           C
ATOM    243  C   CYS A  19      -3.520  -1.932  -7.096  1.00  0.00           C
ATOM    244  O   CYS A  19      -3.862  -1.231  -8.064  1.00  0.00           O
ATOM    245  CB  CYS A  19      -3.641  -0.925  -4.821  1.00  0.00           C
ATOM    246  SG  CYS A  19      -2.778  -0.232  -3.378  1.00  0.00           S
ATOM      0  H   CYS A  19      -2.470   0.696  -6.340  1.00  0.00           H   new
ATOM      0  HA  CYS A  19      -2.008  -2.073  -5.592  1.00  0.00           H   new
ATOM      0  HB2 CYS A  19      -4.356  -0.190  -5.191  1.00  0.00           H   new
ATOM      0  HB3 CYS A  19      -4.214  -1.796  -4.504  1.00  0.00           H   new
ATOM    251  N   ALA A  20      -3.785  -3.217  -6.998  1.00  0.00           N
ATOM    252  CA  ALA A  20      -4.574  -3.932  -7.979  1.00  0.00           C
ATOM    253  C   ALA A  20      -5.975  -3.325  -8.114  1.00  0.00           C
ATOM    254  O   ALA A  20      -6.490  -2.691  -7.165  1.00  0.00           O
ATOM    255  CB  ALA A  20      -4.660  -5.401  -7.607  1.00  0.00           C
ATOM      0  H   ALA A  20      -3.456  -3.800  -6.229  1.00  0.00           H   new
ATOM      0  HA  ALA A  20      -4.080  -3.842  -8.947  1.00  0.00           H   new
ATOM      0  HB1 ALA A  20      -5.255  -5.930  -8.351  1.00  0.00           H   new
ATOM      0  HB2 ALA A  20      -3.657  -5.827  -7.574  1.00  0.00           H   new
ATOM      0  HB3 ALA A  20      -5.129  -5.502  -6.628  1.00  0.00           H   new
ATOM    261  N   SER A  21      -6.568  -3.520  -9.278  1.00  0.00           N
ATOM    262  CA  SER A  21      -7.867  -2.984  -9.640  1.00  0.00           C
ATOM    263  C   SER A  21      -8.925  -3.258  -8.560  1.00  0.00           C
ATOM    264  O   SER A  21      -9.223  -4.420  -8.248  1.00  0.00           O
ATOM    265  CB  SER A  21      -8.299  -3.641 -10.942  1.00  0.00           C
ATOM    266  OG  SER A  21      -7.254  -3.587 -11.906  1.00  0.00           O
ATOM      0  H   SER A  21      -6.144  -4.074 -10.022  1.00  0.00           H   new
ATOM      0  HA  SER A  21      -7.782  -1.903  -9.746  1.00  0.00           H   new
ATOM      0  HB2 SER A  21      -8.576  -4.679 -10.757  1.00  0.00           H   new
ATOM      0  HB3 SER A  21      -9.185  -3.140 -11.331  1.00  0.00           H   new
ATOM      0  HG  SER A  21      -7.551  -4.016 -12.735  1.00  0.00           H   new
ATOM    272  N   GLY A  22      -9.441  -2.204  -7.969  1.00  0.00           N
ATOM    273  CA  GLY A  22     -10.501  -2.353  -7.014  1.00  0.00           C
ATOM    274  C   GLY A  22     -10.046  -2.221  -5.584  1.00  0.00           C
ATOM    275  O   GLY A  22     -10.860  -2.299  -4.667  1.00  0.00           O
ATOM      0  H   GLY A  22      -9.142  -1.243  -8.135  1.00  0.00           H   new
ATOM      0  HA2 GLY A  22     -11.267  -1.604  -7.214  1.00  0.00           H   new
ATOM      0  HA3 GLY A  22     -10.967  -3.329  -7.150  1.00  0.00           H   new
ATOM    279  N   THR A  23      -8.769  -2.028  -5.368  1.00  0.00           N
ATOM    280  CA  THR A  23      -8.271  -1.870  -4.015  1.00  0.00           C
ATOM    281  C   THR A  23      -7.648  -0.490  -3.841  1.00  0.00           C
ATOM    282  O   THR A  23      -7.069   0.060  -4.795  1.00  0.00           O
ATOM    283  CB  THR A  23      -7.267  -2.990  -3.626  1.00  0.00           C
ATOM    284  OG1 THR A  23      -6.136  -2.995  -4.505  1.00  0.00           O
ATOM    285  CG2 THR A  23      -7.939  -4.352  -3.685  1.00  0.00           C
ATOM      0  H   THR A  23      -8.059  -1.976  -6.098  1.00  0.00           H   new
ATOM      0  HA  THR A  23      -9.120  -1.960  -3.337  1.00  0.00           H   new
ATOM      0  HB  THR A  23      -6.930  -2.789  -2.609  1.00  0.00           H   new
ATOM      0  HG1 THR A  23      -6.435  -2.828  -5.423  1.00  0.00           H   new
ATOM      0 HG21 THR A  23      -7.221  -5.124  -3.410  1.00  0.00           H   new
ATOM      0 HG22 THR A  23      -8.779  -4.374  -2.991  1.00  0.00           H   new
ATOM      0 HG23 THR A  23      -8.300  -4.536  -4.697  1.00  0.00           H   new
ATOM    293  N   THR A  24      -7.783   0.080  -2.662  1.00  0.00           N
ATOM    294  CA  THR A  24      -7.279   1.408  -2.415  1.00  0.00           C
ATOM    295  C   THR A  24      -6.029   1.393  -1.561  1.00  0.00           C
ATOM    296  O   THR A  24      -5.932   0.625  -0.605  1.00  0.00           O
ATOM    297  CB  THR A  24      -8.345   2.313  -1.750  1.00  0.00           C
ATOM    298  OG1 THR A  24      -8.910   1.685  -0.567  1.00  0.00           O
ATOM    299  CG2 THR A  24      -9.447   2.658  -2.730  1.00  0.00           C
ATOM      0  H   THR A  24      -8.238  -0.358  -1.861  1.00  0.00           H   new
ATOM      0  HA  THR A  24      -7.027   1.820  -3.392  1.00  0.00           H   new
ATOM      0  HB  THR A  24      -7.846   3.232  -1.444  1.00  0.00           H   new
ATOM      0  HG1 THR A  24      -8.538   0.784  -0.465  1.00  0.00           H   new
ATOM      0 HG21 THR A  24     -10.184   3.294  -2.240  1.00  0.00           H   new
ATOM      0 HG22 THR A  24      -9.022   3.186  -3.584  1.00  0.00           H   new
ATOM      0 HG23 THR A  24      -9.929   1.742  -3.073  1.00  0.00           H   new
ATOM    307  N   CYS A  25      -5.082   2.216  -1.911  1.00  0.00           N
ATOM    308  CA  CYS A  25      -3.893   2.370  -1.125  1.00  0.00           C
ATOM    309  C   CYS A  25      -4.208   3.263   0.035  1.00  0.00           C
ATOM    310  O   CYS A  25      -4.564   4.431  -0.138  1.00  0.00           O
ATOM    311  CB  CYS A  25      -2.738   2.960  -1.938  1.00  0.00           C
ATOM    312  SG  CYS A  25      -1.210   3.224  -0.967  1.00  0.00           S
ATOM      0  H   CYS A  25      -5.113   2.798  -2.748  1.00  0.00           H   new
ATOM      0  HA  CYS A  25      -3.572   1.386  -0.782  1.00  0.00           H   new
ATOM      0  HB2 CYS A  25      -2.517   2.295  -2.773  1.00  0.00           H   new
ATOM      0  HB3 CYS A  25      -3.055   3.912  -2.364  1.00  0.00           H   new
ATOM    317  N   GLN A  26      -4.158   2.717   1.193  1.00  0.00           N
ATOM    318  CA  GLN A  26      -4.426   3.456   2.370  1.00  0.00           C
ATOM    319  C   GLN A  26      -3.166   3.552   3.181  1.00  0.00           C
ATOM    320  O   GLN A  26      -2.620   2.530   3.628  1.00  0.00           O
ATOM    321  CB  GLN A  26      -5.544   2.783   3.155  1.00  0.00           C
ATOM    322  CG  GLN A  26      -6.858   2.717   2.384  1.00  0.00           C
ATOM    323  CD  GLN A  26      -7.942   1.976   3.123  1.00  0.00           C
ATOM    324  OE1 GLN A  26      -7.970   1.959   4.356  1.00  0.00           O
ATOM    325  NE2 GLN A  26      -8.846   1.378   2.391  1.00  0.00           N
ATOM      0  H   GLN A  26      -3.928   1.736   1.352  1.00  0.00           H   new
ATOM      0  HA  GLN A  26      -4.756   4.464   2.119  1.00  0.00           H   new
ATOM      0  HB2 GLN A  26      -5.235   1.773   3.423  1.00  0.00           H   new
ATOM      0  HB3 GLN A  26      -5.703   3.325   4.087  1.00  0.00           H   new
ATOM      0  HG2 GLN A  26      -7.199   3.730   2.172  1.00  0.00           H   new
ATOM      0  HG3 GLN A  26      -6.685   2.232   1.424  1.00  0.00           H   new
ATOM      0 HE21 GLN A  26      -8.786   1.417   1.374  1.00  0.00           H   new
ATOM      0 HE22 GLN A  26      -9.611   0.873   2.838  1.00  0.00           H   new
ATOM    334  N   VAL A  27      -2.671   4.756   3.321  1.00  0.00           N
ATOM    335  CA  VAL A  27      -1.484   5.003   4.091  1.00  0.00           C
ATOM    336  C   VAL A  27      -1.859   4.969   5.570  1.00  0.00           C
ATOM    337  O   VAL A  27      -2.451   5.914   6.103  1.00  0.00           O
ATOM    338  CB  VAL A  27      -0.810   6.360   3.703  1.00  0.00           C
ATOM    339  CG1 VAL A  27       0.478   6.578   4.455  1.00  0.00           C
ATOM    340  CG2 VAL A  27      -0.577   6.450   2.195  1.00  0.00           C
ATOM      0  H   VAL A  27      -3.082   5.591   2.903  1.00  0.00           H   new
ATOM      0  HA  VAL A  27      -0.747   4.229   3.878  1.00  0.00           H   new
ATOM      0  HB  VAL A  27      -1.499   7.154   3.990  1.00  0.00           H   new
ATOM      0 HG11 VAL A  27       0.916   7.531   4.158  1.00  0.00           H   new
ATOM      0 HG12 VAL A  27       0.276   6.589   5.526  1.00  0.00           H   new
ATOM      0 HG13 VAL A  27       1.174   5.772   4.225  1.00  0.00           H   new
ATOM      0 HG21 VAL A  27      -0.107   7.404   1.956  1.00  0.00           H   new
ATOM      0 HG22 VAL A  27       0.074   5.635   1.878  1.00  0.00           H   new
ATOM      0 HG23 VAL A  27      -1.532   6.375   1.674  1.00  0.00           H   new
ATOM    350  N   LEU A  28      -1.581   3.852   6.199  1.00  0.00           N
ATOM    351  CA  LEU A  28      -1.954   3.623   7.585  1.00  0.00           C
ATOM    352  C   LEU A  28      -0.964   4.329   8.461  1.00  0.00           C
ATOM    353  O   LEU A  28      -1.315   5.146   9.314  1.00  0.00           O
ATOM    354  CB  LEU A  28      -1.929   2.117   7.895  1.00  0.00           C
ATOM    355  CG  LEU A  28      -2.769   1.213   6.983  1.00  0.00           C
ATOM    356  CD1 LEU A  28      -2.642  -0.233   7.407  1.00  0.00           C
ATOM    357  CD2 LEU A  28      -4.219   1.633   6.995  1.00  0.00           C
ATOM      0  H   LEU A  28      -1.088   3.070   5.767  1.00  0.00           H   new
ATOM      0  HA  LEU A  28      -2.960   4.001   7.766  1.00  0.00           H   new
ATOM      0  HB2 LEU A  28      -0.894   1.777   7.851  1.00  0.00           H   new
ATOM      0  HB3 LEU A  28      -2.268   1.975   8.921  1.00  0.00           H   new
ATOM      0  HG  LEU A  28      -2.390   1.315   5.966  1.00  0.00           H   new
ATOM      0 HD11 LEU A  28      -3.244  -0.859   6.749  1.00  0.00           H   new
ATOM      0 HD12 LEU A  28      -1.598  -0.540   7.345  1.00  0.00           H   new
ATOM      0 HD13 LEU A  28      -2.992  -0.343   8.433  1.00  0.00           H   new
ATOM      0 HD21 LEU A  28      -4.793   0.977   6.341  1.00  0.00           H   new
ATOM      0 HD22 LEU A  28      -4.609   1.565   8.011  1.00  0.00           H   new
ATOM      0 HD23 LEU A  28      -4.303   2.661   6.642  1.00  0.00           H   new
ATOM    369  N   ASN A  29       0.266   4.029   8.213  1.00  0.00           N
ATOM    370  CA  ASN A  29       1.376   4.610   8.896  1.00  0.00           C
ATOM    371  C   ASN A  29       2.124   5.343   7.817  1.00  0.00           C
ATOM    372  O   ASN A  29       1.942   5.006   6.664  1.00  0.00           O
ATOM    373  CB  ASN A  29       2.275   3.517   9.497  1.00  0.00           C
ATOM    374  CG  ASN A  29       1.576   2.560  10.442  1.00  0.00           C
ATOM    375  OD1 ASN A  29       0.612   2.913  11.126  1.00  0.00           O
ATOM    376  ND2 ASN A  29       2.063   1.347  10.503  1.00  0.00           N
ATOM      0  H   ASN A  29       0.538   3.348   7.504  1.00  0.00           H   new
ATOM      0  HA  ASN A  29       1.065   5.254   9.719  1.00  0.00           H   new
ATOM      0  HB2 ASN A  29       2.716   2.942   8.683  1.00  0.00           H   new
ATOM      0  HB3 ASN A  29       3.096   3.996  10.031  1.00  0.00           H   new
ATOM      0 HD21 ASN A  29       1.644   0.660  11.130  1.00  0.00           H   new
ATOM      0 HD22 ASN A  29       2.861   1.088   9.923  1.00  0.00           H   new
ATOM    383  N   PRO A  30       2.986   6.315   8.124  1.00  0.00           N
ATOM    384  CA  PRO A  30       3.638   7.121   7.081  1.00  0.00           C
ATOM    385  C   PRO A  30       4.468   6.286   6.102  1.00  0.00           C
ATOM    386  O   PRO A  30       4.612   6.653   4.938  1.00  0.00           O
ATOM    387  CB  PRO A  30       4.551   8.059   7.854  1.00  0.00           C
ATOM    388  CG  PRO A  30       3.995   8.077   9.241  1.00  0.00           C
ATOM    389  CD  PRO A  30       3.420   6.717   9.472  1.00  0.00           C
ATOM      0  HA  PRO A  30       2.894   7.628   6.466  1.00  0.00           H   new
ATOM      0  HB2 PRO A  30       5.581   7.704   7.846  1.00  0.00           H   new
ATOM      0  HB3 PRO A  30       4.554   9.057   7.416  1.00  0.00           H   new
ATOM      0  HG2 PRO A  30       4.773   8.301   9.971  1.00  0.00           H   new
ATOM      0  HG3 PRO A  30       3.230   8.847   9.345  1.00  0.00           H   new
ATOM      0  HD2 PRO A  30       4.160   6.029   9.881  1.00  0.00           H   new
ATOM      0  HD3 PRO A  30       2.587   6.744  10.174  1.00  0.00           H   new
ATOM    397  N   TYR A  31       5.009   5.176   6.569  1.00  0.00           N
ATOM    398  CA  TYR A  31       5.835   4.335   5.729  1.00  0.00           C
ATOM    399  C   TYR A  31       5.079   3.054   5.341  1.00  0.00           C
ATOM    400  O   TYR A  31       5.369   2.429   4.307  1.00  0.00           O
ATOM    401  CB  TYR A  31       7.148   3.980   6.455  1.00  0.00           C
ATOM    402  CG  TYR A  31       7.924   5.186   6.988  1.00  0.00           C
ATOM    403  CD1 TYR A  31       7.569   5.801   8.187  1.00  0.00           C
ATOM    404  CD2 TYR A  31       9.010   5.694   6.303  1.00  0.00           C
ATOM    405  CE1 TYR A  31       8.267   6.878   8.674  1.00  0.00           C
ATOM    406  CE2 TYR A  31       9.713   6.777   6.787  1.00  0.00           C
ATOM    407  CZ  TYR A  31       9.335   7.365   7.973  1.00  0.00           C
ATOM    408  OH  TYR A  31      10.041   8.445   8.465  1.00  0.00           O
ATOM      0  H   TYR A  31       4.890   4.838   7.524  1.00  0.00           H   new
ATOM      0  HA  TYR A  31       6.075   4.885   4.819  1.00  0.00           H   new
ATOM      0  HB2 TYR A  31       6.920   3.314   7.287  1.00  0.00           H   new
ATOM      0  HB3 TYR A  31       7.789   3.425   5.770  1.00  0.00           H   new
ATOM      0  HD1 TYR A  31       6.726   5.422   8.746  1.00  0.00           H   new
ATOM      0  HD2 TYR A  31       9.314   5.236   5.373  1.00  0.00           H   new
ATOM      0  HE1 TYR A  31       7.974   7.338   9.606  1.00  0.00           H   new
ATOM      0  HE2 TYR A  31      10.558   7.163   6.237  1.00  0.00           H   new
ATOM      0  HH  TYR A  31      10.770   8.667   7.849  1.00  0.00           H   new
ATOM    418  N   TYR A  32       4.099   2.672   6.147  1.00  0.00           N
ATOM    419  CA  TYR A  32       3.310   1.496   5.847  1.00  0.00           C
ATOM    420  C   TYR A  32       1.946   1.872   5.287  1.00  0.00           C
ATOM    421  O   TYR A  32       1.083   2.394   6.000  1.00  0.00           O
ATOM    422  CB  TYR A  32       3.147   0.590   7.078  1.00  0.00           C
ATOM    423  CG  TYR A  32       2.447  -0.730   6.779  1.00  0.00           C
ATOM    424  CD1 TYR A  32       1.076  -0.906   7.008  1.00  0.00           C
ATOM    425  CD2 TYR A  32       3.162  -1.800   6.260  1.00  0.00           C
ATOM    426  CE1 TYR A  32       0.461  -2.112   6.723  1.00  0.00           C
ATOM    427  CE2 TYR A  32       2.549  -3.002   5.976  1.00  0.00           C
ATOM    428  CZ  TYR A  32       1.201  -3.153   6.209  1.00  0.00           C
ATOM    429  OH  TYR A  32       0.591  -4.355   5.921  1.00  0.00           O
ATOM      0  H   TYR A  32       3.836   3.157   7.005  1.00  0.00           H   new
ATOM      0  HA  TYR A  32       3.854   0.937   5.086  1.00  0.00           H   new
ATOM      0  HB2 TYR A  32       4.131   0.382   7.498  1.00  0.00           H   new
ATOM      0  HB3 TYR A  32       2.582   1.126   7.840  1.00  0.00           H   new
ATOM      0  HD1 TYR A  32       0.493  -0.091   7.411  1.00  0.00           H   new
ATOM      0  HD2 TYR A  32       4.220  -1.689   6.075  1.00  0.00           H   new
ATOM      0  HE1 TYR A  32      -0.597  -2.237   6.903  1.00  0.00           H   new
ATOM      0  HE2 TYR A  32       3.124  -3.822   5.572  1.00  0.00           H   new
ATOM      0  HH  TYR A  32       1.255  -4.982   5.565  1.00  0.00           H   new
ATOM    439  N   SER A  33       1.735   1.547   4.063  1.00  0.00           N
ATOM    440  CA  SER A  33       0.485   1.787   3.414  1.00  0.00           C
ATOM    441  C   SER A  33       0.024   0.465   2.874  1.00  0.00           C
ATOM    442  O   SER A  33       0.852  -0.319   2.429  1.00  0.00           O
ATOM    443  CB  SER A  33       0.693   2.775   2.292  1.00  0.00           C
ATOM    444  OG  SER A  33       1.365   3.915   2.768  1.00  0.00           O
ATOM      0  H   SER A  33       2.433   1.099   3.469  1.00  0.00           H   new
ATOM      0  HA  SER A  33      -0.257   2.202   4.096  1.00  0.00           H   new
ATOM      0  HB2 SER A  33       1.270   2.311   1.492  1.00  0.00           H   new
ATOM      0  HB3 SER A  33      -0.269   3.062   1.867  1.00  0.00           H   new
ATOM      0  HG  SER A  33       1.735   4.417   2.012  1.00  0.00           H   new
ATOM    450  N   GLN A  34      -1.241   0.194   2.912  1.00  0.00           N
ATOM    451  CA  GLN A  34      -1.712  -1.100   2.507  1.00  0.00           C
ATOM    452  C   GLN A  34      -2.850  -0.957   1.512  1.00  0.00           C
ATOM    453  O   GLN A  34      -3.576   0.032   1.536  1.00  0.00           O
ATOM    454  CB  GLN A  34      -2.126  -1.890   3.753  1.00  0.00           C
ATOM    455  CG  GLN A  34      -2.403  -3.361   3.522  1.00  0.00           C
ATOM    456  CD  GLN A  34      -2.589  -4.108   4.819  1.00  0.00           C
ATOM    457  OE1 GLN A  34      -3.056  -3.559   5.805  1.00  0.00           O
ATOM    458  NE2 GLN A  34      -2.181  -5.342   4.849  1.00  0.00           N
ATOM      0  H   GLN A  34      -1.966   0.844   3.217  1.00  0.00           H   new
ATOM      0  HA  GLN A  34      -0.918  -1.651   2.002  1.00  0.00           H   new
ATOM      0  HB2 GLN A  34      -1.338  -1.798   4.500  1.00  0.00           H   new
ATOM      0  HB3 GLN A  34      -3.020  -1.430   4.175  1.00  0.00           H   new
ATOM      0  HG2 GLN A  34      -3.297  -3.470   2.909  1.00  0.00           H   new
ATOM      0  HG3 GLN A  34      -1.578  -3.803   2.964  1.00  0.00           H   new
ATOM      0 HE21 GLN A  34      -1.796  -5.772   4.008  1.00  0.00           H   new
ATOM      0 HE22 GLN A  34      -2.246  -5.880   5.713  1.00  0.00           H   new
ATOM    467  N   CYS A  35      -2.962  -1.907   0.620  1.00  0.00           N
ATOM    468  CA  CYS A  35      -4.013  -1.908  -0.374  1.00  0.00           C
ATOM    469  C   CYS A  35      -5.240  -2.615   0.171  1.00  0.00           C
ATOM    470  O   CYS A  35      -5.234  -3.840   0.344  1.00  0.00           O
ATOM    471  CB  CYS A  35      -3.539  -2.604  -1.654  1.00  0.00           C
ATOM    472  SG  CYS A  35      -2.060  -1.863  -2.402  1.00  0.00           S
ATOM      0  H   CYS A  35      -2.328  -2.704   0.559  1.00  0.00           H   new
ATOM      0  HA  CYS A  35      -4.268  -0.875  -0.611  1.00  0.00           H   new
ATOM      0  HB2 CYS A  35      -3.333  -3.651  -1.430  1.00  0.00           H   new
ATOM      0  HB3 CYS A  35      -4.348  -2.588  -2.384  1.00  0.00           H   new
ATOM    477  N   LEU A  36      -6.258  -1.860   0.475  1.00  0.00           N
ATOM    478  CA  LEU A  36      -7.489  -2.394   0.983  1.00  0.00           C
ATOM    479  C   LEU A  36      -8.582  -2.156  -0.026  1.00  0.00           C
ATOM    480  O   LEU A  36      -8.861  -0.979  -0.354  1.00  0.00           O
ATOM    481  CB  LEU A  36      -7.886  -1.820   2.366  1.00  0.00           C
ATOM    482  CG  LEU A  36      -6.957  -2.111   3.569  1.00  0.00           C
ATOM    483  CD1 LEU A  36      -6.570  -3.579   3.662  1.00  0.00           C
ATOM    484  CD2 LEU A  36      -5.745  -1.204   3.597  1.00  0.00           C
ATOM    485  OXT LEU A  36      -9.179  -3.137  -0.493  1.00  0.00           O
ATOM      0  H   LEU A  36      -6.256  -0.845   0.376  1.00  0.00           H   new
ATOM      0  HA  LEU A  36      -7.342  -3.463   1.139  1.00  0.00           H   new
ATOM      0  HB2 LEU A  36      -7.973  -0.738   2.266  1.00  0.00           H   new
ATOM      0  HB3 LEU A  36      -8.878  -2.198   2.612  1.00  0.00           H   new
ATOM      0  HG  LEU A  36      -7.539  -1.883   4.462  1.00  0.00           H   new
ATOM      0 HD11 LEU A  36      -5.918  -3.730   4.522  1.00  0.00           H   new
ATOM      0 HD12 LEU A  36      -7.468  -4.186   3.777  1.00  0.00           H   new
ATOM      0 HD13 LEU A  36      -6.046  -3.875   2.753  1.00  0.00           H   new
ATOM      0 HD21 LEU A  36      -5.127  -1.450   4.460  1.00  0.00           H   new
ATOM      0 HD22 LEU A  36      -5.166  -1.343   2.684  1.00  0.00           H   new
ATOM      0 HD23 LEU A  36      -6.069  -0.166   3.667  1.00  0.00           H   new
TER     497      LEU A  36