USER  MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=24
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  45 ASN     :      amide:sc=  -0.253  K(o=-0.27,f=-2.2)
USER  MOD Set 1.2: A  47 GLN     :      amide:sc= -0.0196  X(o=-0.27,f=-0.25)
USER  MOD Set 2.1: A  36 TYR OH  :   rot   15:sc=    0.64
USER  MOD Set 2.2: A  41 GLN     :      amide:sc=   0.774  K(o=1.4,f=-0.76!)
USER  MOD Set 3.1: A  18 TYR OH  :   rot  -50:sc=   0.924
USER  MOD Set 3.2: A  43 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  10 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  16 SER OG  :   rot  -19:sc=   0.324
USER  MOD Single : A  17 THR OG1 :   rot  -34:sc=  0.0909
USER  MOD Single : A  19 GLN     :FLIP  amide:sc=       0  F(o=-0.54,f=0)
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
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  31 GLN     :FLIP  amide:sc=  0.0416  F(o=-0.86,f=0.042)
USER  MOD Single : A  32 THR OG1 :   rot  100:sc=  -0.122
USER  MOD Single : A  35 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  39 ASN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A  40 SER OG  :   rot  180:sc=       0
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  48 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  49 GLN     :      amide:sc=-0.00582  K(o=-0.0058,f=-0.62)
USER  MOD Single : A  50 GLN     :      amide:sc=  -0.479  X(o=-0.48,f=-0.091)
USER  MOD Single : A  51 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  53 TYR OH  :   rot  153:sc=   0.723
USER  MOD Single : A  60 THR OG1 :   rot   43:sc=   0.201
USER  MOD Single : A  61 TYR OH  :   rot  180:sc=   -0.26
USER  MOD -----------------------------------------------------------------
ATOM    134  N   TYR A  10      11.686   8.023   3.629  1.00  0.00           N
ATOM    135  CA  TYR A  10      12.266   6.682   3.602  1.00  0.00           C
ATOM    136  C   TYR A  10      13.500   6.659   2.682  1.00  0.00           C
ATOM    137  O   TYR A  10      13.677   7.599   1.901  1.00  0.00           O
ATOM    138  CB  TYR A  10      11.226   5.664   3.111  1.00  0.00           C
ATOM    139  CG  TYR A  10      10.371   5.062   4.207  1.00  0.00           C
ATOM    140  CD1 TYR A  10       9.327   5.811   4.769  1.00  0.00           C
ATOM    141  CD2 TYR A  10      10.609   3.750   4.653  1.00  0.00           C
ATOM    142  CE1 TYR A  10       8.489   5.243   5.746  1.00  0.00           C
ATOM    143  CE2 TYR A  10       9.784   3.175   5.637  1.00  0.00           C
ATOM    144  CZ  TYR A  10       8.712   3.919   6.182  1.00  0.00           C
ATOM    145  OH  TYR A  10       7.900   3.356   7.117  1.00  0.00           O
ATOM      0  HA  TYR A  10      12.572   6.412   4.613  1.00  0.00           H   new
ATOM      0  HB2 TYR A  10      10.574   6.150   2.385  1.00  0.00           H   new
ATOM      0  HB3 TYR A  10      11.742   4.860   2.587  1.00  0.00           H   new
ATOM      0  HD1 TYR A  10       9.165   6.830   4.450  1.00  0.00           H   new
ATOM      0  HD2 TYR A  10      11.428   3.181   4.239  1.00  0.00           H   new
ATOM      0  HE1 TYR A  10       7.676   5.819   6.162  1.00  0.00           H   new
ATOM      0  HE2 TYR A  10       9.969   2.166   5.976  1.00  0.00           H   new
ATOM      0  HH  TYR A  10       8.197   2.440   7.299  1.00  0.00           H   new
ATOM    155  N   PRO A  11      14.330   5.597   2.760  1.00  0.00           N
ATOM    156  CA  PRO A  11      15.323   5.208   1.751  1.00  0.00           C
ATOM    157  C   PRO A  11      14.720   4.915   0.362  1.00  0.00           C
ATOM    158  O   PRO A  11      13.616   5.348   0.042  1.00  0.00           O
ATOM    159  CB  PRO A  11      16.101   4.028   2.361  1.00  0.00           C
ATOM    160  CG  PRO A  11      15.228   3.502   3.493  1.00  0.00           C
ATOM    161  CD  PRO A  11      14.381   4.694   3.903  1.00  0.00           C
ATOM      0  HA  PRO A  11      15.996   6.037   1.532  1.00  0.00           H   new
ATOM      0  HB2 PRO A  11      16.286   3.254   1.616  1.00  0.00           H   new
ATOM      0  HB3 PRO A  11      17.073   4.350   2.733  1.00  0.00           H   new
ATOM      0  HG2 PRO A  11      14.608   2.669   3.162  1.00  0.00           H   new
ATOM      0  HG3 PRO A  11      15.832   3.139   4.325  1.00  0.00           H   new
ATOM      0  HD2 PRO A  11      13.378   4.375   4.187  1.00  0.00           H   new
ATOM      0  HD3 PRO A  11      14.813   5.194   4.770  1.00  0.00           H   new
ATOM    169  N   VAL A  12      15.489   4.267  -0.513  1.00  0.00           N
ATOM    170  CA  VAL A  12      15.165   3.944  -1.901  1.00  0.00           C
ATOM    171  C   VAL A  12      15.355   2.430  -2.116  1.00  0.00           C
ATOM    172  O   VAL A  12      16.490   1.990  -2.338  1.00  0.00           O
ATOM    173  CB  VAL A  12      15.941   4.818  -2.896  1.00  0.00           C
ATOM    174  CG1 VAL A  12      15.498   4.485  -4.325  1.00  0.00           C
ATOM    175  CG2 VAL A  12      15.671   6.310  -2.671  1.00  0.00           C
ATOM      0  H   VAL A  12      16.417   3.932  -0.253  1.00  0.00           H   new
ATOM      0  HA  VAL A  12      14.120   4.180  -2.100  1.00  0.00           H   new
ATOM      0  HB  VAL A  12      17.001   4.614  -2.746  1.00  0.00           H   new
ATOM      0 HG11 VAL A  12      16.049   5.106  -5.031  1.00  0.00           H   new
ATOM      0 HG12 VAL A  12      15.699   3.434  -4.533  1.00  0.00           H   new
ATOM      0 HG13 VAL A  12      14.430   4.678  -4.429  1.00  0.00           H   new
ATOM      0 HG21 VAL A  12      16.238   6.896  -3.395  1.00  0.00           H   new
ATOM      0 HG22 VAL A  12      14.607   6.510  -2.796  1.00  0.00           H   new
ATOM      0 HG23 VAL A  12      15.976   6.587  -1.662  1.00  0.00           H   new
ATOM    185  N   PRO A  13      14.327   1.601  -1.865  1.00  0.00           N
ATOM    186  CA  PRO A  13      14.434   0.145  -1.901  1.00  0.00           C
ATOM    187  C   PRO A  13      14.741  -0.387  -3.312  1.00  0.00           C
ATOM    188  O   PRO A  13      14.450   0.270  -4.311  1.00  0.00           O
ATOM    189  CB  PRO A  13      13.073  -0.350  -1.406  1.00  0.00           C
ATOM    190  CG  PRO A  13      12.111   0.735  -1.891  1.00  0.00           C
ATOM    191  CD  PRO A  13      12.933   2.008  -1.739  1.00  0.00           C
ATOM      0  HA  PRO A  13      15.260  -0.210  -1.285  1.00  0.00           H   new
ATOM      0  HB2 PRO A  13      12.823  -1.326  -1.823  1.00  0.00           H   new
ATOM      0  HB3 PRO A  13      13.052  -0.452  -0.321  1.00  0.00           H   new
ATOM      0  HG2 PRO A  13      11.805   0.572  -2.925  1.00  0.00           H   new
ATOM      0  HG3 PRO A  13      11.202   0.767  -1.291  1.00  0.00           H   new
ATOM      0  HD2 PRO A  13      12.668   2.737  -2.504  1.00  0.00           H   new
ATOM      0  HD3 PRO A  13      12.749   2.479  -0.773  1.00  0.00           H   new
ATOM    199  N   ASP A  14      15.258  -1.617  -3.403  1.00  0.00           N
ATOM    200  CA  ASP A  14      15.538  -2.336  -4.652  1.00  0.00           C
ATOM    201  C   ASP A  14      15.346  -3.821  -4.356  1.00  0.00           C
ATOM    202  O   ASP A  14      15.915  -4.329  -3.387  1.00  0.00           O
ATOM    203  CB  ASP A  14      16.978  -2.079  -5.143  1.00  0.00           C
ATOM    204  CG  ASP A  14      17.263  -2.625  -6.554  1.00  0.00           C
ATOM    205  OD1 ASP A  14      16.679  -3.655  -6.964  1.00  0.00           O
ATOM    206  OD2 ASP A  14      18.138  -2.065  -7.255  1.00  0.00           O
ATOM      0  H   ASP A  14      15.503  -2.161  -2.576  1.00  0.00           H   new
ATOM      0  HA  ASP A  14      14.869  -1.992  -5.441  1.00  0.00           H   new
ATOM      0  HB2 ASP A  14      17.168  -1.006  -5.134  1.00  0.00           H   new
ATOM      0  HB3 ASP A  14      17.677  -2.532  -4.441  1.00  0.00           H   new
ATOM    211  N   VAL A  15      14.539  -4.518  -5.157  1.00  0.00           N
ATOM    212  CA  VAL A  15      14.295  -5.953  -5.022  1.00  0.00           C
ATOM    213  C   VAL A  15      15.586  -6.777  -5.172  1.00  0.00           C
ATOM    214  O   VAL A  15      15.668  -7.888  -4.649  1.00  0.00           O
ATOM    215  CB  VAL A  15      13.165  -6.363  -5.995  1.00  0.00           C
ATOM    216  CG1 VAL A  15      13.523  -6.111  -7.468  1.00  0.00           C
ATOM    217  CG2 VAL A  15      12.704  -7.818  -5.840  1.00  0.00           C
ATOM      0  H   VAL A  15      14.028  -4.093  -5.931  1.00  0.00           H   new
ATOM      0  HA  VAL A  15      13.955  -6.177  -4.011  1.00  0.00           H   new
ATOM      0  HB  VAL A  15      12.337  -5.714  -5.710  1.00  0.00           H   new
ATOM      0 HG11 VAL A  15      12.692  -6.418  -8.102  1.00  0.00           H   new
ATOM      0 HG12 VAL A  15      13.721  -5.050  -7.618  1.00  0.00           H   new
ATOM      0 HG13 VAL A  15      14.411  -6.686  -7.730  1.00  0.00           H   new
ATOM      0 HG21 VAL A  15      11.910  -8.027  -6.557  1.00  0.00           H   new
ATOM      0 HG22 VAL A  15      13.544  -8.487  -6.024  1.00  0.00           H   new
ATOM      0 HG23 VAL A  15      12.329  -7.975  -4.829  1.00  0.00           H   new
ATOM    227  N   SER A  16      16.629  -6.237  -5.807  1.00  0.00           N
ATOM    228  CA  SER A  16      17.908  -6.897  -6.049  1.00  0.00           C
ATOM    229  C   SER A  16      18.663  -7.260  -4.756  1.00  0.00           C
ATOM    230  O   SER A  16      19.684  -7.943  -4.826  1.00  0.00           O
ATOM    231  CB  SER A  16      18.726  -5.973  -6.963  1.00  0.00           C
ATOM    232  OG  SER A  16      19.993  -6.509  -7.300  1.00  0.00           O
ATOM      0  H   SER A  16      16.601  -5.288  -6.181  1.00  0.00           H   new
ATOM      0  HA  SER A  16      17.736  -7.859  -6.531  1.00  0.00           H   new
ATOM      0  HB2 SER A  16      18.163  -5.784  -7.877  1.00  0.00           H   new
ATOM      0  HB3 SER A  16      18.864  -5.011  -6.469  1.00  0.00           H   new
ATOM      0  HG  SER A  16      20.229  -7.215  -6.663  1.00  0.00           H   new
ATOM    238  N   THR A  17      18.210  -6.837  -3.575  1.00  0.00           N
ATOM    239  CA  THR A  17      18.837  -7.191  -2.303  1.00  0.00           C
ATOM    240  C   THR A  17      17.832  -7.846  -1.349  1.00  0.00           C
ATOM    241  O   THR A  17      18.110  -8.024  -0.162  1.00  0.00           O
ATOM    242  CB  THR A  17      19.616  -5.959  -1.804  1.00  0.00           C
ATOM    243  OG1 THR A  17      20.449  -6.202  -0.694  1.00  0.00           O
ATOM    244  CG2 THR A  17      18.738  -4.747  -1.487  1.00  0.00           C
ATOM      0  H   THR A  17      17.392  -6.235  -3.475  1.00  0.00           H   new
ATOM      0  HA  THR A  17      19.582  -7.981  -2.401  1.00  0.00           H   new
ATOM      0  HB  THR A  17      20.243  -5.728  -2.665  1.00  0.00           H   new
ATOM      0  HG1 THR A  17      20.035  -6.876  -0.116  1.00  0.00           H   new
ATOM      0 HG21 THR A  17      19.364  -3.924  -1.142  1.00  0.00           H   new
ATOM      0 HG22 THR A  17      18.200  -4.442  -2.385  1.00  0.00           H   new
ATOM      0 HG23 THR A  17      18.023  -5.010  -0.707  1.00  0.00           H   new
ATOM    252  N   TYR A  18      16.658  -8.231  -1.853  1.00  0.00           N
ATOM    253  CA  TYR A  18      15.668  -8.949  -1.067  1.00  0.00           C
ATOM    254  C   TYR A  18      16.097 -10.397  -0.847  1.00  0.00           C
ATOM    255  O   TYR A  18      17.051 -10.898  -1.451  1.00  0.00           O
ATOM    256  CB  TYR A  18      14.289  -8.831  -1.737  1.00  0.00           C
ATOM    257  CG  TYR A  18      13.653  -7.452  -1.693  1.00  0.00           C
ATOM    258  CD1 TYR A  18      14.327  -6.350  -1.132  1.00  0.00           C
ATOM    259  CD2 TYR A  18      12.372  -7.263  -2.242  1.00  0.00           C
ATOM    260  CE1 TYR A  18      13.755  -5.076  -1.161  1.00  0.00           C
ATOM    261  CE2 TYR A  18      11.784  -5.985  -2.273  1.00  0.00           C
ATOM    262  CZ  TYR A  18      12.470  -4.890  -1.702  1.00  0.00           C
ATOM    263  OH  TYR A  18      11.885  -3.670  -1.598  1.00  0.00           O
ATOM      0  H   TYR A  18      16.373  -8.052  -2.816  1.00  0.00           H   new
ATOM      0  HA  TYR A  18      15.590  -8.499  -0.077  1.00  0.00           H   new
ATOM      0  HB2 TYR A  18      14.385  -9.134  -2.780  1.00  0.00           H   new
ATOM      0  HB3 TYR A  18      13.612  -9.539  -1.260  1.00  0.00           H   new
ATOM      0  HD1 TYR A  18      15.295  -6.491  -0.675  1.00  0.00           H   new
ATOM      0  HD2 TYR A  18      11.834  -8.108  -2.644  1.00  0.00           H   new
ATOM      0  HE1 TYR A  18      14.301  -4.231  -0.767  1.00  0.00           H   new
ATOM      0  HE2 TYR A  18      10.816  -5.842  -2.730  1.00  0.00           H   new
ATOM      0  HH  TYR A  18      11.938  -3.360  -0.670  1.00  0.00           H   new
ATOM    273  N   GLN A  19      15.366 -11.056   0.042  1.00  0.00           N
ATOM    274  CA  GLN A  19      15.524 -12.450   0.408  1.00  0.00           C
ATOM    275  C   GLN A  19      14.279 -13.191  -0.063  1.00  0.00           C
ATOM    276  O   GLN A  19      13.220 -13.071   0.554  1.00  0.00           O
ATOM    277  CB  GLN A  19      15.685 -12.572   1.926  1.00  0.00           C
ATOM    278  CG  GLN A  19      17.022 -12.029   2.456  1.00  0.00           C
ATOM    279  CD  GLN A  19      17.225 -12.243   3.961  1.00  0.00           C
ATOM    280  OE1 GLN A  19      16.212 -12.655   4.703  1.00  0.00           O   flip
ATOM    281  NE2 GLN A  19      18.314 -12.027   4.488  1.00  0.00           N   flip
ATOM      0  H   GLN A  19      14.607 -10.605   0.552  1.00  0.00           H   new
ATOM      0  HA  GLN A  19      16.412 -12.878  -0.057  1.00  0.00           H   new
ATOM      0  HB2 GLN A  19      14.869 -12.038   2.412  1.00  0.00           H   new
ATOM      0  HB3 GLN A  19      15.592 -13.621   2.208  1.00  0.00           H   new
ATOM      0  HG2 GLN A  19      17.838 -12.510   1.917  1.00  0.00           H   new
ATOM      0  HG3 GLN A  19      17.082 -10.963   2.239  1.00  0.00           H   new
ATOM      0 HE21 GLN A  19      19.100 -11.709   3.922  1.00  0.00           H   new
ATOM      0 HE22 GLN A  19      18.431 -12.166   5.492  1.00  0.00           H   new
ATOM    290  N   TYR A  20      14.362 -13.906  -1.179  1.00  0.00           N
ATOM    291  CA  TYR A  20      13.311 -14.818  -1.600  1.00  0.00           C
ATOM    292  C   TYR A  20      13.214 -15.995  -0.631  1.00  0.00           C
ATOM    293  O   TYR A  20      14.236 -16.477  -0.134  1.00  0.00           O
ATOM    294  CB  TYR A  20      13.670 -15.291  -3.000  1.00  0.00           C
ATOM    295  CG  TYR A  20      12.643 -16.146  -3.688  1.00  0.00           C
ATOM    296  CD1 TYR A  20      11.503 -15.545  -4.244  1.00  0.00           C
ATOM    297  CD2 TYR A  20      12.838 -17.532  -3.789  1.00  0.00           C
ATOM    298  CE1 TYR A  20      10.593 -16.317  -4.987  1.00  0.00           C
ATOM    299  CE2 TYR A  20      11.913 -18.317  -4.488  1.00  0.00           C
ATOM    300  CZ  TYR A  20      10.801 -17.710  -5.119  1.00  0.00           C
ATOM    301  OH  TYR A  20       9.874 -18.467  -5.764  1.00  0.00           O
ATOM      0  H   TYR A  20      15.159 -13.868  -1.815  1.00  0.00           H   new
ATOM      0  HA  TYR A  20      12.339 -14.325  -1.604  1.00  0.00           H   new
ATOM      0  HB2 TYR A  20      13.860 -14.415  -3.621  1.00  0.00           H   new
ATOM      0  HB3 TYR A  20      14.603 -15.852  -2.945  1.00  0.00           H   new
ATOM      0  HD1 TYR A  20      11.325 -14.489  -4.101  1.00  0.00           H   new
ATOM      0  HD2 TYR A  20      13.700 -17.992  -3.329  1.00  0.00           H   new
ATOM      0  HE1 TYR A  20       9.739 -15.849  -5.455  1.00  0.00           H   new
ATOM      0  HE2 TYR A  20      12.048 -19.387  -4.546  1.00  0.00           H   new
ATOM      0  HH  TYR A  20      10.164 -19.403  -5.771  1.00  0.00           H   new
ATOM    311  N   ASP A  21      12.009 -16.522  -0.425  1.00  0.00           N
ATOM    312  CA  ASP A  21      11.767 -17.659   0.476  1.00  0.00           C
ATOM    313  C   ASP A  21      10.966 -18.741  -0.225  1.00  0.00           C
ATOM    314  O   ASP A  21       9.734 -18.704  -0.244  1.00  0.00           O
ATOM    315  CB  ASP A  21      11.058 -17.206   1.757  1.00  0.00           C
ATOM    316  CG  ASP A  21      12.049 -17.018   2.893  1.00  0.00           C
ATOM    317  OD1 ASP A  21      12.661 -18.033   3.296  1.00  0.00           O
ATOM    318  OD2 ASP A  21      12.257 -15.870   3.342  1.00  0.00           O
ATOM      0  H   ASP A  21      11.164 -16.174  -0.879  1.00  0.00           H   new
ATOM      0  HA  ASP A  21      12.735 -18.076   0.756  1.00  0.00           H   new
ATOM      0  HB2 ASP A  21      10.530 -16.271   1.573  1.00  0.00           H   new
ATOM      0  HB3 ASP A  21      10.309 -17.944   2.042  1.00  0.00           H   new
ATOM    323  N   GLU A  22      11.639 -19.663  -0.912  1.00  0.00           N
ATOM    324  CA  GLU A  22      10.984 -20.613  -1.819  1.00  0.00           C
ATOM    325  C   GLU A  22       9.927 -21.493  -1.145  1.00  0.00           C
ATOM    326  O   GLU A  22       9.022 -21.982  -1.825  1.00  0.00           O
ATOM    327  CB  GLU A  22      11.992 -21.510  -2.535  1.00  0.00           C
ATOM    328  CG  GLU A  22      13.142 -22.069  -1.712  1.00  0.00           C
ATOM    329  CD  GLU A  22      13.565 -23.413  -2.298  1.00  0.00           C
ATOM    330  OE1 GLU A  22      14.326 -23.424  -3.294  1.00  0.00           O
ATOM    331  OE2 GLU A  22      13.036 -24.452  -1.840  1.00  0.00           O
ATOM      0  H   GLU A  22      12.651 -19.775  -0.858  1.00  0.00           H   new
ATOM      0  HA  GLU A  22      10.472 -19.980  -2.544  1.00  0.00           H   new
ATOM      0  HB2 GLU A  22      11.448 -22.350  -2.967  1.00  0.00           H   new
ATOM      0  HB3 GLU A  22      12.416 -20.944  -3.365  1.00  0.00           H   new
ATOM      0  HG2 GLU A  22      13.982 -21.374  -1.718  1.00  0.00           H   new
ATOM      0  HG3 GLU A  22      12.837 -22.191  -0.673  1.00  0.00           H   new
ATOM    338  N   THR A  23      10.008 -21.653   0.174  1.00  0.00           N
ATOM    339  CA  THR A  23       9.022 -22.358   0.984  1.00  0.00           C
ATOM    340  C   THR A  23       7.614 -21.741   0.865  1.00  0.00           C
ATOM    341  O   THR A  23       6.637 -22.430   1.170  1.00  0.00           O
ATOM    342  CB  THR A  23       9.549 -22.446   2.432  1.00  0.00           C
ATOM    343  OG1 THR A  23       8.915 -23.478   3.161  1.00  0.00           O
ATOM    344  CG2 THR A  23       9.440 -21.137   3.221  1.00  0.00           C
ATOM      0  H   THR A  23      10.785 -21.284   0.723  1.00  0.00           H   new
ATOM      0  HA  THR A  23       8.894 -23.373   0.609  1.00  0.00           H   new
ATOM      0  HB  THR A  23      10.610 -22.669   2.318  1.00  0.00           H   new
ATOM      0  HG1 THR A  23       9.275 -23.504   4.072  1.00  0.00           H   new
ATOM      0 HG21 THR A  23       9.832 -21.285   4.227  1.00  0.00           H   new
ATOM      0 HG22 THR A  23      10.016 -20.360   2.718  1.00  0.00           H   new
ATOM      0 HG23 THR A  23       8.395 -20.833   3.279  1.00  0.00           H   new
ATOM    352  N   SER A  24       7.480 -20.485   0.410  1.00  0.00           N
ATOM    353  CA  SER A  24       6.184 -19.842   0.214  1.00  0.00           C
ATOM    354  C   SER A  24       6.064 -19.028  -1.086  1.00  0.00           C
ATOM    355  O   SER A  24       4.939 -18.870  -1.570  1.00  0.00           O
ATOM    356  CB  SER A  24       5.855 -18.967   1.423  1.00  0.00           C
ATOM    357  OG  SER A  24       5.804 -19.701   2.631  1.00  0.00           O
ATOM      0  H   SER A  24       8.273 -19.891   0.169  1.00  0.00           H   new
ATOM      0  HA  SER A  24       5.458 -20.649   0.116  1.00  0.00           H   new
ATOM      0  HB2 SER A  24       6.605 -18.181   1.512  1.00  0.00           H   new
ATOM      0  HB3 SER A  24       4.896 -18.476   1.260  1.00  0.00           H   new
ATOM      0  HG  SER A  24       5.592 -19.096   3.373  1.00  0.00           H   new
ATOM    363  N   GLY A  25       7.160 -18.552  -1.690  1.00  0.00           N
ATOM    364  CA  GLY A  25       7.130 -17.949  -3.031  1.00  0.00           C
ATOM    365  C   GLY A  25       7.094 -16.414  -3.066  1.00  0.00           C
ATOM    366  O   GLY A  25       6.665 -15.855  -4.074  1.00  0.00           O
ATOM      0  H   GLY A  25       8.088 -18.573  -1.267  1.00  0.00           H   new
ATOM      0  HA2 GLY A  25       8.008 -18.287  -3.582  1.00  0.00           H   new
ATOM      0  HA3 GLY A  25       6.256 -18.328  -3.561  1.00  0.00           H   new
ATOM    370  N   TYR A  26       7.489 -15.718  -1.991  1.00  0.00           N
ATOM    371  CA  TYR A  26       7.586 -14.256  -1.931  1.00  0.00           C
ATOM    372  C   TYR A  26       9.007 -13.831  -1.558  1.00  0.00           C
ATOM    373  O   TYR A  26       9.834 -14.633  -1.120  1.00  0.00           O
ATOM    374  CB  TYR A  26       6.607 -13.692  -0.890  1.00  0.00           C
ATOM    375  CG  TYR A  26       5.189 -13.461  -1.365  1.00  0.00           C
ATOM    376  CD1 TYR A  26       4.418 -14.519  -1.880  1.00  0.00           C
ATOM    377  CD2 TYR A  26       4.617 -12.184  -1.232  1.00  0.00           C
ATOM    378  CE1 TYR A  26       3.072 -14.323  -2.223  1.00  0.00           C
ATOM    379  CE2 TYR A  26       3.274 -11.977  -1.580  1.00  0.00           C
ATOM    380  CZ  TYR A  26       2.491 -13.046  -2.073  1.00  0.00           C
ATOM    381  OH  TYR A  26       1.175 -12.860  -2.366  1.00  0.00           O
ATOM      0  H   TYR A  26       7.757 -16.170  -1.117  1.00  0.00           H   new
ATOM      0  HA  TYR A  26       7.334 -13.862  -2.916  1.00  0.00           H   new
ATOM      0  HB2 TYR A  26       6.577 -14.376  -0.042  1.00  0.00           H   new
ATOM      0  HB3 TYR A  26       7.004 -12.746  -0.523  1.00  0.00           H   new
ATOM      0  HD1 TYR A  26       4.867 -15.492  -2.013  1.00  0.00           H   new
ATOM      0  HD2 TYR A  26       5.212 -11.362  -0.862  1.00  0.00           H   new
ATOM      0  HE1 TYR A  26       2.483 -15.146  -2.600  1.00  0.00           H   new
ATOM      0  HE2 TYR A  26       2.836 -10.996  -1.471  1.00  0.00           H   new
ATOM      0  HH  TYR A  26       0.934 -11.923  -2.207  1.00  0.00           H   new
ATOM    391  N   TYR A  27       9.267 -12.534  -1.685  1.00  0.00           N
ATOM    392  CA  TYR A  27      10.493 -11.884  -1.270  1.00  0.00           C
ATOM    393  C   TYR A  27      10.262 -11.147   0.044  1.00  0.00           C
ATOM    394  O   TYR A  27       9.164 -10.652   0.291  1.00  0.00           O
ATOM    395  CB  TYR A  27      10.893 -10.867  -2.336  1.00  0.00           C
ATOM    396  CG  TYR A  27      11.264 -11.471  -3.668  1.00  0.00           C
ATOM    397  CD1 TYR A  27      10.260 -11.803  -4.596  1.00  0.00           C
ATOM    398  CD2 TYR A  27      12.615 -11.726  -3.963  1.00  0.00           C
ATOM    399  CE1 TYR A  27      10.611 -12.374  -5.827  1.00  0.00           C
ATOM    400  CE2 TYR A  27      12.971 -12.291  -5.195  1.00  0.00           C
ATOM    401  CZ  TYR A  27      11.966 -12.594  -6.140  1.00  0.00           C
ATOM    402  OH  TYR A  27      12.274 -13.132  -7.343  1.00  0.00           O
ATOM      0  H   TYR A  27       8.597 -11.885  -2.098  1.00  0.00           H   new
ATOM      0  HA  TYR A  27      11.277 -12.630  -1.139  1.00  0.00           H   new
ATOM      0  HB2 TYR A  27      10.067 -10.171  -2.484  1.00  0.00           H   new
ATOM      0  HB3 TYR A  27      11.738 -10.286  -1.967  1.00  0.00           H   new
ATOM      0  HD1 TYR A  27       9.222 -11.618  -4.361  1.00  0.00           H   new
ATOM      0  HD2 TYR A  27      13.380 -11.486  -3.239  1.00  0.00           H   new
ATOM      0  HE1 TYR A  27       9.842 -12.645  -6.535  1.00  0.00           H   new
ATOM      0  HE2 TYR A  27      14.008 -12.494  -5.421  1.00  0.00           H   new
ATOM      0  HH  TYR A  27      13.246 -13.225  -7.420  1.00  0.00           H   new
ATOM    412  N   TYR A  28      11.321 -10.971   0.824  1.00  0.00           N
ATOM    413  CA  TYR A  28      11.370 -10.165   2.034  1.00  0.00           C
ATOM    414  C   TYR A  28      12.398  -9.050   1.839  1.00  0.00           C
ATOM    415  O   TYR A  28      13.446  -9.274   1.233  1.00  0.00           O
ATOM    416  CB  TYR A  28      11.769 -11.067   3.202  1.00  0.00           C
ATOM    417  CG  TYR A  28      12.114 -10.343   4.483  1.00  0.00           C
ATOM    418  CD1 TYR A  28      11.102  -9.713   5.229  1.00  0.00           C
ATOM    419  CD2 TYR A  28      13.447 -10.316   4.932  1.00  0.00           C
ATOM    420  CE1 TYR A  28      11.411  -9.109   6.461  1.00  0.00           C
ATOM    421  CE2 TYR A  28      13.771  -9.697   6.147  1.00  0.00           C
ATOM    422  CZ  TYR A  28      12.749  -9.106   6.921  1.00  0.00           C
ATOM    423  OH  TYR A  28      13.050  -8.591   8.142  1.00  0.00           O
ATOM      0  H   TYR A  28      12.217 -11.412   0.617  1.00  0.00           H   new
ATOM      0  HA  TYR A  28      10.399  -9.717   2.245  1.00  0.00           H   new
ATOM      0  HB2 TYR A  28      10.951 -11.758   3.403  1.00  0.00           H   new
ATOM      0  HB3 TYR A  28      12.627 -11.668   2.900  1.00  0.00           H   new
ATOM      0  HD1 TYR A  28      10.089  -9.693   4.856  1.00  0.00           H   new
ATOM      0  HD2 TYR A  28      14.224 -10.774   4.338  1.00  0.00           H   new
ATOM      0  HE1 TYR A  28      10.632  -8.650   7.052  1.00  0.00           H   new
ATOM      0  HE2 TYR A  28      14.795  -9.672   6.489  1.00  0.00           H   new
ATOM      0  HH  TYR A  28      14.014  -8.669   8.301  1.00  0.00           H   new
ATOM    433  N   ASP A  29      12.117  -7.871   2.386  1.00  0.00           N
ATOM    434  CA  ASP A  29      12.898  -6.640   2.262  1.00  0.00           C
ATOM    435  C   ASP A  29      13.659  -6.313   3.550  1.00  0.00           C
ATOM    436  O   ASP A  29      13.117  -5.600   4.394  1.00  0.00           O
ATOM    437  CB  ASP A  29      12.042  -5.452   1.808  1.00  0.00           C
ATOM    438  CG  ASP A  29      12.851  -4.173   1.586  1.00  0.00           C
ATOM    439  OD1 ASP A  29      14.085  -4.207   1.765  1.00  0.00           O
ATOM    440  OD2 ASP A  29      12.247  -3.159   1.150  1.00  0.00           O
ATOM      0  H   ASP A  29      11.287  -7.739   2.964  1.00  0.00           H   new
ATOM      0  HA  ASP A  29      13.636  -6.822   1.481  1.00  0.00           H   new
ATOM      0  HB2 ASP A  29      11.530  -5.715   0.882  1.00  0.00           H   new
ATOM      0  HB3 ASP A  29      11.272  -5.261   2.555  1.00  0.00           H   new
ATOM    445  N   PRO A  30      14.883  -6.825   3.768  1.00  0.00           N
ATOM    446  CA  PRO A  30      15.694  -6.485   4.940  1.00  0.00           C
ATOM    447  C   PRO A  30      16.060  -4.999   5.059  1.00  0.00           C
ATOM    448  O   PRO A  30      16.664  -4.586   6.055  1.00  0.00           O
ATOM    449  CB  PRO A  30      16.971  -7.308   4.804  1.00  0.00           C
ATOM    450  CG  PRO A  30      17.083  -7.612   3.312  1.00  0.00           C
ATOM    451  CD  PRO A  30      15.638  -7.650   2.841  1.00  0.00           C
ATOM      0  HA  PRO A  30      15.116  -6.702   5.838  1.00  0.00           H   new
ATOM      0  HB2 PRO A  30      17.839  -6.753   5.161  1.00  0.00           H   new
ATOM      0  HB3 PRO A  30      16.915  -8.225   5.391  1.00  0.00           H   new
ATOM      0  HG2 PRO A  30      17.654  -6.845   2.789  1.00  0.00           H   new
ATOM      0  HG3 PRO A  30      17.587  -8.562   3.134  1.00  0.00           H   new
ATOM      0  HD2 PRO A  30      15.551  -7.270   1.823  1.00  0.00           H   new
ATOM      0  HD3 PRO A  30      15.259  -8.672   2.833  1.00  0.00           H   new
ATOM    459  N   GLN A  31      15.751  -4.175   4.061  1.00  0.00           N
ATOM    460  CA  GLN A  31      15.951  -2.738   4.172  1.00  0.00           C
ATOM    461  C   GLN A  31      14.881  -2.100   5.068  1.00  0.00           C
ATOM    462  O   GLN A  31      15.089  -0.978   5.530  1.00  0.00           O
ATOM    463  CB  GLN A  31      15.921  -2.050   2.797  1.00  0.00           C
ATOM    464  CG  GLN A  31      16.890  -2.671   1.776  1.00  0.00           C
ATOM    465  CD  GLN A  31      17.002  -1.843   0.497  1.00  0.00           C
ATOM    466  OE1 GLN A  31      16.732  -2.422  -0.665  1.00  0.00           O   flip
ATOM    467  NE2 GLN A  31      17.380  -0.670   0.520  1.00  0.00           N   flip
ATOM      0  H   GLN A  31      15.362  -4.480   3.169  1.00  0.00           H   new
ATOM      0  HA  GLN A  31      16.935  -2.595   4.617  1.00  0.00           H   new
ATOM      0  HB2 GLN A  31      14.908  -2.097   2.399  1.00  0.00           H   new
ATOM      0  HB3 GLN A  31      16.166  -0.995   2.922  1.00  0.00           H   new
ATOM      0  HG2 GLN A  31      17.876  -2.769   2.229  1.00  0.00           H   new
ATOM      0  HG3 GLN A  31      16.553  -3.677   1.525  1.00  0.00           H   new
ATOM      0 HE21 GLN A  31      17.589  -0.219   1.411  1.00  0.00           H   new
ATOM      0 HE22 GLN A  31      17.484  -0.150  -0.352  1.00  0.00           H   new
ATOM    476  N   THR A  32      13.741  -2.767   5.280  1.00  0.00           N
ATOM    477  CA  THR A  32      12.545  -2.163   5.863  1.00  0.00           C
ATOM    478  C   THR A  32      11.790  -3.117   6.784  1.00  0.00           C
ATOM    479  O   THR A  32      11.283  -2.701   7.831  1.00  0.00           O
ATOM    480  CB  THR A  32      11.606  -1.737   4.728  1.00  0.00           C
ATOM    481  OG1 THR A  32      11.390  -2.800   3.815  1.00  0.00           O
ATOM    482  CG2 THR A  32      12.152  -0.521   3.988  1.00  0.00           C
ATOM      0  H   THR A  32      13.625  -3.753   5.048  1.00  0.00           H   new
ATOM      0  HA  THR A  32      12.868  -1.312   6.462  1.00  0.00           H   new
ATOM      0  HB  THR A  32      10.652  -1.469   5.182  1.00  0.00           H   new
ATOM      0  HG1 THR A  32      10.529  -3.226   4.007  1.00  0.00           H   new
ATOM      0 HG21 THR A  32      11.465  -0.242   3.189  1.00  0.00           H   new
ATOM      0 HG22 THR A  32      12.256   0.312   4.684  1.00  0.00           H   new
ATOM      0 HG23 THR A  32      13.126  -0.762   3.561  1.00  0.00           H   new
ATOM    490  N   GLY A  33      11.686  -4.380   6.382  1.00  0.00           N
ATOM    491  CA  GLY A  33      10.939  -5.407   7.080  1.00  0.00           C
ATOM    492  C   GLY A  33       9.537  -5.575   6.505  1.00  0.00           C
ATOM    493  O   GLY A  33       8.586  -5.753   7.270  1.00  0.00           O
ATOM      0  H   GLY A  33      12.136  -4.722   5.533  1.00  0.00           H   new
ATOM      0  HA2 GLY A  33      11.475  -6.354   7.015  1.00  0.00           H   new
ATOM      0  HA3 GLY A  33      10.870  -5.152   8.137  1.00  0.00           H   new
ATOM    497  N   LEU A  34       9.391  -5.520   5.178  1.00  0.00           N
ATOM    498  CA  LEU A  34       8.144  -5.809   4.455  1.00  0.00           C
ATOM    499  C   LEU A  34       8.352  -7.048   3.577  1.00  0.00           C
ATOM    500  O   LEU A  34       9.502  -7.421   3.327  1.00  0.00           O
ATOM    501  CB  LEU A  34       7.775  -4.610   3.562  1.00  0.00           C
ATOM    502  CG  LEU A  34       7.570  -3.282   4.323  1.00  0.00           C
ATOM    503  CD1 LEU A  34       7.873  -2.107   3.388  1.00  0.00           C
ATOM    504  CD2 LEU A  34       6.151  -3.191   4.900  1.00  0.00           C
ATOM      0  H   LEU A  34      10.159  -5.266   4.556  1.00  0.00           H   new
ATOM      0  HA  LEU A  34       7.340  -5.989   5.169  1.00  0.00           H   new
ATOM      0  HB2 LEU A  34       8.561  -4.471   2.820  1.00  0.00           H   new
ATOM      0  HB3 LEU A  34       6.861  -4.847   3.018  1.00  0.00           H   new
ATOM      0  HG  LEU A  34       8.259  -3.243   5.167  1.00  0.00           H   new
ATOM      0 HD11 LEU A  34       7.729  -1.169   3.924  1.00  0.00           H   new
ATOM      0 HD12 LEU A  34       8.905  -2.173   3.043  1.00  0.00           H   new
ATOM      0 HD13 LEU A  34       7.201  -2.142   2.530  1.00  0.00           H   new
ATOM      0 HD21 LEU A  34       6.034  -2.246   5.431  1.00  0.00           H   new
ATOM      0 HD22 LEU A  34       5.424  -3.244   4.089  1.00  0.00           H   new
ATOM      0 HD23 LEU A  34       5.985  -4.018   5.591  1.00  0.00           H   new
ATOM    516  N   TYR A  35       7.283  -7.642   3.038  1.00  0.00           N
ATOM    517  CA  TYR A  35       7.375  -8.637   1.967  1.00  0.00           C
ATOM    518  C   TYR A  35       6.910  -8.035   0.640  1.00  0.00           C
ATOM    519  O   TYR A  35       6.189  -7.034   0.624  1.00  0.00           O
ATOM    520  CB  TYR A  35       6.575  -9.901   2.300  1.00  0.00           C
ATOM    521  CG  TYR A  35       7.270 -10.808   3.297  1.00  0.00           C
ATOM    522  CD1 TYR A  35       7.315 -10.459   4.661  1.00  0.00           C
ATOM    523  CD2 TYR A  35       7.912 -11.985   2.858  1.00  0.00           C
ATOM    524  CE1 TYR A  35       7.994 -11.277   5.581  1.00  0.00           C
ATOM    525  CE2 TYR A  35       8.552 -12.825   3.779  1.00  0.00           C
ATOM    526  CZ  TYR A  35       8.609 -12.473   5.145  1.00  0.00           C
ATOM    527  OH  TYR A  35       9.252 -13.277   6.037  1.00  0.00           O
ATOM      0  H   TYR A  35       6.327  -7.445   3.334  1.00  0.00           H   new
ATOM      0  HA  TYR A  35       8.421  -8.929   1.872  1.00  0.00           H   new
ATOM      0  HB2 TYR A  35       5.603  -9.612   2.699  1.00  0.00           H   new
ATOM      0  HB3 TYR A  35       6.390 -10.458   1.381  1.00  0.00           H   new
ATOM      0  HD1 TYR A  35       6.825  -9.559   5.002  1.00  0.00           H   new
ATOM      0  HD2 TYR A  35       7.910 -12.240   1.808  1.00  0.00           H   new
ATOM      0  HE1 TYR A  35       8.046 -10.992   6.621  1.00  0.00           H   new
ATOM      0  HE2 TYR A  35       9.004 -13.746   3.442  1.00  0.00           H   new
ATOM      0  HH  TYR A  35       9.617 -14.058   5.570  1.00  0.00           H   new
ATOM    537  N   TYR A  36       7.307  -8.669  -0.463  1.00  0.00           N
ATOM    538  CA  TYR A  36       7.089  -8.240  -1.836  1.00  0.00           C
ATOM    539  C   TYR A  36       6.793  -9.466  -2.707  1.00  0.00           C
ATOM    540  O   TYR A  36       7.293 -10.559  -2.428  1.00  0.00           O
ATOM    541  CB  TYR A  36       8.347  -7.490  -2.305  1.00  0.00           C
ATOM    542  CG  TYR A  36       8.408  -7.166  -3.784  1.00  0.00           C
ATOM    543  CD1 TYR A  36       8.960  -8.093  -4.686  1.00  0.00           C
ATOM    544  CD2 TYR A  36       7.915  -5.935  -4.257  1.00  0.00           C
ATOM    545  CE1 TYR A  36       9.023  -7.793  -6.057  1.00  0.00           C
ATOM    546  CE2 TYR A  36       8.012  -5.609  -5.620  1.00  0.00           C
ATOM    547  CZ  TYR A  36       8.577  -6.540  -6.527  1.00  0.00           C
ATOM    548  OH  TYR A  36       8.696  -6.252  -7.853  1.00  0.00           O
ATOM      0  H   TYR A  36       7.820  -9.549  -0.414  1.00  0.00           H   new
ATOM      0  HA  TYR A  36       6.233  -7.569  -1.914  1.00  0.00           H   new
ATOM      0  HB2 TYR A  36       8.422  -6.558  -1.745  1.00  0.00           H   new
ATOM      0  HB3 TYR A  36       9.221  -8.088  -2.047  1.00  0.00           H   new
ATOM      0  HD1 TYR A  36       9.337  -9.038  -4.324  1.00  0.00           H   new
ATOM      0  HD2 TYR A  36       7.460  -5.238  -3.569  1.00  0.00           H   new
ATOM      0  HE1 TYR A  36       9.413  -8.522  -6.752  1.00  0.00           H   new
ATOM      0  HE2 TYR A  36       7.657  -4.653  -5.975  1.00  0.00           H   new
ATOM      0  HH  TYR A  36       8.874  -7.076  -8.352  1.00  0.00           H   new
ATOM    558  N   ASP A  37       6.038  -9.284  -3.788  1.00  0.00           N
ATOM    559  CA  ASP A  37       5.732 -10.297  -4.797  1.00  0.00           C
ATOM    560  C   ASP A  37       6.144  -9.762  -6.176  1.00  0.00           C
ATOM    561  O   ASP A  37       5.947  -8.578  -6.470  1.00  0.00           O
ATOM    562  CB  ASP A  37       4.224 -10.565  -4.810  1.00  0.00           C
ATOM    563  CG  ASP A  37       3.796 -11.590  -5.862  1.00  0.00           C
ATOM    564  OD1 ASP A  37       3.750 -11.263  -7.071  1.00  0.00           O
ATOM    565  OD2 ASP A  37       3.478 -12.750  -5.514  1.00  0.00           O
ATOM      0  H   ASP A  37       5.603  -8.385  -3.994  1.00  0.00           H   new
ATOM      0  HA  ASP A  37       6.270 -11.217  -4.567  1.00  0.00           H   new
ATOM      0  HB2 ASP A  37       3.917 -10.917  -3.825  1.00  0.00           H   new
ATOM      0  HB3 ASP A  37       3.698  -9.628  -4.992  1.00  0.00           H   new
ATOM    570  N   PRO A  38       6.655 -10.623  -7.070  1.00  0.00           N
ATOM    571  CA  PRO A  38       7.224 -10.202  -8.347  1.00  0.00           C
ATOM    572  C   PRO A  38       6.199  -9.845  -9.432  1.00  0.00           C
ATOM    573  O   PRO A  38       6.547  -9.142 -10.381  1.00  0.00           O
ATOM    574  CB  PRO A  38       8.084 -11.391  -8.791  1.00  0.00           C
ATOM    575  CG  PRO A  38       7.341 -12.579  -8.180  1.00  0.00           C
ATOM    576  CD  PRO A  38       6.921 -12.031  -6.833  1.00  0.00           C
ATOM      0  HA  PRO A  38       7.779  -9.274  -8.211  1.00  0.00           H   new
ATOM      0  HB2 PRO A  38       8.145 -11.465  -9.877  1.00  0.00           H   new
ATOM      0  HB3 PRO A  38       9.106 -11.315  -8.418  1.00  0.00           H   new
ATOM      0  HG2 PRO A  38       6.484 -12.878  -8.784  1.00  0.00           H   new
ATOM      0  HG3 PRO A  38       7.983 -13.455  -8.082  1.00  0.00           H   new
ATOM      0  HD2 PRO A  38       6.035 -12.543  -6.457  1.00  0.00           H   new
ATOM      0  HD3 PRO A  38       7.707 -12.165  -6.089  1.00  0.00           H   new
ATOM    584  N   ASN A  39       4.957 -10.318  -9.342  1.00  0.00           N
ATOM    585  CA  ASN A  39       3.863  -9.980 -10.226  1.00  0.00           C
ATOM    586  C   ASN A  39       3.080  -8.802  -9.660  1.00  0.00           C
ATOM    587  O   ASN A  39       2.504  -8.011 -10.409  1.00  0.00           O
ATOM    588  CB  ASN A  39       2.893 -11.156 -10.255  1.00  0.00           C
ATOM    589  CG  ASN A  39       3.464 -12.430 -10.853  1.00  0.00           C
ATOM    590  OD1 ASN A  39       4.012 -12.425 -11.950  1.00  0.00           O
ATOM    591  ND2 ASN A  39       3.417 -13.530 -10.119  1.00  0.00           N
ATOM      0  H   ASN A  39       4.682 -10.977  -8.614  1.00  0.00           H   new
ATOM      0  HA  ASN A  39       4.266  -9.743 -11.211  1.00  0.00           H   new
ATOM      0  HB2 ASN A  39       2.563 -11.364  -9.237  1.00  0.00           H   new
ATOM      0  HB3 ASN A  39       2.009 -10.867 -10.824  1.00  0.00           H   new
ATOM      0 HD21 ASN A  39       3.841 -14.391 -10.464  1.00  0.00           H   new
ATOM      0 HD22 ASN A  39       2.957 -13.516  -9.209  1.00  0.00           H   new
ATOM    598  N   SER A  40       2.991  -8.734  -8.333  1.00  0.00           N
ATOM    599  CA  SER A  40       2.060  -7.872  -7.628  1.00  0.00           C
ATOM    600  C   SER A  40       2.839  -7.001  -6.655  1.00  0.00           C
ATOM    601  O   SER A  40       2.941  -7.302  -5.470  1.00  0.00           O
ATOM    602  CB  SER A  40       0.909  -8.694  -7.017  1.00  0.00           C
ATOM    603  OG  SER A  40       1.322  -9.760  -6.195  1.00  0.00           O
ATOM      0  H   SER A  40       3.578  -9.290  -7.711  1.00  0.00           H   new
ATOM      0  HA  SER A  40       1.557  -7.186  -8.309  1.00  0.00           H   new
ATOM      0  HB2 SER A  40       0.274  -8.027  -6.433  1.00  0.00           H   new
ATOM      0  HB3 SER A  40       0.296  -9.092  -7.825  1.00  0.00           H   new
ATOM      0  HG  SER A  40       0.535 -10.229  -5.847  1.00  0.00           H   new
ATOM    609  N   GLN A  41       3.375  -5.886  -7.158  1.00  0.00           N
ATOM    610  CA  GLN A  41       4.241  -4.925  -6.461  1.00  0.00           C
ATOM    611  C   GLN A  41       3.621  -4.299  -5.190  1.00  0.00           C
ATOM    612  O   GLN A  41       4.260  -3.483  -4.526  1.00  0.00           O
ATOM    613  CB  GLN A  41       4.666  -3.831  -7.453  1.00  0.00           C
ATOM    614  CG  GLN A  41       5.745  -4.287  -8.445  1.00  0.00           C
ATOM    615  CD  GLN A  41       5.362  -5.464  -9.340  1.00  0.00           C
ATOM    616  OE1 GLN A  41       4.293  -5.482  -9.947  1.00  0.00           O
ATOM    617  NE2 GLN A  41       6.215  -6.468  -9.436  1.00  0.00           N
ATOM      0  H   GLN A  41       3.206  -5.610  -8.125  1.00  0.00           H   new
ATOM      0  HA  GLN A  41       5.104  -5.485  -6.101  1.00  0.00           H   new
ATOM      0  HB2 GLN A  41       3.790  -3.497  -8.010  1.00  0.00           H   new
ATOM      0  HB3 GLN A  41       5.037  -2.971  -6.896  1.00  0.00           H   new
ATOM      0  HG2 GLN A  41       6.010  -3.442  -9.080  1.00  0.00           H   new
ATOM      0  HG3 GLN A  41       6.639  -4.557  -7.883  1.00  0.00           H   new
ATOM      0 HE21 GLN A  41       7.098  -6.438  -8.926  1.00  0.00           H   new
ATOM      0 HE22 GLN A  41       5.991  -7.274 -10.020  1.00  0.00           H   new
ATOM    626  N   TYR A  42       2.381  -4.648  -4.845  1.00  0.00           N
ATOM    627  CA  TYR A  42       1.732  -4.324  -3.586  1.00  0.00           C
ATOM    628  C   TYR A  42       2.483  -5.049  -2.474  1.00  0.00           C
ATOM    629  O   TYR A  42       2.446  -6.282  -2.402  1.00  0.00           O
ATOM    630  CB  TYR A  42       0.248  -4.720  -3.644  1.00  0.00           C
ATOM    631  CG  TYR A  42      -0.415  -4.162  -4.886  1.00  0.00           C
ATOM    632  CD1 TYR A  42      -0.651  -2.779  -4.994  1.00  0.00           C
ATOM    633  CD2 TYR A  42      -0.657  -5.007  -5.984  1.00  0.00           C
ATOM    634  CE1 TYR A  42      -1.128  -2.240  -6.201  1.00  0.00           C
ATOM    635  CE2 TYR A  42      -1.112  -4.475  -7.200  1.00  0.00           C
ATOM    636  CZ  TYR A  42      -1.345  -3.090  -7.312  1.00  0.00           C
ATOM    637  OH  TYR A  42      -1.747  -2.589  -8.508  1.00  0.00           O
ATOM      0  H   TYR A  42       1.780  -5.188  -5.467  1.00  0.00           H   new
ATOM      0  HA  TYR A  42       1.762  -3.252  -3.390  1.00  0.00           H   new
ATOM      0  HB2 TYR A  42       0.157  -5.806  -3.636  1.00  0.00           H   new
ATOM      0  HB3 TYR A  42      -0.265  -4.351  -2.756  1.00  0.00           H   new
ATOM      0  HD1 TYR A  42      -0.466  -2.132  -4.149  1.00  0.00           H   new
ATOM      0  HD2 TYR A  42      -0.492  -6.070  -5.891  1.00  0.00           H   new
ATOM      0  HE1 TYR A  42      -1.328  -1.182  -6.281  1.00  0.00           H   new
ATOM      0  HE2 TYR A  42      -1.283  -5.124  -8.046  1.00  0.00           H   new
ATOM      0  HH  TYR A  42      -1.844  -3.320  -9.153  1.00  0.00           H   new
ATOM    647  N   TYR A  43       3.239  -4.307  -1.671  1.00  0.00           N
ATOM    648  CA  TYR A  43       4.033  -4.846  -0.580  1.00  0.00           C
ATOM    649  C   TYR A  43       3.094  -5.422   0.475  1.00  0.00           C
ATOM    650  O   TYR A  43       2.061  -4.822   0.788  1.00  0.00           O
ATOM    651  CB  TYR A  43       4.894  -3.740   0.032  1.00  0.00           C
ATOM    652  CG  TYR A  43       6.061  -3.304  -0.832  1.00  0.00           C
ATOM    653  CD1 TYR A  43       5.866  -2.381  -1.874  1.00  0.00           C
ATOM    654  CD2 TYR A  43       7.340  -3.849  -0.619  1.00  0.00           C
ATOM    655  CE1 TYR A  43       6.935  -2.013  -2.706  1.00  0.00           C
ATOM    656  CE2 TYR A  43       8.420  -3.472  -1.440  1.00  0.00           C
ATOM    657  CZ  TYR A  43       8.220  -2.552  -2.494  1.00  0.00           C
ATOM    658  OH  TYR A  43       9.248  -2.179  -3.306  1.00  0.00           O
ATOM      0  H   TYR A  43       3.316  -3.294  -1.765  1.00  0.00           H   new
ATOM      0  HA  TYR A  43       4.690  -5.631  -0.954  1.00  0.00           H   new
ATOM      0  HB2 TYR A  43       4.263  -2.874   0.233  1.00  0.00           H   new
ATOM      0  HB3 TYR A  43       5.278  -4.084   0.992  1.00  0.00           H   new
ATOM      0  HD1 TYR A  43       4.888  -1.952  -2.035  1.00  0.00           H   new
ATOM      0  HD2 TYR A  43       7.495  -4.561   0.179  1.00  0.00           H   new
ATOM      0  HE1 TYR A  43       6.772  -1.313  -3.513  1.00  0.00           H   new
ATOM      0  HE2 TYR A  43       9.402  -3.886  -1.264  1.00  0.00           H   new
ATOM      0  HH  TYR A  43      10.068  -2.638  -3.028  1.00  0.00           H   new
ATOM    668  N   TYR A  44       3.471  -6.556   1.058  1.00  0.00           N
ATOM    669  CA  TYR A  44       2.746  -7.179   2.145  1.00  0.00           C
ATOM    670  C   TYR A  44       3.376  -6.736   3.449  1.00  0.00           C
ATOM    671  O   TYR A  44       4.510  -7.081   3.794  1.00  0.00           O
ATOM    672  CB  TYR A  44       2.720  -8.693   2.010  1.00  0.00           C
ATOM    673  CG  TYR A  44       2.032  -9.390   3.172  1.00  0.00           C
ATOM    674  CD1 TYR A  44       0.652  -9.203   3.383  1.00  0.00           C
ATOM    675  CD2 TYR A  44       2.766 -10.209   4.051  1.00  0.00           C
ATOM    676  CE1 TYR A  44      -0.003  -9.872   4.431  1.00  0.00           C
ATOM    677  CE2 TYR A  44       2.118 -10.873   5.108  1.00  0.00           C
ATOM    678  CZ  TYR A  44       0.726 -10.718   5.294  1.00  0.00           C
ATOM    679  OH  TYR A  44       0.090 -11.344   6.323  1.00  0.00           O
ATOM      0  H   TYR A  44       4.305  -7.072   0.778  1.00  0.00           H   new
ATOM      0  HA  TYR A  44       1.703  -6.863   2.120  1.00  0.00           H   new
ATOM      0  HB2 TYR A  44       2.211  -8.959   1.083  1.00  0.00           H   new
ATOM      0  HB3 TYR A  44       3.743  -9.061   1.929  1.00  0.00           H   new
ATOM      0  HD1 TYR A  44       0.094  -8.542   2.736  1.00  0.00           H   new
ATOM      0  HD2 TYR A  44       3.831 -10.328   3.913  1.00  0.00           H   new
ATOM      0  HE1 TYR A  44      -1.065  -9.739   4.576  1.00  0.00           H   new
ATOM      0  HE2 TYR A  44       2.685 -11.502   5.778  1.00  0.00           H   new
ATOM      0  HH  TYR A  44       0.733 -11.890   6.821  1.00  0.00           H   new
ATOM    689  N   ASN A  45       2.626  -5.913   4.160  1.00  0.00           N
ATOM    690  CA  ASN A  45       2.947  -5.452   5.486  1.00  0.00           C
ATOM    691  C   ASN A  45       2.498  -6.507   6.486  1.00  0.00           C
ATOM    692  O   ASN A  45       1.447  -6.352   7.108  1.00  0.00           O
ATOM    693  CB  ASN A  45       2.255  -4.110   5.715  1.00  0.00           C
ATOM    694  CG  ASN A  45       2.525  -3.596   7.113  1.00  0.00           C
ATOM    695  OD1 ASN A  45       3.639  -3.706   7.605  1.00  0.00           O
ATOM    696  ND2 ASN A  45       1.527  -3.051   7.782  1.00  0.00           N
ATOM      0  H   ASN A  45       1.745  -5.537   3.810  1.00  0.00           H   new
ATOM      0  HA  ASN A  45       4.019  -5.303   5.611  1.00  0.00           H   new
ATOM      0  HB2 ASN A  45       2.607  -3.385   4.982  1.00  0.00           H   new
ATOM      0  HB3 ASN A  45       1.181  -4.219   5.564  1.00  0.00           H   new
ATOM      0 HD21 ASN A  45       1.676  -2.710   8.732  1.00  0.00           H   new
ATOM      0 HD22 ASN A  45       0.607  -2.971   7.349  1.00  0.00           H   new
ATOM    703  N   ALA A  46       3.304  -7.562   6.661  1.00  0.00           N
ATOM    704  CA  ALA A  46       3.061  -8.663   7.601  1.00  0.00           C
ATOM    705  C   ALA A  46       2.639  -8.161   8.984  1.00  0.00           C
ATOM    706  O   ALA A  46       1.778  -8.747   9.634  1.00  0.00           O
ATOM    707  CB  ALA A  46       4.339  -9.491   7.750  1.00  0.00           C
ATOM      0  H   ALA A  46       4.171  -7.676   6.135  1.00  0.00           H   new
ATOM      0  HA  ALA A  46       2.248  -9.265   7.196  1.00  0.00           H   new
ATOM      0  HB1 ALA A  46       4.163 -10.310   8.447  1.00  0.00           H   new
ATOM      0  HB2 ALA A  46       4.625  -9.896   6.779  1.00  0.00           H   new
ATOM      0  HB3 ALA A  46       5.141  -8.858   8.129  1.00  0.00           H   new
ATOM    713  N   GLN A  47       3.209  -7.027   9.386  1.00  0.00           N
ATOM    714  CA  GLN A  47       2.971  -6.299  10.610  1.00  0.00           C
ATOM    715  C   GLN A  47       1.479  -6.188  10.927  1.00  0.00           C
ATOM    716  O   GLN A  47       1.065  -6.541  12.035  1.00  0.00           O
ATOM    717  CB  GLN A  47       3.599  -4.922  10.399  1.00  0.00           C
ATOM    718  CG  GLN A  47       4.325  -4.396  11.620  1.00  0.00           C
ATOM    719  CD  GLN A  47       4.711  -2.937  11.380  1.00  0.00           C
ATOM    720  OE1 GLN A  47       4.377  -2.058  12.168  1.00  0.00           O
ATOM    721  NE2 GLN A  47       5.377  -2.624  10.283  1.00  0.00           N
ATOM      0  H   GLN A  47       3.908  -6.562   8.807  1.00  0.00           H   new
ATOM      0  HA  GLN A  47       3.410  -6.814  11.464  1.00  0.00           H   new
ATOM      0  HB2 GLN A  47       4.298  -4.974   9.565  1.00  0.00           H   new
ATOM      0  HB3 GLN A  47       2.819  -4.215  10.117  1.00  0.00           H   new
ATOM      0  HG2 GLN A  47       3.688  -4.477  12.501  1.00  0.00           H   new
ATOM      0  HG3 GLN A  47       5.215  -4.994  11.815  1.00  0.00           H   new
ATOM      0 HE21 GLN A  47       5.654  -3.356   9.628  1.00  0.00           H   new
ATOM      0 HE22 GLN A  47       5.614  -1.651  10.090  1.00  0.00           H   new
ATOM    730  N   SER A  48       0.679  -5.748   9.957  1.00  0.00           N
ATOM    731  CA  SER A  48      -0.757  -5.547  10.090  1.00  0.00           C
ATOM    732  C   SER A  48      -1.519  -6.298   9.002  1.00  0.00           C
ATOM    733  O   SER A  48      -2.654  -5.945   8.687  1.00  0.00           O
ATOM    734  CB  SER A  48      -1.054  -4.040  10.074  1.00  0.00           C
ATOM    735  OG  SER A  48      -0.234  -3.336  10.990  1.00  0.00           O
ATOM      0  H   SER A  48       1.028  -5.515   9.027  1.00  0.00           H   new
ATOM      0  HA  SER A  48      -1.099  -5.956  11.040  1.00  0.00           H   new
ATOM      0  HB2 SER A  48      -0.897  -3.648   9.069  1.00  0.00           H   new
ATOM      0  HB3 SER A  48      -2.102  -3.873  10.321  1.00  0.00           H   new
ATOM      0  HG  SER A  48      -0.448  -2.380  10.953  1.00  0.00           H   new
ATOM    741  N   GLN A  49      -0.863  -7.290   8.394  1.00  0.00           N
ATOM    742  CA  GLN A  49      -1.311  -8.096   7.263  1.00  0.00           C
ATOM    743  C   GLN A  49      -1.815  -7.252   6.075  1.00  0.00           C
ATOM    744  O   GLN A  49      -2.535  -7.728   5.199  1.00  0.00           O
ATOM    745  CB  GLN A  49      -2.281  -9.165   7.795  1.00  0.00           C
ATOM    746  CG  GLN A  49      -1.602 -10.004   8.906  1.00  0.00           C
ATOM    747  CD  GLN A  49      -2.104  -9.798  10.335  1.00  0.00           C
ATOM    748  OE1 GLN A  49      -2.767  -8.825  10.701  1.00  0.00           O
ATOM    749  NE2 GLN A  49      -1.747 -10.719  11.212  1.00  0.00           N
ATOM      0  H   GLN A  49       0.067  -7.569   8.707  1.00  0.00           H   new
ATOM      0  HA  GLN A  49      -0.469  -8.620   6.810  1.00  0.00           H   new
ATOM      0  HB2 GLN A  49      -3.179  -8.688   8.188  1.00  0.00           H   new
ATOM      0  HB3 GLN A  49      -2.597  -9.816   6.980  1.00  0.00           H   new
ATOM      0  HG2 GLN A  49      -1.719 -11.058   8.654  1.00  0.00           H   new
ATOM      0  HG3 GLN A  49      -0.534  -9.789   8.888  1.00  0.00           H   new
ATOM      0 HE21 GLN A  49      -1.199 -11.525  10.911  1.00  0.00           H   new
ATOM      0 HE22 GLN A  49      -2.020 -10.625  12.190  1.00  0.00           H   new
ATOM    758  N   GLN A  50      -1.436  -5.972   6.052  1.00  0.00           N
ATOM    759  CA  GLN A  50      -1.950  -4.967   5.146  1.00  0.00           C
ATOM    760  C   GLN A  50      -1.206  -4.988   3.816  1.00  0.00           C
ATOM    761  O   GLN A  50      -0.120  -5.558   3.713  1.00  0.00           O
ATOM    762  CB  GLN A  50      -1.883  -3.601   5.836  1.00  0.00           C
ATOM    763  CG  GLN A  50      -3.161  -2.778   5.633  1.00  0.00           C
ATOM    764  CD  GLN A  50      -4.437  -3.342   6.270  1.00  0.00           C
ATOM    765  OE1 GLN A  50      -5.488  -2.717   6.166  1.00  0.00           O
ATOM    766  NE2 GLN A  50      -4.421  -4.472   6.959  1.00  0.00           N
ATOM      0  H   GLN A  50      -0.734  -5.602   6.693  1.00  0.00           H   new
ATOM      0  HA  GLN A  50      -2.991  -5.183   4.907  1.00  0.00           H   new
ATOM      0  HB2 GLN A  50      -1.713  -3.744   6.903  1.00  0.00           H   new
ATOM      0  HB3 GLN A  50      -1.030  -3.043   5.449  1.00  0.00           H   new
ATOM      0  HG2 GLN A  50      -2.992  -1.778   6.032  1.00  0.00           H   new
ATOM      0  HG3 GLN A  50      -3.332  -2.669   4.562  1.00  0.00           H   new
ATOM      0 HE21 GLN A  50      -3.553  -5.000   7.052  1.00  0.00           H   new
ATOM      0 HE22 GLN A  50      -5.276  -4.815   7.397  1.00  0.00           H   new
ATOM    775  N   TYR A  51      -1.786  -4.352   2.799  1.00  0.00           N
ATOM    776  CA  TYR A  51      -1.246  -4.325   1.455  1.00  0.00           C
ATOM    777  C   TYR A  51      -0.971  -2.858   1.153  1.00  0.00           C
ATOM    778  O   TYR A  51      -1.861  -2.006   1.259  1.00  0.00           O
ATOM    779  CB  TYR A  51      -2.222  -4.927   0.438  1.00  0.00           C
ATOM    780  CG  TYR A  51      -2.250  -6.450   0.406  1.00  0.00           C
ATOM    781  CD1 TYR A  51      -2.421  -7.193   1.589  1.00  0.00           C
ATOM    782  CD2 TYR A  51      -2.064  -7.135  -0.810  1.00  0.00           C
ATOM    783  CE1 TYR A  51      -2.387  -8.593   1.584  1.00  0.00           C
ATOM    784  CE2 TYR A  51      -2.043  -8.543  -0.833  1.00  0.00           C
ATOM    785  CZ  TYR A  51      -2.182  -9.278   0.371  1.00  0.00           C
ATOM    786  OH  TYR A  51      -2.087 -10.635   0.391  1.00  0.00           O
ATOM      0  H   TYR A  51      -2.659  -3.834   2.896  1.00  0.00           H   new
ATOM      0  HA  TYR A  51      -0.341  -4.928   1.383  1.00  0.00           H   new
ATOM      0  HB2 TYR A  51      -3.226  -4.563   0.659  1.00  0.00           H   new
ATOM      0  HB3 TYR A  51      -1.962  -4.561  -0.555  1.00  0.00           H   new
ATOM      0  HD1 TYR A  51      -2.582  -6.672   2.521  1.00  0.00           H   new
ATOM      0  HD2 TYR A  51      -1.937  -6.579  -1.727  1.00  0.00           H   new
ATOM      0  HE1 TYR A  51      -2.517  -9.143   2.504  1.00  0.00           H   new
ATOM      0  HE2 TYR A  51      -1.921  -9.064  -1.771  1.00  0.00           H   new
ATOM      0  HH  TYR A  51      -1.947 -10.967  -0.521  1.00  0.00           H   new
ATOM    796  N   LEU A  52       0.280  -2.554   0.847  1.00  0.00           N
ATOM    797  CA  LEU A  52       0.802  -1.204   0.709  1.00  0.00           C
ATOM    798  C   LEU A  52       1.430  -1.075  -0.673  1.00  0.00           C
ATOM    799  O   LEU A  52       1.524  -2.052  -1.411  1.00  0.00           O
ATOM    800  CB  LEU A  52       1.852  -0.949   1.802  1.00  0.00           C
ATOM    801  CG  LEU A  52       1.399  -1.210   3.252  1.00  0.00           C
ATOM    802  CD1 LEU A  52       2.563  -0.918   4.196  1.00  0.00           C
ATOM    803  CD2 LEU A  52       0.231  -0.336   3.704  1.00  0.00           C
ATOM      0  H   LEU A  52       0.988  -3.270   0.681  1.00  0.00           H   new
ATOM      0  HA  LEU A  52       0.004  -0.469   0.819  1.00  0.00           H   new
ATOM      0  HB2 LEU A  52       2.720  -1.575   1.596  1.00  0.00           H   new
ATOM      0  HB3 LEU A  52       2.181   0.087   1.727  1.00  0.00           H   new
ATOM      0  HG  LEU A  52       1.074  -2.250   3.282  1.00  0.00           H   new
ATOM      0 HD11 LEU A  52       2.252  -1.100   5.225  1.00  0.00           H   new
ATOM      0 HD12 LEU A  52       3.403  -1.568   3.951  1.00  0.00           H   new
ATOM      0 HD13 LEU A  52       2.867   0.123   4.088  1.00  0.00           H   new
ATOM      0 HD21 LEU A  52      -0.028  -0.580   4.734  1.00  0.00           H   new
ATOM      0 HD22 LEU A  52       0.516   0.714   3.640  1.00  0.00           H   new
ATOM      0 HD23 LEU A  52      -0.630  -0.518   3.060  1.00  0.00           H   new
ATOM    815  N   TYR A  53       1.906   0.110  -1.026  1.00  0.00           N
ATOM    816  CA  TYR A  53       2.734   0.323  -2.196  1.00  0.00           C
ATOM    817  C   TYR A  53       3.893   1.231  -1.798  1.00  0.00           C
ATOM    818  O   TYR A  53       3.754   2.062  -0.893  1.00  0.00           O
ATOM    819  CB  TYR A  53       1.887   0.853  -3.362  1.00  0.00           C
ATOM    820  CG  TYR A  53       1.397   2.288  -3.263  1.00  0.00           C
ATOM    821  CD1 TYR A  53       0.384   2.668  -2.360  1.00  0.00           C
ATOM    822  CD2 TYR A  53       1.935   3.246  -4.136  1.00  0.00           C
ATOM    823  CE1 TYR A  53      -0.035   4.006  -2.282  1.00  0.00           C
ATOM    824  CE2 TYR A  53       1.496   4.575  -4.096  1.00  0.00           C
ATOM    825  CZ  TYR A  53       0.550   4.980  -3.133  1.00  0.00           C
ATOM    826  OH  TYR A  53       0.256   6.303  -3.013  1.00  0.00           O
ATOM      0  H   TYR A  53       1.723   0.962  -0.496  1.00  0.00           H   new
ATOM      0  HA  TYR A  53       3.162  -0.611  -2.560  1.00  0.00           H   new
ATOM      0  HB2 TYR A  53       2.472   0.757  -4.277  1.00  0.00           H   new
ATOM      0  HB3 TYR A  53       1.017   0.205  -3.471  1.00  0.00           H   new
ATOM      0  HD1 TYR A  53      -0.073   1.925  -1.723  1.00  0.00           H   new
ATOM      0  HD2 TYR A  53       2.695   2.955  -4.846  1.00  0.00           H   new
ATOM      0  HE1 TYR A  53      -0.800   4.293  -1.576  1.00  0.00           H   new
ATOM      0  HE2 TYR A  53       1.883   5.292  -4.805  1.00  0.00           H   new
ATOM      0  HH  TYR A  53       1.014   6.837  -3.330  1.00  0.00           H   new
ATOM    836  N   TRP A  54       5.050   1.047  -2.435  1.00  0.00           N
ATOM    837  CA  TRP A  54       6.131   2.020  -2.375  1.00  0.00           C
ATOM    838  C   TRP A  54       5.716   3.178  -3.268  1.00  0.00           C
ATOM    839  O   TRP A  54       5.246   2.955  -4.389  1.00  0.00           O
ATOM    840  CB  TRP A  54       7.452   1.414  -2.872  1.00  0.00           C
ATOM    841  CG  TRP A  54       8.571   2.400  -3.048  1.00  0.00           C
ATOM    842  CD1 TRP A  54       9.151   2.718  -4.227  1.00  0.00           C
ATOM    843  CD2 TRP A  54       9.204   3.264  -2.054  1.00  0.00           C
ATOM    844  NE1 TRP A  54      10.085   3.713  -4.024  1.00  0.00           N
ATOM    845  CE2 TRP A  54      10.152   4.103  -2.710  1.00  0.00           C
ATOM    846  CE3 TRP A  54       9.065   3.437  -0.665  1.00  0.00           C
ATOM    847  CZ2 TRP A  54      10.909   5.075  -2.036  1.00  0.00           C
ATOM    848  CZ3 TRP A  54       9.805   4.410   0.027  1.00  0.00           C
ATOM    849  CH2 TRP A  54      10.707   5.244  -0.657  1.00  0.00           C
ATOM      0  H   TRP A  54       5.259   0.225  -3.002  1.00  0.00           H   new
ATOM      0  HA  TRP A  54       6.299   2.345  -1.348  1.00  0.00           H   new
ATOM      0  HB2 TRP A  54       7.771   0.646  -2.167  1.00  0.00           H   new
ATOM      0  HB3 TRP A  54       7.271   0.917  -3.825  1.00  0.00           H   new
ATOM      0  HD1 TRP A  54       8.919   2.264  -5.179  1.00  0.00           H   new
ATOM      0  HE1 TRP A  54      10.660   4.113  -4.766  1.00  0.00           H   new
ATOM      0  HE3 TRP A  54       8.376   2.809  -0.120  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  54      11.630   5.679  -2.567  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  54       9.680   4.518   1.094  1.00  0.00           H   new
ATOM      0  HH2 TRP A  54      11.244   6.014  -0.122  1.00  0.00           H   new
ATOM    860  N   ASP A  55       5.902   4.406  -2.799  1.00  0.00           N
ATOM    861  CA  ASP A  55       5.595   5.589  -3.575  1.00  0.00           C
ATOM    862  C   ASP A  55       6.798   6.507  -3.560  1.00  0.00           C
ATOM    863  O   ASP A  55       6.982   7.298  -2.632  1.00  0.00           O
ATOM    864  CB  ASP A  55       4.330   6.291  -3.073  1.00  0.00           C
ATOM    865  CG  ASP A  55       3.803   7.276  -4.115  1.00  0.00           C
ATOM    866  OD1 ASP A  55       4.536   7.572  -5.091  1.00  0.00           O
ATOM    867  OD2 ASP A  55       2.620   7.674  -4.006  1.00  0.00           O
ATOM      0  H   ASP A  55       6.270   4.604  -1.869  1.00  0.00           H   new
ATOM      0  HA  ASP A  55       5.382   5.297  -4.603  1.00  0.00           H   new
ATOM      0  HB2 ASP A  55       3.563   5.550  -2.847  1.00  0.00           H   new
ATOM      0  HB3 ASP A  55       4.547   6.819  -2.144  1.00  0.00           H   new
ATOM    872  N   GLY A  56       7.639   6.408  -4.588  1.00  0.00           N
ATOM    873  CA  GLY A  56       8.792   7.280  -4.730  1.00  0.00           C
ATOM    874  C   GLY A  56       8.395   8.734  -4.968  1.00  0.00           C
ATOM    875  O   GLY A  56       9.202   9.629  -4.707  1.00  0.00           O
ATOM      0  H   GLY A  56       7.537   5.725  -5.338  1.00  0.00           H   new
ATOM      0  HA2 GLY A  56       9.406   7.216  -3.831  1.00  0.00           H   new
ATOM      0  HA3 GLY A  56       9.406   6.933  -5.561  1.00  0.00           H   new
ATOM    879  N   GLU A  57       7.151   9.013  -5.380  1.00  0.00           N
ATOM    880  CA  GLU A  57       6.695  10.394  -5.506  1.00  0.00           C
ATOM    881  C   GLU A  57       6.587  11.021  -4.116  1.00  0.00           C
ATOM    882  O   GLU A  57       6.846  12.212  -3.948  1.00  0.00           O
ATOM    883  CB  GLU A  57       5.351  10.489  -6.233  1.00  0.00           C
ATOM    884  CG  GLU A  57       5.338   9.778  -7.597  1.00  0.00           C
ATOM    885  CD  GLU A  57       4.532  10.554  -8.638  1.00  0.00           C
ATOM    886  OE1 GLU A  57       3.352  10.889  -8.387  1.00  0.00           O
ATOM    887  OE2 GLU A  57       5.101  10.903  -9.702  1.00  0.00           O
ATOM      0  H   GLU A  57       6.455   8.309  -5.627  1.00  0.00           H   new
ATOM      0  HA  GLU A  57       7.426  10.938  -6.104  1.00  0.00           H   new
ATOM      0  HB2 GLU A  57       4.574  10.059  -5.601  1.00  0.00           H   new
ATOM      0  HB3 GLU A  57       5.099  11.540  -6.378  1.00  0.00           H   new
ATOM      0  HG2 GLU A  57       6.361   9.652  -7.950  1.00  0.00           H   new
ATOM      0  HG3 GLU A  57       4.916   8.780  -7.482  1.00  0.00           H   new
ATOM    894  N   ARG A  58       6.289  10.205  -3.101  1.00  0.00           N
ATOM    895  CA  ARG A  58       6.180  10.620  -1.708  1.00  0.00           C
ATOM    896  C   ARG A  58       7.414  10.224  -0.890  1.00  0.00           C
ATOM    897  O   ARG A  58       7.546  10.684   0.242  1.00  0.00           O
ATOM    898  CB  ARG A  58       4.895  10.011  -1.130  1.00  0.00           C
ATOM    899  CG  ARG A  58       3.641  10.570  -1.814  1.00  0.00           C
ATOM    900  CD  ARG A  58       2.356   9.964  -1.240  1.00  0.00           C
ATOM    901  NE  ARG A  58       1.198  10.777  -1.646  1.00  0.00           N
ATOM    902  CZ  ARG A  58       0.156  11.137  -0.890  1.00  0.00           C
ATOM    903  NH1 ARG A  58       0.014  10.661   0.341  1.00  0.00           N
ATOM    904  NH2 ARG A  58      -0.730  12.000  -1.368  1.00  0.00           N
ATOM      0  H   ARG A  58       6.113   9.209  -3.234  1.00  0.00           H   new
ATOM      0  HA  ARG A  58       6.130  11.708  -1.655  1.00  0.00           H   new
ATOM      0  HB2 ARG A  58       4.921   8.928  -1.248  1.00  0.00           H   new
ATOM      0  HB3 ARG A  58       4.846  10.214  -0.060  1.00  0.00           H   new
ATOM      0  HG2 ARG A  58       3.616  11.653  -1.695  1.00  0.00           H   new
ATOM      0  HG3 ARG A  58       3.691  10.368  -2.884  1.00  0.00           H   new
ATOM      0  HD2 ARG A  58       2.236   8.940  -1.594  1.00  0.00           H   new
ATOM      0  HD3 ARG A  58       2.418   9.920  -0.153  1.00  0.00           H   new
ATOM      0  HE  ARG A  58       1.190  11.102  -2.613  1.00  0.00           H   new
ATOM      0 HH11 ARG A  58       0.704  10.013   0.720  1.00  0.00           H   new
ATOM      0 HH12 ARG A  58      -0.786  10.943   0.908  1.00  0.00           H   new
ATOM      0 HH21 ARG A  58      -0.614  12.384  -2.306  1.00  0.00           H   new
ATOM      0 HH22 ARG A  58      -1.528  12.280  -0.798  1.00  0.00           H   new
ATOM    918  N   ARG A  59       8.312   9.404  -1.451  1.00  0.00           N
ATOM    919  CA  ARG A  59       9.413   8.696  -0.788  1.00  0.00           C
ATOM    920  C   ARG A  59       8.948   8.057   0.520  1.00  0.00           C
ATOM    921  O   ARG A  59       9.540   8.306   1.571  1.00  0.00           O
ATOM    922  CB  ARG A  59      10.666   9.578  -0.630  1.00  0.00           C
ATOM    923  CG  ARG A  59      11.303   9.899  -1.989  1.00  0.00           C
ATOM    924  CD  ARG A  59      12.578  10.750  -1.856  1.00  0.00           C
ATOM    925  NE  ARG A  59      12.391  12.137  -2.324  1.00  0.00           N
ATOM    926  CZ  ARG A  59      12.424  12.530  -3.607  1.00  0.00           C
ATOM    927  NH1 ARG A  59      12.679  11.665  -4.582  1.00  0.00           N
ATOM    928  NH2 ARG A  59      12.186  13.791  -3.941  1.00  0.00           N
ATOM      0  H   ARG A  59       8.286   9.204  -2.451  1.00  0.00           H   new
ATOM      0  HA  ARG A  59       9.723   7.878  -1.439  1.00  0.00           H   new
ATOM      0  HB2 ARG A  59      10.398  10.506  -0.125  1.00  0.00           H   new
ATOM      0  HB3 ARG A  59      11.393   9.069   0.003  1.00  0.00           H   new
ATOM      0  HG2 ARG A  59      11.543   8.968  -2.503  1.00  0.00           H   new
ATOM      0  HG3 ARG A  59      10.580  10.428  -2.610  1.00  0.00           H   new
ATOM      0  HD2 ARG A  59      12.894  10.763  -0.813  1.00  0.00           H   new
ATOM      0  HD3 ARG A  59      13.382  10.284  -2.426  1.00  0.00           H   new
ATOM      0  HE  ARG A  59      12.224  12.853  -1.617  1.00  0.00           H   new
ATOM      0 HH11 ARG A  59      12.854  10.685  -4.361  1.00  0.00           H   new
ATOM      0 HH12 ARG A  59      12.700  11.981  -5.552  1.00  0.00           H   new
ATOM      0 HH21 ARG A  59      11.974  14.479  -3.218  1.00  0.00           H   new
ATOM      0 HH22 ARG A  59      12.215  14.073  -4.921  1.00  0.00           H   new
ATOM    942  N   THR A  60       7.904   7.232   0.473  1.00  0.00           N
ATOM    943  CA  THR A  60       7.373   6.516   1.631  1.00  0.00           C
ATOM    944  C   THR A  60       6.646   5.251   1.150  1.00  0.00           C
ATOM    945  O   THR A  60       6.529   5.026  -0.057  1.00  0.00           O
ATOM    946  CB  THR A  60       6.471   7.481   2.429  1.00  0.00           C
ATOM    947  OG1 THR A  60       6.170   6.974   3.714  1.00  0.00           O
ATOM    948  CG2 THR A  60       5.150   7.727   1.701  1.00  0.00           C
ATOM      0  H   THR A  60       7.393   7.039  -0.389  1.00  0.00           H   new
ATOM      0  HA  THR A  60       8.165   6.183   2.302  1.00  0.00           H   new
ATOM      0  HB  THR A  60       7.029   8.413   2.525  1.00  0.00           H   new
ATOM      0  HG1 THR A  60       6.977   6.583   4.109  1.00  0.00           H   new
ATOM      0 HG21 THR A  60       4.534   8.410   2.286  1.00  0.00           H   new
ATOM      0 HG22 THR A  60       5.350   8.165   0.723  1.00  0.00           H   new
ATOM      0 HG23 THR A  60       4.623   6.781   1.574  1.00  0.00           H   new
ATOM    956  N   TYR A  61       6.127   4.450   2.084  1.00  0.00           N
ATOM    957  CA  TYR A  61       5.207   3.355   1.796  1.00  0.00           C
ATOM    958  C   TYR A  61       3.837   3.758   2.316  1.00  0.00           C
ATOM    959  O   TYR A  61       3.723   4.199   3.462  1.00  0.00           O
ATOM    960  CB  TYR A  61       5.656   2.056   2.462  1.00  0.00           C
ATOM    961  CG  TYR A  61       6.979   1.506   1.974  1.00  0.00           C
ATOM    962  CD1 TYR A  61       8.167   1.904   2.607  1.00  0.00           C
ATOM    963  CD2 TYR A  61       7.024   0.578   0.914  1.00  0.00           C
ATOM    964  CE1 TYR A  61       9.392   1.342   2.219  1.00  0.00           C
ATOM    965  CE2 TYR A  61       8.241  -0.034   0.562  1.00  0.00           C
ATOM    966  CZ  TYR A  61       9.432   0.338   1.227  1.00  0.00           C
ATOM    967  OH  TYR A  61      10.619  -0.262   0.936  1.00  0.00           O
ATOM      0  H   TYR A  61       6.340   4.549   3.077  1.00  0.00           H   new
ATOM      0  HA  TYR A  61       5.182   3.173   0.722  1.00  0.00           H   new
ATOM      0  HB2 TYR A  61       5.724   2.222   3.537  1.00  0.00           H   new
ATOM      0  HB3 TYR A  61       4.886   1.301   2.304  1.00  0.00           H   new
ATOM      0  HD1 TYR A  61       8.138   2.644   3.393  1.00  0.00           H   new
ATOM      0  HD2 TYR A  61       6.122   0.336   0.371  1.00  0.00           H   new
ATOM      0  HE1 TYR A  61      10.308   1.679   2.681  1.00  0.00           H   new
ATOM      0  HE2 TYR A  61       8.265  -0.785  -0.213  1.00  0.00           H   new
ATOM      0  HH  TYR A  61      10.483  -0.932   0.234  1.00  0.00           H   new
ATOM    977  N   VAL A  62       2.824   3.662   1.469  1.00  0.00           N
ATOM    978  CA  VAL A  62       1.453   4.110   1.700  1.00  0.00           C
ATOM    979  C   VAL A  62       0.460   2.971   1.435  1.00  0.00           C
ATOM    980  O   VAL A  62       0.819   2.015   0.746  1.00  0.00           O
ATOM    981  CB  VAL A  62       1.186   5.417   0.912  1.00  0.00           C
ATOM    982  CG1 VAL A  62       1.381   6.630   1.829  1.00  0.00           C
ATOM    983  CG2 VAL A  62       2.138   5.635  -0.285  1.00  0.00           C
ATOM      0  H   VAL A  62       2.941   3.245   0.546  1.00  0.00           H   new
ATOM      0  HA  VAL A  62       1.304   4.367   2.749  1.00  0.00           H   new
ATOM      0  HB  VAL A  62       0.165   5.318   0.542  1.00  0.00           H   new
ATOM      0 HG11 VAL A  62       1.191   7.545   1.267  1.00  0.00           H   new
ATOM      0 HG12 VAL A  62       0.687   6.568   2.667  1.00  0.00           H   new
ATOM      0 HG13 VAL A  62       2.404   6.641   2.206  1.00  0.00           H   new
ATOM      0 HG21 VAL A  62       1.886   6.571  -0.784  1.00  0.00           H   new
ATOM      0 HG22 VAL A  62       3.167   5.680   0.072  1.00  0.00           H   new
ATOM      0 HG23 VAL A  62       2.033   4.809  -0.988  1.00  0.00           H   new
ATOM    993  N   PRO A  63      -0.765   3.015   1.987  1.00  0.00           N
ATOM    994  CA  PRO A  63      -1.739   1.949   1.810  1.00  0.00           C
ATOM    995  C   PRO A  63      -2.292   1.973   0.386  1.00  0.00           C
ATOM    996  O   PRO A  63      -2.589   3.041  -0.153  1.00  0.00           O
ATOM    997  CB  PRO A  63      -2.799   2.181   2.889  1.00  0.00           C
ATOM    998  CG  PRO A  63      -2.756   3.694   3.110  1.00  0.00           C
ATOM    999  CD  PRO A  63      -1.291   4.050   2.865  1.00  0.00           C
ATOM      0  HA  PRO A  63      -1.313   0.953   1.927  1.00  0.00           H   new
ATOM      0  HB2 PRO A  63      -3.785   1.851   2.561  1.00  0.00           H   new
ATOM      0  HB3 PRO A  63      -2.568   1.635   3.803  1.00  0.00           H   new
ATOM      0  HG2 PRO A  63      -3.417   4.219   2.421  1.00  0.00           H   new
ATOM      0  HG3 PRO A  63      -3.070   3.961   4.119  1.00  0.00           H   new
ATOM      0  HD2 PRO A  63      -1.201   5.034   2.405  1.00  0.00           H   new
ATOM      0  HD3 PRO A  63      -0.736   4.084   3.803  1.00  0.00           H   new
ATOM   1007  N   ALA A  64      -2.420   0.792  -0.226  1.00  0.00           N
ATOM   1008  CA  ALA A  64      -2.869   0.644  -1.610  1.00  0.00           C
ATOM   1009  C   ALA A  64      -4.330   0.182  -1.693  1.00  0.00           C
ATOM   1010  O   ALA A  64      -4.779  -0.321  -2.724  1.00  0.00           O
ATOM   1011  CB  ALA A  64      -1.921  -0.304  -2.350  1.00  0.00           C
ATOM      0  H   ALA A  64      -2.212  -0.096   0.231  1.00  0.00           H   new
ATOM      0  HA  ALA A  64      -2.838   1.619  -2.097  1.00  0.00           H   new
ATOM      0  HB1 ALA A  64      -2.252  -0.417  -3.382  1.00  0.00           H   new
ATOM      0  HB2 ALA A  64      -0.911   0.107  -2.336  1.00  0.00           H   new
ATOM      0  HB3 ALA A  64      -1.924  -1.277  -1.859  1.00  0.00           H   new