USER  MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=9
USER  MOD reduce.3.24.130724 removed 423 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  17 TYR OH  :   rot  165:sc=   0.127
USER  MOD Set 1.2: A  43 LYS NZ  :NH3+   -169:sc= -0.0101   (180deg=-0.523)
USER  MOD Single : A   7 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  11 THR OG1 :   rot  -99:sc=    0.93
USER  MOD Single : A  12 ASN     :      amide:sc=   0.926  K(o=0.93,f=-13!)
USER  MOD Single : A  16 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  18 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  25 GLN     :      amide:sc=   -0.29  X(o=-0.29,f=-0.1)
USER  MOD Single : A  28 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  31 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  38 ASN     :      amide:sc= 0.00806  X(o=0.0081,f=0)
USER  MOD Single : A  40 ASN     :      amide:sc=       0  X(o=0,f=-0.41)
USER  MOD Single : A  46 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  50 SER OG  :   rot  180:sc=       0
USER  MOD -----------------------------------------------------------------
ATOM     20  N   ILE A   2       9.186  -4.418   2.416  1.00 52.14           N
ATOM     21  CA  ILE A   2       8.041  -4.138   1.558  1.00 21.52           C
ATOM     22  C   ILE A   2       8.418  -4.384   0.101  1.00 70.01           C
ATOM     23  O   ILE A   2       9.545  -4.105  -0.308  1.00 32.20           O
ATOM     24  CB  ILE A   2       7.537  -2.681   1.720  1.00 43.42           C
ATOM     25  CG1 ILE A   2       7.215  -2.389   3.192  1.00  3.33           C
ATOM     26  CG2 ILE A   2       6.304  -2.434   0.853  1.00 63.12           C
ATOM     27  CD1 ILE A   2       6.748  -0.973   3.455  1.00 52.31           C
ATOM      0  HA  ILE A   2       7.234  -4.807   1.857  1.00 21.52           H   new
ATOM      0  HB  ILE A   2       8.329  -2.008   1.392  1.00 43.42           H   new
ATOM      0 HG12 ILE A   2       6.444  -3.082   3.528  1.00  3.33           H   new
ATOM      0 HG13 ILE A   2       8.103  -2.584   3.793  1.00  3.33           H   new
ATOM      0 HG21 ILE A   2       5.968  -1.405   0.983  1.00 63.12           H   new
ATOM      0 HG22 ILE A   2       6.555  -2.604  -0.194  1.00 63.12           H   new
ATOM      0 HG23 ILE A   2       5.508  -3.116   1.150  1.00 63.12           H   new
ATOM      0 HD11 ILE A   2       6.542  -0.849   4.518  1.00 52.31           H   new
ATOM      0 HD12 ILE A   2       7.525  -0.271   3.152  1.00 52.31           H   new
ATOM      0 HD13 ILE A   2       5.840  -0.777   2.884  1.00 52.31           H   new
ATOM     39  N   PHE A   3       7.477  -4.914  -0.668  1.00 20.50           N
ATOM     40  CA  PHE A   3       7.716  -5.230  -2.071  1.00 34.30           C
ATOM     41  C   PHE A   3       6.617  -4.638  -2.947  1.00 22.52           C
ATOM     42  O   PHE A   3       5.467  -4.515  -2.514  1.00  2.41           O
ATOM     43  CB  PHE A   3       7.777  -6.748  -2.287  1.00 50.54           C
ATOM     44  CG  PHE A   3       8.904  -7.427  -1.564  1.00 33.33           C
ATOM     45  CD1 PHE A   3      10.205  -7.333  -2.038  1.00 30.14           C
ATOM     46  CD2 PHE A   3       8.663  -8.165  -0.418  1.00 51.11           C
ATOM     47  CE1 PHE A   3      11.243  -7.962  -1.379  1.00 20.21           C
ATOM     48  CE2 PHE A   3       9.698  -8.796   0.244  1.00 14.34           C
ATOM     49  CZ  PHE A   3      10.990  -8.694  -0.236  1.00  1.11           C
ATOM      0  H   PHE A   3       6.536  -5.135  -0.343  1.00 20.50           H   new
ATOM      0  HA  PHE A   3       8.675  -4.794  -2.352  1.00 34.30           H   new
ATOM      0  HB2 PHE A   3       6.834  -7.188  -1.962  1.00 50.54           H   new
ATOM      0  HB3 PHE A   3       7.872  -6.948  -3.354  1.00 50.54           H   new
ATOM      0  HD1 PHE A   3      10.408  -6.762  -2.932  1.00 30.14           H   new
ATOM      0  HD2 PHE A   3       7.656  -8.248  -0.038  1.00 51.11           H   new
ATOM      0  HE1 PHE A   3      12.251  -7.881  -1.757  1.00 20.21           H   new
ATOM      0  HE2 PHE A   3       9.498  -9.369   1.137  1.00 14.34           H   new
ATOM      0  HZ  PHE A   3      11.800  -9.186   0.282  1.00  1.11           H   new
ATOM     59  N   PRO A   4       6.960  -4.245  -4.184  1.00 24.33           N
ATOM     60  CA  PRO A   4       5.981  -3.759  -5.157  1.00 73.12           C
ATOM     61  C   PRO A   4       4.938  -4.826  -5.470  1.00  4.14           C
ATOM     62  O   PRO A   4       5.279  -5.971  -5.780  1.00 34.32           O
ATOM     63  CB  PRO A   4       6.819  -3.446  -6.402  1.00 44.31           C
ATOM     64  CG  PRO A   4       8.217  -3.308  -5.904  1.00 44.32           C
ATOM     65  CD  PRO A   4       8.328  -4.242  -4.731  1.00 23.22           C
ATOM      0  HA  PRO A   4       5.427  -2.896  -4.789  1.00 73.12           H   new
ATOM      0  HB2 PRO A   4       6.741  -4.244  -7.141  1.00 44.31           H   new
ATOM      0  HB3 PRO A   4       6.480  -2.530  -6.885  1.00 44.31           H   new
ATOM      0  HG2 PRO A   4       8.936  -3.568  -6.681  1.00 44.32           H   new
ATOM      0  HG3 PRO A   4       8.427  -2.280  -5.607  1.00 44.32           H   new
ATOM      0  HD2 PRO A   4       8.643  -5.240  -5.037  1.00 23.22           H   new
ATOM      0  HD3 PRO A   4       9.055  -3.888  -4.000  1.00 23.22           H   new
ATOM     73  N   GLY A   5       3.672  -4.446  -5.390  1.00 35.51           N
ATOM     74  CA  GLY A   5       2.593  -5.395  -5.570  1.00 50.44           C
ATOM     75  C   GLY A   5       1.831  -5.632  -4.283  1.00 22.51           C
ATOM     76  O   GLY A   5       0.803  -6.310  -4.276  1.00 61.53           O
ATOM      0  H   GLY A   5       3.371  -3.490  -5.202  1.00 35.51           H   new
ATOM      0  HA2 GLY A   5       1.909  -5.027  -6.335  1.00 50.44           H   new
ATOM      0  HA3 GLY A   5       2.997  -6.340  -5.932  1.00 50.44           H   new
ATOM     80  N   ALA A   6       2.338  -5.076  -3.192  1.00 24.23           N
ATOM     81  CA  ALA A   6       1.674  -5.191  -1.904  1.00 64.44           C
ATOM     82  C   ALA A   6       0.690  -4.044  -1.703  1.00 33.14           C
ATOM     83  O   ALA A   6       0.913  -2.933  -2.189  1.00  4.02           O
ATOM     84  CB  ALA A   6       2.697  -5.210  -0.781  1.00 55.15           C
ATOM      0  H   ALA A   6       3.206  -4.541  -3.174  1.00 24.23           H   new
ATOM      0  HA  ALA A   6       1.119  -6.129  -1.887  1.00 64.44           H   new
ATOM      0  HB1 ALA A   6       2.184  -5.296   0.177  1.00 55.15           H   new
ATOM      0  HB2 ALA A   6       3.366  -6.060  -0.913  1.00 55.15           H   new
ATOM      0  HB3 ALA A   6       3.276  -4.287  -0.801  1.00 55.15           H   new
ATOM     90  N   THR A   7      -0.399  -4.320  -1.000  1.00 44.13           N
ATOM     91  CA  THR A   7      -1.407  -3.309  -0.719  1.00 75.35           C
ATOM     92  C   THR A   7      -1.078  -2.577   0.578  1.00 30.41           C
ATOM     93  O   THR A   7      -0.765  -3.202   1.592  1.00 21.40           O
ATOM     94  CB  THR A   7      -2.803  -3.949  -0.612  1.00 41.00           C
ATOM     95  OG1 THR A   7      -2.998  -4.858  -1.704  1.00 42.42           O
ATOM     96  CG2 THR A   7      -3.896  -2.892  -0.632  1.00 40.02           C
ATOM      0  H   THR A   7      -0.607  -5.240  -0.612  1.00 44.13           H   new
ATOM      0  HA  THR A   7      -1.409  -2.595  -1.542  1.00 75.35           H   new
ATOM      0  HB  THR A   7      -2.861  -4.485   0.336  1.00 41.00           H   new
ATOM      0  HG1 THR A   7      -3.886  -5.267  -1.635  1.00 42.42           H   new
ATOM      0 HG21 THR A   7      -4.870  -3.375  -0.555  1.00 40.02           H   new
ATOM      0 HG22 THR A   7      -3.760  -2.212   0.209  1.00 40.02           H   new
ATOM      0 HG23 THR A   7      -3.842  -2.330  -1.565  1.00 40.02           H   new
ATOM    104  N   VAL A   8      -1.147  -1.257   0.541  1.00 40.04           N
ATOM    105  CA  VAL A   8      -0.777  -0.443   1.684  1.00 32.32           C
ATOM    106  C   VAL A   8      -1.813   0.637   1.960  1.00 51.52           C
ATOM    107  O   VAL A   8      -2.481   1.123   1.045  1.00 34.42           O
ATOM    108  CB  VAL A   8       0.600   0.221   1.478  1.00 52.43           C
ATOM    109  CG1 VAL A   8       1.718  -0.810   1.575  1.00 73.13           C
ATOM    110  CG2 VAL A   8       0.648   0.946   0.138  1.00 70.02           C
ATOM      0  H   VAL A   8      -1.457  -0.725  -0.272  1.00 40.04           H   new
ATOM      0  HA  VAL A   8      -0.727  -1.114   2.541  1.00 32.32           H   new
ATOM      0  HB  VAL A   8       0.748   0.955   2.270  1.00 52.43           H   new
ATOM      0 HG11 VAL A   8       2.680  -0.319   1.426  1.00 73.13           H   new
ATOM      0 HG12 VAL A   8       1.697  -1.277   2.559  1.00 73.13           H   new
ATOM      0 HG13 VAL A   8       1.578  -1.572   0.808  1.00 73.13           H   new
ATOM      0 HG21 VAL A   8       1.627   1.409   0.009  1.00 70.02           H   new
ATOM      0 HG22 VAL A   8       0.475   0.233  -0.668  1.00 70.02           H   new
ATOM      0 HG23 VAL A   8      -0.123   1.716   0.113  1.00 70.02           H   new
ATOM    120  N   ARG A   9      -1.948   0.995   3.228  1.00  4.42           N
ATOM    121  CA  ARG A   9      -2.850   2.062   3.635  1.00 34.10           C
ATOM    122  C   ARG A   9      -2.048   3.219   4.213  1.00 14.31           C
ATOM    123  O   ARG A   9      -1.116   3.002   4.987  1.00  2.22           O
ATOM    124  CB  ARG A   9      -3.857   1.547   4.674  1.00 22.23           C
ATOM    125  CG  ARG A   9      -4.893   2.583   5.088  1.00 43.24           C
ATOM    126  CD  ARG A   9      -5.947   1.992   6.018  1.00 24.03           C
ATOM    127  NE  ARG A   9      -5.398   1.609   7.319  1.00 32.22           N
ATOM    128  CZ  ARG A   9      -6.102   1.008   8.282  1.00  1.14           C
ATOM    129  NH1 ARG A   9      -7.373   0.673   8.077  1.00  1.13           N
ATOM    130  NH2 ARG A   9      -5.522   0.726   9.440  1.00 33.20           N
ATOM      0  H   ARG A   9      -1.440   0.559   3.998  1.00  4.42           H   new
ATOM      0  HA  ARG A   9      -3.402   2.409   2.762  1.00 34.10           H   new
ATOM      0  HB2 ARG A   9      -4.370   0.675   4.269  1.00 22.23           H   new
ATOM      0  HB3 ARG A   9      -3.315   1.215   5.559  1.00 22.23           H   new
ATOM      0  HG2 ARG A   9      -4.395   3.415   5.586  1.00 43.24           H   new
ATOM      0  HG3 ARG A   9      -5.378   2.987   4.199  1.00 43.24           H   new
ATOM      0  HD2 ARG A   9      -6.746   2.719   6.165  1.00 24.03           H   new
ATOM      0  HD3 ARG A   9      -6.395   1.118   5.545  1.00 24.03           H   new
ATOM      0  HE  ARG A   9      -4.416   1.814   7.502  1.00 32.22           H   new
ATOM      0 HH11 ARG A   9      -7.815   0.875   7.180  1.00  1.13           H   new
ATOM      0 HH12 ARG A   9      -7.905   0.214   8.816  1.00  1.13           H   new
ATOM      0 HH21 ARG A   9      -4.543   0.968   9.592  1.00 33.20           H   new
ATOM      0 HH22 ARG A   9      -6.055   0.267  10.179  1.00 33.20           H   new
ATOM    144  N   VAL A  10      -2.395   4.440   3.825  1.00 13.24           N
ATOM    145  CA  VAL A  10      -1.711   5.622   4.337  1.00 64.14           C
ATOM    146  C   VAL A  10      -2.159   5.903   5.767  1.00 21.31           C
ATOM    147  O   VAL A  10      -3.279   6.363   5.998  1.00 31.21           O
ATOM    148  CB  VAL A  10      -1.981   6.863   3.459  1.00 21.24           C
ATOM    149  CG1 VAL A  10      -1.190   8.064   3.963  1.00 14.33           C
ATOM    150  CG2 VAL A  10      -1.644   6.572   2.004  1.00 62.40           C
ATOM      0  H   VAL A  10      -3.143   4.638   3.160  1.00 13.24           H   new
ATOM      0  HA  VAL A  10      -0.640   5.419   4.316  1.00 64.14           H   new
ATOM      0  HB  VAL A  10      -3.042   7.103   3.525  1.00 21.24           H   new
ATOM      0 HG11 VAL A  10      -1.396   8.927   3.330  1.00 14.33           H   new
ATOM      0 HG12 VAL A  10      -1.483   8.289   4.988  1.00 14.33           H   new
ATOM      0 HG13 VAL A  10      -0.124   7.837   3.932  1.00 14.33           H   new
ATOM      0 HG21 VAL A  10      -1.841   7.458   1.401  1.00 62.40           H   new
ATOM      0 HG22 VAL A  10      -0.591   6.303   1.921  1.00 62.40           H   new
ATOM      0 HG23 VAL A  10      -2.259   5.746   1.646  1.00 62.40           H   new
ATOM    160  N   THR A  11      -1.292   5.617   6.725  1.00 30.13           N
ATOM    161  CA  THR A  11      -1.648   5.740   8.131  1.00 63.03           C
ATOM    162  C   THR A  11      -1.313   7.130   8.674  1.00 53.50           C
ATOM    163  O   THR A  11      -1.643   7.457   9.815  1.00 50.54           O
ATOM    164  CB  THR A  11      -0.930   4.666   8.966  1.00 13.31           C
ATOM    165  OG1 THR A  11      -0.917   3.431   8.242  1.00 25.04           O
ATOM    166  CG2 THR A  11      -1.626   4.452  10.301  1.00  4.31           C
ATOM      0  H   THR A  11      -0.338   5.298   6.556  1.00 30.13           H   new
ATOM      0  HA  THR A  11      -2.725   5.594   8.210  1.00 63.03           H   new
ATOM      0  HB  THR A  11       0.088   5.005   9.156  1.00 13.31           H   new
ATOM      0  HG1 THR A  11      -1.637   2.853   8.569  1.00 25.04           H   new
ATOM      0 HG21 THR A  11      -1.096   3.687  10.869  1.00  4.31           H   new
ATOM      0 HG22 THR A  11      -1.629   5.386  10.864  1.00  4.31           H   new
ATOM      0 HG23 THR A  11      -2.653   4.129  10.128  1.00  4.31           H   new
ATOM    174  N   ASN A  12      -0.658   7.948   7.858  1.00 73.21           N
ATOM    175  CA  ASN A  12      -0.355   9.323   8.249  1.00 10.35           C
ATOM    176  C   ASN A  12      -1.657  10.106   8.390  1.00  2.43           C
ATOM    177  O   ASN A  12      -2.329  10.385   7.400  1.00 72.13           O
ATOM    178  CB  ASN A  12       0.559  10.004   7.220  1.00 32.14           C
ATOM    179  CG  ASN A  12       1.048  11.375   7.681  1.00 73.34           C
ATOM    180  OD1 ASN A  12       0.410  12.038   8.498  1.00  3.32           O
ATOM    181  ND2 ASN A  12       2.176  11.817   7.152  1.00 14.42           N
ATOM      0  H   ASN A  12      -0.328   7.688   6.929  1.00 73.21           H   new
ATOM      0  HA  ASN A  12       0.171   9.305   9.204  1.00 10.35           H   new
ATOM      0  HB2 ASN A  12       1.419   9.363   7.024  1.00 32.14           H   new
ATOM      0  HB3 ASN A  12       0.021  10.113   6.278  1.00 32.14           H   new
ATOM      0 HD21 ASN A  12       2.540  12.732   7.419  1.00 14.42           H   new
ATOM      0 HD22 ASN A  12       2.682  11.243   6.477  1.00 14.42           H   new
ATOM    188  N   VAL A  13      -1.997  10.474   9.622  1.00 54.32           N
ATOM    189  CA  VAL A  13      -3.284  11.104   9.915  1.00 11.12           C
ATOM    190  C   VAL A  13      -3.253  12.597   9.582  1.00 44.44           C
ATOM    191  O   VAL A  13      -4.244  13.310   9.740  1.00  5.33           O
ATOM    192  CB  VAL A  13      -3.668  10.916  11.401  1.00 22.41           C
ATOM    193  CG1 VAL A  13      -5.155  11.157  11.619  1.00 31.33           C
ATOM    194  CG2 VAL A  13      -3.270   9.530  11.896  1.00 44.43           C
ATOM      0  H   VAL A  13      -1.398  10.347  10.437  1.00 54.32           H   new
ATOM      0  HA  VAL A  13      -4.033  10.617   9.291  1.00 11.12           H   new
ATOM      0  HB  VAL A  13      -3.118  11.657  11.981  1.00 22.41           H   new
ATOM      0 HG11 VAL A  13      -5.396  11.018  12.673  1.00 31.33           H   new
ATOM      0 HG12 VAL A  13      -5.406  12.175  11.321  1.00 31.33           H   new
ATOM      0 HG13 VAL A  13      -5.730  10.451  11.019  1.00 31.33           H   new
ATOM      0 HG21 VAL A  13      -3.551   9.423  12.944  1.00 44.43           H   new
ATOM      0 HG22 VAL A  13      -3.782   8.771  11.304  1.00 44.43           H   new
ATOM      0 HG23 VAL A  13      -2.192   9.403  11.795  1.00 44.43           H   new
ATOM    204  N   ASP A  14      -2.106  13.064   9.124  1.00 73.21           N
ATOM    205  CA  ASP A  14      -1.934  14.462   8.757  1.00 61.14           C
ATOM    206  C   ASP A  14      -2.006  14.634   7.244  1.00 31.42           C
ATOM    207  O   ASP A  14      -2.340  15.711   6.745  1.00 52.34           O
ATOM    208  CB  ASP A  14      -0.583  14.968   9.274  1.00  3.44           C
ATOM    209  CG  ASP A  14      -0.267  16.379   8.822  1.00 31.44           C
ATOM    210  OD1 ASP A  14      -0.742  17.335   9.471  1.00  1.12           O
ATOM    211  OD2 ASP A  14       0.473  16.539   7.826  1.00 20.01           O
ATOM      0  H   ASP A  14      -1.272  12.492   8.996  1.00 73.21           H   new
ATOM      0  HA  ASP A  14      -2.738  15.043   9.209  1.00 61.14           H   new
ATOM      0  HB2 ASP A  14      -0.581  14.932  10.363  1.00  3.44           H   new
ATOM      0  HB3 ASP A  14       0.205  14.298   8.931  1.00  3.44           H   new
ATOM    216  N   ASP A  15      -1.731  13.554   6.525  1.00 14.43           N
ATOM    217  CA  ASP A  15      -1.562  13.618   5.078  1.00 33.14           C
ATOM    218  C   ASP A  15      -2.896  13.781   4.354  1.00 45.12           C
ATOM    219  O   ASP A  15      -3.961  13.457   4.884  1.00 34.50           O
ATOM    220  CB  ASP A  15      -0.836  12.370   4.564  1.00 41.53           C
ATOM    221  CG  ASP A  15      -0.411  12.508   3.113  1.00  2.00           C
ATOM    222  OD1 ASP A  15       0.696  13.033   2.860  1.00 72.43           O
ATOM    223  OD2 ASP A  15      -1.188  12.117   2.221  1.00 22.31           O
ATOM      0  H   ASP A  15      -1.620  12.620   6.921  1.00 14.43           H   new
ATOM      0  HA  ASP A  15      -0.957  14.499   4.864  1.00 33.14           H   new
ATOM      0  HB2 ASP A  15       0.043  12.183   5.182  1.00 41.53           H   new
ATOM      0  HB3 ASP A  15      -1.489  11.504   4.668  1.00 41.53           H   new
ATOM    228  N   THR A  16      -2.812  14.292   3.135  1.00 41.45           N
ATOM    229  CA  THR A  16      -3.964  14.519   2.283  1.00 31.53           C
ATOM    230  C   THR A  16      -4.641  13.200   1.887  1.00  4.04           C
ATOM    231  O   THR A  16      -5.864  13.137   1.726  1.00 72.12           O
ATOM    232  CB  THR A  16      -3.517  15.280   1.016  1.00 40.14           C
ATOM    233  OG1 THR A  16      -2.795  16.461   1.400  1.00 44.54           O
ATOM    234  CG2 THR A  16      -4.701  15.671   0.147  1.00 72.12           C
ATOM      0  H   THR A  16      -1.928  14.564   2.706  1.00 41.45           H   new
ATOM      0  HA  THR A  16      -4.691  15.111   2.839  1.00 31.53           H   new
ATOM      0  HB  THR A  16      -2.878  14.617   0.433  1.00 40.14           H   new
ATOM      0  HG1 THR A  16      -2.509  16.945   0.597  1.00 44.54           H   new
ATOM      0 HG21 THR A  16      -4.345  16.204  -0.734  1.00 72.12           H   new
ATOM      0 HG22 THR A  16      -5.236  14.774  -0.163  1.00 72.12           H   new
ATOM      0 HG23 THR A  16      -5.372  16.316   0.715  1.00 72.12           H   new
ATOM    242  N   TYR A  17      -3.843  12.148   1.748  1.00 14.14           N
ATOM    243  CA  TYR A  17      -4.349  10.846   1.332  1.00 63.33           C
ATOM    244  C   TYR A  17      -4.499   9.903   2.526  1.00 64.02           C
ATOM    245  O   TYR A  17      -4.384   8.686   2.379  1.00 44.00           O
ATOM    246  CB  TYR A  17      -3.421  10.222   0.283  1.00 13.05           C
ATOM    247  CG  TYR A  17      -3.412  10.943  -1.050  1.00 52.21           C
ATOM    248  CD1 TYR A  17      -4.417  10.725  -1.987  1.00  3.21           C
ATOM    249  CD2 TYR A  17      -2.393  11.829  -1.378  1.00  1.12           C
ATOM    250  CE1 TYR A  17      -4.406  11.369  -3.210  1.00 64.21           C
ATOM    251  CE2 TYR A  17      -2.378  12.480  -2.598  1.00 63.03           C
ATOM    252  CZ  TYR A  17      -3.386  12.246  -3.512  1.00  2.23           C
ATOM    253  OH  TYR A  17      -3.371  12.887  -4.733  1.00  4.42           O
ATOM      0  H   TYR A  17      -2.838  12.172   1.918  1.00 14.14           H   new
ATOM      0  HA  TYR A  17      -5.334  10.996   0.891  1.00 63.33           H   new
ATOM      0  HB2 TYR A  17      -2.406  10.202   0.679  1.00 13.05           H   new
ATOM      0  HB3 TYR A  17      -3.720   9.186   0.121  1.00 13.05           H   new
ATOM      0  HD1 TYR A  17      -5.220  10.041  -1.755  1.00  3.21           H   new
ATOM      0  HD2 TYR A  17      -1.600  12.012  -0.668  1.00  1.12           H   new
ATOM      0  HE1 TYR A  17      -5.193  11.186  -3.926  1.00 64.21           H   new
ATOM      0  HE2 TYR A  17      -1.581  13.169  -2.835  1.00 63.03           H   new
ATOM      0  HH  TYR A  17      -2.737  13.634  -4.703  1.00  4.42           H   new
ATOM    263  N   TYR A  18      -4.783  10.466   3.697  1.00 61.22           N
ATOM    264  CA  TYR A  18      -4.960   9.673   4.912  1.00 65.21           C
ATOM    265  C   TYR A  18      -6.029   8.593   4.732  1.00 33.12           C
ATOM    266  O   TYR A  18      -7.071   8.830   4.119  1.00 62.13           O
ATOM    267  CB  TYR A  18      -5.325  10.572   6.103  1.00  1.31           C
ATOM    268  CG  TYR A  18      -5.761   9.798   7.334  1.00 64.41           C
ATOM    269  CD1 TYR A  18      -4.934   8.836   7.906  1.00 45.13           C
ATOM    270  CD2 TYR A  18      -7.011  10.009   7.907  1.00 14.32           C
ATOM    271  CE1 TYR A  18      -5.337   8.111   9.009  1.00 61.32           C
ATOM    272  CE2 TYR A  18      -7.421   9.284   9.008  1.00 32.23           C
ATOM    273  CZ  TYR A  18      -6.580   8.338   9.556  1.00 75.54           C
ATOM    274  OH  TYR A  18      -6.990   7.604  10.646  1.00 24.24           O
ATOM      0  H   TYR A  18      -4.896  11.471   3.831  1.00 61.22           H   new
ATOM      0  HA  TYR A  18      -4.009   9.181   5.115  1.00 65.21           H   new
ATOM      0  HB2 TYR A  18      -4.465  11.191   6.358  1.00  1.31           H   new
ATOM      0  HB3 TYR A  18      -6.127  11.248   5.806  1.00  1.31           H   new
ATOM      0  HD1 TYR A  18      -3.959   8.653   7.479  1.00 45.13           H   new
ATOM      0  HD2 TYR A  18      -7.671  10.752   7.484  1.00 14.32           H   new
ATOM      0  HE1 TYR A  18      -4.681   7.370   9.441  1.00 61.32           H   new
ATOM      0  HE2 TYR A  18      -8.396   9.457   9.438  1.00 32.23           H   new
ATOM      0  HH  TYR A  18      -7.890   7.887  10.911  1.00 24.24           H   new
ATOM    284  N   ARG A  19      -5.718   7.407   5.262  1.00  4.22           N
ATOM    285  CA  ARG A  19      -6.604   6.232   5.293  1.00 51.14           C
ATOM    286  C   ARG A  19      -7.099   5.812   3.909  1.00 62.10           C
ATOM    287  O   ARG A  19      -8.069   5.059   3.791  1.00 11.11           O
ATOM    288  CB  ARG A  19      -7.778   6.400   6.282  1.00  2.41           C
ATOM    289  CG  ARG A  19      -8.836   7.423   5.898  1.00 43.12           C
ATOM    290  CD  ARG A  19      -9.944   7.469   6.933  1.00 64.02           C
ATOM    291  NE  ARG A  19     -10.851   8.594   6.720  1.00 70.21           N
ATOM    292  CZ  ARG A  19     -11.497   9.221   7.701  1.00 65.44           C
ATOM    293  NH1 ARG A  19     -11.358   8.820   8.959  1.00 53.43           N
ATOM    294  NH2 ARG A  19     -12.294  10.245   7.426  1.00 50.43           N
ATOM      0  H   ARG A  19      -4.813   7.229   5.697  1.00  4.22           H   new
ATOM      0  HA  ARG A  19      -5.982   5.416   5.662  1.00 51.14           H   new
ATOM      0  HB2 ARG A  19      -8.265   5.432   6.404  1.00  2.41           H   new
ATOM      0  HB3 ARG A  19      -7.370   6.677   7.254  1.00  2.41           H   new
ATOM      0  HG2 ARG A  19      -8.379   8.408   5.805  1.00 43.12           H   new
ATOM      0  HG3 ARG A  19      -9.254   7.172   4.923  1.00 43.12           H   new
ATOM      0  HD2 ARG A  19     -10.509   6.537   6.900  1.00 64.02           H   new
ATOM      0  HD3 ARG A  19      -9.506   7.541   7.929  1.00 64.02           H   new
ATOM      0  HE  ARG A  19     -10.998   8.918   5.764  1.00 70.21           H   new
ATOM      0 HH11 ARG A  19     -10.754   8.028   9.178  1.00 53.43           H   new
ATOM      0 HH12 ARG A  19     -11.855   9.304   9.706  1.00 53.43           H   new
ATOM      0 HH21 ARG A  19     -12.413  10.554   6.461  1.00 50.43           H   new
ATOM      0 HH22 ARG A  19     -12.788  10.724   8.179  1.00 50.43           H   new
ATOM    308  N   PHE A  20      -6.417   6.269   2.867  1.00 55.12           N
ATOM    309  CA  PHE A  20      -6.627   5.725   1.541  1.00 72.12           C
ATOM    310  C   PHE A  20      -5.759   4.490   1.376  1.00 63.45           C
ATOM    311  O   PHE A  20      -4.699   4.375   2.000  1.00  4.51           O
ATOM    312  CB  PHE A  20      -6.301   6.748   0.452  1.00 73.30           C
ATOM    313  CG  PHE A  20      -7.373   7.779   0.240  1.00  3.43           C
ATOM    314  CD1 PHE A  20      -8.427   7.527  -0.625  1.00 41.11           C
ATOM    315  CD2 PHE A  20      -7.327   8.997   0.894  1.00 74.42           C
ATOM    316  CE1 PHE A  20      -9.415   8.472  -0.830  1.00  3.22           C
ATOM    317  CE2 PHE A  20      -8.310   9.947   0.692  1.00 61.30           C
ATOM    318  CZ  PHE A  20      -9.356   9.684  -0.171  1.00 31.44           C
ATOM      0  H   PHE A  20      -5.719   7.011   2.918  1.00 55.12           H   new
ATOM      0  HA  PHE A  20      -7.680   5.463   1.434  1.00 72.12           H   new
ATOM      0  HB2 PHE A  20      -5.371   7.254   0.710  1.00 73.30           H   new
ATOM      0  HB3 PHE A  20      -6.127   6.221  -0.486  1.00 73.30           H   new
ATOM      0  HD1 PHE A  20      -8.477   6.582  -1.145  1.00 41.11           H   new
ATOM      0  HD2 PHE A  20      -6.513   9.208   1.571  1.00 74.42           H   new
ATOM      0  HE1 PHE A  20     -10.232   8.263  -1.505  1.00  3.22           H   new
ATOM      0  HE2 PHE A  20      -8.260  10.894   1.208  1.00 61.30           H   new
ATOM      0  HZ  PHE A  20     -10.126  10.425  -0.330  1.00 31.44           H   new
ATOM    328  N   GLU A  21      -6.212   3.573   0.549  1.00 31.41           N
ATOM    329  CA  GLU A  21      -5.524   2.311   0.355  1.00 35.03           C
ATOM    330  C   GLU A  21      -5.142   2.145  -1.105  1.00 72.44           C
ATOM    331  O   GLU A  21      -5.967   2.340  -1.998  1.00 34.32           O
ATOM    332  CB  GLU A  21      -6.407   1.152   0.830  1.00 32.21           C
ATOM    333  CG  GLU A  21      -6.615   1.150   2.338  1.00 63.03           C
ATOM    334  CD  GLU A  21      -7.686   0.186   2.802  1.00 32.51           C
ATOM    335  OE1 GLU A  21      -7.446  -1.039   2.789  1.00 55.44           O
ATOM    336  OE2 GLU A  21      -8.768   0.656   3.218  1.00 63.15           O
ATOM      0  H   GLU A  21      -7.062   3.678  -0.005  1.00 31.41           H   new
ATOM      0  HA  GLU A  21      -4.609   2.306   0.948  1.00 35.03           H   new
ATOM      0  HB2 GLU A  21      -7.376   1.212   0.334  1.00 32.21           H   new
ATOM      0  HB3 GLU A  21      -5.953   0.208   0.529  1.00 32.21           H   new
ATOM      0  HG2 GLU A  21      -5.674   0.896   2.826  1.00 63.03           H   new
ATOM      0  HG3 GLU A  21      -6.880   2.157   2.661  1.00 63.03           H   new
ATOM    343  N   GLY A  22      -3.886   1.811  -1.346  1.00 31.11           N
ATOM    344  CA  GLY A  22      -3.405   1.696  -2.703  1.00  2.41           C
ATOM    345  C   GLY A  22      -2.398   0.581  -2.864  1.00  1.23           C
ATOM    346  O   GLY A  22      -2.138  -0.172  -1.924  1.00 32.44           O
ATOM      0  H   GLY A  22      -3.191   1.617  -0.625  1.00 31.11           H   new
ATOM      0  HA2 GLY A  22      -4.248   1.520  -3.371  1.00  2.41           H   new
ATOM      0  HA3 GLY A  22      -2.950   2.639  -3.006  1.00  2.41           H   new
ATOM    350  N   LEU A  23      -1.826   0.477  -4.050  1.00 52.43           N
ATOM    351  CA  LEU A  23      -0.882  -0.586  -4.348  1.00 74.53           C
ATOM    352  C   LEU A  23       0.513  -0.010  -4.567  1.00 22.02           C
ATOM    353  O   LEU A  23       0.677   0.974  -5.288  1.00 53.03           O
ATOM    354  CB  LEU A  23      -1.332  -1.343  -5.601  1.00  2.14           C
ATOM    355  CG  LEU A  23      -0.644  -2.687  -5.832  1.00  1.24           C
ATOM    356  CD1 LEU A  23      -1.108  -3.702  -4.798  1.00 35.41           C
ATOM    357  CD2 LEU A  23      -0.917  -3.192  -7.242  1.00 35.11           C
ATOM      0  H   LEU A  23      -1.999   1.117  -4.825  1.00 52.43           H   new
ATOM      0  HA  LEU A  23      -0.850  -1.273  -3.503  1.00 74.53           H   new
ATOM      0  HB2 LEU A  23      -2.407  -1.510  -5.539  1.00  2.14           H   new
ATOM      0  HB3 LEU A  23      -1.158  -0.710  -6.471  1.00  2.14           H   new
ATOM      0  HG  LEU A  23       0.432  -2.550  -5.722  1.00  1.24           H   new
ATOM      0 HD11 LEU A  23      -0.610  -4.655  -4.975  1.00 35.41           H   new
ATOM      0 HD12 LEU A  23      -0.861  -3.343  -3.799  1.00 35.41           H   new
ATOM      0 HD13 LEU A  23      -2.187  -3.836  -4.878  1.00 35.41           H   new
ATOM      0 HD21 LEU A  23      -0.419  -4.150  -7.388  1.00 35.11           H   new
ATOM      0 HD22 LEU A  23      -1.991  -3.316  -7.383  1.00 35.11           H   new
ATOM      0 HD23 LEU A  23      -0.537  -2.472  -7.966  1.00 35.11           H   new
ATOM    369  N   VAL A  24       1.511  -0.615  -3.937  1.00 74.35           N
ATOM    370  CA  VAL A  24       2.894  -0.199  -4.127  1.00 70.24           C
ATOM    371  C   VAL A  24       3.358  -0.557  -5.531  1.00 12.12           C
ATOM    372  O   VAL A  24       3.451  -1.732  -5.884  1.00 53.13           O
ATOM    373  CB  VAL A  24       3.837  -0.857  -3.100  1.00 63.41           C
ATOM    374  CG1 VAL A  24       5.272  -0.402  -3.320  1.00 51.22           C
ATOM    375  CG2 VAL A  24       3.390  -0.543  -1.682  1.00 22.43           C
ATOM      0  H   VAL A  24       1.389  -1.395  -3.291  1.00 74.35           H   new
ATOM      0  HA  VAL A  24       2.931   0.881  -3.983  1.00 70.24           H   new
ATOM      0  HB  VAL A  24       3.794  -1.937  -3.242  1.00 63.41           H   new
ATOM      0 HG11 VAL A  24       5.921  -0.878  -2.585  1.00 51.22           H   new
ATOM      0 HG12 VAL A  24       5.593  -0.682  -4.323  1.00 51.22           H   new
ATOM      0 HG13 VAL A  24       5.331   0.681  -3.210  1.00 51.22           H   new
ATOM      0 HG21 VAL A  24       4.069  -1.017  -0.973  1.00 22.43           H   new
ATOM      0 HG22 VAL A  24       3.400   0.536  -1.528  1.00 22.43           H   new
ATOM      0 HG23 VAL A  24       2.380  -0.923  -1.526  1.00 22.43           H   new
ATOM    385  N   GLN A  25       3.641   0.460  -6.332  1.00 64.21           N
ATOM    386  CA  GLN A  25       4.085   0.248  -7.702  1.00 23.25           C
ATOM    387  C   GLN A  25       5.556  -0.122  -7.729  1.00 45.03           C
ATOM    388  O   GLN A  25       5.993  -0.935  -8.543  1.00 73.43           O
ATOM    389  CB  GLN A  25       3.858   1.505  -8.544  1.00 73.51           C
ATOM    390  CG  GLN A  25       2.405   1.758  -8.901  1.00  3.13           C
ATOM    391  CD  GLN A  25       1.831   0.695  -9.822  1.00 53.11           C
ATOM    392  OE1 GLN A  25       1.931   0.797 -11.046  1.00 33.11           O
ATOM    393  NE2 GLN A  25       1.216  -0.323  -9.243  1.00 33.42           N
ATOM      0  H   GLN A  25       3.571   1.440  -6.057  1.00 64.21           H   new
ATOM      0  HA  GLN A  25       3.501  -0.570  -8.124  1.00 23.25           H   new
ATOM      0  HB2 GLN A  25       4.243   2.368  -8.000  1.00 73.51           H   new
ATOM      0  HB3 GLN A  25       4.438   1.423  -9.463  1.00 73.51           H   new
ATOM      0  HG2 GLN A  25       1.813   1.798  -7.987  1.00  3.13           H   new
ATOM      0  HG3 GLN A  25       2.318   2.733  -9.380  1.00  3.13           H   new
ATOM      0 HE21 GLN A  25       1.155  -0.370  -8.226  1.00 33.42           H   new
ATOM      0 HE22 GLN A  25       0.803  -1.061  -9.814  1.00 33.42           H   new
ATOM    402  N   ARG A  26       6.306   0.471  -6.816  1.00 34.13           N
ATOM    403  CA  ARG A  26       7.741   0.312  -6.768  1.00 53.13           C
ATOM    404  C   ARG A  26       8.274   0.958  -5.503  1.00 34.54           C
ATOM    405  O   ARG A  26       7.716   1.938  -5.008  1.00 74.23           O
ATOM    406  CB  ARG A  26       8.399   0.925  -8.011  1.00 41.11           C
ATOM    407  CG  ARG A  26       8.061   2.390  -8.227  1.00  1.45           C
ATOM    408  CD  ARG A  26       8.604   2.900  -9.551  1.00 72.30           C
ATOM    409  NE  ARG A  26       8.256   4.302  -9.767  1.00 14.04           N
ATOM    410  CZ  ARG A  26       7.919   4.814 -10.950  1.00 50.43           C
ATOM    411  NH1 ARG A  26       7.925   4.049 -12.035  1.00 25.12           N
ATOM    412  NH2 ARG A  26       7.574   6.095 -11.046  1.00 51.41           N
ATOM      0  H   ARG A  26       5.931   1.077  -6.087  1.00 34.13           H   new
ATOM      0  HA  ARG A  26       7.983  -0.751  -6.757  1.00 53.13           H   new
ATOM      0  HB2 ARG A  26       9.481   0.820  -7.926  1.00 41.11           H   new
ATOM      0  HB3 ARG A  26       8.092   0.358  -8.890  1.00 41.11           H   new
ATOM      0  HG2 ARG A  26       6.979   2.522  -8.202  1.00  1.45           H   new
ATOM      0  HG3 ARG A  26       8.474   2.983  -7.411  1.00  1.45           H   new
ATOM      0  HD2 ARG A  26       9.688   2.786  -9.569  1.00 72.30           H   new
ATOM      0  HD3 ARG A  26       8.206   2.295 -10.366  1.00 72.30           H   new
ATOM      0  HE  ARG A  26       8.272   4.928  -8.962  1.00 14.04           H   new
ATOM      0 HH11 ARG A  26       8.188   3.066 -11.965  1.00 25.12           H   new
ATOM      0 HH12 ARG A  26       7.666   4.444 -12.939  1.00 25.12           H   new
ATOM      0 HH21 ARG A  26       7.567   6.685 -10.214  1.00 51.41           H   new
ATOM      0 HH22 ARG A  26       7.316   6.487 -11.952  1.00 51.41           H   new
ATOM    426  N   VAL A  27       9.314   0.365  -4.965  1.00 54.33           N
ATOM    427  CA  VAL A  27       9.963   0.866  -3.764  1.00 65.44           C
ATOM    428  C   VAL A  27      11.334   1.434  -4.106  1.00 63.11           C
ATOM    429  O   VAL A  27      12.137   0.773  -4.762  1.00 42.54           O
ATOM    430  CB  VAL A  27      10.124  -0.250  -2.704  1.00 73.22           C
ATOM    431  CG1 VAL A  27      10.781   0.290  -1.443  1.00 64.42           C
ATOM    432  CG2 VAL A  27       8.779  -0.878  -2.373  1.00  0.12           C
ATOM      0  H   VAL A  27       9.739  -0.481  -5.345  1.00 54.33           H   new
ATOM      0  HA  VAL A  27       9.331   1.651  -3.350  1.00 65.44           H   new
ATOM      0  HB  VAL A  27      10.770  -1.020  -3.124  1.00 73.22           H   new
ATOM      0 HG11 VAL A  27      10.883  -0.513  -0.713  1.00 64.42           H   new
ATOM      0 HG12 VAL A  27      11.767   0.686  -1.687  1.00 64.42           H   new
ATOM      0 HG13 VAL A  27      10.165   1.085  -1.023  1.00 64.42           H   new
ATOM      0 HG21 VAL A  27       8.916  -1.660  -1.626  1.00  0.12           H   new
ATOM      0 HG22 VAL A  27       8.108  -0.114  -1.980  1.00  0.12           H   new
ATOM      0 HG23 VAL A  27       8.347  -1.311  -3.276  1.00  0.12           H   new
ATOM    442  N   SER A  28      11.593   2.657  -3.673  1.00 50.12           N
ATOM    443  CA  SER A  28      12.891   3.272  -3.863  1.00 22.15           C
ATOM    444  C   SER A  28      13.635   3.311  -2.533  1.00 21.11           C
ATOM    445  O   SER A  28      13.815   4.375  -1.935  1.00  4.03           O
ATOM    446  CB  SER A  28      12.749   4.679  -4.451  1.00 34.05           C
ATOM    447  OG  SER A  28      13.997   5.187  -4.896  1.00 40.35           O
ATOM      0  H   SER A  28      10.916   3.244  -3.185  1.00 50.12           H   new
ATOM      0  HA  SER A  28      13.465   2.676  -4.573  1.00 22.15           H   new
ATOM      0  HB2 SER A  28      12.047   4.657  -5.284  1.00 34.05           H   new
ATOM      0  HB3 SER A  28      12.330   5.348  -3.699  1.00 34.05           H   new
ATOM      0  HG  SER A  28      13.871   6.085  -5.267  1.00 40.35           H   new
ATOM    453  N   ASP A  29      13.999   2.119  -2.058  1.00 43.51           N
ATOM    454  CA  ASP A  29      14.792   1.934  -0.840  1.00 32.35           C
ATOM    455  C   ASP A  29      14.024   2.309   0.418  1.00  3.33           C
ATOM    456  O   ASP A  29      13.618   1.450   1.200  1.00 34.45           O
ATOM    457  CB  ASP A  29      16.105   2.718  -0.921  1.00 54.12           C
ATOM    458  CG  ASP A  29      17.013   2.444   0.258  1.00 24.12           C
ATOM    459  OD1 ASP A  29      17.497   1.297   0.387  1.00 52.03           O
ATOM    460  OD2 ASP A  29      17.259   3.379   1.047  1.00 40.52           O
ATOM      0  H   ASP A  29      13.748   1.242  -2.514  1.00 43.51           H   new
ATOM      0  HA  ASP A  29      15.019   0.870  -0.771  1.00 32.35           H   new
ATOM      0  HB2 ASP A  29      16.624   2.459  -1.844  1.00 54.12           H   new
ATOM      0  HB3 ASP A  29      15.886   3.785  -0.967  1.00 54.12           H   new
ATOM    465  N   GLY A  30      13.835   3.586   0.594  1.00 14.22           N
ATOM    466  CA  GLY A  30      13.182   4.097   1.782  1.00 21.32           C
ATOM    467  C   GLY A  30      11.819   4.696   1.498  1.00 13.40           C
ATOM    468  O   GLY A  30      11.069   5.021   2.420  1.00 35.41           O
ATOM      0  H   GLY A  30      14.124   4.303  -0.071  1.00 14.22           H   new
ATOM      0  HA2 GLY A  30      13.074   3.290   2.506  1.00 21.32           H   new
ATOM      0  HA3 GLY A  30      13.817   4.854   2.241  1.00 21.32           H   new
ATOM    472  N   LYS A  31      11.504   4.855   0.223  1.00 42.15           N
ATOM    473  CA  LYS A  31      10.239   5.413  -0.192  1.00  4.21           C
ATOM    474  C   LYS A  31       9.525   4.454  -1.131  1.00 53.12           C
ATOM    475  O   LYS A  31      10.113   3.472  -1.577  1.00 31.14           O
ATOM    476  CB  LYS A  31      10.490   6.740  -0.888  1.00 41.34           C
ATOM    477  CG  LYS A  31      10.805   7.883   0.061  1.00 43.21           C
ATOM    478  CD  LYS A  31      11.274   9.112  -0.696  1.00 30.21           C
ATOM    479  CE  LYS A  31      12.634   8.877  -1.327  1.00 15.10           C
ATOM    480  NZ  LYS A  31      13.001   9.954  -2.278  1.00 33.34           N
ATOM      0  H   LYS A  31      12.121   4.600  -0.548  1.00 42.15           H   new
ATOM      0  HA  LYS A  31       9.606   5.572   0.681  1.00  4.21           H   new
ATOM      0  HB2 LYS A  31      11.319   6.622  -1.586  1.00 41.34           H   new
ATOM      0  HB3 LYS A  31       9.611   7.002  -1.477  1.00 41.34           H   new
ATOM      0  HG2 LYS A  31       9.918   8.129   0.645  1.00 43.21           H   new
ATOM      0  HG3 LYS A  31      11.575   7.571   0.767  1.00 43.21           H   new
ATOM      0  HD2 LYS A  31      10.549   9.365  -1.470  1.00 30.21           H   new
ATOM      0  HD3 LYS A  31      11.326   9.963  -0.017  1.00 30.21           H   new
ATOM      0  HE2 LYS A  31      13.390   8.812  -0.544  1.00 15.10           H   new
ATOM      0  HE3 LYS A  31      12.631   7.919  -1.848  1.00 15.10           H   new
ATOM      0  HZ1 LYS A  31      13.937   9.753  -2.685  1.00 33.34           H   new
ATOM      0  HZ2 LYS A  31      12.294  10.000  -3.040  1.00 33.34           H   new
ATOM      0  HZ3 LYS A  31      13.030  10.865  -1.777  1.00 33.34           H   new
ATOM    494  N   ALA A  32       8.270   4.740  -1.438  1.00 11.13           N
ATOM    495  CA  ALA A  32       7.489   3.884  -2.320  1.00 32.52           C
ATOM    496  C   ALA A  32       6.459   4.695  -3.095  1.00 62.10           C
ATOM    497  O   ALA A  32       5.965   5.709  -2.605  1.00 65.10           O
ATOM    498  CB  ALA A  32       6.798   2.789  -1.520  1.00  2.04           C
ATOM      0  H   ALA A  32       7.769   5.558  -1.090  1.00 11.13           H   new
ATOM      0  HA  ALA A  32       8.171   3.424  -3.035  1.00 32.52           H   new
ATOM      0  HB1 ALA A  32       6.218   2.157  -2.193  1.00  2.04           H   new
ATOM      0  HB2 ALA A  32       7.547   2.184  -1.009  1.00  2.04           H   new
ATOM      0  HB3 ALA A  32       6.133   3.241  -0.784  1.00  2.04           H   new
ATOM    504  N   ALA A  33       6.145   4.250  -4.302  1.00 53.42           N
ATOM    505  CA  ALA A  33       5.129   4.899  -5.116  1.00  1.12           C
ATOM    506  C   ALA A  33       3.799   4.182  -4.945  1.00  2.42           C
ATOM    507  O   ALA A  33       3.671   3.003  -5.277  1.00 44.31           O
ATOM    508  CB  ALA A  33       5.547   4.908  -6.579  1.00 44.40           C
ATOM      0  H   ALA A  33       6.581   3.439  -4.741  1.00 53.42           H   new
ATOM      0  HA  ALA A  33       5.017   5.932  -4.788  1.00  1.12           H   new
ATOM      0  HB1 ALA A  33       4.776   5.397  -7.175  1.00 44.40           H   new
ATOM      0  HB2 ALA A  33       6.487   5.450  -6.686  1.00 44.40           H   new
ATOM      0  HB3 ALA A  33       5.678   3.883  -6.926  1.00 44.40           H   new
ATOM    514  N   VAL A  34       2.816   4.889  -4.415  1.00 12.23           N
ATOM    515  CA  VAL A  34       1.523   4.294  -4.124  1.00 42.13           C
ATOM    516  C   VAL A  34       0.513   4.638  -5.207  1.00 22.51           C
ATOM    517  O   VAL A  34       0.246   5.811  -5.476  1.00 43.13           O
ATOM    518  CB  VAL A  34       0.982   4.771  -2.760  1.00  4.44           C
ATOM    519  CG1 VAL A  34      -0.304   4.042  -2.398  1.00 51.31           C
ATOM    520  CG2 VAL A  34       2.030   4.579  -1.678  1.00 65.44           C
ATOM      0  H   VAL A  34       2.889   5.878  -4.177  1.00 12.23           H   new
ATOM      0  HA  VAL A  34       1.666   3.214  -4.091  1.00 42.13           H   new
ATOM      0  HB  VAL A  34       0.754   5.834  -2.837  1.00  4.44           H   new
ATOM      0 HG11 VAL A  34      -0.664   4.397  -1.432  1.00 51.31           H   new
ATOM      0 HG12 VAL A  34      -1.059   4.236  -3.160  1.00 51.31           H   new
ATOM      0 HG13 VAL A  34      -0.111   2.971  -2.342  1.00 51.31           H   new
ATOM      0 HG21 VAL A  34       1.633   4.920  -0.722  1.00 65.44           H   new
ATOM      0 HG22 VAL A  34       2.290   3.523  -1.607  1.00 65.44           H   new
ATOM      0 HG23 VAL A  34       2.921   5.156  -1.928  1.00 65.44           H   new
ATOM    530  N   LEU A  35      -0.031   3.612  -5.840  1.00 41.31           N
ATOM    531  CA  LEU A  35      -1.061   3.805  -6.844  1.00 42.44           C
ATOM    532  C   LEU A  35      -2.434   3.691  -6.205  1.00 41.42           C
ATOM    533  O   LEU A  35      -2.807   2.632  -5.695  1.00 55.34           O
ATOM    534  CB  LEU A  35      -0.933   2.773  -7.959  1.00 45.54           C
ATOM    535  CG  LEU A  35      -1.848   3.001  -9.159  1.00 71.43           C
ATOM    536  CD1 LEU A  35      -1.498   4.305  -9.862  1.00 75.23           C
ATOM    537  CD2 LEU A  35      -1.764   1.832 -10.126  1.00 71.34           C
ATOM      0  H   LEU A  35       0.224   2.638  -5.676  1.00 41.31           H   new
ATOM      0  HA  LEU A  35      -0.937   4.800  -7.272  1.00 42.44           H   new
ATOM      0  HB2 LEU A  35       0.100   2.762  -8.306  1.00 45.54           H   new
ATOM      0  HB3 LEU A  35      -1.141   1.786  -7.545  1.00 45.54           H   new
ATOM      0  HG  LEU A  35      -2.874   3.073  -8.797  1.00 71.43           H   new
ATOM      0 HD11 LEU A  35      -2.162   4.448 -10.714  1.00 75.23           H   new
ATOM      0 HD12 LEU A  35      -1.615   5.136  -9.167  1.00 75.23           H   new
ATOM      0 HD13 LEU A  35      -0.465   4.266 -10.209  1.00 75.23           H   new
ATOM      0 HD21 LEU A  35      -2.424   2.014 -10.975  1.00 71.34           H   new
ATOM      0 HD22 LEU A  35      -0.739   1.725 -10.480  1.00 71.34           H   new
ATOM      0 HD23 LEU A  35      -2.070   0.917  -9.618  1.00 71.34           H   new
ATOM    549  N   PHE A  36      -3.169   4.781  -6.222  1.00 32.41           N
ATOM    550  CA  PHE A  36      -4.519   4.803  -5.688  1.00 31.11           C
ATOM    551  C   PHE A  36      -5.506   4.487  -6.794  1.00 22.02           C
ATOM    552  O   PHE A  36      -5.302   4.877  -7.947  1.00 62.02           O
ATOM    553  CB  PHE A  36      -4.836   6.165  -5.076  1.00 40.41           C
ATOM    554  CG  PHE A  36      -3.919   6.547  -3.949  1.00 12.15           C
ATOM    555  CD1 PHE A  36      -4.127   6.053  -2.672  1.00 34.02           C
ATOM    556  CD2 PHE A  36      -2.850   7.405  -4.165  1.00 23.21           C
ATOM    557  CE1 PHE A  36      -3.289   6.405  -1.633  1.00 24.23           C
ATOM    558  CE2 PHE A  36      -2.010   7.760  -3.128  1.00 24.31           C
ATOM    559  CZ  PHE A  36      -2.231   7.260  -1.861  1.00 12.22           C
ATOM      0  H   PHE A  36      -2.853   5.673  -6.603  1.00 32.41           H   new
ATOM      0  HA  PHE A  36      -4.599   4.050  -4.904  1.00 31.11           H   new
ATOM      0  HB2 PHE A  36      -4.778   6.926  -5.854  1.00 40.41           H   new
ATOM      0  HB3 PHE A  36      -5.863   6.160  -4.711  1.00 40.41           H   new
ATOM      0  HD1 PHE A  36      -4.955   5.384  -2.487  1.00 34.02           H   new
ATOM      0  HD2 PHE A  36      -2.673   7.799  -5.155  1.00 23.21           H   new
ATOM      0  HE1 PHE A  36      -3.462   6.011  -0.642  1.00 24.23           H   new
ATOM      0  HE2 PHE A  36      -1.181   8.428  -3.308  1.00 24.31           H   new
ATOM      0  HZ  PHE A  36      -1.576   7.538  -1.049  1.00 12.22           H   new
ATOM    569  N   GLU A  37      -6.568   3.787  -6.445  1.00 44.00           N
ATOM    570  CA  GLU A  37      -7.547   3.355  -7.424  1.00 74.04           C
ATOM    571  C   GLU A  37      -8.946   3.456  -6.830  1.00 20.53           C
ATOM    572  O   GLU A  37      -9.286   2.733  -5.894  1.00 54.54           O
ATOM    573  CB  GLU A  37      -7.232   1.917  -7.866  1.00 23.02           C
ATOM    574  CG  GLU A  37      -7.769   1.543  -9.244  1.00 62.30           C
ATOM    575  CD  GLU A  37      -9.230   1.140  -9.243  1.00 55.41           C
ATOM    576  OE1 GLU A  37     -10.099   2.027  -9.337  1.00 52.11           O
ATOM    577  OE2 GLU A  37      -9.513  -0.074  -9.193  1.00 11.10           O
ATOM      0  H   GLU A  37      -6.775   3.504  -5.487  1.00 44.00           H   new
ATOM      0  HA  GLU A  37      -7.504   4.000  -8.302  1.00 74.04           H   new
ATOM      0  HB2 GLU A  37      -6.151   1.779  -7.862  1.00 23.02           H   new
ATOM      0  HB3 GLU A  37      -7.644   1.226  -7.130  1.00 23.02           H   new
ATOM      0  HG2 GLU A  37      -7.636   2.390  -9.917  1.00 62.30           H   new
ATOM      0  HG3 GLU A  37      -7.175   0.721  -9.644  1.00 62.30           H   new
ATOM    584  N   ASN A  38      -9.740   4.372  -7.362  1.00 22.22           N
ATOM    585  CA  ASN A  38     -11.089   4.600  -6.862  1.00 24.25           C
ATOM    586  C   ASN A  38     -12.084   4.615  -8.016  1.00 12.33           C
ATOM    587  O   ASN A  38     -12.463   5.682  -8.510  1.00 52.14           O
ATOM    588  CB  ASN A  38     -11.162   5.920  -6.082  1.00  3.53           C
ATOM    589  CG  ASN A  38     -12.506   6.133  -5.404  1.00 33.13           C
ATOM    590  OD1 ASN A  38     -12.703   5.734  -4.257  1.00  3.44           O
ATOM    591  ND2 ASN A  38     -13.439   6.765  -6.105  1.00  1.51           N
ATOM      0  H   ASN A  38      -9.473   4.972  -8.143  1.00 22.22           H   new
ATOM      0  HA  ASN A  38     -11.347   3.785  -6.185  1.00 24.25           H   new
ATOM      0  HB2 ASN A  38     -10.374   5.935  -5.329  1.00  3.53           H   new
ATOM      0  HB3 ASN A  38     -10.968   6.749  -6.762  1.00  3.53           H   new
ATOM      0 HD21 ASN A  38     -14.357   6.935  -5.695  1.00  1.51           H   new
ATOM      0 HD22 ASN A  38     -13.238   7.081  -7.054  1.00  1.51           H   new
ATOM    598  N   GLY A  39     -12.457   3.431  -8.478  1.00 73.33           N
ATOM    599  CA  GLY A  39     -13.463   3.309  -9.517  1.00 61.35           C
ATOM    600  C   GLY A  39     -12.977   3.809 -10.862  1.00 10.40           C
ATOM    601  O   GLY A  39     -12.409   3.051 -11.650  1.00 31.13           O
ATOM      0  H   GLY A  39     -12.078   2.543  -8.149  1.00 73.33           H   new
ATOM      0  HA2 GLY A  39     -13.761   2.264  -9.608  1.00 61.35           H   new
ATOM      0  HA3 GLY A  39     -14.351   3.869  -9.225  1.00 61.35           H   new
ATOM    605  N   ASN A  40     -13.202   5.086 -11.122  1.00 51.20           N
ATOM    606  CA  ASN A  40     -12.788   5.704 -12.370  1.00 45.23           C
ATOM    607  C   ASN A  40     -11.505   6.493 -12.162  1.00 62.33           C
ATOM    608  O   ASN A  40     -10.746   6.743 -13.099  1.00 13.22           O
ATOM    609  CB  ASN A  40     -13.890   6.632 -12.876  1.00 43.11           C
ATOM    610  CG  ASN A  40     -13.567   7.272 -14.213  1.00 21.45           C
ATOM    611  OD1 ASN A  40     -12.910   6.673 -15.068  1.00 62.14           O
ATOM    612  ND2 ASN A  40     -14.017   8.503 -14.398  1.00 33.32           N
ATOM      0  H   ASN A  40     -13.674   5.720 -10.478  1.00 51.20           H   new
ATOM      0  HA  ASN A  40     -12.607   4.924 -13.109  1.00 45.23           H   new
ATOM      0  HB2 ASN A  40     -14.818   6.068 -12.966  1.00 43.11           H   new
ATOM      0  HB3 ASN A  40     -14.063   7.415 -12.138  1.00 43.11           H   new
ATOM      0 HD21 ASN A  40     -13.824   8.991 -15.273  1.00 33.32           H   new
ATOM      0 HD22 ASN A  40     -14.557   8.964 -13.666  1.00 33.32           H   new
ATOM    619  N   TRP A  41     -11.265   6.866 -10.919  1.00 12.34           N
ATOM    620  CA  TRP A  41     -10.126   7.695 -10.575  1.00 22.25           C
ATOM    621  C   TRP A  41      -8.928   6.843 -10.198  1.00 44.40           C
ATOM    622  O   TRP A  41      -9.066   5.774  -9.601  1.00 43.33           O
ATOM    623  CB  TRP A  41     -10.501   8.632  -9.428  1.00 34.24           C
ATOM    624  CG  TRP A  41      -9.397   9.531  -8.953  1.00 61.41           C
ATOM    625  CD1 TRP A  41      -8.970  10.689  -9.540  1.00 43.44           C
ATOM    626  CD2 TRP A  41      -8.594   9.356  -7.777  1.00 61.53           C
ATOM    627  NE1 TRP A  41      -7.955  11.245  -8.801  1.00 65.35           N
ATOM    628  CE2 TRP A  41      -7.705  10.444  -7.715  1.00 43.32           C
ATOM    629  CE3 TRP A  41      -8.544   8.385  -6.771  1.00 64.42           C
ATOM    630  CZ2 TRP A  41      -6.777  10.592  -6.688  1.00 20.31           C
ATOM    631  CZ3 TRP A  41      -7.619   8.530  -5.753  1.00 41.32           C
ATOM    632  CH2 TRP A  41      -6.749   9.628  -5.716  1.00 62.45           C
ATOM      0  H   TRP A  41     -11.849   6.605 -10.125  1.00 12.34           H   new
ATOM      0  HA  TRP A  41      -9.850   8.289 -11.446  1.00 22.25           H   new
ATOM      0  HB2 TRP A  41     -11.341   9.250  -9.744  1.00 34.24           H   new
ATOM      0  HB3 TRP A  41     -10.846   8.031  -8.587  1.00 34.24           H   new
ATOM      0  HD1 TRP A  41      -9.372  11.106 -10.452  1.00 43.44           H   new
ATOM      0  HE1 TRP A  41      -7.466  12.112  -9.023  1.00 65.35           H   new
ATOM      0  HE3 TRP A  41      -9.215   7.539  -6.789  1.00 64.42           H   new
ATOM      0  HZ2 TRP A  41      -6.104  11.436  -6.659  1.00 20.31           H   new
ATOM      0  HZ3 TRP A  41      -7.566   7.784  -4.973  1.00 41.32           H   new
ATOM      0  HH2 TRP A  41      -6.042   9.716  -4.904  1.00 62.45           H   new
ATOM    643  N   ASP A  42      -7.761   7.327 -10.567  1.00 62.11           N
ATOM    644  CA  ASP A  42      -6.498   6.687 -10.219  1.00 61.22           C
ATOM    645  C   ASP A  42      -5.419   7.745 -10.093  1.00 71.43           C
ATOM    646  O   ASP A  42      -5.515   8.813 -10.705  1.00 22.43           O
ATOM    647  CB  ASP A  42      -6.086   5.628 -11.256  1.00 33.35           C
ATOM    648  CG  ASP A  42      -5.751   6.215 -12.617  1.00 43.13           C
ATOM    649  OD1 ASP A  42      -6.679   6.398 -13.434  1.00  2.24           O
ATOM    650  OD2 ASP A  42      -4.560   6.479 -12.887  1.00 54.01           O
ATOM      0  H   ASP A  42      -7.655   8.178 -11.119  1.00 62.11           H   new
ATOM      0  HA  ASP A  42      -6.628   6.173  -9.267  1.00 61.22           H   new
ATOM      0  HB2 ASP A  42      -5.221   5.081 -10.882  1.00 33.35           H   new
ATOM      0  HB3 ASP A  42      -6.895   4.906 -11.369  1.00 33.35           H   new
ATOM    655  N   LYS A  43      -4.404   7.458  -9.295  1.00 72.14           N
ATOM    656  CA  LYS A  43      -3.361   8.431  -9.017  1.00 42.12           C
ATOM    657  C   LYS A  43      -2.125   7.751  -8.448  1.00 25.43           C
ATOM    658  O   LYS A  43      -2.214   6.978  -7.495  1.00 20.34           O
ATOM    659  CB  LYS A  43      -3.878   9.474  -8.024  1.00  0.24           C
ATOM    660  CG  LYS A  43      -2.914  10.615  -7.751  1.00 51.21           C
ATOM    661  CD  LYS A  43      -2.730  11.501  -8.968  1.00  1.32           C
ATOM    662  CE  LYS A  43      -1.839  12.691  -8.651  1.00 70.43           C
ATOM    663  NZ  LYS A  43      -2.366  13.496  -7.514  1.00 35.21           N
ATOM      0  H   LYS A  43      -4.280   6.559  -8.828  1.00 72.14           H   new
ATOM      0  HA  LYS A  43      -3.088   8.920  -9.952  1.00 42.12           H   new
ATOM      0  HB2 LYS A  43      -4.812   9.887  -8.404  1.00  0.24           H   new
ATOM      0  HB3 LYS A  43      -4.109   8.977  -7.082  1.00  0.24           H   new
ATOM      0  HG2 LYS A  43      -3.285  11.213  -6.919  1.00 51.21           H   new
ATOM      0  HG3 LYS A  43      -1.949  10.210  -7.447  1.00 51.21           H   new
ATOM      0  HD2 LYS A  43      -2.292  10.921  -9.780  1.00  1.32           H   new
ATOM      0  HD3 LYS A  43      -3.701  11.853  -9.315  1.00  1.32           H   new
ATOM      0  HE2 LYS A  43      -0.836  12.339  -8.411  1.00 70.43           H   new
ATOM      0  HE3 LYS A  43      -1.752  13.324  -9.534  1.00 70.43           H   new
ATOM      0  HZ1 LYS A  43      -1.841  14.391  -7.449  1.00 35.21           H   new
ATOM      0  HZ2 LYS A  43      -3.375  13.697  -7.669  1.00 35.21           H   new
ATOM      0  HZ3 LYS A  43      -2.251  12.963  -6.629  1.00 35.21           H   new
ATOM    677  N   LEU A  44      -0.980   8.031  -9.043  1.00 51.43           N
ATOM    678  CA  LEU A  44       0.286   7.535  -8.532  1.00 20.21           C
ATOM    679  C   LEU A  44       0.967   8.610  -7.701  1.00 30.32           C
ATOM    680  O   LEU A  44       1.376   9.645  -8.228  1.00 73.21           O
ATOM    681  CB  LEU A  44       1.197   7.105  -9.684  1.00 32.34           C
ATOM    682  CG  LEU A  44       2.570   6.569  -9.266  1.00 54.53           C
ATOM    683  CD1 LEU A  44       2.418   5.301  -8.444  1.00 40.43           C
ATOM    684  CD2 LEU A  44       3.444   6.323 -10.490  1.00  2.23           C
ATOM      0  H   LEU A  44      -0.900   8.602  -9.884  1.00 51.43           H   new
ATOM      0  HA  LEU A  44       0.092   6.667  -7.902  1.00 20.21           H   new
ATOM      0  HB2 LEU A  44       0.685   6.336 -10.263  1.00 32.34           H   new
ATOM      0  HB3 LEU A  44       1.344   7.958 -10.347  1.00 32.34           H   new
ATOM      0  HG  LEU A  44       3.061   7.319  -8.646  1.00 54.53           H   new
ATOM      0 HD11 LEU A  44       3.403   4.934  -8.156  1.00 40.43           H   new
ATOM      0 HD12 LEU A  44       1.834   5.516  -7.549  1.00 40.43           H   new
ATOM      0 HD13 LEU A  44       1.907   4.542  -9.037  1.00 40.43           H   new
ATOM      0 HD21 LEU A  44       4.415   5.943 -10.173  1.00  2.23           H   new
ATOM      0 HD22 LEU A  44       2.963   5.592 -11.140  1.00  2.23           H   new
ATOM      0 HD23 LEU A  44       3.580   7.258 -11.034  1.00  2.23           H   new
ATOM    696  N   VAL A  45       1.063   8.381  -6.403  1.00 52.43           N
ATOM    697  CA  VAL A  45       1.711   9.331  -5.511  1.00 31.32           C
ATOM    698  C   VAL A  45       2.794   8.640  -4.692  1.00 34.30           C
ATOM    699  O   VAL A  45       2.544   7.624  -4.046  1.00 42.23           O
ATOM    700  CB  VAL A  45       0.704  10.008  -4.551  1.00 74.11           C
ATOM    701  CG1 VAL A  45       1.395  11.071  -3.708  1.00 15.01           C
ATOM    702  CG2 VAL A  45      -0.459  10.615  -5.322  1.00 31.01           C
ATOM      0  H   VAL A  45       0.701   7.546  -5.942  1.00 52.43           H   new
ATOM      0  HA  VAL A  45       2.155  10.102  -6.140  1.00 31.32           H   new
ATOM      0  HB  VAL A  45       0.308   9.242  -3.885  1.00 74.11           H   new
ATOM      0 HG11 VAL A  45       0.669  11.534  -3.040  1.00 15.01           H   new
ATOM      0 HG12 VAL A  45       2.187  10.610  -3.119  1.00 15.01           H   new
ATOM      0 HG13 VAL A  45       1.824  11.831  -4.361  1.00 15.01           H   new
ATOM      0 HG21 VAL A  45      -1.152  11.085  -4.624  1.00 31.01           H   new
ATOM      0 HG22 VAL A  45      -0.082  11.364  -6.019  1.00 31.01           H   new
ATOM      0 HG23 VAL A  45      -0.976   9.832  -5.876  1.00 31.01           H   new
ATOM    712  N   THR A  46       4.001   9.175  -4.745  1.00 21.44           N
ATOM    713  CA  THR A  46       5.098   8.656  -3.951  1.00 50.51           C
ATOM    714  C   THR A  46       4.932   9.036  -2.480  1.00 71.54           C
ATOM    715  O   THR A  46       4.499  10.144  -2.151  1.00 35.13           O
ATOM    716  CB  THR A  46       6.445   9.194  -4.463  1.00 44.22           C
ATOM    717  OG1 THR A  46       6.493   9.098  -5.893  1.00 11.01           O
ATOM    718  CG2 THR A  46       7.609   8.422  -3.865  1.00 41.13           C
ATOM      0  H   THR A  46       4.246   9.972  -5.333  1.00 21.44           H   new
ATOM      0  HA  THR A  46       5.086   7.570  -4.044  1.00 50.51           H   new
ATOM      0  HB  THR A  46       6.531  10.237  -4.158  1.00 44.22           H   new
ATOM      0  HG1 THR A  46       7.352   9.443  -6.215  1.00 11.01           H   new
ATOM      0 HG21 THR A  46       8.547   8.826  -4.246  1.00 41.13           H   new
ATOM      0 HG22 THR A  46       7.588   8.515  -2.779  1.00 41.13           H   new
ATOM      0 HG23 THR A  46       7.528   7.370  -4.140  1.00 41.13           H   new
ATOM    726  N   PHE A  47       5.262   8.096  -1.615  1.00  1.34           N
ATOM    727  CA  PHE A  47       5.239   8.299  -0.176  1.00 52.31           C
ATOM    728  C   PHE A  47       6.483   7.684   0.436  1.00 31.13           C
ATOM    729  O   PHE A  47       7.351   7.178  -0.275  1.00 32.04           O
ATOM    730  CB  PHE A  47       4.011   7.638   0.466  1.00 23.43           C
ATOM    731  CG  PHE A  47       2.710   8.352   0.244  1.00 40.35           C
ATOM    732  CD1 PHE A  47       1.968   8.135  -0.903  1.00  2.24           C
ATOM    733  CD2 PHE A  47       2.221   9.224   1.201  1.00 31.50           C
ATOM    734  CE1 PHE A  47       0.765   8.781  -1.095  1.00 11.14           C
ATOM    735  CE2 PHE A  47       1.017   9.868   1.015  1.00 61.04           C
ATOM    736  CZ  PHE A  47       0.287   9.647  -0.134  1.00 72.44           C
ATOM      0  H   PHE A  47       5.557   7.160  -1.893  1.00  1.34           H   new
ATOM      0  HA  PHE A  47       5.199   9.372   0.009  1.00 52.31           H   new
ATOM      0  HB2 PHE A  47       3.921   6.623   0.078  1.00 23.43           H   new
ATOM      0  HB3 PHE A  47       4.183   7.555   1.539  1.00 23.43           H   new
ATOM      0  HD1 PHE A  47       2.335   7.453  -1.656  1.00  2.24           H   new
ATOM      0  HD2 PHE A  47       2.789   9.402   2.102  1.00 31.50           H   new
ATOM      0  HE1 PHE A  47       0.197   8.609  -1.998  1.00 11.14           H   new
ATOM      0  HE2 PHE A  47       0.645  10.546   1.769  1.00 61.04           H   new
ATOM      0  HZ  PHE A  47      -0.657  10.151  -0.281  1.00 72.44           H   new
ATOM    746  N   ARG A  48       6.560   7.721   1.752  1.00 71.31           N
ATOM    747  CA  ARG A  48       7.589   6.991   2.468  1.00 52.40           C
ATOM    748  C   ARG A  48       7.061   5.609   2.827  1.00 15.14           C
ATOM    749  O   ARG A  48       5.917   5.278   2.522  1.00  4.02           O
ATOM    750  CB  ARG A  48       8.000   7.725   3.746  1.00 22.21           C
ATOM    751  CG  ARG A  48       8.718   9.043   3.520  1.00 42.11           C
ATOM    752  CD  ARG A  48       9.057   9.694   4.849  1.00 34.32           C
ATOM    753  NE  ARG A  48       9.923  10.862   4.712  1.00 14.40           N
ATOM    754  CZ  ARG A  48      10.327  11.597   5.749  1.00 20.51           C
ATOM    755  NH1 ARG A  48       9.870  11.329   6.966  1.00 54.43           N
ATOM    756  NH2 ARG A  48      11.170  12.606   5.575  1.00 72.31           N
ATOM      0  H   ARG A  48       5.922   8.249   2.348  1.00 71.31           H   new
ATOM      0  HA  ARG A  48       8.465   6.907   1.825  1.00 52.40           H   new
ATOM      0  HB2 ARG A  48       7.108   7.911   4.344  1.00 22.21           H   new
ATOM      0  HB3 ARG A  48       8.646   7.071   4.332  1.00 22.21           H   new
ATOM      0  HG2 ARG A  48       9.630   8.874   2.947  1.00 42.11           H   new
ATOM      0  HG3 ARG A  48       8.090   9.711   2.930  1.00 42.11           H   new
ATOM      0  HD2 ARG A  48       8.134   9.990   5.347  1.00 34.32           H   new
ATOM      0  HD3 ARG A  48       9.545   8.961   5.492  1.00 34.32           H   new
ATOM      0  HE  ARG A  48      10.234  11.129   3.778  1.00 14.40           H   new
ATOM      0 HH11 ARG A  48       9.212  10.563   7.106  1.00 54.43           H   new
ATOM      0 HH12 ARG A  48      10.177  11.889   7.761  1.00 54.43           H   new
ATOM      0 HH21 ARG A  48      11.516  12.826   4.641  1.00 72.31           H   new
ATOM      0 HH22 ARG A  48      11.472  13.162   6.375  1.00 72.31           H   new
ATOM    770  N   LEU A  49       7.875   4.822   3.497  1.00 60.40           N
ATOM    771  CA  LEU A  49       7.461   3.503   3.939  1.00 74.04           C
ATOM    772  C   LEU A  49       6.787   3.626   5.292  1.00 12.11           C
ATOM    773  O   LEU A  49       5.849   2.898   5.603  1.00 74.41           O
ATOM    774  CB  LEU A  49       8.657   2.550   4.021  1.00 51.30           C
ATOM    775  CG  LEU A  49       9.374   2.285   2.694  1.00 30.51           C
ATOM    776  CD1 LEU A  49      10.522   1.313   2.895  1.00 43.23           C
ATOM    777  CD2 LEU A  49       8.403   1.751   1.653  1.00  2.01           C
ATOM      0  H   LEU A  49       8.831   5.072   3.749  1.00 60.40           H   new
ATOM      0  HA  LEU A  49       6.759   3.088   3.215  1.00 74.04           H   new
ATOM      0  HB2 LEU A  49       9.378   2.958   4.730  1.00 51.30           H   new
ATOM      0  HB3 LEU A  49       8.315   1.598   4.427  1.00 51.30           H   new
ATOM      0  HG  LEU A  49       9.778   3.230   2.331  1.00 30.51           H   new
ATOM      0 HD11 LEU A  49      11.020   1.136   1.942  1.00 43.23           H   new
ATOM      0 HD12 LEU A  49      11.235   1.733   3.604  1.00 43.23           H   new
ATOM      0 HD13 LEU A  49      10.137   0.370   3.283  1.00 43.23           H   new
ATOM      0 HD21 LEU A  49       8.934   1.570   0.719  1.00  2.01           H   new
ATOM      0 HD22 LEU A  49       7.966   0.818   2.008  1.00  2.01           H   new
ATOM      0 HD23 LEU A  49       7.612   2.482   1.485  1.00  2.01           H   new
ATOM    789  N   SER A  50       7.259   4.584   6.083  1.00 25.53           N
ATOM    790  CA  SER A  50       6.687   4.877   7.368  1.00 75.42           C
ATOM    791  C   SER A  50       5.316   5.530   7.223  1.00 35.33           C
ATOM    792  O   SER A  50       4.548   5.617   8.183  1.00 34.25           O
ATOM    793  CB  SER A  50       7.628   5.797   8.108  1.00  4.45           C
ATOM    794  OG  SER A  50       8.929   5.236   8.208  1.00 35.33           O
ATOM      0  H   SER A  50       8.053   5.175   5.838  1.00 25.53           H   new
ATOM      0  HA  SER A  50       6.550   3.949   7.924  1.00 75.42           H   new
ATOM      0  HB2 SER A  50       7.682   6.756   7.592  1.00  4.45           H   new
ATOM      0  HB3 SER A  50       7.237   5.993   9.106  1.00  4.45           H   new
ATOM      0  HG  SER A  50       9.516   5.855   8.690  1.00 35.33           H   new
ATOM    800  N   GLU A  51       5.011   5.986   6.015  1.00 33.32           N
ATOM    801  CA  GLU A  51       3.728   6.623   5.741  1.00 54.42           C
ATOM    802  C   GLU A  51       2.645   5.576   5.531  1.00 55.24           C
ATOM    803  O   GLU A  51       1.450   5.863   5.635  1.00 31.14           O
ATOM    804  CB  GLU A  51       3.825   7.507   4.498  1.00 53.43           C
ATOM    805  CG  GLU A  51       4.802   8.656   4.638  1.00 64.25           C
ATOM    806  CD  GLU A  51       4.379   9.644   5.697  1.00 14.44           C
ATOM    807  OE1 GLU A  51       4.711   9.433   6.881  1.00 15.34           O
ATOM    808  OE2 GLU A  51       3.719  10.639   5.347  1.00 74.34           O
ATOM      0  H   GLU A  51       5.634   5.927   5.209  1.00 33.32           H   new
ATOM      0  HA  GLU A  51       3.468   7.239   6.601  1.00 54.42           H   new
ATOM      0  HB2 GLU A  51       4.122   6.892   3.649  1.00 53.43           H   new
ATOM      0  HB3 GLU A  51       2.837   7.908   4.271  1.00 53.43           H   new
ATOM      0  HG2 GLU A  51       5.788   8.263   4.885  1.00 64.25           H   new
ATOM      0  HG3 GLU A  51       4.894   9.170   3.681  1.00 64.25           H   new
ATOM    815  N   LEU A  52       3.074   4.360   5.246  1.00 14.21           N
ATOM    816  CA  LEU A  52       2.167   3.298   4.870  1.00  2.23           C
ATOM    817  C   LEU A  52       2.173   2.177   5.896  1.00 71.44           C
ATOM    818  O   LEU A  52       3.126   2.018   6.661  1.00 54.22           O
ATOM    819  CB  LEU A  52       2.592   2.737   3.516  1.00 41.14           C
ATOM    820  CG  LEU A  52       2.721   3.768   2.395  1.00 21.14           C
ATOM    821  CD1 LEU A  52       3.397   3.152   1.184  1.00 74.50           C
ATOM    822  CD2 LEU A  52       1.355   4.321   2.019  1.00 54.11           C
ATOM      0  H   LEU A  52       4.056   4.085   5.269  1.00 14.21           H   new
ATOM      0  HA  LEU A  52       1.159   3.709   4.817  1.00  2.23           H   new
ATOM      0  HB2 LEU A  52       3.550   2.232   3.635  1.00 41.14           H   new
ATOM      0  HB3 LEU A  52       1.869   1.981   3.211  1.00 41.14           H   new
ATOM      0  HG  LEU A  52       3.338   4.592   2.753  1.00 21.14           H   new
ATOM      0 HD11 LEU A  52       3.481   3.899   0.395  1.00 74.50           H   new
ATOM      0 HD12 LEU A  52       4.392   2.803   1.461  1.00 74.50           H   new
ATOM      0 HD13 LEU A  52       2.804   2.311   0.825  1.00 74.50           H   new
ATOM      0 HD21 LEU A  52       1.466   5.053   1.220  1.00 54.11           H   new
ATOM      0 HD22 LEU A  52       0.714   3.507   1.679  1.00 54.11           H   new
ATOM      0 HD23 LEU A  52       0.904   4.799   2.889  1.00 54.11           H   new
ATOM    834  N   GLU A  53       1.096   1.416   5.912  1.00 25.12           N
ATOM    835  CA  GLU A  53       1.042   0.177   6.661  1.00 30.50           C
ATOM    836  C   GLU A  53       0.652  -0.948   5.715  1.00 74.15           C
ATOM    837  O   GLU A  53      -0.101  -0.728   4.762  1.00 71.35           O
ATOM    838  CB  GLU A  53       0.040   0.268   7.813  1.00 54.12           C
ATOM    839  CG  GLU A  53      -1.401   0.424   7.360  1.00 45.52           C
ATOM    840  CD  GLU A  53      -2.376   0.425   8.516  1.00  4.51           C
ATOM    841  OE1 GLU A  53      -2.633  -0.658   9.082  1.00 33.24           O
ATOM    842  OE2 GLU A  53      -2.889   1.508   8.871  1.00 50.44           O
ATOM      0  H   GLU A  53       0.237   1.638   5.408  1.00 25.12           H   new
ATOM      0  HA  GLU A  53       2.023  -0.019   7.094  1.00 30.50           H   new
ATOM      0  HB2 GLU A  53       0.123  -0.629   8.427  1.00 54.12           H   new
ATOM      0  HB3 GLU A  53       0.305   1.114   8.447  1.00 54.12           H   new
ATOM      0  HG2 GLU A  53      -1.504   1.354   6.802  1.00 45.52           H   new
ATOM      0  HG3 GLU A  53      -1.653  -0.387   6.677  1.00 45.52           H   new
ATOM    849  N   ALA A  54       1.171  -2.139   5.955  1.00  2.33           N
ATOM    850  CA  ALA A  54       0.843  -3.281   5.120  1.00 25.00           C
ATOM    851  C   ALA A  54      -0.541  -3.807   5.468  1.00 20.44           C
ATOM    852  O   ALA A  54      -0.823  -4.122   6.626  1.00 52.12           O
ATOM    853  CB  ALA A  54       1.889  -4.373   5.279  1.00 43.21           C
ATOM      0  H   ALA A  54       1.818  -2.340   6.717  1.00  2.33           H   new
ATOM      0  HA  ALA A  54       0.839  -2.962   4.078  1.00 25.00           H   new
ATOM      0  HB1 ALA A  54       1.628  -5.222   4.647  1.00 43.21           H   new
ATOM      0  HB2 ALA A  54       2.865  -3.987   4.985  1.00 43.21           H   new
ATOM      0  HB3 ALA A  54       1.925  -4.694   6.320  1.00 43.21           H   new
ATOM    859  N   VAL A  55      -1.417  -3.873   4.477  1.00 22.14           N
ATOM    860  CA  VAL A  55      -2.743  -4.419   4.700  1.00 64.32           C
ATOM    861  C   VAL A  55      -2.659  -5.938   4.695  1.00 13.32           C
ATOM    862  O   VAL A  55      -1.689  -6.520   4.207  1.00 43.00           O
ATOM    863  CB  VAL A  55      -3.772  -3.961   3.644  1.00 60.22           C
ATOM    864  CG1 VAL A  55      -5.195  -4.153   4.148  1.00 42.01           C
ATOM    865  CG2 VAL A  55      -3.538  -2.511   3.249  1.00 40.15           C
ATOM      0  H   VAL A  55      -1.236  -3.559   3.523  1.00 22.14           H   new
ATOM      0  HA  VAL A  55      -3.090  -4.046   5.664  1.00 64.32           H   new
ATOM      0  HB  VAL A  55      -3.638  -4.583   2.759  1.00 60.22           H   new
ATOM      0 HG11 VAL A  55      -5.899  -3.822   3.384  1.00 42.01           H   new
ATOM      0 HG12 VAL A  55      -5.365  -5.207   4.366  1.00 42.01           H   new
ATOM      0 HG13 VAL A  55      -5.342  -3.567   5.055  1.00 42.01           H   new
ATOM      0 HG21 VAL A  55      -4.276  -2.213   2.504  1.00 40.15           H   new
ATOM      0 HG22 VAL A  55      -3.633  -1.874   4.129  1.00 40.15           H   new
ATOM      0 HG23 VAL A  55      -2.537  -2.405   2.831  1.00 40.15           H   new