USER  MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=22
USER  MOD reduce.3.24.130724 removed 405 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  36 TYR OH  :   rot  180:sc=  0.0122
USER  MOD Set 1.2: A  41 GLN     :      amide:sc=    0.95  X(o=0.96,f=0.94)
USER  MOD Set 2.1: A  18 TYR OH  :   rot  -59:sc=       2
USER  MOD Set 2.2: A  43 TYR OH  :   rot  171:sc=    0.97
USER  MOD Set 3.1: A  17 THR OG1 :   rot -140:sc=   0.038
USER  MOD Set 3.2: A  31 GLN     :      amide:sc=  -0.273  K(o=-0.24,f=-3.5!)
USER  MOD Single : A  10 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  16 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  19 GLN     :      amide:sc=       0  K(o=0,f=-1.1)
USER  MOD Single : A  20 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  23 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  24 SER OG  :   rot  180:sc= -0.0882
USER  MOD Single : A  26 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  27 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  28 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  32 THR OG1 :   rot   93:sc=  -0.347
USER  MOD Single : A  35 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  39 ASN     :      amide:sc= -0.0759  X(o=-0.076,f=-0.53)
USER  MOD Single : A  40 SER OG  :   rot  180:sc= -0.0912
USER  MOD Single : A  42 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  44 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  45 ASN     :      amide:sc= -0.0276  K(o=-0.028,f=-1.1)
USER  MOD Single : A  47 GLN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A  48 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  49 GLN     :      amide:sc=       0  K(o=0,f=-0.74)
USER  MOD Single : A  50 GLN     :      amide:sc=  0.0425  X(o=0.042,f=-0.4)
USER  MOD Single : A  51 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  53 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  60 THR OG1 :   rot   47:sc=   0.719
USER  MOD Single : A  61 TYR OH  :   rot  180:sc=       0
USER  MOD -----------------------------------------------------------------
ATOM    134  N   TYR A  10      14.612   6.383   0.966  1.00  0.00           N
ATOM    135  CA  TYR A  10      14.191   4.990   0.860  1.00  0.00           C
ATOM    136  C   TYR A  10      15.005   4.276  -0.233  1.00  0.00           C
ATOM    137  O   TYR A  10      15.587   4.954  -1.091  1.00  0.00           O
ATOM    138  CB  TYR A  10      12.679   4.947   0.611  1.00  0.00           C
ATOM    139  CG  TYR A  10      11.839   5.093   1.870  1.00  0.00           C
ATOM    140  CD1 TYR A  10      11.512   6.367   2.374  1.00  0.00           C
ATOM    141  CD2 TYR A  10      11.385   3.946   2.549  1.00  0.00           C
ATOM    142  CE1 TYR A  10      10.713   6.493   3.525  1.00  0.00           C
ATOM    143  CE2 TYR A  10      10.590   4.062   3.703  1.00  0.00           C
ATOM    144  CZ  TYR A  10      10.246   5.341   4.197  1.00  0.00           C
ATOM    145  OH  TYR A  10       9.460   5.471   5.304  1.00  0.00           O
ATOM      0  HA  TYR A  10      14.387   4.453   1.788  1.00  0.00           H   new
ATOM      0  HB2 TYR A  10      12.413   5.743  -0.085  1.00  0.00           H   new
ATOM      0  HB3 TYR A  10      12.428   4.003   0.127  1.00  0.00           H   new
ATOM      0  HD1 TYR A  10      11.877   7.252   1.874  1.00  0.00           H   new
ATOM      0  HD2 TYR A  10      11.650   2.966   2.179  1.00  0.00           H   new
ATOM      0  HE1 TYR A  10      10.456   7.474   3.896  1.00  0.00           H   new
ATOM      0  HE2 TYR A  10      10.243   3.175   4.211  1.00  0.00           H   new
ATOM      0  HH  TYR A  10       9.225   4.583   5.644  1.00  0.00           H   new
ATOM    155  N   PRO A  11      15.052   2.928  -0.235  1.00  0.00           N
ATOM    156  CA  PRO A  11      15.662   2.138  -1.302  1.00  0.00           C
ATOM    157  C   PRO A  11      14.861   2.309  -2.599  1.00  0.00           C
ATOM    158  O   PRO A  11      13.745   2.828  -2.565  1.00  0.00           O
ATOM    159  CB  PRO A  11      15.664   0.690  -0.796  1.00  0.00           C
ATOM    160  CG  PRO A  11      14.488   0.644   0.174  1.00  0.00           C
ATOM    161  CD  PRO A  11      14.476   2.048   0.769  1.00  0.00           C
ATOM      0  HA  PRO A  11      16.679   2.454  -1.535  1.00  0.00           H   new
ATOM      0  HB2 PRO A  11      15.537  -0.020  -1.613  1.00  0.00           H   new
ATOM      0  HB3 PRO A  11      16.602   0.440  -0.300  1.00  0.00           H   new
ATOM      0  HG2 PRO A  11      13.553   0.415  -0.337  1.00  0.00           H   new
ATOM      0  HG3 PRO A  11      14.628  -0.118   0.941  1.00  0.00           H   new
ATOM      0  HD2 PRO A  11      13.460   2.355   1.017  1.00  0.00           H   new
ATOM      0  HD3 PRO A  11      15.054   2.083   1.693  1.00  0.00           H   new
ATOM    169  N   VAL A  12      15.382   1.836  -3.731  1.00  0.00           N
ATOM    170  CA  VAL A  12      14.702   1.890  -5.023  1.00  0.00           C
ATOM    171  C   VAL A  12      14.348   0.447  -5.425  1.00  0.00           C
ATOM    172  O   VAL A  12      15.149  -0.216  -6.087  1.00  0.00           O
ATOM    173  CB  VAL A  12      15.548   2.667  -6.054  1.00  0.00           C
ATOM    174  CG1 VAL A  12      14.795   2.848  -7.379  1.00  0.00           C
ATOM    175  CG2 VAL A  12      15.924   4.065  -5.531  1.00  0.00           C
ATOM      0  H   VAL A  12      16.302   1.398  -3.776  1.00  0.00           H   new
ATOM      0  HA  VAL A  12      13.769   2.451  -4.970  1.00  0.00           H   new
ATOM      0  HB  VAL A  12      16.448   2.075  -6.218  1.00  0.00           H   new
ATOM      0 HG11 VAL A  12      15.421   3.399  -8.081  1.00  0.00           H   new
ATOM      0 HG12 VAL A  12      14.555   1.871  -7.797  1.00  0.00           H   new
ATOM      0 HG13 VAL A  12      13.874   3.403  -7.201  1.00  0.00           H   new
ATOM      0 HG21 VAL A  12      16.519   4.586  -6.281  1.00  0.00           H   new
ATOM      0 HG22 VAL A  12      15.017   4.634  -5.329  1.00  0.00           H   new
ATOM      0 HG23 VAL A  12      16.503   3.966  -4.613  1.00  0.00           H   new
ATOM    185  N   PRO A  13      13.201  -0.087  -4.962  1.00  0.00           N
ATOM    186  CA  PRO A  13      12.729  -1.419  -5.317  1.00  0.00           C
ATOM    187  C   PRO A  13      12.215  -1.454  -6.761  1.00  0.00           C
ATOM    188  O   PRO A  13      12.192  -0.425  -7.442  1.00  0.00           O
ATOM    189  CB  PRO A  13      11.604  -1.705  -4.328  1.00  0.00           C
ATOM    190  CG  PRO A  13      11.002  -0.330  -4.064  1.00  0.00           C
ATOM    191  CD  PRO A  13      12.238   0.559  -4.084  1.00  0.00           C
ATOM      0  HA  PRO A  13      13.522  -2.165  -5.264  1.00  0.00           H   new
ATOM      0  HB2 PRO A  13      10.868  -2.392  -4.746  1.00  0.00           H   new
ATOM      0  HB3 PRO A  13      11.981  -2.160  -3.412  1.00  0.00           H   new
ATOM      0  HG2 PRO A  13      10.281  -0.045  -4.830  1.00  0.00           H   new
ATOM      0  HG3 PRO A  13      10.483  -0.288  -3.106  1.00  0.00           H   new
ATOM      0  HD2 PRO A  13      11.992   1.557  -4.447  1.00  0.00           H   new
ATOM      0  HD3 PRO A  13      12.647   0.677  -3.080  1.00  0.00           H   new
ATOM    199  N   ASP A  14      11.779  -2.628  -7.236  1.00  0.00           N
ATOM    200  CA  ASP A  14      11.326  -2.755  -8.631  1.00  0.00           C
ATOM    201  C   ASP A  14      10.420  -3.965  -8.867  1.00  0.00           C
ATOM    202  O   ASP A  14      10.424  -4.575  -9.935  1.00  0.00           O
ATOM    203  CB  ASP A  14      12.592  -2.888  -9.506  1.00  0.00           C
ATOM    204  CG  ASP A  14      12.351  -2.428 -10.946  1.00  0.00           C
ATOM    205  OD1 ASP A  14      11.782  -1.322 -11.118  1.00  0.00           O
ATOM    206  OD2 ASP A  14      12.826  -3.102 -11.888  1.00  0.00           O
ATOM      0  H   ASP A  14      11.730  -3.488  -6.690  1.00  0.00           H   new
ATOM      0  HA  ASP A  14      10.732  -1.877  -8.883  1.00  0.00           H   new
ATOM      0  HB2 ASP A  14      13.398  -2.299  -9.068  1.00  0.00           H   new
ATOM      0  HB3 ASP A  14      12.922  -3.927  -9.509  1.00  0.00           H   new
ATOM    211  N   VAL A  15       9.641  -4.320  -7.840  1.00  0.00           N
ATOM    212  CA  VAL A  15       8.766  -5.506  -7.727  1.00  0.00           C
ATOM    213  C   VAL A  15       9.431  -6.806  -8.256  1.00  0.00           C
ATOM    214  O   VAL A  15       8.780  -7.783  -8.638  1.00  0.00           O
ATOM    215  CB  VAL A  15       7.324  -5.167  -8.152  1.00  0.00           C
ATOM    216  CG1 VAL A  15       7.240  -4.832  -9.632  1.00  0.00           C
ATOM    217  CG2 VAL A  15       6.262  -6.196  -7.735  1.00  0.00           C
ATOM      0  H   VAL A  15       9.598  -3.746  -6.998  1.00  0.00           H   new
ATOM      0  HA  VAL A  15       8.639  -5.786  -6.681  1.00  0.00           H   new
ATOM      0  HB  VAL A  15       7.071  -4.273  -7.582  1.00  0.00           H   new
ATOM      0 HG11 VAL A  15       6.208  -4.599  -9.894  1.00  0.00           H   new
ATOM      0 HG12 VAL A  15       7.873  -3.971  -9.847  1.00  0.00           H   new
ATOM      0 HG13 VAL A  15       7.579  -5.686 -10.218  1.00  0.00           H   new
ATOM      0 HG21 VAL A  15       5.282  -5.867  -8.080  1.00  0.00           H   new
ATOM      0 HG22 VAL A  15       6.498  -7.163  -8.180  1.00  0.00           H   new
ATOM      0 HG23 VAL A  15       6.252  -6.289  -6.649  1.00  0.00           H   new
ATOM    227  N   SER A  16      10.762  -6.812  -8.274  1.00  0.00           N
ATOM    228  CA  SER A  16      11.644  -7.842  -8.811  1.00  0.00           C
ATOM    229  C   SER A  16      12.424  -8.492  -7.660  1.00  0.00           C
ATOM    230  O   SER A  16      13.021  -9.557  -7.814  1.00  0.00           O
ATOM    231  CB  SER A  16      12.552  -7.197  -9.867  1.00  0.00           C
ATOM    232  OG  SER A  16      13.170  -8.164 -10.691  1.00  0.00           O
ATOM      0  H   SER A  16      11.292  -6.034  -7.882  1.00  0.00           H   new
ATOM      0  HA  SER A  16      11.083  -8.639  -9.299  1.00  0.00           H   new
ATOM      0  HB2 SER A  16      11.965  -6.516 -10.484  1.00  0.00           H   new
ATOM      0  HB3 SER A  16      13.317  -6.599  -9.372  1.00  0.00           H   new
ATOM      0  HG  SER A  16      13.739  -7.716 -11.351  1.00  0.00           H   new
ATOM    238  N   THR A  17      12.382  -7.870  -6.478  1.00  0.00           N
ATOM    239  CA  THR A  17      13.056  -8.334  -5.281  1.00  0.00           C
ATOM    240  C   THR A  17      12.044  -8.778  -4.214  1.00  0.00           C
ATOM    241  O   THR A  17      12.467  -9.059  -3.091  1.00  0.00           O
ATOM    242  CB  THR A  17      14.034  -7.237  -4.778  1.00  0.00           C
ATOM    243  OG1 THR A  17      13.392  -6.252  -3.982  1.00  0.00           O
ATOM    244  CG2 THR A  17      14.793  -6.500  -5.895  1.00  0.00           C
ATOM      0  H   THR A  17      11.861  -7.005  -6.333  1.00  0.00           H   new
ATOM      0  HA  THR A  17      13.649  -9.219  -5.512  1.00  0.00           H   new
ATOM      0  HB  THR A  17      14.750  -7.804  -4.183  1.00  0.00           H   new
ATOM      0  HG1 THR A  17      13.752  -5.368  -4.202  1.00  0.00           H   new
ATOM      0 HG21 THR A  17      15.453  -5.752  -5.455  1.00  0.00           H   new
ATOM      0 HG22 THR A  17      15.385  -7.215  -6.466  1.00  0.00           H   new
ATOM      0 HG23 THR A  17      14.080  -6.009  -6.557  1.00  0.00           H   new
ATOM    252  N   TYR A  18      10.736  -8.721  -4.506  1.00  0.00           N
ATOM    253  CA  TYR A  18       9.660  -8.852  -3.525  1.00  0.00           C
ATOM    254  C   TYR A  18       9.319 -10.319  -3.266  1.00  0.00           C
ATOM    255  O   TYR A  18       9.807 -11.233  -3.932  1.00  0.00           O
ATOM    256  CB  TYR A  18       8.423  -8.059  -3.992  1.00  0.00           C
ATOM    257  CG  TYR A  18       8.526  -6.546  -3.925  1.00  0.00           C
ATOM    258  CD1 TYR A  18       9.709  -5.893  -3.530  1.00  0.00           C
ATOM    259  CD2 TYR A  18       7.390  -5.778  -4.233  1.00  0.00           C
ATOM    260  CE1 TYR A  18       9.761  -4.496  -3.474  1.00  0.00           C
ATOM    261  CE2 TYR A  18       7.423  -4.376  -4.154  1.00  0.00           C
ATOM    262  CZ  TYR A  18       8.605  -3.729  -3.737  1.00  0.00           C
ATOM    263  OH  TYR A  18       8.612  -2.387  -3.520  1.00  0.00           O
ATOM      0  H   TYR A  18      10.394  -8.579  -5.456  1.00  0.00           H   new
ATOM      0  HA  TYR A  18      10.001  -8.433  -2.578  1.00  0.00           H   new
ATOM      0  HB2 TYR A  18       8.205  -8.341  -5.022  1.00  0.00           H   new
ATOM      0  HB3 TYR A  18       7.570  -8.370  -3.389  1.00  0.00           H   new
ATOM      0  HD1 TYR A  18      10.581  -6.474  -3.269  1.00  0.00           H   new
ATOM      0  HD2 TYR A  18       6.479  -6.273  -4.535  1.00  0.00           H   new
ATOM      0  HE1 TYR A  18      10.690  -4.002  -3.229  1.00  0.00           H   new
ATOM      0  HE2 TYR A  18       6.548  -3.797  -4.411  1.00  0.00           H   new
ATOM      0  HH  TYR A  18       8.811  -2.209  -2.577  1.00  0.00           H   new
ATOM    273  N   GLN A  19       8.450 -10.535  -2.287  1.00  0.00           N
ATOM    274  CA  GLN A  19       8.052 -11.832  -1.769  1.00  0.00           C
ATOM    275  C   GLN A  19       6.556 -11.990  -1.962  1.00  0.00           C
ATOM    276  O   GLN A  19       5.768 -11.440  -1.202  1.00  0.00           O
ATOM    277  CB  GLN A  19       8.452 -11.932  -0.296  1.00  0.00           C
ATOM    278  CG  GLN A  19       9.945 -12.255  -0.198  1.00  0.00           C
ATOM    279  CD  GLN A  19      10.551 -12.050   1.184  1.00  0.00           C
ATOM    280  OE1 GLN A  19       9.912 -11.618   2.139  1.00  0.00           O
ATOM    281  NE2 GLN A  19      11.838 -12.321   1.294  1.00  0.00           N
ATOM      0  H   GLN A  19       7.980  -9.766  -1.809  1.00  0.00           H   new
ATOM      0  HA  GLN A  19       8.555 -12.639  -2.303  1.00  0.00           H   new
ATOM      0  HB2 GLN A  19       8.237 -10.994   0.216  1.00  0.00           H   new
ATOM      0  HB3 GLN A  19       7.867 -12.707   0.200  1.00  0.00           H   new
ATOM      0  HG2 GLN A  19      10.099 -13.292  -0.497  1.00  0.00           H   new
ATOM      0  HG3 GLN A  19      10.485 -11.634  -0.912  1.00  0.00           H   new
ATOM      0 HE21 GLN A  19      12.354 -12.679   0.491  1.00  0.00           H   new
ATOM      0 HE22 GLN A  19      12.316 -12.172   2.182  1.00  0.00           H   new
ATOM    290  N   TYR A  20       6.154 -12.698  -3.009  1.00  0.00           N
ATOM    291  CA  TYR A  20       4.765 -13.074  -3.194  1.00  0.00           C
ATOM    292  C   TYR A  20       4.255 -13.889  -2.006  1.00  0.00           C
ATOM    293  O   TYR A  20       4.978 -14.755  -1.501  1.00  0.00           O
ATOM    294  CB  TYR A  20       4.667 -13.897  -4.465  1.00  0.00           C
ATOM    295  CG  TYR A  20       3.261 -14.336  -4.782  1.00  0.00           C
ATOM    296  CD1 TYR A  20       2.383 -13.427  -5.394  1.00  0.00           C
ATOM    297  CD2 TYR A  20       2.834 -15.640  -4.462  1.00  0.00           C
ATOM    298  CE1 TYR A  20       1.136 -13.884  -5.859  1.00  0.00           C
ATOM    299  CE2 TYR A  20       1.576 -16.090  -4.881  1.00  0.00           C
ATOM    300  CZ  TYR A  20       0.744 -15.228  -5.634  1.00  0.00           C
ATOM    301  OH  TYR A  20      -0.441 -15.691  -6.119  1.00  0.00           O
ATOM      0  H   TYR A  20       6.778 -13.024  -3.747  1.00  0.00           H   new
ATOM      0  HA  TYR A  20       4.151 -12.177  -3.268  1.00  0.00           H   new
ATOM      0  HB2 TYR A  20       5.055 -13.312  -5.299  1.00  0.00           H   new
ATOM      0  HB3 TYR A  20       5.303 -14.777  -4.370  1.00  0.00           H   new
ATOM      0  HD1 TYR A  20       2.661 -12.390  -5.506  1.00  0.00           H   new
ATOM      0  HD2 TYR A  20       3.478 -16.294  -3.893  1.00  0.00           H   new
ATOM      0  HE1 TYR A  20       0.477 -13.211  -6.387  1.00  0.00           H   new
ATOM      0  HE2 TYR A  20       1.243 -17.087  -4.632  1.00  0.00           H   new
ATOM      0  HH  TYR A  20      -0.549 -16.633  -5.873  1.00  0.00           H   new
ATOM    311  N   ASP A  21       2.989 -13.685  -1.640  1.00  0.00           N
ATOM    312  CA  ASP A  21       2.296 -14.479  -0.635  1.00  0.00           C
ATOM    313  C   ASP A  21       1.049 -15.094  -1.237  1.00  0.00           C
ATOM    314  O   ASP A  21       0.098 -14.393  -1.574  1.00  0.00           O
ATOM    315  CB  ASP A  21       1.908 -13.679   0.612  1.00  0.00           C
ATOM    316  CG  ASP A  21       1.973 -14.592   1.845  1.00  0.00           C
ATOM    317  OD1 ASP A  21       1.606 -15.787   1.709  1.00  0.00           O
ATOM    318  OD2 ASP A  21       2.406 -14.100   2.912  1.00  0.00           O
ATOM      0  H   ASP A  21       2.409 -12.949  -2.043  1.00  0.00           H   new
ATOM      0  HA  ASP A  21       2.997 -15.251  -0.316  1.00  0.00           H   new
ATOM      0  HB2 ASP A  21       2.582 -12.831   0.738  1.00  0.00           H   new
ATOM      0  HB3 ASP A  21       0.903 -13.273   0.499  1.00  0.00           H   new
ATOM    323  N   GLU A  22       1.038 -16.411  -1.371  1.00  0.00           N
ATOM    324  CA  GLU A  22      -0.093 -17.188  -1.867  1.00  0.00           C
ATOM    325  C   GLU A  22      -1.331 -17.092  -0.960  1.00  0.00           C
ATOM    326  O   GLU A  22      -2.440 -17.374  -1.422  1.00  0.00           O
ATOM    327  CB  GLU A  22       0.323 -18.657  -2.056  1.00  0.00           C
ATOM    328  CG  GLU A  22       1.383 -19.149  -1.063  1.00  0.00           C
ATOM    329  CD  GLU A  22       1.628 -20.654  -1.165  1.00  0.00           C
ATOM    330  OE1 GLU A  22       2.233 -21.087  -2.168  1.00  0.00           O
ATOM    331  OE2 GLU A  22       1.277 -21.392  -0.212  1.00  0.00           O
ATOM      0  H   GLU A  22       1.842 -16.990  -1.130  1.00  0.00           H   new
ATOM      0  HA  GLU A  22      -0.379 -16.760  -2.828  1.00  0.00           H   new
ATOM      0  HB2 GLU A  22      -0.562 -19.287  -1.965  1.00  0.00           H   new
ATOM      0  HB3 GLU A  22       0.704 -18.786  -3.069  1.00  0.00           H   new
ATOM      0  HG2 GLU A  22       2.318 -18.619  -1.243  1.00  0.00           H   new
ATOM      0  HG3 GLU A  22       1.068 -18.904  -0.049  1.00  0.00           H   new
ATOM    338  N   THR A  23      -1.165 -16.691   0.304  1.00  0.00           N
ATOM    339  CA  THR A  23      -2.275 -16.492   1.241  1.00  0.00           C
ATOM    340  C   THR A  23      -3.269 -15.437   0.727  1.00  0.00           C
ATOM    341  O   THR A  23      -4.469 -15.559   0.974  1.00  0.00           O
ATOM    342  CB  THR A  23      -1.717 -16.160   2.643  1.00  0.00           C
ATOM    343  OG1 THR A  23      -2.668 -16.410   3.664  1.00  0.00           O
ATOM    344  CG2 THR A  23      -1.238 -14.717   2.812  1.00  0.00           C
ATOM      0  H   THR A  23      -0.250 -16.494   0.709  1.00  0.00           H   new
ATOM      0  HA  THR A  23      -2.846 -17.417   1.321  1.00  0.00           H   new
ATOM      0  HB  THR A  23      -0.856 -16.821   2.735  1.00  0.00           H   new
ATOM      0  HG1 THR A  23      -2.278 -16.190   4.536  1.00  0.00           H   new
ATOM      0 HG21 THR A  23      -0.863 -14.574   3.826  1.00  0.00           H   new
ATOM      0 HG22 THR A  23      -0.440 -14.512   2.098  1.00  0.00           H   new
ATOM      0 HG23 THR A  23      -2.069 -14.035   2.633  1.00  0.00           H   new
ATOM    352  N   SER A  24      -2.788 -14.422   0.000  1.00  0.00           N
ATOM    353  CA  SER A  24      -3.590 -13.282  -0.442  1.00  0.00           C
ATOM    354  C   SER A  24      -3.382 -12.969  -1.924  1.00  0.00           C
ATOM    355  O   SER A  24      -4.241 -12.329  -2.532  1.00  0.00           O
ATOM    356  CB  SER A  24      -3.261 -12.062   0.431  1.00  0.00           C
ATOM    357  OG  SER A  24      -3.628 -12.317   1.775  1.00  0.00           O
ATOM      0  H   SER A  24      -1.815 -14.372  -0.301  1.00  0.00           H   new
ATOM      0  HA  SER A  24      -4.643 -13.539  -0.326  1.00  0.00           H   new
ATOM      0  HB2 SER A  24      -2.196 -11.839   0.372  1.00  0.00           H   new
ATOM      0  HB3 SER A  24      -3.792 -11.185   0.060  1.00  0.00           H   new
ATOM      0  HG  SER A  24      -3.414 -11.536   2.326  1.00  0.00           H   new
ATOM    363  N   GLY A  25      -2.273 -13.419  -2.518  1.00  0.00           N
ATOM    364  CA  GLY A  25      -1.947 -13.189  -3.915  1.00  0.00           C
ATOM    365  C   GLY A  25      -1.213 -11.867  -4.119  1.00  0.00           C
ATOM    366  O   GLY A  25      -1.075 -11.426  -5.258  1.00  0.00           O
ATOM      0  H   GLY A  25      -1.566 -13.964  -2.024  1.00  0.00           H   new
ATOM      0  HA2 GLY A  25      -1.329 -14.008  -4.283  1.00  0.00           H   new
ATOM      0  HA3 GLY A  25      -2.863 -13.191  -4.506  1.00  0.00           H   new
ATOM    370  N   TYR A  26      -0.769 -11.215  -3.044  1.00  0.00           N
ATOM    371  CA  TYR A  26      -0.105  -9.920  -3.097  1.00  0.00           C
ATOM    372  C   TYR A  26       1.400 -10.149  -3.069  1.00  0.00           C
ATOM    373  O   TYR A  26       1.869 -11.248  -2.757  1.00  0.00           O
ATOM    374  CB  TYR A  26      -0.547  -9.061  -1.898  1.00  0.00           C
ATOM    375  CG  TYR A  26      -1.852  -8.311  -2.098  1.00  0.00           C
ATOM    376  CD1 TYR A  26      -3.011  -8.974  -2.550  1.00  0.00           C
ATOM    377  CD2 TYR A  26      -1.894  -6.923  -1.864  1.00  0.00           C
ATOM    378  CE1 TYR A  26      -4.187  -8.256  -2.806  1.00  0.00           C
ATOM    379  CE2 TYR A  26      -3.076  -6.201  -2.090  1.00  0.00           C
ATOM    380  CZ  TYR A  26      -4.219  -6.863  -2.593  1.00  0.00           C
ATOM    381  OH  TYR A  26      -5.355  -6.170  -2.865  1.00  0.00           O
ATOM      0  H   TYR A  26      -0.864 -11.582  -2.097  1.00  0.00           H   new
ATOM      0  HA  TYR A  26      -0.374  -9.391  -4.011  1.00  0.00           H   new
ATOM      0  HB2 TYR A  26      -0.645  -9.705  -1.024  1.00  0.00           H   new
ATOM      0  HB3 TYR A  26       0.240  -8.340  -1.676  1.00  0.00           H   new
ATOM      0  HD1 TYR A  26      -2.993 -10.043  -2.700  1.00  0.00           H   new
ATOM      0  HD2 TYR A  26      -1.012  -6.411  -1.509  1.00  0.00           H   new
ATOM      0  HE1 TYR A  26      -5.067  -8.769  -3.166  1.00  0.00           H   new
ATOM      0  HE2 TYR A  26      -3.112  -5.142  -1.880  1.00  0.00           H   new
ATOM      0  HH  TYR A  26      -5.215  -5.221  -2.664  1.00  0.00           H   new
ATOM    391  N   TYR A  27       2.158  -9.092  -3.343  1.00  0.00           N
ATOM    392  CA  TYR A  27       3.599  -9.087  -3.180  1.00  0.00           C
ATOM    393  C   TYR A  27       3.909  -8.362  -1.867  1.00  0.00           C
ATOM    394  O   TYR A  27       3.289  -7.340  -1.563  1.00  0.00           O
ATOM    395  CB  TYR A  27       4.238  -8.382  -4.380  1.00  0.00           C
ATOM    396  CG  TYR A  27       4.043  -9.153  -5.671  1.00  0.00           C
ATOM    397  CD1 TYR A  27       4.881 -10.247  -5.954  1.00  0.00           C
ATOM    398  CD2 TYR A  27       2.989  -8.833  -6.548  1.00  0.00           C
ATOM    399  CE1 TYR A  27       4.686 -11.013  -7.115  1.00  0.00           C
ATOM    400  CE2 TYR A  27       2.789  -9.593  -7.715  1.00  0.00           C
ATOM    401  CZ  TYR A  27       3.643 -10.681  -8.009  1.00  0.00           C
ATOM    402  OH  TYR A  27       3.460 -11.415  -9.141  1.00  0.00           O
ATOM      0  H   TYR A  27       1.781  -8.209  -3.687  1.00  0.00           H   new
ATOM      0  HA  TYR A  27       4.005 -10.098  -3.138  1.00  0.00           H   new
ATOM      0  HB2 TYR A  27       3.807  -7.386  -4.485  1.00  0.00           H   new
ATOM      0  HB3 TYR A  27       5.304  -8.250  -4.196  1.00  0.00           H   new
ATOM      0  HD1 TYR A  27       5.680 -10.500  -5.273  1.00  0.00           H   new
ATOM      0  HD2 TYR A  27       2.334  -8.004  -6.325  1.00  0.00           H   new
ATOM      0  HE1 TYR A  27       5.331 -11.853  -7.324  1.00  0.00           H   new
ATOM      0  HE2 TYR A  27       1.981  -9.345  -8.388  1.00  0.00           H   new
ATOM      0  HH  TYR A  27       2.700 -11.055  -9.645  1.00  0.00           H   new
ATOM    412  N   TYR A  28       4.889  -8.829  -1.099  1.00  0.00           N
ATOM    413  CA  TYR A  28       5.380  -8.202   0.126  1.00  0.00           C
ATOM    414  C   TYR A  28       6.750  -7.607  -0.177  1.00  0.00           C
ATOM    415  O   TYR A  28       7.549  -8.211  -0.894  1.00  0.00           O
ATOM    416  CB  TYR A  28       5.468  -9.225   1.269  1.00  0.00           C
ATOM    417  CG  TYR A  28       6.206  -8.710   2.493  1.00  0.00           C
ATOM    418  CD1 TYR A  28       5.704  -7.623   3.235  1.00  0.00           C
ATOM    419  CD2 TYR A  28       7.443  -9.279   2.846  1.00  0.00           C
ATOM    420  CE1 TYR A  28       6.444  -7.094   4.308  1.00  0.00           C
ATOM    421  CE2 TYR A  28       8.187  -8.760   3.914  1.00  0.00           C
ATOM    422  CZ  TYR A  28       7.702  -7.650   4.640  1.00  0.00           C
ATOM    423  OH  TYR A  28       8.423  -7.140   5.675  1.00  0.00           O
ATOM      0  H   TYR A  28       5.385  -9.692  -1.322  1.00  0.00           H   new
ATOM      0  HA  TYR A  28       4.693  -7.421   0.451  1.00  0.00           H   new
ATOM      0  HB2 TYR A  28       4.460  -9.519   1.560  1.00  0.00           H   new
ATOM      0  HB3 TYR A  28       5.969 -10.122   0.904  1.00  0.00           H   new
ATOM      0  HD1 TYR A  28       4.747  -7.194   2.979  1.00  0.00           H   new
ATOM      0  HD2 TYR A  28       7.823 -10.123   2.289  1.00  0.00           H   new
ATOM      0  HE1 TYR A  28       6.052  -6.264   4.878  1.00  0.00           H   new
ATOM      0  HE2 TYR A  28       9.132  -9.209   4.182  1.00  0.00           H   new
ATOM      0  HH  TYR A  28       9.261  -7.639   5.767  1.00  0.00           H   new
ATOM    433  N   ASP A  29       7.005  -6.419   0.359  1.00  0.00           N
ATOM    434  CA  ASP A  29       8.227  -5.646   0.190  1.00  0.00           C
ATOM    435  C   ASP A  29       9.115  -5.713   1.435  1.00  0.00           C
ATOM    436  O   ASP A  29       8.990  -4.859   2.319  1.00  0.00           O
ATOM    437  CB  ASP A  29       7.982  -4.193  -0.200  1.00  0.00           C
ATOM    438  CG  ASP A  29       9.313  -3.504  -0.542  1.00  0.00           C
ATOM    439  OD1 ASP A  29      10.377  -4.163  -0.494  1.00  0.00           O
ATOM    440  OD2 ASP A  29       9.277  -2.303  -0.892  1.00  0.00           O
ATOM      0  H   ASP A  29       6.327  -5.945   0.955  1.00  0.00           H   new
ATOM      0  HA  ASP A  29       8.748  -6.115  -0.645  1.00  0.00           H   new
ATOM      0  HB2 ASP A  29       7.310  -4.147  -1.057  1.00  0.00           H   new
ATOM      0  HB3 ASP A  29       7.491  -3.667   0.619  1.00  0.00           H   new
ATOM    445  N   PRO A  30       9.995  -6.719   1.559  1.00  0.00           N
ATOM    446  CA  PRO A  30      10.919  -6.817   2.681  1.00  0.00           C
ATOM    447  C   PRO A  30      11.903  -5.644   2.793  1.00  0.00           C
ATOM    448  O   PRO A  30      12.590  -5.524   3.811  1.00  0.00           O
ATOM    449  CB  PRO A  30      11.674  -8.126   2.453  1.00  0.00           C
ATOM    450  CG  PRO A  30      11.592  -8.371   0.952  1.00  0.00           C
ATOM    451  CD  PRO A  30      10.249  -7.763   0.579  1.00  0.00           C
ATOM      0  HA  PRO A  30      10.364  -6.789   3.619  1.00  0.00           H   new
ATOM      0  HB2 PRO A  30      12.709  -8.047   2.784  1.00  0.00           H   new
ATOM      0  HB3 PRO A  30      11.222  -8.945   3.012  1.00  0.00           H   new
ATOM      0  HG2 PRO A  30      12.414  -7.892   0.419  1.00  0.00           H   new
ATOM      0  HG3 PRO A  30      11.634  -9.434   0.714  1.00  0.00           H   new
ATOM      0  HD2 PRO A  30      10.273  -7.353  -0.431  1.00  0.00           H   new
ATOM      0  HD3 PRO A  30       9.461  -8.516   0.598  1.00  0.00           H   new
ATOM    459  N   GLN A  31      12.022  -4.793   1.770  1.00  0.00           N
ATOM    460  CA  GLN A  31      12.915  -3.638   1.814  1.00  0.00           C
ATOM    461  C   GLN A  31      12.354  -2.560   2.739  1.00  0.00           C
ATOM    462  O   GLN A  31      13.109  -1.802   3.349  1.00  0.00           O
ATOM    463  CB  GLN A  31      13.115  -3.018   0.416  1.00  0.00           C
ATOM    464  CG  GLN A  31      13.529  -3.979  -0.716  1.00  0.00           C
ATOM    465  CD  GLN A  31      14.868  -4.682  -0.511  1.00  0.00           C
ATOM    466  OE1 GLN A  31      15.486  -4.632   0.549  1.00  0.00           O
ATOM    467  NE2 GLN A  31      15.350  -5.382  -1.526  1.00  0.00           N
ATOM      0  H   GLN A  31      11.505  -4.886   0.896  1.00  0.00           H   new
ATOM      0  HA  GLN A  31      13.874  -3.996   2.188  1.00  0.00           H   new
ATOM      0  HB2 GLN A  31      12.185  -2.530   0.124  1.00  0.00           H   new
ATOM      0  HB3 GLN A  31      13.873  -2.239   0.495  1.00  0.00           H   new
ATOM      0  HG2 GLN A  31      12.753  -4.736  -0.831  1.00  0.00           H   new
ATOM      0  HG3 GLN A  31      13.570  -3.419  -1.650  1.00  0.00           H   new
ATOM      0 HE21 GLN A  31      14.837  -5.423  -2.406  1.00  0.00           H   new
ATOM      0 HE22 GLN A  31      16.235  -5.880  -1.428  1.00  0.00           H   new
ATOM    476  N   THR A  32      11.032  -2.480   2.851  1.00  0.00           N
ATOM    477  CA  THR A  32      10.320  -1.368   3.457  1.00  0.00           C
ATOM    478  C   THR A  32       9.498  -1.878   4.631  1.00  0.00           C
ATOM    479  O   THR A  32       9.606  -1.346   5.742  1.00  0.00           O
ATOM    480  CB  THR A  32       9.445  -0.713   2.376  1.00  0.00           C
ATOM    481  OG1 THR A  32       8.692  -1.682   1.683  1.00  0.00           O
ATOM    482  CG2 THR A  32      10.308   0.043   1.366  1.00  0.00           C
ATOM      0  H   THR A  32      10.410  -3.213   2.510  1.00  0.00           H   new
ATOM      0  HA  THR A  32      11.009  -0.618   3.845  1.00  0.00           H   new
ATOM      0  HB  THR A  32       8.773  -0.019   2.880  1.00  0.00           H   new
ATOM      0  HG1 THR A  32       7.814  -1.778   2.107  1.00  0.00           H   new
ATOM      0 HG21 THR A  32       9.669   0.499   0.610  1.00  0.00           H   new
ATOM      0 HG22 THR A  32      10.873   0.821   1.880  1.00  0.00           H   new
ATOM      0 HG23 THR A  32      10.999  -0.650   0.887  1.00  0.00           H   new
ATOM    490  N   GLY A  33       8.726  -2.933   4.376  1.00  0.00           N
ATOM    491  CA  GLY A  33       7.695  -3.449   5.248  1.00  0.00           C
ATOM    492  C   GLY A  33       6.335  -2.981   4.740  1.00  0.00           C
ATOM    493  O   GLY A  33       5.529  -2.455   5.512  1.00  0.00           O
ATOM      0  H   GLY A  33       8.814  -3.470   3.513  1.00  0.00           H   new
ATOM      0  HA2 GLY A  33       7.733  -4.538   5.273  1.00  0.00           H   new
ATOM      0  HA3 GLY A  33       7.856  -3.101   6.268  1.00  0.00           H   new
ATOM    497  N   LEU A  34       6.095  -3.096   3.431  1.00  0.00           N
ATOM    498  CA  LEU A  34       4.830  -2.767   2.768  1.00  0.00           C
ATOM    499  C   LEU A  34       4.364  -3.967   1.946  1.00  0.00           C
ATOM    500  O   LEU A  34       5.123  -4.911   1.737  1.00  0.00           O
ATOM    501  CB  LEU A  34       4.998  -1.545   1.849  1.00  0.00           C
ATOM    502  CG  LEU A  34       5.549  -0.287   2.545  1.00  0.00           C
ATOM    503  CD1 LEU A  34       6.073   0.695   1.497  1.00  0.00           C
ATOM    504  CD2 LEU A  34       4.467   0.370   3.411  1.00  0.00           C
ATOM      0  H   LEU A  34       6.803  -3.434   2.779  1.00  0.00           H   new
ATOM      0  HA  LEU A  34       4.087  -2.527   3.529  1.00  0.00           H   new
ATOM      0  HB2 LEU A  34       5.666  -1.812   1.030  1.00  0.00           H   new
ATOM      0  HB3 LEU A  34       4.031  -1.305   1.406  1.00  0.00           H   new
ATOM      0  HG  LEU A  34       6.372  -0.577   3.199  1.00  0.00           H   new
ATOM      0 HD11 LEU A  34       6.462   1.584   1.994  1.00  0.00           H   new
ATOM      0 HD12 LEU A  34       6.869   0.223   0.922  1.00  0.00           H   new
ATOM      0 HD13 LEU A  34       5.262   0.980   0.827  1.00  0.00           H   new
ATOM      0 HD21 LEU A  34       4.877   1.257   3.894  1.00  0.00           H   new
ATOM      0 HD22 LEU A  34       3.623   0.656   2.784  1.00  0.00           H   new
ATOM      0 HD23 LEU A  34       4.132  -0.335   4.172  1.00  0.00           H   new
ATOM    516  N   TYR A  35       3.144  -3.911   1.421  1.00  0.00           N
ATOM    517  CA  TYR A  35       2.643  -4.810   0.390  1.00  0.00           C
ATOM    518  C   TYR A  35       2.381  -4.000  -0.881  1.00  0.00           C
ATOM    519  O   TYR A  35       2.312  -2.773  -0.821  1.00  0.00           O
ATOM    520  CB  TYR A  35       1.378  -5.526   0.884  1.00  0.00           C
ATOM    521  CG  TYR A  35       1.660  -6.620   1.900  1.00  0.00           C
ATOM    522  CD1 TYR A  35       1.940  -6.312   3.247  1.00  0.00           C
ATOM    523  CD2 TYR A  35       1.682  -7.962   1.477  1.00  0.00           C
ATOM    524  CE1 TYR A  35       2.265  -7.338   4.156  1.00  0.00           C
ATOM    525  CE2 TYR A  35       1.996  -8.990   2.381  1.00  0.00           C
ATOM    526  CZ  TYR A  35       2.311  -8.684   3.723  1.00  0.00           C
ATOM    527  OH  TYR A  35       2.644  -9.675   4.597  1.00  0.00           O
ATOM      0  H   TYR A  35       2.456  -3.216   1.711  1.00  0.00           H   new
ATOM      0  HA  TYR A  35       3.381  -5.580   0.165  1.00  0.00           H   new
ATOM      0  HB2 TYR A  35       0.705  -4.793   1.328  1.00  0.00           H   new
ATOM      0  HB3 TYR A  35       0.858  -5.959   0.030  1.00  0.00           H   new
ATOM      0  HD1 TYR A  35       1.905  -5.286   3.583  1.00  0.00           H   new
ATOM      0  HD2 TYR A  35       1.456  -8.203   0.449  1.00  0.00           H   new
ATOM      0  HE1 TYR A  35       2.480  -7.096   5.186  1.00  0.00           H   new
ATOM      0  HE2 TYR A  35       1.997 -10.018   2.049  1.00  0.00           H   new
ATOM      0  HH  TYR A  35       2.626 -10.539   4.134  1.00  0.00           H   new
ATOM    537  N   TYR A  36       2.220  -4.684  -2.010  1.00  0.00           N
ATOM    538  CA  TYR A  36       1.942  -4.136  -3.334  1.00  0.00           C
ATOM    539  C   TYR A  36       1.036  -5.129  -4.064  1.00  0.00           C
ATOM    540  O   TYR A  36       1.134  -6.341  -3.827  1.00  0.00           O
ATOM    541  CB  TYR A  36       3.275  -3.957  -4.085  1.00  0.00           C
ATOM    542  CG  TYR A  36       3.181  -3.644  -5.567  1.00  0.00           C
ATOM    543  CD1 TYR A  36       3.046  -2.319  -6.023  1.00  0.00           C
ATOM    544  CD2 TYR A  36       3.231  -4.700  -6.497  1.00  0.00           C
ATOM    545  CE1 TYR A  36       2.985  -2.047  -7.403  1.00  0.00           C
ATOM    546  CE2 TYR A  36       3.147  -4.436  -7.873  1.00  0.00           C
ATOM    547  CZ  TYR A  36       3.045  -3.108  -8.335  1.00  0.00           C
ATOM    548  OH  TYR A  36       2.999  -2.850  -9.671  1.00  0.00           O
ATOM      0  H   TYR A  36       2.284  -5.702  -2.025  1.00  0.00           H   new
ATOM      0  HA  TYR A  36       1.447  -3.167  -3.272  1.00  0.00           H   new
ATOM      0  HB2 TYR A  36       3.834  -3.155  -3.602  1.00  0.00           H   new
ATOM      0  HB3 TYR A  36       3.859  -4.870  -3.965  1.00  0.00           H   new
ATOM      0  HD1 TYR A  36       2.989  -1.508  -5.312  1.00  0.00           H   new
ATOM      0  HD2 TYR A  36       3.334  -5.718  -6.150  1.00  0.00           H   new
ATOM      0  HE1 TYR A  36       2.892  -1.028  -7.749  1.00  0.00           H   new
ATOM      0  HE2 TYR A  36       3.161  -5.252  -8.580  1.00  0.00           H   new
ATOM      0  HH  TYR A  36       3.052  -3.692 -10.169  1.00  0.00           H   new
ATOM    558  N   ASP A  37       0.215  -4.635  -4.993  1.00  0.00           N
ATOM    559  CA  ASP A  37      -0.637  -5.471  -5.845  1.00  0.00           C
ATOM    560  C   ASP A  37      -0.307  -5.208  -7.321  1.00  0.00           C
ATOM    561  O   ASP A  37      -0.059  -4.061  -7.706  1.00  0.00           O
ATOM    562  CB  ASP A  37      -2.104  -5.127  -5.577  1.00  0.00           C
ATOM    563  CG  ASP A  37      -3.076  -5.974  -6.402  1.00  0.00           C
ATOM    564  OD1 ASP A  37      -3.487  -7.059  -5.949  1.00  0.00           O
ATOM    565  OD2 ASP A  37      -3.430  -5.542  -7.524  1.00  0.00           O
ATOM      0  H   ASP A  37       0.121  -3.636  -5.178  1.00  0.00           H   new
ATOM      0  HA  ASP A  37      -0.460  -6.523  -5.621  1.00  0.00           H   new
ATOM      0  HB2 ASP A  37      -2.317  -5.268  -4.517  1.00  0.00           H   new
ATOM      0  HB3 ASP A  37      -2.271  -4.073  -5.798  1.00  0.00           H   new
ATOM    570  N   PRO A  38      -0.345  -6.224  -8.198  1.00  0.00           N
ATOM    571  CA  PRO A  38       0.039  -6.053  -9.594  1.00  0.00           C
ATOM    572  C   PRO A  38      -1.026  -5.341 -10.430  1.00  0.00           C
ATOM    573  O   PRO A  38      -0.687  -4.742 -11.454  1.00  0.00           O
ATOM    574  CB  PRO A  38       0.269  -7.468 -10.121  1.00  0.00           C
ATOM    575  CG  PRO A  38      -0.716  -8.278  -9.282  1.00  0.00           C
ATOM    576  CD  PRO A  38      -0.590  -7.630  -7.913  1.00  0.00           C
ATOM      0  HA  PRO A  38       0.924  -5.421  -9.666  1.00  0.00           H   new
ATOM      0  HB2 PRO A  38       0.058  -7.546 -11.188  1.00  0.00           H   new
ATOM      0  HB3 PRO A  38       1.298  -7.797  -9.974  1.00  0.00           H   new
ATOM      0  HG2 PRO A  38      -1.732  -8.211  -9.671  1.00  0.00           H   new
ATOM      0  HG3 PRO A  38      -0.454  -9.336  -9.256  1.00  0.00           H   new
ATOM      0  HD2 PRO A  38      -1.498  -7.764  -7.325  1.00  0.00           H   new
ATOM      0  HD3 PRO A  38       0.228  -8.068  -7.340  1.00  0.00           H   new
ATOM    584  N   ASN A  39      -2.304  -5.403 -10.057  1.00  0.00           N
ATOM    585  CA  ASN A  39      -3.374  -4.682 -10.724  1.00  0.00           C
ATOM    586  C   ASN A  39      -3.622  -3.310 -10.119  1.00  0.00           C
ATOM    587  O   ASN A  39      -4.164  -2.453 -10.822  1.00  0.00           O
ATOM    588  CB  ASN A  39      -4.652  -5.518 -10.674  1.00  0.00           C
ATOM    589  CG  ASN A  39      -4.738  -6.431 -11.879  1.00  0.00           C
ATOM    590  OD1 ASN A  39      -4.471  -6.016 -13.002  1.00  0.00           O
ATOM    591  ND2 ASN A  39      -5.012  -7.704 -11.682  1.00  0.00           N
ATOM      0  H   ASN A  39      -2.624  -5.966  -9.269  1.00  0.00           H   new
ATOM      0  HA  ASN A  39      -3.069  -4.518 -11.758  1.00  0.00           H   new
ATOM      0  HB2 ASN A  39      -4.670  -6.111  -9.760  1.00  0.00           H   new
ATOM      0  HB3 ASN A  39      -5.522  -4.862 -10.645  1.00  0.00           H   new
ATOM      0 HD21 ASN A  39      -5.003  -8.355 -12.467  1.00  0.00           H   new
ATOM      0 HD22 ASN A  39      -5.233  -8.039 -10.744  1.00  0.00           H   new
ATOM    598  N   SER A  40      -3.213  -3.077  -8.878  1.00  0.00           N
ATOM    599  CA  SER A  40      -3.381  -1.802  -8.194  1.00  0.00           C
ATOM    600  C   SER A  40      -2.044  -1.357  -7.604  1.00  0.00           C
ATOM    601  O   SER A  40      -1.733  -1.701  -6.468  1.00  0.00           O
ATOM    602  CB  SER A  40      -4.552  -1.858  -7.205  1.00  0.00           C
ATOM    603  OG  SER A  40      -4.365  -2.820  -6.189  1.00  0.00           O
ATOM      0  H   SER A  40      -2.746  -3.783  -8.308  1.00  0.00           H   new
ATOM      0  HA  SER A  40      -3.666  -1.022  -8.900  1.00  0.00           H   new
ATOM      0  HB2 SER A  40      -4.684  -0.877  -6.750  1.00  0.00           H   new
ATOM      0  HB3 SER A  40      -5.470  -2.084  -7.748  1.00  0.00           H   new
ATOM      0  HG  SER A  40      -5.138  -2.814  -5.586  1.00  0.00           H   new
ATOM    609  N   GLN A  41      -1.276  -0.585  -8.381  1.00  0.00           N
ATOM    610  CA  GLN A  41       0.108  -0.147  -8.159  1.00  0.00           C
ATOM    611  C   GLN A  41       0.367   0.600  -6.835  1.00  0.00           C
ATOM    612  O   GLN A  41       1.516   0.944  -6.541  1.00  0.00           O
ATOM    613  CB  GLN A  41       0.564   0.733  -9.343  1.00  0.00           C
ATOM    614  CG  GLN A  41       1.257  -0.004 -10.495  1.00  0.00           C
ATOM    615  CD  GLN A  41       0.388  -1.021 -11.227  1.00  0.00           C
ATOM    616  OE1 GLN A  41      -0.176  -0.745 -12.288  1.00  0.00           O
ATOM    617  NE2 GLN A  41       0.265  -2.222 -10.691  1.00  0.00           N
ATOM      0  H   GLN A  41      -1.639  -0.218  -9.260  1.00  0.00           H   new
ATOM      0  HA  GLN A  41       0.690  -1.066  -8.087  1.00  0.00           H   new
ATOM      0  HB2 GLN A  41      -0.307   1.253  -9.741  1.00  0.00           H   new
ATOM      0  HB3 GLN A  41       1.244   1.496  -8.963  1.00  0.00           H   new
ATOM      0  HG2 GLN A  41       1.613   0.733 -11.216  1.00  0.00           H   new
ATOM      0  HG3 GLN A  41       2.136  -0.516 -10.102  1.00  0.00           H   new
ATOM      0 HE21 GLN A  41       0.736  -2.439  -9.813  1.00  0.00           H   new
ATOM      0 HE22 GLN A  41      -0.301  -2.932 -11.155  1.00  0.00           H   new
ATOM    626  N   TYR A  42      -0.667   0.903  -6.054  1.00  0.00           N
ATOM    627  CA  TYR A  42      -0.537   1.466  -4.721  1.00  0.00           C
ATOM    628  C   TYR A  42       0.055   0.405  -3.792  1.00  0.00           C
ATOM    629  O   TYR A  42      -0.035  -0.801  -4.039  1.00  0.00           O
ATOM    630  CB  TYR A  42      -1.918   1.937  -4.243  1.00  0.00           C
ATOM    631  CG  TYR A  42      -2.601   2.863  -5.235  1.00  0.00           C
ATOM    632  CD1 TYR A  42      -2.126   4.175  -5.416  1.00  0.00           C
ATOM    633  CD2 TYR A  42      -3.652   2.388  -6.040  1.00  0.00           C
ATOM    634  CE1 TYR A  42      -2.693   5.008  -6.397  1.00  0.00           C
ATOM    635  CE2 TYR A  42      -4.222   3.211  -7.026  1.00  0.00           C
ATOM    636  CZ  TYR A  42      -3.736   4.522  -7.221  1.00  0.00           C
ATOM    637  OH  TYR A  42      -4.290   5.317  -8.181  1.00  0.00           O
ATOM      0  H   TYR A  42      -1.636   0.760  -6.340  1.00  0.00           H   new
ATOM      0  HA  TYR A  42       0.132   2.327  -4.722  1.00  0.00           H   new
ATOM      0  HB2 TYR A  42      -2.552   1.068  -4.068  1.00  0.00           H   new
ATOM      0  HB3 TYR A  42      -1.811   2.451  -3.288  1.00  0.00           H   new
ATOM      0  HD1 TYR A  42      -1.321   4.545  -4.798  1.00  0.00           H   new
ATOM      0  HD2 TYR A  42      -4.024   1.384  -5.899  1.00  0.00           H   new
ATOM      0  HE1 TYR A  42      -2.333   6.018  -6.522  1.00  0.00           H   new
ATOM      0  HE2 TYR A  42      -5.033   2.840  -7.635  1.00  0.00           H   new
ATOM      0  HH  TYR A  42      -4.991   4.820  -8.652  1.00  0.00           H   new
ATOM    647  N   TYR A  43       0.641   0.860  -2.692  1.00  0.00           N
ATOM    648  CA  TYR A  43       1.254   0.011  -1.691  1.00  0.00           C
ATOM    649  C   TYR A  43       0.336  -0.038  -0.480  1.00  0.00           C
ATOM    650  O   TYR A  43      -0.111   1.007  -0.001  1.00  0.00           O
ATOM    651  CB  TYR A  43       2.628   0.567  -1.305  1.00  0.00           C
ATOM    652  CG  TYR A  43       3.728   0.224  -2.287  1.00  0.00           C
ATOM    653  CD1 TYR A  43       3.821   0.883  -3.527  1.00  0.00           C
ATOM    654  CD2 TYR A  43       4.663  -0.772  -1.959  1.00  0.00           C
ATOM    655  CE1 TYR A  43       4.863   0.573  -4.418  1.00  0.00           C
ATOM    656  CE2 TYR A  43       5.710  -1.083  -2.837  1.00  0.00           C
ATOM    657  CZ  TYR A  43       5.822  -0.406  -4.073  1.00  0.00           C
ATOM    658  OH  TYR A  43       6.830  -0.707  -4.940  1.00  0.00           O
ATOM      0  H   TYR A  43       0.702   1.854  -2.470  1.00  0.00           H   new
ATOM      0  HA  TYR A  43       1.397  -0.996  -2.084  1.00  0.00           H   new
ATOM      0  HB2 TYR A  43       2.558   1.651  -1.217  1.00  0.00           H   new
ATOM      0  HB3 TYR A  43       2.900   0.184  -0.321  1.00  0.00           H   new
ATOM      0  HD1 TYR A  43       3.089   1.630  -3.795  1.00  0.00           H   new
ATOM      0  HD2 TYR A  43       4.574  -1.302  -1.022  1.00  0.00           H   new
ATOM      0  HE1 TYR A  43       4.931   1.084  -5.367  1.00  0.00           H   new
ATOM      0  HE2 TYR A  43       6.432  -1.840  -2.569  1.00  0.00           H   new
ATOM      0  HH  TYR A  43       7.480  -1.290  -4.496  1.00  0.00           H   new
ATOM    668  N   TYR A  44       0.087  -1.232   0.046  1.00  0.00           N
ATOM    669  CA  TYR A  44      -0.692  -1.425   1.256  1.00  0.00           C
ATOM    670  C   TYR A  44       0.261  -1.397   2.436  1.00  0.00           C
ATOM    671  O   TYR A  44       1.180  -2.206   2.555  1.00  0.00           O
ATOM    672  CB  TYR A  44      -1.527  -2.703   1.195  1.00  0.00           C
ATOM    673  CG  TYR A  44      -2.186  -3.050   2.517  1.00  0.00           C
ATOM    674  CD1 TYR A  44      -3.333  -2.356   2.954  1.00  0.00           C
ATOM    675  CD2 TYR A  44      -1.613  -4.035   3.339  1.00  0.00           C
ATOM    676  CE1 TYR A  44      -3.957  -2.709   4.168  1.00  0.00           C
ATOM    677  CE2 TYR A  44      -2.216  -4.377   4.556  1.00  0.00           C
ATOM    678  CZ  TYR A  44      -3.407  -3.744   4.961  1.00  0.00           C
ATOM    679  OH  TYR A  44      -3.982  -4.142   6.125  1.00  0.00           O
ATOM      0  H   TYR A  44       0.426  -2.102  -0.364  1.00  0.00           H   new
ATOM      0  HA  TYR A  44      -1.418  -0.620   1.368  1.00  0.00           H   new
ATOM      0  HB2 TYR A  44      -2.297  -2.590   0.431  1.00  0.00           H   new
ATOM      0  HB3 TYR A  44      -0.890  -3.531   0.886  1.00  0.00           H   new
ATOM      0  HD1 TYR A  44      -3.735  -1.551   2.357  1.00  0.00           H   new
ATOM      0  HD2 TYR A  44      -0.704  -4.530   3.031  1.00  0.00           H   new
ATOM      0  HE1 TYR A  44      -4.849  -2.193   4.491  1.00  0.00           H   new
ATOM      0  HE2 TYR A  44      -1.766  -5.129   5.187  1.00  0.00           H   new
ATOM      0  HH  TYR A  44      -3.453  -4.866   6.520  1.00  0.00           H   new
ATOM    689  N   ASN A  45       0.036  -0.420   3.299  1.00  0.00           N
ATOM    690  CA  ASN A  45       0.771  -0.167   4.514  1.00  0.00           C
ATOM    691  C   ASN A  45       0.009  -0.804   5.663  1.00  0.00           C
ATOM    692  O   ASN A  45      -0.801  -0.135   6.311  1.00  0.00           O
ATOM    693  CB  ASN A  45       0.897   1.344   4.692  1.00  0.00           C
ATOM    694  CG  ASN A  45       1.505   1.687   6.035  1.00  0.00           C
ATOM    695  OD1 ASN A  45       2.478   1.081   6.461  1.00  0.00           O
ATOM    696  ND2 ASN A  45       0.938   2.655   6.729  1.00  0.00           N
ATOM      0  H   ASN A  45      -0.713   0.257   3.155  1.00  0.00           H   new
ATOM      0  HA  ASN A  45       1.774  -0.593   4.481  1.00  0.00           H   new
ATOM      0  HB2 ASN A  45       1.514   1.757   3.894  1.00  0.00           H   new
ATOM      0  HB3 ASN A  45      -0.086   1.806   4.606  1.00  0.00           H   new
ATOM      0 HD21 ASN A  45       1.310   2.913   7.643  1.00  0.00           H   new
ATOM      0 HD22 ASN A  45       0.127   3.146   6.352  1.00  0.00           H   new
ATOM    703  N   ALA A  46       0.260  -2.092   5.910  1.00  0.00           N
ATOM    704  CA  ALA A  46      -0.377  -2.858   6.982  1.00  0.00           C
ATOM    705  C   ALA A  46      -0.289  -2.127   8.324  1.00  0.00           C
ATOM    706  O   ALA A  46      -1.245  -2.136   9.097  1.00  0.00           O
ATOM    707  CB  ALA A  46       0.277  -4.236   7.114  1.00  0.00           C
ATOM      0  H   ALA A  46       0.923  -2.640   5.361  1.00  0.00           H   new
ATOM      0  HA  ALA A  46      -1.428  -2.973   6.719  1.00  0.00           H   new
ATOM      0  HB1 ALA A  46      -0.208  -4.794   7.915  1.00  0.00           H   new
ATOM      0  HB2 ALA A  46       0.170  -4.781   6.176  1.00  0.00           H   new
ATOM      0  HB3 ALA A  46       1.336  -4.116   7.345  1.00  0.00           H   new
ATOM    713  N   GLN A  47       0.830  -1.438   8.564  1.00  0.00           N
ATOM    714  CA  GLN A  47       1.177  -0.724   9.773  1.00  0.00           C
ATOM    715  C   GLN A  47       0.047   0.163  10.291  1.00  0.00           C
ATOM    716  O   GLN A  47      -0.166   0.260  11.499  1.00  0.00           O
ATOM    717  CB  GLN A  47       2.422   0.114   9.462  1.00  0.00           C
ATOM    718  CG  GLN A  47       3.332   0.152  10.675  1.00  0.00           C
ATOM    719  CD  GLN A  47       4.326   1.302  10.580  1.00  0.00           C
ATOM    720  OE1 GLN A  47       3.988   2.443  10.903  1.00  0.00           O
ATOM    721  NE2 GLN A  47       5.547   1.054  10.142  1.00  0.00           N
ATOM      0  H   GLN A  47       1.564  -1.366   7.860  1.00  0.00           H   new
ATOM      0  HA  GLN A  47       1.367  -1.445  10.568  1.00  0.00           H   new
ATOM      0  HB2 GLN A  47       2.954  -0.310   8.610  1.00  0.00           H   new
ATOM      0  HB3 GLN A  47       2.130   1.126   9.183  1.00  0.00           H   new
ATOM      0  HG2 GLN A  47       2.733   0.259  11.579  1.00  0.00           H   new
ATOM      0  HG3 GLN A  47       3.870  -0.792  10.759  1.00  0.00           H   new
ATOM      0 HE21 GLN A  47       5.811   0.105   9.879  1.00  0.00           H   new
ATOM      0 HE22 GLN A  47       6.226   1.812  10.067  1.00  0.00           H   new
ATOM    730  N   SER A  48      -0.692   0.803   9.389  1.00  0.00           N
ATOM    731  CA  SER A  48      -1.844   1.622   9.702  1.00  0.00           C
ATOM    732  C   SER A  48      -2.983   1.310   8.724  1.00  0.00           C
ATOM    733  O   SER A  48      -3.812   2.178   8.455  1.00  0.00           O
ATOM    734  CB  SER A  48      -1.399   3.085   9.670  1.00  0.00           C
ATOM    735  OG  SER A  48      -0.225   3.282  10.446  1.00  0.00           O
ATOM      0  H   SER A  48      -0.493   0.760   8.389  1.00  0.00           H   new
ATOM      0  HA  SER A  48      -2.235   1.409  10.697  1.00  0.00           H   new
ATOM      0  HB2 SER A  48      -1.212   3.389   8.640  1.00  0.00           H   new
ATOM      0  HB3 SER A  48      -2.200   3.720  10.049  1.00  0.00           H   new
ATOM      0  HG  SER A  48       0.038   4.225  10.407  1.00  0.00           H   new
ATOM    741  N   GLN A  49      -2.973   0.102   8.138  1.00  0.00           N
ATOM    742  CA  GLN A  49      -3.870  -0.433   7.103  1.00  0.00           C
ATOM    743  C   GLN A  49      -4.160   0.544   5.943  1.00  0.00           C
ATOM    744  O   GLN A  49      -5.184   0.447   5.262  1.00  0.00           O
ATOM    745  CB  GLN A  49      -5.070  -1.203   7.690  1.00  0.00           C
ATOM    746  CG  GLN A  49      -5.586  -0.579   8.979  1.00  0.00           C
ATOM    747  CD  GLN A  49      -6.937  -1.106   9.458  1.00  0.00           C
ATOM    748  OE1 GLN A  49      -7.740  -1.636   8.692  1.00  0.00           O
ATOM    749  NE2 GLN A  49      -7.252  -0.887  10.725  1.00  0.00           N
ATOM      0  H   GLN A  49      -2.271  -0.589   8.402  1.00  0.00           H   new
ATOM      0  HA  GLN A  49      -3.313  -1.211   6.581  1.00  0.00           H   new
ATOM      0  HB2 GLN A  49      -5.875  -1.231   6.955  1.00  0.00           H   new
ATOM      0  HB3 GLN A  49      -4.777  -2.235   7.881  1.00  0.00           H   new
ATOM      0  HG2 GLN A  49      -4.849  -0.745   9.765  1.00  0.00           H   new
ATOM      0  HG3 GLN A  49      -5.663   0.499   8.837  1.00  0.00           H   new
ATOM      0 HE21 GLN A  49      -6.577  -0.447  11.350  1.00  0.00           H   new
ATOM      0 HE22 GLN A  49      -8.170  -1.159  11.077  1.00  0.00           H   new
ATOM    758  N   GLN A  50      -3.252   1.500   5.729  1.00  0.00           N
ATOM    759  CA  GLN A  50      -3.384   2.630   4.828  1.00  0.00           C
ATOM    760  C   GLN A  50      -2.816   2.311   3.451  1.00  0.00           C
ATOM    761  O   GLN A  50      -2.210   1.258   3.258  1.00  0.00           O
ATOM    762  CB  GLN A  50      -2.707   3.853   5.483  1.00  0.00           C
ATOM    763  CG  GLN A  50      -3.562   5.125   5.386  1.00  0.00           C
ATOM    764  CD  GLN A  50      -5.011   4.952   5.856  1.00  0.00           C
ATOM    765  OE1 GLN A  50      -5.922   5.558   5.296  1.00  0.00           O
ATOM    766  NE2 GLN A  50      -5.263   4.104   6.842  1.00  0.00           N
ATOM      0  H   GLN A  50      -2.354   1.498   6.213  1.00  0.00           H   new
ATOM      0  HA  GLN A  50      -4.437   2.858   4.663  1.00  0.00           H   new
ATOM      0  HB2 GLN A  50      -2.506   3.634   6.532  1.00  0.00           H   new
ATOM      0  HB3 GLN A  50      -1.744   4.030   5.004  1.00  0.00           H   new
ATOM      0  HG2 GLN A  50      -3.092   5.910   5.978  1.00  0.00           H   new
ATOM      0  HG3 GLN A  50      -3.567   5.467   4.351  1.00  0.00           H   new
ATOM      0 HE21 GLN A  50      -4.496   3.608   7.297  1.00  0.00           H   new
ATOM      0 HE22 GLN A  50      -6.224   3.947   7.146  1.00  0.00           H   new
ATOM    775  N   TYR A  51      -3.023   3.212   2.490  1.00  0.00           N
ATOM    776  CA  TYR A  51      -2.589   3.038   1.117  1.00  0.00           C
ATOM    777  C   TYR A  51      -1.606   4.156   0.818  1.00  0.00           C
ATOM    778  O   TYR A  51      -1.870   5.326   1.111  1.00  0.00           O
ATOM    779  CB  TYR A  51      -3.768   3.080   0.137  1.00  0.00           C
ATOM    780  CG  TYR A  51      -4.601   1.811   0.049  1.00  0.00           C
ATOM    781  CD1 TYR A  51      -5.112   1.217   1.215  1.00  0.00           C
ATOM    782  CD2 TYR A  51      -4.905   1.239  -1.201  1.00  0.00           C
ATOM    783  CE1 TYR A  51      -5.959   0.106   1.153  1.00  0.00           C
ATOM    784  CE2 TYR A  51      -5.790   0.144  -1.275  1.00  0.00           C
ATOM    785  CZ  TYR A  51      -6.346  -0.408  -0.100  1.00  0.00           C
ATOM    786  OH  TYR A  51      -7.293  -1.385  -0.169  1.00  0.00           O
ATOM      0  H   TYR A  51      -3.506   4.096   2.654  1.00  0.00           H   new
ATOM      0  HA  TYR A  51      -2.124   2.060   0.994  1.00  0.00           H   new
ATOM      0  HB2 TYR A  51      -4.423   3.903   0.422  1.00  0.00           H   new
ATOM      0  HB3 TYR A  51      -3.382   3.308  -0.857  1.00  0.00           H   new
ATOM      0  HD1 TYR A  51      -4.845   1.626   2.178  1.00  0.00           H   new
ATOM      0  HD2 TYR A  51      -4.461   1.638  -2.101  1.00  0.00           H   new
ATOM      0  HE1 TYR A  51      -6.315  -0.356   2.062  1.00  0.00           H   new
ATOM      0  HE2 TYR A  51      -6.045  -0.276  -2.237  1.00  0.00           H   new
ATOM      0  HH  TYR A  51      -7.445  -1.627  -1.106  1.00  0.00           H   new
ATOM    796  N   LEU A  52      -0.467   3.792   0.247  1.00  0.00           N
ATOM    797  CA  LEU A  52       0.646   4.666  -0.078  1.00  0.00           C
ATOM    798  C   LEU A  52       0.967   4.484  -1.558  1.00  0.00           C
ATOM    799  O   LEU A  52       0.382   3.631  -2.225  1.00  0.00           O
ATOM    800  CB  LEU A  52       1.871   4.322   0.790  1.00  0.00           C
ATOM    801  CG  LEU A  52       1.616   4.238   2.306  1.00  0.00           C
ATOM    802  CD1 LEU A  52       2.913   3.828   2.998  1.00  0.00           C
ATOM    803  CD2 LEU A  52       1.118   5.541   2.931  1.00  0.00           C
ATOM      0  H   LEU A  52      -0.287   2.823  -0.016  1.00  0.00           H   new
ATOM      0  HA  LEU A  52       0.383   5.704   0.123  1.00  0.00           H   new
ATOM      0  HB2 LEU A  52       2.273   3.366   0.455  1.00  0.00           H   new
ATOM      0  HB3 LEU A  52       2.641   5.072   0.611  1.00  0.00           H   new
ATOM      0  HG  LEU A  52       0.823   3.504   2.447  1.00  0.00           H   new
ATOM      0 HD11 LEU A  52       2.747   3.764   4.073  1.00  0.00           H   new
ATOM      0 HD12 LEU A  52       3.234   2.857   2.622  1.00  0.00           H   new
ATOM      0 HD13 LEU A  52       3.685   4.570   2.793  1.00  0.00           H   new
ATOM      0 HD21 LEU A  52       0.963   5.396   4.000  1.00  0.00           H   new
ATOM      0 HD22 LEU A  52       1.858   6.326   2.775  1.00  0.00           H   new
ATOM      0 HD23 LEU A  52       0.177   5.832   2.464  1.00  0.00           H   new
ATOM    815  N   TYR A  53       1.918   5.250  -2.071  1.00  0.00           N
ATOM    816  CA  TYR A  53       2.510   5.040  -3.379  1.00  0.00           C
ATOM    817  C   TYR A  53       4.006   5.302  -3.258  1.00  0.00           C
ATOM    818  O   TYR A  53       4.435   6.097  -2.412  1.00  0.00           O
ATOM    819  CB  TYR A  53       1.832   5.923  -4.440  1.00  0.00           C
ATOM    820  CG  TYR A  53       1.927   7.429  -4.241  1.00  0.00           C
ATOM    821  CD1 TYR A  53       1.184   8.051  -3.223  1.00  0.00           C
ATOM    822  CD2 TYR A  53       2.735   8.217  -5.085  1.00  0.00           C
ATOM    823  CE1 TYR A  53       1.252   9.434  -3.024  1.00  0.00           C
ATOM    824  CE2 TYR A  53       2.807   9.612  -4.902  1.00  0.00           C
ATOM    825  CZ  TYR A  53       2.068  10.221  -3.861  1.00  0.00           C
ATOM    826  OH  TYR A  53       2.190  11.544  -3.576  1.00  0.00           O
ATOM      0  H   TYR A  53       2.307   6.053  -1.576  1.00  0.00           H   new
ATOM      0  HA  TYR A  53       2.357   4.014  -3.714  1.00  0.00           H   new
ATOM      0  HB2 TYR A  53       2.264   5.681  -5.411  1.00  0.00           H   new
ATOM      0  HB3 TYR A  53       0.777   5.652  -4.484  1.00  0.00           H   new
ATOM      0  HD1 TYR A  53       0.551   7.452  -2.585  1.00  0.00           H   new
ATOM      0  HD2 TYR A  53       3.302   7.749  -5.876  1.00  0.00           H   new
ATOM      0  HE1 TYR A  53       0.682   9.897  -2.232  1.00  0.00           H   new
ATOM      0  HE2 TYR A  53       3.424  10.214  -5.553  1.00  0.00           H   new
ATOM      0  HH  TYR A  53       2.782  11.967  -4.232  1.00  0.00           H   new
ATOM    836  N   TRP A  54       4.793   4.604  -4.074  1.00  0.00           N
ATOM    837  CA  TRP A  54       6.217   4.847  -4.203  1.00  0.00           C
ATOM    838  C   TRP A  54       6.393   6.078  -5.086  1.00  0.00           C
ATOM    839  O   TRP A  54       5.851   6.140  -6.198  1.00  0.00           O
ATOM    840  CB  TRP A  54       6.921   3.615  -4.794  1.00  0.00           C
ATOM    841  CG  TRP A  54       8.360   3.830  -5.150  1.00  0.00           C
ATOM    842  CD1 TRP A  54       8.915   3.625  -6.363  1.00  0.00           C
ATOM    843  CD2 TRP A  54       9.439   4.316  -4.303  1.00  0.00           C
ATOM    844  NE1 TRP A  54      10.250   3.979  -6.336  1.00  0.00           N
ATOM    845  CE2 TRP A  54      10.632   4.398  -5.079  1.00  0.00           C
ATOM    846  CE3 TRP A  54       9.523   4.697  -2.950  1.00  0.00           C
ATOM    847  CZ2 TRP A  54      11.851   4.825  -4.529  1.00  0.00           C
ATOM    848  CZ3 TRP A  54      10.734   5.130  -2.392  1.00  0.00           C
ATOM    849  CH2 TRP A  54      11.903   5.182  -3.171  1.00  0.00           C
ATOM      0  H   TRP A  54       4.451   3.848  -4.667  1.00  0.00           H   new
ATOM      0  HA  TRP A  54       6.672   5.027  -3.229  1.00  0.00           H   new
ATOM      0  HB2 TRP A  54       6.856   2.797  -4.077  1.00  0.00           H   new
ATOM      0  HB3 TRP A  54       6.383   3.299  -5.687  1.00  0.00           H   new
ATOM      0  HD1 TRP A  54       8.393   3.241  -7.227  1.00  0.00           H   new
ATOM      0  HE1 TRP A  54      10.873   3.936  -7.142  1.00  0.00           H   new
ATOM      0  HE3 TRP A  54       8.639   4.655  -2.331  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  54      12.738   4.878  -5.142  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  54      10.769   5.426  -1.354  1.00  0.00           H   new
ATOM      0  HH2 TRP A  54      12.837   5.495  -2.728  1.00  0.00           H   new
ATOM    860  N   ASP A  55       7.148   7.064  -4.611  1.00  0.00           N
ATOM    861  CA  ASP A  55       7.398   8.297  -5.335  1.00  0.00           C
ATOM    862  C   ASP A  55       8.885   8.461  -5.555  1.00  0.00           C
ATOM    863  O   ASP A  55       9.589   9.093  -4.766  1.00  0.00           O
ATOM    864  CB  ASP A  55       6.735   9.488  -4.645  1.00  0.00           C
ATOM    865  CG  ASP A  55       6.655  10.677  -5.590  1.00  0.00           C
ATOM    866  OD1 ASP A  55       5.998  10.521  -6.648  1.00  0.00           O
ATOM    867  OD2 ASP A  55       7.202  11.751  -5.259  1.00  0.00           O
ATOM      0  H   ASP A  55       7.607   7.025  -3.701  1.00  0.00           H   new
ATOM      0  HA  ASP A  55       6.936   8.250  -6.321  1.00  0.00           H   new
ATOM      0  HB2 ASP A  55       5.734   9.212  -4.313  1.00  0.00           H   new
ATOM      0  HB3 ASP A  55       7.302   9.761  -3.755  1.00  0.00           H   new
ATOM    872  N   GLY A  56       9.367   7.872  -6.649  1.00  0.00           N
ATOM    873  CA  GLY A  56      10.742   7.972  -7.098  1.00  0.00           C
ATOM    874  C   GLY A  56      11.157   9.419  -7.351  1.00  0.00           C
ATOM    875  O   GLY A  56      12.349   9.709  -7.290  1.00  0.00           O
ATOM      0  H   GLY A  56       8.788   7.296  -7.261  1.00  0.00           H   new
ATOM      0  HA2 GLY A  56      11.401   7.531  -6.350  1.00  0.00           H   new
ATOM      0  HA3 GLY A  56      10.868   7.393  -8.013  1.00  0.00           H   new
ATOM    879  N   GLU A  57      10.204  10.347  -7.532  1.00  0.00           N
ATOM    880  CA  GLU A  57      10.504  11.768  -7.707  1.00  0.00           C
ATOM    881  C   GLU A  57      11.251  12.285  -6.474  1.00  0.00           C
ATOM    882  O   GLU A  57      12.118  13.155  -6.579  1.00  0.00           O
ATOM    883  CB  GLU A  57       9.233  12.606  -7.889  1.00  0.00           C
ATOM    884  CG  GLU A  57       8.177  12.040  -8.838  1.00  0.00           C
ATOM    885  CD  GLU A  57       8.638  11.894 -10.284  1.00  0.00           C
ATOM    886  OE1 GLU A  57       9.456  10.990 -10.570  1.00  0.00           O
ATOM    887  OE2 GLU A  57       8.102  12.620 -11.148  1.00  0.00           O
ATOM      0  H   GLU A  57       9.208  10.129  -7.560  1.00  0.00           H   new
ATOM      0  HA  GLU A  57      11.113  11.865  -8.606  1.00  0.00           H   new
ATOM      0  HB2 GLU A  57       8.773  12.747  -6.911  1.00  0.00           H   new
ATOM      0  HB3 GLU A  57       9.523  13.593  -8.250  1.00  0.00           H   new
ATOM      0  HG2 GLU A  57       7.863  11.063  -8.470  1.00  0.00           H   new
ATOM      0  HG3 GLU A  57       7.300  12.687  -8.813  1.00  0.00           H   new
ATOM    894  N   ARG A  58      10.895  11.746  -5.302  1.00  0.00           N
ATOM    895  CA  ARG A  58      11.322  12.164  -3.974  1.00  0.00           C
ATOM    896  C   ARG A  58      12.012  11.019  -3.218  1.00  0.00           C
ATOM    897  O   ARG A  58      12.437  11.229  -2.083  1.00  0.00           O
ATOM    898  CB  ARG A  58      10.069  12.668  -3.227  1.00  0.00           C
ATOM    899  CG  ARG A  58       9.494  13.961  -3.835  1.00  0.00           C
ATOM    900  CD  ARG A  58       8.250  14.458  -3.077  1.00  0.00           C
ATOM    901  NE  ARG A  58       8.235  15.928  -2.960  1.00  0.00           N
ATOM    902  CZ  ARG A  58       7.520  16.654  -2.088  1.00  0.00           C
ATOM    903  NH1 ARG A  58       6.526  16.116  -1.390  1.00  0.00           N
ATOM    904  NH2 ARG A  58       7.823  17.931  -1.907  1.00  0.00           N
ATOM      0  H   ARG A  58      10.257  10.952  -5.261  1.00  0.00           H   new
ATOM      0  HA  ARG A  58      12.062  12.961  -4.047  1.00  0.00           H   new
ATOM      0  HB2 ARG A  58       9.304  11.892  -3.244  1.00  0.00           H   new
ATOM      0  HB3 ARG A  58      10.321  12.844  -2.181  1.00  0.00           H   new
ATOM      0  HG2 ARG A  58      10.259  14.737  -3.823  1.00  0.00           H   new
ATOM      0  HG3 ARG A  58       9.235  13.785  -4.879  1.00  0.00           H   new
ATOM      0  HD2 ARG A  58       7.351  14.125  -3.595  1.00  0.00           H   new
ATOM      0  HD3 ARG A  58       8.228  14.013  -2.082  1.00  0.00           H   new
ATOM      0  HE  ARG A  58       8.829  16.445  -3.608  1.00  0.00           H   new
ATOM      0 HH11 ARG A  58       6.292  15.131  -1.512  1.00  0.00           H   new
ATOM      0 HH12 ARG A  58       5.996  16.688  -0.733  1.00  0.00           H   new
ATOM      0 HH21 ARG A  58       8.593  18.351  -2.428  1.00  0.00           H   new
ATOM      0 HH22 ARG A  58       7.287  18.494  -1.247  1.00  0.00           H   new
ATOM    918  N   ARG A  59      12.105   9.827  -3.823  1.00  0.00           N
ATOM    919  CA  ARG A  59      12.552   8.559  -3.241  1.00  0.00           C
ATOM    920  C   ARG A  59      11.941   8.331  -1.861  1.00  0.00           C
ATOM    921  O   ARG A  59      12.670   8.092  -0.892  1.00  0.00           O
ATOM    922  CB  ARG A  59      14.077   8.424  -3.215  1.00  0.00           C
ATOM    923  CG  ARG A  59      14.771   8.486  -4.583  1.00  0.00           C
ATOM    924  CD  ARG A  59      16.275   8.313  -4.328  1.00  0.00           C
ATOM    925  NE  ARG A  59      17.078   8.230  -5.555  1.00  0.00           N
ATOM    926  CZ  ARG A  59      18.169   8.951  -5.840  1.00  0.00           C
ATOM    927  NH1 ARG A  59      18.517  10.025  -5.139  1.00  0.00           N
ATOM    928  NH2 ARG A  59      18.925   8.570  -6.857  1.00  0.00           N
ATOM      0  H   ARG A  59      11.850   9.718  -4.805  1.00  0.00           H   new
ATOM      0  HA  ARG A  59      12.187   7.770  -3.899  1.00  0.00           H   new
ATOM      0  HB2 ARG A  59      14.483   9.215  -2.585  1.00  0.00           H   new
ATOM      0  HB3 ARG A  59      14.332   7.476  -2.741  1.00  0.00           H   new
ATOM      0  HG2 ARG A  59      14.398   7.701  -5.241  1.00  0.00           H   new
ATOM      0  HG3 ARG A  59      14.570   9.437  -5.075  1.00  0.00           H   new
ATOM      0  HD2 ARG A  59      16.631   9.150  -3.728  1.00  0.00           H   new
ATOM      0  HD3 ARG A  59      16.433   7.409  -3.740  1.00  0.00           H   new
ATOM      0  HE  ARG A  59      16.774   7.557  -6.259  1.00  0.00           H   new
ATOM      0 HH11 ARG A  59      17.944  10.327  -4.351  1.00  0.00           H   new
ATOM      0 HH12 ARG A  59      19.357  10.547  -5.389  1.00  0.00           H   new
ATOM      0 HH21 ARG A  59      18.670   7.746  -7.401  1.00  0.00           H   new
ATOM      0 HH22 ARG A  59      19.762   9.101  -7.097  1.00  0.00           H   new
ATOM    942  N   THR A  60      10.619   8.388  -1.751  1.00  0.00           N
ATOM    943  CA  THR A  60       9.953   8.087  -0.495  1.00  0.00           C
ATOM    944  C   THR A  60       8.578   7.476  -0.767  1.00  0.00           C
ATOM    945  O   THR A  60       8.143   7.395  -1.918  1.00  0.00           O
ATOM    946  CB  THR A  60       9.917   9.358   0.373  1.00  0.00           C
ATOM    947  OG1 THR A  60       9.541   9.007   1.686  1.00  0.00           O
ATOM    948  CG2 THR A  60       8.973  10.428  -0.187  1.00  0.00           C
ATOM      0  H   THR A  60       9.991   8.639  -2.515  1.00  0.00           H   new
ATOM      0  HA  THR A  60      10.503   7.336   0.072  1.00  0.00           H   new
ATOM      0  HB  THR A  60      10.915   9.795   0.371  1.00  0.00           H   new
ATOM      0  HG1 THR A  60      10.055   8.224   1.975  1.00  0.00           H   new
ATOM      0 HG21 THR A  60       8.987  11.302   0.464  1.00  0.00           H   new
ATOM      0 HG22 THR A  60       9.300  10.715  -1.186  1.00  0.00           H   new
ATOM      0 HG23 THR A  60       7.960  10.029  -0.238  1.00  0.00           H   new
ATOM    956  N   TYR A  61       7.891   7.065   0.300  1.00  0.00           N
ATOM    957  CA  TYR A  61       6.488   6.694   0.264  1.00  0.00           C
ATOM    958  C   TYR A  61       5.668   7.869   0.755  1.00  0.00           C
ATOM    959  O   TYR A  61       6.011   8.526   1.745  1.00  0.00           O
ATOM    960  CB  TYR A  61       6.216   5.448   1.105  1.00  0.00           C
ATOM    961  CG  TYR A  61       6.826   4.233   0.458  1.00  0.00           C
ATOM    962  CD1 TYR A  61       8.159   3.900   0.745  1.00  0.00           C
ATOM    963  CD2 TYR A  61       6.110   3.527  -0.528  1.00  0.00           C
ATOM    964  CE1 TYR A  61       8.792   2.882   0.024  1.00  0.00           C
ATOM    965  CE2 TYR A  61       6.735   2.490  -1.240  1.00  0.00           C
ATOM    966  CZ  TYR A  61       8.087   2.179  -0.983  1.00  0.00           C
ATOM    967  OH  TYR A  61       8.715   1.241  -1.737  1.00  0.00           O
ATOM      0  H   TYR A  61       8.308   6.981   1.227  1.00  0.00           H   new
ATOM      0  HA  TYR A  61       6.207   6.448  -0.760  1.00  0.00           H   new
ATOM      0  HB2 TYR A  61       6.628   5.580   2.106  1.00  0.00           H   new
ATOM      0  HB3 TYR A  61       5.141   5.306   1.219  1.00  0.00           H   new
ATOM      0  HD1 TYR A  61       8.694   4.428   1.520  1.00  0.00           H   new
ATOM      0  HD2 TYR A  61       5.082   3.783  -0.736  1.00  0.00           H   new
ATOM      0  HE1 TYR A  61       9.821   2.632   0.236  1.00  0.00           H   new
ATOM      0  HE2 TYR A  61       6.182   1.933  -1.982  1.00  0.00           H   new
ATOM      0  HH  TYR A  61       8.080   0.858  -2.378  1.00  0.00           H   new
ATOM    977  N   VAL A  62       4.601   8.151   0.028  1.00  0.00           N
ATOM    978  CA  VAL A  62       3.624   9.182   0.324  1.00  0.00           C
ATOM    979  C   VAL A  62       2.216   8.562   0.336  1.00  0.00           C
ATOM    980  O   VAL A  62       2.018   7.506  -0.268  1.00  0.00           O
ATOM    981  CB  VAL A  62       3.830  10.394  -0.618  1.00  0.00           C
ATOM    982  CG1 VAL A  62       4.683  11.470   0.070  1.00  0.00           C
ATOM    983  CG2 VAL A  62       4.584  10.054  -1.922  1.00  0.00           C
ATOM      0  H   VAL A  62       4.382   7.641  -0.828  1.00  0.00           H   new
ATOM      0  HA  VAL A  62       3.759   9.594   1.324  1.00  0.00           H   new
ATOM      0  HB  VAL A  62       2.820  10.729  -0.853  1.00  0.00           H   new
ATOM      0 HG11 VAL A  62       4.818  12.314  -0.606  1.00  0.00           H   new
ATOM      0 HG12 VAL A  62       4.181  11.808   0.977  1.00  0.00           H   new
ATOM      0 HG13 VAL A  62       5.656  11.053   0.328  1.00  0.00           H   new
ATOM      0 HG21 VAL A  62       4.688  10.954  -2.527  1.00  0.00           H   new
ATOM      0 HG22 VAL A  62       5.572   9.663  -1.680  1.00  0.00           H   new
ATOM      0 HG23 VAL A  62       4.024   9.304  -2.481  1.00  0.00           H   new
ATOM    993  N   PRO A  63       1.243   9.148   1.054  1.00  0.00           N
ATOM    994  CA  PRO A  63      -0.085   8.566   1.221  1.00  0.00           C
ATOM    995  C   PRO A  63      -0.956   8.743  -0.024  1.00  0.00           C
ATOM    996  O   PRO A  63      -1.240   9.870  -0.437  1.00  0.00           O
ATOM    997  CB  PRO A  63      -0.692   9.257   2.441  1.00  0.00           C
ATOM    998  CG  PRO A  63       0.052  10.589   2.529  1.00  0.00           C
ATOM    999  CD  PRO A  63       1.421  10.295   1.933  1.00  0.00           C
ATOM      0  HA  PRO A  63      -0.022   7.488   1.366  1.00  0.00           H   new
ATOM      0  HB2 PRO A  63      -1.765   9.408   2.320  1.00  0.00           H   new
ATOM      0  HB3 PRO A  63      -0.553   8.663   3.345  1.00  0.00           H   new
ATOM      0  HG2 PRO A  63      -0.465  11.371   1.972  1.00  0.00           H   new
ATOM      0  HG3 PRO A  63       0.133  10.932   3.560  1.00  0.00           H   new
ATOM      0  HD2 PRO A  63       1.797  11.155   1.379  1.00  0.00           H   new
ATOM      0  HD3 PRO A  63       2.148  10.077   2.716  1.00  0.00           H   new
ATOM   1007  N   ALA A  64      -1.443   7.634  -0.587  1.00  0.00           N
ATOM   1008  CA  ALA A  64      -2.260   7.606  -1.798  1.00  0.00           C
ATOM   1009  C   ALA A  64      -3.743   7.888  -1.527  1.00  0.00           C
ATOM   1010  O   ALA A  64      -4.603   7.440  -2.285  1.00  0.00           O
ATOM   1011  CB  ALA A  64      -2.076   6.261  -2.517  1.00  0.00           C
ATOM      0  H   ALA A  64      -1.274   6.706  -0.200  1.00  0.00           H   new
ATOM      0  HA  ALA A  64      -1.914   8.413  -2.443  1.00  0.00           H   new
ATOM      0  HB1 ALA A  64      -2.687   6.244  -3.419  1.00  0.00           H   new
ATOM      0  HB2 ALA A  64      -1.028   6.133  -2.786  1.00  0.00           H   new
ATOM      0  HB3 ALA A  64      -2.383   5.450  -1.856  1.00  0.00           H   new