USER  MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=16
USER  MOD reduce.3.24.130724 removed 393 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  42 SER OG  :   rot -137:sc=    1.32
USER  MOD Set 1.2: A  44 HIS     :     no HE2:sc=    1.49  K(o=2.8,f=-4.9!)
USER  MOD Single : A  12 TYR OH  :   rot   71:sc=    1.05
USER  MOD Single : A  15 THR OG1 :   rot   36:sc=   0.578
USER  MOD Single : A  18 LYS NZ  :NH3+   -154:sc=   -1.17   (180deg=-2.31!)
USER  MOD Single : A  20 LYS NZ  :NH3+   -173:sc=       0   (180deg=-0.0396)
USER  MOD Single : A  23 GLN     :FLIP  amide:sc=  -0.057  F(o=-0.75,f=-0.057)
USER  MOD Single : A  24 THR OG1 :   rot  161:sc=   0.635
USER  MOD Single : A  26 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  28 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  29 GLN     :      amide:sc=   -1.61! K(o=-1.6!,f=-3.1)
USER  MOD Single : A  34 HIS     :     no HD1:sc=       0  X(o=0,f=0)
USER  MOD Single : A  36 LYS NZ  :NH3+   -170:sc= -0.0253   (180deg=-0.167)
USER  MOD Single : A  39 SER OG  :   rot  -90:sc= -0.0944
USER  MOD Single : A  46 THR OG1 :   rot  180:sc=   0.305
USER  MOD Single : A  48 GLN     :      amide:sc=    0.42  X(o=0.42,f=-0.076)
USER  MOD Single : A  51 MET CE  :methyl -160:sc=  -0.153   (180deg=-0.621)
USER  MOD Single : A  54 LYS NZ  :NH3+   -146:sc=    1.17   (180deg=1)
USER  MOD Single : A  55 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  57 TYR OH  :   rot  180:sc=       0
USER  MOD -----------------------------------------------------------------
ATOM    157  N   GLU A  10     -10.146  -9.240   0.049  1.00 30.11           N
ATOM    158  CA  GLU A  10      -9.840  -8.099   0.924  1.00 64.42           C
ATOM    159  C   GLU A  10      -8.502  -7.438   0.547  1.00  1.33           C
ATOM    160  O   GLU A  10      -7.693  -8.017  -0.181  1.00 74.20           O
ATOM    161  CB  GLU A  10      -9.781  -8.563   2.386  1.00 31.51           C
ATOM    162  CG  GLU A  10     -10.978  -9.399   2.832  1.00 11.14           C
ATOM    163  CD  GLU A  10     -12.304  -8.665   2.698  1.00 21.20           C
ATOM    164  OE1 GLU A  10     -12.563  -7.743   3.499  1.00 14.31           O
ATOM    165  OE2 GLU A  10     -13.101  -9.023   1.809  1.00 54.03           O
ATOM      0  HA  GLU A  10     -10.634  -7.363   0.797  1.00 64.42           H   new
ATOM      0  HB2 GLU A  10      -8.872  -9.146   2.533  1.00 31.51           H   new
ATOM      0  HB3 GLU A  10      -9.706  -7.687   3.030  1.00 31.51           H   new
ATOM      0  HG2 GLU A  10     -11.015 -10.314   2.240  1.00 11.14           H   new
ATOM      0  HG3 GLU A  10     -10.838  -9.697   3.871  1.00 11.14           H   new
ATOM    172  N   ALA A  11      -8.282  -6.223   1.055  1.00 25.32           N
ATOM    173  CA  ALA A  11      -7.023  -5.496   0.839  1.00  5.43           C
ATOM    174  C   ALA A  11      -6.461  -4.931   2.154  1.00 52.14           C
ATOM    175  O   ALA A  11      -7.198  -4.719   3.121  1.00 52.25           O
ATOM    176  CB  ALA A  11      -7.233  -4.371  -0.165  1.00 12.00           C
ATOM      0  H   ALA A  11      -8.962  -5.717   1.622  1.00 25.32           H   new
ATOM      0  HA  ALA A  11      -6.295  -6.204   0.442  1.00  5.43           H   new
ATOM      0  HB1 ALA A  11      -6.294  -3.839  -0.317  1.00 12.00           H   new
ATOM      0  HB2 ALA A  11      -7.572  -4.788  -1.113  1.00 12.00           H   new
ATOM      0  HB3 ALA A  11      -7.984  -3.679   0.216  1.00 12.00           H   new
ATOM    182  N   TYR A  12      -5.152  -4.685   2.185  1.00 73.10           N
ATOM    183  CA  TYR A  12      -4.494  -4.118   3.371  1.00 55.11           C
ATOM    184  C   TYR A  12      -3.280  -3.252   2.987  1.00 14.42           C
ATOM    185  O   TYR A  12      -2.837  -3.253   1.837  1.00 42.54           O
ATOM    186  CB  TYR A  12      -4.075  -5.236   4.340  1.00 10.54           C
ATOM    187  CG  TYR A  12      -3.066  -6.223   3.775  1.00 74.14           C
ATOM    188  CD1 TYR A  12      -3.481  -7.355   3.078  1.00 43.41           C
ATOM    189  CD2 TYR A  12      -1.703  -6.029   3.952  1.00 33.04           C
ATOM    190  CE1 TYR A  12      -2.565  -8.261   2.579  1.00  5.10           C
ATOM    191  CE2 TYR A  12      -0.782  -6.928   3.453  1.00 44.22           C
ATOM    192  CZ  TYR A  12      -1.216  -8.042   2.770  1.00 54.20           C
ATOM    193  OH  TYR A  12      -0.294  -8.942   2.284  1.00 52.11           O
ATOM      0  H   TYR A  12      -4.522  -4.868   1.404  1.00 73.10           H   new
ATOM      0  HA  TYR A  12      -5.215  -3.471   3.872  1.00 55.11           H   new
ATOM      0  HB2 TYR A  12      -3.655  -4.782   5.237  1.00 10.54           H   new
ATOM      0  HB3 TYR A  12      -4.966  -5.784   4.647  1.00 10.54           H   new
ATOM      0  HD1 TYR A  12      -4.536  -7.527   2.925  1.00 43.41           H   new
ATOM      0  HD2 TYR A  12      -1.357  -5.159   4.490  1.00 33.04           H   new
ATOM      0  HE1 TYR A  12      -2.903  -9.135   2.043  1.00  5.10           H   new
ATOM      0  HE2 TYR A  12       0.275  -6.758   3.598  1.00 44.22           H   new
ATOM      0  HH  TYR A  12      -0.268  -8.887   1.306  1.00 52.11           H   new
ATOM    203  N   ILE A  13      -2.738  -2.516   3.961  1.00 72.32           N
ATOM    204  CA  ILE A  13      -1.645  -1.566   3.712  1.00  4.02           C
ATOM    205  C   ILE A  13      -0.330  -2.002   4.383  1.00 40.12           C
ATOM    206  O   ILE A  13      -0.300  -2.318   5.576  1.00 72.13           O
ATOM    207  CB  ILE A  13      -2.025  -0.154   4.223  1.00 33.01           C
ATOM    208  CG1 ILE A  13      -3.332   0.319   3.559  1.00 70.25           C
ATOM    209  CG2 ILE A  13      -0.893   0.840   3.960  1.00 10.30           C
ATOM    210  CD1 ILE A  13      -3.846   1.640   4.087  1.00  3.04           C
ATOM      0  H   ILE A  13      -3.039  -2.559   4.935  1.00 72.32           H   new
ATOM      0  HA  ILE A  13      -1.489  -1.545   2.633  1.00  4.02           H   new
ATOM      0  HB  ILE A  13      -2.183  -0.206   5.300  1.00 33.01           H   new
ATOM      0 HG12 ILE A  13      -3.171   0.407   2.485  1.00 70.25           H   new
ATOM      0 HG13 ILE A  13      -4.098  -0.442   3.705  1.00 70.25           H   new
ATOM      0 HG21 ILE A  13      -1.181   1.825   4.327  1.00 10.30           H   new
ATOM      0 HG22 ILE A  13       0.008   0.510   4.476  1.00 10.30           H   new
ATOM      0 HG23 ILE A  13      -0.698   0.894   2.889  1.00 10.30           H   new
ATOM      0 HD11 ILE A  13      -4.768   1.904   3.570  1.00  3.04           H   new
ATOM      0 HD12 ILE A  13      -4.041   1.553   5.156  1.00  3.04           H   new
ATOM      0 HD13 ILE A  13      -3.099   2.415   3.916  1.00  3.04           H   new
ATOM    222  N   VAL A  14       0.756  -2.006   3.611  1.00 21.33           N
ATOM    223  CA  VAL A  14       2.093  -2.345   4.128  1.00 11.40           C
ATOM    224  C   VAL A  14       3.012  -1.112   4.136  1.00 75.42           C
ATOM    225  O   VAL A  14       3.208  -0.469   3.108  1.00 55.22           O
ATOM    226  CB  VAL A  14       2.753  -3.461   3.278  1.00 42.33           C
ATOM    227  CG1 VAL A  14       4.139  -3.819   3.816  1.00 43.22           C
ATOM    228  CG2 VAL A  14       1.857  -4.694   3.220  1.00  0.01           C
ATOM      0  H   VAL A  14       0.741  -1.777   2.617  1.00 21.33           H   new
ATOM      0  HA  VAL A  14       1.961  -2.702   5.150  1.00 11.40           H   new
ATOM      0  HB  VAL A  14       2.879  -3.081   2.264  1.00 42.33           H   new
ATOM      0 HG11 VAL A  14       4.577  -4.604   3.200  1.00 43.22           H   new
ATOM      0 HG12 VAL A  14       4.779  -2.937   3.789  1.00 43.22           H   new
ATOM      0 HG13 VAL A  14       4.051  -4.171   4.844  1.00 43.22           H   new
ATOM      0 HG21 VAL A  14       2.338  -5.465   2.619  1.00  0.01           H   new
ATOM      0 HG22 VAL A  14       1.691  -5.071   4.229  1.00  0.01           H   new
ATOM      0 HG23 VAL A  14       0.900  -4.428   2.770  1.00  0.01           H   new
ATOM    238  N   THR A  15       3.579  -0.783   5.292  1.00 72.04           N
ATOM    239  CA  THR A  15       4.457   0.392   5.410  1.00 12.21           C
ATOM    240  C   THR A  15       5.926   0.041   5.139  1.00 52.41           C
ATOM    241  O   THR A  15       6.554  -0.684   5.912  1.00 12.13           O
ATOM    242  CB  THR A  15       4.360   1.035   6.815  1.00 32.14           C
ATOM    243  OG1 THR A  15       4.690   0.068   7.827  1.00 12.42           O
ATOM    244  CG2 THR A  15       2.959   1.585   7.065  1.00 45.32           C
ATOM      0  H   THR A  15       3.452  -1.305   6.159  1.00 72.04           H   new
ATOM      0  HA  THR A  15       4.112   1.100   4.657  1.00 12.21           H   new
ATOM      0  HB  THR A  15       5.071   1.860   6.860  1.00 32.14           H   new
ATOM      0  HG1 THR A  15       5.401  -0.520   7.498  1.00 12.42           H   new
ATOM      0 HG21 THR A  15       2.915   2.032   8.058  1.00 45.32           H   new
ATOM      0 HG22 THR A  15       2.726   2.342   6.316  1.00 45.32           H   new
ATOM      0 HG23 THR A  15       2.233   0.775   6.999  1.00 45.32           H   new
ATOM    252  N   ILE A  16       6.477   0.561   4.043  1.00 41.53           N
ATOM    253  CA  ILE A  16       7.895   0.358   3.711  1.00 43.22           C
ATOM    254  C   ILE A  16       8.663   1.689   3.727  1.00 14.23           C
ATOM    255  O   ILE A  16       8.064   2.760   3.632  1.00 64.14           O
ATOM    256  CB  ILE A  16       8.075  -0.312   2.323  1.00 72.32           C
ATOM    257  CG1 ILE A  16       7.625   0.634   1.195  1.00 75.53           C
ATOM    258  CG2 ILE A  16       7.303  -1.630   2.262  1.00 53.24           C
ATOM    259  CD1 ILE A  16       7.879   0.091  -0.196  1.00 25.11           C
ATOM      0  H   ILE A  16       5.966   1.128   3.366  1.00 41.53           H   new
ATOM      0  HA  ILE A  16       8.299  -0.306   4.475  1.00 43.22           H   new
ATOM      0  HB  ILE A  16       9.134  -0.526   2.182  1.00 72.32           H   new
ATOM      0 HG12 ILE A  16       6.560   0.837   1.307  1.00 75.53           H   new
ATOM      0 HG13 ILE A  16       8.144   1.586   1.304  1.00 75.53           H   new
ATOM      0 HG21 ILE A  16       7.440  -2.087   1.282  1.00 53.24           H   new
ATOM      0 HG22 ILE A  16       7.675  -2.306   3.032  1.00 53.24           H   new
ATOM      0 HG23 ILE A  16       6.243  -1.439   2.428  1.00 53.24           H   new
ATOM      0 HD11 ILE A  16       7.536   0.813  -0.937  1.00 25.11           H   new
ATOM      0 HD12 ILE A  16       8.946  -0.085  -0.328  1.00 25.11           H   new
ATOM      0 HD13 ILE A  16       7.338  -0.846  -0.325  1.00 25.11           H   new
ATOM    271  N   GLU A  17       9.988   1.626   3.851  1.00 51.22           N
ATOM    272  CA  GLU A  17      10.817   2.839   3.843  1.00 54.42           C
ATOM    273  C   GLU A  17      11.899   2.766   2.759  1.00 33.13           C
ATOM    274  O   GLU A  17      12.732   1.857   2.750  1.00 15.20           O
ATOM    275  CB  GLU A  17      11.462   3.070   5.217  1.00 63.50           C
ATOM    276  CG  GLU A  17      10.454   3.332   6.332  1.00 14.51           C
ATOM    277  CD  GLU A  17      11.110   3.780   7.626  1.00 40.15           C
ATOM    278  OE1 GLU A  17      11.485   2.915   8.448  1.00 75.50           O
ATOM    279  OE2 GLU A  17      11.259   5.003   7.830  1.00 14.25           O
ATOM      0  H   GLU A  17      10.511   0.757   3.958  1.00 51.22           H   new
ATOM      0  HA  GLU A  17      10.163   3.681   3.618  1.00 54.42           H   new
ATOM      0  HB2 GLU A  17      12.061   2.198   5.479  1.00 63.50           H   new
ATOM      0  HB3 GLU A  17      12.145   3.917   5.150  1.00 63.50           H   new
ATOM      0  HG2 GLU A  17       9.748   4.095   6.005  1.00 14.51           H   new
ATOM      0  HG3 GLU A  17       9.879   2.424   6.517  1.00 14.51           H   new
ATOM    286  N   LYS A  18      11.880   3.736   1.850  1.00 24.04           N
ATOM    287  CA  LYS A  18      12.827   3.773   0.729  1.00 55.52           C
ATOM    288  C   LYS A  18      13.702   5.035   0.799  1.00  4.21           C
ATOM    289  O   LYS A  18      13.498   5.892   1.659  1.00  0.00           O
ATOM    290  CB  LYS A  18      12.050   3.737  -0.598  1.00 21.14           C
ATOM    291  CG  LYS A  18      11.027   2.600  -0.678  1.00 21.44           C
ATOM    292  CD  LYS A  18      10.191   2.647  -1.962  1.00 54.30           C
ATOM    293  CE  LYS A  18      10.893   1.997  -3.154  1.00 31.34           C
ATOM    294  NZ  LYS A  18      12.181   2.661  -3.502  1.00 11.31           N
ATOM      0  H   LYS A  18      11.218   4.512   1.864  1.00 24.04           H   new
ATOM      0  HA  LYS A  18      13.481   2.903   0.789  1.00 55.52           H   new
ATOM      0  HB2 LYS A  18      11.535   4.688  -0.734  1.00 21.14           H   new
ATOM      0  HB3 LYS A  18      12.757   3.637  -1.421  1.00 21.14           H   new
ATOM      0  HG2 LYS A  18      11.547   1.644  -0.623  1.00 21.44           H   new
ATOM      0  HG3 LYS A  18      10.363   2.652   0.185  1.00 21.44           H   new
ATOM      0  HD2 LYS A  18       9.240   2.144  -1.789  1.00 54.30           H   new
ATOM      0  HD3 LYS A  18       9.963   3.685  -2.203  1.00 54.30           H   new
ATOM      0  HE2 LYS A  18      11.080   0.947  -2.930  1.00 31.34           H   new
ATOM      0  HE3 LYS A  18      10.230   2.025  -4.019  1.00 31.34           H   new
ATOM      0  HZ1 LYS A  18      12.390   2.507  -4.509  1.00 11.31           H   new
ATOM      0  HZ2 LYS A  18      12.107   3.681  -3.316  1.00 11.31           H   new
ATOM      0  HZ3 LYS A  18      12.946   2.258  -2.924  1.00 11.31           H   new
ATOM    308  N   GLY A  19      14.671   5.150  -0.102  1.00 62.43           N
ATOM    309  CA  GLY A  19      15.517   6.338  -0.134  1.00 12.44           C
ATOM    310  C   GLY A  19      16.877   6.138   0.528  1.00 24.41           C
ATOM    311  O   GLY A  19      17.528   5.110   0.337  1.00 53.15           O
ATOM      0  H   GLY A  19      14.889   4.448  -0.809  1.00 62.43           H   new
ATOM      0  HA2 GLY A  19      15.668   6.638  -1.171  1.00 12.44           H   new
ATOM      0  HA3 GLY A  19      14.997   7.157   0.363  1.00 12.44           H   new
ATOM    315  N   LYS A  20      17.304   7.127   1.313  1.00 34.22           N
ATOM    316  CA  LYS A  20      18.636   7.124   1.934  1.00 65.22           C
ATOM    317  C   LYS A  20      18.584   6.587   3.379  1.00 13.14           C
ATOM    318  O   LYS A  20      17.532   6.609   4.020  1.00 63.15           O
ATOM    319  CB  LYS A  20      19.227   8.554   1.926  1.00 44.11           C
ATOM    320  CG  LYS A  20      19.465   9.144   0.529  1.00  3.01           C
ATOM    321  CD  LYS A  20      18.158   9.443  -0.209  1.00 24.54           C
ATOM    322  CE  LYS A  20      18.402   9.992  -1.610  1.00 34.42           C
ATOM    323  NZ  LYS A  20      19.068  11.319  -1.588  1.00 24.31           N
ATOM      0  H   LYS A  20      16.744   7.949   1.538  1.00 34.22           H   new
ATOM      0  HA  LYS A  20      19.276   6.462   1.351  1.00 65.22           H   new
ATOM      0  HB2 LYS A  20      18.554   9.213   2.474  1.00 44.11           H   new
ATOM      0  HB3 LYS A  20      20.173   8.544   2.467  1.00 44.11           H   new
ATOM      0  HG2 LYS A  20      20.046  10.062   0.619  1.00  3.01           H   new
ATOM      0  HG3 LYS A  20      20.060   8.447  -0.060  1.00  3.01           H   new
ATOM      0  HD2 LYS A  20      17.564   8.532  -0.276  1.00 24.54           H   new
ATOM      0  HD3 LYS A  20      17.575  10.163   0.365  1.00 24.54           H   new
ATOM      0  HE2 LYS A  20      19.017   9.289  -2.171  1.00 34.42           H   new
ATOM      0  HE3 LYS A  20      17.451  10.074  -2.136  1.00 34.42           H   new
ATOM      0  HZ1 LYS A  20      19.106  11.704  -2.553  1.00 24.31           H   new
ATOM      0  HZ2 LYS A  20      18.531  11.967  -0.977  1.00 24.31           H   new
ATOM      0  HZ3 LYS A  20      20.035  11.216  -1.218  1.00 24.31           H   new
ATOM    337  N   PRO A  21      19.718   6.071   3.905  1.00 25.24           N
ATOM    338  CA  PRO A  21      19.816   5.629   5.311  1.00 12.22           C
ATOM    339  C   PRO A  21      19.451   6.747   6.305  1.00 13.24           C
ATOM    340  O   PRO A  21      20.051   7.827   6.288  1.00 42.02           O
ATOM    341  CB  PRO A  21      21.292   5.232   5.461  1.00 30.33           C
ATOM    342  CG  PRO A  21      21.738   4.911   4.075  1.00 52.10           C
ATOM    343  CD  PRO A  21      20.982   5.851   3.173  1.00 15.23           C
ATOM      0  HA  PRO A  21      19.121   4.819   5.532  1.00 12.22           H   new
ATOM      0  HB2 PRO A  21      21.880   6.045   5.888  1.00 30.33           H   new
ATOM      0  HB3 PRO A  21      21.406   4.374   6.123  1.00 30.33           H   new
ATOM      0  HG2 PRO A  21      22.814   5.048   3.969  1.00 52.10           H   new
ATOM      0  HG3 PRO A  21      21.523   3.872   3.826  1.00 52.10           H   new
ATOM      0  HD2 PRO A  21      21.525   6.783   3.016  1.00 15.23           H   new
ATOM      0  HD3 PRO A  21      20.808   5.414   2.190  1.00 15.23           H   new
ATOM    351  N   GLY A  22      18.469   6.488   7.166  1.00 30.11           N
ATOM    352  CA  GLY A  22      17.992   7.514   8.090  1.00 74.13           C
ATOM    353  C   GLY A  22      17.023   8.490   7.429  1.00  3.43           C
ATOM    354  O   GLY A  22      15.866   8.606   7.837  1.00 24.22           O
ATOM      0  H   GLY A  22      17.994   5.589   7.243  1.00 30.11           H   new
ATOM      0  HA2 GLY A  22      17.500   7.036   8.937  1.00 74.13           H   new
ATOM      0  HA3 GLY A  22      18.844   8.066   8.487  1.00 74.13           H   new
ATOM    358  N   GLN A  23      17.495   9.194   6.400  1.00 64.42           N
ATOM    359  CA  GLN A  23      16.641  10.115   5.638  1.00 61.34           C
ATOM    360  C   GLN A  23      15.786   9.344   4.621  1.00 41.20           C
ATOM    361  O   GLN A  23      16.044   9.365   3.412  1.00 43.14           O
ATOM    362  CB  GLN A  23      17.493  11.182   4.931  1.00 62.10           C
ATOM    363  CG  GLN A  23      18.353  12.012   5.880  1.00 15.11           C
ATOM    364  CD  GLN A  23      17.543  12.769   6.923  1.00 41.12           C
ATOM    365  OE1 GLN A  23      16.345  13.193   6.570  1.00  2.35           O   flip
ATOM    366  NE2 GLN A  23      18.000  12.988   8.040  1.00 21.13           N   flip
ATOM      0  H   GLN A  23      18.460   9.147   6.073  1.00 64.42           H   new
ATOM      0  HA  GLN A  23      15.971  10.618   6.336  1.00 61.34           H   new
ATOM      0  HB2 GLN A  23      18.140  10.693   4.203  1.00 62.10           H   new
ATOM      0  HB3 GLN A  23      16.835  11.849   4.375  1.00 62.10           H   new
ATOM      0  HG2 GLN A  23      19.060  11.355   6.386  1.00 15.11           H   new
ATOM      0  HG3 GLN A  23      18.939  12.724   5.299  1.00 15.11           H   new
ATOM      0 HE21 GLN A  23      18.930  12.648   8.286  1.00 21.13           H   new
ATOM      0 HE22 GLN A  23      17.450  13.510   8.723  1.00 21.13           H   new
ATOM    375  N   THR A  24      14.778   8.646   5.132  1.00 52.00           N
ATOM    376  CA  THR A  24      13.932   7.775   4.308  1.00  5.13           C
ATOM    377  C   THR A  24      12.603   8.429   3.934  1.00 75.42           C
ATOM    378  O   THR A  24      12.223   9.474   4.469  1.00 72.43           O
ATOM    379  CB  THR A  24      13.605   6.453   5.039  1.00 45.11           C
ATOM    380  OG1 THR A  24      12.876   6.730   6.244  1.00 62.13           O
ATOM    381  CG2 THR A  24      14.873   5.682   5.372  1.00 63.53           C
ATOM      0  H   THR A  24      14.522   8.664   6.119  1.00 52.00           H   new
ATOM      0  HA  THR A  24      14.510   7.585   3.404  1.00  5.13           H   new
ATOM      0  HB  THR A  24      12.996   5.839   4.375  1.00 45.11           H   new
ATOM      0  HG1 THR A  24      12.416   5.918   6.542  1.00 62.13           H   new
ATOM      0 HG21 THR A  24      14.612   4.757   5.886  1.00 63.53           H   new
ATOM      0 HG22 THR A  24      15.409   5.448   4.452  1.00 63.53           H   new
ATOM      0 HG23 THR A  24      15.509   6.288   6.017  1.00 63.53           H   new
ATOM    389  N   VAL A  25      11.908   7.801   2.994  1.00 55.11           N
ATOM    390  CA  VAL A  25      10.536   8.167   2.645  1.00 62.04           C
ATOM    391  C   VAL A  25       9.604   6.979   2.921  1.00 60.15           C
ATOM    392  O   VAL A  25       9.849   5.866   2.445  1.00 35.31           O
ATOM    393  CB  VAL A  25      10.415   8.573   1.154  1.00 52.43           C
ATOM    394  CG1 VAL A  25       8.984   8.993   0.817  1.00 42.41           C
ATOM    395  CG2 VAL A  25      11.403   9.687   0.810  1.00 23.54           C
ATOM      0  H   VAL A  25      12.278   7.022   2.450  1.00 55.11           H   new
ATOM      0  HA  VAL A  25      10.252   9.024   3.256  1.00 62.04           H   new
ATOM      0  HB  VAL A  25      10.663   7.702   0.548  1.00 52.43           H   new
ATOM      0 HG11 VAL A  25       8.925   9.273  -0.235  1.00 42.41           H   new
ATOM      0 HG12 VAL A  25       8.306   8.162   1.010  1.00 42.41           H   new
ATOM      0 HG13 VAL A  25       8.699   9.844   1.436  1.00 42.41           H   new
ATOM      0 HG21 VAL A  25      11.299   9.954  -0.242  1.00 23.54           H   new
ATOM      0 HG22 VAL A  25      11.196  10.560   1.428  1.00 23.54           H   new
ATOM      0 HG23 VAL A  25      12.420   9.342   0.997  1.00 23.54           H   new
ATOM    405  N   THR A  26       8.554   7.210   3.700  1.00 23.14           N
ATOM    406  CA  THR A  26       7.605   6.148   4.047  1.00 35.32           C
ATOM    407  C   THR A  26       6.594   5.929   2.917  1.00 63.31           C
ATOM    408  O   THR A  26       5.795   6.813   2.602  1.00 52.32           O
ATOM    409  CB  THR A  26       6.844   6.464   5.361  1.00 50.40           C
ATOM    410  OG1 THR A  26       7.777   6.746   6.418  1.00 70.44           O
ATOM    411  CG2 THR A  26       5.947   5.299   5.777  1.00 62.52           C
ATOM      0  H   THR A  26       8.335   8.120   4.105  1.00 23.14           H   new
ATOM      0  HA  THR A  26       8.188   5.239   4.194  1.00 35.32           H   new
ATOM      0  HB  THR A  26       6.217   7.337   5.179  1.00 50.40           H   new
ATOM      0  HG1 THR A  26       7.287   6.946   7.243  1.00 70.44           H   new
ATOM      0 HG21 THR A  26       5.428   5.552   6.701  1.00 62.52           H   new
ATOM      0 HG22 THR A  26       5.216   5.104   4.992  1.00 62.52           H   new
ATOM      0 HG23 THR A  26       6.556   4.409   5.935  1.00 62.52           H   new
ATOM    419  N   TRP A  27       6.646   4.753   2.304  1.00 33.40           N
ATOM    420  CA  TRP A  27       5.737   4.402   1.212  1.00 14.13           C
ATOM    421  C   TRP A  27       4.720   3.350   1.666  1.00 74.21           C
ATOM    422  O   TRP A  27       5.080   2.330   2.257  1.00 53.33           O
ATOM    423  CB  TRP A  27       6.538   3.885   0.009  1.00 71.41           C
ATOM    424  CG  TRP A  27       7.373   4.942  -0.647  1.00 50.32           C
ATOM    425  CD1 TRP A  27       8.662   5.276  -0.351  1.00  2.24           C
ATOM    426  CD2 TRP A  27       6.966   5.816  -1.706  1.00 62.45           C
ATOM    427  NE1 TRP A  27       9.086   6.292  -1.171  1.00 11.43           N
ATOM    428  CE2 TRP A  27       8.064   6.642  -2.009  1.00 71.24           C
ATOM    429  CE3 TRP A  27       5.783   5.974  -2.435  1.00 71.35           C
ATOM    430  CZ2 TRP A  27       8.011   7.618  -3.001  1.00 30.10           C
ATOM    431  CZ3 TRP A  27       5.732   6.940  -3.422  1.00 75.45           C
ATOM    432  CH2 TRP A  27       6.841   7.750  -3.697  1.00 42.54           C
ATOM      0  H   TRP A  27       7.312   4.019   2.545  1.00 33.40           H   new
ATOM      0  HA  TRP A  27       5.190   5.297   0.916  1.00 14.13           H   new
ATOM      0  HB2 TRP A  27       7.186   3.071   0.335  1.00 71.41           H   new
ATOM      0  HB3 TRP A  27       5.849   3.469  -0.726  1.00 71.41           H   new
ATOM      0  HD1 TRP A  27       9.262   4.809   0.417  1.00  2.24           H   new
ATOM      0  HE1 TRP A  27      10.013   6.717  -1.157  1.00 11.43           H   new
ATOM      0  HE3 TRP A  27       4.924   5.352  -2.230  1.00 71.35           H   new
ATOM      0  HZ2 TRP A  27       8.863   8.248  -3.213  1.00 30.10           H   new
ATOM      0  HZ3 TRP A  27       4.823   7.072  -3.990  1.00 75.45           H   new
ATOM      0  HH2 TRP A  27       6.771   8.495  -4.476  1.00 42.54           H   new
ATOM    443  N   TYR A  28       3.450   3.601   1.387  1.00 55.42           N
ATOM    444  CA  TYR A  28       2.376   2.683   1.763  1.00 61.24           C
ATOM    445  C   TYR A  28       1.976   1.788   0.576  1.00 10.21           C
ATOM    446  O   TYR A  28       1.456   2.270  -0.434  1.00 74.21           O
ATOM    447  CB  TYR A  28       1.160   3.480   2.254  1.00 33.22           C
ATOM    448  CG  TYR A  28       1.449   4.394   3.435  1.00 43.34           C
ATOM    449  CD1 TYR A  28       2.095   5.615   3.254  1.00 13.33           C
ATOM    450  CD2 TYR A  28       1.079   4.037   4.729  1.00  2.24           C
ATOM    451  CE1 TYR A  28       2.359   6.449   4.323  1.00 23.12           C
ATOM    452  CE2 TYR A  28       1.340   4.869   5.801  1.00 11.22           C
ATOM    453  CZ  TYR A  28       1.980   6.073   5.594  1.00 52.23           C
ATOM    454  OH  TYR A  28       2.239   6.905   6.659  1.00 24.24           O
ATOM      0  H   TYR A  28       3.132   4.438   0.898  1.00 55.42           H   new
ATOM      0  HA  TYR A  28       2.736   2.041   2.567  1.00 61.24           H   new
ATOM      0  HB2 TYR A  28       0.776   4.081   1.429  1.00 33.22           H   new
ATOM      0  HB3 TYR A  28       0.371   2.782   2.534  1.00 33.22           H   new
ATOM      0  HD1 TYR A  28       2.395   5.915   2.261  1.00 13.33           H   new
ATOM      0  HD2 TYR A  28       0.580   3.094   4.898  1.00  2.24           H   new
ATOM      0  HE1 TYR A  28       2.860   7.392   4.164  1.00 23.12           H   new
ATOM      0  HE2 TYR A  28       1.044   4.577   6.798  1.00 11.22           H   new
ATOM      0  HH  TYR A  28       1.907   6.493   7.484  1.00 24.24           H   new
ATOM    464  N   GLN A  29       2.223   0.488   0.707  1.00 35.55           N
ATOM    465  CA  GLN A  29       1.891  -0.479  -0.341  1.00 31.21           C
ATOM    466  C   GLN A  29       0.465  -1.012  -0.186  1.00 34.31           C
ATOM    467  O   GLN A  29       0.135  -1.645   0.819  1.00 53.34           O
ATOM    468  CB  GLN A  29       2.867  -1.663  -0.321  1.00 75.31           C
ATOM    469  CG  GLN A  29       4.320  -1.281  -0.571  1.00 73.35           C
ATOM    470  CD  GLN A  29       5.192  -2.485  -0.883  1.00 35.30           C
ATOM    471  OE1 GLN A  29       4.940  -3.594  -0.416  1.00 65.12           O
ATOM    472  NE2 GLN A  29       6.219  -2.286  -1.683  1.00  3.02           N
ATOM      0  H   GLN A  29       2.655   0.075   1.534  1.00 35.55           H   new
ATOM      0  HA  GLN A  29       1.970   0.047  -1.292  1.00 31.21           H   new
ATOM      0  HB2 GLN A  29       2.796  -2.161   0.646  1.00 75.31           H   new
ATOM      0  HB3 GLN A  29       2.558  -2.386  -1.076  1.00 75.31           H   new
ATOM      0  HG2 GLN A  29       4.369  -0.576  -1.401  1.00 73.35           H   new
ATOM      0  HG3 GLN A  29       4.714  -0.769   0.307  1.00 73.35           H   new
ATOM      0 HE21 GLN A  29       6.403  -1.354  -2.055  1.00  3.02           H   new
ATOM      0 HE22 GLN A  29       6.831  -3.064  -1.931  1.00  3.02           H   new
ATOM    481  N   LEU A  30      -0.374  -0.756  -1.179  1.00 33.31           N
ATOM    482  CA  LEU A  30      -1.713  -1.335  -1.211  1.00 35.23           C
ATOM    483  C   LEU A  30      -1.656  -2.773  -1.746  1.00 53.13           C
ATOM    484  O   LEU A  30      -1.480  -2.996  -2.946  1.00 61.41           O
ATOM    485  CB  LEU A  30      -2.653  -0.487  -2.079  1.00 10.35           C
ATOM    486  CG  LEU A  30      -4.081  -1.043  -2.235  1.00 55.32           C
ATOM    487  CD1 LEU A  30      -4.762  -1.195  -0.878  1.00 72.31           C
ATOM    488  CD2 LEU A  30      -4.908  -0.158  -3.163  1.00 31.13           C
ATOM      0  H   LEU A  30      -0.154  -0.153  -1.972  1.00 33.31           H   new
ATOM      0  HA  LEU A  30      -2.104  -1.349  -0.193  1.00 35.23           H   new
ATOM      0  HB2 LEU A  30      -2.714   0.513  -1.650  1.00 10.35           H   new
ATOM      0  HB3 LEU A  30      -2.211  -0.382  -3.070  1.00 10.35           H   new
ATOM      0  HG  LEU A  30      -4.009  -2.033  -2.685  1.00 55.32           H   new
ATOM      0 HD11 LEU A  30      -5.768  -1.589  -1.018  1.00 72.31           H   new
ATOM      0 HD12 LEU A  30      -4.187  -1.882  -0.257  1.00 72.31           H   new
ATOM      0 HD13 LEU A  30      -4.818  -0.223  -0.388  1.00 72.31           H   new
ATOM      0 HD21 LEU A  30      -5.913  -0.570  -3.259  1.00 31.13           H   new
ATOM      0 HD22 LEU A  30      -4.966   0.849  -2.749  1.00 31.13           H   new
ATOM      0 HD23 LEU A  30      -4.437  -0.120  -4.145  1.00 31.13           H   new
ATOM    500  N   ARG A  31      -1.773  -3.744  -0.849  1.00 23.14           N
ATOM    501  CA  ARG A  31      -1.763  -5.162  -1.222  1.00 34.24           C
ATOM    502  C   ARG A  31      -3.120  -5.808  -0.934  1.00 20.22           C
ATOM    503  O   ARG A  31      -3.985  -5.199  -0.306  1.00 31.12           O
ATOM    504  CB  ARG A  31      -0.656  -5.904  -0.462  1.00 54.43           C
ATOM    505  CG  ARG A  31       0.757  -5.463  -0.836  1.00 23.45           C
ATOM    506  CD  ARG A  31       1.814  -6.274  -0.100  1.00 55.45           C
ATOM    507  NE  ARG A  31       3.155  -6.026  -0.622  1.00 52.22           N
ATOM    508  CZ  ARG A  31       4.064  -6.951  -0.755  1.00 21.43           C
ATOM    509  NH1 ARG A  31       3.840  -8.157  -0.332  1.00 15.33           N
ATOM    510  NH2 ARG A  31       5.207  -6.661  -1.280  1.00 73.34           N
ATOM      0  H   ARG A  31      -1.877  -3.578   0.152  1.00 23.14           H   new
ATOM      0  HA  ARG A  31      -1.567  -5.232  -2.292  1.00 34.24           H   new
ATOM      0  HB2 ARG A  31      -0.801  -5.754   0.608  1.00 54.43           H   new
ATOM      0  HB3 ARG A  31      -0.754  -6.973  -0.651  1.00 54.43           H   new
ATOM      0  HG2 ARG A  31       0.899  -5.571  -1.911  1.00 23.45           H   new
ATOM      0  HG3 ARG A  31       0.882  -4.406  -0.603  1.00 23.45           H   new
ATOM      0  HD2 ARG A  31       1.787  -6.027   0.961  1.00 55.45           H   new
ATOM      0  HD3 ARG A  31       1.582  -7.335  -0.186  1.00 55.45           H   new
ATOM      0  HE  ARG A  31       3.394  -5.074  -0.899  1.00 52.22           H   new
ATOM      0 HH11 ARG A  31       2.949  -8.386   0.108  1.00 15.33           H   new
ATOM      0 HH12 ARG A  31       4.555  -8.876  -0.439  1.00 15.33           H   new
ATOM      0 HH21 ARG A  31       5.399  -5.709  -1.591  1.00 73.34           H   new
ATOM      0 HH22 ARG A  31       5.919  -7.384  -1.384  1.00 73.34           H   new
ATOM    524  N   ALA A  32      -3.303  -7.041  -1.386  1.00 61.14           N
ATOM    525  CA  ALA A  32      -4.564  -7.754  -1.176  1.00 32.25           C
ATOM    526  C   ALA A  32      -4.343  -9.127  -0.528  1.00  3.52           C
ATOM    527  O   ALA A  32      -3.299  -9.752  -0.704  1.00 22.30           O
ATOM    528  CB  ALA A  32      -5.295  -7.901  -2.502  1.00 50.31           C
ATOM      0  H   ALA A  32      -2.599  -7.571  -1.900  1.00 61.14           H   new
ATOM      0  HA  ALA A  32      -5.174  -7.168  -0.488  1.00 32.25           H   new
ATOM      0  HB1 ALA A  32      -6.233  -8.432  -2.343  1.00 50.31           H   new
ATOM      0  HB2 ALA A  32      -5.502  -6.914  -2.915  1.00 50.31           H   new
ATOM      0  HB3 ALA A  32      -4.674  -8.463  -3.200  1.00 50.31           H   new
ATOM    534  N   ASP A  33      -5.333  -9.582   0.236  1.00 63.40           N
ATOM    535  CA  ASP A  33      -5.299 -10.912   0.848  1.00 42.13           C
ATOM    536  C   ASP A  33      -5.504 -12.019  -0.201  1.00 21.04           C
ATOM    537  O   ASP A  33      -5.085 -13.162  -0.012  1.00 45.23           O
ATOM    538  CB  ASP A  33      -6.389 -11.015   1.917  1.00 72.42           C
ATOM    539  CG  ASP A  33      -6.186 -10.029   3.053  1.00 45.15           C
ATOM    540  OD1 ASP A  33      -6.522  -8.841   2.885  1.00 22.23           O
ATOM    541  OD2 ASP A  33      -5.700 -10.447   4.125  1.00 22.40           O
ATOM      0  H   ASP A  33      -6.175  -9.047   0.448  1.00 63.40           H   new
ATOM      0  HA  ASP A  33      -4.317 -11.049   1.301  1.00 42.13           H   new
ATOM      0  HB2 ASP A  33      -7.362 -10.839   1.457  1.00 72.42           H   new
ATOM      0  HB3 ASP A  33      -6.405 -12.028   2.318  1.00 72.42           H   new
ATOM    546  N   HIS A  34      -6.171 -11.671  -1.301  1.00 33.14           N
ATOM    547  CA  HIS A  34      -6.462 -12.625  -2.377  1.00 42.20           C
ATOM    548  C   HIS A  34      -6.110 -12.030  -3.758  1.00 20.40           C
ATOM    549  O   HIS A  34      -6.334 -10.844  -4.005  1.00 55.33           O
ATOM    550  CB  HIS A  34      -7.944 -13.038  -2.337  1.00 64.41           C
ATOM    551  CG  HIS A  34      -8.343 -13.720  -1.060  1.00 41.43           C
ATOM    552  ND1 HIS A  34      -8.375 -15.089  -0.916  1.00 32.13           N
ATOM    553  CD2 HIS A  34      -8.723 -13.214   0.140  1.00 34.02           C
ATOM    554  CE1 HIS A  34      -8.751 -15.397   0.306  1.00 32.21           C
ATOM    555  NE2 HIS A  34      -8.968 -14.281   0.967  1.00 63.42           N
ATOM      0  H   HIS A  34      -6.523 -10.729  -1.473  1.00 33.14           H   new
ATOM      0  HA  HIS A  34      -5.844 -13.509  -2.222  1.00 42.20           H   new
ATOM      0  HB2 HIS A  34      -8.563 -12.152  -2.475  1.00 64.41           H   new
ATOM      0  HB3 HIS A  34      -8.150 -13.704  -3.175  1.00 64.41           H   new
ATOM      0  HD2 HIS A  34      -8.815 -12.169   0.396  1.00 34.02           H   new
ATOM      0  HE1 HIS A  34      -8.863 -16.396   0.700  1.00 32.21           H   new
ATOM      0  HE2 HIS A  34      -9.270 -14.219   1.939  1.00 63.42           H   new
ATOM    564  N   PRO A  35      -5.563 -12.849  -4.688  1.00  5.44           N
ATOM    565  CA  PRO A  35      -5.295 -14.282  -4.471  1.00 60.21           C
ATOM    566  C   PRO A  35      -4.039 -14.545  -3.619  1.00 45.13           C
ATOM    567  O   PRO A  35      -3.969 -15.535  -2.889  1.00 55.11           O
ATOM    568  CB  PRO A  35      -5.104 -14.836  -5.902  1.00 15.54           C
ATOM    569  CG  PRO A  35      -5.405 -13.696  -6.833  1.00 73.13           C
ATOM    570  CD  PRO A  35      -5.172 -12.440  -6.039  1.00 51.24           C
ATOM      0  HA  PRO A  35      -6.104 -14.756  -3.916  1.00 60.21           H   new
ATOM      0  HB2 PRO A  35      -4.087 -15.199  -6.047  1.00 15.54           H   new
ATOM      0  HB3 PRO A  35      -5.772 -15.677  -6.087  1.00 15.54           H   new
ATOM      0  HG2 PRO A  35      -4.759 -13.728  -7.711  1.00 73.13           H   new
ATOM      0  HG3 PRO A  35      -6.433 -13.746  -7.191  1.00 73.13           H   new
ATOM      0  HD2 PRO A  35      -4.131 -12.119  -6.082  1.00 51.24           H   new
ATOM      0  HD3 PRO A  35      -5.777 -11.610  -6.404  1.00 51.24           H   new
ATOM    578  N   LYS A  36      -3.056 -13.651  -3.704  1.00 21.13           N
ATOM    579  CA  LYS A  36      -1.783 -13.823  -2.995  1.00 51.31           C
ATOM    580  C   LYS A  36      -1.468 -12.612  -2.097  1.00 63.34           C
ATOM    581  O   LYS A  36      -1.763 -11.474  -2.456  1.00 14.41           O
ATOM    582  CB  LYS A  36      -0.644 -14.027  -4.008  1.00  4.21           C
ATOM    583  CG  LYS A  36      -0.824 -15.242  -4.917  1.00 31.43           C
ATOM    584  CD  LYS A  36      -0.873 -16.551  -4.134  1.00 31.30           C
ATOM    585  CE  LYS A  36       0.414 -16.804  -3.357  1.00 74.23           C
ATOM    586  NZ  LYS A  36       1.612 -16.834  -4.242  1.00 63.23           N
ATOM      0  H   LYS A  36      -3.114 -12.796  -4.258  1.00 21.13           H   new
ATOM      0  HA  LYS A  36      -1.871 -14.703  -2.357  1.00 51.31           H   new
ATOM      0  HB2 LYS A  36      -0.559 -13.134  -4.627  1.00  4.21           H   new
ATOM      0  HB3 LYS A  36       0.296 -14.129  -3.465  1.00  4.21           H   new
ATOM      0  HG2 LYS A  36      -1.744 -15.130  -5.491  1.00 31.43           H   new
ATOM      0  HG3 LYS A  36      -0.004 -15.281  -5.634  1.00 31.43           H   new
ATOM      0  HD2 LYS A  36      -1.715 -16.527  -3.442  1.00 31.30           H   new
ATOM      0  HD3 LYS A  36      -1.049 -17.378  -4.822  1.00 31.30           H   new
ATOM      0  HE2 LYS A  36       0.540 -16.026  -2.604  1.00 74.23           H   new
ATOM      0  HE3 LYS A  36       0.334 -17.752  -2.825  1.00 74.23           H   new
ATOM      0  HZ1 LYS A  36       2.434 -17.174  -3.703  1.00 63.23           H   new
ATOM      0  HZ2 LYS A  36       1.436 -17.473  -5.044  1.00 63.23           H   new
ATOM      0  HZ3 LYS A  36       1.804 -15.876  -4.599  1.00 63.23           H   new
ATOM    600  N   PRO A  37      -0.860 -12.841  -0.915  1.00  1.52           N
ATOM    601  CA  PRO A  37      -0.470 -11.755   0.005  1.00 51.34           C
ATOM    602  C   PRO A  37       0.433 -10.696  -0.654  1.00 62.25           C
ATOM    603  O   PRO A  37       0.442  -9.529  -0.254  1.00 52.10           O
ATOM    604  CB  PRO A  37       0.286 -12.489   1.123  1.00 35.04           C
ATOM    605  CG  PRO A  37      -0.238 -13.885   1.078  1.00 61.20           C
ATOM    606  CD  PRO A  37      -0.516 -14.171  -0.372  1.00 32.21           C
ATOM      0  HA  PRO A  37      -1.338 -11.194   0.350  1.00 51.34           H   new
ATOM      0  HB2 PRO A  37       1.363 -12.464   0.956  1.00 35.04           H   new
ATOM      0  HB3 PRO A  37       0.103 -12.028   2.094  1.00 35.04           H   new
ATOM      0  HG2 PRO A  37       0.489 -14.589   1.483  1.00 61.20           H   new
ATOM      0  HG3 PRO A  37      -1.144 -13.982   1.677  1.00 61.20           H   new
ATOM      0  HD2 PRO A  37       0.353 -14.598  -0.872  1.00 32.21           H   new
ATOM      0  HD3 PRO A  37      -1.335 -14.880  -0.493  1.00 32.21           H   new
ATOM    614  N   ASP A  38       1.197 -11.108  -1.670  1.00  1.32           N
ATOM    615  CA  ASP A  38       2.091 -10.191  -2.383  1.00 35.23           C
ATOM    616  C   ASP A  38       1.418  -9.572  -3.621  1.00 13.14           C
ATOM    617  O   ASP A  38       2.089  -8.971  -4.463  1.00 75.31           O
ATOM    618  CB  ASP A  38       3.381 -10.915  -2.788  1.00  4.54           C
ATOM    619  CG  ASP A  38       4.206 -11.329  -1.580  1.00 73.51           C
ATOM    620  OD1 ASP A  38       5.029 -10.515  -1.104  1.00 61.22           O
ATOM    621  OD2 ASP A  38       4.038 -12.467  -1.099  1.00 43.11           O
ATOM      0  H   ASP A  38       1.214 -12.067  -2.016  1.00  1.32           H   new
ATOM      0  HA  ASP A  38       2.333  -9.376  -1.701  1.00 35.23           H   new
ATOM      0  HB2 ASP A  38       3.132 -11.798  -3.376  1.00  4.54           H   new
ATOM      0  HB3 ASP A  38       3.977 -10.264  -3.428  1.00  4.54           H   new
ATOM    626  N   SER A  39       0.094  -9.706  -3.732  1.00 25.11           N
ATOM    627  CA  SER A  39      -0.649  -9.048  -4.815  1.00 75.22           C
ATOM    628  C   SER A  39      -0.641  -7.525  -4.619  1.00 73.54           C
ATOM    629  O   SER A  39      -1.562  -6.953  -4.036  1.00  4.53           O
ATOM    630  CB  SER A  39      -2.095  -9.567  -4.899  1.00 25.34           C
ATOM    631  OG  SER A  39      -2.139 -10.943  -5.253  1.00  3.21           O
ATOM      0  H   SER A  39      -0.482 -10.257  -3.095  1.00 25.11           H   new
ATOM      0  HA  SER A  39      -0.152  -9.288  -5.755  1.00 75.22           H   new
ATOM      0  HB2 SER A  39      -2.590  -9.422  -3.939  1.00 25.34           H   new
ATOM      0  HB3 SER A  39      -2.649  -8.984  -5.635  1.00 25.34           H   new
ATOM      0  HG  SER A  39      -2.182 -11.029  -6.228  1.00  3.21           H   new
ATOM    637  N   LEU A  40       0.430  -6.884  -5.076  1.00 12.44           N
ATOM    638  CA  LEU A  40       0.613  -5.438  -4.914  1.00 22.13           C
ATOM    639  C   LEU A  40      -0.128  -4.645  -6.000  1.00 72.11           C
ATOM    640  O   LEU A  40       0.108  -4.835  -7.197  1.00 42.40           O
ATOM    641  CB  LEU A  40       2.113  -5.099  -4.926  1.00 33.13           C
ATOM    642  CG  LEU A  40       2.460  -3.603  -4.826  1.00  4.42           C
ATOM    643  CD1 LEU A  40       1.880  -2.991  -3.554  1.00 55.20           C
ATOM    644  CD2 LEU A  40       3.975  -3.397  -4.881  1.00 70.32           C
ATOM      0  H   LEU A  40       1.195  -7.346  -5.568  1.00 12.44           H   new
ATOM      0  HA  LEU A  40       0.185  -5.148  -3.954  1.00 22.13           H   new
ATOM      0  HB2 LEU A  40       2.591  -5.620  -4.097  1.00 33.13           H   new
ATOM      0  HB3 LEU A  40       2.549  -5.494  -5.844  1.00 33.13           H   new
ATOM      0  HG  LEU A  40       2.012  -3.095  -5.680  1.00  4.42           H   new
ATOM      0 HD11 LEU A  40       2.140  -1.933  -3.508  1.00 55.20           H   new
ATOM      0 HD12 LEU A  40       0.795  -3.098  -3.560  1.00 55.20           H   new
ATOM      0 HD13 LEU A  40       2.290  -3.504  -2.684  1.00 55.20           H   new
ATOM      0 HD21 LEU A  40       4.200  -2.333  -4.809  1.00 70.32           H   new
ATOM      0 HD22 LEU A  40       4.444  -3.924  -4.051  1.00 70.32           H   new
ATOM      0 HD23 LEU A  40       4.361  -3.787  -5.823  1.00 70.32           H   new
ATOM    656  N   ILE A  41      -1.021  -3.759  -5.575  1.00 21.14           N
ATOM    657  CA  ILE A  41      -1.790  -2.918  -6.494  1.00 24.13           C
ATOM    658  C   ILE A  41      -1.037  -1.617  -6.833  1.00 61.14           C
ATOM    659  O   ILE A  41      -0.886  -1.264  -8.004  1.00 45.23           O
ATOM    660  CB  ILE A  41      -3.178  -2.566  -5.892  1.00 43.34           C
ATOM    661  CG1 ILE A  41      -3.938  -3.848  -5.496  1.00 21.31           C
ATOM    662  CG2 ILE A  41      -4.002  -1.734  -6.875  1.00 22.35           C
ATOM    663  CD1 ILE A  41      -4.191  -4.801  -6.648  1.00 32.54           C
ATOM      0  H   ILE A  41      -1.234  -3.601  -4.590  1.00 21.14           H   new
ATOM      0  HA  ILE A  41      -1.929  -3.490  -7.411  1.00 24.13           H   new
ATOM      0  HB  ILE A  41      -3.018  -1.970  -4.994  1.00 43.34           H   new
ATOM      0 HG12 ILE A  41      -3.371  -4.370  -4.725  1.00 21.31           H   new
ATOM      0 HG13 ILE A  41      -4.894  -3.568  -5.054  1.00 21.31           H   new
ATOM      0 HG21 ILE A  41      -4.970  -1.500  -6.431  1.00 22.35           H   new
ATOM      0 HG22 ILE A  41      -3.473  -0.808  -7.101  1.00 22.35           H   new
ATOM      0 HG23 ILE A  41      -4.152  -2.300  -7.794  1.00 22.35           H   new
ATOM      0 HD11 ILE A  41      -4.730  -5.676  -6.285  1.00 32.54           H   new
ATOM      0 HD12 ILE A  41      -4.786  -4.299  -7.411  1.00 32.54           H   new
ATOM      0 HD13 ILE A  41      -3.239  -5.113  -7.077  1.00 32.54           H   new
ATOM    675  N   SER A  42      -0.559  -0.914  -5.799  1.00 75.30           N
ATOM    676  CA  SER A  42       0.139   0.374  -5.984  1.00 20.42           C
ATOM    677  C   SER A  42       0.745   0.891  -4.668  1.00 11.01           C
ATOM    678  O   SER A  42       0.200   0.649  -3.588  1.00 74.41           O
ATOM    679  CB  SER A  42      -0.839   1.421  -6.541  1.00 61.25           C
ATOM    680  OG  SER A  42      -0.258   2.717  -6.590  1.00 64.32           O
ATOM      0  H   SER A  42      -0.640  -1.210  -4.826  1.00 75.30           H   new
ATOM      0  HA  SER A  42       0.954   0.209  -6.689  1.00 20.42           H   new
ATOM      0  HB2 SER A  42      -1.154   1.127  -7.542  1.00 61.25           H   new
ATOM      0  HB3 SER A  42      -1.734   1.448  -5.920  1.00 61.25           H   new
ATOM      0  HG  SER A  42      -0.907   3.379  -6.272  1.00 64.32           H   new
ATOM    686  N   GLU A  43       1.865   1.612  -4.764  1.00 40.31           N
ATOM    687  CA  GLU A  43       2.488   2.253  -3.593  1.00 31.30           C
ATOM    688  C   GLU A  43       2.205   3.764  -3.581  1.00 60.22           C
ATOM    689  O   GLU A  43       2.343   4.444  -4.599  1.00 15.02           O
ATOM    690  CB  GLU A  43       4.010   2.021  -3.569  1.00 11.12           C
ATOM    691  CG  GLU A  43       4.427   0.550  -3.622  1.00 73.14           C
ATOM    692  CD  GLU A  43       4.851   0.097  -5.011  1.00 53.10           C
ATOM    693  OE1 GLU A  43       4.014   0.133  -5.937  1.00 34.12           O
ATOM    694  OE2 GLU A  43       6.025  -0.301  -5.182  1.00 52.31           O
ATOM      0  H   GLU A  43       2.363   1.769  -5.640  1.00 40.31           H   new
ATOM      0  HA  GLU A  43       2.049   1.796  -2.706  1.00 31.30           H   new
ATOM      0  HB2 GLU A  43       4.458   2.544  -4.414  1.00 11.12           H   new
ATOM      0  HB3 GLU A  43       4.419   2.469  -2.664  1.00 11.12           H   new
ATOM      0  HG2 GLU A  43       5.250   0.387  -2.927  1.00 73.14           H   new
ATOM      0  HG3 GLU A  43       3.596  -0.069  -3.283  1.00 73.14           H   new
ATOM    701  N   HIS A  44       1.806   4.288  -2.425  1.00 24.52           N
ATOM    702  CA  HIS A  44       1.461   5.710  -2.286  1.00  4.23           C
ATOM    703  C   HIS A  44       2.207   6.358  -1.106  1.00 43.53           C
ATOM    704  O   HIS A  44       2.402   5.729  -0.069  1.00 75.54           O
ATOM    705  CB  HIS A  44      -0.054   5.858  -2.107  1.00 74.21           C
ATOM    706  CG  HIS A  44      -0.842   5.464  -3.323  1.00 43.14           C
ATOM    707  ND1 HIS A  44      -1.506   6.373  -4.117  1.00 12.55           N
ATOM    708  CD2 HIS A  44      -1.062   4.252  -3.887  1.00 14.23           C
ATOM    709  CE1 HIS A  44      -2.097   5.741  -5.110  1.00 63.02           C
ATOM    710  NE2 HIS A  44      -1.842   4.452  -5.000  1.00  5.10           N
ATOM      0  H   HIS A  44       1.712   3.750  -1.564  1.00 24.52           H   new
ATOM      0  HA  HIS A  44       1.771   6.228  -3.194  1.00  4.23           H   new
ATOM      0  HB2 HIS A  44      -0.374   5.247  -1.263  1.00 74.21           H   new
ATOM      0  HB3 HIS A  44      -0.283   6.894  -1.855  1.00 74.21           H   new
ATOM      0  HD1 HIS A  44      -1.535   7.380  -3.960  1.00 12.55           H   new
ATOM      0  HD2 HIS A  44      -0.692   3.303  -3.528  1.00 14.23           H   new
ATOM      0  HE1 HIS A  44      -2.691   6.202  -5.885  1.00 63.02           H   new
ATOM    719  N   PRO A  45       2.623   7.635  -1.247  1.00 41.14           N
ATOM    720  CA  PRO A  45       3.460   8.323  -0.237  1.00 64.12           C
ATOM    721  C   PRO A  45       2.719   8.687   1.068  1.00 30.42           C
ATOM    722  O   PRO A  45       3.342   8.799   2.124  1.00 61.30           O
ATOM    723  CB  PRO A  45       3.915   9.592  -0.971  1.00 72.41           C
ATOM    724  CG  PRO A  45       2.824   9.864  -1.953  1.00 74.21           C
ATOM    725  CD  PRO A  45       2.320   8.514  -2.400  1.00  5.14           C
ATOM      0  HA  PRO A  45       4.269   7.677   0.103  1.00 64.12           H   new
ATOM      0  HB2 PRO A  45       4.045  10.425  -0.281  1.00 72.41           H   new
ATOM      0  HB3 PRO A  45       4.871   9.440  -1.471  1.00 72.41           H   new
ATOM      0  HG2 PRO A  45       2.024  10.447  -1.496  1.00 74.21           H   new
ATOM      0  HG3 PRO A  45       3.196  10.441  -2.799  1.00 74.21           H   new
ATOM      0  HD2 PRO A  45       1.252   8.536  -2.619  1.00  5.14           H   new
ATOM      0  HD3 PRO A  45       2.824   8.177  -3.306  1.00  5.14           H   new
ATOM    733  N   THR A  46       1.399   8.883   1.004  1.00 73.00           N
ATOM    734  CA  THR A  46       0.624   9.273   2.196  1.00  2.11           C
ATOM    735  C   THR A  46      -0.371   8.181   2.617  1.00  2.15           C
ATOM    736  O   THR A  46      -0.853   7.402   1.786  1.00  3.22           O
ATOM    737  CB  THR A  46      -0.168  10.588   1.977  1.00 33.23           C
ATOM    738  OG1 THR A  46      -1.269  10.361   1.083  1.00  2.24           O
ATOM    739  CG2 THR A  46       0.730  11.683   1.408  1.00  1.15           C
ATOM      0  H   THR A  46       0.846   8.781   0.153  1.00 73.00           H   new
ATOM      0  HA  THR A  46       1.362   9.422   2.984  1.00  2.11           H   new
ATOM      0  HB  THR A  46      -0.545  10.915   2.946  1.00 33.23           H   new
ATOM      0  HG1 THR A  46      -1.763  11.197   0.953  1.00  2.24           H   new
ATOM      0 HG21 THR A  46       0.148  12.593   1.265  1.00  1.15           H   new
ATOM      0 HG22 THR A  46       1.547  11.880   2.102  1.00  1.15           H   new
ATOM      0 HG23 THR A  46       1.137  11.359   0.450  1.00  1.15           H   new
ATOM    747  N   ALA A  47      -0.670   8.126   3.915  1.00  4.12           N
ATOM    748  CA  ALA A  47      -1.647   7.175   4.455  1.00 41.01           C
ATOM    749  C   ALA A  47      -3.038   7.379   3.835  1.00 55.53           C
ATOM    750  O   ALA A  47      -3.744   6.412   3.537  1.00 13.32           O
ATOM    751  CB  ALA A  47      -1.721   7.296   5.974  1.00 63.42           C
ATOM      0  H   ALA A  47      -0.247   8.733   4.618  1.00  4.12           H   new
ATOM      0  HA  ALA A  47      -1.312   6.171   4.194  1.00 41.01           H   new
ATOM      0  HB1 ALA A  47      -2.450   6.584   6.361  1.00 63.42           H   new
ATOM      0  HB2 ALA A  47      -0.742   7.083   6.404  1.00 63.42           H   new
ATOM      0  HB3 ALA A  47      -2.023   8.308   6.244  1.00 63.42           H   new
ATOM    757  N   GLN A  48      -3.426   8.641   3.637  1.00 13.34           N
ATOM    758  CA  GLN A  48      -4.715   8.966   3.016  1.00 33.22           C
ATOM    759  C   GLN A  48      -4.789   8.415   1.584  1.00 11.21           C
ATOM    760  O   GLN A  48      -5.817   7.878   1.170  1.00 63.31           O
ATOM    761  CB  GLN A  48      -4.941  10.482   3.010  1.00 51.54           C
ATOM    762  CG  GLN A  48      -6.289  10.907   2.428  1.00 34.01           C
ATOM    763  CD  GLN A  48      -7.466  10.294   3.170  1.00 12.21           C
ATOM    764  OE1 GLN A  48      -7.977  10.861   4.134  1.00 54.15           O
ATOM    765  NE2 GLN A  48      -7.912   9.131   2.731  1.00 75.14           N
ATOM      0  H   GLN A  48      -2.868   9.454   3.897  1.00 13.34           H   new
ATOM      0  HA  GLN A  48      -5.501   8.495   3.606  1.00 33.22           H   new
ATOM      0  HB2 GLN A  48      -4.864  10.855   4.031  1.00 51.54           H   new
ATOM      0  HB3 GLN A  48      -4.144  10.956   2.437  1.00 51.54           H   new
ATOM      0  HG2 GLN A  48      -6.369  11.994   2.462  1.00 34.01           H   new
ATOM      0  HG3 GLN A  48      -6.335  10.617   1.378  1.00 34.01           H   new
ATOM      0 HE21 GLN A  48      -7.468   8.684   1.929  1.00 75.14           H   new
ATOM      0 HE22 GLN A  48      -8.701   8.679   3.194  1.00 75.14           H   new
ATOM    774  N   GLU A  49      -3.698   8.563   0.833  1.00 15.11           N
ATOM    775  CA  GLU A  49      -3.587   7.978  -0.511  1.00 52.13           C
ATOM    776  C   GLU A  49      -3.818   6.460  -0.481  1.00  1.10           C
ATOM    777  O   GLU A  49      -4.561   5.915  -1.299  1.00 33.11           O
ATOM    778  CB  GLU A  49      -2.195   8.272  -1.093  1.00 22.12           C
ATOM    779  CG  GLU A  49      -2.058   9.639  -1.749  1.00  3.35           C
ATOM    780  CD  GLU A  49      -2.677   9.675  -3.134  1.00  1.05           C
ATOM    781  OE1 GLU A  49      -2.006   9.236  -4.095  1.00 61.23           O
ATOM    782  OE2 GLU A  49      -3.831  10.122  -3.267  1.00 24.13           O
ATOM      0  H   GLU A  49      -2.873   9.084   1.130  1.00 15.11           H   new
ATOM      0  HA  GLU A  49      -4.355   8.429  -1.139  1.00 52.13           H   new
ATOM      0  HB2 GLU A  49      -1.457   8.191  -0.295  1.00 22.12           H   new
ATOM      0  HB3 GLU A  49      -1.954   7.505  -1.829  1.00 22.12           H   new
ATOM      0  HG2 GLU A  49      -2.535  10.391  -1.120  1.00  3.35           H   new
ATOM      0  HG3 GLU A  49      -1.003   9.903  -1.818  1.00  3.35           H   new
ATOM    789  N   ALA A  50      -3.164   5.786   0.462  1.00 32.22           N
ATOM    790  CA  ALA A  50      -3.280   4.331   0.602  1.00 63.01           C
ATOM    791  C   ALA A  50      -4.715   3.899   0.941  1.00  1.24           C
ATOM    792  O   ALA A  50      -5.280   3.026   0.283  1.00 64.13           O
ATOM    793  CB  ALA A  50      -2.306   3.833   1.664  1.00 24.14           C
ATOM      0  H   ALA A  50      -2.545   6.224   1.145  1.00 32.22           H   new
ATOM      0  HA  ALA A  50      -3.028   3.882  -0.358  1.00 63.01           H   new
ATOM      0  HB1 ALA A  50      -2.397   2.751   1.763  1.00 24.14           H   new
ATOM      0  HB2 ALA A  50      -1.287   4.086   1.370  1.00 24.14           H   new
ATOM      0  HB3 ALA A  50      -2.536   4.305   2.619  1.00 24.14           H   new
ATOM    799  N   MET A  51      -5.300   4.521   1.964  1.00 51.23           N
ATOM    800  CA  MET A  51      -6.669   4.197   2.393  1.00 43.41           C
ATOM    801  C   MET A  51      -7.703   4.508   1.296  1.00 52.24           C
ATOM    802  O   MET A  51      -8.652   3.750   1.093  1.00  1.33           O
ATOM    803  CB  MET A  51      -7.023   4.959   3.679  1.00 64.32           C
ATOM    804  CG  MET A  51      -6.250   4.486   4.904  1.00 10.42           C
ATOM    805  SD  MET A  51      -6.595   2.765   5.328  1.00 73.43           S
ATOM    806  CE  MET A  51      -8.363   2.834   5.640  1.00 54.43           C
ATOM      0  H   MET A  51      -4.851   5.253   2.514  1.00 51.23           H   new
ATOM      0  HA  MET A  51      -6.702   3.125   2.588  1.00 43.41           H   new
ATOM      0  HB2 MET A  51      -6.830   6.021   3.526  1.00 64.32           H   new
ATOM      0  HB3 MET A  51      -8.091   4.853   3.871  1.00 64.32           H   new
ATOM      0  HG2 MET A  51      -5.182   4.603   4.721  1.00 10.42           H   new
ATOM      0  HG3 MET A  51      -6.500   5.122   5.753  1.00 10.42           H   new
ATOM      0  HE1 MET A  51      -8.660   1.974   6.240  1.00 54.43           H   new
ATOM      0  HE2 MET A  51      -8.602   3.752   6.178  1.00 54.43           H   new
ATOM      0  HE3 MET A  51      -8.901   2.818   4.692  1.00 54.43           H   new
ATOM    816  N   ASP A  52      -7.508   5.624   0.590  1.00 23.51           N
ATOM    817  CA  ASP A  52      -8.417   6.028  -0.492  1.00 53.11           C
ATOM    818  C   ASP A  52      -8.390   5.005  -1.640  1.00 34.22           C
ATOM    819  O   ASP A  52      -9.434   4.538  -2.097  1.00 40.33           O
ATOM    820  CB  ASP A  52      -8.041   7.427  -1.004  1.00 61.30           C
ATOM    821  CG  ASP A  52      -9.044   7.970  -2.011  1.00 64.04           C
ATOM    822  OD1 ASP A  52     -10.181   8.292  -1.608  1.00 74.30           O
ATOM    823  OD2 ASP A  52      -8.698   8.090  -3.205  1.00 44.52           O
ATOM      0  H   ASP A  52      -6.730   6.265   0.746  1.00 23.51           H   new
ATOM      0  HA  ASP A  52      -9.432   6.062  -0.096  1.00 53.11           H   new
ATOM      0  HB2 ASP A  52      -7.972   8.113  -0.159  1.00 61.30           H   new
ATOM      0  HB3 ASP A  52      -7.054   7.388  -1.465  1.00 61.30           H   new
ATOM    828  N   ALA A  53      -7.188   4.648  -2.092  1.00 10.24           N
ATOM    829  CA  ALA A  53      -7.025   3.614  -3.119  1.00 23.50           C
ATOM    830  C   ALA A  53      -7.549   2.251  -2.629  1.00 32.33           C
ATOM    831  O   ALA A  53      -8.143   1.485  -3.392  1.00 73.53           O
ATOM    832  CB  ALA A  53      -5.563   3.507  -3.524  1.00 65.10           C
ATOM      0  H   ALA A  53      -6.313   5.058  -1.765  1.00 10.24           H   new
ATOM      0  HA  ALA A  53      -7.615   3.903  -3.989  1.00 23.50           H   new
ATOM      0  HB1 ALA A  53      -5.452   2.737  -4.287  1.00 65.10           H   new
ATOM      0  HB2 ALA A  53      -5.225   4.464  -3.922  1.00 65.10           H   new
ATOM      0  HB3 ALA A  53      -4.963   3.244  -2.653  1.00 65.10           H   new
ATOM    838  N   LYS A  54      -7.323   1.964  -1.347  1.00 42.23           N
ATOM    839  CA  LYS A  54      -7.808   0.733  -0.708  1.00  1.12           C
ATOM    840  C   LYS A  54      -9.331   0.591  -0.856  1.00 63.43           C
ATOM    841  O   LYS A  54      -9.832  -0.465  -1.245  1.00 43.32           O
ATOM    842  CB  LYS A  54      -7.407   0.742   0.777  1.00 31.34           C
ATOM    843  CG  LYS A  54      -7.851  -0.483   1.566  1.00 63.30           C
ATOM    844  CD  LYS A  54      -7.298  -0.453   2.991  1.00 11.24           C
ATOM    845  CE  LYS A  54      -7.802  -1.623   3.826  1.00 32.43           C
ATOM    846  NZ  LYS A  54      -9.266  -1.549   4.062  1.00 10.25           N
ATOM      0  H   LYS A  54      -6.800   2.575  -0.720  1.00 42.23           H   new
ATOM      0  HA  LYS A  54      -7.351  -0.124  -1.203  1.00  1.12           H   new
ATOM      0  HB2 LYS A  54      -6.323   0.827   0.845  1.00 31.34           H   new
ATOM      0  HB3 LYS A  54      -7.827   1.631   1.247  1.00 31.34           H   new
ATOM      0  HG2 LYS A  54      -8.940  -0.524   1.596  1.00 63.30           H   new
ATOM      0  HG3 LYS A  54      -7.512  -1.387   1.060  1.00 63.30           H   new
ATOM      0  HD2 LYS A  54      -6.209  -0.475   2.957  1.00 11.24           H   new
ATOM      0  HD3 LYS A  54      -7.583   0.483   3.470  1.00 11.24           H   new
ATOM      0  HE2 LYS A  54      -7.563  -2.559   3.320  1.00 32.43           H   new
ATOM      0  HE3 LYS A  54      -7.281  -1.636   4.783  1.00 32.43           H   new
ATOM      0  HZ1 LYS A  54      -9.486  -1.933   5.003  1.00 10.25           H   new
ATOM      0  HZ2 LYS A  54      -9.576  -0.558   4.011  1.00 10.25           H   new
ATOM      0  HZ3 LYS A  54      -9.763  -2.105   3.337  1.00 10.25           H   new
ATOM    860  N   LYS A  55     -10.053   1.668  -0.565  1.00 13.23           N
ATOM    861  CA  LYS A  55     -11.510   1.696  -0.732  1.00  4.35           C
ATOM    862  C   LYS A  55     -11.915   1.415  -2.187  1.00 63.10           C
ATOM    863  O   LYS A  55     -12.844   0.651  -2.451  1.00 12.21           O
ATOM    864  CB  LYS A  55     -12.060   3.062  -0.311  1.00 34.30           C
ATOM    865  CG  LYS A  55     -11.866   3.377   1.169  1.00 52.51           C
ATOM    866  CD  LYS A  55     -12.395   4.764   1.522  1.00 34.13           C
ATOM    867  CE  LYS A  55     -13.845   4.947   1.082  1.00 64.31           C
ATOM    868  NZ  LYS A  55     -14.383   6.279   1.462  1.00  2.40           N
ATOM      0  H   LYS A  55      -9.655   2.538  -0.211  1.00 13.23           H   new
ATOM      0  HA  LYS A  55     -11.930   0.914  -0.099  1.00  4.35           H   new
ATOM      0  HB2 LYS A  55     -11.574   3.837  -0.904  1.00 34.30           H   new
ATOM      0  HB3 LYS A  55     -13.124   3.102  -0.545  1.00 34.30           H   new
ATOM      0  HG2 LYS A  55     -12.379   2.627   1.771  1.00 52.51           H   new
ATOM      0  HG3 LYS A  55     -10.807   3.317   1.419  1.00 52.51           H   new
ATOM      0  HD2 LYS A  55     -12.320   4.919   2.598  1.00 34.13           H   new
ATOM      0  HD3 LYS A  55     -11.773   5.522   1.047  1.00 34.13           H   new
ATOM      0  HE2 LYS A  55     -13.913   4.824   0.001  1.00 64.31           H   new
ATOM      0  HE3 LYS A  55     -14.460   4.167   1.531  1.00 64.31           H   new
ATOM      0  HZ1 LYS A  55     -15.370   6.359   1.143  1.00  2.40           H   new
ATOM      0  HZ2 LYS A  55     -14.343   6.388   2.496  1.00  2.40           H   new
ATOM      0  HZ3 LYS A  55     -13.813   7.024   1.013  1.00  2.40           H   new
ATOM    882  N   ARG A  56     -11.202   2.038  -3.127  1.00 24.22           N
ATOM    883  CA  ARG A  56     -11.484   1.872  -4.558  1.00 72.53           C
ATOM    884  C   ARG A  56     -11.292   0.412  -5.001  1.00 74.32           C
ATOM    885  O   ARG A  56     -11.988  -0.076  -5.891  1.00 44.33           O
ATOM    886  CB  ARG A  56     -10.581   2.796  -5.388  1.00 64.33           C
ATOM    887  CG  ARG A  56     -10.692   4.268  -5.000  1.00 51.23           C
ATOM    888  CD  ARG A  56      -9.767   5.150  -5.831  1.00  1.24           C
ATOM    889  NE  ARG A  56      -9.752   6.528  -5.344  1.00 61.41           N
ATOM    890  CZ  ARG A  56     -10.104   7.563  -6.053  1.00 71.31           C
ATOM    891  NH1 ARG A  56     -10.579   7.420  -7.244  1.00 31.21           N
ATOM    892  NH2 ARG A  56     -10.006   8.744  -5.543  1.00 13.15           N
ATOM      0  H   ARG A  56     -10.423   2.664  -2.924  1.00 24.22           H   new
ATOM      0  HA  ARG A  56     -12.526   2.142  -4.726  1.00 72.53           H   new
ATOM      0  HB2 ARG A  56      -9.545   2.476  -5.274  1.00 64.33           H   new
ATOM      0  HB3 ARG A  56     -10.834   2.687  -6.442  1.00 64.33           H   new
ATOM      0  HG2 ARG A  56     -11.722   4.600  -5.129  1.00 51.23           H   new
ATOM      0  HG3 ARG A  56     -10.450   4.383  -3.943  1.00 51.23           H   new
ATOM      0  HD2 ARG A  56      -8.756   4.744  -5.804  1.00  1.24           H   new
ATOM      0  HD3 ARG A  56     -10.089   5.136  -6.872  1.00  1.24           H   new
ATOM      0  HE  ARG A  56      -9.445   6.690  -4.385  1.00 61.41           H   new
ATOM      0 HH11 ARG A  56     -10.683   6.487  -7.643  1.00 31.21           H   new
ATOM      0 HH12 ARG A  56     -10.850   8.240  -7.787  1.00 31.21           H   new
ATOM      0 HH21 ARG A  56      -9.655   8.862  -4.592  1.00 13.15           H   new
ATOM      0 HH22 ARG A  56     -10.279   9.560  -6.090  1.00 13.15           H   new
ATOM    906  N   TYR A  57     -10.340  -0.278  -4.374  1.00 33.33           N
ATOM    907  CA  TYR A  57     -10.095  -1.695  -4.666  1.00  2.44           C
ATOM    908  C   TYR A  57     -11.151  -2.604  -4.011  1.00 45.41           C
ATOM    909  O   TYR A  57     -11.641  -3.543  -4.635  1.00 60.02           O
ATOM    910  CB  TYR A  57      -8.690  -2.116  -4.198  1.00 50.54           C
ATOM    911  CG  TYR A  57      -8.440  -3.616  -4.313  1.00 72.51           C
ATOM    912  CD1 TYR A  57      -7.924  -4.177  -5.477  1.00  1.40           C
ATOM    913  CD2 TYR A  57      -8.742  -4.471  -3.256  1.00 30.44           C
ATOM    914  CE1 TYR A  57      -7.718  -5.541  -5.582  1.00 22.33           C
ATOM    915  CE2 TYR A  57      -8.537  -5.832  -3.354  1.00 50.41           C
ATOM    916  CZ  TYR A  57      -8.027  -6.362  -4.517  1.00  3.43           C
ATOM    917  OH  TYR A  57      -7.832  -7.719  -4.614  1.00 24.33           O
ATOM      0  H   TYR A  57      -9.726   0.117  -3.662  1.00 33.33           H   new
ATOM      0  HA  TYR A  57     -10.165  -1.814  -5.747  1.00  2.44           H   new
ATOM      0  HB2 TYR A  57      -7.944  -1.584  -4.788  1.00 50.54           H   new
ATOM      0  HB3 TYR A  57      -8.553  -1.810  -3.161  1.00 50.54           H   new
ATOM      0  HD1 TYR A  57      -7.680  -3.537  -6.312  1.00  1.40           H   new
ATOM      0  HD2 TYR A  57      -9.145  -4.061  -2.342  1.00 30.44           H   new
ATOM      0  HE1 TYR A  57      -7.317  -5.961  -6.493  1.00 22.33           H   new
ATOM      0  HE2 TYR A  57      -8.776  -6.478  -2.522  1.00 50.41           H   new
ATOM      0  HH  TYR A  57      -8.100  -8.149  -3.775  1.00 24.33           H   new
ATOM    927  N   GLU A  58     -11.481  -2.331  -2.749  1.00 70.20           N
ATOM    928  CA  GLU A  58     -12.404  -3.189  -1.987  1.00 12.54           C
ATOM    929  C   GLU A  58     -13.878  -2.912  -2.323  1.00 14.22           C
ATOM    930  O   GLU A  58     -14.781  -3.467  -1.688  1.00  2.52           O
ATOM    931  CB  GLU A  58     -12.175  -3.016  -0.484  1.00 75.13           C
ATOM    932  CG  GLU A  58     -10.791  -3.454  -0.024  1.00 61.22           C
ATOM    933  CD  GLU A  58     -10.638  -3.394   1.481  1.00  5.11           C
ATOM    934  OE1 GLU A  58     -10.751  -2.291   2.045  1.00  1.31           O
ATOM    935  OE2 GLU A  58     -10.407  -4.447   2.112  1.00  3.22           O
ATOM      0  H   GLU A  58     -11.128  -1.527  -2.230  1.00 70.20           H   new
ATOM      0  HA  GLU A  58     -12.190  -4.218  -2.276  1.00 12.54           H   new
ATOM      0  HB2 GLU A  58     -12.322  -1.968  -0.221  1.00 75.13           H   new
ATOM      0  HB3 GLU A  58     -12.927  -3.589   0.058  1.00 75.13           H   new
ATOM      0  HG2 GLU A  58     -10.603  -4.472  -0.365  1.00 61.22           H   new
ATOM      0  HG3 GLU A  58     -10.038  -2.817  -0.489  1.00 61.22           H   new
ATOM    942  N   ASP A  59     -14.123  -2.056  -3.305  1.00 63.42           N
ATOM    943  CA  ASP A  59     -15.482  -1.806  -3.776  1.00  2.34           C
ATOM    944  C   ASP A  59     -16.080  -3.113  -4.347  1.00  5.14           C
ATOM    945  O   ASP A  59     -15.394  -3.847  -5.068  1.00 11.20           O
ATOM    946  CB  ASP A  59     -15.470  -0.685  -4.825  1.00 35.12           C
ATOM    947  CG  ASP A  59     -16.814   0.011  -4.954  1.00 34.34           C
ATOM    948  OD1 ASP A  59     -17.149   0.833  -4.076  1.00 52.12           O
ATOM    949  OD2 ASP A  59     -17.539  -0.247  -5.936  1.00 12.20           O
ATOM      0  H   ASP A  59     -13.402  -1.523  -3.791  1.00 63.42           H   new
ATOM      0  HA  ASP A  59     -16.110  -1.481  -2.946  1.00  2.34           H   new
ATOM      0  HB2 ASP A  59     -14.710   0.049  -4.558  1.00 35.12           H   new
ATOM      0  HB3 ASP A  59     -15.186  -1.101  -5.792  1.00 35.12           H   new