JAL-2136 fixed failing unit test for Phyre2Client

diff --git a/examples/testdata/phyre2results/56da5616b4559c93/d1a70a_.fasta b/examples/testdata/phyre2results/56da5616b4559c93/d1a70a_.fasta
new file mode 100644 (file)
index 0000000..852c8d1
--- /dev/null
+++ b/examples/testdata/phyre2results/56da5616b4559c93/d1a70a_.fasta
@@ -0,0 +1,6 @@
+>O80429_MAIZE/13-139
+APPPCFSSPLRLRVAVAKPLAAPMRRQLLRAQATYNVKLITPEGEVELQVPDDVYILDFAEEEGIDLPFSCRAGSCSSCAGKVVSGSVDQSDQSFLNDNQ
+VADGWVLTCAAYPTSDVVIETHKEDDL
+>d1a70a_/33-127
+--------------------------------AAYKVTLVTPTGNVEFQCPDDVYILDAAEEEGIDLPYSCRAGSCSSCAGKLKTGSLNQDDQSFLDDDQ
+IDEGWVLTCAAYPVSDVTIETHKKEEL

diff --git a/examples/testdata/phyre2results/56da5616b4559c93/d1a70a_.pdb b/examples/testdata/phyre2results/56da5616b4559c93/d1a70a_.pdb
new file mode 100644 (file)
index 0000000..2f72020
--- /dev/null
+++ b/examples/testdata/phyre2results/56da5616b4559c93/d1a70a_.pdb
@@ -0,0 +1,716 @@
+ATOM      1  N   ALA    33      -3.158   2.556   5.634  1.00 64.26           N  
+ATOM      2  CA  ALA    33      -3.827   3.747   6.121  1.00 56.75           C  
+ATOM      3  C   ALA    33      -5.273   3.645   5.716  1.00 52.65           C  
+ATOM      4  O   ALA    33      -5.974   3.001   6.455  1.00 48.15           O  
+ATOM      5  CB  ALA    33      -3.790   3.731   7.639  1.00 57.60           C  
+ATOM      6  N   THR    34      -5.680   4.163   4.552  1.00 44.72           N  
+ATOM      7  CA  THR    34      -7.062   4.056   4.098  1.00 39.74           C  
+ATOM      8  C   THR    34      -7.045   3.803   2.605  1.00 38.97           C  
+ATOM      9  O   THR    34      -6.081   4.139   1.892  1.00 35.65           O  
+ATOM     10  CB  THR    34      -7.806   5.316   4.446  1.00 39.07           C  
+ATOM     11  OG1 THR    34      -7.243   6.422   3.756  1.00  0.00           O  
+ATOM     12  CG2 THR    34      -7.711   5.560   5.962  1.00  0.00           C  
+ATOM     13  N   TYR    35      -8.098   3.215   2.080  1.00 35.77           N  
+ATOM     14  CA  TYR    35      -8.011   2.902   0.673  1.00 34.41           C  
+ATOM     15  C   TYR    35      -9.319   3.197  -0.000  1.00 33.59           C  
+ATOM     16  O   TYR    35     -10.324   3.488   0.655  1.00 31.95           O  
+ATOM     17  CB  TYR    35      -7.566   1.437   0.328  1.00 39.83           C  
+ATOM     18  CG  TYR    35      -6.305   0.930   1.027  1.00  0.00           C  
+ATOM     19  CD1 TYR    35      -5.052   1.174   0.462  1.00  0.00           C  
+ATOM     20  CD2 TYR    35      -6.407   0.198   2.220  1.00  0.00           C  
+ATOM     21  CE1 TYR    35      -3.897   0.693   1.088  1.00  0.00           C  
+ATOM     22  CE2 TYR    35      -5.251  -0.283   2.848  1.00  0.00           C  
+ATOM     23  CZ  TYR    35      -3.997  -0.034   2.280  1.00  0.00           C  
+ATOM     24  OH  TYR    35      -2.871  -0.498   2.883  1.00  0.00           O  
+ATOM     25  N   ASN    36      -9.270   3.126  -1.300  1.00 25.97           N  
+ATOM     26  CA  ASN    36     -10.435   3.443  -2.099  1.00 26.02           C  
+ATOM     27  C   ASN    36     -11.229   2.188  -2.436  1.00 27.15           C  
+ATOM     28  O   ASN    36     -10.720   1.244  -3.062  1.00 29.78           O  
+ATOM     29  CB  ASN    36     -10.020   4.142  -3.382  1.00 28.74           C  
+ATOM     30  CG  ASN    36     -11.284   4.570  -4.114  1.00  0.00           C  
+ATOM     31  OD1 ASN    36     -12.347   3.977  -3.942  1.00  0.00           O  
+ATOM     32  ND2 ASN    36     -11.236   5.624  -4.973  1.00  0.00           N  
+ATOM     33  N   VAL    37     -12.478   2.215  -2.005  1.00 25.81           N  
+ATOM     34  CA  VAL    37     -13.396   1.113  -2.265  1.00 21.97           C  
+ATOM     35  C   VAL    37     -14.365   1.476  -3.331  1.00 24.32           C  
+ATOM     36  O   VAL    37     -15.039   2.482  -3.111  1.00 28.20           O  
+ATOM     37  CB  VAL    37     -14.180   0.700  -1.019  1.00 26.13           C  
+ATOM     38  CG1 VAL    37     -15.212  -0.400  -1.313  1.00  0.00           C  
+ATOM     39  CG2 VAL    37     -13.285   0.136   0.084  1.00  0.00           C  
+ATOM     40  N   LYS    38     -14.479   0.709  -4.439  1.00 23.42           N  
+ATOM     41  CA  LYS    38     -15.559   0.963  -5.404  1.00 22.77           C  
+ATOM     42  C   LYS    38     -16.607  -0.177  -5.249  1.00 27.61           C  
+ATOM     43  O   LYS    38     -16.285  -1.361  -5.367  1.00 28.00           O  
+ATOM     44  CB  LYS    38     -14.988   0.933  -6.819  1.00 26.23           C  
+ATOM     45  CG  LYS    38     -16.019   1.262  -7.900  1.00  0.00           C  
+ATOM     46  CD  LYS    38     -15.459   1.197  -9.323  1.00  0.00           C  
+ATOM     47  CE  LYS    38     -16.492   1.521 -10.404  1.00  0.00           C  
+ATOM     48  NZ  LYS    38     -15.859   1.464 -11.741  1.00  0.00           N  
+ATOM     49  N   LEU    39     -17.868   0.080  -4.969  1.00 20.82           N  
+ATOM     50  CA  LEU    39     -18.815  -1.014  -4.906  1.00 18.17           C  
+ATOM     51  C   LEU    39     -19.733  -0.869  -6.125  1.00 26.80           C  
+ATOM     52  O   LEU    39     -20.306   0.190  -6.400  1.00 31.28           O  
+ATOM     53  CB  LEU    39     -19.746  -0.918  -3.644  1.00 24.27           C  
+ATOM     54  CG  LEU    39     -19.043  -0.993  -2.248  1.00  0.00           C  
+ATOM     55  CD1 LEU    39     -20.008  -0.652  -1.075  1.00  0.00           C  
+ATOM     56  CD2 LEU    39     -18.226  -2.309  -2.064  1.00  0.00           C  
+ATOM     57  N   ILE    40     -19.957  -1.949  -6.800  1.00 24.64           N  
+ATOM     58  CA  ILE    40     -20.883  -2.073  -7.931  1.00 24.53           C  
+ATOM     59  C   ILE    40     -22.161  -2.653  -7.366  1.00 25.60           C  
+ATOM     60  O   ILE    40     -22.195  -3.884  -7.156  1.00 24.85           O  
+ATOM     61  CB  ILE    40     -20.321  -3.008  -9.045  1.00 26.13           C  
+ATOM     62  CG1 ILE    40     -18.978  -2.532  -9.624  1.00  0.00           C  
+ATOM     63  CG2 ILE    40     -21.255  -3.148 -10.258  1.00  0.00           C  
+ATOM     64  CD1 ILE    40     -18.317  -3.553 -10.548  1.00  0.00           C  
+ATOM     65  N   THR    41     -23.155  -1.762  -7.092  1.00 23.15           N  
+ATOM     66  CA  THR    41     -24.415  -2.258  -6.534  1.00 23.40           C  
+ATOM     67  C   THR    41     -25.492  -2.275  -7.584  1.00 33.13           C  
+ATOM     68  O   THR    41     -25.370  -1.671  -8.655  1.00 31.04           O  
+ATOM     69  CB  THR    41     -24.937  -1.370  -5.431  1.00 29.07           C  
+ATOM     70  OG1 THR    41     -25.673  -0.302  -6.047  1.00  0.00           O  
+ATOM     71  CG2 THR    41     -23.770  -0.802  -4.614  1.00  0.00           C  
+ATOM     72  N   PRO    42     -26.574  -2.933  -7.242  1.00 32.74           N  
+ATOM     73  CA  PRO    42     -27.647  -3.068  -8.214  1.00 40.21           C  
+ATOM     74  C   PRO    42     -28.215  -1.786  -8.797  1.00 39.02           C  
+ATOM     75  O   PRO    42     -28.690  -1.716  -9.943  1.00 40.41           O  
+ATOM     76  CB  PRO    42     -28.682  -4.032  -7.585  1.00 40.85           C  
+ATOM     77  CG  PRO    42     -27.988  -4.751  -6.419  1.00  0.00           C  
+ATOM     78  CD  PRO    42     -26.730  -3.933  -6.116  1.00  0.00           C  
+ATOM     79  N   GLU    43     -28.169  -0.777  -7.983  1.00 29.69           N  
+ATOM     80  CA  GLU    43     -28.718   0.477  -8.383  1.00 31.68           C  
+ATOM     81  C   GLU    43     -27.613   1.477  -8.710  1.00 40.26           C  
+ATOM     82  O   GLU    43     -27.861   2.695  -8.741  1.00 32.78           O  
+ATOM     83  CB  GLU    43     -29.619   1.018  -7.240  1.00 35.16           C  
+ATOM     84  CG  GLU    43     -30.829   0.130  -6.944  1.00  0.00           C  
+ATOM     85  CD  GLU    43     -31.624   0.778  -5.819  1.00  0.00           C  
+ATOM     86  OE1 GLU    43     -31.228   1.890  -5.379  1.00  0.00           O  
+ATOM     87  OE2 GLU    43     -32.638   0.169  -5.386  1.00  0.00           O  
+ATOM     88  N   GLY    44     -26.355   1.027  -8.834  1.00 29.29           N  
+ATOM     89  CA  GLY    44     -25.327   2.050  -9.095  1.00 27.67           C  
+ATOM     90  C   GLY    44     -23.975   1.906  -8.412  1.00 31.61           C  
+ATOM     91  O   GLY    44     -23.841   1.360  -7.337  1.00 27.16           O  
+ATOM     92  N   GLU    45     -22.925   2.433  -9.021  1.00 27.49           N  
+ATOM     93  CA  GLU    45     -21.583   2.408  -8.438  1.00 28.15           C  
+ATOM     94  C   GLU    45     -21.429   3.481  -7.342  1.00 34.35           C  
+ATOM     95  O   GLU    45     -21.837   4.651  -7.460  1.00 34.29           O  
+ATOM     96  CB  GLU    45     -20.539   2.703  -9.546  1.00 22.27           C  
+ATOM     97  CG  GLU    45     -20.511   1.649 -10.656  1.00  0.00           C  
+ATOM     98  CD  GLU    45     -21.627   1.974 -11.639  1.00  0.00           C  
+ATOM     99  OE1 GLU    45     -22.349   2.979 -11.404  1.00  0.00           O  
+ATOM    100  OE2 GLU    45     -21.771   1.220 -12.639  1.00  0.00           O  
+ATOM    101  N   VAL    46     -20.713   3.217  -6.275  1.00 24.93           N  
+ATOM    102  CA  VAL    46     -20.531   4.247  -5.267  1.00 24.17           C  
+ATOM    103  C   VAL    46     -19.071   4.057  -4.783  1.00 35.26           C  
+ATOM    104  O   VAL    46     -18.591   2.922  -4.660  1.00 34.14           O  
+ATOM    105  CB  VAL    46     -21.425   4.020  -4.031  1.00 35.72           C  
+ATOM    106  CG1 VAL    46     -22.890   3.773  -4.394  1.00  0.00           C  
+ATOM    107  CG2 VAL    46     -20.994   2.804  -3.209  1.00  0.00           C  
+ATOM    108  N   GLU    47     -18.338   5.132  -4.527  1.00 25.56           N  
+ATOM    109  CA  GLU    47     -16.941   5.011  -4.005  1.00 24.81           C  
+ATOM    110  C   GLU    47     -16.825   5.702  -2.643  1.00 28.51           C  
+ATOM    111  O   GLU    47     -17.620   6.566  -2.290  1.00 39.92           O  
+ATOM    112  CB  GLU    47     -15.906   5.710  -4.902  1.00 26.55           C  
+ATOM    113  CG  GLU    47     -16.014   5.407  -6.394  1.00  0.00           C  
+ATOM    114  CD  GLU    47     -15.022   6.241  -7.216  1.00  0.00           C  
+ATOM    115  OE1 GLU    47     -14.272   7.117  -6.630  1.00  0.00           O  
+ATOM    116  OE2 GLU    47     -14.937   6.074  -8.490  1.00  0.00           O  
+ATOM    117  N   LEU    48     -15.828   5.337  -1.876  1.00 26.52           N  
+ATOM    118  CA  LEU    48     -15.591   5.964  -0.561  1.00 28.30           C  
+ATOM    119  C   LEU    48     -14.250   5.437  -0.036  1.00 33.00           C  
+ATOM    120  O   LEU    48     -13.812   4.347  -0.419  1.00 30.39           O  
+ATOM    121  CB  LEU    48     -16.731   5.625   0.414  1.00 32.53           C  
+ATOM    122  CG  LEU    48     -16.710   4.174   0.897  1.00  0.00           C  
+ATOM    123  CD1 LEU    48     -17.599   3.881   2.105  1.00  0.00           C  
+ATOM    124  CD2 LEU    48     -17.163   3.142  -0.136  1.00  0.00           C  
+ATOM    125  N   GLN    49     -13.612   6.226   0.817  1.00 35.55           N  
+ATOM    126  CA  GLN    49     -12.302   5.848   1.409  1.00 33.09           C  
+ATOM    127  C   GLN    49     -12.530   4.990   2.672  1.00 36.52           C  
+ATOM    128  O   GLN    49     -13.377   5.304   3.514  1.00 34.16           O  
+ATOM    129  CB  GLN    49     -11.502   7.103   1.804  1.00 40.84           C  
+ATOM    130  CG  GLN    49     -11.099   7.990   0.616  1.00  0.00           C  
+ATOM    131  CD  GLN    49      -9.861   7.547  -0.176  1.00  0.00           C  
+ATOM    132  OE1 GLN    49      -8.742   7.595   0.337  1.00  0.00           O  
+ATOM    133  NE2 GLN    49     -10.001   7.114  -1.416  1.00  0.00           N  
+ATOM    134  N   VAL    50     -11.763   3.901   2.805  1.00 32.45           N  
+ATOM    135  CA  VAL    50     -11.918   2.970   3.961  1.00 34.72           C  
+ATOM    136  C   VAL    50     -10.602   2.662   4.617  1.00 34.29           C  
+ATOM    137  O   VAL    50      -9.668   2.159   4.011  1.00 31.05           O  
+ATOM    138  CB  VAL    50     -12.567   1.664   3.484  1.00 29.02           C  
+ATOM    139  CG1 VAL    50     -12.745   0.629   4.597  1.00  0.00           C  
+ATOM    140  CG2 VAL    50     -13.964   1.858   2.891  1.00  0.00           C  
+ATOM    141  N   PRO    51     -10.583   2.969   5.910  1.00 33.32           N  
+ATOM    142  CA  PRO    51      -9.428   2.717   6.757  1.00 32.10           C  
+ATOM    143  C   PRO    51      -9.247   1.219   6.827  1.00 40.78           C  
+ATOM    144  O   PRO    51     -10.219   0.461   6.847  1.00 36.47           O  
+ATOM    145  CB  PRO    51      -9.757   3.272   8.148  1.00 34.58           C  
+ATOM    146  CG  PRO    51     -11.059   4.047   7.999  1.00  0.00           C  
+ATOM    147  CD  PRO    51     -11.630   3.743   6.606  1.00  0.00           C  
+ATOM    148  N   ASP    52      -7.974   0.816   6.832  1.00 34.47           N  
+ATOM    149  CA  ASP    52      -7.563  -0.567   6.835  1.00 33.10           C  
+ATOM    150  C   ASP    52      -7.968  -1.296   8.097  1.00 37.33           C  
+ATOM    151  O   ASP    52      -7.792  -2.516   8.170  1.00 33.51           O  
+ATOM    152  CB  ASP    52      -6.122  -0.810   6.352  1.00 44.18           C  
+ATOM    153  CG  ASP    52      -5.067  -0.358   7.313  1.00  0.00           C  
+ATOM    154  OD1 ASP    52      -5.322   0.289   8.325  1.00  0.00           O  
+ATOM    155  OD2 ASP    52      -3.874  -0.806   6.968  1.00  0.00           O  
+ATOM    156  N   ASP    53      -8.496  -0.502   9.049  1.00 35.64           N  
+ATOM    157  CA  ASP    53      -8.950  -1.108  10.276  1.00 40.82           C  
+ATOM    158  C   ASP    53     -10.437  -1.073  10.422  1.00 45.13           C  
+ATOM    159  O   ASP    53     -10.902  -1.122  11.552  1.00 45.86           O  
+ATOM    160  CB  ASP    53      -8.189  -0.774  11.585  1.00 39.20           C  
+ATOM    161  CG  ASP    53      -8.286   0.649  12.116  1.00  0.00           C  
+ATOM    162  OD1 ASP    53      -8.770   1.567  11.472  1.00  0.00           O  
+ATOM    163  OD2 ASP    53      -7.750   0.814  13.322  1.00  0.00           O  
+ATOM    164  N   VAL    54     -11.192  -0.963   9.338  1.00 30.02           N  
+ATOM    165  CA  VAL    54     -12.661  -0.934   9.487  1.00 23.17           C  
+ATOM    166  C   VAL    54     -13.239  -1.867   8.428  1.00 37.42           C  
+ATOM    167  O   VAL    54     -12.747  -1.940   7.265  1.00 29.14           O  
+ATOM    168  CB  VAL    54     -13.127   0.505   9.240  1.00 35.95           C  
+ATOM    169  CG1 VAL    54     -14.629   0.593   9.090  1.00  0.00           C  
+ATOM    170  CG2 VAL    54     -12.632   1.489  10.315  1.00  0.00           C  
+ATOM    171  N   TYR    55     -14.218  -2.672   8.817  1.00 31.07           N  
+ATOM    172  CA  TYR    55     -14.796  -3.577   7.850  1.00 23.20           C  
+ATOM    173  C   TYR    55     -15.506  -2.777   6.759  1.00 20.53           C  
+ATOM    174  O   TYR    55     -16.134  -1.725   6.975  1.00 22.64           O  
+ATOM    175  CB  TYR    55     -15.820  -4.509   8.520  1.00 24.89           C  
+ATOM    176  CG  TYR    55     -15.302  -5.492   9.574  1.00  0.00           C  
+ATOM    177  CD1 TYR    55     -14.300  -6.422   9.288  1.00  0.00           C  
+ATOM    178  CD2 TYR    55     -15.872  -5.478  10.858  1.00  0.00           C  
+ATOM    179  CE1 TYR    55     -13.893  -7.305  10.283  1.00  0.00           C  
+ATOM    180  CE2 TYR    55     -15.581  -6.440  11.816  1.00  0.00           C  
+ATOM    181  CZ  TYR    55     -14.576  -7.349  11.506  1.00  0.00           C  
+ATOM    182  OH  TYR    55     -14.199  -8.247  12.440  1.00  0.00           O  
+ATOM    183  N   ILE    56     -15.475  -3.357   5.557  1.00 26.63           N  
+ATOM    184  CA  ILE    56     -16.136  -2.806   4.372  1.00 23.62           C  
+ATOM    185  C   ILE    56     -17.599  -2.389   4.678  1.00 27.47           C  
+ATOM    186  O   ILE    56     -18.056  -1.278   4.391  1.00 25.11           O  
+ATOM    187  CB  ILE    56     -15.968  -3.743   3.134  1.00 27.34           C  
+ATOM    188  CG1 ILE    56     -14.467  -3.817   2.827  1.00  0.00           C  
+ATOM    189  CG2 ILE    56     -16.784  -3.276   1.906  1.00  0.00           C  
+ATOM    190  CD1 ILE    56     -14.200  -4.300   1.451  1.00  0.00           C  
+ATOM    191  N   LEU    57     -18.383  -3.310   5.252  1.00 21.68           N  
+ATOM    192  CA  LEU    57     -19.770  -3.015   5.521  1.00 23.19           C  
+ATOM    193  C   LEU    57     -19.971  -1.802   6.390  1.00 19.67           C  
+ATOM    194  O   LEU    57     -20.820  -0.929   6.121  1.00 21.97           O  
+ATOM    195  CB  LEU    57     -20.485  -4.325   6.069  1.00 25.03           C  
+ATOM    196  CG  LEU    57     -21.972  -4.164   6.526  1.00  0.00           C  
+ATOM    197  CD1 LEU    57     -22.982  -3.955   5.361  1.00  0.00           C  
+ATOM    198  CD2 LEU    57     -22.352  -5.324   7.468  1.00  0.00           C  
+ATOM    199  N   ASP    58     -19.234  -1.789   7.533  1.00 21.80           N  
+ATOM    200  CA  ASP    58     -19.337  -0.660   8.493  1.00 24.22           C  
+ATOM    201  C   ASP    58     -19.017   0.682   7.853  1.00 28.12           C  
+ATOM    202  O   ASP    58     -19.741   1.701   7.996  1.00 26.29           O  
+ATOM    203  CB  ASP    58     -18.324  -0.772   9.656  1.00 26.64           C  
+ATOM    204  CG  ASP    58     -18.577  -1.945  10.614  1.00  0.00           C  
+ATOM    205  OD1 ASP    58     -19.339  -2.837  10.364  1.00  0.00           O  
+ATOM    206  OD2 ASP    58     -17.732  -2.063  11.603  1.00  0.00           O  
+ATOM    207  N   PHE    59     -17.904   0.661   7.089  1.00 28.45           N  
+ATOM    208  CA  PHE    59     -17.462   1.882   6.338  1.00 30.31           C  
+ATOM    209  C   PHE    59     -18.547   2.369   5.377  1.00 24.55           C  
+ATOM    210  O   PHE    59     -18.869   3.558   5.342  1.00 26.78           O  
+ATOM    211  CB  PHE    59     -16.117   1.683   5.608  1.00 27.80           C  
+ATOM    212  CG  PHE    59     -15.815   2.945   4.874  1.00  0.00           C  
+ATOM    213  CD1 PHE    59     -15.281   4.080   5.524  1.00  0.00           C  
+ATOM    214  CD2 PHE    59     -16.063   3.028   3.491  1.00  0.00           C  
+ATOM    215  CE1 PHE    59     -14.991   5.280   4.813  1.00  0.00           C  
+ATOM    216  CE2 PHE    59     -15.783   4.218   2.755  1.00  0.00           C  
+ATOM    217  CZ  PHE    59     -15.246   5.350   3.422  1.00  0.00           C  
+ATOM    218  N   ALA    60     -19.119   1.417   4.616  1.00 21.71           N  
+ATOM    219  CA  ALA    60     -20.193   1.769   3.715  1.00 22.96           C  
+ATOM    220  C   ALA    60     -21.399   2.388   4.450  1.00 31.14           C  
+ATOM    221  O   ALA    60     -22.022   3.385   4.025  1.00 29.37           O  
+ATOM    222  CB  ALA    60     -20.673   0.617   2.846  1.00 30.64           C  
+ATOM    223  N   GLU    61     -21.742   1.785   5.605  1.00 32.57           N  
+ATOM    224  CA  GLU    61     -22.877   2.268   6.400  1.00 33.34           C  
+ATOM    225  C   GLU    61     -22.728   3.726   6.797  1.00 23.91           C  
+ATOM    226  O   GLU    61     -23.674   4.505   6.616  1.00 29.83           O  
+ATOM    227  CB  GLU    61     -23.207   1.300   7.582  1.00 25.60           C  
+ATOM    228  CG  GLU    61     -23.911   0.033   7.044  1.00  0.00           C  
+ATOM    229  CD  GLU    61     -23.781  -1.083   8.047  1.00  0.00           C  
+ATOM    230  OE1 GLU    61     -23.004  -1.026   8.991  1.00  0.00           O  
+ATOM    231  OE2 GLU    61     -24.605  -2.060   7.839  1.00  0.00           O  
+ATOM    232  N   GLU    62     -21.528   3.970   7.314  1.00 27.47           N  
+ATOM    233  CA  GLU    62     -21.014   5.283   7.741  1.00 37.83           C  
+ATOM    234  C   GLU    62     -21.129   6.387   6.670  1.00 40.11           C  
+ATOM    235  O   GLU    62     -21.299   7.555   6.966  1.00 39.63           O  
+ATOM    236  CB  GLU    62     -19.560   5.180   8.271  1.00 40.07           C  
+ATOM    237  CG  GLU    62     -19.446   4.385   9.584  1.00  0.00           C  
+ATOM    238  CD  GLU    62     -18.056   4.375  10.148  1.00  0.00           C  
+ATOM    239  OE1 GLU    62     -17.181   5.141   9.785  1.00  0.00           O  
+ATOM    240  OE2 GLU    62     -17.842   3.364  10.955  1.00  0.00           O  
+ATOM    241  N   GLU    63     -20.992   5.997   5.410  1.00 38.32           N  
+ATOM    242  CA  GLU    63     -21.145   6.862   4.270  1.00 35.60           C  
+ATOM    243  C   GLU    63     -22.615   6.982   3.857  1.00 52.16           C  
+ATOM    244  O   GLU    63     -22.944   7.708   2.905  1.00 49.05           O  
+ATOM    245  CB  GLU    63     -20.222   6.365   3.122  1.00 32.36           C  
+ATOM    246  CG  GLU    63     -18.731   6.717   3.387  1.00  0.00           C  
+ATOM    247  CD  GLU    63     -18.462   8.195   3.642  1.00  0.00           C  
+ATOM    248  OE1 GLU    63     -18.962   9.099   2.995  1.00  0.00           O  
+ATOM    249  OE2 GLU    63     -17.734   8.428   4.711  1.00  0.00           O  
+ATOM    250  N   GLY    64     -23.515   6.238   4.543  1.00 36.45           N  
+ATOM    251  CA  GLY    64     -24.937   6.276   4.234  1.00 31.78           C  
+ATOM    252  C   GLY    64     -25.428   5.318   3.194  1.00 31.69           C  
+ATOM    253  O   GLY    64     -26.474   5.537   2.613  1.00 34.57           O  
+ATOM    254  N   ILE    65     -24.672   4.236   2.937  1.00 35.35           N  
+ATOM    255  CA  ILE    65     -25.020   3.224   1.931  1.00 28.42           C  
+ATOM    256  C   ILE    65     -25.813   2.065   2.554  1.00 33.98           C  
+ATOM    257  O   ILE    65     -25.431   1.549   3.591  1.00 32.45           O  
+ATOM    258  CB  ILE    65     -23.776   2.637   1.270  1.00 31.00           C  
+ATOM    259  CG1 ILE    65     -22.844   3.690   0.641  1.00  0.00           C  
+ATOM    260  CG2 ILE    65     -24.064   1.591   0.186  1.00  0.00           C  
+ATOM    261  CD1 ILE    65     -21.696   2.961  -0.087  1.00  0.00           C  
+ATOM    262  N   ASP    66     -26.879   1.605   1.924  1.00 31.29           N  
+ATOM    263  CA  ASP    66     -27.599   0.476   2.492  1.00 34.35           C  
+ATOM    264  C   ASP    66     -27.189  -0.836   1.833  1.00 43.06           C  
+ATOM    265  O   ASP    66     -27.490  -1.069   0.664  1.00 33.14           O  
+ATOM    266  CB  ASP    66     -29.096   0.692   2.264  1.00 38.16           C  
+ATOM    267  CG  ASP    66     -29.945  -0.361   2.900  1.00  0.00           C  
+ATOM    268  OD1 ASP    66     -29.512  -1.345   3.458  1.00  0.00           O  
+ATOM    269  OD2 ASP    66     -31.221  -0.118   2.767  1.00  0.00           O  
+ATOM    270  N   LEU    67     -26.528  -1.709   2.585  1.00 25.84           N  
+ATOM    271  CA  LEU    67     -26.101  -2.999   2.087  1.00 25.49           C  
+ATOM    272  C   LEU    67     -26.839  -4.136   2.844  1.00 30.02           C  
+ATOM    273  O   LEU    67     -27.199  -4.058   4.006  1.00 30.20           O  
+ATOM    274  CB  LEU    67     -24.556  -3.213   2.200  1.00 29.86           C  
+ATOM    275  CG  LEU    67     -23.626  -2.250   1.393  1.00  0.00           C  
+ATOM    276  CD1 LEU    67     -22.147  -2.710   1.553  1.00  0.00           C  
+ATOM    277  CD2 LEU    67     -24.030  -2.293  -0.110  1.00  0.00           C  
+ATOM    278  N   PRO    68     -27.032  -5.236   2.236  1.00 24.98           N  
+ATOM    279  CA  PRO    68     -27.679  -6.294   3.032  1.00 27.92           C  
+ATOM    280  C   PRO    68     -26.756  -6.908   4.106  1.00 34.05           C  
+ATOM    281  O   PRO    68     -25.502  -7.130   3.958  1.00 24.43           O  
+ATOM    282  CB  PRO    68     -27.994  -7.407   2.003  1.00 25.14           C  
+ATOM    283  CG  PRO    68     -27.338  -7.028   0.667  1.00  0.00           C  
+ATOM    284  CD  PRO    68     -26.751  -5.641   0.813  1.00  0.00           C  
+ATOM    285  N   PHE    69     -27.430  -7.343   5.170  1.00 24.54           N  
+ATOM    286  CA  PHE    69     -26.728  -8.106   6.181  1.00 24.90           C  
+ATOM    287  C   PHE    69     -27.730  -8.846   7.079  1.00 44.09           C  
+ATOM    288  O   PHE    69     -28.925  -8.562   7.067  1.00 28.24           O  
+ATOM    289  CB  PHE    69     -25.850  -7.343   7.145  1.00 18.81           C  
+ATOM    290  CG  PHE    69     -26.726  -6.402   7.899  1.00  0.00           C  
+ATOM    291  CD1 PHE    69     -27.310  -6.752   9.136  1.00  0.00           C  
+ATOM    292  CD2 PHE    69     -26.989  -5.121   7.380  1.00  0.00           C  
+ATOM    293  CE1 PHE    69     -28.142  -5.843   9.853  1.00  0.00           C  
+ATOM    294  CE2 PHE    69     -27.819  -4.191   8.077  1.00  0.00           C  
+ATOM    295  CZ  PHE    69     -28.399  -4.557   9.319  1.00  0.00           C  
+ATOM    296  N   SER    70     -27.211  -9.776   7.889  1.00 29.18           N  
+ATOM    297  CA  SER    70     -28.033 -10.456   8.885  1.00 32.26           C  
+ATOM    298  C   SER    70     -27.259 -10.698  10.221  1.00 25.30           C  
+ATOM    299  O   SER    70     -27.485  -9.915  11.172  1.00 25.32           O  
+ATOM    300  CB  SER    70     -28.911 -11.588   8.357  1.00 22.00           C  
+ATOM    301  OG  SER    70     -28.092 -12.695   8.149  1.00  0.00           O  
+ATOM    302  N   CYS    71     -26.378 -11.717  10.225  1.00 23.71           N  
+ATOM    303  CA  CYS    71     -25.645 -12.087  11.433  1.00 26.55           C  
+ATOM    304  C   CYS    71     -24.568 -11.100  11.813  1.00 34.48           C  
+ATOM    305  O   CYS    71     -24.254 -10.962  12.995  1.00 26.18           O  
+ATOM    306  CB  CYS    71     -25.033 -13.523  11.353  1.00 29.83           C  
+ATOM    307  SG  CYS    71     -23.526 -13.614  10.280  1.00  0.00           S  
+ATOM    308  N   ARG    72     -23.947 -10.431  10.795  1.00 24.58           N  
+ATOM    309  CA  ARG    72     -22.834  -9.486  11.103  1.00 28.18           C  
+ATOM    310  C   ARG    72     -21.655 -10.213  11.792  1.00 30.09           C  
+ATOM    311  O   ARG    72     -20.811  -9.542  12.369  1.00 31.35           O  
+ATOM    312  CB  ARG    72     -23.153  -8.125  11.773  1.00 26.06           C  
+ATOM    313  CG  ARG    72     -24.348  -7.401  11.141  1.00  0.00           C  
+ATOM    314  CD  ARG    72     -24.642  -6.052  11.795  1.00  0.00           C  
+ATOM    315  NE  ARG    72     -23.560  -5.037  11.599  1.00  0.00           N  
+ATOM    316  CZ  ARG    72     -23.636  -3.998  10.748  1.00  0.00           C  
+ATOM    317  NH1 ARG    72     -24.713  -3.768   9.982  1.00  0.00           N  
+ATOM    318  NH2 ARG    72     -22.566  -3.215  10.705  1.00  0.00           N  
+ATOM    319  N   ALA    73     -21.578 -11.554  11.755  1.00 30.98           N  
+ATOM    320  CA  ALA    73     -20.464 -12.210  12.466  1.00 35.10           C  
+ATOM    321  C   ALA    73     -19.660 -13.118  11.543  1.00 32.60           C  
+ATOM    322  O   ALA    73     -19.122 -14.084  12.036  1.00 33.61           O  
+ATOM    323  CB  ALA    73     -21.033 -13.071  13.589  1.00 32.00           C  
+ATOM    324  N   GLY    74     -19.736 -12.981  10.191  1.00 37.71           N  
+ATOM    325  CA  GLY    74     -19.004 -13.906   9.270  1.00 32.94           C  
+ATOM    326  C   GLY    74     -19.422 -15.397   9.189  1.00 33.79           C  
+ATOM    327  O   GLY    74     -18.639 -16.320   8.796  1.00 27.19           O  
+ATOM    328  N   SER    75     -20.707 -15.653   9.506  1.00 29.21           N  
+ATOM    329  CA  SER    75     -21.016 -17.016   9.448  1.00 27.72           C  
+ATOM    330  C   SER    75     -22.178 -17.289   8.531  1.00 36.35           C  
+ATOM    331  O   SER    75     -22.744 -18.400   8.571  1.00 37.69           O  
+ATOM    332  CB  SER    75     -21.212 -17.525  10.881  1.00 41.18           C  
+ATOM    333  OG  SER    75     -22.429 -17.029  11.343  1.00  0.00           O  
+ATOM    334  N   CYS    76     -22.557 -16.294   7.716  1.00 24.01           N  
+ATOM    335  CA  CYS    76     -23.696 -16.541   6.850  1.00 26.72           C  
+ATOM    336  C   CYS    76     -23.516 -16.048   5.393  1.00 34.67           C  
+ATOM    337  O   CYS    76     -22.425 -15.554   5.125  1.00 30.25           O  
+ATOM    338  CB  CYS    76     -25.005 -15.993   7.471  1.00 22.69           C  
+ATOM    339  SG  CYS    76     -25.400 -14.288   7.163  1.00  0.00           S  
+ATOM    340  N   SER    77     -24.498 -16.228   4.461  1.00 24.73           N  
+ATOM    341  CA  SER    77     -24.289 -15.776   3.072  1.00 26.39           C  
+ATOM    342  C   SER    77     -24.903 -14.398   2.807  1.00 30.37           C  
+ATOM    343  O   SER    77     -24.853 -13.804   1.726  1.00 28.25           O  
+ATOM    344  CB  SER    77     -24.863 -16.794   2.131  1.00 27.38           C  
+ATOM    345  OG  SER    77     -26.291 -16.816   2.355  1.00  0.00           O  
+ATOM    346  N   SER    78     -25.600 -13.858   3.793  1.00 21.91           N  
+ATOM    347  CA  SER    78     -26.314 -12.643   3.524  1.00 21.12           C  
+ATOM    348  C   SER    78     -25.536 -11.468   2.935  1.00 25.42           C  
+ATOM    349  O   SER    78     -26.158 -10.705   2.211  1.00 26.31           O  
+ATOM    350  CB  SER    78     -27.079 -12.095   4.752  1.00 28.46           C  
+ATOM    351  OG  SER    78     -28.065 -13.043   5.092  1.00  0.00           O  
+ATOM    352  N   CYS    79     -24.354 -11.143   3.448  1.00 21.93           N  
+ATOM    353  CA  CYS    79     -23.663  -9.943   3.015  1.00 21.80           C  
+ATOM    354  C   CYS    79     -22.678 -10.263   1.870  1.00 21.02           C  
+ATOM    355  O   CYS    79     -21.720  -9.516   1.636  1.00 23.37           O  
+ATOM    356  CB  CYS    79     -22.837  -9.425   4.207  1.00 20.46           C  
+ATOM    357  SG  CYS    79     -21.591 -10.618   4.716  1.00  0.00           S  
+ATOM    358  N   ALA    80     -22.865 -11.386   1.239  1.00 23.57           N  
+ATOM    359  CA  ALA    80     -21.901 -11.830   0.165  1.00 27.12           C  
+ATOM    360  C   ALA    80     -21.798 -10.837  -1.012  1.00 23.33           C  
+ATOM    361  O   ALA    80     -22.814 -10.308  -1.554  1.00 22.29           O  
+ATOM    362  CB  ALA    80     -22.156 -13.247  -0.364  1.00 23.21           C  
+ATOM    363  N   GLY    81     -20.570 -10.774  -1.462  1.00 26.74           N  
+ATOM    364  CA  GLY    81     -20.183 -10.028  -2.664  1.00 29.02           C  
+ATOM    365  C   GLY    81     -19.125 -10.885  -3.461  1.00 28.23           C  
+ATOM    366  O   GLY    81     -18.619 -11.962  -3.013  1.00 20.19           O  
+ATOM    367  N   LYS    82     -18.712 -10.331  -4.651  1.00 22.94           N  
+ATOM    368  CA  LYS    82     -17.668 -10.976  -5.533  1.00 21.93           C  
+ATOM    369  C   LYS    82     -16.553  -9.879  -5.741  1.00 27.46           C  
+ATOM    370  O   LYS    82     -16.863  -8.707  -6.139  1.00 22.40           O  
+ATOM    371  CB  LYS    82     -18.260 -11.433  -6.896  1.00 22.08           C  
+ATOM    372  CG  LYS    82     -18.874 -12.827  -6.819  1.00  0.00           C  
+ATOM    373  CD  LYS    82     -17.940 -13.985  -7.183  1.00  0.00           C  
+ATOM    374  CE  LYS    82     -18.430 -14.660  -8.465  1.00  0.00           C  
+ATOM    375  NZ  LYS    82     -17.490 -15.574  -9.137  1.00  0.00           N  
+ATOM    376  N   VAL    83     -15.319 -10.230  -5.336  1.00 23.93           N  
+ATOM    377  CA  VAL    83     -14.157  -9.310  -5.456  1.00 22.04           C  
+ATOM    378  C   VAL    83     -13.729  -9.346  -6.974  1.00 26.89           C  
+ATOM    379  O   VAL    83     -13.474 -10.363  -7.636  1.00 26.02           O  
+ATOM    380  CB  VAL    83     -13.047  -9.897  -4.603  1.00 23.42           C  
+ATOM    381  CG1 VAL    83     -11.741  -9.103  -4.670  1.00  0.00           C  
+ATOM    382  CG2 VAL    83     -13.394  -9.971  -3.114  1.00  0.00           C  
+ATOM    383  N   VAL    84     -13.774  -8.193  -7.565  1.00 24.44           N  
+ATOM    384  CA  VAL    84     -13.410  -8.039  -8.956  1.00 23.16           C  
+ATOM    385  C   VAL    84     -11.916  -7.676  -9.130  1.00 30.50           C  
+ATOM    386  O   VAL    84     -11.156  -8.310  -9.925  1.00 32.15           O  
+ATOM    387  CB  VAL    84     -14.294  -6.952  -9.508  1.00 24.68           C  
+ATOM    388  CG1 VAL    84     -13.973  -6.580 -10.957  1.00  0.00           C  
+ATOM    389  CG2 VAL    84     -15.780  -7.315  -9.508  1.00  0.00           C  
+ATOM    390  N   SER    85     -11.470  -6.753  -8.312  1.00 22.25           N  
+ATOM    391  CA  SER    85     -10.079  -6.276  -8.373  1.00 24.34           C  
+ATOM    392  C   SER    85      -9.497  -5.911  -7.010  1.00 27.89           C  
+ATOM    393  O   SER    85     -10.189  -5.239  -6.240  1.00 28.95           O  
+ATOM    394  CB  SER    85     -10.099  -4.886  -9.090  1.00 31.58           C  
+ATOM    395  OG  SER    85      -8.785  -4.352  -9.157  1.00  0.00           O  
+ATOM    396  N   GLY    86      -8.259  -6.255  -6.719  1.00 23.82           N  
+ATOM    397  CA  GLY    86      -7.698  -5.866  -5.428  1.00 22.96           C  
+ATOM    398  C   GLY    86      -7.480  -7.084  -4.447  1.00 21.97           C  
+ATOM    399  O   GLY    86      -7.692  -8.247  -4.783  1.00 25.52           O  
+ATOM    400  N   SER    87      -7.105  -6.778  -3.195  1.00 25.22           N  
+ATOM    401  CA  SER    87      -6.854  -7.772  -2.174  1.00 28.49           C  
+ATOM    402  C   SER    87      -7.627  -7.411  -0.891  1.00 24.34           C  
+ATOM    403  O   SER    87      -7.856  -6.231  -0.594  1.00 27.68           O  
+ATOM    404  CB  SER    87      -5.373  -7.643  -1.768  1.00 29.79           C  
+ATOM    405  OG  SER    87      -4.542  -7.791  -2.909  1.00  0.00           O  
+ATOM    406  N   VAL    88      -7.983  -8.434  -0.138  1.00 26.66           N  
+ATOM    407  CA  VAL    88      -8.724  -8.280   1.131  1.00 25.62           C  
+ATOM    408  C   VAL    88      -8.162  -9.193   2.211  1.00 30.33           C  
+ATOM    409  O   VAL    88      -7.497 -10.186   1.919  1.00 29.36           O  
+ATOM    410  CB  VAL    88     -10.166  -8.790   0.993  1.00 26.75           C  
+ATOM    411  CG1 VAL    88     -10.993  -8.014  -0.035  1.00  0.00           C  
+ATOM    412  CG2 VAL    88     -10.256 -10.254   0.557  1.00  0.00           C  
+ATOM    413  N   ASP    89      -8.440  -8.850   3.453  1.00 28.09           N  
+ATOM    414  CA  ASP    89      -8.114  -9.738   4.585  1.00 24.87           C  
+ATOM    415  C   ASP    89      -9.458 -10.235   5.132  1.00 23.91           C  
+ATOM    416  O   ASP    89     -10.255  -9.429   5.647  1.00 25.64           O  
+ATOM    417  CB  ASP    89      -7.317  -8.997   5.665  1.00 26.11           C  
+ATOM    418  CG  ASP    89      -6.991  -9.988   6.773  1.00  0.00           C  
+ATOM    419  OD1 ASP    89      -7.448 -11.158   6.672  1.00  0.00           O  
+ATOM    420  OD2 ASP    89      -6.282  -9.588   7.734  1.00  0.00           O  
+ATOM    421  N   GLN    90      -9.677 -11.550   4.978  1.00 27.37           N  
+ATOM    422  CA  GLN    90     -10.946 -12.223   5.383  1.00 31.76           C  
+ATOM    423  C   GLN    90     -10.747 -13.209   6.565  1.00 34.04           C  
+ATOM    424  O   GLN    90     -11.538 -14.124   6.805  1.00 29.19           O  
+ATOM    425  CB  GLN    90     -11.564 -12.962   4.186  1.00 25.80           C  
+ATOM    426  CG  GLN    90     -12.152 -12.005   3.133  1.00  0.00           C  
+ATOM    427  CD  GLN    90     -13.189 -12.662   2.211  1.00  0.00           C  
+ATOM    428  OE1 GLN    90     -12.851 -13.089   1.104  1.00  0.00           O  
+ATOM    429  NE2 GLN    90     -14.446 -12.772   2.602  1.00  0.00           N  
+ATOM    430  N   SER    91      -9.675 -13.027   7.334  1.00 36.72           N  
+ATOM    431  CA  SER    91      -9.405 -13.925   8.467  1.00 38.66           C  
+ATOM    432  C   SER    91     -10.556 -14.079   9.440  1.00 35.94           C  
+ATOM    433  O   SER    91     -10.707 -15.145  10.030  1.00 39.04           O  
+ATOM    434  CB  SER    91      -8.284 -13.306   9.314  1.00 42.70           C  
+ATOM    435  OG  SER    91      -7.075 -13.268   8.570  1.00  0.00           O  
+ATOM    436  N   ASP    92     -11.283 -12.986   9.702  1.00 24.98           N  
+ATOM    437  CA  ASP    92     -12.367 -13.065  10.654  1.00 24.28           C  
+ATOM    438  C   ASP    92     -13.575 -13.797  10.092  1.00 40.65           C  
+ATOM    439  O   ASP    92     -14.549 -13.895  10.808  1.00 43.03           O  
+ATOM    440  CB  ASP    92     -12.832 -11.651  11.006  1.00 27.18           C  
+ATOM    441  CG  ASP    92     -11.746 -10.982  11.797  1.00  0.00           C  
+ATOM    442  OD1 ASP    92     -10.770 -11.597  12.191  1.00  0.00           O  
+ATOM    443  OD2 ASP    92     -11.928  -9.691  11.997  1.00  0.00           O  
+ATOM    444  N   GLN    93     -13.649 -14.195   8.825  1.00 27.55           N  
+ATOM    445  CA  GLN    93     -14.875 -14.847   8.391  1.00 30.08           C  
+ATOM    446  C   GLN    93     -14.807 -16.390   8.620  1.00 40.72           C  
+ATOM    447  O   GLN    93     -13.723 -16.968   8.618  1.00 34.19           O  
+ATOM    448  CB  GLN    93     -15.065 -14.525   6.920  1.00 33.63           C  
+ATOM    449  CG  GLN    93     -14.258 -15.430   5.957  1.00  0.00           C  
+ATOM    450  CD  GLN    93     -14.908 -16.761   5.699  1.00  0.00           C  
+ATOM    451  OE1 GLN    93     -16.123 -16.842   5.589  1.00  0.00           O  
+ATOM    452  NE2 GLN    93     -14.107 -17.771   5.333  1.00  0.00           N  
+ATOM    453  N   SER    94     -15.909 -17.144   8.777  1.00 27.75           N  
+ATOM    454  CA  SER    94     -15.765 -18.612   8.965  1.00 30.90           C  
+ATOM    455  C   SER    94     -16.652 -19.471   8.109  1.00 36.75           C  
+ATOM    456  O   SER    94     -16.719 -20.668   8.233  1.00 52.66           O  
+ATOM    457  CB  SER    94     -16.056 -19.074  10.405  1.00 35.95           C  
+ATOM    458  OG  SER    94     -17.270 -18.494  10.860  1.00  0.00           O  
+ATOM    459  N   PHE    95     -17.426 -18.874   7.271  1.00 29.60           N  
+ATOM    460  CA  PHE    95     -18.360 -19.624   6.473  1.00 27.99           C  
+ATOM    461  C   PHE    95     -17.817 -20.121   5.130  1.00 31.11           C  
+ATOM    462  O   PHE    95     -18.135 -21.203   4.740  1.00 27.26           O  
+ATOM    463  CB  PHE    95     -19.578 -18.667   6.343  1.00 25.49           C  
+ATOM    464  CG  PHE    95     -20.621 -19.156   5.389  1.00  0.00           C  
+ATOM    465  CD1 PHE    95     -21.538 -20.126   5.792  1.00  0.00           C  
+ATOM    466  CD2 PHE    95     -20.701 -18.670   4.080  1.00  0.00           C  
+ATOM    467  CE1 PHE    95     -22.570 -20.540   4.945  1.00  0.00           C  
+ATOM    468  CE2 PHE    95     -21.716 -19.092   3.222  1.00  0.00           C  
+ATOM    469  CZ  PHE    95     -22.659 -20.039   3.644  1.00  0.00           C  
+ATOM    470  N   LEU    96     -17.089 -19.324   4.333  1.00 25.68           N  
+ATOM    471  CA  LEU    96     -16.677 -19.785   3.002  1.00 24.82           C  
+ATOM    472  C   LEU    96     -15.522 -20.764   3.135  1.00 26.70           C  
+ATOM    473  O   LEU    96     -14.668 -20.564   4.004  1.00 31.40           O  
+ATOM    474  CB  LEU    96     -16.102 -18.569   2.175  1.00 22.47           C  
+ATOM    475  CG  LEU    96     -17.100 -17.399   1.968  1.00  0.00           C  
+ATOM    476  CD1 LEU    96     -16.418 -16.171   1.326  1.00  0.00           C  
+ATOM    477  CD2 LEU    96     -18.378 -17.777   1.159  1.00  0.00           C  
+ATOM    478  N   ASN    97     -15.473 -21.736   2.237  1.00 28.62           N  
+ATOM    479  CA  ASN    97     -14.350 -22.677   2.128  1.00 34.60           C  
+ATOM    480  C   ASN    97     -13.193 -22.045   1.264  1.00 41.36           C  
+ATOM    481  O   ASN    97     -13.412 -21.031   0.575  1.00 26.86           O  
+ATOM    482  CB  ASN    97     -14.851 -24.080   1.684  1.00 31.77           C  
+ATOM    483  CG  ASN    97     -15.649 -24.680   2.833  1.00  0.00           C  
+ATOM    484  OD1 ASN    97     -15.452 -24.324   3.993  1.00  0.00           O  
+ATOM    485  ND2 ASN    97     -16.592 -25.624   2.572  1.00  0.00           N  
+ATOM    486  N   ASP    98     -11.969 -22.605   1.316  1.00 31.65           N  
+ATOM    487  CA  ASP    98     -10.842 -22.063   0.569  1.00 33.85           C  
+ATOM    488  C   ASP    98     -11.154 -21.905  -0.907  1.00 38.51           C  
+ATOM    489  O   ASP    98     -10.721 -20.948  -1.556  1.00 38.50           O  
+ATOM    490  CB  ASP    98      -9.471 -22.759   0.843  1.00 35.51           C  
+ATOM    491  CG  ASP    98      -8.920 -22.365   2.196  1.00  0.00           C  
+ATOM    492  OD1 ASP    98      -8.826 -21.193   2.559  1.00  0.00           O  
+ATOM    493  OD2 ASP    98      -8.704 -23.391   2.998  1.00  0.00           O  
+ATOM    494  N   ASN    99     -11.943 -22.853  -1.415  1.00 33.26           N  
+ATOM    495  CA  ASN    99     -12.350 -22.857  -2.816  1.00 33.10           C  
+ATOM    496  C   ASN    99     -13.222 -21.680  -3.175  1.00 45.29           C  
+ATOM    497  O   ASN    99     -13.035 -21.040  -4.219  1.00 34.92           O  
+ATOM    498  CB  ASN    99     -13.120 -24.092  -3.193  1.00 31.04           C  
+ATOM    499  CG  ASN    99     -12.142 -25.257  -3.249  1.00  0.00           C  
+ATOM    500  OD1 ASN    99     -10.935 -25.065  -3.389  1.00  0.00           O  
+ATOM    501  ND2 ASN    99     -12.610 -26.529  -3.140  1.00  0.00           N  
+ATOM    502  N   GLN   100     -14.167 -21.418  -2.325  1.00 38.59           N  
+ATOM    503  CA  GLN   100     -15.077 -20.317  -2.559  1.00 32.76           C  
+ATOM    504  C   GLN   100     -14.286 -18.999  -2.569  1.00 26.08           C  
+ATOM    505  O   GLN   100     -14.517 -18.124  -3.416  1.00 30.32           O  
+ATOM    506  CB  GLN   100     -16.157 -20.313  -1.497  1.00 22.57           C  
+ATOM    507  CG  GLN   100     -17.252 -21.341  -1.789  1.00  0.00           C  
+ATOM    508  CD  GLN   100     -18.228 -21.536  -0.632  1.00  0.00           C  
+ATOM    509  OE1 GLN   100     -17.813 -21.564   0.524  1.00  0.00           O  
+ATOM    510  NE2 GLN   100     -19.517 -21.676  -0.879  1.00  0.00           N  
+ATOM    511  N   VAL   101     -13.358 -18.895  -1.627  1.00 25.11           N  
+ATOM    512  CA  VAL   101     -12.491 -17.706  -1.499  1.00 27.87           C  
+ATOM    513  C   VAL   101     -11.690 -17.519  -2.785  1.00 34.66           C  
+ATOM    514  O   VAL   101     -11.596 -16.407  -3.325  1.00 29.47           O  
+ATOM    515  CB  VAL   101     -11.512 -17.875  -0.334  1.00 32.70           C  
+ATOM    516  CG1 VAL   101     -10.454 -16.772  -0.261  1.00  0.00           C  
+ATOM    517  CG2 VAL   101     -12.189 -17.870   1.038  1.00  0.00           C  
+ATOM    518  N   ALA   102     -11.143 -18.630  -3.223  1.00 31.86           N  
+ATOM    519  CA  ALA   102     -10.358 -18.708  -4.456  1.00 38.31           C  
+ATOM    520  C   ALA   102     -11.218 -18.217  -5.652  1.00 40.55           C  
+ATOM    521  O   ALA   102     -10.722 -17.536  -6.569  1.00 48.39           O  
+ATOM    522  CB  ALA   102      -9.944 -20.170  -4.687  1.00 52.17           C  
+ATOM    523  N   ASP   103     -12.513 -18.585  -5.608  1.00 34.13           N  
+ATOM    524  CA  ASP   103     -13.515 -18.229  -6.660  1.00 34.15           C  
+ATOM    525  C   ASP   103     -13.753 -16.709  -6.674  1.00 30.41           C  
+ATOM    526  O   ASP   103     -14.238 -16.146  -7.670  1.00 35.23           O  
+ATOM    527  CB  ASP   103     -14.866 -18.945  -6.419  1.00 41.29           C  
+ATOM    528  CG  ASP   103     -14.684 -20.418  -6.756  1.00  0.00           C  
+ATOM    529  OD1 ASP   103     -13.643 -20.758  -7.379  1.00  0.00           O  
+ATOM    530  OD2 ASP   103     -15.583 -21.223  -6.394  1.00  0.00           O  
+ATOM    531  N   GLY   104     -13.409 -16.094  -5.549  1.00 27.79           N  
+ATOM    532  CA  GLY   104     -13.479 -14.630  -5.377  1.00 32.80           C  
+ATOM    533  C   GLY   104     -14.663 -14.182  -4.491  1.00 32.09           C  
+ATOM    534  O   GLY   104     -15.029 -12.997  -4.455  1.00 25.25           O  
+ATOM    535  N   TRP   105     -15.261 -15.118  -3.771  1.00 22.23           N  
+ATOM    536  CA  TRP   105     -16.403 -14.789  -2.891  1.00 21.49           C  
+ATOM    537  C   TRP   105     -15.904 -14.017  -1.664  1.00 26.19           C  
+ATOM    538  O   TRP   105     -14.828 -14.313  -1.161  1.00 26.06           O  
+ATOM    539  CB  TRP   105     -17.147 -16.054  -2.461  1.00 23.52           C  
+ATOM    540  CG  TRP   105     -17.991 -16.652  -3.593  1.00  0.00           C  
+ATOM    541  CD1 TRP   105     -17.680 -17.713  -4.339  1.00  0.00           C  
+ATOM    542  CD2 TRP   105     -19.256 -16.159  -4.039  1.00  0.00           C  
+ATOM    543  NE1 TRP   105     -18.744 -17.903  -5.272  1.00  0.00           N  
+ATOM    544  CE2 TRP   105     -19.656 -16.983  -5.083  1.00  0.00           C  
+ATOM    545  CE3 TRP   105     -20.090 -15.097  -3.658  1.00  0.00           C  
+ATOM    546  CZ2 TRP   105     -20.854 -16.812  -5.788  1.00  0.00           C  
+ATOM    547  CZ3 TRP   105     -21.299 -14.933  -4.372  1.00  0.00           C  
+ATOM    548  CH2 TRP   105     -21.661 -15.750  -5.388  1.00  0.00           C  
+ATOM    549  N   VAL   106     -16.691 -13.028  -1.141  1.00 23.35           N  
+ATOM    550  CA  VAL   106     -16.310 -12.218   0.023  1.00 26.91           C  
+ATOM    551  C   VAL   106     -17.526 -12.029   0.935  1.00 21.84           C  
+ATOM    552  O   VAL   106     -18.635 -11.800   0.417  1.00 22.56           O  
+ATOM    553  CB  VAL   106     -16.024 -10.725  -0.391  1.00 34.43           C  
+ATOM    554  CG1 VAL   106     -15.424  -9.913   0.766  1.00  0.00           C  
+ATOM    555  CG2 VAL   106     -15.182 -10.594  -1.638  1.00  0.00           C  
+ATOM    556  N   LEU   107     -17.253 -12.005   2.230  1.00 23.50           N  
+ATOM    557  CA  LEU   107     -18.305 -11.641   3.225  1.00 25.89           C  
+ATOM    558  C   LEU   107     -17.999 -10.235   3.705  1.00 21.88           C  
+ATOM    559  O   LEU   107     -17.001  -9.969   4.439  1.00 24.28           O  
+ATOM    560  CB  LEU   107     -18.445 -12.672   4.384  1.00 24.52           C  
+ATOM    561  CG  LEU   107     -18.823 -14.103   3.941  1.00  0.00           C  
+ATOM    562  CD1 LEU   107     -18.931 -15.080   5.165  1.00  0.00           C  
+ATOM    563  CD2 LEU   107     -20.109 -14.101   3.119  1.00  0.00           C  
+ATOM    564  N   THR   108     -18.811  -9.279   3.220  1.00 20.95           N  
+ATOM    565  CA  THR   108     -18.529  -7.895   3.471  1.00 22.14           C  
+ATOM    566  C   THR   108     -18.574  -7.458   4.965  1.00 25.69           C  
+ATOM    567  O   THR   108     -17.925  -6.488   5.312  1.00 20.55           O  
+ATOM    568  CB  THR   108     -19.322  -6.933   2.551  1.00 29.14           C  
+ATOM    569  OG1 THR   108     -20.673  -7.017   2.896  1.00  0.00           O  
+ATOM    570  CG2 THR   108     -19.089  -7.194   1.032  1.00  0.00           C  
+ATOM    571  N   CYS   109     -19.274  -8.226   5.843  1.00 19.42           N  
+ATOM    572  CA  CYS   109     -19.257  -7.778   7.228  1.00 23.31           C  
+ATOM    573  C   CYS   109     -17.965  -8.124   7.927  1.00 23.91           C  
+ATOM    574  O   CYS   109     -17.765  -7.773   9.093  1.00 27.19           O  
+ATOM    575  CB  CYS   109     -20.436  -8.481   7.974  1.00 26.08           C  
+ATOM    576  SG  CYS   109     -20.282 -10.289   8.189  1.00  0.00           S  
+ATOM    577  N   ALA   110     -17.129  -8.926   7.283  1.00 20.23           N  
+ATOM    578  CA  ALA   110     -15.906  -9.404   7.966  1.00 26.31           C  
+ATOM    579  C   ALA   110     -14.597  -9.256   7.191  1.00 36.64           C  
+ATOM    580  O   ALA   110     -13.620  -9.975   7.436  1.00 30.28           O  
+ATOM    581  CB  ALA   110     -16.056 -10.888   8.310  1.00 24.52           C  
+ATOM    582  N   ALA   111     -14.621  -8.334   6.223  1.00 29.72           N  
+ATOM    583  CA  ALA   111     -13.486  -8.138   5.323  1.00 32.19           C  
+ATOM    584  C   ALA   111     -12.847  -6.776   5.467  1.00 25.32           C  
+ATOM    585  O   ALA   111     -13.571  -5.761   5.493  1.00 24.70           O  
+ATOM    586  CB  ALA   111     -13.909  -8.486   3.842  1.00 25.97           C  
+ATOM    587  N   TYR   112     -11.508  -6.764   5.597  1.00 25.90           N  
+ATOM    588  CA  TYR   112     -10.724  -5.517   5.592  1.00 24.76           C  
+ATOM    589  C   TYR   112     -10.027  -5.381   4.219  1.00 24.61           C  
+ATOM    590  O   TYR   112      -9.522  -6.365   3.646  1.00 25.82           O  
+ATOM    591  CB  TYR   112      -9.624  -5.295   6.653  1.00 26.45           C  
+ATOM    592  CG  TYR   112     -10.115  -5.369   8.086  1.00  0.00           C  
+ATOM    593  CD1 TYR   112     -10.805  -4.325   8.716  1.00  0.00           C  
+ATOM    594  CD2 TYR   112      -9.867  -6.551   8.790  1.00  0.00           C  
+ATOM    595  CE1 TYR   112     -11.270  -4.470  10.029  1.00  0.00           C  
+ATOM    596  CE2 TYR   112     -10.269  -6.698  10.118  1.00  0.00           C  
+ATOM    597  CZ  TYR   112     -10.945  -5.641  10.721  1.00  0.00           C  
+ATOM    598  OH  TYR   112     -11.361  -5.851  11.995  1.00  0.00           O  
+ATOM    599  N   PRO   113     -10.025  -4.154   3.683  1.00 27.26           N  
+ATOM    600  CA  PRO   113      -9.329  -3.937   2.392  1.00 29.66           C  
+ATOM    601  C   PRO   113      -7.821  -3.861   2.632  1.00 31.14           C  
+ATOM    602  O   PRO   113      -7.434  -3.291   3.673  1.00 29.26           O  
+ATOM    603  CB  PRO   113      -9.736  -2.521   1.950  1.00 28.79           C  
+ATOM    604  CG  PRO   113     -10.267  -1.796   3.192  1.00  0.00           C  
+ATOM    605  CD  PRO   113     -10.581  -2.879   4.219  1.00  0.00           C  
+ATOM    606  N   THR   114      -6.999  -4.483   1.774  1.00 27.18           N  
+ATOM    607  CA  THR   114      -5.550  -4.317   1.963  1.00 35.74           C  
+ATOM    608  C   THR   114      -4.919  -3.430   0.854  1.00 42.39           C  
+ATOM    609  O   THR   114      -3.721  -3.151   0.780  1.00 34.16           O  
+ATOM    610  CB  THR   114      -4.741  -5.584   2.330  1.00 36.83           C  
+ATOM    611  OG1 THR   114      -4.881  -6.565   1.313  1.00  0.00           O  
+ATOM    612  CG2 THR   114      -5.261  -6.152   3.662  1.00  0.00           C  
+ATOM    613  N   SER   115      -5.766  -3.004  -0.058  1.00 36.29           N  
+ATOM    614  CA  SER   115      -5.435  -2.189  -1.212  1.00 34.79           C  
+ATOM    615  C   SER   115      -6.737  -1.624  -1.712  1.00 35.38           C  
+ATOM    616  O   SER   115      -7.810  -1.891  -1.153  1.00 27.25           O  
+ATOM    617  CB  SER   115      -4.925  -3.029  -2.395  1.00 30.61           C  
+ATOM    618  OG  SER   115      -5.933  -3.794  -3.112  1.00  0.00           O  
+ATOM    619  N   ASP   116      -6.632  -0.856  -2.790  1.00 26.06           N  
+ATOM    620  CA  ASP   116      -7.856  -0.393  -3.364  1.00 30.29           C  
+ATOM    621  C   ASP   116      -8.628  -1.596  -3.883  1.00 30.65           C  
+ATOM    622  O   ASP   116      -8.024  -2.539  -4.385  1.00 31.40           O  
+ATOM    623  CB  ASP   116      -7.591   0.542  -4.515  1.00 29.55           C  
+ATOM    624  CG  ASP   116      -7.043   1.841  -4.014  1.00  0.00           C  
+ATOM    625  OD1 ASP   116      -6.993   2.311  -2.852  1.00  0.00           O  
+ATOM    626  OD2 ASP   116      -6.622   2.423  -5.077  1.00  0.00           O  
+ATOM    627  N   VAL   117      -9.959  -1.586  -3.838  1.00 22.99           N  
+ATOM    628  CA  VAL   117     -10.670  -2.752  -4.350  1.00 20.82           C  
+ATOM    629  C   VAL   117     -12.027  -2.388  -5.004  1.00 24.03           C  
+ATOM    630  O   VAL   117     -12.654  -1.327  -4.679  1.00 27.17           O  
+ATOM    631  CB  VAL   117     -10.997  -3.756  -3.209  1.00 28.89           C  
+ATOM    632  CG1 VAL   117      -9.779  -4.404  -2.556  1.00  0.00           C  
+ATOM    633  CG2 VAL   117     -11.935  -3.063  -2.168  1.00  0.00           C  
+ATOM    634  N   VAL   118     -12.397  -3.279  -5.963  1.00 20.22           N  
+ATOM    635  CA  VAL   118     -13.675  -3.226  -6.574  1.00 21.23           C  
+ATOM    636  C   VAL   118     -14.469  -4.492  -6.195  1.00 25.70           C  
+ATOM    637  O   VAL   118     -13.998  -5.619  -6.366  1.00 22.59           O  
+ATOM    638  CB  VAL   118     -13.605  -3.101  -8.072  1.00 23.30           C  
+ATOM    639  CG1 VAL   118     -14.977  -3.091  -8.748  1.00  0.00           C  
+ATOM    640  CG2 VAL   118     -12.917  -1.819  -8.546  1.00  0.00           C  
+ATOM    641  N   ILE   119     -15.680  -4.297  -5.672  1.00 22.97           N  
+ATOM    642  CA  ILE   119     -16.529  -5.431  -5.229  1.00 23.87           C  
+ATOM    643  C   ILE   119     -17.976  -5.313  -5.746  1.00 19.36           C  
+ATOM    644  O   ILE   119     -18.606  -4.261  -5.648  1.00 24.47           O  
+ATOM    645  CB  ILE   119     -16.609  -5.457  -3.694  1.00 21.55           C  
+ATOM    646  CG1 ILE   119     -15.271  -5.808  -3.040  1.00  0.00           C  
+ATOM    647  CG2 ILE   119     -17.627  -6.473  -3.172  1.00  0.00           C  
+ATOM    648  CD1 ILE   119     -15.241  -5.555  -1.531  1.00  0.00           C  
+ATOM    649  N   GLU   120     -18.499  -6.407  -6.311  1.00 21.01           N  
+ATOM    650  CA  GLU   120     -19.926  -6.451  -6.732  1.00 22.22           C  
+ATOM    651  C   GLU   120     -20.738  -6.918  -5.515  1.00 27.78           C  
+ATOM    652  O   GLU   120     -20.467  -7.985  -4.957  1.00 24.12           O  
+ATOM    653  CB  GLU   120     -20.163  -7.453  -7.876  1.00 28.56           C  
+ATOM    654  CG  GLU   120     -19.280  -7.223  -9.100  1.00  0.00           C  
+ATOM    655  CD  GLU   120     -19.754  -7.984 -10.346  1.00  0.00           C  
+ATOM    656  OE1 GLU   120     -20.703  -8.853 -10.257  1.00  0.00           O  
+ATOM    657  OE2 GLU   120     -19.199  -7.748 -11.486  1.00  0.00           O  
+ATOM    658  N   THR   121     -21.717  -6.119  -5.105  1.00 21.38           N  
+ATOM    659  CA  THR   121     -22.535  -6.428  -3.894  1.00 25.41           C  
+ATOM    660  C   THR   121     -23.869  -7.143  -4.261  1.00 30.23           C  
+ATOM    661  O   THR   121     -24.171  -7.380  -5.433  1.00 22.22           O  
+ATOM    662  CB  THR   121     -22.847  -5.130  -3.133  1.00 24.95           C  
+ATOM    663  OG1 THR   121     -23.611  -4.254  -3.952  1.00  0.00           O  
+ATOM    664  CG2 THR   121     -21.590  -4.364  -2.692  1.00  0.00           C  
+ATOM    665  N   HIS   122     -24.653  -7.487  -3.220  1.00 29.25           N  
+ATOM    666  CA  HIS   122     -25.987  -8.170  -3.361  1.00 30.89           C  
+ATOM    667  C   HIS   122     -25.864  -9.444  -4.237  1.00 19.65           C  
+ATOM    668  O   HIS   122     -26.533  -9.576  -5.273  1.00 24.29           O  
+ATOM    669  CB  HIS   122     -26.993  -7.251  -4.067  1.00 23.67           C  
+ATOM    670  CG  HIS   122     -27.290  -5.960  -3.301  1.00  0.00           C  
+ATOM    671  ND1 HIS   122     -26.317  -4.989  -3.088  1.00  0.00           N  
+ATOM    672  CD2 HIS   122     -28.426  -5.495  -2.717  1.00  0.00           C  
+ATOM    673  CE1 HIS   122     -26.867  -3.999  -2.407  1.00  0.00           C  
+ATOM    674  NE2 HIS   122     -28.124  -4.285  -2.177  1.00  0.00           N  
+ATOM    675  N   LYS   123     -25.020 -10.384  -3.809  1.00 21.85           N  
+ATOM    676  CA  LYS   123     -24.757 -11.626  -4.588  1.00 24.48           C  
+ATOM    677  C   LYS   123     -25.149 -12.911  -3.836  1.00 22.53           C  
+ATOM    678  O   LYS   123     -24.861 -14.030  -4.288  1.00 24.20           O  
+ATOM    679  CB  LYS   123     -23.263 -11.757  -4.891  1.00 24.74           C  
+ATOM    680  CG  LYS   123     -22.792 -10.818  -5.999  1.00  0.00           C  
+ATOM    681  CD  LYS   123     -23.366 -11.177  -7.369  1.00  0.00           C  
+ATOM    682  CE  LYS   123     -22.972 -10.180  -8.460  1.00  0.00           C  
+ATOM    683  NZ  LYS   123     -23.086 -10.737  -9.815  1.00  0.00           N  
+ATOM    684  N   GLU   124     -25.802 -12.733  -2.710  1.00 29.41           N  
+ATOM    685  CA  GLU   124     -26.212 -13.854  -1.841  1.00 29.57           C  
+ATOM    686  C   GLU   124     -26.938 -14.962  -2.617  1.00 31.36           C  
+ATOM    687  O   GLU   124     -26.714 -16.159  -2.390  1.00 30.72           O  
+ATOM    688  CB  GLU   124     -27.178 -13.365  -0.760  1.00 28.26           C  
+ATOM    689  CG  GLU   124     -27.602 -14.461   0.219  1.00  0.00           C  
+ATOM    690  CD  GLU   124     -28.504 -13.829   1.271  1.00  0.00           C  
+ATOM    691  OE1 GLU   124     -28.724 -12.591   1.193  1.00  0.00           O  
+ATOM    692  OE2 GLU   124     -28.983 -14.575   2.165  1.00  0.00           O  
+ATOM    693  N   ASP   125     -27.787 -14.535  -3.515  1.00 25.37           N  
+ATOM    694  CA  ASP   125     -28.649 -15.438  -4.283  1.00 33.41           C  
+ATOM    695  C   ASP   125     -27.873 -16.180  -5.410  1.00 34.04           C  
+ATOM    696  O   ASP   125     -28.403 -17.079  -6.077  1.00 37.10           O  
+ATOM    697  CB  ASP   125     -29.809 -14.610  -4.854  1.00 36.08           C  
+ATOM    698  CG  ASP   125     -30.731 -14.236  -3.701  1.00  0.00           C  
+ATOM    699  OD1 ASP   125     -30.593 -14.849  -2.610  1.00  0.00           O  
+ATOM    700  OD2 ASP   125     -31.586 -13.331  -3.898  1.00  0.00           O  
+ATOM    701  N   ASP   126     -26.613 -15.829  -5.619  1.00 33.03           N  
+ATOM    702  CA  ASP   126     -25.809 -16.452  -6.698  1.00 33.87           C  
+ATOM    703  C   ASP   126     -24.760 -17.416  -6.149  1.00 30.08           C  
+ATOM    704  O   ASP   126     -24.088 -18.134  -6.904  1.00 29.33           O  
+ATOM    705  CB  ASP   126     -25.056 -15.387  -7.485  1.00 36.71           C  
+ATOM    706  CG  ASP   126     -26.081 -14.462  -8.123  1.00  0.00           C  
+ATOM    707  OD1 ASP   126     -27.034 -14.984  -8.761  1.00  0.00           O  
+ATOM    708  OD2 ASP   126     -25.925 -13.219  -7.982  1.00  0.00           O  
+ATOM    709  N   LEU   127     -24.646 -17.412  -4.855  1.00 26.01           N  
+ATOM    710  CA  LEU   127     -23.658 -18.227  -4.164  1.00 26.71           C  
+ATOM    711  C   LEU   127     -23.932 -19.753  -4.335  1.00 33.16           C  
+ATOM    712  O   LEU   127     -25.074 -20.265  -4.222  1.00 28.74           O  
+ATOM    713  CB  LEU   127     -23.683 -17.907  -2.667  1.00 24.05           C  
+ATOM    714  CG  LEU   127     -22.624 -18.668  -1.869  1.00  0.00           C  
+ATOM    715  CD1 LEU   127     -21.204 -18.155  -2.118  1.00  0.00           C  
+ATOM    716  CD2 LEU   127     -22.837 -18.581  -0.356  1.00  0.00           C  

diff --git a/src/jalview/ws/phyre2/Phyre2Client.java b/src/jalview/ws/phyre2/Phyre2Client.java
index cea4a64..e4f67bb 100644 (file)
--- a/src/jalview/ws/phyre2/Phyre2Client.java
+++ b/src/jalview/ws/phyre2/Phyre2Client.java
@@ -173,6 +173,11 @@ public class Phyre2Client extends StructureMappingClient
     return fastaMappingFile;
   }
 
+  void setFastaMappingFile(String fastaMappingFile)
+  {
+    this.fastaMappingFile = fastaMappingFile;
+  }
+
   @Override
   public StringBuffer getMappingOutput(MappingOutputModel mp)
           throws StructureMappingException

diff --git a/test/jalview/ws/phyre2/Phyre2ClientTest.java b/test/jalview/ws/phyre2/Phyre2ClientTest.java
index 811ddd0..1e9cf70 100644 (file)
--- a/test/jalview/ws/phyre2/Phyre2ClientTest.java
+++ b/test/jalview/ws/phyre2/Phyre2ClientTest.java
@@ -23,7 +23,8 @@ public class Phyre2ClientTest
   @Test(groups = { "Functional" })
   public void getPhyre2FastaMappingTest()
   {
-    String phyre2ModelFile = "examples/testdata/phyre2results/56da5616b4559c93/c4n58A_.pdb";
+    String phyre2ModelFile = "examples/testdata/phyre2results/56da5616b4559c93/c4n58A_.1.pdb";
+    String fastaMappingFile = "examples/testdata/phyre2results/56da5616b4559c93/c4n58A_.1.fasta";
 
     SequenceI testSeq = new Sequence(
             "FER_CAPAN",
@@ -186,6 +187,7 @@ public class Phyre2ClientTest
     {
       structureFile = new JmolParser(phyre2ModelFile, DataSourceType.FILE);
       phyre2Client = new Phyre2Client(structureFile);
+      phyre2Client.setFastaMappingFile(fastaMappingFile);
     } catch (IOException e1)
     {
       e1.printStackTrace();
@@ -212,6 +214,7 @@ public class Phyre2ClientTest
   public void getPhyre2FastaMappingTest2()
   {
     String phyre2ModelFile = "examples/testdata/phyre2results/56da5616b4559c93/d1a70a_.pdb";
+    String fastaMappingFile = "examples/testdata/phyre2results/56da5616b4559c93/d1a70a_.fasta";
 
     SequenceI testSeq = new Sequence(
             "FER_CAPAN",
@@ -354,6 +357,7 @@ public class Phyre2ClientTest
     {
       structureFile = new JmolParser(phyre2ModelFile, DataSourceType.FILE);
       phyre2Client = new Phyre2Client(structureFile);
+      phyre2Client.setFastaMappingFile(fastaMappingFile);
     } catch (IOException e1)
     {
       e1.printStackTrace();
@@ -388,6 +392,10 @@ public class Phyre2ClientTest
     // Test entry set
     for (int key : expectedMapping.keySet())
     {
+      System.out.println(key + " ---> [" + expectedMapping.get(key)[0]
+              + ", " + expectedMapping.get(key)[1] + "] = ["
+              + actualMapping.get(key)[0] + ", "
+              + actualMapping.get(key)[1] + "]");
       Assert.assertTrue(Arrays.equals(expectedMapping.get(key),
               actualMapping.get(key)));
     }