USER  MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=21
USER  MOD reduce.3.24.130724 removed 485 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  44 SER OG  :   rot  -93:sc=   0.329
USER  MOD Set 1.2: A  84 THR OG1 :   rot  180:sc=   0.314
USER  MOD Single : A  25 MET CE  :methyl  179:sc=  -0.627   (180deg=-0.636)
USER  MOD Single : A  26 LYS NZ  :NH3+    156:sc=  -0.458   (180deg=-1.46!)
USER  MOD Single : A  27 LYS NZ  :NH3+    169:sc=   0.476   (180deg=0.428)
USER  MOD Single : A  28 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  32 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  35 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  37 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  38 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  39 LYS NZ  :NH3+   -124:sc=   0.531   (180deg=0.047)
USER  MOD Single : A  42 THR OG1 :   rot  -98:sc=   0.675
USER  MOD Single : A  45 THR OG1 :   rot   76:sc=   0.594
USER  MOD Single : A  46 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  49 MET CE  :methyl -127:sc=       0   (180deg=-0.847)
USER  MOD Single : A  50 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  60 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  61 LYS NZ  :NH3+    177:sc=    0.54   (180deg=0.535)
USER  MOD Single : A  65 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  73 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  88 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  89 LYS NZ  :NH3+    148:sc=    1.35   (180deg=0.526)
USER  MOD Single : A  90 LYS NZ  :NH3+   -114:sc=   0.232   (180deg=-0.225)
USER  MOD Single : A  91 LYS NZ  :NH3+   -168:sc= -0.0254   (180deg=-0.182)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   ALA A  22       0.225   3.345   7.394  1.00 45.41           N
ATOM      2  CA  ALA A  22       0.212   2.539   6.151  1.00 52.22           C
ATOM      3  C   ALA A  22      -1.090   1.718   6.064  1.00 21.03           C
ATOM      4  O   ALA A  22      -1.131   0.552   6.474  1.00 42.31           O
ATOM      5  CB  ALA A  22       1.464   1.645   6.092  1.00 43.21           C
ATOM      0  HA  ALA A  22       0.238   3.201   5.285  1.00 52.22           H   new
ATOM      0  HB1 ALA A  22       1.447   1.055   5.175  1.00 43.21           H   new
ATOM      0  HB2 ALA A  22       2.358   2.269   6.106  1.00 43.21           H   new
ATOM      0  HB3 ALA A  22       1.475   0.977   6.953  1.00 43.21           H   new
ATOM     13  N   GLU A  23      -2.167   2.357   5.567  1.00 11.14           N
ATOM     14  CA  GLU A  23      -3.505   1.736   5.475  1.00 24.15           C
ATOM     15  C   GLU A  23      -3.643   0.959   4.156  1.00 51.24           C
ATOM     16  O   GLU A  23      -3.262   1.455   3.094  1.00 54.11           O
ATOM     17  CB  GLU A  23      -4.618   2.817   5.593  1.00 54.12           C
ATOM     18  CG  GLU A  23      -4.546   3.923   4.518  1.00 31.12           C
ATOM     19  CD  GLU A  23      -5.672   4.961   4.613  1.00 73.31           C
ATOM     20  OE1 GLU A  23      -5.557   5.900   5.431  1.00 12.34           O
ATOM     21  OE2 GLU A  23      -6.675   4.850   3.876  1.00 25.25           O
ATOM      0  H   GLU A  23      -2.135   3.315   5.219  1.00 11.14           H   new
ATOM      0  HA  GLU A  23      -3.620   1.036   6.302  1.00 24.15           H   new
ATOM      0  HB2 GLU A  23      -5.591   2.329   5.531  1.00 54.12           H   new
ATOM      0  HB3 GLU A  23      -4.556   3.279   6.578  1.00 54.12           H   new
ATOM      0  HG2 GLU A  23      -3.587   4.434   4.601  1.00 31.12           H   new
ATOM      0  HG3 GLU A  23      -4.576   3.459   3.532  1.00 31.12           H   new
ATOM     28  N   ILE A  24      -4.179  -0.262   4.233  1.00 62.22           N
ATOM     29  CA  ILE A  24      -4.413  -1.099   3.050  1.00 25.03           C
ATOM     30  C   ILE A  24      -5.683  -0.637   2.316  1.00 31.12           C
ATOM     31  O   ILE A  24      -6.774  -0.622   2.901  1.00 54.11           O
ATOM     32  CB  ILE A  24      -4.558  -2.616   3.432  1.00 23.22           C
ATOM     33  CG1 ILE A  24      -3.265  -3.147   4.126  1.00 31.33           C
ATOM     34  CG2 ILE A  24      -4.919  -3.480   2.195  1.00 70.42           C
ATOM     35  CD1 ILE A  24      -2.036  -3.240   3.237  1.00 60.10           C
ATOM      0  H   ILE A  24      -4.462  -0.697   5.111  1.00 62.22           H   new
ATOM      0  HA  ILE A  24      -3.547  -0.991   2.397  1.00 25.03           H   new
ATOM      0  HB  ILE A  24      -5.380  -2.698   4.143  1.00 23.22           H   new
ATOM      0 HG12 ILE A  24      -3.033  -2.497   4.970  1.00 31.33           H   new
ATOM      0 HG13 ILE A  24      -3.473  -4.136   4.534  1.00 31.33           H   new
ATOM      0 HG21 ILE A  24      -5.012  -4.524   2.495  1.00 70.42           H   new
ATOM      0 HG22 ILE A  24      -5.865  -3.138   1.776  1.00 70.42           H   new
ATOM      0 HG23 ILE A  24      -4.134  -3.386   1.444  1.00 70.42           H   new
ATOM      0 HD11 ILE A  24      -1.195  -3.620   3.817  1.00 60.10           H   new
ATOM      0 HD12 ILE A  24      -2.238  -3.916   2.406  1.00 60.10           H   new
ATOM      0 HD13 ILE A  24      -1.792  -2.251   2.849  1.00 60.10           H   new
ATOM     47  N   MET A  25      -5.519  -0.234   1.052  1.00 21.42           N
ATOM     48  CA  MET A  25      -6.631  -0.023   0.110  1.00 14.31           C
ATOM     49  C   MET A  25      -6.288  -0.728  -1.209  1.00 24.23           C
ATOM     50  O   MET A  25      -5.111  -0.821  -1.589  1.00 12.35           O
ATOM     51  CB  MET A  25      -6.920   1.498  -0.124  1.00 30.02           C
ATOM     52  CG  MET A  25      -7.414   2.254   1.124  1.00 43.03           C
ATOM     53  SD  MET A  25      -8.103   3.883   0.759  1.00 23.04           S
ATOM     54  CE  MET A  25      -6.693   4.775   0.118  1.00  2.45           C
ATOM      0  H   MET A  25      -4.603  -0.042   0.647  1.00 21.42           H   new
ATOM      0  HA  MET A  25      -7.542  -0.446   0.534  1.00 14.31           H   new
ATOM      0  HB2 MET A  25      -6.010   1.976  -0.486  1.00 30.02           H   new
ATOM      0  HB3 MET A  25      -7.667   1.596  -0.912  1.00 30.02           H   new
ATOM      0  HG2 MET A  25      -8.172   1.653   1.626  1.00 43.03           H   new
ATOM      0  HG3 MET A  25      -6.584   2.368   1.821  1.00 43.03           H   new
ATOM      0  HE1 MET A  25      -6.996   5.785  -0.158  1.00  2.45           H   new
ATOM      0  HE2 MET A  25      -5.917   4.825   0.881  1.00  2.45           H   new
ATOM      0  HE3 MET A  25      -6.305   4.260  -0.761  1.00  2.45           H   new
ATOM     64  N   LYS A  26      -7.307  -1.267  -1.884  1.00 32.43           N
ATOM     65  CA  LYS A  26      -7.144  -1.870  -3.217  1.00  4.02           C
ATOM     66  C   LYS A  26      -7.133  -0.757  -4.278  1.00 53.13           C
ATOM     67  O   LYS A  26      -7.584   0.360  -4.001  1.00 64.44           O
ATOM     68  CB  LYS A  26      -8.246  -2.935  -3.446  1.00 11.11           C
ATOM     69  CG  LYS A  26      -8.125  -4.139  -2.474  1.00 75.30           C
ATOM     70  CD  LYS A  26      -9.278  -5.176  -2.563  1.00 44.21           C
ATOM     71  CE  LYS A  26     -10.561  -4.759  -1.812  1.00 24.21           C
ATOM     72  NZ  LYS A  26     -11.254  -3.590  -2.422  1.00 35.32           N
ATOM      0  H   LYS A  26      -8.263  -1.300  -1.529  1.00 32.43           H   new
ATOM      0  HA  LYS A  26      -6.190  -2.392  -3.296  1.00  4.02           H   new
ATOM      0  HB2 LYS A  26      -9.225  -2.471  -3.324  1.00 11.11           H   new
ATOM      0  HB3 LYS A  26      -8.190  -3.295  -4.473  1.00 11.11           H   new
ATOM      0  HG2 LYS A  26      -7.182  -4.650  -2.669  1.00 75.30           H   new
ATOM      0  HG3 LYS A  26      -8.077  -3.759  -1.454  1.00 75.30           H   new
ATOM      0  HD2 LYS A  26      -9.522  -5.343  -3.612  1.00 44.21           H   new
ATOM      0  HD3 LYS A  26      -8.928  -6.127  -2.162  1.00 44.21           H   new
ATOM      0  HE2 LYS A  26     -11.248  -5.605  -1.785  1.00 24.21           H   new
ATOM      0  HE3 LYS A  26     -10.307  -4.522  -0.779  1.00 24.21           H   new
ATOM      0  HZ1 LYS A  26     -12.260  -3.606  -2.158  1.00 35.32           H   new
ATOM      0  HZ2 LYS A  26     -10.820  -2.710  -2.077  1.00 35.32           H   new
ATOM      0  HZ3 LYS A  26     -11.167  -3.636  -3.457  1.00 35.32           H   new
ATOM     86  N   LYS A  27      -6.610  -1.075  -5.481  1.00  0.02           N
ATOM     87  CA  LYS A  27      -6.233  -0.074  -6.511  1.00 63.54           C
ATOM     88  C   LYS A  27      -7.422   0.848  -6.886  1.00 22.52           C
ATOM     89  O   LYS A  27      -7.264   2.072  -6.938  1.00 11.41           O
ATOM     90  CB  LYS A  27      -5.638  -0.802  -7.766  1.00 22.30           C
ATOM     91  CG  LYS A  27      -4.615   0.017  -8.617  1.00 74.14           C
ATOM     92  CD  LYS A  27      -5.239   1.182  -9.429  1.00  1.14           C
ATOM     93  CE  LYS A  27      -4.189   2.003 -10.199  1.00 32.53           C
ATOM     94  NZ  LYS A  27      -4.817   3.059 -11.037  1.00 14.22           N
ATOM      0  H   LYS A  27      -6.435  -2.037  -5.770  1.00  0.02           H   new
ATOM      0  HA  LYS A  27      -5.465   0.577  -6.094  1.00 63.54           H   new
ATOM      0  HB2 LYS A  27      -5.150  -1.718  -7.432  1.00 22.30           H   new
ATOM      0  HB3 LYS A  27      -6.463  -1.098  -8.414  1.00 22.30           H   new
ATOM      0  HG2 LYS A  27      -3.852   0.422  -7.953  1.00 74.14           H   new
ATOM      0  HG3 LYS A  27      -4.111  -0.660  -9.306  1.00 74.14           H   new
ATOM      0  HD2 LYS A  27      -5.966   0.779 -10.134  1.00  1.14           H   new
ATOM      0  HD3 LYS A  27      -5.783   1.840  -8.752  1.00  1.14           H   new
ATOM      0  HE2 LYS A  27      -3.498   2.463  -9.492  1.00 32.53           H   new
ATOM      0  HE3 LYS A  27      -3.601   1.338 -10.832  1.00 32.53           H   new
ATOM      0  HZ1 LYS A  27      -4.082   3.704 -11.391  1.00 14.22           H   new
ATOM      0  HZ2 LYS A  27      -5.307   2.618 -11.841  1.00 14.22           H   new
ATOM      0  HZ3 LYS A  27      -5.502   3.594 -10.466  1.00 14.22           H   new
ATOM    108  N   THR A  28      -8.602   0.246  -7.116  1.00 62.43           N
ATOM    109  CA  THR A  28      -9.821   0.983  -7.514  1.00 54.33           C
ATOM    110  C   THR A  28     -10.322   1.923  -6.393  1.00 34.22           C
ATOM    111  O   THR A  28     -10.832   3.012  -6.674  1.00 63.45           O
ATOM    112  CB  THR A  28     -10.962  -0.001  -7.965  1.00 44.13           C
ATOM    113  OG1 THR A  28     -12.122   0.725  -8.419  1.00 51.54           O
ATOM    114  CG2 THR A  28     -11.378  -0.977  -6.849  1.00 25.14           C
ATOM      0  H   THR A  28      -8.741  -0.761  -7.032  1.00 62.43           H   new
ATOM      0  HA  THR A  28      -9.549   1.605  -8.367  1.00 54.33           H   new
ATOM      0  HB  THR A  28     -10.550  -0.586  -8.787  1.00 44.13           H   new
ATOM      0  HG1 THR A  28     -12.817   0.092  -8.695  1.00 51.54           H   new
ATOM      0 HG21 THR A  28     -12.168  -1.633  -7.215  1.00 25.14           H   new
ATOM      0 HG22 THR A  28     -10.518  -1.577  -6.551  1.00 25.14           H   new
ATOM      0 HG23 THR A  28     -11.743  -0.414  -5.990  1.00 25.14           H   new
ATOM    122  N   ASP A  29     -10.148   1.492  -5.130  1.00 74.02           N
ATOM    123  CA  ASP A  29     -10.539   2.276  -3.941  1.00 51.20           C
ATOM    124  C   ASP A  29      -9.629   3.496  -3.795  1.00 72.22           C
ATOM    125  O   ASP A  29     -10.092   4.619  -3.582  1.00 52.13           O
ATOM    126  CB  ASP A  29     -10.444   1.392  -2.671  1.00 74.51           C
ATOM    127  CG  ASP A  29     -11.378   0.181  -2.726  1.00  4.15           C
ATOM    128  OD1 ASP A  29     -10.962  -0.881  -3.227  1.00 63.02           O
ATOM    129  OD2 ASP A  29     -12.534   0.293  -2.282  1.00 51.32           O
ATOM      0  H   ASP A  29      -9.732   0.589  -4.904  1.00 74.02           H   new
ATOM      0  HA  ASP A  29     -11.568   2.615  -4.063  1.00 51.20           H   new
ATOM      0  HB2 ASP A  29      -9.417   1.049  -2.548  1.00 74.51           H   new
ATOM      0  HB3 ASP A  29     -10.686   1.994  -1.795  1.00 74.51           H   new
ATOM    134  N   PHE A  30      -8.325   3.237  -3.943  1.00 70.41           N
ATOM    135  CA  PHE A  30      -7.282   4.241  -3.804  1.00 13.42           C
ATOM    136  C   PHE A  30      -7.353   5.286  -4.932  1.00 52.34           C
ATOM    137  O   PHE A  30      -7.113   6.465  -4.684  1.00 63.41           O
ATOM    138  CB  PHE A  30      -5.891   3.558  -3.793  1.00 64.00           C
ATOM    139  CG  PHE A  30      -4.745   4.557  -3.819  1.00 64.10           C
ATOM    140  CD1 PHE A  30      -4.402   5.268  -2.675  1.00  2.41           C
ATOM    141  CD2 PHE A  30      -4.041   4.820  -4.999  1.00 21.45           C
ATOM    142  CE1 PHE A  30      -3.399   6.202  -2.699  1.00 72.23           C
ATOM    143  CE2 PHE A  30      -3.038   5.751  -5.017  1.00 43.01           C
ATOM    144  CZ  PHE A  30      -2.721   6.446  -3.868  1.00 24.13           C
ATOM      0  H   PHE A  30      -7.967   2.308  -4.166  1.00 70.41           H   new
ATOM      0  HA  PHE A  30      -7.437   4.761  -2.859  1.00 13.42           H   new
ATOM      0  HB2 PHE A  30      -5.804   2.935  -2.903  1.00 64.00           H   new
ATOM      0  HB3 PHE A  30      -5.809   2.896  -4.655  1.00 64.00           H   new
ATOM      0  HD1 PHE A  30      -4.934   5.082  -1.754  1.00  2.41           H   new
ATOM      0  HD2 PHE A  30      -4.291   4.284  -5.903  1.00 21.45           H   new
ATOM      0  HE1 PHE A  30      -3.143   6.745  -1.801  1.00 72.23           H   new
ATOM      0  HE2 PHE A  30      -2.495   5.942  -5.931  1.00 43.01           H   new
ATOM      0  HZ  PHE A  30      -1.935   7.186  -3.888  1.00 24.13           H   new
ATOM    154  N   ASP A  31      -7.672   4.824  -6.157  1.00 73.53           N
ATOM    155  CA  ASP A  31      -7.631   5.645  -7.389  1.00  2.43           C
ATOM    156  C   ASP A  31      -8.454   6.944  -7.225  1.00 61.02           C
ATOM    157  O   ASP A  31      -8.032   8.024  -7.655  1.00 23.33           O
ATOM    158  CB  ASP A  31      -8.147   4.809  -8.593  1.00 61.22           C
ATOM    159  CG  ASP A  31      -7.855   5.463  -9.960  1.00 25.44           C
ATOM    160  OD1 ASP A  31      -8.646   6.320 -10.417  1.00 72.44           O
ATOM    161  OD2 ASP A  31      -6.815   5.130 -10.577  1.00 14.40           O
ATOM      0  H   ASP A  31      -7.968   3.862  -6.323  1.00 73.53           H   new
ATOM      0  HA  ASP A  31      -6.598   5.937  -7.578  1.00  2.43           H   new
ATOM      0  HB2 ASP A  31      -7.686   3.821  -8.565  1.00 61.22           H   new
ATOM      0  HB3 ASP A  31      -9.222   4.662  -8.490  1.00 61.22           H   new
ATOM    166  N   LYS A  32      -9.588   6.802  -6.517  1.00  2.31           N
ATOM    167  CA  LYS A  32     -10.550   7.887  -6.222  1.00 20.33           C
ATOM    168  C   LYS A  32      -9.876   9.092  -5.515  1.00  4.20           C
ATOM    169  O   LYS A  32     -10.274  10.244  -5.709  1.00 52.33           O
ATOM    170  CB  LYS A  32     -11.695   7.306  -5.341  1.00 34.40           C
ATOM    171  CG  LYS A  32     -12.379   6.055  -5.949  1.00 74.14           C
ATOM    172  CD  LYS A  32     -13.341   5.352  -4.967  1.00 40.51           C
ATOM    173  CE  LYS A  32     -13.923   4.050  -5.540  1.00 73.01           C
ATOM    174  NZ  LYS A  32     -14.799   3.349  -4.566  1.00 42.40           N
ATOM      0  H   LYS A  32      -9.872   5.906  -6.122  1.00  2.31           H   new
ATOM      0  HA  LYS A  32     -10.950   8.264  -7.163  1.00 20.33           H   new
ATOM      0  HB2 LYS A  32     -11.292   7.048  -4.362  1.00 34.40           H   new
ATOM      0  HB3 LYS A  32     -12.447   8.079  -5.183  1.00 34.40           H   new
ATOM      0  HG2 LYS A  32     -12.931   6.348  -6.842  1.00 74.14           H   new
ATOM      0  HG3 LYS A  32     -11.613   5.348  -6.266  1.00 74.14           H   new
ATOM      0  HD2 LYS A  32     -12.811   5.132  -4.040  1.00 40.51           H   new
ATOM      0  HD3 LYS A  32     -14.156   6.030  -4.715  1.00 40.51           H   new
ATOM      0  HE2 LYS A  32     -14.493   4.275  -6.442  1.00 73.01           H   new
ATOM      0  HE3 LYS A  32     -13.108   3.389  -5.834  1.00 73.01           H   new
ATOM      0  HZ1 LYS A  32     -15.168   2.477  -4.996  1.00 42.40           H   new
ATOM      0  HZ2 LYS A  32     -14.251   3.110  -3.715  1.00 42.40           H   new
ATOM      0  HZ3 LYS A  32     -15.592   3.969  -4.304  1.00 42.40           H   new
ATOM    188  N   VAL A  33      -8.837   8.800  -4.715  1.00 11.35           N
ATOM    189  CA  VAL A  33      -8.059   9.805  -3.951  1.00 73.14           C
ATOM    190  C   VAL A  33      -6.561   9.783  -4.337  1.00 61.22           C
ATOM    191  O   VAL A  33      -5.742  10.366  -3.627  1.00 52.52           O
ATOM    192  CB  VAL A  33      -8.216   9.572  -2.394  1.00 24.24           C
ATOM    193  CG1 VAL A  33      -9.653   9.890  -1.921  1.00 51.52           C
ATOM    194  CG2 VAL A  33      -7.791   8.131  -1.994  1.00 11.23           C
ATOM      0  H   VAL A  33      -8.504   7.846  -4.575  1.00 11.35           H   new
ATOM      0  HA  VAL A  33      -8.461  10.785  -4.207  1.00 73.14           H   new
ATOM      0  HB  VAL A  33      -7.544  10.264  -1.886  1.00 24.24           H   new
ATOM      0 HG11 VAL A  33      -9.728   9.720  -0.847  1.00 51.52           H   new
ATOM      0 HG12 VAL A  33      -9.886  10.932  -2.141  1.00 51.52           H   new
ATOM      0 HG13 VAL A  33     -10.359   9.243  -2.441  1.00 51.52           H   new
ATOM      0 HG21 VAL A  33      -7.910   8.002  -0.918  1.00 11.23           H   new
ATOM      0 HG22 VAL A  33      -8.417   7.408  -2.518  1.00 11.23           H   new
ATOM      0 HG23 VAL A  33      -6.747   7.971  -2.265  1.00 11.23           H   new
ATOM    204  N   ALA A  34      -6.222   9.165  -5.495  1.00 31.25           N
ATOM    205  CA  ALA A  34      -4.816   8.968  -5.936  1.00 53.41           C
ATOM    206  C   ALA A  34      -4.040  10.294  -6.058  1.00  2.32           C
ATOM    207  O   ALA A  34      -2.864  10.370  -5.677  1.00 53.24           O
ATOM    208  CB  ALA A  34      -4.771   8.199  -7.266  1.00 33.05           C
ATOM      0  H   ALA A  34      -6.911   8.790  -6.148  1.00 31.25           H   new
ATOM      0  HA  ALA A  34      -4.323   8.380  -5.162  1.00 53.41           H   new
ATOM      0  HB1 ALA A  34      -3.734   8.064  -7.573  1.00 33.05           H   new
ATOM      0  HB2 ALA A  34      -5.242   7.224  -7.139  1.00 33.05           H   new
ATOM      0  HB3 ALA A  34      -5.306   8.763  -8.031  1.00 33.05           H   new
ATOM    214  N   SER A  35      -4.735  11.347  -6.536  1.00 50.12           N
ATOM    215  CA  SER A  35      -4.147  12.691  -6.752  1.00 73.44           C
ATOM    216  C   SER A  35      -3.802  13.411  -5.420  1.00 73.30           C
ATOM    217  O   SER A  35      -3.233  14.503  -5.438  1.00 31.31           O
ATOM    218  CB  SER A  35      -5.122  13.558  -7.586  1.00 12.53           C
ATOM    219  OG  SER A  35      -5.530  12.886  -8.769  1.00 44.02           O
ATOM      0  H   SER A  35      -5.723  11.292  -6.785  1.00 50.12           H   new
ATOM      0  HA  SER A  35      -3.211  12.555  -7.293  1.00 73.44           H   new
ATOM      0  HB2 SER A  35      -5.997  13.804  -6.985  1.00 12.53           H   new
ATOM      0  HB3 SER A  35      -4.640  14.500  -7.848  1.00 12.53           H   new
ATOM      0  HG  SER A  35      -6.146  13.457  -9.274  1.00 44.02           H   new
ATOM    225  N   GLU A  36      -4.178  12.801  -4.276  1.00 11.11           N
ATOM    226  CA  GLU A  36      -3.861  13.314  -2.928  1.00 52.21           C
ATOM    227  C   GLU A  36      -2.619  12.610  -2.346  1.00 64.23           C
ATOM    228  O   GLU A  36      -2.225  12.890  -1.205  1.00 70.13           O
ATOM    229  CB  GLU A  36      -5.084  13.120  -1.976  1.00 71.22           C
ATOM    230  CG  GLU A  36      -6.410  13.724  -2.500  1.00 52.02           C
ATOM    231  CD  GLU A  36      -6.313  15.227  -2.832  1.00 51.41           C
ATOM    232  OE1 GLU A  36      -6.253  16.050  -1.891  1.00 45.13           O
ATOM    233  OE2 GLU A  36      -6.299  15.591  -4.032  1.00  1.03           O
ATOM      0  H   GLU A  36      -4.714  11.933  -4.263  1.00 11.11           H   new
ATOM      0  HA  GLU A  36      -3.641  14.378  -3.013  1.00 52.21           H   new
ATOM      0  HB2 GLU A  36      -5.229  12.053  -1.804  1.00 71.22           H   new
ATOM      0  HB3 GLU A  36      -4.851  13.570  -1.011  1.00 71.22           H   new
ATOM      0  HG2 GLU A  36      -6.719  13.182  -3.394  1.00 52.02           H   new
ATOM      0  HG3 GLU A  36      -7.189  13.575  -1.752  1.00 52.02           H   new
ATOM    240  N   TYR A  37      -2.010  11.683  -3.124  1.00 53.21           N
ATOM    241  CA  TYR A  37      -0.859  10.861  -2.671  1.00 32.12           C
ATOM    242  C   TYR A  37       0.258  10.820  -3.736  1.00 23.33           C
ATOM    243  O   TYR A  37       0.071  11.293  -4.863  1.00  3.35           O
ATOM    244  CB  TYR A  37      -1.337   9.425  -2.316  1.00 13.05           C
ATOM    245  CG  TYR A  37      -2.380   9.378  -1.185  1.00  1.13           C
ATOM    246  CD1 TYR A  37      -1.996   9.298   0.147  1.00  3.50           C
ATOM    247  CD2 TYR A  37      -3.749   9.436  -1.455  1.00 32.12           C
ATOM    248  CE1 TYR A  37      -2.930   9.292   1.167  1.00 70.45           C
ATOM    249  CE2 TYR A  37      -4.686   9.425  -0.444  1.00 63.33           C
ATOM    250  CZ  TYR A  37      -4.277   9.343   0.864  1.00 34.42           C
ATOM    251  OH  TYR A  37      -5.214   9.326   1.876  1.00  0.13           O
ATOM      0  H   TYR A  37      -2.301  11.483  -4.081  1.00 53.21           H   new
ATOM      0  HA  TYR A  37      -0.440  11.324  -1.777  1.00 32.12           H   new
ATOM      0  HB2 TYR A  37      -1.761   8.963  -3.207  1.00 13.05           H   new
ATOM      0  HB3 TYR A  37      -0.474   8.826  -2.026  1.00 13.05           H   new
ATOM      0  HD1 TYR A  37      -0.946   9.239   0.392  1.00  3.50           H   new
ATOM      0  HD2 TYR A  37      -4.082   9.491  -2.481  1.00 32.12           H   new
ATOM      0  HE1 TYR A  37      -2.608   9.248   2.197  1.00 70.45           H   new
ATOM      0  HE2 TYR A  37      -5.738   9.481  -0.680  1.00 63.33           H   new
ATOM      0  HH  TYR A  37      -6.114   9.369   1.490  1.00  0.13           H   new
ATOM    261  N   THR A  38       1.422  10.244  -3.362  1.00  4.22           N
ATOM    262  CA  THR A  38       2.622  10.189  -4.222  1.00 12.34           C
ATOM    263  C   THR A  38       3.259   8.779  -4.167  1.00  1.44           C
ATOM    264  O   THR A  38       3.433   8.207  -3.082  1.00 13.50           O
ATOM    265  CB  THR A  38       3.665  11.293  -3.814  1.00 64.04           C
ATOM    266  OG1 THR A  38       4.771  11.292  -4.729  1.00 60.45           O
ATOM    267  CG2 THR A  38       4.191  11.121  -2.375  1.00 34.41           C
ATOM      0  H   THR A  38       1.555   9.803  -2.452  1.00  4.22           H   new
ATOM      0  HA  THR A  38       2.315  10.390  -5.248  1.00 12.34           H   new
ATOM      0  HB  THR A  38       3.140  12.247  -3.857  1.00 64.04           H   new
ATOM      0  HG1 THR A  38       5.413  11.984  -4.467  1.00 60.45           H   new
ATOM      0 HG21 THR A  38       4.907  11.912  -2.152  1.00 34.41           H   new
ATOM      0 HG22 THR A  38       3.358  11.177  -1.674  1.00 34.41           H   new
ATOM      0 HG23 THR A  38       4.681  10.152  -2.280  1.00 34.41           H   new
ATOM    275  N   LYS A  39       3.573   8.219  -5.355  1.00 53.22           N
ATOM    276  CA  LYS A  39       4.090   6.842  -5.512  1.00 61.54           C
ATOM    277  C   LYS A  39       5.577   6.816  -5.118  1.00 64.45           C
ATOM    278  O   LYS A  39       6.419   7.345  -5.851  1.00  2.21           O
ATOM    279  CB  LYS A  39       3.860   6.368  -6.993  1.00 73.42           C
ATOM    280  CG  LYS A  39       3.818   4.829  -7.230  1.00  1.01           C
ATOM    281  CD  LYS A  39       5.206   4.159  -7.275  1.00 52.23           C
ATOM    282  CE  LYS A  39       5.117   2.638  -7.488  1.00 34.53           C
ATOM    283  NZ  LYS A  39       4.485   2.256  -8.776  1.00 72.10           N
ATOM      0  H   LYS A  39       3.474   8.715  -6.241  1.00 53.22           H   new
ATOM      0  HA  LYS A  39       3.559   6.151  -4.858  1.00 61.54           H   new
ATOM      0  HB2 LYS A  39       2.921   6.794  -7.346  1.00 73.42           H   new
ATOM      0  HB3 LYS A  39       4.653   6.787  -7.613  1.00 73.42           H   new
ATOM      0  HG2 LYS A  39       3.229   4.367  -6.438  1.00  1.01           H   new
ATOM      0  HG3 LYS A  39       3.301   4.631  -8.169  1.00  1.01           H   new
ATOM      0  HD2 LYS A  39       5.794   4.602  -8.079  1.00 52.23           H   new
ATOM      0  HD3 LYS A  39       5.735   4.362  -6.344  1.00 52.23           H   new
ATOM      0  HE2 LYS A  39       6.120   2.214  -7.445  1.00 34.53           H   new
ATOM      0  HE3 LYS A  39       4.549   2.197  -6.669  1.00 34.53           H   new
ATOM      0  HZ1 LYS A  39       3.675   1.629  -8.593  1.00 72.10           H   new
ATOM      0  HZ2 LYS A  39       4.157   3.111  -9.269  1.00 72.10           H   new
ATOM      0  HZ3 LYS A  39       5.180   1.760  -9.370  1.00 72.10           H   new
ATOM    297  N   ILE A  40       5.890   6.221  -3.951  1.00 33.02           N
ATOM    298  CA  ILE A  40       7.268   6.215  -3.397  1.00 62.53           C
ATOM    299  C   ILE A  40       8.001   4.884  -3.703  1.00 51.42           C
ATOM    300  O   ILE A  40       9.217   4.785  -3.507  1.00 74.11           O
ATOM    301  CB  ILE A  40       7.270   6.506  -1.841  1.00 71.13           C
ATOM    302  CG1 ILE A  40       6.564   5.364  -1.042  1.00 51.12           C
ATOM    303  CG2 ILE A  40       6.603   7.875  -1.544  1.00 42.15           C
ATOM    304  CD1 ILE A  40       6.653   5.474   0.473  1.00 44.32           C
ATOM      0  H   ILE A  40       5.208   5.735  -3.368  1.00 33.02           H   new
ATOM      0  HA  ILE A  40       7.812   7.020  -3.892  1.00 62.53           H   new
ATOM      0  HB  ILE A  40       8.308   6.544  -1.512  1.00 71.13           H   new
ATOM      0 HG12 ILE A  40       5.512   5.342  -1.326  1.00 51.12           H   new
ATOM      0 HG13 ILE A  40       6.996   4.411  -1.346  1.00 51.12           H   new
ATOM      0 HG21 ILE A  40       6.613   8.059  -0.470  1.00 42.15           H   new
ATOM      0 HG22 ILE A  40       7.154   8.666  -2.053  1.00 42.15           H   new
ATOM      0 HG23 ILE A  40       5.573   7.863  -1.901  1.00 42.15           H   new
ATOM      0 HD11 ILE A  40       6.131   4.633   0.930  1.00 44.32           H   new
ATOM      0 HD12 ILE A  40       7.699   5.461   0.778  1.00 44.32           H   new
ATOM      0 HD13 ILE A  40       6.192   6.407   0.798  1.00 44.32           H   new
ATOM    316  N   GLY A  41       7.252   3.863  -4.172  1.00 65.20           N
ATOM    317  CA  GLY A  41       7.837   2.560  -4.537  1.00 62.52           C
ATOM    318  C   GLY A  41       6.790   1.460  -4.622  1.00 62.11           C
ATOM    319  O   GLY A  41       5.592   1.744  -4.520  1.00 62.20           O
ATOM      0  H   GLY A  41       6.242   3.918  -4.306  1.00 65.20           H   new
ATOM      0  HA2 GLY A  41       8.346   2.649  -5.497  1.00 62.52           H   new
ATOM      0  HA3 GLY A  41       8.592   2.284  -3.800  1.00 62.52           H   new
ATOM    323  N   THR A  42       7.231   0.212  -4.840  1.00 72.23           N
ATOM    324  CA  THR A  42       6.366  -0.982  -4.763  1.00 73.01           C
ATOM    325  C   THR A  42       7.043  -2.034  -3.867  1.00  2.32           C
ATOM    326  O   THR A  42       8.253  -2.264  -3.989  1.00 32.24           O
ATOM    327  CB  THR A  42       6.105  -1.587  -6.185  1.00 61.25           C
ATOM    328  OG1 THR A  42       5.672  -0.556  -7.080  1.00 61.24           O
ATOM    329  CG2 THR A  42       5.045  -2.707  -6.162  1.00 60.35           C
ATOM      0  H   THR A  42       8.200  -0.002  -5.076  1.00 72.23           H   new
ATOM      0  HA  THR A  42       5.404  -0.690  -4.341  1.00 73.01           H   new
ATOM      0  HB  THR A  42       7.045  -2.021  -6.525  1.00 61.25           H   new
ATOM      0  HG1 THR A  42       4.695  -0.572  -7.149  1.00 61.24           H   new
ATOM      0 HG21 THR A  42       4.901  -3.093  -7.171  1.00 60.35           H   new
ATOM      0 HG22 THR A  42       5.382  -3.513  -5.510  1.00 60.35           H   new
ATOM      0 HG23 THR A  42       4.102  -2.308  -5.788  1.00 60.35           H   new
ATOM    337  N   ILE A  43       6.273  -2.653  -2.952  1.00 72.21           N
ATOM    338  CA  ILE A  43       6.772  -3.748  -2.089  1.00 13.33           C
ATOM    339  C   ILE A  43       5.967  -5.034  -2.334  1.00 12.21           C
ATOM    340  O   ILE A  43       4.876  -5.001  -2.909  1.00 10.35           O
ATOM    341  CB  ILE A  43       6.724  -3.378  -0.553  1.00  2.45           C
ATOM    342  CG1 ILE A  43       5.256  -3.138  -0.056  1.00 50.05           C
ATOM    343  CG2 ILE A  43       7.621  -2.153  -0.251  1.00 41.33           C
ATOM    344  CD1 ILE A  43       5.120  -2.907   1.450  1.00 72.52           C
ATOM      0  H   ILE A  43       5.295  -2.413  -2.789  1.00 72.21           H   new
ATOM      0  HA  ILE A  43       7.816  -3.908  -2.358  1.00 13.33           H   new
ATOM      0  HB  ILE A  43       7.116  -4.232  -0.000  1.00  2.45           H   new
ATOM      0 HG12 ILE A  43       4.846  -2.275  -0.581  1.00 50.05           H   new
ATOM      0 HG13 ILE A  43       4.648  -3.999  -0.334  1.00 50.05           H   new
ATOM      0 HG21 ILE A  43       7.571  -1.919   0.812  1.00 41.33           H   new
ATOM      0 HG22 ILE A  43       8.651  -2.380  -0.524  1.00 41.33           H   new
ATOM      0 HG23 ILE A  43       7.273  -1.296  -0.828  1.00 41.33           H   new
ATOM      0 HD11 ILE A  43       4.071  -2.750   1.701  1.00 72.52           H   new
ATOM      0 HD12 ILE A  43       5.495  -3.778   1.987  1.00 72.52           H   new
ATOM      0 HD13 ILE A  43       5.697  -2.028   1.737  1.00 72.52           H   new
ATOM    356  N   SER A  44       6.542  -6.159  -1.903  1.00 65.12           N
ATOM    357  CA  SER A  44       5.903  -7.482  -1.963  1.00 30.40           C
ATOM    358  C   SER A  44       6.148  -8.226  -0.642  1.00 41.43           C
ATOM    359  O   SER A  44       7.135  -7.951   0.057  1.00 13.11           O
ATOM    360  CB  SER A  44       6.457  -8.295  -3.160  1.00 21.13           C
ATOM    361  OG  SER A  44       6.255  -7.608  -4.385  1.00  2.43           O
ATOM      0  H   SER A  44       7.477  -6.180  -1.496  1.00 65.12           H   new
ATOM      0  HA  SER A  44       4.830  -7.359  -2.108  1.00 30.40           H   new
ATOM      0  HB2 SER A  44       7.521  -8.480  -3.015  1.00 21.13           H   new
ATOM      0  HB3 SER A  44       5.967  -9.268  -3.200  1.00 21.13           H   new
ATOM      0  HG  SER A  44       5.410  -7.898  -4.787  1.00  2.43           H   new
ATOM    367  N   THR A  45       5.241  -9.158  -0.302  1.00 52.20           N
ATOM    368  CA  THR A  45       5.403 -10.050   0.860  1.00 11.34           C
ATOM    369  C   THR A  45       6.410 -11.175   0.528  1.00 25.33           C
ATOM    370  O   THR A  45       6.783 -11.346  -0.640  1.00 53.23           O
ATOM    371  CB  THR A  45       4.034 -10.659   1.319  1.00 64.21           C
ATOM    372  OG1 THR A  45       3.430 -11.425   0.267  1.00 13.02           O
ATOM    373  CG2 THR A  45       3.043  -9.577   1.767  1.00 52.12           C
ATOM      0  H   THR A  45       4.378  -9.314  -0.823  1.00 52.20           H   new
ATOM      0  HA  THR A  45       5.790  -9.455   1.687  1.00 11.34           H   new
ATOM      0  HB  THR A  45       4.257 -11.306   2.167  1.00 64.21           H   new
ATOM      0  HG1 THR A  45       3.893 -12.284   0.180  1.00 13.02           H   new
ATOM      0 HG21 THR A  45       2.108 -10.045   2.076  1.00 52.12           H   new
ATOM      0 HG22 THR A  45       3.465  -9.021   2.604  1.00 52.12           H   new
ATOM      0 HG23 THR A  45       2.850  -8.895   0.939  1.00 52.12           H   new
ATOM    381  N   THR A  46       6.843 -11.919   1.569  1.00 44.31           N
ATOM    382  CA  THR A  46       7.861 -13.001   1.463  1.00 51.54           C
ATOM    383  C   THR A  46       7.557 -14.023   0.335  1.00 22.42           C
ATOM    384  O   THR A  46       8.476 -14.518  -0.334  1.00 62.43           O
ATOM    385  CB  THR A  46       7.989 -13.747   2.834  1.00 41.23           C
ATOM    386  OG1 THR A  46       6.690 -14.182   3.277  1.00 24.44           O
ATOM    387  CG2 THR A  46       8.622 -12.847   3.916  1.00 75.30           C
ATOM      0  H   THR A  46       6.495 -11.788   2.519  1.00 44.31           H   new
ATOM      0  HA  THR A  46       8.803 -12.519   1.203  1.00 51.54           H   new
ATOM      0  HB  THR A  46       8.641 -14.607   2.682  1.00 41.23           H   new
ATOM      0  HG1 THR A  46       6.776 -14.649   4.134  1.00 24.44           H   new
ATOM      0 HG21 THR A  46       8.694 -13.400   4.853  1.00 75.30           H   new
ATOM      0 HG22 THR A  46       9.619 -12.541   3.598  1.00 75.30           H   new
ATOM      0 HG23 THR A  46       8.001 -11.963   4.063  1.00 75.30           H   new
ATOM    395  N   GLY A  47       6.269 -14.320   0.143  1.00  2.03           N
ATOM    396  CA  GLY A  47       5.809 -15.172  -0.952  1.00 40.44           C
ATOM    397  C   GLY A  47       4.313 -15.026  -1.151  1.00 63.53           C
ATOM    398  O   GLY A  47       3.761 -13.953  -0.871  1.00 10.15           O
ATOM      0  H   GLY A  47       5.518 -13.976   0.742  1.00  2.03           H   new
ATOM      0  HA2 GLY A  47       6.331 -14.906  -1.871  1.00 40.44           H   new
ATOM      0  HA3 GLY A  47       6.053 -16.212  -0.737  1.00 40.44           H   new
ATOM    402  N   GLU A  48       3.647 -16.086  -1.641  1.00 12.34           N
ATOM    403  CA  GLU A  48       2.178 -16.116  -1.751  1.00 20.20           C
ATOM    404  C   GLU A  48       1.555 -16.343  -0.362  1.00 32.23           C
ATOM    405  O   GLU A  48       1.421 -17.484   0.112  1.00 54.20           O
ATOM    406  CB  GLU A  48       1.712 -17.186  -2.770  1.00 21.22           C
ATOM    407  CG  GLU A  48       2.238 -16.971  -4.209  1.00 73.43           C
ATOM    408  CD  GLU A  48       1.545 -17.874  -5.244  1.00 72.13           C
ATOM    409  OE1 GLU A  48       1.913 -19.062  -5.349  1.00 53.54           O
ATOM    410  OE2 GLU A  48       0.611 -17.405  -5.940  1.00 61.53           O
ATOM      0  H   GLU A  48       4.105 -16.937  -1.968  1.00 12.34           H   new
ATOM      0  HA  GLU A  48       1.835 -15.152  -2.127  1.00 20.20           H   new
ATOM      0  HB2 GLU A  48       2.035 -18.167  -2.421  1.00 21.22           H   new
ATOM      0  HB3 GLU A  48       0.622 -17.198  -2.793  1.00 21.22           H   new
ATOM      0  HG2 GLU A  48       2.094 -15.928  -4.491  1.00 73.43           H   new
ATOM      0  HG3 GLU A  48       3.311 -17.161  -4.230  1.00 73.43           H   new
ATOM    417  N   MET A  49       1.235 -15.224   0.304  1.00 33.45           N
ATOM    418  CA  MET A  49       0.700 -15.210   1.678  1.00 12.22           C
ATOM    419  C   MET A  49      -0.839 -15.191   1.655  1.00 35.11           C
ATOM    420  O   MET A  49      -1.456 -14.948   0.611  1.00 11.24           O
ATOM    421  CB  MET A  49       1.254 -13.975   2.440  1.00  4.01           C
ATOM    422  CG  MET A  49       2.789 -13.864   2.431  1.00 33.33           C
ATOM    423  SD  MET A  49       3.632 -15.161   3.356  1.00 63.12           S
ATOM    424  CE  MET A  49       3.411 -14.588   5.040  1.00 50.32           C
ATOM      0  H   MET A  49       1.341 -14.293  -0.098  1.00 33.45           H   new
ATOM      0  HA  MET A  49       1.018 -16.115   2.195  1.00 12.22           H   new
ATOM      0  HB2 MET A  49       0.833 -13.071   1.999  1.00  4.01           H   new
ATOM      0  HB3 MET A  49       0.910 -14.016   3.473  1.00  4.01           H   new
ATOM      0  HG2 MET A  49       3.137 -13.886   1.398  1.00 33.33           H   new
ATOM      0  HG3 MET A  49       3.074 -12.896   2.843  1.00 33.33           H   new
ATOM      0  HE1 MET A  49       4.379 -14.544   5.539  1.00 50.32           H   new
ATOM      0  HE2 MET A  49       2.962 -13.595   5.030  1.00 50.32           H   new
ATOM      0  HE3 MET A  49       2.757 -15.276   5.576  1.00 50.32           H   new
ATOM    434  N   SER A  50      -1.437 -15.461   2.831  1.00 22.41           N
ATOM    435  CA  SER A  50      -2.898 -15.432   3.038  1.00 70.32           C
ATOM    436  C   SER A  50      -3.413 -13.971   2.918  1.00 71.32           C
ATOM    437  O   SER A  50      -2.631 -13.059   3.158  1.00 64.02           O
ATOM    438  CB  SER A  50      -3.200 -16.044   4.427  1.00 32.22           C
ATOM    439  OG  SER A  50      -2.622 -17.334   4.546  1.00  4.35           O
ATOM      0  H   SER A  50      -0.915 -15.708   3.672  1.00 22.41           H   new
ATOM      0  HA  SER A  50      -3.415 -16.018   2.279  1.00 70.32           H   new
ATOM      0  HB2 SER A  50      -2.810 -15.392   5.209  1.00 32.22           H   new
ATOM      0  HB3 SER A  50      -4.278 -16.109   4.574  1.00 32.22           H   new
ATOM      0  HG  SER A  50      -2.823 -17.702   5.432  1.00  4.35           H   new
ATOM    445  N   PRO A  51      -4.722 -13.716   2.575  1.00 10.22           N
ATOM    446  CA  PRO A  51      -5.184 -12.369   2.126  1.00 22.13           C
ATOM    447  C   PRO A  51      -5.000 -11.256   3.195  1.00 10.01           C
ATOM    448  O   PRO A  51      -4.315 -10.256   2.943  1.00 45.41           O
ATOM    449  CB  PRO A  51      -6.679 -12.605   1.773  1.00  3.40           C
ATOM    450  CG  PRO A  51      -7.083 -13.813   2.562  1.00  4.31           C
ATOM    451  CD  PRO A  51      -5.850 -14.688   2.624  1.00 12.04           C
ATOM      0  HA  PRO A  51      -4.596 -11.997   1.287  1.00 22.13           H   new
ATOM      0  HB2 PRO A  51      -7.287 -11.740   2.038  1.00  3.40           H   new
ATOM      0  HB3 PRO A  51      -6.810 -12.771   0.704  1.00  3.40           H   new
ATOM      0  HG2 PRO A  51      -7.417 -13.535   3.562  1.00  4.31           H   new
ATOM      0  HG3 PRO A  51      -7.911 -14.335   2.083  1.00  4.31           H   new
ATOM      0  HD2 PRO A  51      -5.827 -15.282   3.537  1.00 12.04           H   new
ATOM      0  HD3 PRO A  51      -5.813 -15.387   1.788  1.00 12.04           H   new
ATOM    459  N   LEU A  52      -5.577 -11.470   4.393  1.00 13.23           N
ATOM    460  CA  LEU A  52      -5.560 -10.490   5.506  1.00 71.30           C
ATOM    461  C   LEU A  52      -4.145 -10.464   6.150  1.00 72.31           C
ATOM    462  O   LEU A  52      -3.654  -9.412   6.573  1.00 33.14           O
ATOM    463  CB  LEU A  52      -6.682 -10.882   6.535  1.00 44.12           C
ATOM    464  CG  LEU A  52      -7.270  -9.757   7.470  1.00  4.13           C
ATOM    465  CD1 LEU A  52      -6.272  -9.289   8.552  1.00 52.00           C
ATOM    466  CD2 LEU A  52      -7.805  -8.565   6.642  1.00 25.24           C
ATOM      0  H   LEU A  52      -6.072 -12.332   4.621  1.00 13.23           H   new
ATOM      0  HA  LEU A  52      -5.769  -9.482   5.147  1.00 71.30           H   new
ATOM      0  HB2 LEU A  52      -7.511 -11.314   5.974  1.00 44.12           H   new
ATOM      0  HB3 LEU A  52      -6.285 -11.671   7.174  1.00 44.12           H   new
ATOM      0  HG  LEU A  52      -8.108 -10.205   8.003  1.00  4.13           H   new
ATOM      0 HD11 LEU A  52      -6.735  -8.514   9.163  1.00 52.00           H   new
ATOM      0 HD12 LEU A  52      -5.997 -10.134   9.184  1.00 52.00           H   new
ATOM      0 HD13 LEU A  52      -5.378  -8.888   8.074  1.00 52.00           H   new
ATOM      0 HD21 LEU A  52      -8.204  -7.805   7.314  1.00 25.24           H   new
ATOM      0 HD22 LEU A  52      -6.994  -8.138   6.053  1.00 25.24           H   new
ATOM      0 HD23 LEU A  52      -8.595  -8.911   5.975  1.00 25.24           H   new
ATOM    478  N   ASP A  53      -3.506 -11.640   6.165  1.00 53.22           N
ATOM    479  CA  ASP A  53      -2.150 -11.857   6.710  1.00 63.34           C
ATOM    480  C   ASP A  53      -1.085 -11.089   5.891  1.00 73.00           C
ATOM    481  O   ASP A  53      -0.143 -10.519   6.455  1.00 63.23           O
ATOM    482  CB  ASP A  53      -1.866 -13.382   6.713  1.00 35.23           C
ATOM    483  CG  ASP A  53      -0.445 -13.761   7.160  1.00  1.51           C
ATOM    484  OD1 ASP A  53      -0.142 -13.650   8.370  1.00 75.55           O
ATOM    485  OD2 ASP A  53       0.367 -14.175   6.309  1.00  3.34           O
ATOM      0  H   ASP A  53      -3.924 -12.492   5.790  1.00 53.22           H   new
ATOM      0  HA  ASP A  53      -2.097 -11.471   7.728  1.00 63.34           H   new
ATOM      0  HB2 ASP A  53      -2.584 -13.872   7.371  1.00 35.23           H   new
ATOM      0  HB3 ASP A  53      -2.035 -13.773   5.710  1.00 35.23           H   new
ATOM    490  N   ALA A  54      -1.274 -11.073   4.557  1.00 32.33           N
ATOM    491  CA  ALA A  54      -0.398 -10.357   3.612  1.00 34.01           C
ATOM    492  C   ALA A  54      -0.533  -8.853   3.829  1.00 31.10           C
ATOM    493  O   ALA A  54       0.460  -8.132   3.816  1.00  3.15           O
ATOM    494  CB  ALA A  54      -0.736 -10.722   2.154  1.00 32.54           C
ATOM      0  H   ALA A  54      -2.046 -11.561   4.102  1.00 32.33           H   new
ATOM      0  HA  ALA A  54       0.633 -10.658   3.798  1.00 34.01           H   new
ATOM      0  HB1 ALA A  54      -0.074 -10.179   1.480  1.00 32.54           H   new
ATOM      0  HB2 ALA A  54      -0.603 -11.794   2.007  1.00 32.54           H   new
ATOM      0  HB3 ALA A  54      -1.771 -10.452   1.942  1.00 32.54           H   new
ATOM    500  N   ARG A  55      -1.792  -8.410   4.047  1.00 35.13           N
ATOM    501  CA  ARG A  55      -2.128  -7.004   4.325  1.00 51.22           C
ATOM    502  C   ARG A  55      -1.331  -6.467   5.525  1.00 54.15           C
ATOM    503  O   ARG A  55      -0.736  -5.409   5.426  1.00 24.04           O
ATOM    504  CB  ARG A  55      -3.653  -6.855   4.573  1.00 22.04           C
ATOM    505  CG  ARG A  55      -4.522  -7.055   3.315  1.00 12.13           C
ATOM    506  CD  ARG A  55      -6.031  -7.009   3.615  1.00 43.50           C
ATOM    507  NE  ARG A  55      -6.446  -5.756   4.277  1.00 51.42           N
ATOM    508  CZ  ARG A  55      -7.720  -5.427   4.579  1.00 33.15           C
ATOM    509  NH1 ARG A  55      -8.724  -6.249   4.288  1.00 61.12           N
ATOM    510  NH2 ARG A  55      -7.973  -4.281   5.190  1.00 73.44           N
ATOM      0  H   ARG A  55      -2.605  -9.026   4.034  1.00 35.13           H   new
ATOM      0  HA  ARG A  55      -1.854  -6.412   3.452  1.00 51.22           H   new
ATOM      0  HB2 ARG A  55      -3.959  -7.577   5.330  1.00 22.04           H   new
ATOM      0  HB3 ARG A  55      -3.848  -5.863   4.981  1.00 22.04           H   new
ATOM      0  HG2 ARG A  55      -4.278  -6.283   2.585  1.00 12.13           H   new
ATOM      0  HG3 ARG A  55      -4.277  -8.014   2.859  1.00 12.13           H   new
ATOM      0  HD2 ARG A  55      -6.585  -7.123   2.683  1.00 43.50           H   new
ATOM      0  HD3 ARG A  55      -6.296  -7.855   4.249  1.00 43.50           H   new
ATOM      0  HE  ARG A  55      -5.715  -5.089   4.525  1.00 51.42           H   new
ATOM      0 HH11 ARG A  55      -8.536  -7.141   3.831  1.00 61.12           H   new
ATOM      0 HH12 ARG A  55      -9.682  -5.987   4.522  1.00 61.12           H   new
ATOM      0 HH21 ARG A  55      -7.207  -3.651   5.430  1.00 73.44           H   new
ATOM      0 HH22 ARG A  55      -8.934  -4.027   5.421  1.00 73.44           H   new
ATOM    524  N   GLU A  56      -1.313  -7.235   6.626  1.00 12.05           N
ATOM    525  CA  GLU A  56      -0.609  -6.868   7.879  1.00  3.54           C
ATOM    526  C   GLU A  56       0.918  -6.744   7.666  1.00 31.42           C
ATOM    527  O   GLU A  56       1.563  -5.819   8.202  1.00 23.52           O
ATOM    528  CB  GLU A  56      -0.927  -7.915   8.967  1.00 61.41           C
ATOM    529  CG  GLU A  56      -2.420  -7.983   9.350  1.00  1.00           C
ATOM    530  CD  GLU A  56      -2.744  -9.159  10.282  1.00 34.11           C
ATOM    531  OE1 GLU A  56      -2.561  -9.030  11.515  1.00 31.05           O
ATOM    532  OE2 GLU A  56      -3.166 -10.225   9.790  1.00 45.14           O
ATOM      0  H   GLU A  56      -1.788  -8.136   6.679  1.00 12.05           H   new
ATOM      0  HA  GLU A  56      -0.964  -5.889   8.200  1.00  3.54           H   new
ATOM      0  HB2 GLU A  56      -0.606  -8.897   8.618  1.00 61.41           H   new
ATOM      0  HB3 GLU A  56      -0.343  -7.687   9.859  1.00 61.41           H   new
ATOM      0  HG2 GLU A  56      -2.708  -7.051   9.836  1.00  1.00           H   new
ATOM      0  HG3 GLU A  56      -3.019  -8.069   8.443  1.00  1.00           H   new
ATOM    539  N   ASP A  57       1.471  -7.677   6.869  1.00 42.42           N
ATOM    540  CA  ASP A  57       2.902  -7.690   6.506  1.00 30.20           C
ATOM    541  C   ASP A  57       3.254  -6.408   5.718  1.00 64.14           C
ATOM    542  O   ASP A  57       4.263  -5.738   5.998  1.00 73.41           O
ATOM    543  CB  ASP A  57       3.224  -8.974   5.686  1.00 22.41           C
ATOM    544  CG  ASP A  57       4.731  -9.169   5.435  1.00 55.02           C
ATOM    545  OD1 ASP A  57       5.457  -9.514   6.395  1.00 52.15           O
ATOM    546  OD2 ASP A  57       5.202  -8.987   4.290  1.00 14.02           O
ATOM      0  H   ASP A  57       0.939  -8.444   6.458  1.00 42.42           H   new
ATOM      0  HA  ASP A  57       3.513  -7.706   7.409  1.00 30.20           H   new
ATOM      0  HB2 ASP A  57       2.835  -9.843   6.216  1.00 22.41           H   new
ATOM      0  HB3 ASP A  57       2.706  -8.926   4.728  1.00 22.41           H   new
ATOM    551  N   LEU A  58       2.352  -6.057   4.782  1.00 70.05           N
ATOM    552  CA  LEU A  58       2.458  -4.847   3.955  1.00 72.51           C
ATOM    553  C   LEU A  58       2.251  -3.569   4.796  1.00 51.34           C
ATOM    554  O   LEU A  58       2.871  -2.558   4.502  1.00 21.32           O
ATOM    555  CB  LEU A  58       1.441  -4.908   2.781  1.00 21.24           C
ATOM    556  CG  LEU A  58       1.662  -6.056   1.740  1.00 23.24           C
ATOM    557  CD1 LEU A  58       0.497  -6.140   0.731  1.00 60.42           C
ATOM    558  CD2 LEU A  58       3.022  -5.915   1.020  1.00 64.31           C
ATOM      0  H   LEU A  58       1.522  -6.614   4.579  1.00 70.05           H   new
ATOM      0  HA  LEU A  58       3.466  -4.806   3.542  1.00 72.51           H   new
ATOM      0  HB2 LEU A  58       0.440  -5.012   3.199  1.00 21.24           H   new
ATOM      0  HB3 LEU A  58       1.469  -3.955   2.253  1.00 21.24           H   new
ATOM      0  HG  LEU A  58       1.681  -6.995   2.294  1.00 23.24           H   new
ATOM      0 HD11 LEU A  58       0.685  -6.948   0.024  1.00 60.42           H   new
ATOM      0 HD12 LEU A  58      -0.433  -6.334   1.265  1.00 60.42           H   new
ATOM      0 HD13 LEU A  58       0.415  -5.197   0.191  1.00 60.42           H   new
ATOM      0 HD21 LEU A  58       3.141  -6.729   0.305  1.00 64.31           H   new
ATOM      0 HD22 LEU A  58       3.058  -4.961   0.494  1.00 64.31           H   new
ATOM      0 HD23 LEU A  58       3.828  -5.955   1.753  1.00 64.31           H   new
ATOM    570  N   ILE A  59       1.394  -3.630   5.849  1.00 72.42           N
ATOM    571  CA  ILE A  59       1.167  -2.490   6.770  1.00 72.25           C
ATOM    572  C   ILE A  59       2.483  -2.148   7.465  1.00 24.35           C
ATOM    573  O   ILE A  59       2.936  -1.002   7.407  1.00 55.34           O
ATOM    574  CB  ILE A  59       0.066  -2.790   7.875  1.00 35.34           C
ATOM    575  CG1 ILE A  59      -1.352  -2.939   7.250  1.00 64.32           C
ATOM    576  CG2 ILE A  59       0.046  -1.705   8.994  1.00  5.44           C
ATOM    577  CD1 ILE A  59      -2.424  -3.412   8.227  1.00 11.00           C
ATOM      0  H   ILE A  59       0.849  -4.460   6.080  1.00 72.42           H   new
ATOM      0  HA  ILE A  59       0.802  -1.657   6.169  1.00 72.25           H   new
ATOM      0  HB  ILE A  59       0.344  -3.740   8.332  1.00 35.34           H   new
ATOM      0 HG12 ILE A  59      -1.655  -1.978   6.834  1.00 64.32           H   new
ATOM      0 HG13 ILE A  59      -1.298  -3.643   6.420  1.00 64.32           H   new
ATOM      0 HG21 ILE A  59      -0.722  -1.952   9.727  1.00  5.44           H   new
ATOM      0 HG22 ILE A  59       1.018  -1.671   9.485  1.00  5.44           H   new
ATOM      0 HG23 ILE A  59      -0.172  -0.732   8.554  1.00  5.44           H   new
ATOM      0 HD11 ILE A  59      -3.380  -3.488   7.709  1.00 11.00           H   new
ATOM      0 HD12 ILE A  59      -2.148  -4.388   8.625  1.00 11.00           H   new
ATOM      0 HD13 ILE A  59      -2.511  -2.698   9.046  1.00 11.00           H   new
ATOM    589  N   LYS A  60       3.103  -3.178   8.077  1.00 12.50           N
ATOM    590  CA  LYS A  60       4.312  -2.989   8.886  1.00 52.24           C
ATOM    591  C   LYS A  60       5.491  -2.525   8.018  1.00 74.53           C
ATOM    592  O   LYS A  60       6.114  -1.509   8.328  1.00 11.22           O
ATOM    593  CB  LYS A  60       4.667  -4.278   9.668  1.00 55.42           C
ATOM    594  CG  LYS A  60       5.852  -4.101  10.646  1.00 62.13           C
ATOM    595  CD  LYS A  60       6.094  -5.327  11.552  1.00 32.43           C
ATOM    596  CE  LYS A  60       7.224  -5.085  12.559  1.00 50.34           C
ATOM    597  NZ  LYS A  60       7.456  -6.260  13.437  1.00 71.34           N
ATOM      0  H   LYS A  60       2.783  -4.145   8.023  1.00 12.50           H   new
ATOM      0  HA  LYS A  60       4.106  -2.205   9.614  1.00 52.24           H   new
ATOM      0  HB2 LYS A  60       3.791  -4.607  10.227  1.00 55.42           H   new
ATOM      0  HB3 LYS A  60       4.908  -5.069   8.958  1.00 55.42           H   new
ATOM      0  HG2 LYS A  60       6.757  -3.898  10.074  1.00 62.13           H   new
ATOM      0  HG3 LYS A  60       5.668  -3.228  11.272  1.00 62.13           H   new
ATOM      0  HD2 LYS A  60       5.176  -5.568  12.088  1.00 32.43           H   new
ATOM      0  HD3 LYS A  60       6.338  -6.191  10.934  1.00 32.43           H   new
ATOM      0  HE2 LYS A  60       8.142  -4.849  12.022  1.00 50.34           H   new
ATOM      0  HE3 LYS A  60       6.981  -4.218  13.173  1.00 50.34           H   new
ATOM      0  HZ1 LYS A  60       8.228  -6.050  14.101  1.00 71.34           H   new
ATOM      0  HZ2 LYS A  60       6.589  -6.471  13.971  1.00 71.34           H   new
ATOM      0  HZ3 LYS A  60       7.714  -7.083  12.855  1.00 71.34           H   new
ATOM    611  N   LYS A  61       5.748  -3.249   6.908  1.00 73.43           N
ATOM    612  CA  LYS A  61       6.885  -2.952   6.009  1.00 55.31           C
ATOM    613  C   LYS A  61       6.732  -1.587   5.320  1.00 34.51           C
ATOM    614  O   LYS A  61       7.709  -0.839   5.226  1.00  4.53           O
ATOM    615  CB  LYS A  61       7.083  -4.103   4.985  1.00 50.31           C
ATOM    616  CG  LYS A  61       7.588  -5.404   5.647  1.00  2.13           C
ATOM    617  CD  LYS A  61       7.704  -6.596   4.675  1.00 55.03           C
ATOM    618  CE  LYS A  61       8.235  -7.851   5.382  1.00 63.24           C
ATOM    619  NZ  LYS A  61       8.173  -9.052   4.513  1.00 64.42           N
ATOM      0  H   LYS A  61       5.183  -4.045   6.612  1.00 73.43           H   new
ATOM      0  HA  LYS A  61       7.787  -2.887   6.618  1.00 55.31           H   new
ATOM      0  HB2 LYS A  61       6.138  -4.300   4.478  1.00 50.31           H   new
ATOM      0  HB3 LYS A  61       7.795  -3.788   4.222  1.00 50.31           H   new
ATOM      0  HG2 LYS A  61       8.564  -5.217   6.095  1.00  2.13           H   new
ATOM      0  HG3 LYS A  61       6.911  -5.674   6.458  1.00  2.13           H   new
ATOM      0  HD2 LYS A  61       6.727  -6.808   4.240  1.00 55.03           H   new
ATOM      0  HD3 LYS A  61       8.369  -6.332   3.852  1.00 55.03           H   new
ATOM      0  HE2 LYS A  61       9.266  -7.682   5.693  1.00 63.24           H   new
ATOM      0  HE3 LYS A  61       7.654  -8.029   6.287  1.00 63.24           H   new
ATOM      0  HZ1 LYS A  61       8.588  -9.864   5.013  1.00 64.42           H   new
ATOM      0  HZ2 LYS A  61       7.181  -9.260   4.278  1.00 64.42           H   new
ATOM      0  HZ3 LYS A  61       8.706  -8.875   3.638  1.00 64.42           H   new
ATOM    633  N   ALA A  62       5.506  -1.244   4.876  1.00 65.31           N
ATOM    634  CA  ALA A  62       5.235   0.077   4.274  1.00 73.34           C
ATOM    635  C   ALA A  62       5.356   1.193   5.314  1.00 22.54           C
ATOM    636  O   ALA A  62       5.766   2.297   4.976  1.00 74.12           O
ATOM    637  CB  ALA A  62       3.869   0.122   3.605  1.00 60.23           C
ATOM      0  H   ALA A  62       4.693  -1.858   4.922  1.00 65.31           H   new
ATOM      0  HA  ALA A  62       5.990   0.238   3.504  1.00 73.34           H   new
ATOM      0  HB1 ALA A  62       3.707   1.110   3.174  1.00 60.23           H   new
ATOM      0  HB2 ALA A  62       3.825  -0.629   2.816  1.00 60.23           H   new
ATOM      0  HB3 ALA A  62       3.095  -0.083   4.344  1.00 60.23           H   new
ATOM    643  N   ASP A  63       4.998   0.896   6.574  1.00 55.24           N
ATOM    644  CA  ASP A  63       5.178   1.846   7.692  1.00 62.41           C
ATOM    645  C   ASP A  63       6.680   2.112   7.909  1.00 12.12           C
ATOM    646  O   ASP A  63       7.081   3.256   8.146  1.00 74.10           O
ATOM    647  CB  ASP A  63       4.507   1.309   8.978  1.00 33.02           C
ATOM    648  CG  ASP A  63       4.517   2.309  10.151  1.00 62.23           C
ATOM    649  OD1 ASP A  63       3.702   3.257  10.136  1.00 64.32           O
ATOM    650  OD2 ASP A  63       5.319   2.144  11.095  1.00 62.32           O
ATOM      0  H   ASP A  63       4.582   0.006   6.847  1.00 55.24           H   new
ATOM      0  HA  ASP A  63       4.694   2.790   7.443  1.00 62.41           H   new
ATOM      0  HB2 ASP A  63       3.475   1.039   8.752  1.00 33.02           H   new
ATOM      0  HB3 ASP A  63       5.015   0.396   9.287  1.00 33.02           H   new
ATOM    655  N   GLU A  64       7.508   1.047   7.769  1.00 71.25           N
ATOM    656  CA  GLU A  64       8.989   1.162   7.798  1.00 65.04           C
ATOM    657  C   GLU A  64       9.487   2.041   6.633  1.00 75.53           C
ATOM    658  O   GLU A  64      10.453   2.798   6.783  1.00 61.12           O
ATOM    659  CB  GLU A  64       9.670  -0.236   7.736  1.00 54.11           C
ATOM    660  CG  GLU A  64       9.222  -1.232   8.824  1.00 23.03           C
ATOM    661  CD  GLU A  64       9.411  -0.713  10.261  1.00 44.11           C
ATOM    662  OE1 GLU A  64      10.520  -0.869  10.818  1.00 51.11           O
ATOM    663  OE2 GLU A  64       8.455  -0.161  10.843  1.00 73.11           O
ATOM      0  H   GLU A  64       7.173   0.093   7.634  1.00 71.25           H   new
ATOM      0  HA  GLU A  64       9.263   1.632   8.742  1.00 65.04           H   new
ATOM      0  HB2 GLU A  64       9.472  -0.676   6.759  1.00 54.11           H   new
ATOM      0  HB3 GLU A  64      10.749  -0.101   7.812  1.00 54.11           H   new
ATOM      0  HG2 GLU A  64       8.170  -1.473   8.671  1.00 23.03           H   new
ATOM      0  HG3 GLU A  64       9.782  -2.160   8.707  1.00 23.03           H   new
ATOM    670  N   LYS A  65       8.816   1.925   5.461  1.00 32.24           N
ATOM    671  CA  LYS A  65       9.087   2.795   4.289  1.00 35.34           C
ATOM    672  C   LYS A  65       8.577   4.237   4.533  1.00 61.45           C
ATOM    673  O   LYS A  65       8.974   5.156   3.821  1.00 54.21           O
ATOM    674  CB  LYS A  65       8.423   2.231   2.995  1.00 70.43           C
ATOM    675  CG  LYS A  65       8.679   0.739   2.702  1.00 12.22           C
ATOM    676  CD  LYS A  65      10.160   0.374   2.474  1.00 41.32           C
ATOM    677  CE  LYS A  65      10.341  -1.140   2.240  1.00 53.35           C
ATOM    678  NZ  LYS A  65      11.742  -1.508   1.887  1.00 11.25           N
ATOM      0  H   LYS A  65       8.081   1.236   5.302  1.00 32.24           H   new
ATOM      0  HA  LYS A  65      10.168   2.814   4.153  1.00 35.34           H   new
ATOM      0  HB2 LYS A  65       7.347   2.388   3.064  1.00 70.43           H   new
ATOM      0  HB3 LYS A  65       8.776   2.814   2.145  1.00 70.43           H   new
ATOM      0  HG2 LYS A  65       8.297   0.148   3.534  1.00 12.22           H   new
ATOM      0  HG3 LYS A  65       8.108   0.452   1.819  1.00 12.22           H   new
ATOM      0  HD2 LYS A  65      10.543   0.924   1.614  1.00 41.32           H   new
ATOM      0  HD3 LYS A  65      10.749   0.682   3.338  1.00 41.32           H   new
ATOM      0  HE2 LYS A  65      10.044  -1.680   3.139  1.00 53.35           H   new
ATOM      0  HE3 LYS A  65       9.674  -1.462   1.440  1.00 53.35           H   new
ATOM      0  HZ1 LYS A  65      11.805  -2.536   1.741  1.00 11.25           H   new
ATOM      0  HZ2 LYS A  65      12.020  -1.017   1.014  1.00 11.25           H   new
ATOM      0  HZ3 LYS A  65      12.380  -1.228   2.660  1.00 11.25           H   new
ATOM    692  N   GLY A  66       7.697   4.423   5.541  1.00 32.52           N
ATOM    693  CA  GLY A  66       7.090   5.731   5.837  1.00 43.10           C
ATOM    694  C   GLY A  66       5.852   6.029   4.994  1.00 33.41           C
ATOM    695  O   GLY A  66       5.362   7.161   4.997  1.00 44.05           O
ATOM      0  H   GLY A  66       7.392   3.676   6.165  1.00 32.52           H   new
ATOM      0  HA2 GLY A  66       6.819   5.767   6.892  1.00 43.10           H   new
ATOM      0  HA3 GLY A  66       7.831   6.513   5.671  1.00 43.10           H   new
ATOM    699  N   ALA A  67       5.362   5.011   4.264  1.00 42.14           N
ATOM    700  CA  ALA A  67       4.160   5.106   3.423  1.00 63.51           C
ATOM    701  C   ALA A  67       2.901   5.310   4.276  1.00  4.31           C
ATOM    702  O   ALA A  67       2.736   4.663   5.319  1.00 64.04           O
ATOM    703  CB  ALA A  67       4.013   3.842   2.555  1.00 14.23           C
ATOM      0  H   ALA A  67       5.797   4.089   4.243  1.00 42.14           H   new
ATOM      0  HA  ALA A  67       4.273   5.973   2.772  1.00 63.51           H   new
ATOM      0  HB1 ALA A  67       3.119   3.927   1.938  1.00 14.23           H   new
ATOM      0  HB2 ALA A  67       4.888   3.737   1.914  1.00 14.23           H   new
ATOM      0  HB3 ALA A  67       3.928   2.966   3.199  1.00 14.23           H   new
ATOM    709  N   ASP A  68       2.023   6.211   3.821  1.00 73.43           N
ATOM    710  CA  ASP A  68       0.742   6.497   4.492  1.00 21.13           C
ATOM    711  C   ASP A  68      -0.342   5.523   3.995  1.00 61.04           C
ATOM    712  O   ASP A  68      -1.260   5.171   4.743  1.00 12.34           O
ATOM    713  CB  ASP A  68       0.323   7.974   4.248  1.00 40.54           C
ATOM    714  CG  ASP A  68       1.298   8.990   4.889  1.00  4.24           C
ATOM    715  OD1 ASP A  68       2.317   9.336   4.247  1.00 53.35           O
ATOM    716  OD2 ASP A  68       1.056   9.429   6.038  1.00 61.21           O
ATOM      0  H   ASP A  68       2.177   6.764   2.978  1.00 73.43           H   new
ATOM      0  HA  ASP A  68       0.862   6.355   5.566  1.00 21.13           H   new
ATOM      0  HB2 ASP A  68       0.268   8.158   3.175  1.00 40.54           H   new
ATOM      0  HB3 ASP A  68      -0.677   8.134   4.651  1.00 40.54           H   new
ATOM    721  N   VAL A  69      -0.223   5.079   2.722  1.00 71.14           N
ATOM    722  CA  VAL A  69      -1.158   4.102   2.099  1.00 51.40           C
ATOM    723  C   VAL A  69      -0.366   2.976   1.389  1.00 61.53           C
ATOM    724  O   VAL A  69       0.739   3.200   0.891  1.00 53.23           O
ATOM    725  CB  VAL A  69      -2.153   4.792   1.072  1.00 62.45           C
ATOM    726  CG1 VAL A  69      -3.118   3.768   0.413  1.00 35.35           C
ATOM    727  CG2 VAL A  69      -2.955   5.927   1.746  1.00 22.10           C
ATOM      0  H   VAL A  69       0.521   5.385   2.095  1.00 71.14           H   new
ATOM      0  HA  VAL A  69      -1.758   3.676   2.903  1.00 51.40           H   new
ATOM      0  HB  VAL A  69      -1.537   5.222   0.282  1.00 62.45           H   new
ATOM      0 HG11 VAL A  69      -3.779   4.286  -0.281  1.00 35.35           H   new
ATOM      0 HG12 VAL A  69      -2.540   3.019  -0.127  1.00 35.35           H   new
ATOM      0 HG13 VAL A  69      -3.713   3.280   1.185  1.00 35.35           H   new
ATOM      0 HG21 VAL A  69      -3.627   6.380   1.017  1.00 22.10           H   new
ATOM      0 HG22 VAL A  69      -3.537   5.520   2.573  1.00 22.10           H   new
ATOM      0 HG23 VAL A  69      -2.267   6.683   2.124  1.00 22.10           H   new
ATOM    737  N   VAL A  70      -0.948   1.762   1.389  1.00 34.20           N
ATOM    738  CA  VAL A  70      -0.450   0.588   0.651  1.00 12.13           C
ATOM    739  C   VAL A  70      -1.556   0.175  -0.347  1.00 51.42           C
ATOM    740  O   VAL A  70      -2.706  -0.024   0.065  1.00 62.41           O
ATOM    741  CB  VAL A  70      -0.125  -0.620   1.615  1.00 62.53           C
ATOM    742  CG1 VAL A  70       0.822  -1.636   0.946  1.00 63.24           C
ATOM    743  CG2 VAL A  70       0.419  -0.142   2.977  1.00 24.13           C
ATOM      0  H   VAL A  70      -1.799   1.567   1.916  1.00 34.20           H   new
ATOM      0  HA  VAL A  70       0.478   0.846   0.141  1.00 12.13           H   new
ATOM      0  HB  VAL A  70      -1.065  -1.134   1.814  1.00 62.53           H   new
ATOM      0 HG11 VAL A  70       1.025  -2.454   1.637  1.00 63.24           H   new
ATOM      0 HG12 VAL A  70       0.354  -2.030   0.044  1.00 63.24           H   new
ATOM      0 HG13 VAL A  70       1.758  -1.143   0.683  1.00 63.24           H   new
ATOM      0 HG21 VAL A  70       0.629  -1.005   3.608  1.00 24.13           H   new
ATOM      0 HG22 VAL A  70       1.336   0.427   2.823  1.00 24.13           H   new
ATOM      0 HG23 VAL A  70      -0.323   0.491   3.463  1.00 24.13           H   new
ATOM    753  N   VAL A  71      -1.215   0.053  -1.642  1.00 44.30           N
ATOM    754  CA  VAL A  71      -2.207  -0.070  -2.740  1.00 54.52           C
ATOM    755  C   VAL A  71      -2.083  -1.431  -3.440  1.00  4.41           C
ATOM    756  O   VAL A  71      -1.158  -1.631  -4.236  1.00 43.01           O
ATOM    757  CB  VAL A  71      -2.023   1.099  -3.776  1.00 14.55           C
ATOM    758  CG1 VAL A  71      -3.063   1.035  -4.922  1.00 22.24           C
ATOM    759  CG2 VAL A  71      -2.061   2.457  -3.048  1.00 35.45           C
ATOM      0  H   VAL A  71      -0.247   0.036  -1.963  1.00 44.30           H   new
ATOM      0  HA  VAL A  71      -3.205  -0.001  -2.308  1.00 54.52           H   new
ATOM      0  HB  VAL A  71      -1.046   0.983  -4.246  1.00 14.55           H   new
ATOM      0 HG11 VAL A  71      -2.896   1.862  -5.612  1.00 22.24           H   new
ATOM      0 HG12 VAL A  71      -2.958   0.091  -5.456  1.00 22.24           H   new
ATOM      0 HG13 VAL A  71      -4.068   1.107  -4.506  1.00 22.24           H   new
ATOM      0 HG21 VAL A  71      -1.933   3.262  -3.772  1.00 35.45           H   new
ATOM      0 HG22 VAL A  71      -3.020   2.572  -2.543  1.00 35.45           H   new
ATOM      0 HG23 VAL A  71      -1.257   2.499  -2.313  1.00 35.45           H   new
ATOM    769  N   LEU A  72      -3.019  -2.356  -3.131  1.00 64.44           N
ATOM    770  CA  LEU A  72      -2.992  -3.744  -3.648  1.00 71.14           C
ATOM    771  C   LEU A  72      -3.138  -3.771  -5.190  1.00 33.13           C
ATOM    772  O   LEU A  72      -4.251  -3.664  -5.728  1.00 21.52           O
ATOM    773  CB  LEU A  72      -4.097  -4.606  -2.967  1.00 75.42           C
ATOM    774  CG  LEU A  72      -4.028  -4.729  -1.406  1.00 61.11           C
ATOM    775  CD1 LEU A  72      -5.131  -5.669  -0.858  1.00 32.34           C
ATOM    776  CD2 LEU A  72      -2.629  -5.177  -0.931  1.00 22.23           C
ATOM      0  H   LEU A  72      -3.812  -2.163  -2.519  1.00 64.44           H   new
ATOM      0  HA  LEU A  72      -2.022  -4.176  -3.401  1.00 71.14           H   new
ATOM      0  HB2 LEU A  72      -5.068  -4.188  -3.233  1.00 75.42           H   new
ATOM      0  HB3 LEU A  72      -4.055  -5.610  -3.390  1.00 75.42           H   new
ATOM      0  HG  LEU A  72      -4.211  -3.734  -0.999  1.00 61.11           H   new
ATOM      0 HD11 LEU A  72      -5.051  -5.729   0.227  1.00 32.34           H   new
ATOM      0 HD12 LEU A  72      -6.111  -5.276  -1.129  1.00 32.34           H   new
ATOM      0 HD13 LEU A  72      -5.008  -6.664  -1.287  1.00 32.34           H   new
ATOM      0 HD21 LEU A  72      -2.620  -5.251   0.156  1.00 22.23           H   new
ATOM      0 HD22 LEU A  72      -2.392  -6.149  -1.363  1.00 22.23           H   new
ATOM      0 HD23 LEU A  72      -1.885  -4.447  -1.251  1.00 22.23           H   new
ATOM    788  N   THR A  73      -1.987  -3.885  -5.883  1.00  1.12           N
ATOM    789  CA  THR A  73      -1.915  -3.878  -7.358  1.00 33.51           C
ATOM    790  C   THR A  73      -2.147  -5.290  -7.934  1.00 42.43           C
ATOM    791  O   THR A  73      -2.651  -5.437  -9.054  1.00 52.24           O
ATOM    792  CB  THR A  73      -0.550  -3.294  -7.861  1.00 22.14           C
ATOM    793  OG1 THR A  73      -0.550  -3.161  -9.294  1.00 42.03           O
ATOM    794  CG2 THR A  73       0.663  -4.135  -7.420  1.00 74.43           C
ATOM      0  H   THR A  73      -1.077  -3.985  -5.433  1.00  1.12           H   new
ATOM      0  HA  THR A  73      -2.712  -3.228  -7.719  1.00 33.51           H   new
ATOM      0  HB  THR A  73      -0.451  -2.312  -7.399  1.00 22.14           H   new
ATOM      0  HG1 THR A  73       0.310  -2.794  -9.588  1.00 42.03           H   new
ATOM      0 HG21 THR A  73       1.578  -3.680  -7.799  1.00 74.43           H   new
ATOM      0 HG22 THR A  73       0.701  -4.175  -6.331  1.00 74.43           H   new
ATOM      0 HG23 THR A  73       0.569  -5.146  -7.817  1.00 74.43           H   new
ATOM    939  N   GLY A  83       1.227 -10.883  -2.623  1.00 60.24           N
ATOM    940  CA  GLY A  83       1.165  -9.713  -1.748  1.00 51.32           C
ATOM    941  C   GLY A  83       1.970  -8.536  -2.262  1.00 32.23           C
ATOM    942  O   GLY A  83       2.790  -7.987  -1.529  1.00 64.02           O
ATOM      0  HA2 GLY A  83       0.125  -9.410  -1.632  1.00 51.32           H   new
ATOM      0  HA3 GLY A  83       1.529  -9.989  -0.758  1.00 51.32           H   new
ATOM    946  N   THR A  84       1.725  -8.142  -3.525  1.00 71.32           N
ATOM    947  CA  THR A  84       2.410  -7.000  -4.148  1.00  0.42           C
ATOM    948  C   THR A  84       1.475  -5.788  -4.141  1.00 11.52           C
ATOM    949  O   THR A  84       0.294  -5.882  -4.533  1.00  4.40           O
ATOM    950  CB  THR A  84       2.857  -7.316  -5.612  1.00 33.10           C
ATOM    951  OG1 THR A  84       3.607  -8.527  -5.624  1.00 61.33           O
ATOM    952  CG2 THR A  84       3.710  -6.190  -6.224  1.00 72.11           C
ATOM      0  H   THR A  84       1.052  -8.604  -4.136  1.00 71.32           H   new
ATOM      0  HA  THR A  84       3.309  -6.787  -3.570  1.00  0.42           H   new
ATOM      0  HB  THR A  84       1.954  -7.411  -6.215  1.00 33.10           H   new
ATOM      0  HG1 THR A  84       3.888  -8.729  -6.541  1.00 61.33           H   new
ATOM      0 HG21 THR A  84       3.994  -6.460  -7.241  1.00 72.11           H   new
ATOM      0 HG22 THR A  84       3.133  -5.265  -6.242  1.00 72.11           H   new
ATOM      0 HG23 THR A  84       4.608  -6.046  -5.623  1.00 72.11           H   new
ATOM    960  N   ALA A  85       2.018  -4.657  -3.688  1.00 24.12           N
ATOM    961  CA  ALA A  85       1.266  -3.433  -3.491  1.00 20.52           C
ATOM    962  C   ALA A  85       2.183  -2.214  -3.650  1.00 11.14           C
ATOM    963  O   ALA A  85       3.321  -2.221  -3.151  1.00 41.34           O
ATOM    964  CB  ALA A  85       0.610  -3.455  -2.103  1.00  5.40           C
ATOM      0  H   ALA A  85       3.005  -4.572  -3.447  1.00 24.12           H   new
ATOM      0  HA  ALA A  85       0.483  -3.361  -4.246  1.00 20.52           H   new
ATOM      0  HB1 ALA A  85       0.044  -2.535  -1.953  1.00  5.40           H   new
ATOM      0  HB2 ALA A  85      -0.062  -4.310  -2.032  1.00  5.40           H   new
ATOM      0  HB3 ALA A  85       1.381  -3.535  -1.337  1.00  5.40           H   new
ATOM    970  N   ASP A  86       1.687  -1.184  -4.362  1.00 62.22           N
ATOM    971  CA  ASP A  86       2.416   0.078  -4.546  1.00 50.11           C
ATOM    972  C   ASP A  86       2.263   0.918  -3.272  1.00 54.45           C
ATOM    973  O   ASP A  86       1.146   1.143  -2.808  1.00 51.53           O
ATOM    974  CB  ASP A  86       1.875   0.882  -5.756  1.00 62.10           C
ATOM    975  CG  ASP A  86       1.877   0.106  -7.078  1.00 71.31           C
ATOM    976  OD1 ASP A  86       2.934   0.022  -7.735  1.00 21.23           O
ATOM    977  OD2 ASP A  86       0.818  -0.405  -7.473  1.00 32.40           O
ATOM      0  H   ASP A  86       0.776  -1.206  -4.821  1.00 62.22           H   new
ATOM      0  HA  ASP A  86       3.464  -0.152  -4.740  1.00 50.11           H   new
ATOM      0  HB2 ASP A  86       0.857   1.204  -5.538  1.00 62.10           H   new
ATOM      0  HB3 ASP A  86       2.475   1.784  -5.876  1.00 62.10           H   new
ATOM    982  N   ILE A  87       3.378   1.369  -2.711  1.00 33.23           N
ATOM    983  CA  ILE A  87       3.380   2.186  -1.489  1.00  4.34           C
ATOM    984  C   ILE A  87       3.373   3.683  -1.851  1.00  4.13           C
ATOM    985  O   ILE A  87       4.089   4.134  -2.767  1.00  5.23           O
ATOM    986  CB  ILE A  87       4.592   1.809  -0.556  1.00 72.23           C
ATOM    987  CG1 ILE A  87       5.938   1.845  -1.335  1.00  5.42           C
ATOM    988  CG2 ILE A  87       4.354   0.422   0.077  1.00 54.41           C
ATOM    989  CD1 ILE A  87       7.183   1.564  -0.521  1.00 13.42           C
ATOM      0  H   ILE A  87       4.309   1.183  -3.084  1.00 33.23           H   new
ATOM      0  HA  ILE A  87       2.471   1.976  -0.925  1.00  4.34           H   new
ATOM      0  HB  ILE A  87       4.660   2.551   0.240  1.00 72.23           H   new
ATOM      0 HG12 ILE A  87       5.886   1.118  -2.145  1.00  5.42           H   new
ATOM      0 HG13 ILE A  87       6.043   2.828  -1.795  1.00  5.42           H   new
ATOM      0 HG21 ILE A  87       5.195   0.167   0.721  1.00 54.41           H   new
ATOM      0 HG22 ILE A  87       3.438   0.444   0.668  1.00 54.41           H   new
ATOM      0 HG23 ILE A  87       4.260  -0.326  -0.710  1.00 54.41           H   new
ATOM      0 HD11 ILE A  87       8.059   1.616  -1.167  1.00 13.42           H   new
ATOM      0 HD12 ILE A  87       7.273   2.305   0.273  1.00 13.42           H   new
ATOM      0 HD13 ILE A  87       7.114   0.569  -0.082  1.00 13.42           H   new
ATOM   1001  N   TYR A  88       2.519   4.436  -1.140  1.00 33.35           N
ATOM   1002  CA  TYR A  88       2.284   5.869  -1.366  1.00 61.21           C
ATOM   1003  C   TYR A  88       2.384   6.640  -0.050  1.00 62.32           C
ATOM   1004  O   TYR A  88       2.045   6.120   1.018  1.00 45.11           O
ATOM   1005  CB  TYR A  88       0.871   6.123  -1.982  1.00  4.23           C
ATOM   1006  CG  TYR A  88       0.711   5.730  -3.463  1.00 63.20           C
ATOM   1007  CD1 TYR A  88       0.646   4.399  -3.861  1.00 72.54           C
ATOM   1008  CD2 TYR A  88       0.593   6.702  -4.461  1.00 73.42           C
ATOM   1009  CE1 TYR A  88       0.480   4.053  -5.185  1.00 63.11           C
ATOM   1010  CE2 TYR A  88       0.423   6.358  -5.785  1.00 34.43           C
ATOM   1011  CZ  TYR A  88       0.363   5.029  -6.141  1.00 55.01           C
ATOM   1012  OH  TYR A  88       0.195   4.674  -7.462  1.00  1.05           O
ATOM      0  H   TYR A  88       1.961   4.056  -0.375  1.00 33.35           H   new
ATOM      0  HA  TYR A  88       3.047   6.215  -2.063  1.00 61.21           H   new
ATOM      0  HB2 TYR A  88       0.135   5.572  -1.397  1.00  4.23           H   new
ATOM      0  HB3 TYR A  88       0.634   7.182  -1.878  1.00  4.23           H   new
ATOM      0  HD1 TYR A  88       0.727   3.620  -3.117  1.00 72.54           H   new
ATOM      0  HD2 TYR A  88       0.636   7.746  -4.188  1.00 73.42           H   new
ATOM      0  HE1 TYR A  88       0.442   3.012  -5.470  1.00 63.11           H   new
ATOM      0  HE2 TYR A  88       0.337   7.126  -6.539  1.00 34.43           H   new
ATOM      0  HH  TYR A  88       0.128   5.482  -8.012  1.00  1.05           H   new
ATOM   1022  N   LYS A  89       2.807   7.906  -0.156  1.00 73.43           N
ATOM   1023  CA  LYS A  89       2.770   8.870   0.955  1.00 21.45           C
ATOM   1024  C   LYS A  89       1.739   9.950   0.657  1.00 55.32           C
ATOM   1025  O   LYS A  89       1.479  10.259  -0.507  1.00 45.35           O
ATOM   1026  CB  LYS A  89       4.162   9.513   1.200  1.00  4.22           C
ATOM   1027  CG  LYS A  89       5.145   8.608   1.977  1.00 13.10           C
ATOM   1028  CD  LYS A  89       6.392   9.362   2.484  1.00 73.32           C
ATOM   1029  CE  LYS A  89       6.042  10.496   3.472  1.00 52.54           C
ATOM   1030  NZ  LYS A  89       5.215  10.015   4.622  1.00 52.43           N
ATOM      0  H   LYS A  89       3.187   8.294  -1.019  1.00 73.43           H   new
ATOM      0  HA  LYS A  89       2.490   8.334   1.862  1.00 21.45           H   new
ATOM      0  HB2 LYS A  89       4.605   9.772   0.239  1.00  4.22           H   new
ATOM      0  HB3 LYS A  89       4.029  10.444   1.751  1.00  4.22           H   new
ATOM      0  HG2 LYS A  89       4.626   8.164   2.827  1.00 13.10           H   new
ATOM      0  HG3 LYS A  89       5.461   7.788   1.332  1.00 13.10           H   new
ATOM      0  HD2 LYS A  89       7.065   8.656   2.971  1.00 73.32           H   new
ATOM      0  HD3 LYS A  89       6.930   9.780   1.633  1.00 73.32           H   new
ATOM      0  HE2 LYS A  89       6.962  10.941   3.851  1.00 52.54           H   new
ATOM      0  HE3 LYS A  89       5.502  11.281   2.943  1.00 52.54           H   new
ATOM      0  HZ1 LYS A  89       5.441  10.573   5.470  1.00 52.43           H   new
ATOM      0  HZ2 LYS A  89       4.206  10.125   4.394  1.00 52.43           H   new
ATOM      0  HZ3 LYS A  89       5.422   9.012   4.803  1.00 52.43           H   new
ATOM   1044  N   LYS A  90       1.152  10.514   1.719  1.00 13.11           N
ATOM   1045  CA  LYS A  90       0.162  11.591   1.595  1.00 74.31           C
ATOM   1046  C   LYS A  90       0.873  12.888   1.205  1.00 23.54           C
ATOM   1047  O   LYS A  90       2.031  13.105   1.597  1.00  1.24           O
ATOM   1048  CB  LYS A  90      -0.647  11.780   2.913  1.00 14.25           C
ATOM   1049  CG  LYS A  90      -2.014  12.500   2.719  1.00 34.02           C
ATOM   1050  CD  LYS A  90      -2.595  13.093   4.024  1.00 72.11           C
ATOM   1051  CE  LYS A  90      -1.810  14.328   4.502  1.00 24.54           C
ATOM   1052  NZ  LYS A  90      -1.884  15.457   3.524  1.00 10.15           N
ATOM      0  H   LYS A  90       1.348  10.240   2.682  1.00 13.11           H   new
ATOM      0  HA  LYS A  90      -0.552  11.320   0.817  1.00 74.31           H   new
ATOM      0  HB2 LYS A  90      -0.823  10.803   3.362  1.00 14.25           H   new
ATOM      0  HB3 LYS A  90      -0.044  12.351   3.619  1.00 14.25           H   new
ATOM      0  HG2 LYS A  90      -1.893  13.300   1.989  1.00 34.02           H   new
ATOM      0  HG3 LYS A  90      -2.731  11.793   2.301  1.00 34.02           H   new
ATOM      0  HD2 LYS A  90      -3.638  13.367   3.864  1.00 72.11           H   new
ATOM      0  HD3 LYS A  90      -2.582  12.332   4.804  1.00 72.11           H   new
ATOM      0  HE2 LYS A  90      -2.203  14.656   5.464  1.00 24.54           H   new
ATOM      0  HE3 LYS A  90      -0.767  14.055   4.661  1.00 24.54           H   new
ATOM      0  HZ1 LYS A  90      -0.940  15.634   3.126  1.00 10.15           H   new
ATOM      0  HZ2 LYS A  90      -2.542  15.210   2.757  1.00 10.15           H   new
ATOM      0  HZ3 LYS A  90      -2.222  16.313   4.007  1.00 10.15           H   new
ATOM   1066  N   LYS A  91       0.205  13.721   0.395  1.00 21.31           N
ATOM   1067  CA  LYS A  91       0.737  15.035   0.013  1.00 30.15           C
ATOM   1068  C   LYS A  91       0.716  15.984   1.225  1.00 74.23           C
ATOM   1069  O   LYS A  91      -0.266  16.684   1.490  1.00 52.53           O
ATOM   1070  CB  LYS A  91      -0.013  15.614  -1.213  1.00 44.22           C
ATOM   1071  CG  LYS A  91       0.291  14.847  -2.517  1.00 72.21           C
ATOM   1072  CD  LYS A  91      -0.439  15.422  -3.748  1.00 42.21           C
ATOM   1073  CE  LYS A  91      -0.044  14.699  -5.048  1.00 44.41           C
ATOM   1074  NZ  LYS A  91       1.404  14.850  -5.359  1.00 34.14           N
ATOM      0  H   LYS A  91      -0.707  13.507  -0.009  1.00 21.31           H   new
ATOM      0  HA  LYS A  91       1.776  14.920  -0.296  1.00 30.15           H   new
ATOM      0  HB2 LYS A  91      -1.086  15.587  -1.023  1.00 44.22           H   new
ATOM      0  HB3 LYS A  91       0.262  16.661  -1.340  1.00 44.22           H   new
ATOM      0  HG2 LYS A  91       1.366  14.866  -2.699  1.00 72.21           H   new
ATOM      0  HG3 LYS A  91       0.007  13.802  -2.390  1.00 72.21           H   new
ATOM      0  HD2 LYS A  91      -1.516  15.339  -3.601  1.00 42.21           H   new
ATOM      0  HD3 LYS A  91      -0.210  16.484  -3.841  1.00 42.21           H   new
ATOM      0  HE2 LYS A  91      -0.286  13.640  -4.960  1.00 44.41           H   new
ATOM      0  HE3 LYS A  91      -0.634  15.094  -5.875  1.00 44.41           H   new
ATOM      0  HZ1 LYS A  91       1.586  14.528  -6.331  1.00 34.14           H   new
ATOM      0  HZ2 LYS A  91       1.676  15.850  -5.269  1.00 34.14           H   new
ATOM      0  HZ3 LYS A  91       1.963  14.278  -4.695  1.00 34.14           H   new