USER  MOD reduce.3.24.130724 H: found=0, std=0, add=248, rem=0, adj=13
USER  MOD reduce.3.24.130724 removed 245 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  11 MET CE  :methyl -164:sc=  -0.983   (180deg=-1.58!)
USER  MOD Set 1.2: A  14 GLN     :      amide:sc=   -5.03! K(o=-6!,f=-8)
USER  MOD Single : A   6 ASN     :FLIP  amide:sc=   -5.95! C(o=-11!,f=-5.9!)
USER  MOD Single : A   8 HIS     :     no HD1:sc= -0.0417  X(o=-0.042,f=0)
USER  MOD Single : A  13 GLN     :FLIP  amide:sc=   -4.21! C(o=-4.9!,f=-4.2!)
USER  MOD Single : A  17 HIS     :     no HD1:sc=   -3.57! C(o=-3.6!,f=-3.6!)
USER  MOD Single : A  19 GLN     :      amide:sc=       0  K(o=0,f=-1.3!)
USER  MOD Single : A  20 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  21 SER OG  :   rot  180:sc=  -0.311
USER  MOD Single : A  23 LYS NZ  :NH3+    158:sc= -0.0809   (180deg=-0.654)
USER  MOD Single : A  24 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  25 MET CE  :methyl -179:sc=   -2.63   (180deg=-2.64)
USER  MOD Single : A  27 HIS     :FLIP no HE2:sc=  0.0014  F(o=-0.97,f=0.0014)
USER  MOD Single : A  28 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  30 LYS NZ  :NH3+   -139:sc=  -0.297   (180deg=-1.47!)
USER  MOD Single : A  31 LYS NZ  :NH3+    145:sc=  -0.283   (180deg=-1.44!)
USER  MOD Single : A  36 CYS SG  :   rot  180:sc=       0
USER  MOD -----------------------------------------------------------------
ATOM     26  N   GLU A   3      -2.358   5.673   3.559  1.00  1.00           N
ATOM     27  CA  GLU A   3      -3.463   4.751   3.933  1.00  1.00           C
ATOM     28  C   GLU A   3      -3.611   3.675   2.861  1.00  1.00           C
ATOM     29  O   GLU A   3      -3.239   3.862   1.721  1.00  1.00           O
ATOM     30  CB  GLU A   3      -4.772   5.535   4.069  1.00  1.00           C
ATOM     31  CG  GLU A   3      -5.326   5.862   2.681  1.00  1.00           C
ATOM     32  CD  GLU A   3      -6.507   6.827   2.816  1.00  1.00           C
ATOM     33  OE1 GLU A   3      -6.934   7.053   3.936  1.00  1.00           O
ATOM     34  OE2 GLU A   3      -6.959   7.323   1.798  1.00  1.00           O
ATOM      0  HA  GLU A   3      -3.233   4.280   4.889  1.00  1.00           H   new
ATOM      0  HB2 GLU A   3      -5.500   4.951   4.633  1.00  1.00           H   new
ATOM      0  HB3 GLU A   3      -4.599   6.455   4.628  1.00  1.00           H   new
ATOM      0  HG2 GLU A   3      -4.547   6.308   2.063  1.00  1.00           H   new
ATOM      0  HG3 GLU A   3      -5.645   4.948   2.181  1.00  1.00           H   new
ATOM     41  N   ASP A   4      -4.149   2.549   3.226  1.00  1.00           N
ATOM     42  CA  ASP A   4      -4.315   1.454   2.237  1.00  1.00           C
ATOM     43  C   ASP A   4      -5.337   1.861   1.173  1.00  1.00           C
ATOM     44  O   ASP A   4      -6.309   2.537   1.449  1.00  1.00           O
ATOM     45  CB  ASP A   4      -4.784   0.192   2.956  1.00  1.00           C
ATOM     46  CG  ASP A   4      -6.122   0.457   3.649  1.00  1.00           C
ATOM     47  OD1 ASP A   4      -6.708   1.492   3.386  1.00  1.00           O
ATOM     48  OD2 ASP A   4      -6.535  -0.379   4.435  1.00  1.00           O
ATOM      0  H   ASP A   4      -4.481   2.339   4.167  1.00  1.00           H   new
ATOM      0  HA  ASP A   4      -3.360   1.259   1.748  1.00  1.00           H   new
ATOM      0  HB2 ASP A   4      -4.889  -0.626   2.243  1.00  1.00           H   new
ATOM      0  HB3 ASP A   4      -4.039  -0.118   3.689  1.00  1.00           H   new
ATOM     53  N   LEU A   5      -5.121   1.449  -0.044  1.00  1.00           N
ATOM     54  CA  LEU A   5      -6.070   1.802  -1.134  1.00  1.00           C
ATOM     55  C   LEU A   5      -6.927   0.579  -1.470  1.00  1.00           C
ATOM     56  O   LEU A   5      -8.091   0.694  -1.804  1.00  1.00           O
ATOM     57  CB  LEU A   5      -5.268   2.230  -2.369  1.00  1.00           C
ATOM     58  CG  LEU A   5      -4.518   3.531  -2.071  1.00  1.00           C
ATOM     59  CD1 LEU A   5      -3.747   3.975  -3.315  1.00  1.00           C
ATOM     60  CD2 LEU A   5      -5.520   4.620  -1.683  1.00  1.00           C
ATOM      0  H   LEU A   5      -4.324   0.880  -0.331  1.00  1.00           H   new
ATOM      0  HA  LEU A   5      -6.719   2.619  -0.819  1.00  1.00           H   new
ATOM      0  HB2 LEU A   5      -4.562   1.447  -2.646  1.00  1.00           H   new
ATOM      0  HB3 LEU A   5      -5.937   2.371  -3.218  1.00  1.00           H   new
ATOM      0  HG  LEU A   5      -3.821   3.365  -1.250  1.00  1.00           H   new
ATOM      0 HD11 LEU A   5      -3.214   4.901  -3.101  1.00  1.00           H   new
ATOM      0 HD12 LEU A   5      -3.032   3.201  -3.596  1.00  1.00           H   new
ATOM      0 HD13 LEU A   5      -4.445   4.139  -4.136  1.00  1.00           H   new
ATOM      0 HD21 LEU A   5      -4.986   5.546  -1.471  1.00  1.00           H   new
ATOM      0 HD22 LEU A   5      -6.217   4.783  -2.505  1.00  1.00           H   new
ATOM      0 HD23 LEU A   5      -6.072   4.308  -0.796  1.00  1.00           H   new
ATOM     72  N   ASN A   6      -6.363  -0.595  -1.373  1.00  1.00           N
ATOM     73  CA  ASN A   6      -7.142  -1.830  -1.674  1.00  1.00           C
ATOM     74  C   ASN A   6      -7.532  -2.515  -0.361  1.00  1.00           C
ATOM     75  O   ASN A   6      -6.792  -2.496   0.600  1.00  1.00           O
ATOM     76  CB  ASN A   6      -6.287  -2.783  -2.508  1.00  1.00           C
ATOM     77  CG  ASN A   6      -7.188  -3.834  -3.161  1.00  1.00           C
ATOM     78  OD1 ASN A   6      -7.080  -5.082  -2.802  1.00  1.00           O   flip
ATOM     79  ND2 ASN A   6      -7.999  -3.513  -4.007  1.00  1.00           N   flip
ATOM      0  H   ASN A   6      -5.394  -0.752  -1.097  1.00  1.00           H   new
ATOM      0  HA  ASN A   6      -8.041  -1.566  -2.232  1.00  1.00           H   new
ATOM      0  HB2 ASN A   6      -5.744  -2.228  -3.273  1.00  1.00           H   new
ATOM      0  HB3 ASN A   6      -5.542  -3.268  -1.877  1.00  1.00           H   new
ATOM      0 HD21 ASN A   6      -8.083  -2.536  -4.288  1.00  1.00           H   new
ATOM      0 HD22 ASN A   6      -8.595  -4.220  -4.436  1.00  1.00           H   new
ATOM     86  N   ALA A   7      -8.685  -3.124  -0.312  1.00  1.00           N
ATOM     87  CA  ALA A   7      -9.108  -3.809   0.943  1.00  1.00           C
ATOM     88  C   ALA A   7      -8.166  -4.984   1.233  1.00  1.00           C
ATOM     89  O   ALA A   7      -7.996  -5.387   2.365  1.00  1.00           O
ATOM     90  CB  ALA A   7     -10.537  -4.327   0.787  1.00  1.00           C
ATOM      0  H   ALA A   7      -9.350  -3.177  -1.083  1.00  1.00           H   new
ATOM      0  HA  ALA A   7      -9.067  -3.101   1.771  1.00  1.00           H   new
ATOM      0  HB1 ALA A   7     -10.845  -4.827   1.705  1.00  1.00           H   new
ATOM      0  HB2 ALA A   7     -11.207  -3.491   0.587  1.00  1.00           H   new
ATOM      0  HB3 ALA A   7     -10.580  -5.033  -0.043  1.00  1.00           H   new
ATOM     96  N   HIS A   8      -7.552  -5.534   0.218  1.00  1.00           N
ATOM     97  CA  HIS A   8      -6.622  -6.684   0.437  1.00  1.00           C
ATOM     98  C   HIS A   8      -5.201  -6.162   0.673  1.00  1.00           C
ATOM     99  O   HIS A   8      -4.246  -6.913   0.674  1.00  1.00           O
ATOM    100  CB  HIS A   8      -6.629  -7.592  -0.792  1.00  1.00           C
ATOM    101  CG  HIS A   8      -7.975  -8.247  -0.925  1.00  1.00           C
ATOM    102  ND1 HIS A   8      -8.387  -8.855  -2.105  1.00  1.00           N
ATOM    103  CD2 HIS A   8      -9.014  -8.398  -0.043  1.00  1.00           C
ATOM    104  CE1 HIS A   8      -9.626  -9.337  -1.898  1.00  1.00           C
ATOM    105  NE2 HIS A   8     -10.052  -9.084  -0.660  1.00  1.00           N
ATOM      0  H   HIS A   8      -7.654  -5.238  -0.753  1.00  1.00           H   new
ATOM      0  HA  HIS A   8      -6.951  -7.249   1.309  1.00  1.00           H   new
ATOM      0  HB2 HIS A   8      -6.405  -7.012  -1.687  1.00  1.00           H   new
ATOM      0  HB3 HIS A   8      -5.851  -8.350  -0.701  1.00  1.00           H   new
ATOM      0  HD2 HIS A   8      -9.024  -8.039   0.975  1.00  1.00           H   new
ATOM      0  HE1 HIS A   8     -10.204  -9.864  -2.643  1.00  1.00           H   new
ATOM      0  HE2 HIS A   8     -10.951  -9.340  -0.252  1.00  1.00           H   new
ATOM    113  N   CYS A   9      -5.058  -4.885   0.870  1.00  1.00           N
ATOM    114  CA  CYS A   9      -3.704  -4.309   1.106  1.00  1.00           C
ATOM    115  C   CYS A   9      -3.009  -5.072   2.231  1.00  1.00           C
ATOM    116  O   CYS A   9      -1.910  -5.568   2.075  1.00  1.00           O
ATOM    117  CB  CYS A   9      -3.860  -2.851   1.521  1.00  1.00           C
ATOM    118  SG  CYS A   9      -3.457  -1.783   0.120  1.00  1.00           S
ATOM      0  H   CYS A   9      -5.823  -4.210   0.878  1.00  1.00           H   new
ATOM      0  HA  CYS A   9      -3.109  -4.384   0.196  1.00  1.00           H   new
ATOM      0  HB2 CYS A   9      -4.881  -2.663   1.854  1.00  1.00           H   new
ATOM      0  HB3 CYS A   9      -3.204  -2.629   2.363  1.00  1.00           H   new
ATOM    123  N   GLU A  10      -3.642  -5.165   3.364  1.00  1.00           N
ATOM    124  CA  GLU A  10      -3.027  -5.891   4.505  1.00  1.00           C
ATOM    125  C   GLU A  10      -2.810  -7.352   4.121  1.00  1.00           C
ATOM    126  O   GLU A  10      -1.813  -7.951   4.467  1.00  1.00           O
ATOM    127  CB  GLU A  10      -3.962  -5.805   5.709  1.00  1.00           C
ATOM    128  CG  GLU A  10      -3.956  -4.377   6.260  1.00  1.00           C
ATOM    129  CD  GLU A  10      -4.860  -4.302   7.490  1.00  1.00           C
ATOM    130  OE1 GLU A  10      -5.579  -5.258   7.732  1.00  1.00           O
ATOM    131  OE2 GLU A  10      -4.821  -3.289   8.170  1.00  1.00           O
ATOM      0  H   GLU A  10      -4.563  -4.768   3.549  1.00  1.00           H   new
ATOM      0  HA  GLU A  10      -2.066  -5.443   4.756  1.00  1.00           H   new
ATOM      0  HB2 GLU A  10      -4.973  -6.090   5.418  1.00  1.00           H   new
ATOM      0  HB3 GLU A  10      -3.643  -6.505   6.481  1.00  1.00           H   new
ATOM      0  HG2 GLU A  10      -2.940  -4.082   6.523  1.00  1.00           H   new
ATOM      0  HG3 GLU A  10      -4.303  -3.680   5.497  1.00  1.00           H   new
ATOM    138  N   MET A  11      -3.728  -7.931   3.403  1.00  1.00           N
ATOM    139  CA  MET A  11      -3.560  -9.351   2.998  1.00  1.00           C
ATOM    140  C   MET A  11      -2.321  -9.477   2.109  1.00  1.00           C
ATOM    141  O   MET A  11      -1.571 -10.428   2.190  1.00  1.00           O
ATOM    142  CB  MET A  11      -4.793  -9.802   2.208  1.00  1.00           C
ATOM    143  CG  MET A  11      -6.027  -9.782   3.111  1.00  1.00           C
ATOM    144  SD  MET A  11      -5.759 -10.871   4.533  1.00  1.00           S
ATOM    145  CE  MET A  11      -5.530 -12.410   3.607  1.00  1.00           C
ATOM      0  H   MET A  11      -4.586  -7.483   3.080  1.00  1.00           H   new
ATOM      0  HA  MET A  11      -3.444  -9.974   3.885  1.00  1.00           H   new
ATOM      0  HB2 MET A  11      -4.947  -9.145   1.352  1.00  1.00           H   new
ATOM      0  HB3 MET A  11      -4.636 -10.806   1.815  1.00  1.00           H   new
ATOM      0  HG2 MET A  11      -6.224  -8.765   3.451  1.00  1.00           H   new
ATOM      0  HG3 MET A  11      -6.904 -10.107   2.552  1.00  1.00           H   new
ATOM      0  HE1 MET A  11      -5.631 -13.260   4.282  1.00  1.00           H   new
ATOM      0  HE2 MET A  11      -6.284 -12.478   2.823  1.00  1.00           H   new
ATOM      0  HE3 MET A  11      -4.537 -12.420   3.158  1.00  1.00           H   new
ATOM    155  N   TRP A  12      -2.105  -8.521   1.255  1.00  1.00           N
ATOM    156  CA  TRP A  12      -0.926  -8.581   0.350  1.00  1.00           C
ATOM    157  C   TRP A  12       0.365  -8.346   1.136  1.00  1.00           C
ATOM    158  O   TRP A  12       1.364  -9.004   0.913  1.00  1.00           O
ATOM    159  CB  TRP A  12      -1.073  -7.503  -0.727  1.00  1.00           C
ATOM    160  CG  TRP A  12      -2.331  -7.727  -1.503  1.00  1.00           C
ATOM    161  CD1 TRP A  12      -3.032  -8.886  -1.552  1.00  1.00           C
ATOM    162  CD2 TRP A  12      -3.050  -6.780  -2.343  1.00  1.00           C
ATOM    163  NE1 TRP A  12      -4.131  -8.707  -2.375  1.00  1.00           N
ATOM    164  CE2 TRP A  12      -4.187  -7.424  -2.882  1.00  1.00           C
ATOM    165  CE3 TRP A  12      -2.828  -5.435  -2.684  1.00  1.00           C
ATOM    166  CZ2 TRP A  12      -5.069  -6.760  -3.733  1.00  1.00           C
ATOM    167  CZ3 TRP A  12      -3.714  -4.762  -3.540  1.00  1.00           C
ATOM    168  CH2 TRP A  12      -4.833  -5.422  -4.061  1.00  1.00           C
ATOM      0  H   TRP A  12      -2.696  -7.697   1.143  1.00  1.00           H   new
ATOM      0  HA  TRP A  12      -0.877  -9.568  -0.110  1.00  1.00           H   new
ATOM      0  HB2 TRP A  12      -1.091  -6.516  -0.265  1.00  1.00           H   new
ATOM      0  HB3 TRP A  12      -0.213  -7.526  -1.397  1.00  1.00           H   new
ATOM      0  HD1 TRP A  12      -2.776  -9.799  -1.034  1.00  1.00           H   new
ATOM      0  HE1 TRP A  12      -4.816  -9.434  -2.582  1.00  1.00           H   new
ATOM      0  HE3 TRP A  12      -1.970  -4.915  -2.285  1.00  1.00           H   new
ATOM      0  HZ2 TRP A  12      -5.928  -7.276  -4.136  1.00  1.00           H   new
ATOM      0  HZ3 TRP A  12      -3.531  -3.729  -3.798  1.00  1.00           H   new
ATOM      0  HH2 TRP A  12      -5.513  -4.898  -4.716  1.00  1.00           H   new
ATOM    179  N   GLN A  13       0.361  -7.416   2.047  1.00  1.00           N
ATOM    180  CA  GLN A  13       1.593  -7.147   2.831  1.00  1.00           C
ATOM    181  C   GLN A  13       1.909  -8.349   3.716  1.00  1.00           C
ATOM    182  O   GLN A  13       3.055  -8.705   3.907  1.00  1.00           O
ATOM    183  CB  GLN A  13       1.382  -5.895   3.681  1.00  1.00           C
ATOM    184  CG  GLN A  13       0.785  -6.275   5.039  1.00  1.00           C
ATOM    185  CD  GLN A  13       1.906  -6.702   5.990  1.00  1.00           C
ATOM    186  OE1 GLN A  13       1.734  -7.749   6.751  1.00  1.00           O   flip
ATOM    187  NE2 GLN A  13       2.947  -6.076   6.041  1.00  1.00           N   flip
ATOM      0  H   GLN A  13      -0.442  -6.832   2.282  1.00  1.00           H   new
ATOM      0  HA  GLN A  13       2.434  -6.982   2.158  1.00  1.00           H   new
ATOM      0  HB2 GLN A  13       2.331  -5.379   3.824  1.00  1.00           H   new
ATOM      0  HB3 GLN A  13       0.718  -5.203   3.164  1.00  1.00           H   new
ATOM      0  HG2 GLN A  13       0.241  -5.429   5.458  1.00  1.00           H   new
ATOM      0  HG3 GLN A  13       0.068  -7.087   4.918  1.00  1.00           H   new
ATOM      0 HE21 GLN A  13       3.080  -5.258   5.446  1.00  1.00           H   new
ATOM      0 HE22 GLN A  13       3.687  -6.369   6.679  1.00  1.00           H   new
ATOM    196  N   GLN A  14       0.907  -8.994   4.246  1.00  1.00           N
ATOM    197  CA  GLN A  14       1.174 -10.178   5.101  1.00  1.00           C
ATOM    198  C   GLN A  14       1.735 -11.288   4.217  1.00  1.00           C
ATOM    199  O   GLN A  14       2.552 -12.081   4.640  1.00  1.00           O
ATOM    200  CB  GLN A  14      -0.116 -10.617   5.801  1.00  1.00           C
ATOM    201  CG  GLN A  14      -0.873 -11.625   4.940  1.00  1.00           C
ATOM    202  CD  GLN A  14      -2.342 -11.655   5.373  1.00  1.00           C
ATOM    203  OE1 GLN A  14      -3.049 -12.602   5.097  1.00  1.00           O
ATOM    204  NE2 GLN A  14      -2.835 -10.648   6.047  1.00  1.00           N
ATOM      0  H   GLN A  14      -0.077  -8.753   4.124  1.00  1.00           H   new
ATOM      0  HA  GLN A  14       1.901  -9.937   5.877  1.00  1.00           H   new
ATOM      0  HB2 GLN A  14       0.121 -11.061   6.768  1.00  1.00           H   new
ATOM      0  HB3 GLN A  14      -0.746  -9.749   5.994  1.00  1.00           H   new
ATOM      0  HG2 GLN A  14      -0.797 -11.352   3.888  1.00  1.00           H   new
ATOM      0  HG3 GLN A  14      -0.430 -12.616   5.045  1.00  1.00           H   new
ATOM      0 HE21 GLN A  14      -2.242  -9.851   6.280  1.00  1.00           H   new
ATOM      0 HE22 GLN A  14      -3.812 -10.660   6.340  1.00  1.00           H   new
ATOM    213  N   LEU A  15       1.330 -11.329   2.975  1.00  1.00           N
ATOM    214  CA  LEU A  15       1.874 -12.364   2.056  1.00  1.00           C
ATOM    215  C   LEU A  15       3.263 -11.922   1.577  1.00  1.00           C
ATOM    216  O   LEU A  15       3.975 -12.669   0.933  1.00  1.00           O
ATOM    217  CB  LEU A  15       0.943 -12.522   0.854  1.00  1.00           C
ATOM    218  CG  LEU A  15      -0.374 -13.157   1.303  1.00  1.00           C
ATOM    219  CD1 LEU A  15      -1.324 -13.253   0.110  1.00  1.00           C
ATOM    220  CD2 LEU A  15      -0.099 -14.561   1.848  1.00  1.00           C
ATOM      0  H   LEU A  15       0.649 -10.692   2.561  1.00  1.00           H   new
ATOM      0  HA  LEU A  15       1.949 -13.319   2.577  1.00  1.00           H   new
ATOM      0  HB2 LEU A  15       0.753 -11.550   0.399  1.00  1.00           H   new
ATOM      0  HB3 LEU A  15       1.417 -13.143   0.094  1.00  1.00           H   new
ATOM      0  HG  LEU A  15      -0.828 -12.545   2.082  1.00  1.00           H   new
ATOM      0 HD11 LEU A  15      -2.263 -13.705   0.428  1.00  1.00           H   new
ATOM      0 HD12 LEU A  15      -1.517 -12.255  -0.283  1.00  1.00           H   new
ATOM      0 HD13 LEU A  15      -0.871 -13.868  -0.668  1.00  1.00           H   new
ATOM      0 HD21 LEU A  15      -1.036 -15.017   2.169  1.00  1.00           H   new
ATOM      0 HD22 LEU A  15       0.353 -15.172   1.067  1.00  1.00           H   new
ATOM      0 HD23 LEU A  15       0.582 -14.495   2.697  1.00  1.00           H   new
ATOM    232  N   GLY A  16       3.660 -10.720   1.907  1.00  1.00           N
ATOM    233  CA  GLY A  16       5.009 -10.237   1.492  1.00  1.00           C
ATOM    234  C   GLY A  16       4.934  -9.479   0.162  1.00  1.00           C
ATOM    235  O   GLY A  16       5.935  -9.259  -0.487  1.00  1.00           O
ATOM      0  H   GLY A  16       3.108 -10.053   2.446  1.00  1.00           H   new
ATOM      0  HA2 GLY A  16       5.420  -9.586   2.264  1.00  1.00           H   new
ATOM      0  HA3 GLY A  16       5.689 -11.084   1.395  1.00  1.00           H   new
ATOM    239  N   HIS A  17       3.766  -9.076  -0.257  1.00  1.00           N
ATOM    240  CA  HIS A  17       3.665  -8.333  -1.546  1.00  1.00           C
ATOM    241  C   HIS A  17       4.547  -7.086  -1.488  1.00  1.00           C
ATOM    242  O   HIS A  17       5.039  -6.614  -2.492  1.00  1.00           O
ATOM    243  CB  HIS A  17       2.217  -7.922  -1.794  1.00  1.00           C
ATOM    244  CG  HIS A  17       1.410  -9.136  -2.161  1.00  1.00           C
ATOM    245  ND1 HIS A  17       0.353  -9.081  -3.060  1.00  1.00           N
ATOM    246  CD2 HIS A  17       1.487 -10.447  -1.757  1.00  1.00           C
ATOM    247  CE1 HIS A  17      -0.158 -10.320  -3.165  1.00  1.00           C
ATOM    248  NE2 HIS A  17       0.497 -11.186  -2.391  1.00  1.00           N
ATOM      0  H   HIS A  17       2.884  -9.227   0.232  1.00  1.00           H   new
ATOM      0  HA  HIS A  17       3.999  -8.978  -2.359  1.00  1.00           H   new
ATOM      0  HB2 HIS A  17       1.803  -7.452  -0.902  1.00  1.00           H   new
ATOM      0  HB3 HIS A  17       2.169  -7.184  -2.595  1.00  1.00           H   new
ATOM      0  HD2 HIS A  17       2.206 -10.842  -1.055  1.00  1.00           H   new
ATOM      0  HE1 HIS A  17      -0.994 -10.581  -3.797  1.00  1.00           H   new
ATOM      0  HE2 HIS A  17       0.310 -12.183  -2.286  1.00  1.00           H   new
ATOM    256  N   CYS A  18       4.762  -6.548  -0.319  1.00  1.00           N
ATOM    257  CA  CYS A  18       5.630  -5.345  -0.213  1.00  1.00           C
ATOM    258  C   CYS A  18       7.077  -5.799  -0.351  1.00  1.00           C
ATOM    259  O   CYS A  18       7.885  -5.177  -1.015  1.00  1.00           O
ATOM    260  CB  CYS A  18       5.431  -4.693   1.156  1.00  1.00           C
ATOM    261  SG  CYS A  18       4.122  -3.451   1.054  1.00  1.00           S
ATOM      0  H   CYS A  18       4.376  -6.888   0.562  1.00  1.00           H   new
ATOM      0  HA  CYS A  18       5.379  -4.623  -0.990  1.00  1.00           H   new
ATOM      0  HB2 CYS A  18       5.171  -5.450   1.896  1.00  1.00           H   new
ATOM      0  HB3 CYS A  18       6.360  -4.230   1.488  1.00  1.00           H   new
ATOM    266  N   GLN A  19       7.400  -6.902   0.260  1.00  1.00           N
ATOM    267  CA  GLN A  19       8.777  -7.441   0.166  1.00  1.00           C
ATOM    268  C   GLN A  19       9.001  -7.974  -1.249  1.00  1.00           C
ATOM    269  O   GLN A  19      10.094  -7.933  -1.782  1.00  1.00           O
ATOM    270  CB  GLN A  19       8.941  -8.579   1.175  1.00  1.00           C
ATOM    271  CG  GLN A  19      10.409  -8.999   1.243  1.00  1.00           C
ATOM    272  CD  GLN A  19      10.572 -10.144   2.245  1.00  1.00           C
ATOM    273  OE1 GLN A  19       9.648 -10.474   2.963  1.00  1.00           O
ATOM    274  NE2 GLN A  19      11.715 -10.768   2.323  1.00  1.00           N
ATOM      0  H   GLN A  19       6.759  -7.457   0.827  1.00  1.00           H   new
ATOM      0  HA  GLN A  19       9.503  -6.658   0.384  1.00  1.00           H   new
ATOM      0  HB2 GLN A  19       8.599  -8.258   2.159  1.00  1.00           H   new
ATOM      0  HB3 GLN A  19       8.323  -9.428   0.884  1.00  1.00           H   new
ATOM      0  HG2 GLN A  19      10.753  -9.313   0.258  1.00  1.00           H   new
ATOM      0  HG3 GLN A  19      11.026  -8.152   1.541  1.00  1.00           H   new
ATOM      0 HE21 GLN A  19      12.490 -10.491   1.720  1.00  1.00           H   new
ATOM      0 HE22 GLN A  19      11.834 -11.533   2.987  1.00  1.00           H   new
ATOM    283  N   TYR A  20       7.966  -8.493  -1.853  1.00  1.00           N
ATOM    284  CA  TYR A  20       8.099  -9.059  -3.226  1.00  1.00           C
ATOM    285  C   TYR A  20       7.605  -8.055  -4.274  1.00  1.00           C
ATOM    286  O   TYR A  20       8.199  -7.912  -5.325  1.00  1.00           O
ATOM    287  CB  TYR A  20       7.258 -10.334  -3.318  1.00  1.00           C
ATOM    288  CG  TYR A  20       7.722 -11.317  -2.267  1.00  1.00           C
ATOM    289  CD1 TYR A  20       9.034 -11.806  -2.295  1.00  1.00           C
ATOM    290  CD2 TYR A  20       6.841 -11.735  -1.261  1.00  1.00           C
ATOM    291  CE1 TYR A  20       9.464 -12.711  -1.318  1.00  1.00           C
ATOM    292  CE2 TYR A  20       7.272 -12.641  -0.285  1.00  1.00           C
ATOM    293  CZ  TYR A  20       8.583 -13.129  -0.313  1.00  1.00           C
ATOM    294  OH  TYR A  20       9.005 -14.021   0.648  1.00  1.00           O
ATOM      0  H   TYR A  20       7.030  -8.549  -1.452  1.00  1.00           H   new
ATOM      0  HA  TYR A  20       9.149  -9.279  -3.420  1.00  1.00           H   new
ATOM      0  HB2 TYR A  20       6.204 -10.099  -3.172  1.00  1.00           H   new
ATOM      0  HB3 TYR A  20       7.352 -10.774  -4.311  1.00  1.00           H   new
ATOM      0  HD1 TYR A  20       9.714 -11.485  -3.070  1.00  1.00           H   new
ATOM      0  HD2 TYR A  20       5.829 -11.358  -1.239  1.00  1.00           H   new
ATOM      0  HE1 TYR A  20      10.476 -13.087  -1.339  1.00  1.00           H   new
ATOM      0  HE2 TYR A  20       6.592 -12.963   0.490  1.00  1.00           H   new
ATOM      0  HH  TYR A  20       8.270 -14.204   1.270  1.00  1.00           H   new
ATOM    304  N   SER A  21       6.523  -7.368  -4.012  1.00  1.00           N
ATOM    305  CA  SER A  21       6.004  -6.392  -5.018  1.00  1.00           C
ATOM    306  C   SER A  21       5.761  -5.022  -4.370  1.00  1.00           C
ATOM    307  O   SER A  21       4.636  -4.569  -4.242  1.00  1.00           O
ATOM    308  CB  SER A  21       4.691  -6.924  -5.597  1.00  1.00           C
ATOM    309  OG  SER A  21       4.537  -6.443  -6.926  1.00  1.00           O
ATOM      0  H   SER A  21       5.979  -7.439  -3.152  1.00  1.00           H   new
ATOM      0  HA  SER A  21       6.743  -6.273  -5.810  1.00  1.00           H   new
ATOM      0  HB2 SER A  21       4.692  -8.014  -5.590  1.00  1.00           H   new
ATOM      0  HB3 SER A  21       3.851  -6.602  -4.981  1.00  1.00           H   new
ATOM      0  HG  SER A  21       3.698  -6.782  -7.302  1.00  1.00           H   new
ATOM    315  N   PRO A  22       6.811  -4.346  -3.998  1.00  1.00           N
ATOM    316  CA  PRO A  22       6.715  -2.993  -3.389  1.00  1.00           C
ATOM    317  C   PRO A  22       6.348  -1.941  -4.435  1.00  1.00           C
ATOM    318  O   PRO A  22       5.833  -0.885  -4.125  1.00  1.00           O
ATOM    319  CB  PRO A  22       8.115  -2.731  -2.841  1.00  1.00           C
ATOM    320  CG  PRO A  22       9.030  -3.606  -3.635  1.00  1.00           C
ATOM    321  CD  PRO A  22       8.204  -4.800  -4.119  1.00  1.00           C
ATOM      0  HA  PRO A  22       5.942  -2.941  -2.623  1.00  1.00           H   new
ATOM      0  HB2 PRO A  22       8.387  -1.681  -2.948  1.00  1.00           H   new
ATOM      0  HB3 PRO A  22       8.170  -2.968  -1.779  1.00  1.00           H   new
ATOM      0  HG2 PRO A  22       9.448  -3.059  -4.480  1.00  1.00           H   new
ATOM      0  HG3 PRO A  22       9.869  -3.940  -3.025  1.00  1.00           H   new
ATOM      0  HD2 PRO A  22       8.449  -5.063  -5.148  1.00  1.00           H   new
ATOM      0  HD3 PRO A  22       8.389  -5.685  -3.511  1.00  1.00           H   new
ATOM    329  N   LYS A  23       6.623  -2.233  -5.679  1.00  1.00           N
ATOM    330  CA  LYS A  23       6.314  -1.271  -6.771  1.00  1.00           C
ATOM    331  C   LYS A  23       4.815  -0.969  -6.811  1.00  1.00           C
ATOM    332  O   LYS A  23       4.410   0.136  -7.117  1.00  1.00           O
ATOM    333  CB  LYS A  23       6.742  -1.870  -8.111  1.00  1.00           C
ATOM    334  CG  LYS A  23       8.263  -2.055  -8.128  1.00  1.00           C
ATOM    335  CD  LYS A  23       8.702  -2.504  -9.523  1.00  1.00           C
ATOM    336  CE  LYS A  23      10.202  -2.810  -9.519  1.00  1.00           C
ATOM    337  NZ  LYS A  23      10.480  -3.941  -8.589  1.00  1.00           N
ATOM      0  H   LYS A  23       7.053  -3.106  -5.985  1.00  1.00           H   new
ATOM      0  HA  LYS A  23       6.857  -0.344  -6.585  1.00  1.00           H   new
ATOM      0  HB2 LYS A  23       6.247  -2.828  -8.267  1.00  1.00           H   new
ATOM      0  HB3 LYS A  23       6.436  -1.216  -8.928  1.00  1.00           H   new
ATOM      0  HG2 LYS A  23       8.758  -1.121  -7.862  1.00  1.00           H   new
ATOM      0  HG3 LYS A  23       8.559  -2.796  -7.385  1.00  1.00           H   new
ATOM      0  HD2 LYS A  23       8.141  -3.389  -9.824  1.00  1.00           H   new
ATOM      0  HD3 LYS A  23       8.482  -1.724 -10.252  1.00  1.00           H   new
ATOM      0  HE2 LYS A  23      10.534  -3.064 -10.526  1.00  1.00           H   new
ATOM      0  HE3 LYS A  23      10.763  -1.927  -9.212  1.00  1.00           H   new
ATOM      0  HZ1 LYS A  23      11.382  -4.389  -8.848  1.00  1.00           H   new
ATOM      0  HZ2 LYS A  23      10.538  -3.583  -7.614  1.00  1.00           H   new
ATOM      0  HZ3 LYS A  23       9.714  -4.641  -8.655  1.00  1.00           H   new
ATOM    351  N   TYR A  24       3.980  -1.934  -6.520  1.00  1.00           N
ATOM    352  CA  TYR A  24       2.515  -1.664  -6.566  1.00  1.00           C
ATOM    353  C   TYR A  24       1.958  -1.548  -5.148  1.00  1.00           C
ATOM    354  O   TYR A  24       0.941  -0.924  -4.929  1.00  1.00           O
ATOM    355  CB  TYR A  24       1.816  -2.818  -7.287  1.00  1.00           C
ATOM    356  CG  TYR A  24       2.557  -3.136  -8.563  1.00  1.00           C
ATOM    357  CD1 TYR A  24       3.677  -3.975  -8.530  1.00  1.00           C
ATOM    358  CD2 TYR A  24       2.124  -2.596  -9.780  1.00  1.00           C
ATOM    359  CE1 TYR A  24       4.364  -4.273  -9.713  1.00  1.00           C
ATOM    360  CE2 TYR A  24       2.811  -2.894 -10.962  1.00  1.00           C
ATOM    361  CZ  TYR A  24       3.932  -3.734 -10.930  1.00  1.00           C
ATOM    362  OH  TYR A  24       4.609  -4.026 -12.096  1.00  1.00           O
ATOM      0  H   TYR A  24       4.246  -2.883  -6.257  1.00  1.00           H   new
ATOM      0  HA  TYR A  24       2.339  -0.728  -7.097  1.00  1.00           H   new
ATOM      0  HB2 TYR A  24       1.784  -3.697  -6.643  1.00  1.00           H   new
ATOM      0  HB3 TYR A  24       0.784  -2.549  -7.511  1.00  1.00           H   new
ATOM      0  HD1 TYR A  24       4.011  -4.393  -7.592  1.00  1.00           H   new
ATOM      0  HD2 TYR A  24       1.259  -1.949  -9.806  1.00  1.00           H   new
ATOM      0  HE1 TYR A  24       5.229  -4.920  -9.686  1.00  1.00           H   new
ATOM      0  HE2 TYR A  24       2.477  -2.476 -11.900  1.00  1.00           H   new
ATOM      0  HH  TYR A  24       4.176  -3.571 -12.848  1.00  1.00           H   new
ATOM    372  N   MET A  25       2.618  -2.101  -4.168  1.00  1.00           N
ATOM    373  CA  MET A  25       2.090  -1.950  -2.783  1.00  1.00           C
ATOM    374  C   MET A  25       2.294  -0.500  -2.351  1.00  1.00           C
ATOM    375  O   MET A  25       1.419   0.127  -1.788  1.00  1.00           O
ATOM    376  CB  MET A  25       2.837  -2.878  -1.824  1.00  1.00           C
ATOM    377  CG  MET A  25       2.465  -4.337  -2.111  1.00  1.00           C
ATOM    378  SD  MET A  25       0.696  -4.591  -1.817  1.00  1.00           S
ATOM    379  CE  MET A  25       0.733  -4.535  -0.006  1.00  1.00           C
ATOM      0  H   MET A  25       3.480  -2.639  -4.261  1.00  1.00           H   new
ATOM      0  HA  MET A  25       1.032  -2.212  -2.762  1.00  1.00           H   new
ATOM      0  HB2 MET A  25       3.913  -2.740  -1.935  1.00  1.00           H   new
ATOM      0  HB3 MET A  25       2.588  -2.626  -0.793  1.00  1.00           H   new
ATOM      0  HG2 MET A  25       2.711  -4.588  -3.143  1.00  1.00           H   new
ATOM      0  HG3 MET A  25       3.048  -5.002  -1.474  1.00  1.00           H   new
ATOM      0  HE1 MET A  25      -0.273  -4.691   0.383  1.00  1.00           H   new
ATOM      0  HE2 MET A  25       1.393  -5.317   0.369  1.00  1.00           H   new
ATOM      0  HE3 MET A  25       1.101  -3.562   0.320  1.00  1.00           H   new
ATOM    389  N   GLY A  26       3.446   0.047  -2.629  1.00  1.00           N
ATOM    390  CA  GLY A  26       3.715   1.459  -2.255  1.00  1.00           C
ATOM    391  C   GLY A  26       2.719   2.367  -2.974  1.00  1.00           C
ATOM    392  O   GLY A  26       2.435   3.464  -2.536  1.00  1.00           O
ATOM      0  H   GLY A  26       4.215  -0.429  -3.102  1.00  1.00           H   new
ATOM      0  HA2 GLY A  26       3.627   1.585  -1.176  1.00  1.00           H   new
ATOM      0  HA3 GLY A  26       4.735   1.732  -2.526  1.00  1.00           H   new
ATOM    396  N   HIS A  27       2.194   1.919  -4.079  1.00  1.00           N
ATOM    397  CA  HIS A  27       1.222   2.751  -4.835  1.00  1.00           C
ATOM    398  C   HIS A  27      -0.198   2.445  -4.361  1.00  1.00           C
ATOM    399  O   HIS A  27      -1.121   3.191  -4.622  1.00  1.00           O
ATOM    400  CB  HIS A  27       1.338   2.445  -6.327  1.00  1.00           C
ATOM    401  CG  HIS A  27       0.453   3.387  -7.091  1.00  1.00           C
ATOM    402  ND1 HIS A  27      -0.853   3.291  -7.501  1.00  1.00           N   flip
ATOM    403  CD2 HIS A  27       0.892   4.634  -7.513  1.00  1.00           C   flip
ATOM    404  CE1 HIS A  27      -1.218   4.456  -8.162  1.00  1.00           C   flip
ATOM    405  NE2 HIS A  27      -0.133   5.234  -8.144  1.00  1.00           N   flip
ATOM      0  H   HIS A  27       2.398   1.009  -4.492  1.00  1.00           H   new
ATOM      0  HA  HIS A  27       1.441   3.805  -4.662  1.00  1.00           H   new
ATOM      0  HB2 HIS A  27       2.372   2.552  -6.654  1.00  1.00           H   new
ATOM      0  HB3 HIS A  27       1.047   1.413  -6.523  1.00  1.00           H   new
ATOM      0  HD1 HIS A  27      -1.462   2.488  -7.344  1.00  1.00           H   new
ATOM      0  HD2 HIS A  27       1.878   5.048  -7.362  1.00  1.00           H   new
ATOM      0  HE1 HIS A  27      -2.179   4.685  -8.599  1.00  1.00           H   new
ATOM    413  N   TYR A  28      -0.384   1.351  -3.674  1.00  1.00           N
ATOM    414  CA  TYR A  28      -1.749   1.004  -3.193  1.00  1.00           C
ATOM    415  C   TYR A  28      -1.749   0.929  -1.673  1.00  1.00           C
ATOM    416  O   TYR A  28      -2.637   1.436  -1.017  1.00  1.00           O
ATOM    417  CB  TYR A  28      -2.160  -0.346  -3.772  1.00  1.00           C
ATOM    418  CG  TYR A  28      -2.724  -0.149  -5.155  1.00  1.00           C
ATOM    419  CD1 TYR A  28      -1.867  -0.090  -6.261  1.00  1.00           C
ATOM    420  CD2 TYR A  28      -4.108  -0.036  -5.333  1.00  1.00           C
ATOM    421  CE1 TYR A  28      -2.393   0.087  -7.543  1.00  1.00           C
ATOM    422  CE2 TYR A  28      -4.634   0.138  -6.618  1.00  1.00           C
ATOM    423  CZ  TYR A  28      -3.778   0.198  -7.723  1.00  1.00           C
ATOM    424  OH  TYR A  28      -4.297   0.365  -8.989  1.00  1.00           O
ATOM      0  H   TYR A  28       0.348   0.685  -3.426  1.00  1.00           H   new
ATOM      0  HA  TYR A  28      -2.455   1.769  -3.516  1.00  1.00           H   new
ATOM      0  HB2 TYR A  28      -1.300  -1.014  -3.810  1.00  1.00           H   new
ATOM      0  HB3 TYR A  28      -2.902  -0.819  -3.129  1.00  1.00           H   new
ATOM      0  HD1 TYR A  28      -0.800  -0.181  -6.123  1.00  1.00           H   new
ATOM      0  HD2 TYR A  28      -4.769  -0.083  -4.480  1.00  1.00           H   new
ATOM      0  HE1 TYR A  28      -1.732   0.138  -8.395  1.00  1.00           H   new
ATOM      0  HE2 TYR A  28      -5.701   0.226  -6.757  1.00  1.00           H   new
ATOM      0  HH  TYR A  28      -5.274   0.423  -8.937  1.00  1.00           H   new
ATOM    434  N   CYS A  29      -0.763   0.298  -1.102  1.00  1.00           N
ATOM    435  CA  CYS A  29      -0.719   0.199   0.378  1.00  1.00           C
ATOM    436  C   CYS A  29       0.461   1.006   0.910  1.00  1.00           C
ATOM    437  O   CYS A  29       1.603   0.658   0.705  1.00  1.00           O
ATOM    438  CB  CYS A  29      -0.552  -1.267   0.765  1.00  1.00           C
ATOM    439  SG  CYS A  29      -1.557  -2.291  -0.337  1.00  1.00           S
ATOM      0  H   CYS A  29       0.009  -0.151  -1.594  1.00  1.00           H   new
ATOM      0  HA  CYS A  29      -1.641   0.594   0.805  1.00  1.00           H   new
ATOM      0  HB2 CYS A  29       0.496  -1.557   0.695  1.00  1.00           H   new
ATOM      0  HB3 CYS A  29      -0.856  -1.419   1.801  1.00  1.00           H   new
ATOM    444  N   LYS A  30       0.189   2.079   1.596  1.00  1.00           N
ATOM    445  CA  LYS A  30       1.292   2.907   2.155  1.00  1.00           C
ATOM    446  C   LYS A  30       1.660   2.384   3.547  1.00  1.00           C
ATOM    447  O   LYS A  30       2.815   2.092   3.841  1.00  1.00           O
ATOM    448  CB  LYS A  30       0.836   4.365   2.241  1.00  1.00           C
ATOM    449  CG  LYS A  30      -0.158   4.671   1.110  1.00  1.00           C
ATOM    450  CD  LYS A  30       0.487   4.418  -0.258  1.00  1.00           C
ATOM    451  CE  LYS A  30       1.401   5.589  -0.627  1.00  1.00           C
ATOM    452  NZ  LYS A  30       0.618   6.853  -0.610  1.00  1.00           N
ATOM      0  H   LYS A  30      -0.752   2.419   1.794  1.00  1.00           H   new
ATOM      0  HA  LYS A  30       2.168   2.847   1.509  1.00  1.00           H   new
ATOM      0  HB2 LYS A  30       0.369   4.552   3.208  1.00  1.00           H   new
ATOM      0  HB3 LYS A  30       1.697   5.029   2.169  1.00  1.00           H   new
ATOM      0  HG2 LYS A  30      -1.046   4.048   1.220  1.00  1.00           H   new
ATOM      0  HG3 LYS A  30      -0.486   5.708   1.177  1.00  1.00           H   new
ATOM      0  HD2 LYS A  30       1.060   3.491  -0.234  1.00  1.00           H   new
ATOM      0  HD3 LYS A  30      -0.286   4.295  -1.017  1.00  1.00           H   new
ATOM      0  HE2 LYS A  30       2.230   5.653   0.077  1.00  1.00           H   new
ATOM      0  HE3 LYS A  30       1.833   5.430  -1.615  1.00  1.00           H   new
ATOM      0  HZ1 LYS A  30       0.896   7.444  -1.419  1.00  1.00           H   new
ATOM      0  HZ2 LYS A  30      -0.397   6.634  -0.673  1.00  1.00           H   new
ATOM      0  HZ3 LYS A  30       0.807   7.366   0.275  1.00  1.00           H   new
ATOM    466  N   LYS A  31       0.681   2.264   4.410  1.00  1.00           N
ATOM    467  CA  LYS A  31       0.944   1.752   5.782  1.00  1.00           C
ATOM    468  C   LYS A  31       1.411   0.302   5.697  1.00  1.00           C
ATOM    469  O   LYS A  31       2.385  -0.090   6.312  1.00  1.00           O
ATOM    470  CB  LYS A  31      -0.347   1.811   6.596  1.00  1.00           C
ATOM    471  CG  LYS A  31      -0.619   3.259   7.003  1.00  1.00           C
ATOM    472  CD  LYS A  31      -2.122   3.483   7.189  1.00  1.00           C
ATOM    473  CE  LYS A  31      -2.480   3.412   8.674  1.00  1.00           C
ATOM    474  NZ  LYS A  31      -1.725   4.462   9.417  1.00  1.00           N
ATOM      0  H   LYS A  31      -0.292   2.501   4.218  1.00  1.00           H   new
ATOM      0  HA  LYS A  31       1.712   2.361   6.259  1.00  1.00           H   new
ATOM      0  HB2 LYS A  31      -1.179   1.423   6.009  1.00  1.00           H   new
ATOM      0  HB3 LYS A  31      -0.262   1.182   7.482  1.00  1.00           H   new
ATOM      0  HG2 LYS A  31      -0.092   3.489   7.929  1.00  1.00           H   new
ATOM      0  HG3 LYS A  31      -0.235   3.937   6.241  1.00  1.00           H   new
ATOM      0  HD2 LYS A  31      -2.407   4.454   6.784  1.00  1.00           H   new
ATOM      0  HD3 LYS A  31      -2.682   2.730   6.635  1.00  1.00           H   new
ATOM      0  HE2 LYS A  31      -3.552   3.556   8.808  1.00  1.00           H   new
ATOM      0  HE3 LYS A  31      -2.239   2.426   9.071  1.00  1.00           H   new
ATOM      0  HZ1 LYS A  31      -2.313   4.830  10.192  1.00  1.00           H   new
ATOM      0  HZ2 LYS A  31      -0.854   4.051   9.809  1.00  1.00           H   new
ATOM      0  HZ3 LYS A  31      -1.481   5.238   8.769  1.00  1.00           H   new
ATOM    488  N   ALA A  32       0.716  -0.496   4.939  1.00  1.00           N
ATOM    489  CA  ALA A  32       1.095  -1.928   4.807  1.00  1.00           C
ATOM    490  C   ALA A  32       2.521  -2.029   4.269  1.00  1.00           C
ATOM    491  O   ALA A  32       3.184  -3.036   4.428  1.00  1.00           O
ATOM    492  CB  ALA A  32       0.122  -2.618   3.852  1.00  1.00           C
ATOM      0  H   ALA A  32      -0.104  -0.216   4.401  1.00  1.00           H   new
ATOM      0  HA  ALA A  32       1.049  -2.416   5.781  1.00  1.00           H   new
ATOM      0  HB1 ALA A  32       0.395  -3.668   3.751  1.00  1.00           H   new
ATOM      0  HB2 ALA A  32      -0.891  -2.542   4.247  1.00  1.00           H   new
ATOM      0  HB3 ALA A  32       0.167  -2.136   2.875  1.00  1.00           H   new
ATOM    498  N   CYS A  33       3.007  -0.990   3.644  1.00  1.00           N
ATOM    499  CA  CYS A  33       4.397  -1.020   3.112  1.00  1.00           C
ATOM    500  C   CYS A  33       5.272  -0.116   3.977  1.00  1.00           C
ATOM    501  O   CYS A  33       4.835   0.410   4.981  1.00  1.00           O
ATOM    502  CB  CYS A  33       4.409  -0.505   1.673  1.00  1.00           C
ATOM    503  SG  CYS A  33       5.107  -1.758   0.572  1.00  1.00           S
ATOM      0  H   CYS A  33       2.499  -0.121   3.479  1.00  1.00           H   new
ATOM      0  HA  CYS A  33       4.777  -2.042   3.131  1.00  1.00           H   new
ATOM      0  HB2 CYS A  33       3.395  -0.257   1.359  1.00  1.00           H   new
ATOM      0  HB3 CYS A  33       4.995   0.412   1.611  1.00  1.00           H   new
ATOM    508  N   GLY A  34       6.504   0.065   3.603  1.00  1.00           N
ATOM    509  CA  GLY A  34       7.403   0.931   4.412  1.00  1.00           C
ATOM    510  C   GLY A  34       7.111   2.405   4.124  1.00  1.00           C
ATOM    511  O   GLY A  34       7.977   3.248   4.260  1.00  1.00           O
ATOM      0  H   GLY A  34       6.929  -0.348   2.773  1.00  1.00           H   new
ATOM      0  HA2 GLY A  34       7.262   0.725   5.473  1.00  1.00           H   new
ATOM      0  HA3 GLY A  34       8.444   0.706   4.179  1.00  1.00           H   new
ATOM    515  N   LEU A  35       5.906   2.743   3.734  1.00  1.00           N
ATOM    516  CA  LEU A  35       5.616   4.178   3.458  1.00  1.00           C
ATOM    517  C   LEU A  35       4.994   4.804   4.702  1.00  1.00           C
ATOM    518  O   LEU A  35       5.064   5.999   4.909  1.00  1.00           O
ATOM    519  CB  LEU A  35       4.633   4.299   2.294  1.00  1.00           C
ATOM    520  CG  LEU A  35       5.131   3.476   1.104  1.00  1.00           C
ATOM    521  CD1 LEU A  35       4.368   3.884  -0.158  1.00  1.00           C
ATOM    522  CD2 LEU A  35       6.627   3.717   0.890  1.00  1.00           C
ATOM      0  H   LEU A  35       5.127   2.099   3.598  1.00  1.00           H   new
ATOM      0  HA  LEU A  35       6.543   4.690   3.199  1.00  1.00           H   new
ATOM      0  HB2 LEU A  35       3.647   3.950   2.601  1.00  1.00           H   new
ATOM      0  HB3 LEU A  35       4.525   5.344   2.005  1.00  1.00           H   new
ATOM      0  HG  LEU A  35       4.962   2.419   1.309  1.00  1.00           H   new
ATOM      0 HD11 LEU A  35       4.724   3.297  -1.004  1.00  1.00           H   new
ATOM      0 HD12 LEU A  35       3.303   3.703  -0.014  1.00  1.00           H   new
ATOM      0 HD13 LEU A  35       4.533   4.943  -0.356  1.00  1.00           H   new
ATOM      0 HD21 LEU A  35       6.973   3.127   0.041  1.00  1.00           H   new
ATOM      0 HD22 LEU A  35       6.800   4.775   0.692  1.00  1.00           H   new
ATOM      0 HD23 LEU A  35       7.175   3.421   1.785  1.00  1.00           H   new
ATOM    534  N   CYS A  36       4.386   4.006   5.535  1.00  1.00           N
ATOM    535  CA  CYS A  36       3.759   4.563   6.764  1.00  1.00           C
ATOM    536  C   CYS A  36       3.399   3.426   7.724  1.00  1.00           C
ATOM    537  O   CYS A  36       2.712   3.631   8.704  1.00  1.00           O
ATOM    538  CB  CYS A  36       2.496   5.326   6.371  1.00  1.00           C
ATOM    539  SG  CYS A  36       2.625   7.048   6.921  1.00  1.00           S
ATOM      0  H   CYS A  36       4.297   2.997   5.418  1.00  1.00           H   new
ATOM      0  HA  CYS A  36       4.458   5.236   7.261  1.00  1.00           H   new
ATOM      0  HB2 CYS A  36       2.359   5.289   5.290  1.00  1.00           H   new
ATOM      0  HB3 CYS A  36       1.621   4.856   6.820  1.00  1.00           H   new
ATOM      0  HG  CYS A  36       1.549   7.694   6.582  1.00  1.00           H   new