USER  MOD reduce.3.24.130724 H: found=0, std=0, add=135, rem=0, adj=1
USER  MOD reduce.3.24.130724 removed 118 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 Single : A   1 GLY N   :NH3+   -165:sc= -0.0669   (180deg=-0.37)
USER  MOD Single : A  12 ASN     :      amide:sc= -0.0278  X(o=-0.028,f=0)
USER  MOD Single : A  17 MET CE  :methyl  180:sc=       0   (180deg=0)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   GLY A   1     -14.762  -3.219   0.870  1.00 11.00           N
ATOM      2  CA  GLY A   1     -14.342  -1.828   0.866  1.00  3.05           C
ATOM      3  C   GLY A   1     -12.917  -1.683   1.406  1.00 31.40           C
ATOM      4  O   GLY A   1     -12.204  -0.749   1.044  1.00  1.02           O
ATOM      0  H1  GLY A   1     -15.610  -3.327   0.277  1.00 11.00           H   new
ATOM      0  H2  GLY A   1     -13.997  -3.814   0.492  1.00 11.00           H   new
ATOM      0  H3  GLY A   1     -14.980  -3.513   1.843  1.00 11.00           H   new
ATOM      0  HA2 GLY A   1     -14.392  -1.432  -0.148  1.00  3.05           H   new
ATOM      0  HA3 GLY A   1     -15.027  -1.236   1.473  1.00  3.05           H   new
ATOM      8  N   LEU A   2     -12.547  -2.622   2.265  1.00 40.43           N
ATOM      9  CA  LEU A   2     -11.221  -2.610   2.859  1.00 14.30           C
ATOM     10  C   LEU A   2     -10.199  -3.083   1.823  1.00 40.21           C
ATOM     11  O   LEU A   2      -9.182  -2.426   1.604  1.00 73.23           O
ATOM     12  CB  LEU A   2     -11.207  -3.426   4.153  1.00 41.44           C
ATOM     13  CG  LEU A   2     -10.237  -2.948   5.237  1.00 33.22           C
ATOM     14  CD1 LEU A   2     -10.834  -1.783   6.030  1.00 14.53           C
ATOM     15  CD2 LEU A   2      -9.818  -4.105   6.146  1.00 41.21           C
ATOM      0  H   LEU A   2     -13.142  -3.395   2.563  1.00 40.43           H   new
ATOM      0  HA  LEU A   2     -10.940  -1.596   3.145  1.00 14.30           H   new
ATOM      0  HB2 LEU A   2     -12.214  -3.427   4.569  1.00 41.44           H   new
ATOM      0  HB3 LEU A   2     -10.963  -4.459   3.905  1.00 41.44           H   new
ATOM      0  HG  LEU A   2      -9.335  -2.578   4.750  1.00 33.22           H   new
ATOM      0 HD11 LEU A   2     -10.126  -1.462   6.794  1.00 14.53           H   new
ATOM      0 HD12 LEU A   2     -11.042  -0.952   5.355  1.00 14.53           H   new
ATOM      0 HD13 LEU A   2     -11.760  -2.104   6.506  1.00 14.53           H   new
ATOM      0 HD21 LEU A   2      -9.129  -3.739   6.907  1.00 41.21           H   new
ATOM      0 HD22 LEU A   2     -10.700  -4.527   6.628  1.00 41.21           H   new
ATOM      0 HD23 LEU A   2      -9.326  -4.875   5.552  1.00 41.21           H   new
ATOM     26  N   PHE A   3     -10.504  -4.219   1.214  1.00 24.10           N
ATOM     27  CA  PHE A   3      -9.624  -4.786   0.206  1.00 32.23           C
ATOM     28  C   PHE A   3      -9.356  -3.782  -0.917  1.00 72.44           C
ATOM     29  O   PHE A   3      -8.353  -3.886  -1.622  1.00 34.33           O
ATOM     30  CB  PHE A   3     -10.341  -6.006  -0.377  1.00 62.12           C
ATOM     31  CG  PHE A   3      -9.410  -7.174  -0.710  1.00 32.41           C
ATOM     32  CD1 PHE A   3      -8.495  -7.051  -1.708  1.00 24.40           C
ATOM     33  CD2 PHE A   3      -9.500  -8.335  -0.008  1.00 55.01           C
ATOM     34  CE1 PHE A   3      -7.632  -8.135  -2.016  1.00  3.04           C
ATOM     35  CE2 PHE A   3      -8.637  -9.419  -0.316  1.00  4.33           C
ATOM     36  CZ  PHE A   3      -7.721  -9.297  -1.315  1.00 11.42           C
ATOM      0  H   PHE A   3     -11.347  -4.762   1.399  1.00 24.10           H   new
ATOM      0  HA  PHE A   3      -8.667  -5.051   0.655  1.00 32.23           H   new
ATOM      0  HB2 PHE A   3     -11.094  -6.346   0.334  1.00 62.12           H   new
ATOM      0  HB3 PHE A   3     -10.869  -5.706  -1.282  1.00 62.12           H   new
ATOM      0  HD1 PHE A   3      -8.425  -6.129  -2.266  1.00 24.40           H   new
ATOM      0  HD2 PHE A   3     -10.228  -8.432   0.784  1.00 55.01           H   new
ATOM      0  HE1 PHE A   3      -6.904  -8.037  -2.808  1.00  3.04           H   new
ATOM      0  HE2 PHE A   3      -8.707 -10.341   0.243  1.00  4.33           H   new
ATOM      0  HZ  PHE A   3      -7.065 -10.122  -1.551  1.00 11.42           H   new
ATOM     45  N   GLY A   4     -10.270  -2.832  -1.049  1.00 72.13           N
ATOM     46  CA  GLY A   4     -10.144  -1.810  -2.074  1.00 14.00           C
ATOM     47  C   GLY A   4      -9.341  -0.614  -1.560  1.00 45.14           C
ATOM     48  O   GLY A   4      -8.795   0.157  -2.348  1.00  1.11           O
ATOM      0  H   GLY A   4     -11.101  -2.749  -0.463  1.00 72.13           H   new
ATOM      0  HA2 GLY A   4      -9.655  -2.230  -2.953  1.00 14.00           H   new
ATOM      0  HA3 GLY A   4     -11.135  -1.480  -2.387  1.00 14.00           H   new
ATOM     52  N   ALA A   5      -9.292  -0.496  -0.241  1.00 11.20           N
ATOM     53  CA  ALA A   5      -8.564   0.593   0.387  1.00 52.33           C
ATOM     54  C   ALA A   5      -7.080   0.230   0.465  1.00 42.52           C
ATOM     55  O   ALA A   5      -6.221   1.111   0.475  1.00 73.42           O
ATOM     56  CB  ALA A   5      -9.166   0.883   1.764  1.00  2.01           C
ATOM      0  H   ALA A   5      -9.745  -1.137   0.410  1.00 11.20           H   new
ATOM      0  HA  ALA A   5      -8.650   1.504  -0.205  1.00 52.33           H   new
ATOM      0  HB1 ALA A   5      -8.620   1.700   2.235  1.00  2.01           H   new
ATOM      0  HB2 ALA A   5     -10.213   1.164   1.651  1.00  2.01           H   new
ATOM      0  HB3 ALA A   5      -9.094  -0.008   2.387  1.00  2.01           H   new
ATOM     62  N   ILE A   6      -6.823  -1.068   0.517  1.00 13.20           N
ATOM     63  CA  ILE A   6      -5.457  -1.559   0.593  1.00 60.43           C
ATOM     64  C   ILE A   6      -4.590  -0.799  -0.413  1.00 14.52           C
ATOM     65  O   ILE A   6      -3.476  -0.389  -0.093  1.00 72.24           O
ATOM     66  CB  ILE A   6      -5.422  -3.077   0.413  1.00 12.03           C
ATOM     67  CG1 ILE A   6      -6.332  -3.772   1.428  1.00 22.32           C
ATOM     68  CG2 ILE A   6      -3.987  -3.605   0.476  1.00 64.24           C
ATOM     69  CD1 ILE A   6      -6.055  -5.275   1.475  1.00 31.55           C
ATOM      0  H   ILE A   6      -7.538  -1.796   0.508  1.00 13.20           H   new
ATOM      0  HA  ILE A   6      -5.039  -1.370   1.582  1.00 60.43           H   new
ATOM      0  HB  ILE A   6      -5.808  -3.311  -0.579  1.00 12.03           H   new
ATOM      0 HG12 ILE A   6      -6.177  -3.339   2.416  1.00 22.32           H   new
ATOM      0 HG13 ILE A   6      -7.375  -3.599   1.164  1.00 22.32           H   new
ATOM      0 HG21 ILE A   6      -3.991  -4.687   0.345  1.00 64.24           H   new
ATOM      0 HG22 ILE A   6      -3.395  -3.146  -0.316  1.00 64.24           H   new
ATOM      0 HG23 ILE A   6      -3.551  -3.358   1.444  1.00 64.24           H   new
ATOM      0 HD11 ILE A   6      -6.715  -5.744   2.204  1.00 31.55           H   new
ATOM      0 HD12 ILE A   6      -6.234  -5.709   0.491  1.00 31.55           H   new
ATOM      0 HD13 ILE A   6      -5.018  -5.445   1.763  1.00 31.55           H   new
ATOM     80  N   ALA A   7      -5.135  -0.636  -1.610  1.00 71.34           N
ATOM     81  CA  ALA A   7      -4.425   0.067  -2.666  1.00 73.34           C
ATOM     82  C   ALA A   7      -3.840   1.365  -2.104  1.00 15.15           C
ATOM     83  O   ALA A   7      -2.697   1.711  -2.395  1.00 64.24           O
ATOM     84  CB  ALA A   7      -5.373   0.314  -3.841  1.00 60.24           C
ATOM      0  H   ALA A   7      -6.059  -0.978  -1.872  1.00 71.34           H   new
ATOM      0  HA  ALA A   7      -3.595  -0.534  -3.038  1.00 73.34           H   new
ATOM      0  HB1 ALA A   7      -4.841   0.841  -4.633  1.00 60.24           H   new
ATOM      0  HB2 ALA A   7      -5.737  -0.640  -4.221  1.00 60.24           H   new
ATOM      0  HB3 ALA A   7      -6.217   0.917  -3.507  1.00 60.24           H   new
ATOM     90  N   GLY A   8      -4.652   2.047  -1.310  1.00 71.23           N
ATOM     91  CA  GLY A   8      -4.229   3.299  -0.705  1.00 23.53           C
ATOM     92  C   GLY A   8      -3.091   3.071   0.291  1.00 13.04           C
ATOM     93  O   GLY A   8      -2.249   3.944   0.488  1.00 62.15           O
ATOM      0  H   GLY A   8      -5.600   1.757  -1.071  1.00 71.23           H   new
ATOM      0  HA2 GLY A   8      -3.903   3.991  -1.482  1.00 23.53           H   new
ATOM      0  HA3 GLY A   8      -5.073   3.765  -0.197  1.00 23.53           H   new
ATOM     97  N   PHE A   9      -3.102   1.889   0.893  1.00 60.44           N
ATOM     98  CA  PHE A   9      -2.080   1.535   1.863  1.00 34.40           C
ATOM     99  C   PHE A   9      -0.778   1.137   1.168  1.00 11.44           C
ATOM    100  O   PHE A   9       0.299   1.241   1.753  1.00 42.12           O
ATOM    101  CB  PHE A   9      -2.611   0.337   2.652  1.00 14.34           C
ATOM    102  CG  PHE A   9      -2.103   0.266   4.094  1.00 43.12           C
ATOM    103  CD1 PHE A   9      -0.784   0.046   4.340  1.00 41.55           C
ATOM    104  CD2 PHE A   9      -2.970   0.423   5.129  1.00 61.14           C
ATOM    105  CE1 PHE A   9      -0.312  -0.018   5.677  1.00 54.43           C
ATOM    106  CE2 PHE A   9      -2.498   0.358   6.467  1.00 74.22           C
ATOM    107  CZ  PHE A   9      -1.179   0.139   6.714  1.00  4.25           C
ATOM      0  H   PHE A   9      -3.802   1.166   0.727  1.00 60.44           H   new
ATOM      0  HA  PHE A   9      -1.868   2.387   2.509  1.00 34.40           H   new
ATOM      0  HB2 PHE A   9      -3.700   0.376   2.663  1.00 14.34           H   new
ATOM      0  HB3 PHE A   9      -2.330  -0.580   2.133  1.00 14.34           H   new
ATOM      0  HD1 PHE A   9      -0.095  -0.080   3.518  1.00 41.55           H   new
ATOM      0  HD2 PHE A   9      -4.018   0.597   4.934  1.00 61.14           H   new
ATOM      0  HE1 PHE A   9       0.736  -0.191   5.871  1.00 54.43           H   new
ATOM      0  HE2 PHE A   9      -3.187   0.483   7.289  1.00 74.22           H   new
ATOM      0  HZ  PHE A   9      -0.820   0.090   7.731  1.00  4.25           H   new
ATOM    116  N   ILE A  10      -0.919   0.689  -0.071  1.00  3.20           N
ATOM    117  CA  ILE A  10       0.234   0.275  -0.853  1.00  0.21           C
ATOM    118  C   ILE A  10       1.224   1.437  -0.949  1.00  4.02           C
ATOM    119  O   ILE A  10       2.427   1.223  -1.091  1.00 14.12           O
ATOM    120  CB  ILE A  10      -0.208  -0.271  -2.213  1.00 72.45           C
ATOM    121  CG1 ILE A  10      -1.185  -1.436  -2.044  1.00  2.21           C
ATOM    122  CG2 ILE A  10       1.000  -0.653  -3.070  1.00 15.30           C
ATOM    123  CD1 ILE A  10      -1.346  -2.209  -3.354  1.00 11.03           C
ATOM      0  H   ILE A  10      -1.814   0.604  -0.553  1.00  3.20           H   new
ATOM      0  HA  ILE A  10       0.753  -0.547  -0.360  1.00  0.21           H   new
ATOM      0  HB  ILE A  10      -0.739   0.520  -2.743  1.00 72.45           H   new
ATOM      0 HG12 ILE A  10      -0.826  -2.107  -1.263  1.00  2.21           H   new
ATOM      0 HG13 ILE A  10      -2.154  -1.058  -1.719  1.00  2.21           H   new
ATOM      0 HG21 ILE A  10       0.658  -1.038  -4.031  1.00 15.30           H   new
ATOM      0 HG22 ILE A  10       1.623   0.226  -3.233  1.00 15.30           H   new
ATOM      0 HG23 ILE A  10       1.581  -1.420  -2.558  1.00 15.30           H   new
ATOM      0 HD11 ILE A  10      -2.045  -3.032  -3.207  1.00 11.03           H   new
ATOM      0 HD12 ILE A  10      -1.728  -1.541  -4.126  1.00 11.03           H   new
ATOM      0 HD13 ILE A  10      -0.379  -2.606  -3.664  1.00 11.03           H   new
ATOM    134  N   GLU A  11       0.681   2.643  -0.869  1.00 41.13           N
ATOM    135  CA  GLU A  11       1.502   3.840  -0.944  1.00  2.43           C
ATOM    136  C   GLU A  11       2.514   3.863   0.203  1.00 63.42           C
ATOM    137  O   GLU A  11       3.530   4.552   0.125  1.00 40.44           O
ATOM    138  CB  GLU A  11       0.636   5.099  -0.937  1.00 65.55           C
ATOM    139  CG  GLU A  11      -0.207   5.193  -2.211  1.00 44.14           C
ATOM    140  CD  GLU A  11      -0.864   6.570  -2.334  1.00 24.32           C
ATOM    141  OE1 GLU A  11      -0.997   7.231  -1.282  1.00 34.14           O
ATOM    142  OE2 GLU A  11      -1.219   6.929  -3.478  1.00 51.33           O
ATOM      0  H   GLU A  11      -0.317   2.817  -0.753  1.00 41.13           H   new
ATOM      0  HA  GLU A  11       2.051   3.822  -1.885  1.00  2.43           H   new
ATOM      0  HB2 GLU A  11      -0.017   5.090  -0.064  1.00 65.55           H   new
ATOM      0  HB3 GLU A  11       1.271   5.981  -0.851  1.00 65.55           H   new
ATOM      0  HG2 GLU A  11       0.422   5.007  -3.082  1.00 44.14           H   new
ATOM      0  HG3 GLU A  11      -0.975   4.419  -2.201  1.00 44.14           H   new
ATOM    147  N   ASN A  12       2.201   3.103   1.242  1.00  4.14           N
ATOM    148  CA  ASN A  12       3.070   3.027   2.403  1.00 73.23           C
ATOM    149  C   ASN A  12       3.663   1.621   2.501  1.00 45.31           C
ATOM    150  O   ASN A  12       4.811   1.454   2.913  1.00 75.53           O
ATOM    151  CB  ASN A  12       2.292   3.302   3.692  1.00 63.12           C
ATOM    152  CG  ASN A  12       2.982   4.382   4.529  1.00 53.01           C
ATOM    153  OD1 ASN A  12       3.440   4.147   5.634  1.00 54.11           O
ATOM    154  ND2 ASN A  12       3.029   5.574   3.942  1.00  5.24           N
ATOM      0  H   ASN A  12       1.357   2.534   1.304  1.00  4.14           H   new
ATOM      0  HA  ASN A  12       3.853   3.776   2.287  1.00 73.23           H   new
ATOM      0  HB2 ASN A  12       1.278   3.618   3.448  1.00 63.12           H   new
ATOM      0  HB3 ASN A  12       2.209   2.384   4.274  1.00 63.12           H   new
ATOM      0 HD21 ASN A  12       3.469   6.361   4.420  1.00  5.24           H   new
ATOM      0 HD22 ASN A  12       2.625   5.702   3.014  1.00  5.24           H   new
ATOM    160  N   ALA A  13       2.856   0.644   2.114  1.00 41.15           N
ATOM    161  CA  ALA A  13       3.287  -0.743   2.153  1.00 12.23           C
ATOM    162  C   ALA A  13       4.239  -1.010   0.985  1.00 24.44           C
ATOM    163  O   ALA A  13       4.934  -2.025   0.964  1.00 64.14           O
ATOM    164  CB  ALA A  13       2.062  -1.659   2.128  1.00 13.41           C
ATOM      0  H   ALA A  13       1.906   0.786   1.772  1.00 41.15           H   new
ATOM      0  HA  ALA A  13       3.830  -0.950   3.075  1.00 12.23           H   new
ATOM      0  HB1 ALA A  13       2.385  -2.700   2.157  1.00 13.41           H   new
ATOM      0  HB2 ALA A  13       1.433  -1.450   2.994  1.00 13.41           H   new
ATOM      0  HB3 ALA A  13       1.493  -1.481   1.215  1.00 13.41           H   new
ATOM    170  N   TRP A  14       4.239  -0.081   0.039  1.00 54.14           N
ATOM    171  CA  TRP A  14       5.093  -0.203  -1.129  1.00  3.34           C
ATOM    172  C   TRP A  14       6.303   0.713  -0.929  1.00 33.11           C
ATOM    173  O   TRP A  14       7.396   0.243  -0.617  1.00 14.30           O
ATOM    174  CB  TRP A  14       4.316   0.105  -2.411  1.00 42.44           C
ATOM    175  CG  TRP A  14       5.048  -0.294  -3.694  1.00  0.24           C
ATOM    176  CD1 TRP A  14       6.052  -1.171  -3.832  1.00 43.24           C
ATOM    177  CD2 TRP A  14       4.791   0.207  -5.022  1.00 60.12           C
ATOM    178  NE1 TRP A  14       6.459  -1.270  -5.147  1.00 14.24           N
ATOM    179  CE2 TRP A  14       5.668  -0.405  -5.893  1.00  5.05           C
ATOM    180  CE3 TRP A  14       3.848   1.149  -5.473  1.00 54.21           C
ATOM    181  CZ2 TRP A  14       5.689  -0.145  -7.269  1.00 11.00           C
ATOM    182  CZ3 TRP A  14       3.882   1.397  -6.850  1.00 44.23           C
ATOM    183  CH2 TRP A  14       4.759   0.789  -7.741  1.00 12.24           C
ATOM      0  H   TRP A  14       3.661   0.759   0.059  1.00 54.14           H   new
ATOM      0  HA  TRP A  14       5.447  -1.228  -1.242  1.00  3.34           H   new
ATOM      0  HB2 TRP A  14       3.357  -0.413  -2.376  1.00 42.44           H   new
ATOM      0  HB3 TRP A  14       4.100   1.173  -2.445  1.00 42.44           H   new
ATOM      0  HD1 TRP A  14       6.488  -1.730  -3.017  1.00 43.24           H   new
ATOM      0  HE1 TRP A  14       7.203  -1.868  -5.505  1.00 14.24           H   new
ATOM      0  HE3 TRP A  14       3.153   1.642  -4.809  1.00 54.21           H   new
ATOM      0  HZ2 TRP A  14       6.385  -0.639  -7.931  1.00 11.00           H   new
ATOM      0  HZ3 TRP A  14       3.177   2.111  -7.249  1.00 44.23           H   new
ATOM      0  HH2 TRP A  14       4.723   1.036  -8.792  1.00 12.24           H   new
ATOM    193  N   GLU A  15       6.066   2.003  -1.117  1.00 33.34           N
ATOM    194  CA  GLU A  15       7.122   2.988  -0.961  1.00 12.20           C
ATOM    195  C   GLU A  15       8.029   2.612   0.213  1.00 73.41           C
ATOM    196  O   GLU A  15       9.233   2.858   0.176  1.00 62.51           O
ATOM    197  CB  GLU A  15       6.539   4.391  -0.776  1.00  4.45           C
ATOM    198  CG  GLU A  15       7.546   5.462  -1.203  1.00 11.12           C
ATOM    199  CD  GLU A  15       8.128   6.183   0.014  1.00 44.33           C
ATOM    200  OE1 GLU A  15       7.524   7.201   0.413  1.00 62.51           O
ATOM    201  OE2 GLU A  15       9.165   5.700   0.517  1.00 33.32           O
ATOM      0  H   GLU A  15       5.158   2.389  -1.376  1.00 33.34           H   new
ATOM      0  HA  GLU A  15       7.723   2.996  -1.871  1.00 12.20           H   new
ATOM      0  HB2 GLU A  15       5.626   4.490  -1.363  1.00  4.45           H   new
ATOM      0  HB3 GLU A  15       6.264   4.540   0.268  1.00  4.45           H   new
ATOM      0  HG2 GLU A  15       8.350   5.002  -1.777  1.00 11.12           H   new
ATOM      0  HG3 GLU A  15       7.059   6.183  -1.859  1.00 11.12           H   new
ATOM    206  N   GLY A  16       7.415   2.022   1.228  1.00 73.33           N
ATOM    207  CA  GLY A  16       8.152   1.610   2.411  1.00 41.12           C
ATOM    208  C   GLY A  16       9.147   0.496   2.078  1.00 21.43           C
ATOM    209  O   GLY A  16      10.335   0.611   2.372  1.00 64.23           O
ATOM      0  H   GLY A  16       6.416   1.819   1.256  1.00 73.33           H   new
ATOM      0  HA2 GLY A  16       8.684   2.465   2.828  1.00 41.12           H   new
ATOM      0  HA3 GLY A  16       7.456   1.264   3.175  1.00 41.12           H   new
ATOM    213  N   MET A  17       8.624  -0.557   1.466  1.00 74.32           N
ATOM    214  CA  MET A  17       9.450  -1.690   1.090  1.00  3.34           C
ATOM    215  C   MET A  17      10.416  -1.314  -0.037  1.00 75.21           C
ATOM    216  O   MET A  17      11.305  -2.091  -0.382  1.00 53.04           O
ATOM    217  CB  MET A  17       8.556  -2.844   0.632  1.00  1.12           C
ATOM    218  CG  MET A  17       9.372  -3.913  -0.098  1.00 12.23           C
ATOM    219  SD  MET A  17       8.460  -5.447  -0.151  1.00 53.51           S
ATOM    220  CE  MET A  17       9.629  -6.473  -1.026  1.00  1.53           C
ATOM      0  H   MET A  17       7.638  -0.648   1.222  1.00 74.32           H   new
ATOM      0  HA  MET A  17      10.034  -1.994   1.958  1.00  3.34           H   new
ATOM      0  HB2 MET A  17       8.058  -3.287   1.494  1.00  1.12           H   new
ATOM      0  HB3 MET A  17       7.775  -2.464  -0.027  1.00  1.12           H   new
ATOM      0  HG2 MET A  17       9.599  -3.580  -1.111  1.00 12.23           H   new
ATOM      0  HG3 MET A  17      10.325  -4.064   0.409  1.00 12.23           H   new
ATOM      0  HE1 MET A  17       9.216  -7.474  -1.146  1.00  1.53           H   new
ATOM      0  HE2 MET A  17       9.828  -6.042  -2.007  1.00  1.53           H   new
ATOM      0  HE3 MET A  17      10.558  -6.530  -0.459  1.00  1.53           H   new
ATOM    228  N   ILE A  18      10.208  -0.123  -0.578  1.00 32.41           N
ATOM    229  CA  ILE A  18      11.048   0.365  -1.658  1.00 51.34           C
ATOM    230  C   ILE A  18      12.136   1.273  -1.081  1.00 33.41           C
ATOM    231  O   ILE A  18      13.221   1.386  -1.648  1.00  3.02           O
ATOM    232  CB  ILE A  18      10.197   1.035  -2.739  1.00 42.01           C
ATOM    233  CG1 ILE A  18       9.109   0.086  -3.247  1.00 74.22           C
ATOM    234  CG2 ILE A  18      11.073   1.565  -3.877  1.00 13.32           C
ATOM    235  CD1 ILE A  18       9.629  -0.778  -4.398  1.00 72.55           C
ATOM      0  H   ILE A  18       9.470   0.519  -0.289  1.00 32.41           H   new
ATOM      0  HA  ILE A  18      11.553  -0.465  -2.152  1.00 51.34           H   new
ATOM      0  HB  ILE A  18       9.694   1.893  -2.294  1.00 42.01           H   new
ATOM      0 HG12 ILE A  18       8.770  -0.553  -2.432  1.00 74.22           H   new
ATOM      0 HG13 ILE A  18       8.246   0.662  -3.581  1.00 74.22           H   new
ATOM      0 HG21 ILE A  18      10.443   2.036  -4.632  1.00 13.32           H   new
ATOM      0 HG22 ILE A  18      11.777   2.298  -3.483  1.00 13.32           H   new
ATOM      0 HG23 ILE A  18      11.623   0.739  -4.328  1.00 13.32           H   new
ATOM      0 HD11 ILE A  18       8.836  -1.443  -4.740  1.00 72.55           H   new
ATOM      0 HD12 ILE A  18       9.945  -0.136  -5.221  1.00 72.55           H   new
ATOM      0 HD13 ILE A  18      10.477  -1.371  -4.054  1.00 72.55           H   new
ATOM    246  N   ASP A  19      11.807   1.897   0.040  1.00 71.13           N
ATOM    247  CA  ASP A  19      12.742   2.792   0.701  1.00 61.12           C
ATOM    248  C   ASP A  19      13.385   3.709  -0.341  1.00 41.41           C
ATOM    249  O   ASP A  19      14.562   3.554  -0.669  1.00 75.42           O
ATOM    250  CB  ASP A  19      13.858   2.008   1.394  1.00 60.35           C
ATOM    251  CG  ASP A  19      14.843   2.859   2.200  1.00 24.31           C
ATOM    252  OD1 ASP A  19      14.777   4.098   2.048  1.00 33.20           O
ATOM    253  OD2 ASP A  19      15.639   2.251   2.947  1.00 22.52           O
ATOM      0  H   ASP A  19      10.906   1.801   0.508  1.00 71.13           H   new
ATOM      0  HA  ASP A  19      12.191   3.368   1.444  1.00 61.12           H   new
ATOM      0  HB2 ASP A  19      13.406   1.274   2.061  1.00 60.35           H   new
ATOM      0  HB3 ASP A  19      14.414   1.453   0.639  1.00 60.35           H   new
ATOM    257  N   GLY A  20      12.587   4.646  -0.832  1.00  1.23           N
ATOM    258  CA  GLY A  20      13.064   5.588  -1.830  1.00 25.13           C
ATOM    259  C   GLY A  20      11.901   6.363  -2.453  1.00 14.10           C
ATOM    260  O   GLY A  20      11.495   6.082  -3.579  1.00  4.43           O
ATOM      0  H   GLY A  20      11.613   4.773  -0.557  1.00  1.23           H   new
ATOM      0  HA2 GLY A  20      13.766   6.285  -1.371  1.00 25.13           H   new
ATOM      0  HA3 GLY A  20      13.608   5.054  -2.609  1.00 25.13           H   new
TER     264      GLY A  20