USER  MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=19
USER  MOD reduce.3.24.130724 removed 578 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  40 HIS     :FLIP no HD1:sc=   -2.11! C(o=-6.3!,f=-5!)
USER  MOD Set 1.2: A  75 THR OG1 :   rot -160:sc=    -2.9!
USER  MOD Single : A  21 SER OG  :   rot -140:sc=   -0.91
USER  MOD Single : A  23 HIS     :     no HD1:sc=       0  X(o=0,f=0)
USER  MOD Single : A  25 THR OG1 :   rot  170:sc=-0.00908
USER  MOD Single : A  28 ASN     :      amide:sc= -0.0555  X(o=-0.056,f=-0.3)
USER  MOD Single : A  32 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  36 THR OG1 :   rot  180:sc=   -1.45
USER  MOD Single : A  45 MET CE  :methyl  149:sc=  -0.185   (180deg=-1.55)
USER  MOD Single : A  47 LYS NZ  :NH3+   -164:sc=  -0.938   (180deg=-1.32)
USER  MOD Single : A  51 LYS NZ  :NH3+    159:sc=   -1.62   (180deg=-2.2)
USER  MOD Single : A  61 HIS     :     no HE2:sc=   -11.1! C(o=-11!,f=-12!)
USER  MOD Single : A  67 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  68 LYS NZ  :NH3+    158:sc= -0.0174   (180deg=-0.255)
USER  MOD Single : A  70 THR OG1 :   rot   32:sc=    1.21
USER  MOD Single : A  74 LYS NZ  :NH3+    147:sc= -0.0828   (180deg=-0.513)
USER  MOD Single : A  76 HIS     :     no HD1:sc=  -0.469  K(o=-0.47,f=-1.3)
USER  MOD Single : A  78 THR OG1 :   rot  180:sc=   -2.08
USER  MOD Single : A  81 LYS NZ  :NH3+   -115:sc=   0.131   (180deg=-0.278)
USER  MOD Single : A  82 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  85 GLN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A  89 LYS NZ  :NH3+    156:sc=  -0.984   (180deg=-1.71)
USER  MOD Single : A  91 GLN     :FLIP  amide:sc=   -2.56! C(o=-6.8!,f=-2.6!)
USER  MOD Single : A  93 THR OG1 :   rot  180:sc=  -0.433
USER  MOD -----------------------------------------------------------------
ATOM    234  N   TRP A  18       9.992   0.387   2.544  1.00  0.00           N
ATOM    235  CA  TRP A  18       9.179   0.373   3.797  1.00  0.00           C
ATOM    236  C   TRP A  18       7.972  -0.552   3.621  1.00  0.00           C
ATOM    237  O   TRP A  18       7.914  -1.339   2.697  1.00  0.00           O
ATOM    238  CB  TRP A  18       8.702   1.804   4.103  1.00  0.00           C
ATOM    239  CG  TRP A  18       8.404   2.544   2.829  1.00  0.00           C
ATOM    240  CD1 TRP A  18       9.139   3.575   2.351  1.00  0.00           C
ATOM    241  CD2 TRP A  18       7.315   2.347   1.872  1.00  0.00           C
ATOM    242  NE1 TRP A  18       8.574   4.021   1.168  1.00  0.00           N
ATOM    243  CE2 TRP A  18       7.454   3.302   0.837  1.00  0.00           C
ATOM    244  CE3 TRP A  18       6.233   1.449   1.791  1.00  0.00           C
ATOM    245  CZ2 TRP A  18       6.559   3.368  -0.223  1.00  0.00           C
ATOM    246  CZ3 TRP A  18       5.339   1.514   0.714  1.00  0.00           C
ATOM    247  CH2 TRP A  18       5.501   2.471  -0.283  1.00  0.00           C
ATOM      0  HA  TRP A  18       9.786   0.006   4.624  1.00  0.00           H   new
ATOM      0  HB2 TRP A  18       7.810   1.770   4.728  1.00  0.00           H   new
ATOM      0  HB3 TRP A  18       9.467   2.336   4.669  1.00  0.00           H   new
ATOM      0  HD1 TRP A  18      10.023   3.984   2.817  1.00  0.00           H   new
ATOM      0  HE1 TRP A  18       8.945   4.790   0.611  1.00  0.00           H   new
ATOM      0  HE3 TRP A  18       6.092   0.707   2.563  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  18       6.685   4.112  -0.995  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  18       4.517   0.815   0.657  1.00  0.00           H   new
ATOM      0  HH2 TRP A  18       4.802   2.516  -1.105  1.00  0.00           H   new
ATOM    258  N   GLU A  19       6.983  -0.435   4.487  1.00  0.00           N
ATOM    259  CA  GLU A  19       5.759  -1.258   4.372  1.00  0.00           C
ATOM    260  C   GLU A  19       4.563  -0.324   4.429  1.00  0.00           C
ATOM    261  O   GLU A  19       4.694   0.879   4.500  1.00  0.00           O
ATOM    262  CB  GLU A  19       5.661  -2.279   5.511  1.00  0.00           C
ATOM    263  CG  GLU A  19       5.562  -1.570   6.867  1.00  0.00           C
ATOM    264  CD  GLU A  19       6.813  -0.723   7.108  1.00  0.00           C
ATOM    265  OE1 GLU A  19       7.895  -1.205   6.817  1.00  0.00           O
ATOM    266  OE2 GLU A  19       6.668   0.393   7.578  1.00  0.00           O
ATOM      0  H   GLU A  19       6.987   0.211   5.276  1.00  0.00           H   new
ATOM      0  HA  GLU A  19       5.785  -1.811   3.433  1.00  0.00           H   new
ATOM      0  HB2 GLU A  19       4.788  -2.914   5.363  1.00  0.00           H   new
ATOM      0  HB3 GLU A  19       6.535  -2.930   5.498  1.00  0.00           H   new
ATOM      0  HG2 GLU A  19       4.675  -0.938   6.892  1.00  0.00           H   new
ATOM      0  HG3 GLU A  19       5.452  -2.305   7.664  1.00  0.00           H   new
ATOM    273  N   LEU A  20       3.412  -0.896   4.390  1.00  0.00           N
ATOM    274  CA  LEU A  20       2.134  -0.121   4.405  1.00  0.00           C
ATOM    275  C   LEU A  20       1.094  -0.878   5.231  1.00  0.00           C
ATOM    276  O   LEU A  20       1.156  -2.074   5.353  1.00  0.00           O
ATOM    277  CB  LEU A  20       1.624   0.027   2.956  1.00  0.00           C
ATOM    278  CG  LEU A  20       1.525   1.510   2.537  1.00  0.00           C
ATOM    279  CD1 LEU A  20       0.468   2.240   3.382  1.00  0.00           C
ATOM    280  CD2 LEU A  20       2.887   2.206   2.695  1.00  0.00           C
ATOM      0  H   LEU A  20       3.285  -1.907   4.347  1.00  0.00           H   new
ATOM      0  HA  LEU A  20       2.301   0.863   4.843  1.00  0.00           H   new
ATOM      0  HB2 LEU A  20       2.296  -0.499   2.278  1.00  0.00           H   new
ATOM      0  HB3 LEU A  20       0.645  -0.444   2.864  1.00  0.00           H   new
ATOM      0  HG  LEU A  20       1.227   1.547   1.489  1.00  0.00           H   new
ATOM      0 HD11 LEU A  20       0.412   3.284   3.073  1.00  0.00           H   new
ATOM      0 HD12 LEU A  20      -0.503   1.767   3.238  1.00  0.00           H   new
ATOM      0 HD13 LEU A  20       0.745   2.188   4.435  1.00  0.00           H   new
ATOM      0 HD21 LEU A  20       2.799   3.250   2.395  1.00  0.00           H   new
ATOM      0 HD22 LEU A  20       3.204   2.153   3.737  1.00  0.00           H   new
ATOM      0 HD23 LEU A  20       3.625   1.709   2.065  1.00  0.00           H   new
ATOM    292  N   SER A  21       0.141  -0.176   5.785  1.00  0.00           N
ATOM    293  CA  SER A  21      -0.928  -0.823   6.599  1.00  0.00           C
ATOM    294  C   SER A  21      -2.295  -0.535   5.982  1.00  0.00           C
ATOM    295  O   SER A  21      -2.643   0.590   5.653  1.00  0.00           O
ATOM    296  CB  SER A  21      -0.876  -0.280   8.026  1.00  0.00           C
ATOM    297  OG  SER A  21      -0.540   1.099   7.990  1.00  0.00           O
ATOM      0  H   SER A  21       0.058   0.837   5.706  1.00  0.00           H   new
ATOM      0  HA  SER A  21      -0.769  -1.901   6.616  1.00  0.00           H   new
ATOM      0  HB2 SER A  21      -1.840  -0.419   8.516  1.00  0.00           H   new
ATOM      0  HB3 SER A  21      -0.139  -0.831   8.611  1.00  0.00           H   new
ATOM      0  HG  SER A  21       0.079   1.304   8.721  1.00  0.00           H   new
ATOM    303  N   VAL A  22      -3.074  -1.565   5.840  1.00  0.00           N
ATOM    304  CA  VAL A  22      -4.442  -1.436   5.267  1.00  0.00           C
ATOM    305  C   VAL A  22      -5.467  -1.765   6.357  1.00  0.00           C
ATOM    306  O   VAL A  22      -5.183  -2.388   7.361  1.00  0.00           O
ATOM    307  CB  VAL A  22      -4.592  -2.352   4.018  1.00  0.00           C
ATOM    308  CG1 VAL A  22      -6.020  -2.916   3.895  1.00  0.00           C
ATOM    309  CG2 VAL A  22      -4.282  -1.533   2.756  1.00  0.00           C
ATOM      0  H   VAL A  22      -2.815  -2.516   6.103  1.00  0.00           H   new
ATOM      0  HA  VAL A  22      -4.618  -0.415   4.930  1.00  0.00           H   new
ATOM      0  HB  VAL A  22      -3.898  -3.186   4.127  1.00  0.00           H   new
ATOM      0 HG11 VAL A  22      -6.086  -3.551   3.011  1.00  0.00           H   new
ATOM      0 HG12 VAL A  22      -6.257  -3.504   4.782  1.00  0.00           H   new
ATOM      0 HG13 VAL A  22      -6.730  -2.093   3.805  1.00  0.00           H   new
ATOM      0 HG21 VAL A  22      -4.385  -2.168   1.876  1.00  0.00           H   new
ATOM      0 HG22 VAL A  22      -4.978  -0.698   2.684  1.00  0.00           H   new
ATOM      0 HG23 VAL A  22      -3.262  -1.152   2.811  1.00  0.00           H   new
ATOM    319  N   HIS A  23      -6.642  -1.284   6.145  1.00  0.00           N
ATOM    320  CA  HIS A  23      -7.776  -1.444   7.109  1.00  0.00           C
ATOM    321  C   HIS A  23      -9.084  -1.729   6.349  1.00  0.00           C
ATOM    322  O   HIS A  23      -9.507  -0.973   5.498  1.00  0.00           O
ATOM    323  CB  HIS A  23      -7.933  -0.116   7.893  1.00  0.00           C
ATOM    324  CG  HIS A  23      -7.975  -0.370   9.382  1.00  0.00           C
ATOM    325  ND1 HIS A  23      -9.072  -0.946  10.004  1.00  0.00           N
ATOM    326  CD2 HIS A  23      -7.063  -0.128  10.379  1.00  0.00           C
ATOM    327  CE1 HIS A  23      -8.795  -1.030  11.319  1.00  0.00           C
ATOM    328  NE2 HIS A  23      -7.582  -0.545  11.601  1.00  0.00           N
ATOM      0  H   HIS A  23      -6.888  -0.759   5.306  1.00  0.00           H   new
ATOM      0  HA  HIS A  23      -7.570  -2.275   7.784  1.00  0.00           H   new
ATOM      0  HB2 HIS A  23      -7.103   0.550   7.657  1.00  0.00           H   new
ATOM      0  HB3 HIS A  23      -8.847   0.390   7.580  1.00  0.00           H   new
ATOM      0  HD2 HIS A  23      -6.090   0.318  10.237  1.00  0.00           H   new
ATOM      0  HE1 HIS A  23      -9.470  -1.439  12.056  1.00  0.00           H   new
ATOM      0  HE2 HIS A  23      -7.133  -0.492  12.515  1.00  0.00           H   new
ATOM    336  N   VAL A  24      -9.753  -2.790   6.669  1.00  0.00           N
ATOM    337  CA  VAL A  24     -11.042  -3.086   5.981  1.00  0.00           C
ATOM    338  C   VAL A  24     -12.193  -2.465   6.772  1.00  0.00           C
ATOM    339  O   VAL A  24     -12.470  -2.835   7.895  1.00  0.00           O
ATOM    340  CB  VAL A  24     -11.212  -4.606   5.827  1.00  0.00           C
ATOM    341  CG1 VAL A  24     -12.063  -4.916   4.588  1.00  0.00           C
ATOM    342  CG2 VAL A  24      -9.832  -5.257   5.663  1.00  0.00           C
ATOM      0  H   VAL A  24      -9.469  -3.469   7.376  1.00  0.00           H   new
ATOM      0  HA  VAL A  24     -11.043  -2.650   4.982  1.00  0.00           H   new
ATOM      0  HB  VAL A  24     -11.708  -5.001   6.714  1.00  0.00           H   new
ATOM      0 HG11 VAL A  24     -12.178  -5.995   4.487  1.00  0.00           H   new
ATOM      0 HG12 VAL A  24     -13.045  -4.455   4.696  1.00  0.00           H   new
ATOM      0 HG13 VAL A  24     -11.571  -4.519   3.700  1.00  0.00           H   new
ATOM      0 HG21 VAL A  24      -9.949  -6.335   5.554  1.00  0.00           H   new
ATOM      0 HG22 VAL A  24      -9.342  -4.853   4.777  1.00  0.00           H   new
ATOM      0 HG23 VAL A  24      -9.223  -5.046   6.542  1.00  0.00           H   new
ATOM    352  N   THR A  25     -12.840  -1.487   6.186  1.00  0.00           N
ATOM    353  CA  THR A  25     -13.954  -0.786   6.888  1.00  0.00           C
ATOM    354  C   THR A  25     -15.268  -1.571   6.788  1.00  0.00           C
ATOM    355  O   THR A  25     -15.802  -2.028   7.779  1.00  0.00           O
ATOM    356  CB  THR A  25     -14.143   0.594   6.254  1.00  0.00           C
ATOM    357  OG1 THR A  25     -14.152   0.465   4.840  1.00  0.00           O
ATOM    358  CG2 THR A  25     -12.998   1.515   6.677  1.00  0.00           C
ATOM      0  H   THR A  25     -12.641  -1.144   5.246  1.00  0.00           H   new
ATOM      0  HA  THR A  25     -13.695  -0.697   7.943  1.00  0.00           H   new
ATOM      0  HB  THR A  25     -15.089   1.020   6.587  1.00  0.00           H   new
ATOM      0  HG1 THR A  25     -14.432   1.313   4.436  1.00  0.00           H   new
ATOM      0 HG21 THR A  25     -13.135   2.497   6.224  1.00  0.00           H   new
ATOM      0 HG22 THR A  25     -12.992   1.613   7.763  1.00  0.00           H   new
ATOM      0 HG23 THR A  25     -12.050   1.092   6.346  1.00  0.00           H   new
ATOM    366  N   ASP A  26     -15.812  -1.708   5.608  1.00  0.00           N
ATOM    367  CA  ASP A  26     -17.110  -2.435   5.461  1.00  0.00           C
ATOM    368  C   ASP A  26     -16.970  -3.902   5.889  1.00  0.00           C
ATOM    369  O   ASP A  26     -17.813  -4.722   5.583  1.00  0.00           O
ATOM    370  CB  ASP A  26     -17.562  -2.374   3.997  1.00  0.00           C
ATOM    371  CG  ASP A  26     -19.059  -2.686   3.904  1.00  0.00           C
ATOM    372  OD1 ASP A  26     -19.816  -2.091   4.653  1.00  0.00           O
ATOM    373  OD2 ASP A  26     -19.421  -3.515   3.085  1.00  0.00           O
ATOM      0  H   ASP A  26     -15.415  -1.349   4.740  1.00  0.00           H   new
ATOM      0  HA  ASP A  26     -17.849  -1.957   6.103  1.00  0.00           H   new
ATOM      0  HB2 ASP A  26     -17.361  -1.385   3.585  1.00  0.00           H   new
ATOM      0  HB3 ASP A  26     -16.994  -3.089   3.401  1.00  0.00           H   new
ATOM    378  N   VAL A  27     -15.921  -4.246   6.594  1.00  0.00           N
ATOM    379  CA  VAL A  27     -15.738  -5.664   7.041  1.00  0.00           C
ATOM    380  C   VAL A  27     -15.191  -5.678   8.475  1.00  0.00           C
ATOM    381  O   VAL A  27     -15.404  -6.617   9.213  1.00  0.00           O
ATOM    382  CB  VAL A  27     -14.766  -6.376   6.104  1.00  0.00           C
ATOM    383  CG1 VAL A  27     -14.809  -7.881   6.378  1.00  0.00           C
ATOM    384  CG2 VAL A  27     -15.167  -6.119   4.647  1.00  0.00           C
ATOM      0  H   VAL A  27     -15.181  -3.605   6.881  1.00  0.00           H   new
ATOM      0  HA  VAL A  27     -16.697  -6.182   7.017  1.00  0.00           H   new
ATOM      0  HB  VAL A  27     -13.759  -5.996   6.275  1.00  0.00           H   new
ATOM      0 HG11 VAL A  27     -14.116  -8.392   5.710  1.00  0.00           H   new
ATOM      0 HG12 VAL A  27     -14.523  -8.071   7.413  1.00  0.00           H   new
ATOM      0 HG13 VAL A  27     -15.819  -8.253   6.207  1.00  0.00           H   new
ATOM      0 HG21 VAL A  27     -14.470  -6.629   3.982  1.00  0.00           H   new
ATOM      0 HG22 VAL A  27     -16.175  -6.497   4.475  1.00  0.00           H   new
ATOM      0 HG23 VAL A  27     -15.142  -5.048   4.446  1.00  0.00           H   new
ATOM    394  N   ASN A  28     -14.531  -4.618   8.883  1.00  0.00           N
ATOM    395  CA  ASN A  28     -14.010  -4.508  10.280  1.00  0.00           C
ATOM    396  C   ASN A  28     -12.745  -5.342  10.512  1.00  0.00           C
ATOM    397  O   ASN A  28     -12.358  -5.582  11.639  1.00  0.00           O
ATOM    398  CB  ASN A  28     -15.117  -4.952  11.222  1.00  0.00           C
ATOM    399  CG  ASN A  28     -15.020  -4.213  12.562  1.00  0.00           C
ATOM    400  OD1 ASN A  28     -14.885  -3.006  12.596  1.00  0.00           O
ATOM    401  ND2 ASN A  28     -15.080  -4.894  13.674  1.00  0.00           N
ATOM      0  H   ASN A  28     -14.329  -3.811   8.293  1.00  0.00           H   new
ATOM      0  HA  ASN A  28     -13.724  -3.473  10.466  1.00  0.00           H   new
ATOM      0  HB2 ASN A  28     -16.088  -4.760  10.765  1.00  0.00           H   new
ATOM      0  HB3 ASN A  28     -15.050  -6.027  11.389  1.00  0.00           H   new
ATOM      0 HD21 ASN A  28     -15.014  -4.413  14.571  1.00  0.00           H   new
ATOM      0 HD22 ASN A  28     -15.193  -5.907  13.646  1.00  0.00           H   new
ATOM    408  N   ARG A  29     -12.084  -5.745   9.471  1.00  0.00           N
ATOM    409  CA  ARG A  29     -10.806  -6.530   9.628  1.00  0.00           C
ATOM    410  C   ARG A  29      -9.667  -5.613   9.211  1.00  0.00           C
ATOM    411  O   ARG A  29      -9.887  -4.474   8.888  1.00  0.00           O
ATOM    412  CB  ARG A  29     -10.802  -7.799   8.742  1.00  0.00           C
ATOM    413  CG  ARG A  29     -12.228  -8.134   8.320  1.00  0.00           C
ATOM    414  CD  ARG A  29     -12.297  -9.579   7.815  1.00  0.00           C
ATOM    415  NE  ARG A  29     -11.568  -9.689   6.520  1.00  0.00           N
ATOM    416  CZ  ARG A  29     -11.208 -10.861   6.070  1.00  0.00           C
ATOM    417  NH1 ARG A  29     -11.475 -11.937   6.760  1.00  0.00           N
ATOM    418  NH2 ARG A  29     -10.578 -10.957   4.931  1.00  0.00           N
ATOM      0  H   ARG A  29     -12.364  -5.570   8.506  1.00  0.00           H   new
ATOM      0  HA  ARG A  29     -10.702  -6.860  10.662  1.00  0.00           H   new
ATOM      0  HB2 ARG A  29     -10.180  -7.638   7.861  1.00  0.00           H   new
ATOM      0  HB3 ARG A  29     -10.368  -8.636   9.290  1.00  0.00           H   new
ATOM      0  HG2 ARG A  29     -12.906  -8.001   9.163  1.00  0.00           H   new
ATOM      0  HG3 ARG A  29     -12.555  -7.450   7.537  1.00  0.00           H   new
ATOM      0  HD2 ARG A  29     -11.858 -10.254   8.550  1.00  0.00           H   new
ATOM      0  HD3 ARG A  29     -13.336  -9.881   7.686  1.00  0.00           H   new
ATOM      0  HE  ARG A  29     -11.350  -8.849   5.985  1.00  0.00           H   new
ATOM      0 HH11 ARG A  29     -11.965 -11.863   7.651  1.00  0.00           H   new
ATOM      0 HH12 ARG A  29     -11.193 -12.852   6.408  1.00  0.00           H   new
ATOM      0 HH21 ARG A  29     -10.367 -10.117   4.393  1.00  0.00           H   new
ATOM      0 HH22 ARG A  29     -10.297 -11.872   4.579  1.00  0.00           H   new
ATOM    432  N   ASP A  30      -8.459  -6.091   9.206  1.00  0.00           N
ATOM    433  CA  ASP A  30      -7.327  -5.223   8.775  1.00  0.00           C
ATOM    434  C   ASP A  30      -6.235  -6.104   8.180  1.00  0.00           C
ATOM    435  O   ASP A  30      -6.002  -7.217   8.606  1.00  0.00           O
ATOM    436  CB  ASP A  30      -6.790  -4.382   9.959  1.00  0.00           C
ATOM    437  CG  ASP A  30      -7.370  -4.897  11.280  1.00  0.00           C
ATOM    438  OD1 ASP A  30      -8.511  -4.578  11.568  1.00  0.00           O
ATOM    439  OD2 ASP A  30      -6.661  -5.601  11.981  1.00  0.00           O
ATOM      0  H   ASP A  30      -8.204  -7.040   9.480  1.00  0.00           H   new
ATOM      0  HA  ASP A  30      -7.673  -4.519   8.018  1.00  0.00           H   new
ATOM      0  HB2 ASP A  30      -5.702  -4.433   9.987  1.00  0.00           H   new
ATOM      0  HB3 ASP A  30      -7.056  -3.334   9.821  1.00  0.00           H   new
ATOM    444  N   VAL A  31      -5.579  -5.599   7.181  1.00  0.00           N
ATOM    445  CA  VAL A  31      -4.506  -6.352   6.499  1.00  0.00           C
ATOM    446  C   VAL A  31      -3.448  -5.326   6.146  1.00  0.00           C
ATOM    447  O   VAL A  31      -3.742  -4.164   6.146  1.00  0.00           O
ATOM    448  CB  VAL A  31      -5.086  -6.998   5.242  1.00  0.00           C
ATOM    449  CG1 VAL A  31      -4.152  -8.103   4.757  1.00  0.00           C
ATOM    450  CG2 VAL A  31      -6.453  -7.598   5.582  1.00  0.00           C
ATOM      0  H   VAL A  31      -5.749  -4.668   6.800  1.00  0.00           H   new
ATOM      0  HA  VAL A  31      -4.083  -7.145   7.116  1.00  0.00           H   new
ATOM      0  HB  VAL A  31      -5.193  -6.249   4.457  1.00  0.00           H   new
ATOM      0 HG11 VAL A  31      -4.567  -8.563   3.860  1.00  0.00           H   new
ATOM      0 HG12 VAL A  31      -3.174  -7.679   4.528  1.00  0.00           H   new
ATOM      0 HG13 VAL A  31      -4.046  -8.858   5.536  1.00  0.00           H   new
ATOM      0 HG21 VAL A  31      -6.878  -8.063   4.692  1.00  0.00           H   new
ATOM      0 HG22 VAL A  31      -6.337  -8.349   6.363  1.00  0.00           H   new
ATOM      0 HG23 VAL A  31      -7.119  -6.810   5.933  1.00  0.00           H   new
ATOM    460  N   THR A  32      -2.225  -5.712   5.889  1.00  0.00           N
ATOM    461  CA  THR A  32      -1.173  -4.696   5.577  1.00  0.00           C
ATOM    462  C   THR A  32      -0.418  -5.083   4.316  1.00  0.00           C
ATOM    463  O   THR A  32      -0.262  -6.243   3.996  1.00  0.00           O
ATOM    464  CB  THR A  32      -0.211  -4.610   6.763  1.00  0.00           C
ATOM    465  OG1 THR A  32       0.436  -5.862   6.939  1.00  0.00           O
ATOM    466  CG2 THR A  32      -0.987  -4.249   8.038  1.00  0.00           C
ATOM      0  H   THR A  32      -1.909  -6.682   5.881  1.00  0.00           H   new
ATOM      0  HA  THR A  32      -1.640  -3.726   5.406  1.00  0.00           H   new
ATOM      0  HB  THR A  32       0.534  -3.839   6.567  1.00  0.00           H   new
ATOM      0  HG1 THR A  32       1.054  -5.807   7.698  1.00  0.00           H   new
ATOM      0 HG21 THR A  32      -0.297  -4.189   8.879  1.00  0.00           H   new
ATOM      0 HG22 THR A  32      -1.480  -3.286   7.904  1.00  0.00           H   new
ATOM      0 HG23 THR A  32      -1.736  -5.015   8.237  1.00  0.00           H   new
ATOM    474  N   LEU A  33       0.053  -4.098   3.595  1.00  0.00           N
ATOM    475  CA  LEU A  33       0.806  -4.366   2.344  1.00  0.00           C
ATOM    476  C   LEU A  33       2.280  -4.196   2.608  1.00  0.00           C
ATOM    477  O   LEU A  33       2.700  -3.300   3.283  1.00  0.00           O
ATOM    478  CB  LEU A  33       0.421  -3.357   1.242  1.00  0.00           C
ATOM    479  CG  LEU A  33      -0.828  -3.807   0.475  1.00  0.00           C
ATOM    480  CD1 LEU A  33      -0.568  -5.133  -0.266  1.00  0.00           C
ATOM    481  CD2 LEU A  33      -2.023  -3.950   1.434  1.00  0.00           C
ATOM      0  H   LEU A  33      -0.056  -3.111   3.827  1.00  0.00           H   new
ATOM      0  HA  LEU A  33       0.569  -5.379   2.019  1.00  0.00           H   new
ATOM      0  HB2 LEU A  33       0.241  -2.380   1.690  1.00  0.00           H   new
ATOM      0  HB3 LEU A  33       1.253  -3.241   0.547  1.00  0.00           H   new
ATOM      0  HG  LEU A  33      -1.067  -3.045  -0.267  1.00  0.00           H   new
ATOM      0 HD11 LEU A  33      -1.468  -5.432  -0.803  1.00  0.00           H   new
ATOM      0 HD12 LEU A  33       0.250  -5.000  -0.974  1.00  0.00           H   new
ATOM      0 HD13 LEU A  33      -0.301  -5.906   0.455  1.00  0.00           H   new
ATOM      0 HD21 LEU A  33      -2.902  -4.270   0.875  1.00  0.00           H   new
ATOM      0 HD22 LEU A  33      -1.790  -4.691   2.198  1.00  0.00           H   new
ATOM      0 HD23 LEU A  33      -2.225  -2.990   1.909  1.00  0.00           H   new
ATOM    493  N   ARG A  34       3.057  -5.021   2.013  1.00  0.00           N
ATOM    494  CA  ARG A  34       4.539  -4.893   2.133  1.00  0.00           C
ATOM    495  C   ARG A  34       5.019  -4.403   0.769  1.00  0.00           C
ATOM    496  O   ARG A  34       5.181  -5.179  -0.150  1.00  0.00           O
ATOM    497  CB  ARG A  34       5.152  -6.265   2.447  1.00  0.00           C
ATOM    498  CG  ARG A  34       6.545  -6.096   3.079  1.00  0.00           C
ATOM    499  CD  ARG A  34       6.420  -5.869   4.592  1.00  0.00           C
ATOM    500  NE  ARG A  34       6.216  -7.182   5.284  1.00  0.00           N
ATOM    501  CZ  ARG A  34       5.023  -7.570   5.677  1.00  0.00           C
ATOM    502  NH1 ARG A  34       3.967  -6.831   5.455  1.00  0.00           N
ATOM    503  NH2 ARG A  34       4.890  -8.712   6.292  1.00  0.00           N
ATOM      0  H   ARG A  34       2.739  -5.798   1.434  1.00  0.00           H   new
ATOM      0  HA  ARG A  34       4.829  -4.210   2.931  1.00  0.00           H   new
ATOM      0  HB2 ARG A  34       4.501  -6.815   3.127  1.00  0.00           H   new
ATOM      0  HB3 ARG A  34       5.229  -6.854   1.533  1.00  0.00           H   new
ATOM      0  HG2 ARG A  34       7.149  -6.982   2.886  1.00  0.00           H   new
ATOM      0  HG3 ARG A  34       7.060  -5.253   2.619  1.00  0.00           H   new
ATOM      0  HD2 ARG A  34       7.318  -5.382   4.972  1.00  0.00           H   new
ATOM      0  HD3 ARG A  34       5.583  -5.202   4.802  1.00  0.00           H   new
ATOM      0  HE  ARG A  34       7.019  -7.787   5.454  1.00  0.00           H   new
ATOM      0 HH11 ARG A  34       4.062  -5.939   4.970  1.00  0.00           H   new
ATOM      0 HH12 ARG A  34       3.049  -7.147   5.767  1.00  0.00           H   new
ATOM      0 HH21 ARG A  34       5.708  -9.297   6.465  1.00  0.00           H   new
ATOM      0 HH22 ARG A  34       3.968  -9.021   6.600  1.00  0.00           H   new
ATOM    517  N   VAL A  35       5.199  -3.117   0.606  1.00  0.00           N
ATOM    518  CA  VAL A  35       5.608  -2.599  -0.736  1.00  0.00           C
ATOM    519  C   VAL A  35       6.421  -1.311  -0.634  1.00  0.00           C
ATOM    520  O   VAL A  35       6.855  -0.902   0.425  1.00  0.00           O
ATOM    521  CB  VAL A  35       4.341  -2.305  -1.547  1.00  0.00           C
ATOM    522  CG1 VAL A  35       3.581  -3.608  -1.810  1.00  0.00           C
ATOM    523  CG2 VAL A  35       3.430  -1.310  -0.777  1.00  0.00           C
ATOM      0  H   VAL A  35       5.083  -2.411   1.333  1.00  0.00           H   new
ATOM      0  HA  VAL A  35       6.231  -3.355  -1.214  1.00  0.00           H   new
ATOM      0  HB  VAL A  35       4.627  -1.856  -2.498  1.00  0.00           H   new
ATOM      0 HG11 VAL A  35       2.681  -3.394  -2.387  1.00  0.00           H   new
ATOM      0 HG12 VAL A  35       4.217  -4.293  -2.370  1.00  0.00           H   new
ATOM      0 HG13 VAL A  35       3.303  -4.065  -0.860  1.00  0.00           H   new
ATOM      0 HG21 VAL A  35       2.533  -1.109  -1.363  1.00  0.00           H   new
ATOM      0 HG22 VAL A  35       3.147  -1.744   0.182  1.00  0.00           H   new
ATOM      0 HG23 VAL A  35       3.970  -0.378  -0.609  1.00  0.00           H   new
ATOM    533  N   THR A  36       6.629  -0.676  -1.765  1.00  0.00           N
ATOM    534  CA  THR A  36       7.414   0.591  -1.815  1.00  0.00           C
ATOM    535  C   THR A  36       6.708   1.597  -2.726  1.00  0.00           C
ATOM    536  O   THR A  36       5.685   1.319  -3.306  1.00  0.00           O
ATOM    537  CB  THR A  36       8.800   0.320  -2.381  1.00  0.00           C
ATOM    538  OG1 THR A  36       8.689  -0.434  -3.578  1.00  0.00           O
ATOM    539  CG2 THR A  36       9.617  -0.461  -1.359  1.00  0.00           C
ATOM      0  H   THR A  36       6.279  -0.992  -2.669  1.00  0.00           H   new
ATOM      0  HA  THR A  36       7.497   0.991  -0.805  1.00  0.00           H   new
ATOM      0  HB  THR A  36       9.295   1.266  -2.599  1.00  0.00           H   new
ATOM      0  HG1 THR A  36       9.583  -0.605  -3.941  1.00  0.00           H   new
ATOM      0 HG21 THR A  36      10.611  -0.657  -1.761  1.00  0.00           H   new
ATOM      0 HG22 THR A  36       9.705   0.121  -0.442  1.00  0.00           H   new
ATOM      0 HG23 THR A  36       9.120  -1.407  -1.142  1.00  0.00           H   new
ATOM    547  N   GLY A  37       7.260   2.763  -2.856  1.00  0.00           N
ATOM    548  CA  GLY A  37       6.651   3.807  -3.726  1.00  0.00           C
ATOM    549  C   GLY A  37       6.592   3.343  -5.166  1.00  0.00           C
ATOM    550  O   GLY A  37       6.443   4.137  -6.073  1.00  0.00           O
ATOM      0  H   GLY A  37       8.122   3.046  -2.390  1.00  0.00           H   new
ATOM      0  HA2 GLY A  37       5.646   4.039  -3.373  1.00  0.00           H   new
ATOM      0  HA3 GLY A  37       7.233   4.726  -3.659  1.00  0.00           H   new
ATOM    554  N   GLU A  38       6.728   2.069  -5.390  1.00  0.00           N
ATOM    555  CA  GLU A  38       6.704   1.541  -6.783  1.00  0.00           C
ATOM    556  C   GLU A  38       5.426   0.739  -7.052  1.00  0.00           C
ATOM    557  O   GLU A  38       5.086   0.476  -8.188  1.00  0.00           O
ATOM    558  CB  GLU A  38       7.920   0.627  -6.948  1.00  0.00           C
ATOM    559  CG  GLU A  38       7.695  -0.694  -6.186  1.00  0.00           C
ATOM    560  CD  GLU A  38       6.943  -1.690  -7.074  1.00  0.00           C
ATOM    561  OE1 GLU A  38       7.403  -1.936  -8.177  1.00  0.00           O
ATOM    562  OE2 GLU A  38       5.918  -2.188  -6.637  1.00  0.00           O
ATOM      0  H   GLU A  38       6.856   1.364  -4.664  1.00  0.00           H   new
ATOM      0  HA  GLU A  38       6.729   2.371  -7.489  1.00  0.00           H   new
ATOM      0  HB2 GLU A  38       8.090   0.422  -8.005  1.00  0.00           H   new
ATOM      0  HB3 GLU A  38       8.813   1.125  -6.572  1.00  0.00           H   new
ATOM      0  HG2 GLU A  38       8.653  -1.116  -5.883  1.00  0.00           H   new
ATOM      0  HG3 GLU A  38       7.127  -0.506  -5.275  1.00  0.00           H   new
ATOM    569  N   VAL A  39       4.727   0.324  -6.035  1.00  0.00           N
ATOM    570  CA  VAL A  39       3.497  -0.483  -6.283  1.00  0.00           C
ATOM    571  C   VAL A  39       2.369   0.421  -6.781  1.00  0.00           C
ATOM    572  O   VAL A  39       2.042   1.427  -6.202  1.00  0.00           O
ATOM    573  CB  VAL A  39       3.082  -1.230  -5.011  1.00  0.00           C
ATOM    574  CG1 VAL A  39       2.857  -0.258  -3.851  1.00  0.00           C
ATOM    575  CG2 VAL A  39       1.802  -2.022  -5.280  1.00  0.00           C
ATOM      0  H   VAL A  39       4.947   0.504  -5.055  1.00  0.00           H   new
ATOM      0  HA  VAL A  39       3.709  -1.224  -7.054  1.00  0.00           H   new
ATOM      0  HB  VAL A  39       3.886  -1.911  -4.732  1.00  0.00           H   new
ATOM      0 HG11 VAL A  39       2.563  -0.815  -2.961  1.00  0.00           H   new
ATOM      0 HG12 VAL A  39       3.779   0.288  -3.650  1.00  0.00           H   new
ATOM      0 HG13 VAL A  39       2.068   0.447  -4.115  1.00  0.00           H   new
ATOM      0 HG21 VAL A  39       1.506  -2.554  -4.376  1.00  0.00           H   new
ATOM      0 HG22 VAL A  39       1.006  -1.338  -5.576  1.00  0.00           H   new
ATOM      0 HG23 VAL A  39       1.980  -2.740  -6.081  1.00  0.00           H   new
ATOM    585  N   HIS A  40       1.770   0.057  -7.861  1.00  0.00           N
ATOM    586  CA  HIS A  40       0.671   0.884  -8.414  1.00  0.00           C
ATOM    587  C   HIS A  40      -0.522   0.817  -7.476  1.00  0.00           C
ATOM    588  O   HIS A  40      -0.757  -0.189  -6.842  1.00  0.00           O
ATOM    589  CB  HIS A  40       0.261   0.315  -9.774  1.00  0.00           C
ATOM    590  CG  HIS A  40       1.230   0.764 -10.833  1.00  0.00           C
ATOM    591  ND1 HIS A  40       1.737   2.000 -11.148  1.00  0.00           N   flip
ATOM    592  CD2 HIS A  40       1.803  -0.121 -11.732  1.00  0.00           C   flip
ATOM    593  CE1 HIS A  40       2.612   1.887 -12.225  1.00  0.00           C   flip
ATOM    594  NE2 HIS A  40       2.615   0.588 -12.537  1.00  0.00           N   flip
ATOM      0  H   HIS A  40       1.991  -0.784  -8.394  1.00  0.00           H   new
ATOM      0  HA  HIS A  40       1.002   1.917  -8.522  1.00  0.00           H   new
ATOM      0  HB2 HIS A  40       0.237  -0.774  -9.730  1.00  0.00           H   new
ATOM      0  HB3 HIS A  40      -0.746   0.646 -10.027  1.00  0.00           H   new
ATOM      0  HD2 HIS A  40       1.629  -1.186 -11.778  1.00  0.00           H   new
ATOM      0  HE1 HIS A  40       3.168   2.679 -12.705  1.00  0.00           H   new
ATOM      0  HE2 HIS A  40       3.166   0.183 -13.294  1.00  0.00           H   new
ATOM    602  N   ILE A  41      -1.311   1.855  -7.403  1.00  0.00           N
ATOM    603  CA  ILE A  41      -2.504   1.774  -6.530  1.00  0.00           C
ATOM    604  C   ILE A  41      -3.284   0.553  -6.979  1.00  0.00           C
ATOM    605  O   ILE A  41      -3.604  -0.330  -6.208  1.00  0.00           O
ATOM    606  CB  ILE A  41      -3.373   3.007  -6.700  1.00  0.00           C
ATOM    607  CG1 ILE A  41      -2.504   4.260  -6.568  1.00  0.00           C
ATOM    608  CG2 ILE A  41      -4.450   3.005  -5.615  1.00  0.00           C
ATOM    609  CD1 ILE A  41      -3.351   5.526  -6.771  1.00  0.00           C
ATOM      0  H   ILE A  41      -1.181   2.736  -7.901  1.00  0.00           H   new
ATOM      0  HA  ILE A  41      -2.209   1.709  -5.483  1.00  0.00           H   new
ATOM      0  HB  ILE A  41      -3.845   3.001  -7.683  1.00  0.00           H   new
ATOM      0 HG12 ILE A  41      -2.035   4.283  -5.584  1.00  0.00           H   new
ATOM      0 HG13 ILE A  41      -1.700   4.231  -7.303  1.00  0.00           H   new
ATOM      0 HG21 ILE A  41      -5.081   3.887  -5.727  1.00  0.00           H   new
ATOM      0 HG22 ILE A  41      -5.061   2.107  -5.710  1.00  0.00           H   new
ATOM      0 HG23 ILE A  41      -3.977   3.020  -4.633  1.00  0.00           H   new
ATOM      0 HD11 ILE A  41      -2.717   6.407  -6.674  1.00  0.00           H   new
ATOM      0 HD12 ILE A  41      -3.799   5.509  -7.765  1.00  0.00           H   new
ATOM      0 HD13 ILE A  41      -4.139   5.561  -6.019  1.00  0.00           H   new
ATOM    621  N   GLY A  42      -3.549   0.490  -8.253  1.00  0.00           N
ATOM    622  CA  GLY A  42      -4.260  -0.682  -8.805  1.00  0.00           C
ATOM    623  C   GLY A  42      -3.384  -1.910  -8.572  1.00  0.00           C
ATOM    624  O   GLY A  42      -3.759  -3.018  -8.882  1.00  0.00           O
ATOM      0  H   GLY A  42      -3.300   1.207  -8.935  1.00  0.00           H   new
ATOM      0  HA2 GLY A  42      -5.228  -0.805  -8.319  1.00  0.00           H   new
ATOM      0  HA3 GLY A  42      -4.452  -0.546  -9.869  1.00  0.00           H   new
ATOM    628  N   GLY A  43      -2.212  -1.711  -8.005  1.00  0.00           N
ATOM    629  CA  GLY A  43      -1.293  -2.853  -7.721  1.00  0.00           C
ATOM    630  C   GLY A  43      -1.295  -3.079  -6.221  1.00  0.00           C
ATOM    631  O   GLY A  43      -1.145  -4.185  -5.740  1.00  0.00           O
ATOM      0  H   GLY A  43      -1.856  -0.797  -7.727  1.00  0.00           H   new
ATOM      0  HA2 GLY A  43      -1.624  -3.750  -8.244  1.00  0.00           H   new
ATOM      0  HA3 GLY A  43      -0.286  -2.631  -8.074  1.00  0.00           H   new
ATOM    635  N   VAL A  44      -1.502  -2.030  -5.478  1.00  0.00           N
ATOM    636  CA  VAL A  44      -1.560  -2.162  -4.009  1.00  0.00           C
ATOM    637  C   VAL A  44      -2.689  -3.148  -3.707  1.00  0.00           C
ATOM    638  O   VAL A  44      -2.584  -3.998  -2.845  1.00  0.00           O
ATOM    639  CB  VAL A  44      -1.850  -0.762  -3.430  1.00  0.00           C
ATOM    640  CG1 VAL A  44      -2.711  -0.845  -2.169  1.00  0.00           C
ATOM    641  CG2 VAL A  44      -0.538  -0.043  -3.092  1.00  0.00           C
ATOM      0  H   VAL A  44      -1.634  -1.083  -5.833  1.00  0.00           H   new
ATOM      0  HA  VAL A  44      -0.634  -2.530  -3.568  1.00  0.00           H   new
ATOM      0  HB  VAL A  44      -2.395  -0.202  -4.190  1.00  0.00           H   new
ATOM      0 HG11 VAL A  44      -2.896   0.159  -1.788  1.00  0.00           H   new
ATOM      0 HG12 VAL A  44      -3.661  -1.323  -2.408  1.00  0.00           H   new
ATOM      0 HG13 VAL A  44      -2.191  -1.431  -1.411  1.00  0.00           H   new
ATOM      0 HG21 VAL A  44      -0.758   0.944  -2.684  1.00  0.00           H   new
ATOM      0 HG22 VAL A  44       0.016  -0.624  -2.355  1.00  0.00           H   new
ATOM      0 HG23 VAL A  44       0.062   0.064  -3.996  1.00  0.00           H   new
ATOM    651  N   MET A  45      -3.762  -3.042  -4.440  1.00  0.00           N
ATOM    652  CA  MET A  45      -4.903  -3.970  -4.241  1.00  0.00           C
ATOM    653  C   MET A  45      -4.461  -5.380  -4.632  1.00  0.00           C
ATOM    654  O   MET A  45      -4.688  -6.321  -3.922  1.00  0.00           O
ATOM    655  CB  MET A  45      -6.113  -3.523  -5.104  1.00  0.00           C
ATOM    656  CG  MET A  45      -5.803  -2.219  -5.845  1.00  0.00           C
ATOM    657  SD  MET A  45      -7.251  -1.740  -6.829  1.00  0.00           S
ATOM    658  CE  MET A  45      -7.452  -0.057  -6.193  1.00  0.00           C
ATOM      0  H   MET A  45      -3.896  -2.346  -5.173  1.00  0.00           H   new
ATOM      0  HA  MET A  45      -5.211  -3.960  -3.195  1.00  0.00           H   new
ATOM      0  HB2 MET A  45      -6.361  -4.304  -5.823  1.00  0.00           H   new
ATOM      0  HB3 MET A  45      -6.988  -3.386  -4.468  1.00  0.00           H   new
ATOM      0  HG2 MET A  45      -5.554  -1.432  -5.133  1.00  0.00           H   new
ATOM      0  HG3 MET A  45      -4.935  -2.350  -6.491  1.00  0.00           H   new
ATOM      0  HE1 MET A  45      -7.869   0.579  -6.973  1.00  0.00           H   new
ATOM      0  HE2 MET A  45      -8.126  -0.070  -5.336  1.00  0.00           H   new
ATOM      0  HE3 MET A  45      -6.482   0.334  -5.886  1.00  0.00           H   new
ATOM    668  N   LEU A  46      -3.827  -5.533  -5.750  1.00  0.00           N
ATOM    669  CA  LEU A  46      -3.381  -6.891  -6.158  1.00  0.00           C
ATOM    670  C   LEU A  46      -2.404  -7.408  -5.130  1.00  0.00           C
ATOM    671  O   LEU A  46      -2.609  -8.443  -4.538  1.00  0.00           O
ATOM    672  CB  LEU A  46      -2.704  -6.834  -7.525  1.00  0.00           C
ATOM    673  CG  LEU A  46      -3.615  -6.102  -8.512  1.00  0.00           C
ATOM    674  CD1 LEU A  46      -2.878  -5.903  -9.840  1.00  0.00           C
ATOM    675  CD2 LEU A  46      -4.894  -6.920  -8.750  1.00  0.00           C
ATOM      0  H   LEU A  46      -3.596  -4.782  -6.401  1.00  0.00           H   new
ATOM      0  HA  LEU A  46      -4.243  -7.555  -6.223  1.00  0.00           H   new
ATOM      0  HB2 LEU A  46      -1.746  -6.320  -7.448  1.00  0.00           H   new
ATOM      0  HB3 LEU A  46      -2.497  -7.842  -7.883  1.00  0.00           H   new
ATOM      0  HG  LEU A  46      -3.884  -5.131  -8.097  1.00  0.00           H   new
ATOM      0 HD11 LEU A  46      -3.528  -5.381 -10.542  1.00  0.00           H   new
ATOM      0 HD12 LEU A  46      -1.978  -5.312  -9.671  1.00  0.00           H   new
ATOM      0 HD13 LEU A  46      -2.603  -6.874 -10.253  1.00  0.00           H   new
ATOM      0 HD21 LEU A  46      -5.538  -6.392  -9.454  1.00  0.00           H   new
ATOM      0 HD22 LEU A  46      -4.631  -7.895  -9.160  1.00  0.00           H   new
ATOM      0 HD23 LEU A  46      -5.422  -7.053  -7.806  1.00  0.00           H   new
ATOM    687  N   LYS A  47      -1.347  -6.694  -4.892  1.00  0.00           N
ATOM    688  CA  LYS A  47      -0.375  -7.156  -3.880  1.00  0.00           C
ATOM    689  C   LYS A  47      -1.143  -7.538  -2.615  1.00  0.00           C
ATOM    690  O   LYS A  47      -0.747  -8.407  -1.863  1.00  0.00           O
ATOM    691  CB  LYS A  47       0.622  -6.035  -3.588  1.00  0.00           C
ATOM    692  CG  LYS A  47       1.810  -6.604  -2.805  1.00  0.00           C
ATOM    693  CD  LYS A  47       2.850  -7.205  -3.780  1.00  0.00           C
ATOM    694  CE  LYS A  47       3.809  -6.112  -4.298  1.00  0.00           C
ATOM    695  NZ  LYS A  47       5.091  -6.182  -3.541  1.00  0.00           N
ATOM      0  H   LYS A  47      -1.116  -5.814  -5.354  1.00  0.00           H   new
ATOM      0  HA  LYS A  47       0.178  -8.022  -4.243  1.00  0.00           H   new
ATOM      0  HB2 LYS A  47       0.967  -5.588  -4.520  1.00  0.00           H   new
ATOM      0  HB3 LYS A  47       0.139  -5.244  -3.014  1.00  0.00           H   new
ATOM      0  HG2 LYS A  47       2.272  -5.818  -2.207  1.00  0.00           H   new
ATOM      0  HG3 LYS A  47       1.465  -7.371  -2.111  1.00  0.00           H   new
ATOM      0  HD2 LYS A  47       3.419  -7.986  -3.276  1.00  0.00           H   new
ATOM      0  HD3 LYS A  47       2.339  -7.675  -4.620  1.00  0.00           H   new
ATOM      0  HE2 LYS A  47       3.994  -6.250  -5.363  1.00  0.00           H   new
ATOM      0  HE3 LYS A  47       3.356  -5.128  -4.178  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  47       5.627  -5.303  -3.685  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  47       4.890  -6.303  -2.528  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  47       5.652  -6.989  -3.882  1.00  0.00           H   new
ATOM    709  N   LEU A  48      -2.263  -6.906  -2.405  1.00  0.00           N
ATOM    710  CA  LEU A  48      -3.106  -7.230  -1.224  1.00  0.00           C
ATOM    711  C   LEU A  48      -4.011  -8.416  -1.572  1.00  0.00           C
ATOM    712  O   LEU A  48      -3.999  -9.433  -0.909  1.00  0.00           O
ATOM    713  CB  LEU A  48      -3.941  -6.000  -0.864  1.00  0.00           C
ATOM    714  CG  LEU A  48      -5.086  -6.364   0.081  1.00  0.00           C
ATOM    715  CD1 LEU A  48      -4.552  -7.168   1.271  1.00  0.00           C
ATOM    716  CD2 LEU A  48      -5.726  -5.072   0.588  1.00  0.00           C
ATOM      0  H   LEU A  48      -2.633  -6.171  -3.008  1.00  0.00           H   new
ATOM      0  HA  LEU A  48      -2.486  -7.500  -0.369  1.00  0.00           H   new
ATOM      0  HB2 LEU A  48      -3.304  -5.250  -0.395  1.00  0.00           H   new
ATOM      0  HB3 LEU A  48      -4.344  -5.553  -1.773  1.00  0.00           H   new
ATOM      0  HG  LEU A  48      -5.821  -6.969  -0.450  1.00  0.00           H   new
ATOM      0 HD11 LEU A  48      -5.376  -7.422   1.938  1.00  0.00           H   new
ATOM      0 HD12 LEU A  48      -4.082  -8.083   0.910  1.00  0.00           H   new
ATOM      0 HD13 LEU A  48      -3.818  -6.572   1.813  1.00  0.00           H   new
ATOM      0 HD21 LEU A  48      -6.546  -5.313   1.264  1.00  0.00           H   new
ATOM      0 HD22 LEU A  48      -4.980  -4.480   1.119  1.00  0.00           H   new
ATOM      0 HD23 LEU A  48      -6.109  -4.500  -0.257  1.00  0.00           H   new
ATOM    728  N   VAL A  49      -4.781  -8.315  -2.622  1.00  0.00           N
ATOM    729  CA  VAL A  49      -5.654  -9.460  -2.995  1.00  0.00           C
ATOM    730  C   VAL A  49      -4.755 -10.676  -3.141  1.00  0.00           C
ATOM    731  O   VAL A  49      -5.074 -11.764  -2.705  1.00  0.00           O
ATOM    732  CB  VAL A  49      -6.368  -9.167  -4.317  1.00  0.00           C
ATOM    733  CG1 VAL A  49      -7.252 -10.361  -4.694  1.00  0.00           C
ATOM    734  CG2 VAL A  49      -7.235  -7.901  -4.172  1.00  0.00           C
ATOM      0  H   VAL A  49      -4.842  -7.498  -3.230  1.00  0.00           H   new
ATOM      0  HA  VAL A  49      -6.417  -9.632  -2.236  1.00  0.00           H   new
ATOM      0  HB  VAL A  49      -5.628  -9.003  -5.100  1.00  0.00           H   new
ATOM      0 HG11 VAL A  49      -7.761 -10.154  -5.635  1.00  0.00           H   new
ATOM      0 HG12 VAL A  49      -6.633 -11.251  -4.805  1.00  0.00           H   new
ATOM      0 HG13 VAL A  49      -7.991 -10.528  -3.911  1.00  0.00           H   new
ATOM      0 HG21 VAL A  49      -7.741  -7.697  -5.115  1.00  0.00           H   new
ATOM      0 HG22 VAL A  49      -7.977  -8.056  -3.388  1.00  0.00           H   new
ATOM      0 HG23 VAL A  49      -6.601  -7.054  -3.909  1.00  0.00           H   new
ATOM    744  N   GLU A  50      -3.608 -10.480  -3.726  1.00  0.00           N
ATOM    745  CA  GLU A  50      -2.655 -11.600  -3.873  1.00  0.00           C
ATOM    746  C   GLU A  50      -2.300 -12.113  -2.479  1.00  0.00           C
ATOM    747  O   GLU A  50      -2.287 -13.303  -2.231  1.00  0.00           O
ATOM    748  CB  GLU A  50      -1.399 -11.107  -4.583  1.00  0.00           C
ATOM    749  CG  GLU A  50      -1.742 -10.825  -6.043  1.00  0.00           C
ATOM    750  CD  GLU A  50      -0.541 -10.182  -6.739  1.00  0.00           C
ATOM    751  OE1 GLU A  50       0.372 -10.910  -7.093  1.00  0.00           O
ATOM    752  OE2 GLU A  50      -0.554  -8.974  -6.905  1.00  0.00           O
ATOM      0  H   GLU A  50      -3.293  -9.588  -4.108  1.00  0.00           H   new
ATOM      0  HA  GLU A  50      -3.098 -12.403  -4.462  1.00  0.00           H   new
ATOM      0  HB2 GLU A  50      -1.023 -10.204  -4.102  1.00  0.00           H   new
ATOM      0  HB3 GLU A  50      -0.609 -11.856  -4.518  1.00  0.00           H   new
ATOM      0  HG2 GLU A  50      -2.014 -11.752  -6.548  1.00  0.00           H   new
ATOM      0  HG3 GLU A  50      -2.606 -10.164  -6.103  1.00  0.00           H   new
ATOM    759  N   LYS A  51      -2.030 -11.225  -1.551  1.00  0.00           N
ATOM    760  CA  LYS A  51      -1.702 -11.681  -0.177  1.00  0.00           C
ATOM    761  C   LYS A  51      -2.875 -12.523   0.342  1.00  0.00           C
ATOM    762  O   LYS A  51      -2.711 -13.672   0.702  1.00  0.00           O
ATOM    763  CB  LYS A  51      -1.474 -10.451   0.722  1.00  0.00           C
ATOM    764  CG  LYS A  51       0.026 -10.120   0.787  1.00  0.00           C
ATOM    765  CD  LYS A  51       0.260  -8.886   1.668  1.00  0.00           C
ATOM    766  CE  LYS A  51      -0.252  -9.141   3.093  1.00  0.00           C
ATOM    767  NZ  LYS A  51      -0.052 -10.573   3.457  1.00  0.00           N
ATOM      0  H   LYS A  51      -2.024 -10.215  -1.691  1.00  0.00           H   new
ATOM      0  HA  LYS A  51      -0.794 -12.285  -0.173  1.00  0.00           H   new
ATOM      0  HB2 LYS A  51      -2.027  -9.597   0.331  1.00  0.00           H   new
ATOM      0  HB3 LYS A  51      -1.856 -10.647   1.724  1.00  0.00           H   new
ATOM      0  HG2 LYS A  51       0.576 -10.971   1.188  1.00  0.00           H   new
ATOM      0  HG3 LYS A  51       0.409  -9.937  -0.217  1.00  0.00           H   new
ATOM      0  HD2 LYS A  51       1.323  -8.646   1.694  1.00  0.00           H   new
ATOM      0  HD3 LYS A  51      -0.251  -8.024   1.240  1.00  0.00           H   new
ATOM      0  HE2 LYS A  51       0.277  -8.500   3.799  1.00  0.00           H   new
ATOM      0  HE3 LYS A  51      -1.309  -8.884   3.160  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  51      -0.057 -10.672   4.492  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  51      -0.820 -11.145   3.051  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  51       0.860 -10.902   3.082  1.00  0.00           H   new
ATOM    931  N   HIS A  61     -13.396  -3.005  -5.673  1.00  0.00           N
ATOM    932  CA  HIS A  61     -13.211  -2.502  -4.289  1.00  0.00           C
ATOM    933  C   HIS A  61     -12.222  -1.342  -4.304  1.00  0.00           C
ATOM    934  O   HIS A  61     -11.728  -0.951  -5.343  1.00  0.00           O
ATOM    935  CB  HIS A  61     -12.737  -3.625  -3.357  1.00  0.00           C
ATOM    936  CG  HIS A  61     -11.264  -3.887  -3.508  1.00  0.00           C
ATOM    937  ND1 HIS A  61     -10.783  -5.067  -4.046  1.00  0.00           N
ATOM    938  CD2 HIS A  61     -10.155  -3.163  -3.145  1.00  0.00           C
ATOM    939  CE1 HIS A  61      -9.442  -5.022  -3.987  1.00  0.00           C
ATOM    940  NE2 HIS A  61      -9.009  -3.883  -3.449  1.00  0.00           N
ATOM      0  HA  HIS A  61     -14.167  -2.146  -3.905  1.00  0.00           H   new
ATOM      0  HB2 HIS A  61     -12.955  -3.357  -2.323  1.00  0.00           H   new
ATOM      0  HB3 HIS A  61     -13.293  -4.537  -3.574  1.00  0.00           H   new
ATOM      0  HD1 HIS A  61     -11.345  -5.832  -4.420  1.00  0.00           H   new
ATOM      0  HD2 HIS A  61     -10.172  -2.183  -2.692  1.00  0.00           H   new
ATOM      0  HE1 HIS A  61      -8.794  -5.813  -4.334  1.00  0.00           H   new
ATOM    948  N   ALA A  62     -11.956  -0.761  -3.171  1.00  0.00           N
ATOM    949  CA  ALA A  62     -11.029   0.404  -3.143  1.00  0.00           C
ATOM    950  C   ALA A  62     -10.394   0.544  -1.771  1.00  0.00           C
ATOM    951  O   ALA A  62     -10.795  -0.096  -0.820  1.00  0.00           O
ATOM    952  CB  ALA A  62     -11.840   1.665  -3.406  1.00  0.00           C
ATOM      0  H   ALA A  62     -12.337  -1.039  -2.267  1.00  0.00           H   new
ATOM      0  HA  ALA A  62     -10.252   0.258  -3.894  1.00  0.00           H   new
ATOM      0  HB1 ALA A  62     -11.180   2.532  -3.390  1.00  0.00           H   new
ATOM      0  HB2 ALA A  62     -12.320   1.592  -4.382  1.00  0.00           H   new
ATOM      0  HB3 ALA A  62     -12.602   1.775  -2.635  1.00  0.00           H   new
ATOM    958  N   LEU A  63      -9.410   1.400  -1.659  1.00  0.00           N
ATOM    959  CA  LEU A  63      -8.752   1.625  -0.353  1.00  0.00           C
ATOM    960  C   LEU A  63      -9.175   2.981   0.193  1.00  0.00           C
ATOM    961  O   LEU A  63      -8.903   4.003  -0.406  1.00  0.00           O
ATOM    962  CB  LEU A  63      -7.234   1.634  -0.532  1.00  0.00           C
ATOM    963  CG  LEU A  63      -6.740   0.351  -1.222  1.00  0.00           C
ATOM    964  CD1 LEU A  63      -7.331  -0.880  -0.529  1.00  0.00           C
ATOM    965  CD2 LEU A  63      -7.109   0.339  -2.725  1.00  0.00           C
ATOM      0  H   LEU A  63      -9.036   1.954  -2.429  1.00  0.00           H   new
ATOM      0  HA  LEU A  63      -9.041   0.828   0.332  1.00  0.00           H   new
ATOM      0  HB2 LEU A  63      -6.941   2.502  -1.123  1.00  0.00           H   new
ATOM      0  HB3 LEU A  63      -6.752   1.734   0.441  1.00  0.00           H   new
ATOM      0  HG  LEU A  63      -5.653   0.325  -1.142  1.00  0.00           H   new
ATOM      0 HD11 LEU A  63      -6.975  -1.783  -1.025  1.00  0.00           H   new
ATOM      0 HD12 LEU A  63      -7.020  -0.894   0.516  1.00  0.00           H   new
ATOM      0 HD13 LEU A  63      -8.419  -0.841  -0.584  1.00  0.00           H   new
ATOM      0 HD21 LEU A  63      -6.745  -0.581  -3.182  1.00  0.00           H   new
ATOM      0 HD22 LEU A  63      -8.192   0.395  -2.834  1.00  0.00           H   new
ATOM      0 HD23 LEU A  63      -6.650   1.195  -3.219  1.00  0.00           H   new
ATOM    977  N   TRP A  64      -9.820   3.026   1.335  1.00  0.00           N
ATOM    978  CA  TRP A  64     -10.208   4.362   1.875  1.00  0.00           C
ATOM    979  C   TRP A  64      -9.001   4.911   2.641  1.00  0.00           C
ATOM    980  O   TRP A  64      -8.423   4.228   3.467  1.00  0.00           O
ATOM    981  CB  TRP A  64     -11.425   4.226   2.824  1.00  0.00           C
ATOM    982  CG  TRP A  64     -12.310   5.433   2.723  1.00  0.00           C
ATOM    983  CD1 TRP A  64     -12.831   5.925   1.576  1.00  0.00           C
ATOM    984  CD2 TRP A  64     -12.784   6.299   3.794  1.00  0.00           C
ATOM    985  NE1 TRP A  64     -13.592   7.041   1.874  1.00  0.00           N
ATOM    986  CE2 TRP A  64     -13.595   7.311   3.229  1.00  0.00           C
ATOM    987  CE3 TRP A  64     -12.590   6.305   5.187  1.00  0.00           C
ATOM    988  CZ2 TRP A  64     -14.193   8.294   4.018  1.00  0.00           C
ATOM    989  CZ3 TRP A  64     -13.191   7.292   5.984  1.00  0.00           C
ATOM    990  CH2 TRP A  64     -13.991   8.285   5.400  1.00  0.00           C
ATOM      0  H   TRP A  64     -10.087   2.220   1.900  1.00  0.00           H   new
ATOM      0  HA  TRP A  64     -10.491   5.035   1.066  1.00  0.00           H   new
ATOM      0  HB2 TRP A  64     -11.992   3.330   2.571  1.00  0.00           H   new
ATOM      0  HB3 TRP A  64     -11.081   4.106   3.851  1.00  0.00           H   new
ATOM      0  HD1 TRP A  64     -12.678   5.514   0.589  1.00  0.00           H   new
ATOM      0  HE1 TRP A  64     -14.090   7.597   1.179  1.00  0.00           H   new
ATOM      0  HE3 TRP A  64     -11.975   5.545   5.646  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  64     -14.808   9.057   3.563  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  64     -13.036   7.287   7.053  1.00  0.00           H   new
ATOM      0  HH2 TRP A  64     -14.450   9.042   6.018  1.00  0.00           H   new
ATOM   1001  N   TRP A  65      -8.598   6.128   2.353  1.00  0.00           N
ATOM   1002  CA  TRP A  65      -7.412   6.715   3.057  1.00  0.00           C
ATOM   1003  C   TRP A  65      -7.904   7.567   4.228  1.00  0.00           C
ATOM   1004  O   TRP A  65      -8.484   8.616   4.040  1.00  0.00           O
ATOM   1005  CB  TRP A  65      -6.630   7.602   2.085  1.00  0.00           C
ATOM   1006  CG  TRP A  65      -5.301   8.009   2.666  1.00  0.00           C
ATOM   1007  CD1 TRP A  65      -4.827   7.678   3.898  1.00  0.00           C
ATOM   1008  CD2 TRP A  65      -4.267   8.835   2.048  1.00  0.00           C
ATOM   1009  NE1 TRP A  65      -3.572   8.238   4.059  1.00  0.00           N
ATOM   1010  CE2 TRP A  65      -3.186   8.961   2.951  1.00  0.00           C
ATOM   1011  CE3 TRP A  65      -4.165   9.479   0.800  1.00  0.00           C
ATOM   1012  CZ2 TRP A  65      -2.045   9.699   2.631  1.00  0.00           C
ATOM   1013  CZ3 TRP A  65      -3.018  10.224   0.476  1.00  0.00           C
ATOM   1014  CH2 TRP A  65      -1.962  10.334   1.390  1.00  0.00           C
ATOM      0  H   TRP A  65      -9.038   6.738   1.663  1.00  0.00           H   new
ATOM      0  HA  TRP A  65      -6.766   5.916   3.421  1.00  0.00           H   new
ATOM      0  HB2 TRP A  65      -6.472   7.068   1.148  1.00  0.00           H   new
ATOM      0  HB3 TRP A  65      -7.215   8.491   1.850  1.00  0.00           H   new
ATOM      0  HD1 TRP A  65      -5.345   7.077   4.630  1.00  0.00           H   new
ATOM      0  HE1 TRP A  65      -3.001   8.129   4.897  1.00  0.00           H   new
ATOM      0  HE3 TRP A  65      -4.973   9.400   0.088  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  65      -1.232   9.778   3.338  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  65      -2.950  10.715  -0.484  1.00  0.00           H   new
ATOM      0  HH2 TRP A  65      -1.084  10.909   1.135  1.00  0.00           H   new
ATOM   1025  N   GLU A  66      -7.688   7.122   5.430  1.00  0.00           N
ATOM   1026  CA  GLU A  66      -8.160   7.900   6.610  1.00  0.00           C
ATOM   1027  C   GLU A  66      -7.584   9.318   6.584  1.00  0.00           C
ATOM   1028  O   GLU A  66      -8.117  10.216   7.204  1.00  0.00           O
ATOM   1029  CB  GLU A  66      -7.721   7.199   7.898  1.00  0.00           C
ATOM   1030  CG  GLU A  66      -6.222   6.900   7.838  1.00  0.00           C
ATOM   1031  CD  GLU A  66      -5.721   6.520   9.233  1.00  0.00           C
ATOM   1032  OE1 GLU A  66      -5.419   7.420   9.999  1.00  0.00           O
ATOM   1033  OE2 GLU A  66      -5.649   5.334   9.512  1.00  0.00           O
ATOM      0  H   GLU A  66      -7.204   6.251   5.650  1.00  0.00           H   new
ATOM      0  HA  GLU A  66      -9.248   7.960   6.574  1.00  0.00           H   new
ATOM      0  HB2 GLU A  66      -7.942   7.829   8.760  1.00  0.00           H   new
ATOM      0  HB3 GLU A  66      -8.281   6.273   8.029  1.00  0.00           H   new
ATOM      0  HG2 GLU A  66      -6.030   6.087   7.137  1.00  0.00           H   new
ATOM      0  HG3 GLU A  66      -5.681   7.772   7.471  1.00  0.00           H   new
ATOM   1040  N   LYS A  67      -6.499   9.536   5.892  1.00  0.00           N
ATOM   1041  CA  LYS A  67      -5.912  10.903   5.867  1.00  0.00           C
ATOM   1042  C   LYS A  67      -6.798  11.867   5.070  1.00  0.00           C
ATOM   1043  O   LYS A  67      -7.176  12.916   5.555  1.00  0.00           O
ATOM   1044  CB  LYS A  67      -4.556  10.832   5.198  1.00  0.00           C
ATOM   1045  CG  LYS A  67      -3.821  12.146   5.432  1.00  0.00           C
ATOM   1046  CD  LYS A  67      -2.602  12.210   4.525  1.00  0.00           C
ATOM   1047  CE  LYS A  67      -1.995  13.611   4.582  1.00  0.00           C
ATOM   1048  NZ  LYS A  67      -0.621  13.581   4.004  1.00  0.00           N
ATOM      0  H   LYS A  67      -5.999   8.833   5.348  1.00  0.00           H   new
ATOM      0  HA  LYS A  67      -5.829  11.268   6.891  1.00  0.00           H   new
ATOM      0  HB2 LYS A  67      -3.979  10.000   5.602  1.00  0.00           H   new
ATOM      0  HB3 LYS A  67      -4.672  10.650   4.130  1.00  0.00           H   new
ATOM      0  HG2 LYS A  67      -4.484  12.987   5.229  1.00  0.00           H   new
ATOM      0  HG3 LYS A  67      -3.516  12.224   6.476  1.00  0.00           H   new
ATOM      0  HD2 LYS A  67      -1.865  11.470   4.837  1.00  0.00           H   new
ATOM      0  HD3 LYS A  67      -2.885  11.966   3.501  1.00  0.00           H   new
ATOM      0  HE2 LYS A  67      -2.619  14.312   4.028  1.00  0.00           H   new
ATOM      0  HE3 LYS A  67      -1.960  13.962   5.613  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  67      -0.207  14.534   4.043  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  67      -0.029  12.924   4.551  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  67      -0.667  13.264   3.015  1.00  0.00           H   new
ATOM   1062  N   LYS A  68      -7.121  11.524   3.849  1.00  0.00           N
ATOM   1063  CA  LYS A  68      -7.978  12.414   3.002  1.00  0.00           C
ATOM   1064  C   LYS A  68      -9.355  11.778   2.885  1.00  0.00           C
ATOM   1065  O   LYS A  68     -10.147  12.133   2.035  1.00  0.00           O
ATOM   1066  CB  LYS A  68      -7.363  12.543   1.604  1.00  0.00           C
ATOM   1067  CG  LYS A  68      -5.985  13.214   1.692  1.00  0.00           C
ATOM   1068  CD  LYS A  68      -6.131  14.704   2.051  1.00  0.00           C
ATOM   1069  CE  LYS A  68      -4.868  15.462   1.629  1.00  0.00           C
ATOM   1070  NZ  LYS A  68      -4.865  15.632   0.149  1.00  0.00           N
ATOM      0  H   LYS A  68      -6.826  10.658   3.397  1.00  0.00           H   new
ATOM      0  HA  LYS A  68      -8.051  13.403   3.454  1.00  0.00           H   new
ATOM      0  HB2 LYS A  68      -7.267  11.557   1.148  1.00  0.00           H   new
ATOM      0  HB3 LYS A  68      -8.021  13.129   0.962  1.00  0.00           H   new
ATOM      0  HG2 LYS A  68      -5.377  12.711   2.444  1.00  0.00           H   new
ATOM      0  HG3 LYS A  68      -5.464  13.113   0.740  1.00  0.00           H   new
ATOM      0  HD2 LYS A  68      -7.004  15.125   1.551  1.00  0.00           H   new
ATOM      0  HD3 LYS A  68      -6.293  14.816   3.123  1.00  0.00           H   new
ATOM      0  HE2 LYS A  68      -4.834  16.436   2.118  1.00  0.00           H   new
ATOM      0  HE3 LYS A  68      -3.980  14.915   1.945  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  68      -4.250  16.430  -0.107  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  68      -4.510  14.763  -0.299  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  68      -5.833  15.821  -0.181  1.00  0.00           H   new
ATOM   1084  N   ARG A  69      -9.628  10.829   3.748  1.00  0.00           N
ATOM   1085  CA  ARG A  69     -10.939  10.104   3.746  1.00  0.00           C
ATOM   1086  C   ARG A  69     -11.447   9.959   2.299  1.00  0.00           C
ATOM   1087  O   ARG A  69     -12.625  10.074   2.020  1.00  0.00           O
ATOM   1088  CB  ARG A  69     -11.993  10.827   4.647  1.00  0.00           C
ATOM   1089  CG  ARG A  69     -11.512  12.217   5.108  1.00  0.00           C
ATOM   1090  CD  ARG A  69     -10.333  12.100   6.094  1.00  0.00           C
ATOM   1091  NE  ARG A  69     -10.458  13.167   7.126  1.00  0.00           N
ATOM   1092  CZ  ARG A  69      -9.596  13.234   8.103  1.00  0.00           C
ATOM   1093  NH1 ARG A  69      -8.626  12.365   8.177  1.00  0.00           N
ATOM   1094  NH2 ARG A  69      -9.702  14.171   9.005  1.00  0.00           N
ATOM      0  H   ARG A  69      -8.980  10.519   4.472  1.00  0.00           H   new
ATOM      0  HA  ARG A  69     -10.789   9.110   4.168  1.00  0.00           H   new
ATOM      0  HB2 ARG A  69     -12.928  10.932   4.096  1.00  0.00           H   new
ATOM      0  HB3 ARG A  69     -12.206  10.210   5.520  1.00  0.00           H   new
ATOM      0  HG2 ARG A  69     -11.208  12.805   4.242  1.00  0.00           H   new
ATOM      0  HG3 ARG A  69     -12.335  12.751   5.583  1.00  0.00           H   new
ATOM      0  HD2 ARG A  69     -10.333  11.118   6.566  1.00  0.00           H   new
ATOM      0  HD3 ARG A  69      -9.386  12.199   5.563  1.00  0.00           H   new
ATOM      0  HE  ARG A  69     -11.218  13.845   7.069  1.00  0.00           H   new
ATOM      0 HH11 ARG A  69      -8.542  11.633   7.471  1.00  0.00           H   new
ATOM      0 HH12 ARG A  69      -7.952  12.417   8.941  1.00  0.00           H   new
ATOM      0 HH21 ARG A  69     -10.459  14.852   8.947  1.00  0.00           H   new
ATOM      0 HH22 ARG A  69      -9.028  14.223   9.768  1.00  0.00           H   new
ATOM   1108  N   THR A  70     -10.548   9.710   1.378  1.00  0.00           N
ATOM   1109  CA  THR A  70     -10.933   9.560  -0.058  1.00  0.00           C
ATOM   1110  C   THR A  70     -10.654   8.129  -0.506  1.00  0.00           C
ATOM   1111  O   THR A  70     -10.535   7.229   0.298  1.00  0.00           O
ATOM   1112  CB  THR A  70     -10.105  10.535  -0.906  1.00  0.00           C
ATOM   1113  OG1 THR A  70     -10.626  10.572  -2.226  1.00  0.00           O
ATOM   1114  CG2 THR A  70      -8.642  10.081  -0.948  1.00  0.00           C
ATOM      0  H   THR A  70      -9.551   9.603   1.564  1.00  0.00           H   new
ATOM      0  HA  THR A  70     -11.993   9.779  -0.182  1.00  0.00           H   new
ATOM      0  HB  THR A  70     -10.158  11.529  -0.462  1.00  0.00           H   new
ATOM      0  HG1 THR A  70     -11.595  10.429  -2.199  1.00  0.00           H   new
ATOM      0 HG21 THR A  70      -8.062  10.779  -1.552  1.00  0.00           H   new
ATOM      0 HG22 THR A  70      -8.240  10.056   0.065  1.00  0.00           H   new
ATOM      0 HG23 THR A  70      -8.583   9.085  -1.387  1.00  0.00           H   new
ATOM   1122  N   TRP A  71     -10.555   7.919  -1.792  1.00  0.00           N
ATOM   1123  CA  TRP A  71     -10.290   6.558  -2.334  1.00  0.00           C
ATOM   1124  C   TRP A  71      -9.102   6.611  -3.304  1.00  0.00           C
ATOM   1125  O   TRP A  71      -8.831   7.624  -3.918  1.00  0.00           O
ATOM   1126  CB  TRP A  71     -11.535   6.075  -3.091  1.00  0.00           C
ATOM   1127  CG  TRP A  71     -12.771   6.660  -2.478  1.00  0.00           C
ATOM   1128  CD1 TRP A  71     -13.682   5.967  -1.758  1.00  0.00           C
ATOM   1129  CD2 TRP A  71     -13.247   8.038  -2.524  1.00  0.00           C
ATOM   1130  NE1 TRP A  71     -14.683   6.832  -1.353  1.00  0.00           N
ATOM   1131  CE2 TRP A  71     -14.460   8.119  -1.800  1.00  0.00           C
ATOM   1132  CE3 TRP A  71     -12.748   9.213  -3.114  1.00  0.00           C
ATOM   1133  CZ2 TRP A  71     -15.153   9.323  -1.666  1.00  0.00           C
ATOM   1134  CZ3 TRP A  71     -13.443  10.427  -2.982  1.00  0.00           C
ATOM   1135  CH2 TRP A  71     -14.643  10.481  -2.258  1.00  0.00           C
ATOM      0  H   TRP A  71     -10.649   8.647  -2.500  1.00  0.00           H   new
ATOM      0  HA  TRP A  71     -10.059   5.876  -1.516  1.00  0.00           H   new
ATOM      0  HB2 TRP A  71     -11.468   6.365  -4.140  1.00  0.00           H   new
ATOM      0  HB3 TRP A  71     -11.587   4.987  -3.064  1.00  0.00           H   new
ATOM      0  HD1 TRP A  71     -13.636   4.911  -1.536  1.00  0.00           H   new
ATOM      0  HE1 TRP A  71     -15.488   6.553  -0.792  1.00  0.00           H   new
ATOM      0  HE3 TRP A  71     -11.824   9.182  -3.672  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  71     -16.077   9.359  -1.108  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  71     -13.051  11.323  -3.440  1.00  0.00           H   new
ATOM      0  HH2 TRP A  71     -15.172  11.417  -2.158  1.00  0.00           H   new
ATOM   1146  N   LEU A  72      -8.414   5.512  -3.454  1.00  0.00           N
ATOM   1147  CA  LEU A  72      -7.254   5.441  -4.392  1.00  0.00           C
ATOM   1148  C   LEU A  72      -7.663   4.522  -5.543  1.00  0.00           C
ATOM   1149  O   LEU A  72      -7.721   3.316  -5.391  1.00  0.00           O
ATOM   1150  CB  LEU A  72      -6.038   4.860  -3.656  1.00  0.00           C
ATOM   1151  CG  LEU A  72      -6.056   5.299  -2.194  1.00  0.00           C
ATOM   1152  CD1 LEU A  72      -4.931   4.599  -1.446  1.00  0.00           C
ATOM   1153  CD2 LEU A  72      -5.864   6.815  -2.119  1.00  0.00           C
ATOM      0  H   LEU A  72      -8.610   4.643  -2.957  1.00  0.00           H   new
ATOM      0  HA  LEU A  72      -6.987   6.429  -4.768  1.00  0.00           H   new
ATOM      0  HB2 LEU A  72      -6.050   3.772  -3.718  1.00  0.00           H   new
ATOM      0  HB3 LEU A  72      -5.118   5.196  -4.134  1.00  0.00           H   new
ATOM      0  HG  LEU A  72      -7.011   5.034  -1.740  1.00  0.00           H   new
ATOM      0 HD11 LEU A  72      -4.940   4.910  -0.401  1.00  0.00           H   new
ATOM      0 HD12 LEU A  72      -5.071   3.520  -1.505  1.00  0.00           H   new
ATOM      0 HD13 LEU A  72      -3.974   4.865  -1.895  1.00  0.00           H   new
ATOM      0 HD21 LEU A  72      -5.876   7.132  -1.076  1.00  0.00           H   new
ATOM      0 HD22 LEU A  72      -4.908   7.083  -2.569  1.00  0.00           H   new
ATOM      0 HD23 LEU A  72      -6.671   7.311  -2.659  1.00  0.00           H   new
ATOM   1165  N   LEU A  73      -8.012   5.084  -6.671  1.00  0.00           N
ATOM   1166  CA  LEU A  73      -8.493   4.257  -7.815  1.00  0.00           C
ATOM   1167  C   LEU A  73      -7.414   4.032  -8.890  1.00  0.00           C
ATOM   1168  O   LEU A  73      -6.958   2.925  -9.096  1.00  0.00           O
ATOM   1169  CB  LEU A  73      -9.690   4.980  -8.443  1.00  0.00           C
ATOM   1170  CG  LEU A  73     -10.529   5.661  -7.348  1.00  0.00           C
ATOM   1171  CD1 LEU A  73     -11.754   6.304  -7.994  1.00  0.00           C
ATOM   1172  CD2 LEU A  73     -10.970   4.629  -6.283  1.00  0.00           C
ATOM      0  H   LEU A  73      -7.984   6.088  -6.849  1.00  0.00           H   new
ATOM      0  HA  LEU A  73      -8.764   3.273  -7.434  1.00  0.00           H   new
ATOM      0  HB2 LEU A  73      -9.341   5.723  -9.160  1.00  0.00           H   new
ATOM      0  HB3 LEU A  73     -10.306   4.270  -8.995  1.00  0.00           H   new
ATOM      0  HG  LEU A  73      -9.928   6.424  -6.853  1.00  0.00           H   new
ATOM      0 HD11 LEU A  73     -12.357   6.790  -7.227  1.00  0.00           H   new
ATOM      0 HD12 LEU A  73     -11.433   7.045  -8.726  1.00  0.00           H   new
ATOM      0 HD13 LEU A  73     -12.348   5.537  -8.490  1.00  0.00           H   new
ATOM      0 HD21 LEU A  73     -11.562   5.128  -5.516  1.00  0.00           H   new
ATOM      0 HD22 LEU A  73     -11.570   3.852  -6.756  1.00  0.00           H   new
ATOM      0 HD23 LEU A  73     -10.089   4.179  -5.825  1.00  0.00           H   new
ATOM   1184  N   LYS A  74      -7.062   5.051  -9.625  1.00  0.00           N
ATOM   1185  CA  LYS A  74      -6.088   4.874 -10.738  1.00  0.00           C
ATOM   1186  C   LYS A  74      -4.692   4.430 -10.287  1.00  0.00           C
ATOM   1187  O   LYS A  74      -4.221   4.731  -9.222  1.00  0.00           O
ATOM   1188  CB  LYS A  74      -6.023   6.169 -11.564  1.00  0.00           C
ATOM   1189  CG  LYS A  74      -5.127   7.247 -10.918  1.00  0.00           C
ATOM   1190  CD  LYS A  74      -5.905   8.050  -9.856  1.00  0.00           C
ATOM   1191  CE  LYS A  74      -5.999   7.295  -8.516  1.00  0.00           C
ATOM   1192  NZ  LYS A  74      -5.457   8.159  -7.429  1.00  0.00           N
ATOM      0  H   LYS A  74      -7.409   6.002  -9.502  1.00  0.00           H   new
ATOM      0  HA  LYS A  74      -6.454   4.053 -11.354  1.00  0.00           H   new
ATOM      0  HB2 LYS A  74      -5.646   5.940 -12.561  1.00  0.00           H   new
ATOM      0  HB3 LYS A  74      -7.030   6.567 -11.687  1.00  0.00           H   new
ATOM      0  HG2 LYS A  74      -4.259   6.775 -10.458  1.00  0.00           H   new
ATOM      0  HG3 LYS A  74      -4.753   7.922 -11.687  1.00  0.00           H   new
ATOM      0  HD2 LYS A  74      -5.415   9.011  -9.697  1.00  0.00           H   new
ATOM      0  HD3 LYS A  74      -6.909   8.261 -10.224  1.00  0.00           H   new
ATOM      0  HE2 LYS A  74      -7.035   7.031  -8.305  1.00  0.00           H   new
ATOM      0  HE3 LYS A  74      -5.438   6.362  -8.570  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  74      -5.974   7.972  -6.546  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  74      -4.448   7.950  -7.290  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  74      -5.570   9.159  -7.691  1.00  0.00           H   new
ATOM   1206  N   THR A  75      -4.021   3.722 -11.136  1.00  0.00           N
ATOM   1207  CA  THR A  75      -2.638   3.275 -10.826  1.00  0.00           C
ATOM   1208  C   THR A  75      -1.674   4.428 -11.133  1.00  0.00           C
ATOM   1209  O   THR A  75      -0.706   4.661 -10.437  1.00  0.00           O
ATOM   1210  CB  THR A  75      -2.292   2.067 -11.701  1.00  0.00           C
ATOM   1211  OG1 THR A  75      -0.884   2.004 -11.886  1.00  0.00           O
ATOM   1212  CG2 THR A  75      -2.972   2.213 -13.061  1.00  0.00           C
ATOM      0  H   THR A  75      -4.373   3.427 -12.047  1.00  0.00           H   new
ATOM      0  HA  THR A  75      -2.556   2.993  -9.776  1.00  0.00           H   new
ATOM      0  HB  THR A  75      -2.638   1.156 -11.214  1.00  0.00           H   new
ATOM      0  HG1 THR A  75      -0.682   1.455 -12.672  1.00  0.00           H   new
ATOM      0 HG21 THR A  75      -2.726   1.354 -13.685  1.00  0.00           H   new
ATOM      0 HG22 THR A  75      -4.052   2.265 -12.924  1.00  0.00           H   new
ATOM      0 HG23 THR A  75      -2.623   3.125 -13.546  1.00  0.00           H   new
ATOM   1220  N   HIS A  76      -1.944   5.130 -12.204  1.00  0.00           N
ATOM   1221  CA  HIS A  76      -1.077   6.267 -12.640  1.00  0.00           C
ATOM   1222  C   HIS A  76      -0.589   7.092 -11.450  1.00  0.00           C
ATOM   1223  O   HIS A  76       0.378   7.815 -11.557  1.00  0.00           O
ATOM   1224  CB  HIS A  76      -1.884   7.177 -13.560  1.00  0.00           C
ATOM   1225  CG  HIS A  76      -0.986   8.250 -14.113  1.00  0.00           C
ATOM   1226  ND1 HIS A  76       0.369   8.046 -14.318  1.00  0.00           N
ATOM   1227  CD2 HIS A  76      -1.234   9.542 -14.505  1.00  0.00           C
ATOM   1228  CE1 HIS A  76       0.881   9.188 -14.813  1.00  0.00           C
ATOM   1229  NE2 HIS A  76      -0.053  10.133 -14.947  1.00  0.00           N
ATOM      0  H   HIS A  76      -2.748   4.959 -12.808  1.00  0.00           H   new
ATOM      0  HA  HIS A  76      -0.209   5.854 -13.154  1.00  0.00           H   new
ATOM      0  HB2 HIS A  76      -2.319   6.597 -14.373  1.00  0.00           H   new
ATOM      0  HB3 HIS A  76      -2.711   7.627 -13.011  1.00  0.00           H   new
ATOM      0  HD2 HIS A  76      -2.199  10.027 -14.475  1.00  0.00           H   new
ATOM      0  HE1 HIS A  76       1.921   9.324 -15.071  1.00  0.00           H   new
ATOM      0  HE2 HIS A  76       0.072  11.083 -15.297  1.00  0.00           H   new
ATOM   1237  N   TRP A  77      -1.260   7.014 -10.331  1.00  0.00           N
ATOM   1238  CA  TRP A  77      -0.846   7.816  -9.132  1.00  0.00           C
ATOM   1239  C   TRP A  77      -0.396   6.881  -8.008  1.00  0.00           C
ATOM   1240  O   TRP A  77      -1.069   6.709  -7.022  1.00  0.00           O
ATOM   1241  CB  TRP A  77      -2.038   8.644  -8.652  1.00  0.00           C
ATOM   1242  CG  TRP A  77      -2.113   9.929  -9.421  1.00  0.00           C
ATOM   1243  CD1 TRP A  77      -2.557  10.053 -10.692  1.00  0.00           C
ATOM   1244  CD2 TRP A  77      -1.733  11.267  -8.988  1.00  0.00           C
ATOM   1245  NE1 TRP A  77      -2.475  11.382 -11.068  1.00  0.00           N
ATOM   1246  CE2 TRP A  77      -1.974  12.170 -10.051  1.00  0.00           C
ATOM   1247  CE3 TRP A  77      -1.209  11.780  -7.788  1.00  0.00           C
ATOM   1248  CZ2 TRP A  77      -1.703  13.533  -9.927  1.00  0.00           C
ATOM   1249  CZ3 TRP A  77      -0.935  13.152  -7.660  1.00  0.00           C
ATOM   1250  CH2 TRP A  77      -1.182  14.026  -8.727  1.00  0.00           C
ATOM      0  H   TRP A  77      -2.082   6.427 -10.191  1.00  0.00           H   new
ATOM      0  HA  TRP A  77      -0.019   8.472  -9.403  1.00  0.00           H   new
ATOM      0  HB2 TRP A  77      -2.960   8.078  -8.783  1.00  0.00           H   new
ATOM      0  HB3 TRP A  77      -1.941   8.853  -7.587  1.00  0.00           H   new
ATOM      0  HD1 TRP A  77      -2.917   9.246 -11.313  1.00  0.00           H   new
ATOM      0  HE1 TRP A  77      -2.751  11.736 -11.984  1.00  0.00           H   new
ATOM      0  HE3 TRP A  77      -1.016  11.115  -6.959  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  77      -1.894  14.203 -10.752  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  77      -0.532  13.535  -6.734  1.00  0.00           H   new
ATOM      0  HH2 TRP A  77      -0.970  15.080  -8.622  1.00  0.00           H   new
ATOM   1261  N   THR A  78       0.755   6.313  -8.139  1.00  0.00           N
ATOM   1262  CA  THR A  78       1.277   5.404  -7.088  1.00  0.00           C
ATOM   1263  C   THR A  78       1.075   6.060  -5.727  1.00  0.00           C
ATOM   1264  O   THR A  78       0.706   7.213  -5.628  1.00  0.00           O
ATOM   1265  CB  THR A  78       2.783   5.180  -7.335  1.00  0.00           C
ATOM   1266  OG1 THR A  78       3.055   5.336  -8.717  1.00  0.00           O
ATOM   1267  CG2 THR A  78       3.193   3.779  -6.902  1.00  0.00           C
ATOM      0  H   THR A  78       1.372   6.438  -8.942  1.00  0.00           H   new
ATOM      0  HA  THR A  78       0.753   4.449  -7.114  1.00  0.00           H   new
ATOM      0  HB  THR A  78       3.348   5.909  -6.753  1.00  0.00           H   new
ATOM      0  HG1 THR A  78       4.011   5.196  -8.880  1.00  0.00           H   new
ATOM      0 HG21 THR A  78       4.259   3.639  -7.084  1.00  0.00           H   new
ATOM      0 HG22 THR A  78       2.986   3.652  -5.839  1.00  0.00           H   new
ATOM      0 HG23 THR A  78       2.628   3.042  -7.472  1.00  0.00           H   new
ATOM   1275  N   LEU A  79       1.321   5.356  -4.678  1.00  0.00           N
ATOM   1276  CA  LEU A  79       1.143   5.979  -3.358  1.00  0.00           C
ATOM   1277  C   LEU A  79       2.230   7.016  -3.203  1.00  0.00           C
ATOM   1278  O   LEU A  79       1.991   8.117  -2.750  1.00  0.00           O
ATOM   1279  CB  LEU A  79       1.221   4.897  -2.292  1.00  0.00           C
ATOM   1280  CG  LEU A  79       2.591   4.170  -2.371  1.00  0.00           C
ATOM   1281  CD1 LEU A  79       3.560   4.781  -1.339  1.00  0.00           C
ATOM   1282  CD2 LEU A  79       2.425   2.652  -2.108  1.00  0.00           C
ATOM      0  H   LEU A  79       1.635   4.385  -4.674  1.00  0.00           H   new
ATOM      0  HA  LEU A  79       0.173   6.466  -3.256  1.00  0.00           H   new
ATOM      0  HB2 LEU A  79       1.091   5.339  -1.304  1.00  0.00           H   new
ATOM      0  HB3 LEU A  79       0.411   4.180  -2.430  1.00  0.00           H   new
ATOM      0  HG  LEU A  79       2.998   4.300  -3.374  1.00  0.00           H   new
ATOM      0 HD11 LEU A  79       4.521   4.270  -1.395  1.00  0.00           H   new
ATOM      0 HD12 LEU A  79       3.699   5.841  -1.553  1.00  0.00           H   new
ATOM      0 HD13 LEU A  79       3.146   4.665  -0.338  1.00  0.00           H   new
ATOM      0 HD21 LEU A  79       3.398   2.164  -2.169  1.00  0.00           H   new
ATOM      0 HD22 LEU A  79       2.003   2.499  -1.115  1.00  0.00           H   new
ATOM      0 HD23 LEU A  79       1.757   2.224  -2.856  1.00  0.00           H   new
ATOM   1294  N   ASP A  80       3.421   6.711  -3.629  1.00  0.00           N
ATOM   1295  CA  ASP A  80       4.472   7.741  -3.530  1.00  0.00           C
ATOM   1296  C   ASP A  80       4.027   8.927  -4.380  1.00  0.00           C
ATOM   1297  O   ASP A  80       4.190  10.064  -3.987  1.00  0.00           O
ATOM   1298  CB  ASP A  80       5.813   7.175  -4.013  1.00  0.00           C
ATOM   1299  CG  ASP A  80       6.735   8.296  -4.516  1.00  0.00           C
ATOM   1300  OD1 ASP A  80       7.102   9.139  -3.714  1.00  0.00           O
ATOM   1301  OD2 ASP A  80       7.056   8.289  -5.693  1.00  0.00           O
ATOM      0  H   ASP A  80       3.702   5.816  -4.030  1.00  0.00           H   new
ATOM      0  HA  ASP A  80       4.615   8.060  -2.497  1.00  0.00           H   new
ATOM      0  HB2 ASP A  80       6.299   6.637  -3.199  1.00  0.00           H   new
ATOM      0  HB3 ASP A  80       5.641   6.455  -4.813  1.00  0.00           H   new
ATOM   1306  N   LYS A  81       3.439   8.675  -5.532  1.00  0.00           N
ATOM   1307  CA  LYS A  81       2.973   9.813  -6.380  1.00  0.00           C
ATOM   1308  C   LYS A  81       2.167  10.754  -5.489  1.00  0.00           C
ATOM   1309  O   LYS A  81       2.311  11.959  -5.535  1.00  0.00           O
ATOM   1310  CB  LYS A  81       2.078   9.289  -7.530  1.00  0.00           C
ATOM   1311  CG  LYS A  81       2.778   9.434  -8.904  1.00  0.00           C
ATOM   1312  CD  LYS A  81       3.718   8.226  -9.188  1.00  0.00           C
ATOM   1313  CE  LYS A  81       3.220   7.465 -10.417  1.00  0.00           C
ATOM   1314  NZ  LYS A  81       3.352   8.328 -11.625  1.00  0.00           N
ATOM      0  H   LYS A  81       3.266   7.744  -5.912  1.00  0.00           H   new
ATOM      0  HA  LYS A  81       3.825  10.332  -6.819  1.00  0.00           H   new
ATOM      0  HB2 LYS A  81       1.833   8.242  -7.354  1.00  0.00           H   new
ATOM      0  HB3 LYS A  81       1.137   9.839  -7.540  1.00  0.00           H   new
ATOM      0  HG2 LYS A  81       2.028   9.507  -9.691  1.00  0.00           H   new
ATOM      0  HG3 LYS A  81       3.354  10.359  -8.926  1.00  0.00           H   new
ATOM      0  HD2 LYS A  81       4.737   8.576  -9.353  1.00  0.00           H   new
ATOM      0  HD3 LYS A  81       3.745   7.563  -8.324  1.00  0.00           H   new
ATOM      0  HE2 LYS A  81       3.795   6.548 -10.548  1.00  0.00           H   new
ATOM      0  HE3 LYS A  81       2.179   7.172 -10.279  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  81       2.407   8.541 -12.004  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  81       3.830   9.215 -11.367  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  81       3.911   7.831 -12.347  1.00  0.00           H   new
ATOM   1328  N   TYR A  82       1.332  10.195  -4.666  1.00  0.00           N
ATOM   1329  CA  TYR A  82       0.526  11.042  -3.752  1.00  0.00           C
ATOM   1330  C   TYR A  82       1.490  11.657  -2.737  1.00  0.00           C
ATOM   1331  O   TYR A  82       1.265  12.730  -2.214  1.00  0.00           O
ATOM   1332  CB  TYR A  82      -0.538  10.165  -3.041  1.00  0.00           C
ATOM   1333  CG  TYR A  82      -1.931  10.514  -3.536  1.00  0.00           C
ATOM   1334  CD1 TYR A  82      -2.497  11.750  -3.203  1.00  0.00           C
ATOM   1335  CD2 TYR A  82      -2.650   9.604  -4.322  1.00  0.00           C
ATOM   1336  CE1 TYR A  82      -3.781  12.078  -3.654  1.00  0.00           C
ATOM   1337  CE2 TYR A  82      -3.935   9.932  -4.773  1.00  0.00           C
ATOM   1338  CZ  TYR A  82      -4.501  11.169  -4.439  1.00  0.00           C
ATOM   1339  OH  TYR A  82      -5.767  11.491  -4.883  1.00  0.00           O
ATOM      0  H   TYR A  82       1.173   9.191  -4.586  1.00  0.00           H   new
ATOM      0  HA  TYR A  82       0.003  11.829  -4.295  1.00  0.00           H   new
ATOM      0  HB2 TYR A  82      -0.333   9.111  -3.227  1.00  0.00           H   new
ATOM      0  HB3 TYR A  82      -0.480  10.315  -1.963  1.00  0.00           H   new
ATOM      0  HD1 TYR A  82      -1.942  12.452  -2.597  1.00  0.00           H   new
ATOM      0  HD2 TYR A  82      -2.214   8.650  -4.580  1.00  0.00           H   new
ATOM      0  HE1 TYR A  82      -4.216  13.032  -3.396  1.00  0.00           H   new
ATOM      0  HE2 TYR A  82      -4.490   9.231  -5.379  1.00  0.00           H   new
ATOM      0  HH  TYR A  82      -6.125  10.750  -5.415  1.00  0.00           H   new
ATOM   1349  N   GLY A  83       2.565  10.966  -2.453  1.00  0.00           N
ATOM   1350  CA  GLY A  83       3.562  11.481  -1.465  1.00  0.00           C
ATOM   1351  C   GLY A  83       3.336  10.728  -0.169  1.00  0.00           C
ATOM   1352  O   GLY A  83       3.522  11.239   0.918  1.00  0.00           O
ATOM      0  H   GLY A  83       2.796  10.062  -2.865  1.00  0.00           H   new
ATOM      0  HA2 GLY A  83       4.578  11.327  -1.828  1.00  0.00           H   new
ATOM      0  HA3 GLY A  83       3.436  12.553  -1.314  1.00  0.00           H   new
ATOM   1356  N   ILE A  84       2.909   9.512  -0.297  1.00  0.00           N
ATOM   1357  CA  ILE A  84       2.623   8.674   0.891  1.00  0.00           C
ATOM   1358  C   ILE A  84       3.918   8.011   1.385  1.00  0.00           C
ATOM   1359  O   ILE A  84       4.827   7.746   0.624  1.00  0.00           O
ATOM   1360  CB  ILE A  84       1.588   7.616   0.454  1.00  0.00           C
ATOM   1361  CG1 ILE A  84       0.169   8.159   0.648  1.00  0.00           C
ATOM   1362  CG2 ILE A  84       1.742   6.319   1.242  1.00  0.00           C
ATOM   1363  CD1 ILE A  84      -0.830   7.253  -0.074  1.00  0.00           C
ATOM      0  H   ILE A  84       2.742   9.053  -1.193  1.00  0.00           H   new
ATOM      0  HA  ILE A  84       2.229   9.269   1.715  1.00  0.00           H   new
ATOM      0  HB  ILE A  84       1.764   7.400  -0.600  1.00  0.00           H   new
ATOM      0 HG12 ILE A  84      -0.071   8.208   1.710  1.00  0.00           H   new
ATOM      0 HG13 ILE A  84       0.101   9.175   0.259  1.00  0.00           H   new
ATOM      0 HG21 ILE A  84       0.996   5.599   0.906  1.00  0.00           H   new
ATOM      0 HG22 ILE A  84       2.740   5.911   1.080  1.00  0.00           H   new
ATOM      0 HG23 ILE A  84       1.600   6.520   2.304  1.00  0.00           H   new
ATOM      0 HD11 ILE A  84      -1.839   7.641   0.065  1.00  0.00           H   new
ATOM      0 HD12 ILE A  84      -0.595   7.227  -1.138  1.00  0.00           H   new
ATOM      0 HD13 ILE A  84      -0.769   6.245   0.336  1.00  0.00           H   new
ATOM   1375  N   GLN A  85       3.981   7.724   2.661  1.00  0.00           N
ATOM   1376  CA  GLN A  85       5.180   7.051   3.247  1.00  0.00           C
ATOM   1377  C   GLN A  85       4.705   5.889   4.115  1.00  0.00           C
ATOM   1378  O   GLN A  85       3.599   5.406   3.972  1.00  0.00           O
ATOM   1379  CB  GLN A  85       5.956   8.037   4.119  1.00  0.00           C
ATOM   1380  CG  GLN A  85       6.497   9.169   3.245  1.00  0.00           C
ATOM   1381  CD  GLN A  85       6.872  10.367   4.122  1.00  0.00           C
ATOM   1382  OE1 GLN A  85       8.016  10.523   4.500  1.00  0.00           O
ATOM   1383  NE2 GLN A  85       5.949  11.224   4.462  1.00  0.00           N
ATOM      0  H   GLN A  85       3.241   7.931   3.331  1.00  0.00           H   new
ATOM      0  HA  GLN A  85       5.828   6.693   2.447  1.00  0.00           H   new
ATOM      0  HB2 GLN A  85       5.307   8.441   4.896  1.00  0.00           H   new
ATOM      0  HB3 GLN A  85       6.777   7.527   4.622  1.00  0.00           H   new
ATOM      0  HG2 GLN A  85       7.370   8.826   2.689  1.00  0.00           H   new
ATOM      0  HG3 GLN A  85       5.747   9.464   2.511  1.00  0.00           H   new
ATOM      0 HE21 GLN A  85       4.989  11.092   4.144  1.00  0.00           H   new
ATOM      0 HE22 GLN A  85       6.188  12.026   5.046  1.00  0.00           H   new
ATOM   1392  N   ALA A  86       5.527   5.439   5.018  1.00  0.00           N
ATOM   1393  CA  ALA A  86       5.119   4.314   5.901  1.00  0.00           C
ATOM   1394  C   ALA A  86       4.268   4.856   7.053  1.00  0.00           C
ATOM   1395  O   ALA A  86       3.718   4.109   7.837  1.00  0.00           O
ATOM   1396  CB  ALA A  86       6.377   3.635   6.451  1.00  0.00           C
ATOM      0  H   ALA A  86       6.466   5.802   5.183  1.00  0.00           H   new
ATOM      0  HA  ALA A  86       4.532   3.588   5.338  1.00  0.00           H   new
ATOM      0  HB1 ALA A  86       6.090   2.808   7.100  1.00  0.00           H   new
ATOM      0  HB2 ALA A  86       6.977   3.255   5.624  1.00  0.00           H   new
ATOM      0  HB3 ALA A  86       6.961   4.358   7.021  1.00  0.00           H   new
ATOM   1402  N   ASP A  87       4.159   6.151   7.158  1.00  0.00           N
ATOM   1403  CA  ASP A  87       3.347   6.747   8.257  1.00  0.00           C
ATOM   1404  C   ASP A  87       1.910   6.864   7.788  1.00  0.00           C
ATOM   1405  O   ASP A  87       1.063   7.440   8.442  1.00  0.00           O
ATOM   1406  CB  ASP A  87       3.886   8.134   8.589  1.00  0.00           C
ATOM   1407  CG  ASP A  87       3.220   8.652   9.865  1.00  0.00           C
ATOM   1408  OD1 ASP A  87       2.628   7.850  10.568  1.00  0.00           O
ATOM   1409  OD2 ASP A  87       3.312   9.843  10.116  1.00  0.00           O
ATOM      0  H   ASP A  87       4.598   6.824   6.529  1.00  0.00           H   new
ATOM      0  HA  ASP A  87       3.400   6.118   9.145  1.00  0.00           H   new
ATOM      0  HB2 ASP A  87       4.967   8.093   8.722  1.00  0.00           H   new
ATOM      0  HB3 ASP A  87       3.692   8.818   7.762  1.00  0.00           H   new
ATOM   1414  N   ALA A  88       1.641   6.318   6.646  1.00  0.00           N
ATOM   1415  CA  ALA A  88       0.263   6.374   6.078  1.00  0.00           C
ATOM   1416  C   ALA A  88      -0.465   5.059   6.360  1.00  0.00           C
ATOM   1417  O   ALA A  88      -0.053   4.002   5.924  1.00  0.00           O
ATOM   1418  CB  ALA A  88       0.354   6.591   4.568  1.00  0.00           C
ATOM      0  H   ALA A  88       2.323   5.826   6.068  1.00  0.00           H   new
ATOM      0  HA  ALA A  88      -0.288   7.195   6.537  1.00  0.00           H   new
ATOM      0  HB1 ALA A  88      -0.650   6.633   4.145  1.00  0.00           H   new
ATOM      0  HB2 ALA A  88       0.872   7.528   4.366  1.00  0.00           H   new
ATOM      0  HB3 ALA A  88       0.904   5.767   4.114  1.00  0.00           H   new
ATOM   1424  N   LYS A  89      -1.555   5.120   7.074  1.00  0.00           N
ATOM   1425  CA  LYS A  89      -2.337   3.888   7.381  1.00  0.00           C
ATOM   1426  C   LYS A  89      -3.485   3.803   6.373  1.00  0.00           C
ATOM   1427  O   LYS A  89      -4.409   4.589   6.409  1.00  0.00           O
ATOM   1428  CB  LYS A  89      -2.900   3.980   8.813  1.00  0.00           C
ATOM   1429  CG  LYS A  89      -1.882   3.432   9.826  1.00  0.00           C
ATOM   1430  CD  LYS A  89      -0.578   4.236   9.766  1.00  0.00           C
ATOM   1431  CE  LYS A  89      -0.849   5.712  10.075  1.00  0.00           C
ATOM   1432  NZ  LYS A  89      -1.875   5.824  11.150  1.00  0.00           N
ATOM      0  H   LYS A  89      -1.942   5.980   7.462  1.00  0.00           H   new
ATOM      0  HA  LYS A  89      -1.706   3.002   7.312  1.00  0.00           H   new
ATOM      0  HB2 LYS A  89      -3.137   5.017   9.051  1.00  0.00           H   new
ATOM      0  HB3 LYS A  89      -3.830   3.416   8.882  1.00  0.00           H   new
ATOM      0  HG2 LYS A  89      -2.299   3.480  10.832  1.00  0.00           H   new
ATOM      0  HG3 LYS A  89      -1.679   2.382   9.615  1.00  0.00           H   new
ATOM      0  HD2 LYS A  89       0.139   3.833  10.482  1.00  0.00           H   new
ATOM      0  HD3 LYS A  89      -0.129   4.141   8.777  1.00  0.00           H   new
ATOM      0  HE2 LYS A  89       0.073   6.203  10.387  1.00  0.00           H   new
ATOM      0  HE3 LYS A  89      -1.194   6.224   9.176  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  89      -1.772   6.738  11.635  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  89      -2.825   5.760  10.731  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  89      -1.746   5.052  11.835  1.00  0.00           H   new
ATOM   1446  N   LEU A  90      -3.431   2.871   5.462  1.00  0.00           N
ATOM   1447  CA  LEU A  90      -4.509   2.763   4.451  1.00  0.00           C
ATOM   1448  C   LEU A  90      -5.671   1.964   4.996  1.00  0.00           C
ATOM   1449  O   LEU A  90      -5.623   1.384   6.061  1.00  0.00           O
ATOM   1450  CB  LEU A  90      -3.966   2.077   3.204  1.00  0.00           C
ATOM   1451  CG  LEU A  90      -2.847   2.936   2.613  1.00  0.00           C
ATOM   1452  CD1 LEU A  90      -2.191   2.183   1.454  1.00  0.00           C
ATOM   1453  CD2 LEU A  90      -3.413   4.281   2.113  1.00  0.00           C
ATOM      0  H   LEU A  90      -2.685   2.181   5.377  1.00  0.00           H   new
ATOM      0  HA  LEU A  90      -4.858   3.765   4.203  1.00  0.00           H   new
ATOM      0  HB2 LEU A  90      -3.588   1.086   3.454  1.00  0.00           H   new
ATOM      0  HB3 LEU A  90      -4.762   1.940   2.472  1.00  0.00           H   new
ATOM      0  HG  LEU A  90      -2.104   3.138   3.384  1.00  0.00           H   new
ATOM      0 HD11 LEU A  90      -1.393   2.792   1.030  1.00  0.00           H   new
ATOM      0 HD12 LEU A  90      -1.776   1.244   1.819  1.00  0.00           H   new
ATOM      0 HD13 LEU A  90      -2.936   1.976   0.686  1.00  0.00           H   new
ATOM      0 HD21 LEU A  90      -2.606   4.882   1.695  1.00  0.00           H   new
ATOM      0 HD22 LEU A  90      -4.164   4.097   1.345  1.00  0.00           H   new
ATOM      0 HD23 LEU A  90      -3.870   4.816   2.946  1.00  0.00           H   new
ATOM   1465  N   GLN A  91      -6.710   1.933   4.233  1.00  0.00           N
ATOM   1466  CA  GLN A  91      -7.924   1.185   4.589  1.00  0.00           C
ATOM   1467  C   GLN A  91      -8.369   0.478   3.324  1.00  0.00           C
ATOM   1468  O   GLN A  91      -7.838   0.704   2.266  1.00  0.00           O
ATOM   1469  CB  GLN A  91      -9.038   2.090   5.106  1.00  0.00           C
ATOM   1470  CG  GLN A  91      -8.459   3.163   6.034  1.00  0.00           C
ATOM   1471  CD  GLN A  91      -9.521   4.223   6.300  1.00  0.00           C
ATOM   1472  OE1 GLN A  91      -9.417   5.376   5.715  1.00  0.00           O   flip
ATOM   1473  NE2 GLN A  91     -10.452   3.998   7.047  1.00  0.00           N   flip
ATOM      0  H   GLN A  91      -6.767   2.418   3.338  1.00  0.00           H   new
ATOM      0  HA  GLN A  91      -7.707   0.488   5.398  1.00  0.00           H   new
ATOM      0  HB2 GLN A  91      -9.552   2.562   4.268  1.00  0.00           H   new
ATOM      0  HB3 GLN A  91      -9.779   1.497   5.641  1.00  0.00           H   new
ATOM      0  HG2 GLN A  91      -8.135   2.713   6.972  1.00  0.00           H   new
ATOM      0  HG3 GLN A  91      -7.580   3.619   5.579  1.00  0.00           H   new
ATOM      0 HE21 GLN A  91     -10.530   3.090   7.505  1.00  0.00           H   new
ATOM      0 HE22 GLN A  91     -11.155   4.717   7.216  1.00  0.00           H   new
ATOM   1482  N   PHE A  92      -9.321  -0.366   3.438  1.00  0.00           N
ATOM   1483  CA  PHE A  92      -9.855  -1.120   2.289  1.00  0.00           C
ATOM   1484  C   PHE A  92     -11.334  -0.901   2.304  1.00  0.00           C
ATOM   1485  O   PHE A  92     -11.923  -0.650   3.328  1.00  0.00           O
ATOM   1486  CB  PHE A  92      -9.539  -2.594   2.457  1.00  0.00           C
ATOM   1487  CG  PHE A  92     -10.028  -3.416   1.284  1.00  0.00           C
ATOM   1488  CD1 PHE A  92     -11.391  -3.723   1.158  1.00  0.00           C
ATOM   1489  CD2 PHE A  92      -9.113  -3.916   0.355  1.00  0.00           C
ATOM   1490  CE1 PHE A  92     -11.832  -4.523   0.098  1.00  0.00           C
ATOM   1491  CE2 PHE A  92      -9.552  -4.724  -0.699  1.00  0.00           C
ATOM   1492  CZ  PHE A  92     -10.913  -5.026  -0.829  1.00  0.00           C
ATOM      0  H   PHE A  92      -9.780  -0.580   4.324  1.00  0.00           H   new
ATOM      0  HA  PHE A  92      -9.417  -0.791   1.347  1.00  0.00           H   new
ATOM      0  HB2 PHE A  92      -8.462  -2.724   2.567  1.00  0.00           H   new
ATOM      0  HB3 PHE A  92     -10.000  -2.961   3.374  1.00  0.00           H   new
ATOM      0  HD1 PHE A  92     -12.100  -3.342   1.879  1.00  0.00           H   new
ATOM      0  HD2 PHE A  92      -8.064  -3.678   0.451  1.00  0.00           H   new
ATOM      0  HE1 PHE A  92     -12.882  -4.752  -0.004  1.00  0.00           H   new
ATOM      0  HE2 PHE A  92      -8.841  -5.115  -1.412  1.00  0.00           H   new
ATOM      0  HZ  PHE A  92     -11.253  -5.647  -1.645  1.00  0.00           H   new
ATOM   1502  N   THR A  93     -11.931  -0.944   1.186  1.00  0.00           N
ATOM   1503  CA  THR A  93     -13.398  -0.717   1.138  1.00  0.00           C
ATOM   1504  C   THR A  93     -13.962  -1.154  -0.221  1.00  0.00           C
ATOM   1505  O   THR A  93     -13.289  -1.066  -1.223  1.00  0.00           O
ATOM   1506  CB  THR A  93     -13.660   0.759   1.417  1.00  0.00           C
ATOM   1507  OG1 THR A  93     -14.975   1.109   1.032  1.00  0.00           O
ATOM   1508  CG2 THR A  93     -12.667   1.609   0.639  1.00  0.00           C
ATOM      0  H   THR A  93     -11.484  -1.126   0.287  1.00  0.00           H   new
ATOM      0  HA  THR A  93     -13.904  -1.316   1.895  1.00  0.00           H   new
ATOM      0  HB  THR A  93     -13.544   0.938   2.486  1.00  0.00           H   new
ATOM      0  HG1 THR A  93     -15.129   2.059   1.219  1.00  0.00           H   new
ATOM      0 HG21 THR A  93     -12.855   2.664   0.839  1.00  0.00           H   new
ATOM      0 HG22 THR A  93     -11.652   1.357   0.947  1.00  0.00           H   new
ATOM      0 HG23 THR A  93     -12.781   1.416  -0.428  1.00  0.00           H   new
ATOM   1516  N   PRO A  94     -15.187  -1.628  -0.261  1.00  0.00           N
ATOM   1517  CA  PRO A  94     -15.825  -2.084  -1.533  1.00  0.00           C
ATOM   1518  C   PRO A  94     -16.068  -0.921  -2.505  1.00  0.00           C
ATOM   1519  O   PRO A  94     -16.505  -1.183  -3.614  1.00  0.00           O
ATOM   1520  CB  PRO A  94     -17.155  -2.711  -1.076  1.00  0.00           C
ATOM   1521  CG  PRO A  94     -17.454  -2.062   0.237  1.00  0.00           C
ATOM   1522  CD  PRO A  94     -16.099  -1.784   0.887  1.00  0.00           C
ATOM      0  HA  PRO A  94     -15.192  -2.782  -2.081  1.00  0.00           H   new
ATOM      0  HB2 PRO A  94     -17.949  -2.524  -1.799  1.00  0.00           H   new
ATOM      0  HB3 PRO A  94     -17.067  -3.792  -0.971  1.00  0.00           H   new
ATOM      0  HG2 PRO A  94     -18.016  -1.139   0.097  1.00  0.00           H   new
ATOM      0  HG3 PRO A  94     -18.062  -2.713   0.865  1.00  0.00           H   new
ATOM      0  HD2 PRO A  94     -16.127  -0.884   1.502  1.00  0.00           H   new
ATOM      0  HD3 PRO A  94     -15.790  -2.604   1.536  1.00  0.00           H   new