USER  MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=28
USER  MOD reduce.3.24.130724 removed 798 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  73 CYS SG  :   rot  180:sc= -0.0197
USER  MOD Set 1.2: A  90 SER OG  :   rot  167:sc=  0.0354
USER  MOD Set 2.1: A  21 LYS NZ  :NH3+    126:sc=  -0.292   (180deg=-1.14!)
USER  MOD Set 2.2: A  51 ASN     :      amide:sc=  -0.759  X(o=-1.1,f=-0.91)
USER  MOD Set 3.1: A  30 THR OG1 :   rot  -35:sc=  0.0958
USER  MOD Set 3.2: A  39 LYS NZ  :NH3+    146:sc=  -0.323   (180deg=-1.6)
USER  MOD Set 4.1: A  32 CYS SG  :   rot -173:sc=   0.449
USER  MOD Set 4.2: A  35 CYS SG  :   rot   81:sc=   -2.36!
USER  MOD Single : A   3 LYS NZ  :NH3+    168:sc=       0   (180deg=-0.156)
USER  MOD Single : A   4 GLN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A   7 SER OG  :   rot  180:sc=       0
USER  MOD Single : A   8 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A   9 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  12 GLN     :FLIP  amide:sc=  -0.106  F(o=-0.68,f=-0.11)
USER  MOD Single : A  28 SER OG  :   rot  180:sc= -0.0225
USER  MOD Single : A  36 LYS NZ  :NH3+   -150:sc=  -0.334   (180deg=-1.75!)
USER  MOD Single : A  37 MET CE  :methyl  180:sc=       0   (180deg=0)
USER  MOD Single : A  43 HIS     :     no HE2:sc=   0.516  K(o=0.52,f=-4.3!)
USER  MOD Single : A  44 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  46 SER OG  :   rot -108:sc=   0.295
USER  MOD Single : A  48 LYS NZ  :NH3+    150:sc= -0.0949   (180deg=-0.586)
USER  MOD Single : A  49 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  50 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  62 CYS SG  :   rot  180:sc=  -0.314
USER  MOD Single : A  63 GLN     :      amide:sc= -0.0113  X(o=-0.011,f=0)
USER  MOD Single : A  67 SER OG  :   rot  -39:sc=    0.32
USER  MOD Single : A  69 CYS SG  :   rot  141:sc=  0.0292
USER  MOD Single : A  72 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  74 THR OG1 :   rot  180:sc=  0.0333
USER  MOD Single : A  76 THR OG1 :   rot   96:sc=   0.712
USER  MOD Single : A  78 GLN     :      amide:sc=   -4.85! C(o=-4.8!,f=-12!)
USER  MOD Single : A  81 LYS NZ  :NH3+   -151:sc=  -0.198   (180deg=-0.954)
USER  MOD Single : A  82 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  84 GLN     :      amide:sc= -0.0735  X(o=-0.073,f=-0.024)
USER  MOD Single : A  85 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  93 ASN     :FLIP  amide:sc=  -0.147  F(o=-4.3!,f=-0.15)
USER  MOD Single : A  94 LYS NZ  :NH3+   -130:sc=  0.0764   (180deg=-0.0567)
USER  MOD Single : A  96 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A 100 THR OG1 :   rot   56:sc=  -0.635!
USER  MOD Single : A 102 ASN     :      amide:sc= -0.0734  K(o=-0.073,f=-1.4)
USER  MOD -----------------------------------------------------------------
ATOM     20  N   VAL A   2      -4.180  -0.392   9.021  1.00  0.23           N
ATOM     21  CA  VAL A   2      -2.985  -0.497   8.133  1.00  0.25           C
ATOM     22  C   VAL A   2      -2.035  -1.582   8.656  1.00  0.35           C
ATOM     23  O   VAL A   2      -1.802  -1.682   9.845  1.00  0.39           O
ATOM     24  CB  VAL A   2      -2.259   0.845   8.105  1.00  0.39           C
ATOM     25  CG1 VAL A   2      -1.116   0.773   7.092  1.00  0.54           C
ATOM     26  CG2 VAL A   2      -3.241   1.938   7.677  1.00  0.32           C
ATOM      0  HA  VAL A   2      -3.308  -0.763   7.126  1.00  0.25           H   new
ATOM      0  HB  VAL A   2      -1.863   1.072   9.095  1.00  0.39           H   new
ATOM      0 HG11 VAL A   2      -0.592   1.728   7.066  1.00  0.54           H   new
ATOM      0 HG12 VAL A   2      -0.421  -0.014   7.383  1.00  0.54           H   new
ATOM      0 HG13 VAL A   2      -1.519   0.553   6.103  1.00  0.54           H   new
ATOM      0 HG21 VAL A   2      -2.728   2.900   7.655  1.00  0.32           H   new
ATOM      0 HG22 VAL A   2      -3.628   1.711   6.684  1.00  0.32           H   new
ATOM      0 HG23 VAL A   2      -4.067   1.983   8.387  1.00  0.32           H   new
ATOM     36  N   LYS A   3      -1.507  -2.368   7.754  1.00  0.53           N
ATOM     37  CA  LYS A   3      -0.570  -3.459   8.176  1.00  0.67           C
ATOM     38  C   LYS A   3       0.878  -3.073   7.857  1.00  0.42           C
ATOM     39  O   LYS A   3       1.129  -2.313   6.942  1.00  0.10           O
ATOM     40  CB  LYS A   3      -0.930  -4.741   7.426  1.00  0.85           C
ATOM     41  CG  LYS A   3      -0.514  -5.950   8.266  1.00  1.02           C
ATOM     42  CD  LYS A   3      -0.839  -7.231   7.494  1.00  1.85           C
ATOM     43  CE  LYS A   3      -0.054  -8.398   8.098  1.00  1.85           C
ATOM     44  NZ  LYS A   3      -0.400  -8.574   9.536  1.00  0.77           N
ATOM      0  H   LYS A   3      -1.680  -2.305   6.751  1.00  0.53           H   new
ATOM      0  HA  LYS A   3      -0.662  -3.614   9.251  1.00  0.67           H   new
ATOM      0  HB2 LYS A   3      -2.001  -4.772   7.228  1.00  0.85           H   new
ATOM      0  HB3 LYS A   3      -0.427  -4.764   6.459  1.00  0.85           H   new
ATOM      0  HG2 LYS A   3       0.552  -5.905   8.488  1.00  1.02           H   new
ATOM      0  HG3 LYS A   3      -1.039  -5.943   9.221  1.00  1.02           H   new
ATOM      0  HD2 LYS A   3      -1.909  -7.435   7.539  1.00  1.85           H   new
ATOM      0  HD3 LYS A   3      -0.582  -7.110   6.442  1.00  1.85           H   new
ATOM      0  HE2 LYS A   3      -0.275  -9.314   7.550  1.00  1.85           H   new
ATOM      0  HE3 LYS A   3       1.016  -8.216   7.995  1.00  1.85           H   new
ATOM      0  HZ1 LYS A   3      -0.022  -9.481   9.876  1.00  0.77           H   new
ATOM      0  HZ2 LYS A   3       0.014  -7.797  10.090  1.00  0.77           H   new
ATOM      0  HZ3 LYS A   3      -1.434  -8.567   9.648  1.00  0.77           H   new
ATOM     58  N   GLN A   4       1.796  -3.612   8.621  1.00  0.75           N
ATOM     59  CA  GLN A   4       3.241  -3.296   8.386  1.00  0.63           C
ATOM     60  C   GLN A   4       3.977  -4.533   7.860  1.00  0.50           C
ATOM     61  O   GLN A   4       3.828  -5.619   8.388  1.00  0.69           O
ATOM     62  CB  GLN A   4       3.875  -2.853   9.704  1.00  0.97           C
ATOM     63  CG  GLN A   4       5.290  -2.338   9.431  1.00  0.90           C
ATOM     64  CD  GLN A   4       5.928  -1.887  10.747  1.00  1.71           C
ATOM     65  OE1 GLN A   4       6.266  -0.733  10.921  1.00  1.16           O
ATOM     66  NE2 GLN A   4       6.109  -2.764  11.697  1.00  3.18           N
ATOM      0  H   GLN A   4       1.610  -4.253   9.392  1.00  0.75           H   new
ATOM      0  HA  GLN A   4       3.317  -2.499   7.646  1.00  0.63           H   new
ATOM      0  HB2 GLN A   4       3.273  -2.071  10.167  1.00  0.97           H   new
ATOM      0  HB3 GLN A   4       3.907  -3.687  10.405  1.00  0.97           H   new
ATOM      0  HG2 GLN A   4       5.892  -3.122   8.972  1.00  0.90           H   new
ATOM      0  HG3 GLN A   4       5.257  -1.507   8.726  1.00  0.90           H   new
ATOM      0 HE21 GLN A   4       5.827  -3.734  11.556  1.00  3.18           H   new
ATOM      0 HE22 GLN A   4       6.532  -2.479  12.580  1.00  3.18           H   new
ATOM     75  N   ILE A   5       4.758  -4.339   6.828  1.00  0.25           N
ATOM     76  CA  ILE A   5       5.517  -5.489   6.246  1.00  0.26           C
ATOM     77  C   ILE A   5       6.983  -5.426   6.694  1.00  0.31           C
ATOM     78  O   ILE A   5       7.400  -4.476   7.325  1.00  0.23           O
ATOM     79  CB  ILE A   5       5.447  -5.402   4.715  1.00  0.22           C
ATOM     80  CG1 ILE A   5       3.975  -5.236   4.276  1.00  0.12           C
ATOM     81  CG2 ILE A   5       6.050  -6.675   4.086  1.00  0.49           C
ATOM     82  CD1 ILE A   5       3.113  -6.355   4.877  1.00  0.26           C
ATOM      0  H   ILE A   5       4.903  -3.442   6.365  1.00  0.25           H   new
ATOM      0  HA  ILE A   5       5.081  -6.428   6.588  1.00  0.26           H   new
ATOM      0  HB  ILE A   5       6.021  -4.540   4.375  1.00  0.22           H   new
ATOM      0 HG12 ILE A   5       3.599  -4.265   4.598  1.00  0.12           H   new
ATOM      0 HG13 ILE A   5       3.907  -5.259   3.188  1.00  0.12           H   new
ATOM      0 HG21 ILE A   5       5.996  -6.605   3.000  1.00  0.49           H   new
ATOM      0 HG22 ILE A   5       7.091  -6.774   4.392  1.00  0.49           H   new
ATOM      0 HG23 ILE A   5       5.489  -7.547   4.421  1.00  0.49           H   new
ATOM      0 HD11 ILE A   5       2.078  -6.227   4.560  1.00  0.26           H   new
ATOM      0 HD12 ILE A   5       3.481  -7.322   4.533  1.00  0.26           H   new
ATOM      0 HD13 ILE A   5       3.168  -6.312   5.965  1.00  0.26           H   new
ATOM     94  N   GLU A   6       7.733  -6.442   6.359  1.00  0.45           N
ATOM     95  CA  GLU A   6       9.170  -6.453   6.758  1.00  0.53           C
ATOM     96  C   GLU A   6       9.962  -7.415   5.863  1.00  0.44           C
ATOM     97  O   GLU A   6      11.110  -7.168   5.546  1.00  0.61           O
ATOM     98  CB  GLU A   6       9.278  -6.901   8.214  1.00  0.56           C
ATOM     99  CG  GLU A   6      10.690  -7.429   8.473  1.00  1.91           C
ATOM    100  CD  GLU A   6      10.982  -7.377   9.974  1.00  2.20           C
ATOM    101  OE1 GLU A   6      10.403  -8.199  10.667  1.00  1.63           O
ATOM    102  OE2 GLU A   6      11.768  -6.521  10.344  1.00  3.26           O
ATOM      0  H   GLU A   6       7.417  -7.256   5.832  1.00  0.45           H   new
ATOM      0  HA  GLU A   6       9.583  -5.451   6.645  1.00  0.53           H   new
ATOM      0  HB2 GLU A   6       9.061  -6.067   8.881  1.00  0.56           H   new
ATOM      0  HB3 GLU A   6       8.542  -7.677   8.424  1.00  0.56           H   new
ATOM      0  HG2 GLU A   6      10.781  -8.452   8.109  1.00  1.91           H   new
ATOM      0  HG3 GLU A   6      11.420  -6.831   7.928  1.00  1.91           H   new
ATOM    109  N   SER A   7       9.332  -8.491   5.475  1.00  0.25           N
ATOM    110  CA  SER A   7      10.036  -9.479   4.602  1.00  0.36           C
ATOM    111  C   SER A   7       9.055 -10.090   3.593  1.00  0.43           C
ATOM    112  O   SER A   7       7.875  -9.802   3.619  1.00  0.44           O
ATOM    113  CB  SER A   7      10.626 -10.585   5.474  1.00  0.32           C
ATOM    114  OG  SER A   7       9.574 -10.921   6.368  1.00  0.40           O
ATOM      0  H   SER A   7       8.371  -8.729   5.720  1.00  0.25           H   new
ATOM      0  HA  SER A   7      10.831  -8.972   4.056  1.00  0.36           H   new
ATOM      0  HB2 SER A   7      10.930 -11.444   4.876  1.00  0.32           H   new
ATOM      0  HB3 SER A   7      11.510 -10.241   6.010  1.00  0.32           H   new
ATOM      0  HG  SER A   7       9.872 -11.635   6.970  1.00  0.40           H   new
ATOM    120  N   LYS A   8       9.567 -10.922   2.727  1.00  0.50           N
ATOM    121  CA  LYS A   8       8.679 -11.561   1.709  1.00  0.60           C
ATOM    122  C   LYS A   8       7.683 -12.496   2.391  1.00  0.56           C
ATOM    123  O   LYS A   8       6.508 -12.492   2.082  1.00  0.52           O
ATOM    124  CB  LYS A   8       9.542 -12.355   0.720  1.00  0.84           C
ATOM    125  CG  LYS A   8       8.632 -13.108  -0.265  1.00  1.11           C
ATOM    126  CD  LYS A   8       9.484 -13.733  -1.377  1.00  0.87           C
ATOM    127  CE  LYS A   8       9.010 -13.200  -2.729  1.00  0.94           C
ATOM    128  NZ  LYS A   8       9.737 -13.876  -3.840  1.00  1.46           N
ATOM      0  H   LYS A   8      10.551 -11.186   2.678  1.00  0.50           H   new
ATOM      0  HA  LYS A   8       8.124 -10.788   1.177  1.00  0.60           H   new
ATOM      0  HB2 LYS A   8      10.205 -11.681   0.177  1.00  0.84           H   new
ATOM      0  HB3 LYS A   8      10.175 -13.060   1.258  1.00  0.84           H   new
ATOM      0  HG2 LYS A   8       8.074 -13.884   0.260  1.00  1.11           H   new
ATOM      0  HG3 LYS A   8       7.900 -12.424  -0.695  1.00  1.11           H   new
ATOM      0  HD2 LYS A   8      10.536 -13.492  -1.225  1.00  0.87           H   new
ATOM      0  HD3 LYS A   8       9.399 -14.819  -1.350  1.00  0.87           H   new
ATOM      0  HE2 LYS A   8       7.938 -13.364  -2.835  1.00  0.94           H   new
ATOM      0  HE3 LYS A   8       9.175 -12.124  -2.780  1.00  0.94           H   new
ATOM      0  HZ1 LYS A   8       9.403 -13.502  -4.751  1.00  1.46           H   new
ATOM      0  HZ2 LYS A   8      10.757 -13.698  -3.746  1.00  1.46           H   new
ATOM      0  HZ3 LYS A   8       9.559 -14.900  -3.799  1.00  1.46           H   new
ATOM    142  N   THR A   9       8.175 -13.272   3.301  1.00  0.62           N
ATOM    143  CA  THR A   9       7.280 -14.218   4.018  1.00  0.73           C
ATOM    144  C   THR A   9       6.062 -13.472   4.551  1.00  0.61           C
ATOM    145  O   THR A   9       4.967 -13.996   4.585  1.00  0.71           O
ATOM    146  CB  THR A   9       8.045 -14.851   5.183  1.00  0.83           C
ATOM    147  OG1 THR A   9       9.097 -15.590   4.570  1.00  0.98           O
ATOM    148  CG2 THR A   9       7.197 -15.887   5.915  1.00  1.06           C
ATOM      0  H   THR A   9       9.155 -13.297   3.583  1.00  0.62           H   new
ATOM      0  HA  THR A   9       6.949 -14.997   3.331  1.00  0.73           H   new
ATOM      0  HB  THR A   9       8.357 -14.078   5.885  1.00  0.83           H   new
ATOM      0  HG1 THR A   9       9.636 -16.027   5.262  1.00  0.98           H   new
ATOM      0 HG21 THR A   9       7.773 -16.315   6.735  1.00  1.06           H   new
ATOM      0 HG22 THR A   9       6.301 -15.409   6.311  1.00  1.06           H   new
ATOM      0 HG23 THR A   9       6.910 -16.678   5.222  1.00  1.06           H   new
ATOM    156  N   ALA A  10       6.287 -12.262   4.954  1.00  0.43           N
ATOM    157  CA  ALA A  10       5.170 -11.446   5.490  1.00  0.41           C
ATOM    158  C   ALA A  10       4.296 -10.930   4.346  1.00  0.30           C
ATOM    159  O   ALA A  10       3.103 -11.158   4.324  1.00  0.34           O
ATOM    160  CB  ALA A  10       5.742 -10.264   6.264  1.00  0.37           C
ATOM      0  H   ALA A  10       7.196 -11.800   4.937  1.00  0.43           H   new
ATOM      0  HA  ALA A  10       4.560 -12.063   6.149  1.00  0.41           H   new
ATOM      0  HB1 ALA A  10       4.926  -9.660   6.661  1.00  0.37           H   new
ATOM      0  HB2 ALA A  10       6.356 -10.631   7.087  1.00  0.37           H   new
ATOM      0  HB3 ALA A  10       6.354  -9.655   5.598  1.00  0.37           H   new
ATOM    166  N   PHE A  11       4.908 -10.239   3.420  1.00  0.17           N
ATOM    167  CA  PHE A  11       4.125  -9.707   2.270  1.00  0.07           C
ATOM    168  C   PHE A  11       3.188 -10.794   1.738  1.00  0.10           C
ATOM    169  O   PHE A  11       2.146 -10.507   1.185  1.00  0.05           O
ATOM    170  CB  PHE A  11       5.095  -9.281   1.168  1.00  0.07           C
ATOM    171  CG  PHE A  11       4.322  -8.571   0.055  1.00  0.09           C
ATOM    172  CD1 PHE A  11       3.712  -7.352   0.292  1.00  0.19           C
ATOM    173  CD2 PHE A  11       4.222  -9.140  -1.204  1.00  0.08           C
ATOM    174  CE1 PHE A  11       3.017  -6.712  -0.713  1.00  0.25           C
ATOM    175  CE2 PHE A  11       3.525  -8.498  -2.207  1.00  0.10           C
ATOM    176  CZ  PHE A  11       2.923  -7.285  -1.961  1.00  0.19           C
ATOM      0  H   PHE A  11       5.905 -10.023   3.411  1.00  0.17           H   new
ATOM      0  HA  PHE A  11       3.531  -8.852   2.591  1.00  0.07           H   new
ATOM      0  HB2 PHE A  11       5.857  -8.618   1.576  1.00  0.07           H   new
ATOM      0  HB3 PHE A  11       5.612 -10.153   0.767  1.00  0.07           H   new
ATOM      0  HD1 PHE A  11       3.780  -6.899   1.270  1.00  0.19           H   new
ATOM      0  HD2 PHE A  11       4.692 -10.092  -1.402  1.00  0.08           H   new
ATOM      0  HE1 PHE A  11       2.546  -5.760  -0.520  1.00  0.25           H   new
ATOM      0  HE2 PHE A  11       3.452  -8.948  -3.186  1.00  0.10           H   new
ATOM      0  HZ  PHE A  11       2.377  -6.783  -2.746  1.00  0.19           H   new
ATOM    186  N   GLN A  12       3.587 -12.022   1.922  1.00  0.23           N
ATOM    187  CA  GLN A  12       2.742 -13.155   1.438  1.00  0.30           C
ATOM    188  C   GLN A  12       1.549 -13.374   2.370  1.00  0.34           C
ATOM    189  O   GLN A  12       0.408 -13.286   1.962  1.00  0.40           O
ATOM    190  CB  GLN A  12       3.593 -14.425   1.398  1.00  0.47           C
ATOM    191  CG  GLN A  12       3.692 -14.920  -0.044  1.00  0.64           C
ATOM    192  CD  GLN A  12       2.307 -15.352  -0.527  1.00  1.62           C
ATOM    193  OE1 GLN A  12       1.556 -16.069   0.264  1.00  1.80           O   flip
ATOM    194  NE2 GLN A  12       1.895 -15.041  -1.627  1.00  2.87           N   flip
ATOM      0  H   GLN A  12       4.456 -12.291   2.383  1.00  0.23           H   new
ATOM      0  HA  GLN A  12       2.366 -12.919   0.442  1.00  0.30           H   new
ATOM      0  HB2 GLN A  12       4.588 -14.223   1.794  1.00  0.47           H   new
ATOM      0  HB3 GLN A  12       3.149 -15.195   2.029  1.00  0.47           H   new
ATOM      0  HG2 GLN A  12       4.083 -14.130  -0.685  1.00  0.64           H   new
ATOM      0  HG3 GLN A  12       4.389 -15.756  -0.106  1.00  0.64           H   new
ATOM      0 HE21 GLN A  12       2.477 -14.481  -2.250  1.00  2.87           H   new
ATOM      0 HE22 GLN A  12       0.967 -15.340  -1.927  1.00  2.87           H   new
ATOM    203  N   GLU A  13       1.847 -13.657   3.599  1.00  0.36           N
ATOM    204  CA  GLU A  13       0.757 -13.909   4.592  1.00  0.42           C
ATOM    205  C   GLU A  13      -0.309 -12.810   4.524  1.00  0.36           C
ATOM    206  O   GLU A  13      -1.490 -13.089   4.553  1.00  0.40           O
ATOM    207  CB  GLU A  13       1.359 -13.947   5.998  1.00  0.63           C
ATOM    208  CG  GLU A  13       2.213 -15.210   6.148  1.00  0.58           C
ATOM    209  CD  GLU A  13       2.646 -15.356   7.608  1.00  0.90           C
ATOM    210  OE1 GLU A  13       1.838 -15.872   8.363  1.00  1.21           O
ATOM    211  OE2 GLU A  13       3.760 -14.945   7.886  1.00  1.98           O
ATOM      0  H   GLU A  13       2.796 -13.727   3.967  1.00  0.36           H   new
ATOM      0  HA  GLU A  13       0.284 -14.863   4.358  1.00  0.42           H   new
ATOM      0  HB2 GLU A  13       1.968 -13.060   6.170  1.00  0.63           H   new
ATOM      0  HB3 GLU A  13       0.566 -13.939   6.746  1.00  0.63           H   new
ATOM      0  HG2 GLU A  13       1.645 -16.086   5.836  1.00  0.58           H   new
ATOM      0  HG3 GLU A  13       3.088 -15.150   5.501  1.00  0.58           H   new
ATOM    218  N   ALA A  14       0.127 -11.585   4.435  1.00  0.37           N
ATOM    219  CA  ALA A  14      -0.856 -10.464   4.376  1.00  0.41           C
ATOM    220  C   ALA A  14      -1.839 -10.680   3.224  1.00  0.33           C
ATOM    221  O   ALA A  14      -3.039 -10.626   3.410  1.00  0.42           O
ATOM    222  CB  ALA A  14      -0.106  -9.150   4.168  1.00  0.45           C
ATOM      0  H   ALA A  14       1.109 -11.311   4.401  1.00  0.37           H   new
ATOM      0  HA  ALA A  14      -1.414 -10.429   5.311  1.00  0.41           H   new
ATOM      0  HB1 ALA A  14      -0.819  -8.327   4.124  1.00  0.45           H   new
ATOM      0  HB2 ALA A  14       0.583  -8.989   4.997  1.00  0.45           H   new
ATOM      0  HB3 ALA A  14       0.454  -9.195   3.234  1.00  0.45           H   new
ATOM    228  N   LEU A  15      -1.310 -10.922   2.060  1.00  0.25           N
ATOM    229  CA  LEU A  15      -2.199 -11.143   0.886  1.00  0.25           C
ATOM    230  C   LEU A  15      -2.923 -12.484   1.017  1.00  0.29           C
ATOM    231  O   LEU A  15      -3.872 -12.756   0.306  1.00  0.39           O
ATOM    232  CB  LEU A  15      -1.354 -11.139  -0.383  1.00  0.20           C
ATOM    233  CG  LEU A  15      -0.537  -9.843  -0.442  1.00  0.11           C
ATOM    234  CD1 LEU A  15       0.401  -9.900  -1.645  1.00  0.19           C
ATOM    235  CD2 LEU A  15      -1.477  -8.640  -0.593  1.00  0.17           C
ATOM      0  H   LEU A  15      -0.309 -10.976   1.870  1.00  0.25           H   new
ATOM      0  HA  LEU A  15      -2.942 -10.347   0.840  1.00  0.25           H   new
ATOM      0  HB2 LEU A  15      -0.689 -12.003  -0.394  1.00  0.20           H   new
ATOM      0  HB3 LEU A  15      -1.995 -11.219  -1.261  1.00  0.20           H   new
ATOM      0  HG  LEU A  15       0.039  -9.736   0.477  1.00  0.11           H   new
ATOM      0 HD11 LEU A  15       0.986  -8.982  -1.694  1.00  0.19           H   new
ATOM      0 HD12 LEU A  15       1.072 -10.753  -1.543  1.00  0.19           H   new
ATOM      0 HD13 LEU A  15      -0.185 -10.007  -2.558  1.00  0.19           H   new
ATOM      0 HD21 LEU A  15      -0.890  -7.722  -0.634  1.00  0.17           H   new
ATOM      0 HD22 LEU A  15      -2.055  -8.743  -1.512  1.00  0.17           H   new
ATOM      0 HD23 LEU A  15      -2.155  -8.599   0.259  1.00  0.17           H   new
ATOM    247  N   ASP A  16      -2.460 -13.295   1.924  1.00  0.25           N
ATOM    248  CA  ASP A  16      -3.109 -14.623   2.123  1.00  0.34           C
ATOM    249  C   ASP A  16      -4.134 -14.539   3.251  1.00  0.38           C
ATOM    250  O   ASP A  16      -5.040 -15.343   3.336  1.00  0.47           O
ATOM    251  CB  ASP A  16      -2.042 -15.656   2.477  1.00  0.34           C
ATOM    252  CG  ASP A  16      -2.516 -17.044   2.041  1.00  0.61           C
ATOM    253  OD1 ASP A  16      -2.281 -17.359   0.886  1.00  1.51           O
ATOM    254  OD2 ASP A  16      -3.087 -17.712   2.888  1.00  0.41           O
ATOM      0  H   ASP A  16      -1.666 -13.100   2.534  1.00  0.25           H   new
ATOM      0  HA  ASP A  16      -3.616 -14.918   1.204  1.00  0.34           H   new
ATOM      0  HB2 ASP A  16      -1.102 -15.409   1.983  1.00  0.34           H   new
ATOM      0  HB3 ASP A  16      -1.851 -15.645   3.550  1.00  0.34           H   new
ATOM    259  N   ALA A  17      -3.965 -13.560   4.093  1.00  0.34           N
ATOM    260  CA  ALA A  17      -4.918 -13.387   5.229  1.00  0.42           C
ATOM    261  C   ALA A  17      -5.905 -12.266   4.905  1.00  0.49           C
ATOM    262  O   ALA A  17      -6.786 -11.960   5.685  1.00  0.53           O
ATOM    263  CB  ALA A  17      -4.131 -13.027   6.486  1.00  0.38           C
ATOM      0  H   ALA A  17      -3.212 -12.873   4.047  1.00  0.34           H   new
ATOM      0  HA  ALA A  17      -5.470 -14.313   5.391  1.00  0.42           H   new
ATOM      0  HB1 ALA A  17      -4.819 -12.899   7.322  1.00  0.38           H   new
ATOM      0  HB2 ALA A  17      -3.426 -13.826   6.716  1.00  0.38           H   new
ATOM      0  HB3 ALA A  17      -3.585 -12.099   6.320  1.00  0.38           H   new
ATOM    269  N   ALA A  18      -5.733 -11.678   3.754  1.00  0.52           N
ATOM    270  CA  ALA A  18      -6.638 -10.567   3.347  1.00  0.59           C
ATOM    271  C   ALA A  18      -7.784 -11.099   2.485  1.00  0.75           C
ATOM    272  O   ALA A  18      -8.345 -10.378   1.684  1.00  1.17           O
ATOM    273  CB  ALA A  18      -5.834  -9.546   2.543  1.00  0.42           C
ATOM      0  H   ALA A  18      -5.007 -11.918   3.079  1.00  0.52           H   new
ATOM      0  HA  ALA A  18      -7.058 -10.102   4.239  1.00  0.59           H   new
ATOM      0  HB1 ALA A  18      -6.486  -8.727   2.239  1.00  0.42           H   new
ATOM      0  HB2 ALA A  18      -5.024  -9.155   3.158  1.00  0.42           H   new
ATOM      0  HB3 ALA A  18      -5.418 -10.026   1.657  1.00  0.42           H   new
ATOM    279  N   GLY A  19      -8.113 -12.348   2.668  1.00  0.53           N
ATOM    280  CA  GLY A  19      -9.216 -12.936   1.858  1.00  0.64           C
ATOM    281  C   GLY A  19      -9.058 -12.537   0.390  1.00  0.55           C
ATOM    282  O   GLY A  19      -8.147 -12.979  -0.281  1.00  0.51           O
ATOM      0  H   GLY A  19      -7.672 -12.981   3.335  1.00  0.53           H   new
ATOM      0  HA2 GLY A  19      -9.207 -14.022   1.951  1.00  0.64           H   new
ATOM      0  HA3 GLY A  19     -10.179 -12.591   2.235  1.00  0.64           H   new
ATOM    286  N   ASP A  20      -9.951 -11.709  -0.077  1.00  0.57           N
ATOM    287  CA  ASP A  20      -9.861 -11.260  -1.501  1.00  0.52           C
ATOM    288  C   ASP A  20     -10.291  -9.793  -1.629  1.00  0.43           C
ATOM    289  O   ASP A  20     -10.283  -9.236  -2.710  1.00  0.47           O
ATOM    290  CB  ASP A  20     -10.769 -12.136  -2.363  1.00  0.73           C
ATOM    291  CG  ASP A  20     -11.411 -13.215  -1.490  1.00  0.70           C
ATOM    292  OD1 ASP A  20     -12.439 -12.902  -0.910  1.00  1.13           O
ATOM    293  OD2 ASP A  20     -10.839 -14.292  -1.451  1.00  1.84           O
ATOM      0  H   ASP A  20     -10.732 -11.326   0.456  1.00  0.57           H   new
ATOM      0  HA  ASP A  20      -8.828 -11.352  -1.837  1.00  0.52           H   new
ATOM      0  HB2 ASP A  20     -11.541 -11.527  -2.834  1.00  0.73           H   new
ATOM      0  HB3 ASP A  20     -10.193 -12.597  -3.166  1.00  0.73           H   new
ATOM    298  N   LYS A  21     -10.659  -9.197  -0.526  1.00  0.40           N
ATOM    299  CA  LYS A  21     -11.085  -7.769  -0.576  1.00  0.31           C
ATOM    300  C   LYS A  21      -9.970  -6.918  -1.187  1.00  0.26           C
ATOM    301  O   LYS A  21      -8.831  -7.334  -1.235  1.00  0.29           O
ATOM    302  CB  LYS A  21     -11.375  -7.285   0.843  1.00  0.34           C
ATOM    303  CG  LYS A  21     -12.543  -8.088   1.420  1.00  0.37           C
ATOM    304  CD  LYS A  21     -12.828  -7.607   2.846  1.00  0.68           C
ATOM    305  CE  LYS A  21     -13.845  -6.464   2.795  1.00  2.45           C
ATOM    306  NZ  LYS A  21     -15.138  -6.941   2.229  1.00  3.23           N
ATOM      0  H   LYS A  21     -10.683  -9.631   0.397  1.00  0.40           H   new
ATOM      0  HA  LYS A  21     -11.982  -7.677  -1.189  1.00  0.31           H   new
ATOM      0  HB2 LYS A  21     -10.491  -7.406   1.469  1.00  0.34           H   new
ATOM      0  HB3 LYS A  21     -11.617  -6.222   0.835  1.00  0.34           H   new
ATOM      0  HG2 LYS A  21     -13.429  -7.963   0.797  1.00  0.37           H   new
ATOM      0  HG3 LYS A  21     -12.303  -9.151   1.423  1.00  0.37           H   new
ATOM      0  HD2 LYS A  21     -13.215  -8.428   3.450  1.00  0.68           H   new
ATOM      0  HD3 LYS A  21     -11.906  -7.270   3.320  1.00  0.68           H   new
ATOM      0  HE2 LYS A  21     -14.005  -6.066   3.797  1.00  2.45           H   new
ATOM      0  HE3 LYS A  21     -13.454  -5.648   2.187  1.00  2.45           H   new
ATOM      0  HZ1 LYS A  21     -15.910  -6.713   2.887  1.00  3.23           H   new
ATOM      0  HZ2 LYS A  21     -15.311  -6.473   1.317  1.00  3.23           H   new
ATOM      0  HZ3 LYS A  21     -15.096  -7.970   2.088  1.00  3.23           H   new
ATOM    320  N   LEU A  22     -10.313  -5.744  -1.638  1.00  0.21           N
ATOM    321  CA  LEU A  22      -9.270  -4.866  -2.243  1.00  0.19           C
ATOM    322  C   LEU A  22      -8.093  -4.721  -1.273  1.00  0.17           C
ATOM    323  O   LEU A  22      -8.286  -4.548  -0.084  1.00  0.17           O
ATOM    324  CB  LEU A  22      -9.880  -3.477  -2.524  1.00  0.20           C
ATOM    325  CG  LEU A  22      -9.953  -3.186  -4.040  1.00  0.52           C
ATOM    326  CD1 LEU A  22      -8.559  -3.342  -4.667  1.00  1.48           C
ATOM    327  CD2 LEU A  22     -10.953  -4.145  -4.715  1.00  1.96           C
ATOM      0  H   LEU A  22     -11.257  -5.357  -1.616  1.00  0.21           H   new
ATOM      0  HA  LEU A  22      -8.915  -5.308  -3.174  1.00  0.19           H   new
ATOM      0  HB2 LEU A  22     -10.880  -3.424  -2.094  1.00  0.20           H   new
ATOM      0  HB3 LEU A  22      -9.281  -2.710  -2.034  1.00  0.20           H   new
ATOM      0  HG  LEU A  22     -10.296  -2.163  -4.191  1.00  0.52           H   new
ATOM      0 HD11 LEU A  22      -8.616  -3.136  -5.736  1.00  1.48           H   new
ATOM      0 HD12 LEU A  22      -7.869  -2.641  -4.198  1.00  1.48           H   new
ATOM      0 HD13 LEU A  22      -8.202  -4.360  -4.512  1.00  1.48           H   new
ATOM      0 HD21 LEU A  22     -10.997  -3.932  -5.783  1.00  1.96           H   new
ATOM      0 HD22 LEU A  22     -10.629  -5.175  -4.564  1.00  1.96           H   new
ATOM      0 HD23 LEU A  22     -11.941  -4.008  -4.276  1.00  1.96           H   new
ATOM    339  N   VAL A  23      -6.899  -4.795  -1.807  1.00  0.17           N
ATOM    340  CA  VAL A  23      -5.685  -4.669  -0.940  1.00  0.17           C
ATOM    341  C   VAL A  23      -4.750  -3.616  -1.547  1.00  0.19           C
ATOM    342  O   VAL A  23      -4.057  -3.885  -2.508  1.00  0.27           O
ATOM    343  CB  VAL A  23      -4.970  -6.040  -0.897  1.00  0.20           C
ATOM    344  CG1 VAL A  23      -4.086  -6.166   0.361  1.00  0.15           C
ATOM    345  CG2 VAL A  23      -6.021  -7.158  -0.886  1.00  0.26           C
ATOM      0  H   VAL A  23      -6.712  -4.936  -2.800  1.00  0.17           H   new
ATOM      0  HA  VAL A  23      -5.963  -4.367   0.070  1.00  0.17           H   new
ATOM      0  HB  VAL A  23      -4.334  -6.124  -1.778  1.00  0.20           H   new
ATOM      0 HG11 VAL A  23      -3.596  -7.139   0.365  1.00  0.15           H   new
ATOM      0 HG12 VAL A  23      -3.331  -5.380   0.356  1.00  0.15           H   new
ATOM      0 HG13 VAL A  23      -4.706  -6.068   1.252  1.00  0.15           H   new
ATOM      0 HG21 VAL A  23      -5.522  -8.126  -0.856  1.00  0.26           H   new
ATOM      0 HG22 VAL A  23      -6.658  -7.050  -0.008  1.00  0.26           H   new
ATOM      0 HG23 VAL A  23      -6.631  -7.092  -1.787  1.00  0.26           H   new
ATOM    355  N   VAL A  24      -4.746  -2.438  -0.968  1.00  0.13           N
ATOM    356  CA  VAL A  24      -3.878  -1.349  -1.525  1.00  0.16           C
ATOM    357  C   VAL A  24      -2.629  -1.133  -0.661  1.00  0.22           C
ATOM    358  O   VAL A  24      -2.725  -0.875   0.524  1.00  0.43           O
ATOM    359  CB  VAL A  24      -4.684  -0.057  -1.585  1.00  0.17           C
ATOM    360  CG1 VAL A  24      -3.802   1.049  -2.159  1.00  0.18           C
ATOM    361  CG2 VAL A  24      -5.893  -0.262  -2.500  1.00  0.14           C
ATOM      0  H   VAL A  24      -5.296  -2.185  -0.147  1.00  0.13           H   new
ATOM      0  HA  VAL A  24      -3.551  -1.642  -2.523  1.00  0.16           H   new
ATOM      0  HB  VAL A  24      -5.022   0.218  -0.586  1.00  0.17           H   new
ATOM      0 HG11 VAL A  24      -4.369   1.979  -2.207  1.00  0.18           H   new
ATOM      0 HG12 VAL A  24      -2.930   1.188  -1.520  1.00  0.18           H   new
ATOM      0 HG13 VAL A  24      -3.476   0.771  -3.161  1.00  0.18           H   new
ATOM      0 HG21 VAL A  24      -6.474   0.659  -2.547  1.00  0.14           H   new
ATOM      0 HG22 VAL A  24      -5.551  -0.527  -3.501  1.00  0.14           H   new
ATOM      0 HG23 VAL A  24      -6.516  -1.064  -2.105  1.00  0.14           H   new
ATOM    371  N   VAL A  25      -1.482  -1.221  -1.288  1.00  0.07           N
ATOM    372  CA  VAL A  25      -0.204  -1.037  -0.539  1.00  0.11           C
ATOM    373  C   VAL A  25       0.322   0.385  -0.716  1.00  0.17           C
ATOM    374  O   VAL A  25      -0.035   1.070  -1.652  1.00  0.37           O
ATOM    375  CB  VAL A  25       0.828  -2.015  -1.093  1.00  0.12           C
ATOM    376  CG1 VAL A  25       1.839  -2.384  -0.004  1.00  0.55           C
ATOM    377  CG2 VAL A  25       0.117  -3.276  -1.569  1.00  0.63           C
ATOM      0  H   VAL A  25      -1.377  -1.412  -2.284  1.00  0.07           H   new
ATOM      0  HA  VAL A  25      -0.382  -1.218   0.521  1.00  0.11           H   new
ATOM      0  HB  VAL A  25       1.355  -1.548  -1.925  1.00  0.12           H   new
ATOM      0 HG11 VAL A  25       2.571  -3.082  -0.409  1.00  0.55           H   new
ATOM      0 HG12 VAL A  25       2.348  -1.484   0.340  1.00  0.55           H   new
ATOM      0 HG13 VAL A  25       1.318  -2.849   0.833  1.00  0.55           H   new
ATOM      0 HG21 VAL A  25       0.849  -3.979  -1.966  1.00  0.63           H   new
ATOM      0 HG22 VAL A  25      -0.409  -3.735  -0.732  1.00  0.63           H   new
ATOM      0 HG23 VAL A  25      -0.598  -3.018  -2.350  1.00  0.63           H   new
ATOM    387  N   ASP A  26       1.165   0.792   0.198  1.00  0.05           N
ATOM    388  CA  ASP A  26       1.759   2.158   0.109  1.00  0.04           C
ATOM    389  C   ASP A  26       3.282   2.054   0.199  1.00  0.07           C
ATOM    390  O   ASP A  26       3.859   2.182   1.263  1.00  0.15           O
ATOM    391  CB  ASP A  26       1.237   3.012   1.259  1.00  0.03           C
ATOM    392  CG  ASP A  26       1.953   4.364   1.251  1.00  0.07           C
ATOM    393  OD1 ASP A  26       2.004   4.943   0.179  1.00  1.10           O
ATOM    394  OD2 ASP A  26       2.408   4.742   2.318  1.00  1.27           O
ATOM      0  H   ASP A  26       1.467   0.238   1.000  1.00  0.05           H   new
ATOM      0  HA  ASP A  26       1.481   2.618  -0.839  1.00  0.04           H   new
ATOM      0  HB2 ASP A  26       0.161   3.157   1.160  1.00  0.03           H   new
ATOM      0  HB3 ASP A  26       1.404   2.505   2.209  1.00  0.03           H   new
ATOM    399  N   PHE A  27       3.898   1.811  -0.921  1.00  0.04           N
ATOM    400  CA  PHE A  27       5.382   1.689  -0.937  1.00  0.05           C
ATOM    401  C   PHE A  27       6.029   3.071  -0.804  1.00  0.02           C
ATOM    402  O   PHE A  27       6.161   3.795  -1.771  1.00  0.02           O
ATOM    403  CB  PHE A  27       5.800   1.046  -2.253  1.00  0.07           C
ATOM    404  CG  PHE A  27       5.490  -0.454  -2.209  1.00  0.12           C
ATOM    405  CD1 PHE A  27       6.372  -1.333  -1.603  1.00  0.15           C
ATOM    406  CD2 PHE A  27       4.324  -0.954  -2.772  1.00  0.14           C
ATOM    407  CE1 PHE A  27       6.099  -2.684  -1.567  1.00  0.20           C
ATOM    408  CE2 PHE A  27       4.057  -2.311  -2.729  1.00  0.19           C
ATOM    409  CZ  PHE A  27       4.944  -3.171  -2.128  1.00  0.21           C
ATOM      0  H   PHE A  27       3.441   1.692  -1.825  1.00  0.04           H   new
ATOM      0  HA  PHE A  27       5.710   1.074  -0.099  1.00  0.05           H   new
ATOM      0  HB2 PHE A  27       5.270   1.514  -3.083  1.00  0.07           H   new
ATOM      0  HB3 PHE A  27       6.865   1.203  -2.425  1.00  0.07           H   new
ATOM      0  HD1 PHE A  27       7.280  -0.958  -1.155  1.00  0.15           H   new
ATOM      0  HD2 PHE A  27       3.623  -0.282  -3.245  1.00  0.14           H   new
ATOM      0  HE1 PHE A  27       6.796  -3.362  -1.096  1.00  0.20           H   new
ATOM      0  HE2 PHE A  27       3.149  -2.695  -3.169  1.00  0.19           H   new
ATOM      0  HZ  PHE A  27       4.733  -4.230  -2.097  1.00  0.21           H   new
ATOM    419  N   SER A  28       6.419   3.406   0.396  1.00  0.05           N
ATOM    420  CA  SER A  28       7.056   4.738   0.616  1.00  0.08           C
ATOM    421  C   SER A  28       8.087   4.650   1.748  1.00  0.12           C
ATOM    422  O   SER A  28       8.323   3.591   2.296  1.00  0.18           O
ATOM    423  CB  SER A  28       5.975   5.748   0.992  1.00  0.15           C
ATOM    424  OG  SER A  28       5.913   5.680   2.408  1.00  0.67           O
ATOM      0  H   SER A  28       6.326   2.822   1.227  1.00  0.05           H   new
ATOM      0  HA  SER A  28       7.561   5.052  -0.297  1.00  0.08           H   new
ATOM      0  HB2 SER A  28       6.232   6.751   0.652  1.00  0.15           H   new
ATOM      0  HB3 SER A  28       5.017   5.493   0.539  1.00  0.15           H   new
ATOM      0  HG  SER A  28       5.235   6.307   2.736  1.00  0.67           H   new
ATOM    430  N   ALA A  29       8.679   5.767   2.074  1.00  0.13           N
ATOM    431  CA  ALA A  29       9.698   5.767   3.167  1.00  0.17           C
ATOM    432  C   ALA A  29       9.057   6.193   4.494  1.00  0.17           C
ATOM    433  O   ALA A  29       8.335   7.168   4.553  1.00  0.21           O
ATOM    434  CB  ALA A  29      10.815   6.745   2.806  1.00  0.26           C
ATOM      0  H   ALA A  29       8.505   6.672   1.637  1.00  0.13           H   new
ATOM      0  HA  ALA A  29      10.102   4.761   3.280  1.00  0.17           H   new
ATOM      0  HB1 ALA A  29      11.563   6.751   3.599  1.00  0.26           H   new
ATOM      0  HB2 ALA A  29      11.280   6.436   1.870  1.00  0.26           H   new
ATOM      0  HB3 ALA A  29      10.399   7.746   2.692  1.00  0.26           H   new
ATOM    440  N   THR A  30       9.339   5.451   5.532  1.00  0.15           N
ATOM    441  CA  THR A  30       8.758   5.800   6.863  1.00  0.20           C
ATOM    442  C   THR A  30       9.756   6.636   7.666  1.00  0.24           C
ATOM    443  O   THR A  30       9.429   7.180   8.702  1.00  0.59           O
ATOM    444  CB  THR A  30       8.440   4.512   7.627  1.00  0.34           C
ATOM    445  OG1 THR A  30       7.471   4.896   8.598  1.00  0.64           O
ATOM    446  CG2 THR A  30       9.644   4.024   8.429  1.00  0.46           C
ATOM      0  H   THR A  30       9.940   4.627   5.518  1.00  0.15           H   new
ATOM      0  HA  THR A  30       7.846   6.378   6.718  1.00  0.20           H   new
ATOM      0  HB  THR A  30       8.129   3.733   6.930  1.00  0.34           H   new
ATOM      0  HG1 THR A  30       7.665   5.804   8.912  1.00  0.64           H   new
ATOM      0 HG21 THR A  30       9.382   3.108   8.958  1.00  0.46           H   new
ATOM      0 HG22 THR A  30      10.476   3.827   7.753  1.00  0.46           H   new
ATOM      0 HG23 THR A  30       9.935   4.788   9.149  1.00  0.46           H   new
ATOM    454  N   TRP A  31      10.952   6.717   7.165  1.00  0.32           N
ATOM    455  CA  TRP A  31      11.999   7.508   7.869  1.00  0.26           C
ATOM    456  C   TRP A  31      12.074   8.918   7.277  1.00  0.16           C
ATOM    457  O   TRP A  31      12.163   9.894   7.993  1.00  0.12           O
ATOM    458  CB  TRP A  31      13.336   6.809   7.672  1.00  0.26           C
ATOM    459  CG  TRP A  31      13.553   6.603   6.174  1.00  0.17           C
ATOM    460  CD1 TRP A  31      13.141   5.530   5.504  1.00  0.12           C
ATOM    461  CD2 TRP A  31      14.138   7.469   5.365  1.00  0.15           C
ATOM    462  NE1 TRP A  31      13.506   5.787   4.240  1.00  0.09           N
ATOM    463  CE2 TRP A  31      14.140   6.994   4.065  1.00  0.14           C
ATOM    464  CE3 TRP A  31      14.694   8.713   5.635  1.00  0.20           C
ATOM    465  CZ2 TRP A  31      14.690   7.745   3.053  1.00  0.22           C
ATOM    466  CZ3 TRP A  31      15.245   9.461   4.614  1.00  0.23           C
ATOM    467  CH2 TRP A  31      15.243   8.977   3.325  1.00  0.25           C
ATOM      0  H   TRP A  31      11.253   6.271   6.299  1.00  0.32           H   new
ATOM      0  HA  TRP A  31      11.758   7.583   8.929  1.00  0.26           H   new
ATOM      0  HB2 TRP A  31      14.143   7.408   8.094  1.00  0.26           H   new
ATOM      0  HB3 TRP A  31      13.344   5.851   8.192  1.00  0.26           H   new
ATOM      0  HD1 TRP A  31      12.633   4.658   5.888  1.00  0.12           H   new
ATOM      0  HE1 TRP A  31      13.328   5.140   3.472  1.00  0.09           H   new
ATOM      0  HE3 TRP A  31      14.695   9.095   6.645  1.00  0.20           H   new
ATOM      0  HZ2 TRP A  31      14.688   7.368   2.041  1.00  0.22           H   new
ATOM      0  HZ3 TRP A  31      15.678  10.427   4.827  1.00  0.23           H   new
ATOM      0  HH2 TRP A  31      15.675   9.563   2.527  1.00  0.25           H   new
ATOM    478  N   CYS A  32      12.033   8.988   5.974  1.00  0.14           N
ATOM    479  CA  CYS A  32      12.105  10.319   5.307  1.00  0.16           C
ATOM    480  C   CYS A  32      10.993  11.235   5.833  1.00  0.24           C
ATOM    481  O   CYS A  32      10.132  10.806   6.576  1.00  0.27           O
ATOM    482  CB  CYS A  32      11.944  10.132   3.802  1.00  0.26           C
ATOM    483  SG  CYS A  32      12.289  11.560   2.746  1.00  0.77           S
ATOM      0  H   CYS A  32      11.953   8.188   5.347  1.00  0.14           H   new
ATOM      0  HA  CYS A  32      13.070  10.778   5.523  1.00  0.16           H   new
ATOM      0  HB2 CYS A  32      12.598   9.317   3.492  1.00  0.26           H   new
ATOM      0  HB3 CYS A  32      10.921   9.810   3.610  1.00  0.26           H   new
ATOM      0  HG  CYS A  32      11.959  11.283   1.520  1.00  0.77           H   new
ATOM    489  N   GLY A  33      11.036  12.478   5.431  1.00  0.31           N
ATOM    490  CA  GLY A  33       9.993  13.444   5.897  1.00  0.41           C
ATOM    491  C   GLY A  33       8.894  13.641   4.833  1.00  0.46           C
ATOM    492  O   GLY A  33       7.765  13.234   5.024  1.00  0.48           O
ATOM      0  H   GLY A  33      11.742  12.866   4.805  1.00  0.31           H   new
ATOM      0  HA2 GLY A  33       9.545  13.080   6.822  1.00  0.41           H   new
ATOM      0  HA3 GLY A  33      10.458  14.403   6.124  1.00  0.41           H   new
ATOM    496  N   PRO A  34       9.256  14.271   3.732  1.00  0.48           N
ATOM    497  CA  PRO A  34       8.307  14.530   2.636  1.00  0.55           C
ATOM    498  C   PRO A  34       7.560  13.255   2.221  1.00  0.53           C
ATOM    499  O   PRO A  34       6.434  13.317   1.768  1.00  0.56           O
ATOM    500  CB  PRO A  34       9.167  15.056   1.481  1.00  0.57           C
ATOM    501  CG  PRO A  34      10.600  15.297   2.046  1.00  0.50           C
ATOM    502  CD  PRO A  34      10.622  14.765   3.491  1.00  0.45           C
ATOM      0  HA  PRO A  34       7.537  15.241   2.936  1.00  0.55           H   new
ATOM      0  HB2 PRO A  34       9.192  14.337   0.662  1.00  0.57           H   new
ATOM      0  HB3 PRO A  34       8.751  15.981   1.081  1.00  0.57           H   new
ATOM      0  HG2 PRO A  34      11.344  14.784   1.437  1.00  0.50           H   new
ATOM      0  HG3 PRO A  34      10.848  16.358   2.024  1.00  0.50           H   new
ATOM      0  HD2 PRO A  34      11.357  13.968   3.608  1.00  0.45           H   new
ATOM      0  HD3 PRO A  34      10.889  15.551   4.198  1.00  0.45           H   new
ATOM    510  N   CYS A  35       8.196  12.127   2.378  1.00  0.48           N
ATOM    511  CA  CYS A  35       7.519  10.855   1.991  1.00  0.48           C
ATOM    512  C   CYS A  35       6.495  10.453   3.059  1.00  0.47           C
ATOM    513  O   CYS A  35       5.503   9.817   2.761  1.00  0.54           O
ATOM    514  CB  CYS A  35       8.564   9.751   1.842  1.00  0.51           C
ATOM    515  SG  CYS A  35      10.138  10.199   1.069  1.00  0.61           S
ATOM      0  H   CYS A  35       9.140  12.029   2.751  1.00  0.48           H   new
ATOM      0  HA  CYS A  35       7.000  11.001   1.044  1.00  0.48           H   new
ATOM      0  HB2 CYS A  35       8.777   9.351   2.834  1.00  0.51           H   new
ATOM      0  HB3 CYS A  35       8.120   8.943   1.261  1.00  0.51           H   new
ATOM      0  HG  CYS A  35      10.908  10.766   1.950  1.00  0.61           H   new
ATOM    521  N   LYS A  36       6.757  10.832   4.282  1.00  0.48           N
ATOM    522  CA  LYS A  36       5.806  10.483   5.372  1.00  0.47           C
ATOM    523  C   LYS A  36       4.782  11.611   5.558  1.00  0.47           C
ATOM    524  O   LYS A  36       3.873  11.503   6.351  1.00  0.43           O
ATOM    525  CB  LYS A  36       6.585  10.278   6.673  1.00  0.52           C
ATOM    526  CG  LYS A  36       5.605   9.903   7.791  1.00  0.57           C
ATOM    527  CD  LYS A  36       6.361   9.193   8.915  1.00  0.65           C
ATOM    528  CE  LYS A  36       7.433  10.133   9.476  1.00  1.33           C
ATOM    529  NZ  LYS A  36       8.703   9.994   8.710  1.00  2.72           N
ATOM      0  H   LYS A  36       7.580  11.362   4.569  1.00  0.48           H   new
ATOM      0  HA  LYS A  36       5.278   9.566   5.110  1.00  0.47           H   new
ATOM      0  HB2 LYS A  36       7.329   9.492   6.546  1.00  0.52           H   new
ATOM      0  HB3 LYS A  36       7.125  11.188   6.936  1.00  0.52           H   new
ATOM      0  HG2 LYS A  36       5.116  10.798   8.176  1.00  0.57           H   new
ATOM      0  HG3 LYS A  36       4.821   9.255   7.400  1.00  0.57           H   new
ATOM      0  HD2 LYS A  36       5.670   8.899   9.705  1.00  0.65           H   new
ATOM      0  HD3 LYS A  36       6.822   8.280   8.539  1.00  0.65           H   new
ATOM      0  HE2 LYS A  36       7.083  11.164   9.426  1.00  1.33           H   new
ATOM      0  HE3 LYS A  36       7.609   9.906  10.528  1.00  1.33           H   new
ATOM      0  HZ1 LYS A  36       9.509  10.196   9.335  1.00  2.72           H   new
ATOM      0  HZ2 LYS A  36       8.783   9.024   8.344  1.00  2.72           H   new
ATOM      0  HZ3 LYS A  36       8.704  10.665   7.916  1.00  2.72           H   new
ATOM    543  N   MET A  37       4.951  12.671   4.817  1.00  0.53           N
ATOM    544  CA  MET A  37       3.997  13.813   4.946  1.00  0.57           C
ATOM    545  C   MET A  37       2.612  13.413   4.430  1.00  0.46           C
ATOM    546  O   MET A  37       1.604  13.789   4.995  1.00  0.37           O
ATOM    547  CB  MET A  37       4.519  14.994   4.132  1.00  0.71           C
ATOM    548  CG  MET A  37       4.679  16.206   5.049  1.00  0.64           C
ATOM    549  SD  MET A  37       3.184  16.863   5.828  1.00  1.22           S
ATOM    550  CE  MET A  37       3.619  18.617   5.716  1.00  0.88           C
ATOM      0  H   MET A  37       5.699  12.798   4.135  1.00  0.53           H   new
ATOM      0  HA  MET A  37       3.913  14.090   5.997  1.00  0.57           H   new
ATOM      0  HB2 MET A  37       5.475  14.741   3.674  1.00  0.71           H   new
ATOM      0  HB3 MET A  37       3.828  15.225   3.321  1.00  0.71           H   new
ATOM      0  HG2 MET A  37       5.382  15.940   5.839  1.00  0.64           H   new
ATOM      0  HG3 MET A  37       5.138  17.008   4.471  1.00  0.64           H   new
ATOM      0  HE1 MET A  37       2.819  19.219   6.148  1.00  0.88           H   new
ATOM      0  HE2 MET A  37       4.544  18.798   6.263  1.00  0.88           H   new
ATOM      0  HE3 MET A  37       3.756  18.892   4.670  1.00  0.88           H   new
ATOM    560  N   ILE A  38       2.592  12.664   3.364  1.00  0.59           N
ATOM    561  CA  ILE A  38       1.278  12.234   2.795  1.00  0.49           C
ATOM    562  C   ILE A  38       0.772  10.969   3.509  1.00  0.47           C
ATOM    563  O   ILE A  38      -0.383  10.624   3.417  1.00  0.28           O
ATOM    564  CB  ILE A  38       1.452  11.998   1.277  1.00  0.57           C
ATOM    565  CG1 ILE A  38       0.595  13.027   0.525  1.00  1.54           C
ATOM    566  CG2 ILE A  38       1.007  10.576   0.873  1.00  1.03           C
ATOM    567  CD1 ILE A  38       0.829  12.897  -0.985  1.00  2.20           C
ATOM      0  H   ILE A  38       3.417  12.332   2.864  1.00  0.59           H   new
ATOM      0  HA  ILE A  38       0.529  13.011   2.950  1.00  0.49           H   new
ATOM      0  HB  ILE A  38       2.507  12.106   1.023  1.00  0.57           H   new
ATOM      0 HG12 ILE A  38      -0.459  12.871   0.753  1.00  1.54           H   new
ATOM      0 HG13 ILE A  38       0.847  14.035   0.856  1.00  1.54           H   new
ATOM      0 HG21 ILE A  38       1.142  10.444  -0.200  1.00  1.03           H   new
ATOM      0 HG22 ILE A  38       1.608   9.841   1.408  1.00  1.03           H   new
ATOM      0 HG23 ILE A  38      -0.044  10.438   1.126  1.00  1.03           H   new
ATOM      0 HD11 ILE A  38       0.218  13.630  -1.512  1.00  2.20           H   new
ATOM      0 HD12 ILE A  38       1.881  13.075  -1.207  1.00  2.20           H   new
ATOM      0 HD13 ILE A  38       0.554  11.894  -1.311  1.00  2.20           H   new
ATOM    579  N   LYS A  39       1.644  10.311   4.211  1.00  1.04           N
ATOM    580  CA  LYS A  39       1.213   9.079   4.931  1.00  1.13           C
ATOM    581  C   LYS A  39      -0.057   9.324   5.786  1.00  1.02           C
ATOM    582  O   LYS A  39      -1.036   8.639   5.616  1.00  0.94           O
ATOM    583  CB  LYS A  39       2.347   8.582   5.818  1.00  1.43           C
ATOM    584  CG  LYS A  39       2.920   7.290   5.225  1.00  2.39           C
ATOM    585  CD  LYS A  39       4.058   6.791   6.117  1.00  2.73           C
ATOM    586  CE  LYS A  39       4.370   5.336   5.764  1.00  3.48           C
ATOM    587  NZ  LYS A  39       5.633   4.899   6.423  1.00  3.93           N
ATOM      0  H   LYS A  39       2.626  10.565   4.320  1.00  1.04           H   new
ATOM      0  HA  LYS A  39       0.967   8.324   4.184  1.00  1.13           H   new
ATOM      0  HB2 LYS A  39       3.127   9.340   5.891  1.00  1.43           H   new
ATOM      0  HB3 LYS A  39       1.982   8.402   6.829  1.00  1.43           H   new
ATOM      0  HG2 LYS A  39       2.140   6.532   5.151  1.00  2.39           H   new
ATOM      0  HG3 LYS A  39       3.286   7.470   4.214  1.00  2.39           H   new
ATOM      0  HD2 LYS A  39       4.944   7.410   5.977  1.00  2.73           H   new
ATOM      0  HD3 LYS A  39       3.776   6.871   7.167  1.00  2.73           H   new
ATOM      0  HE2 LYS A  39       3.547   4.694   6.080  1.00  3.48           H   new
ATOM      0  HE3 LYS A  39       4.461   5.229   4.683  1.00  3.48           H   new
ATOM      0  HZ1 LYS A  39       5.561   3.894   6.679  1.00  3.93           H   new
ATOM      0  HZ2 LYS A  39       6.430   5.034   5.769  1.00  3.93           H   new
ATOM      0  HZ3 LYS A  39       5.790   5.464   7.282  1.00  3.93           H   new
ATOM    601  N   PRO A  40      -0.025  10.305   6.691  1.00  1.13           N
ATOM    602  CA  PRO A  40      -1.185  10.584   7.553  1.00  1.20           C
ATOM    603  C   PRO A  40      -2.497  10.623   6.754  1.00  0.99           C
ATOM    604  O   PRO A  40      -3.567  10.533   7.323  1.00  1.28           O
ATOM    605  CB  PRO A  40      -0.885  11.937   8.203  1.00  1.35           C
ATOM    606  CG  PRO A  40       0.605  12.269   7.900  1.00  1.40           C
ATOM    607  CD  PRO A  40       1.125  11.202   6.914  1.00  1.30           C
ATOM      0  HA  PRO A  40      -1.327   9.799   8.296  1.00  1.20           H   new
ATOM      0  HB2 PRO A  40      -1.541  12.710   7.803  1.00  1.35           H   new
ATOM      0  HB3 PRO A  40      -1.060  11.895   9.278  1.00  1.35           H   new
ATOM      0  HG2 PRO A  40       0.696  13.266   7.469  1.00  1.40           H   new
ATOM      0  HG3 PRO A  40       1.194  12.263   8.817  1.00  1.40           H   new
ATOM      0  HD2 PRO A  40       1.460  11.655   5.981  1.00  1.30           H   new
ATOM      0  HD3 PRO A  40       1.975  10.660   7.329  1.00  1.30           H   new
ATOM    615  N   PHE A  41      -2.397  10.755   5.459  1.00  0.57           N
ATOM    616  CA  PHE A  41      -3.646  10.777   4.638  1.00  0.45           C
ATOM    617  C   PHE A  41      -4.009   9.344   4.221  1.00  0.34           C
ATOM    618  O   PHE A  41      -5.165   8.970   4.218  1.00  0.37           O
ATOM    619  CB  PHE A  41      -3.436  11.648   3.397  1.00  0.33           C
ATOM    620  CG  PHE A  41      -3.411  13.121   3.815  1.00  0.51           C
ATOM    621  CD1 PHE A  41      -2.288  13.661   4.416  1.00  0.45           C
ATOM    622  CD2 PHE A  41      -4.513  13.931   3.597  1.00  0.75           C
ATOM    623  CE1 PHE A  41      -2.268  14.989   4.792  1.00  0.63           C
ATOM    624  CE2 PHE A  41      -4.489  15.258   3.974  1.00  0.91           C
ATOM    625  CZ  PHE A  41      -3.367  15.786   4.571  1.00  0.85           C
ATOM      0  H   PHE A  41      -1.524  10.847   4.940  1.00  0.57           H   new
ATOM      0  HA  PHE A  41      -4.461  11.196   5.228  1.00  0.45           H   new
ATOM      0  HB2 PHE A  41      -2.501  11.381   2.905  1.00  0.33           H   new
ATOM      0  HB3 PHE A  41      -4.236  11.475   2.677  1.00  0.33           H   new
ATOM      0  HD1 PHE A  41      -1.422  13.040   4.592  1.00  0.45           H   new
ATOM      0  HD2 PHE A  41      -5.396  13.522   3.129  1.00  0.75           H   new
ATOM      0  HE1 PHE A  41      -1.388  15.403   5.261  1.00  0.63           H   new
ATOM      0  HE2 PHE A  41      -5.352  15.883   3.800  1.00  0.91           H   new
ATOM      0  HZ  PHE A  41      -3.349  16.825   4.866  1.00  0.85           H   new
ATOM    635  N   PHE A  42      -3.007   8.577   3.876  1.00  0.21           N
ATOM    636  CA  PHE A  42      -3.267   7.158   3.479  1.00  0.11           C
ATOM    637  C   PHE A  42      -3.312   6.284   4.731  1.00  0.25           C
ATOM    638  O   PHE A  42      -3.769   5.159   4.702  1.00  0.46           O
ATOM    639  CB  PHE A  42      -2.135   6.674   2.569  1.00  0.14           C
ATOM    640  CG  PHE A  42      -2.253   5.156   2.375  1.00  0.10           C
ATOM    641  CD1 PHE A  42      -3.099   4.641   1.410  1.00  0.12           C
ATOM    642  CD2 PHE A  42      -1.518   4.279   3.164  1.00  0.05           C
ATOM    643  CE1 PHE A  42      -3.209   3.277   1.234  1.00  0.09           C
ATOM    644  CE2 PHE A  42      -1.634   2.915   2.984  1.00  0.01           C
ATOM    645  CZ  PHE A  42      -2.478   2.417   2.021  1.00  0.04           C
ATOM      0  H   PHE A  42      -2.029   8.866   3.851  1.00  0.21           H   new
ATOM      0  HA  PHE A  42      -4.218   7.093   2.951  1.00  0.11           H   new
ATOM      0  HB2 PHE A  42      -2.186   7.180   1.605  1.00  0.14           H   new
ATOM      0  HB3 PHE A  42      -1.169   6.922   3.008  1.00  0.14           H   new
ATOM      0  HD1 PHE A  42      -3.677   5.311   0.790  1.00  0.12           H   new
ATOM      0  HD2 PHE A  42      -0.853   4.666   3.922  1.00  0.05           H   new
ATOM      0  HE1 PHE A  42      -3.871   2.883   0.477  1.00  0.09           H   new
ATOM      0  HE2 PHE A  42      -1.061   2.239   3.601  1.00  0.01           H   new
ATOM      0  HZ  PHE A  42      -2.568   1.350   1.882  1.00  0.04           H   new
ATOM    655  N   HIS A  43      -2.829   6.835   5.805  1.00  0.15           N
ATOM    656  CA  HIS A  43      -2.801   6.084   7.086  1.00  0.28           C
ATOM    657  C   HIS A  43      -4.135   6.252   7.822  1.00  0.36           C
ATOM    658  O   HIS A  43      -4.586   5.360   8.512  1.00  0.54           O
ATOM    659  CB  HIS A  43      -1.664   6.641   7.943  1.00  0.25           C
ATOM    660  CG  HIS A  43      -1.344   5.662   9.068  1.00  0.39           C
ATOM    661  ND1 HIS A  43      -2.132   4.793   9.506  1.00  0.43           N
ATOM    662  CD2 HIS A  43      -0.184   5.516   9.808  1.00  0.50           C
ATOM    663  CE1 HIS A  43      -1.600   4.114  10.437  1.00  0.54           C
ATOM    664  NE2 HIS A  43      -0.352   4.506  10.701  1.00  0.60           N
ATOM      0  H   HIS A  43      -2.449   7.781   5.851  1.00  0.15           H   new
ATOM      0  HA  HIS A  43      -2.643   5.023   6.893  1.00  0.28           H   new
ATOM      0  HB2 HIS A  43      -0.779   6.806   7.328  1.00  0.25           H   new
ATOM      0  HB3 HIS A  43      -1.948   7.608   8.359  1.00  0.25           H   new
ATOM      0  HD1 HIS A  43      -3.080   4.649   9.159  1.00  0.43           H   new
ATOM      0  HD2 HIS A  43       0.711   6.110   9.694  1.00  0.50           H   new
ATOM      0  HE1 HIS A  43      -2.100   3.310  10.957  1.00  0.54           H   new
ATOM    672  N   SER A  44      -4.736   7.400   7.655  1.00  0.48           N
ATOM    673  CA  SER A  44      -6.038   7.657   8.337  1.00  0.57           C
ATOM    674  C   SER A  44      -7.134   6.773   7.744  1.00  0.58           C
ATOM    675  O   SER A  44      -8.136   6.511   8.379  1.00  0.81           O
ATOM    676  CB  SER A  44      -6.414   9.127   8.160  1.00  0.63           C
ATOM    677  OG  SER A  44      -5.939   9.752   9.342  1.00  1.91           O
ATOM      0  H   SER A  44      -4.385   8.166   7.080  1.00  0.48           H   new
ATOM      0  HA  SER A  44      -5.938   7.424   9.397  1.00  0.57           H   new
ATOM      0  HB2 SER A  44      -5.950   9.553   7.270  1.00  0.63           H   new
ATOM      0  HB3 SER A  44      -7.491   9.252   8.048  1.00  0.63           H   new
ATOM      0  HG  SER A  44      -6.141  10.710   9.309  1.00  1.91           H   new
ATOM    683  N   LEU A  45      -6.921   6.333   6.541  1.00  0.39           N
ATOM    684  CA  LEU A  45      -7.943   5.461   5.891  1.00  0.39           C
ATOM    685  C   LEU A  45      -8.118   4.176   6.704  1.00  0.40           C
ATOM    686  O   LEU A  45      -9.010   3.391   6.448  1.00  0.41           O
ATOM    687  CB  LEU A  45      -7.481   5.110   4.477  1.00  0.41           C
ATOM    688  CG  LEU A  45      -7.068   6.390   3.746  1.00  0.47           C
ATOM    689  CD1 LEU A  45      -6.669   6.042   2.310  1.00  0.34           C
ATOM    690  CD2 LEU A  45      -8.251   7.360   3.716  1.00  0.55           C
ATOM      0  H   LEU A  45      -6.093   6.534   5.980  1.00  0.39           H   new
ATOM      0  HA  LEU A  45      -8.895   5.990   5.846  1.00  0.39           H   new
ATOM      0  HB2 LEU A  45      -6.643   4.415   4.518  1.00  0.41           H   new
ATOM      0  HB3 LEU A  45      -8.283   4.610   3.934  1.00  0.41           H   new
ATOM      0  HG  LEU A  45      -6.227   6.852   4.263  1.00  0.47           H   new
ATOM      0 HD11 LEU A  45      -6.374   6.950   1.784  1.00  0.34           H   new
ATOM      0 HD12 LEU A  45      -5.833   5.343   2.324  1.00  0.34           H   new
ATOM      0 HD13 LEU A  45      -7.516   5.585   1.798  1.00  0.34           H   new
ATOM      0 HD21 LEU A  45      -7.960   8.273   3.196  1.00  0.55           H   new
ATOM      0 HD22 LEU A  45      -9.088   6.896   3.194  1.00  0.55           H   new
ATOM      0 HD23 LEU A  45      -8.548   7.603   4.736  1.00  0.55           H   new
ATOM    702  N   SER A  46      -7.260   3.993   7.669  1.00  0.39           N
ATOM    703  CA  SER A  46      -7.355   2.768   8.514  1.00  0.40           C
ATOM    704  C   SER A  46      -8.750   2.663   9.142  1.00  0.37           C
ATOM    705  O   SER A  46      -9.297   1.585   9.264  1.00  0.36           O
ATOM    706  CB  SER A  46      -6.305   2.844   9.622  1.00  0.38           C
ATOM    707  OG  SER A  46      -7.007   2.449  10.791  1.00  0.91           O
ATOM      0  H   SER A  46      -6.502   4.633   7.909  1.00  0.39           H   new
ATOM      0  HA  SER A  46      -7.181   1.890   7.893  1.00  0.40           H   new
ATOM      0  HB2 SER A  46      -5.463   2.182   9.420  1.00  0.38           H   new
ATOM      0  HB3 SER A  46      -5.901   3.852   9.721  1.00  0.38           H   new
ATOM      0  HG  SER A  46      -7.149   3.229  11.367  1.00  0.91           H   new
ATOM    713  N   GLU A  47      -9.294   3.790   9.524  1.00  0.41           N
ATOM    714  CA  GLU A  47     -10.651   3.782  10.151  1.00  0.39           C
ATOM    715  C   GLU A  47     -11.711   4.229   9.138  1.00  0.36           C
ATOM    716  O   GLU A  47     -12.797   3.687   9.091  1.00  0.30           O
ATOM    717  CB  GLU A  47     -10.654   4.740  11.342  1.00  0.58           C
ATOM    718  CG  GLU A  47      -9.688   4.219  12.408  1.00  0.69           C
ATOM    719  CD  GLU A  47      -8.642   5.294  12.710  1.00  1.71           C
ATOM    720  OE1 GLU A  47      -9.033   6.274  13.323  1.00  1.82           O
ATOM    721  OE2 GLU A  47      -7.509   5.074  12.312  1.00  3.24           O
ATOM      0  H   GLU A  47      -8.862   4.709   9.430  1.00  0.41           H   new
ATOM      0  HA  GLU A  47     -10.886   2.770  10.481  1.00  0.39           H   new
ATOM      0  HB2 GLU A  47     -10.357   5.739  11.022  1.00  0.58           H   new
ATOM      0  HB3 GLU A  47     -11.659   4.823  11.755  1.00  0.58           H   new
ATOM      0  HG2 GLU A  47     -10.234   3.961  13.315  1.00  0.69           H   new
ATOM      0  HG3 GLU A  47      -9.201   3.308  12.060  1.00  0.69           H   new
ATOM    728  N   LYS A  48     -11.372   5.212   8.349  1.00  0.52           N
ATOM    729  CA  LYS A  48     -12.352   5.710   7.338  1.00  0.65           C
ATOM    730  C   LYS A  48     -12.886   4.548   6.494  1.00  0.58           C
ATOM    731  O   LYS A  48     -14.062   4.247   6.522  1.00  0.64           O
ATOM    732  CB  LYS A  48     -11.666   6.723   6.432  1.00  0.81           C
ATOM    733  CG  LYS A  48     -12.682   7.792   6.023  1.00  0.99           C
ATOM    734  CD  LYS A  48     -12.752   8.867   7.110  1.00  1.76           C
ATOM    735  CE  LYS A  48     -14.158   9.470   7.131  1.00  1.94           C
ATOM    736  NZ  LYS A  48     -15.147   8.471   7.621  1.00  2.66           N
ATOM      0  H   LYS A  48     -10.470   5.688   8.358  1.00  0.52           H   new
ATOM      0  HA  LYS A  48     -13.188   6.180   7.855  1.00  0.65           H   new
ATOM      0  HB2 LYS A  48     -10.824   7.182   6.950  1.00  0.81           H   new
ATOM      0  HB3 LYS A  48     -11.265   6.227   5.548  1.00  0.81           H   new
ATOM      0  HG2 LYS A  48     -12.393   8.239   5.072  1.00  0.99           H   new
ATOM      0  HG3 LYS A  48     -13.664   7.341   5.878  1.00  0.99           H   new
ATOM      0  HD2 LYS A  48     -12.514   8.435   8.082  1.00  1.76           H   new
ATOM      0  HD3 LYS A  48     -12.013   9.644   6.918  1.00  1.76           H   new
ATOM      0  HE2 LYS A  48     -14.173  10.350   7.774  1.00  1.94           H   new
ATOM      0  HE3 LYS A  48     -14.433   9.801   6.130  1.00  1.94           H   new
ATOM      0  HZ1 LYS A  48     -15.927   8.962   8.103  1.00  2.66           H   new
ATOM      0  HZ2 LYS A  48     -15.523   7.931   6.816  1.00  2.66           H   new
ATOM      0  HZ3 LYS A  48     -14.683   7.821   8.287  1.00  2.66           H   new
ATOM    750  N   TYR A  49     -12.008   3.921   5.759  1.00  0.52           N
ATOM    751  CA  TYR A  49     -12.450   2.778   4.908  1.00  0.50           C
ATOM    752  C   TYR A  49     -12.254   1.455   5.653  1.00  0.36           C
ATOM    753  O   TYR A  49     -11.156   0.942   5.733  1.00  0.32           O
ATOM    754  CB  TYR A  49     -11.626   2.764   3.621  1.00  0.52           C
ATOM    755  CG  TYR A  49     -12.259   3.713   2.603  1.00  0.59           C
ATOM    756  CD1 TYR A  49     -13.276   3.279   1.777  1.00  0.61           C
ATOM    757  CD2 TYR A  49     -11.822   5.018   2.496  1.00  0.64           C
ATOM    758  CE1 TYR A  49     -13.847   4.137   0.859  1.00  0.67           C
ATOM    759  CE2 TYR A  49     -12.394   5.875   1.579  1.00  0.71           C
ATOM    760  CZ  TYR A  49     -13.410   5.441   0.753  1.00  0.72           C
ATOM    761  OH  TYR A  49     -13.980   6.298  -0.166  1.00  0.79           O
ATOM      0  H   TYR A  49     -11.014   4.147   5.710  1.00  0.52           H   new
ATOM      0  HA  TYR A  49     -13.508   2.896   4.672  1.00  0.50           H   new
ATOM      0  HB2 TYR A  49     -10.600   3.068   3.829  1.00  0.52           H   new
ATOM      0  HB3 TYR A  49     -11.583   1.753   3.215  1.00  0.52           H   new
ATOM      0  HD1 TYR A  49     -13.628   2.260   1.850  1.00  0.61           H   new
ATOM      0  HD2 TYR A  49     -11.026   5.371   3.135  1.00  0.64           H   new
ATOM      0  HE1 TYR A  49     -14.642   3.785   0.219  1.00  0.67           H   new
ATOM      0  HE2 TYR A  49     -12.044   6.894   1.507  1.00  0.71           H   new
ATOM      0  HH  TYR A  49     -13.551   7.177  -0.103  1.00  0.79           H   new
ATOM    771  N   SER A  50     -13.325   0.932   6.183  1.00  0.35           N
ATOM    772  CA  SER A  50     -13.217  -0.358   6.927  1.00  0.35           C
ATOM    773  C   SER A  50     -13.549  -1.530   5.999  1.00  0.53           C
ATOM    774  O   SER A  50     -13.405  -2.679   6.369  1.00  0.62           O
ATOM    775  CB  SER A  50     -14.197  -0.343   8.098  1.00  0.33           C
ATOM    776  OG  SER A  50     -15.471  -0.484   7.487  1.00  0.32           O
ATOM      0  H   SER A  50     -14.261   1.335   6.135  1.00  0.35           H   new
ATOM      0  HA  SER A  50     -12.198  -0.477   7.296  1.00  0.35           H   new
ATOM      0  HB2 SER A  50     -13.997  -1.157   8.795  1.00  0.33           H   new
ATOM      0  HB3 SER A  50     -14.127   0.586   8.664  1.00  0.33           H   new
ATOM      0  HG  SER A  50     -16.167  -0.486   8.177  1.00  0.32           H   new
ATOM    782  N   ASN A  51     -13.984  -1.213   4.811  1.00  0.62           N
ATOM    783  CA  ASN A  51     -14.331  -2.295   3.844  1.00  0.80           C
ATOM    784  C   ASN A  51     -13.127  -2.611   2.950  1.00  0.71           C
ATOM    785  O   ASN A  51     -13.262  -3.253   1.927  1.00  1.01           O
ATOM    786  CB  ASN A  51     -15.500  -1.831   2.975  1.00  0.98           C
ATOM    787  CG  ASN A  51     -15.991  -3.002   2.122  1.00  1.22           C
ATOM    788  OD1 ASN A  51     -16.585  -3.938   2.617  1.00  0.98           O
ATOM    789  ND2 ASN A  51     -15.767  -2.987   0.837  1.00  2.23           N
ATOM      0  H   ASN A  51     -14.114  -0.261   4.469  1.00  0.62           H   new
ATOM      0  HA  ASN A  51     -14.608  -3.194   4.395  1.00  0.80           H   new
ATOM      0  HB2 ASN A  51     -16.310  -1.459   3.603  1.00  0.98           H   new
ATOM      0  HB3 ASN A  51     -15.187  -1.006   2.335  1.00  0.98           H   new
ATOM      0 HD21 ASN A  51     -16.090  -3.759   0.254  1.00  2.23           H   new
ATOM      0 HD22 ASN A  51     -15.269  -2.203   0.415  1.00  2.23           H   new
ATOM    796  N   VAL A  52     -11.973  -2.154   3.357  1.00  0.30           N
ATOM    797  CA  VAL A  52     -10.750  -2.417   2.541  1.00  0.19           C
ATOM    798  C   VAL A  52      -9.543  -2.633   3.455  1.00  0.16           C
ATOM    799  O   VAL A  52      -9.517  -2.151   4.571  1.00  0.18           O
ATOM    800  CB  VAL A  52     -10.485  -1.212   1.637  1.00  0.18           C
ATOM    801  CG1 VAL A  52      -9.344  -1.546   0.668  1.00  0.15           C
ATOM    802  CG2 VAL A  52     -11.752  -0.888   0.842  1.00  0.27           C
ATOM      0  H   VAL A  52     -11.824  -1.615   4.210  1.00  0.30           H   new
ATOM      0  HA  VAL A  52     -10.906  -3.312   1.939  1.00  0.19           H   new
ATOM      0  HB  VAL A  52     -10.206  -0.351   2.245  1.00  0.18           H   new
ATOM      0 HG11 VAL A  52      -9.153  -0.689   0.022  1.00  0.15           H   new
ATOM      0 HG12 VAL A  52      -8.443  -1.782   1.234  1.00  0.15           H   new
ATOM      0 HG13 VAL A  52      -9.624  -2.405   0.058  1.00  0.15           H   new
ATOM      0 HG21 VAL A  52     -11.567  -0.029   0.196  1.00  0.27           H   new
ATOM      0 HG22 VAL A  52     -12.029  -1.748   0.232  1.00  0.27           H   new
ATOM      0 HG23 VAL A  52     -12.564  -0.656   1.531  1.00  0.27           H   new
ATOM    812  N   ILE A  53      -8.565  -3.351   2.961  1.00  0.14           N
ATOM    813  CA  ILE A  53      -7.346  -3.601   3.785  1.00  0.14           C
ATOM    814  C   ILE A  53      -6.198  -2.727   3.285  1.00  0.09           C
ATOM    815  O   ILE A  53      -6.006  -2.571   2.090  1.00  0.09           O
ATOM    816  CB  ILE A  53      -6.964  -5.072   3.685  1.00  0.20           C
ATOM    817  CG1 ILE A  53      -7.947  -5.890   4.529  1.00  0.35           C
ATOM    818  CG2 ILE A  53      -5.547  -5.264   4.226  1.00  0.20           C
ATOM    819  CD1 ILE A  53      -8.063  -7.297   3.951  1.00  0.84           C
ATOM      0  H   ILE A  53      -8.559  -3.771   2.031  1.00  0.14           H   new
ATOM      0  HA  ILE A  53      -7.551  -3.352   4.826  1.00  0.14           H   new
ATOM      0  HB  ILE A  53      -7.001  -5.400   2.646  1.00  0.20           H   new
ATOM      0 HG12 ILE A  53      -7.604  -5.937   5.563  1.00  0.35           H   new
ATOM      0 HG13 ILE A  53      -8.924  -5.407   4.539  1.00  0.35           H   new
ATOM      0 HG21 ILE A  53      -5.270  -6.316   4.156  1.00  0.20           H   new
ATOM      0 HG22 ILE A  53      -4.850  -4.665   3.640  1.00  0.20           H   new
ATOM      0 HG23 ILE A  53      -5.510  -4.948   5.268  1.00  0.20           H   new
ATOM      0 HD11 ILE A  53      -8.762  -7.880   4.550  1.00  0.84           H   new
ATOM      0 HD12 ILE A  53      -8.425  -7.240   2.924  1.00  0.84           H   new
ATOM      0 HD13 ILE A  53      -7.085  -7.778   3.964  1.00  0.84           H   new
ATOM    831  N   PHE A  54      -5.458  -2.177   4.214  1.00  0.13           N
ATOM    832  CA  PHE A  54      -4.328  -1.281   3.829  1.00  0.10           C
ATOM    833  C   PHE A  54      -3.004  -1.788   4.401  1.00  0.13           C
ATOM    834  O   PHE A  54      -2.960  -2.357   5.472  1.00  0.30           O
ATOM    835  CB  PHE A  54      -4.612   0.110   4.381  1.00  0.06           C
ATOM    836  CG  PHE A  54      -5.906   0.643   3.762  1.00  0.05           C
ATOM    837  CD1 PHE A  54      -5.877   1.350   2.574  1.00  0.10           C
ATOM    838  CD2 PHE A  54      -7.122   0.420   4.382  1.00  0.06           C
ATOM    839  CE1 PHE A  54      -7.046   1.829   2.017  1.00  0.14           C
ATOM    840  CE2 PHE A  54      -8.290   0.898   3.823  1.00  0.08           C
ATOM    841  CZ  PHE A  54      -8.251   1.602   2.643  1.00  0.13           C
ATOM      0  H   PHE A  54      -5.587  -2.309   5.217  1.00  0.13           H   new
ATOM      0  HA  PHE A  54      -4.243  -1.261   2.742  1.00  0.10           H   new
ATOM      0  HB2 PHE A  54      -4.703   0.072   5.467  1.00  0.06           H   new
ATOM      0  HB3 PHE A  54      -3.783   0.781   4.154  1.00  0.06           H   new
ATOM      0  HD1 PHE A  54      -4.934   1.529   2.079  1.00  0.10           H   new
ATOM      0  HD2 PHE A  54      -7.158  -0.132   5.310  1.00  0.06           H   new
ATOM      0  HE1 PHE A  54      -7.015   2.382   1.090  1.00  0.14           H   new
ATOM      0  HE2 PHE A  54      -9.235   0.719   4.313  1.00  0.08           H   new
ATOM      0  HZ  PHE A  54      -9.165   1.977   2.207  1.00  0.13           H   new
ATOM    851  N   LEU A  55      -1.955  -1.579   3.655  1.00  0.16           N
ATOM    852  CA  LEU A  55      -0.607  -2.003   4.128  1.00  0.16           C
ATOM    853  C   LEU A  55       0.404  -0.889   3.830  1.00  0.07           C
ATOM    854  O   LEU A  55       0.199  -0.088   2.937  1.00  0.19           O
ATOM    855  CB  LEU A  55      -0.175  -3.279   3.400  1.00  0.23           C
ATOM    856  CG  LEU A  55      -1.403  -4.163   3.113  1.00  0.41           C
ATOM    857  CD1 LEU A  55      -2.167  -3.636   1.895  1.00  0.53           C
ATOM    858  CD2 LEU A  55      -0.933  -5.579   2.803  1.00  0.47           C
ATOM      0  H   LEU A  55      -1.973  -1.133   2.738  1.00  0.16           H   new
ATOM      0  HA  LEU A  55      -0.647  -2.196   5.200  1.00  0.16           H   new
ATOM      0  HB2 LEU A  55       0.325  -3.023   2.466  1.00  0.23           H   new
ATOM      0  HB3 LEU A  55       0.545  -3.828   4.007  1.00  0.23           H   new
ATOM      0  HG  LEU A  55      -2.055  -4.151   3.986  1.00  0.41           H   new
ATOM      0 HD11 LEU A  55      -3.032  -4.271   1.705  1.00  0.53           H   new
ATOM      0 HD12 LEU A  55      -2.501  -2.617   2.088  1.00  0.53           H   new
ATOM      0 HD13 LEU A  55      -1.512  -3.644   1.023  1.00  0.53           H   new
ATOM      0 HD21 LEU A  55      -1.796  -6.212   2.598  1.00  0.47           H   new
ATOM      0 HD22 LEU A  55      -0.280  -5.563   1.930  1.00  0.47           H   new
ATOM      0 HD23 LEU A  55      -0.386  -5.976   3.658  1.00  0.47           H   new
ATOM    870  N   GLU A  56       1.472  -0.868   4.578  1.00  0.19           N
ATOM    871  CA  GLU A  56       2.516   0.187   4.358  1.00  0.14           C
ATOM    872  C   GLU A  56       3.908  -0.456   4.346  1.00  0.13           C
ATOM    873  O   GLU A  56       4.317  -1.064   5.316  1.00  0.16           O
ATOM    874  CB  GLU A  56       2.438   1.222   5.485  1.00  0.29           C
ATOM    875  CG  GLU A  56       2.881   0.577   6.799  1.00  2.12           C
ATOM    876  CD  GLU A  56       2.232   1.315   7.971  1.00  2.56           C
ATOM    877  OE1 GLU A  56       2.196   2.533   7.889  1.00  1.84           O
ATOM    878  OE2 GLU A  56       1.808   0.621   8.880  1.00  3.85           O
ATOM      0  H   GLU A  56       1.672  -1.529   5.329  1.00  0.19           H   new
ATOM      0  HA  GLU A  56       2.340   0.677   3.400  1.00  0.14           H   new
ATOM      0  HB2 GLU A  56       3.074   2.076   5.254  1.00  0.29           H   new
ATOM      0  HB3 GLU A  56       1.419   1.599   5.577  1.00  0.29           H   new
ATOM      0  HG2 GLU A  56       2.596  -0.475   6.815  1.00  2.12           H   new
ATOM      0  HG3 GLU A  56       3.967   0.615   6.888  1.00  2.12           H   new
ATOM    885  N   VAL A  57       4.608  -0.310   3.247  1.00  0.16           N
ATOM    886  CA  VAL A  57       5.975  -0.920   3.156  1.00  0.18           C
ATOM    887  C   VAL A  57       7.056   0.155   3.294  1.00  0.19           C
ATOM    888  O   VAL A  57       6.951   1.225   2.726  1.00  0.16           O
ATOM    889  CB  VAL A  57       6.134  -1.612   1.802  1.00  0.18           C
ATOM    890  CG1 VAL A  57       7.611  -1.960   1.591  1.00  0.32           C
ATOM    891  CG2 VAL A  57       5.304  -2.895   1.787  1.00  0.27           C
ATOM      0  H   VAL A  57       4.299   0.198   2.418  1.00  0.16           H   new
ATOM      0  HA  VAL A  57       6.087  -1.642   3.965  1.00  0.18           H   new
ATOM      0  HB  VAL A  57       5.792  -0.950   1.006  1.00  0.18           H   new
ATOM      0 HG11 VAL A  57       7.734  -2.454   0.627  1.00  0.32           H   new
ATOM      0 HG12 VAL A  57       8.206  -1.047   1.609  1.00  0.32           H   new
ATOM      0 HG13 VAL A  57       7.945  -2.627   2.386  1.00  0.32           H   new
ATOM      0 HG21 VAL A  57       5.416  -3.390   0.822  1.00  0.27           H   new
ATOM      0 HG22 VAL A  57       5.649  -3.561   2.578  1.00  0.27           H   new
ATOM      0 HG23 VAL A  57       4.254  -2.651   1.950  1.00  0.27           H   new
ATOM    901  N   ASP A  58       8.074  -0.157   4.049  1.00  0.24           N
ATOM    902  CA  ASP A  58       9.183   0.822   4.232  1.00  0.26           C
ATOM    903  C   ASP A  58      10.338   0.473   3.285  1.00  0.27           C
ATOM    904  O   ASP A  58      10.919  -0.590   3.379  1.00  0.24           O
ATOM    905  CB  ASP A  58       9.670   0.758   5.678  1.00  0.30           C
ATOM    906  CG  ASP A  58      10.636   1.916   5.943  1.00  0.31           C
ATOM    907  OD1 ASP A  58      10.668   2.798   5.100  1.00  1.22           O
ATOM    908  OD2 ASP A  58      11.288   1.853   6.972  1.00  1.25           O
ATOM      0  H   ASP A  58       8.186  -1.042   4.544  1.00  0.24           H   new
ATOM      0  HA  ASP A  58       8.827   1.828   4.008  1.00  0.26           H   new
ATOM      0  HB2 ASP A  58       8.823   0.814   6.361  1.00  0.30           H   new
ATOM      0  HB3 ASP A  58      10.167  -0.194   5.864  1.00  0.30           H   new
ATOM    913  N   VAL A  59      10.643   1.374   2.392  1.00  0.33           N
ATOM    914  CA  VAL A  59      11.753   1.102   1.430  1.00  0.35           C
ATOM    915  C   VAL A  59      13.109   1.236   2.131  1.00  0.38           C
ATOM    916  O   VAL A  59      14.066   1.714   1.553  1.00  0.60           O
ATOM    917  CB  VAL A  59      11.671   2.099   0.276  1.00  0.35           C
ATOM    918  CG1 VAL A  59      10.430   1.790  -0.564  1.00  0.27           C
ATOM    919  CG2 VAL A  59      11.557   3.518   0.840  1.00  0.34           C
ATOM      0  H   VAL A  59      10.180   2.276   2.285  1.00  0.33           H   new
ATOM      0  HA  VAL A  59      11.656   0.085   1.049  1.00  0.35           H   new
ATOM      0  HB  VAL A  59      12.565   2.022  -0.342  1.00  0.35           H   new
ATOM      0 HG11 VAL A  59      10.364   2.498  -1.390  1.00  0.27           H   new
ATOM      0 HG12 VAL A  59      10.501   0.777  -0.959  1.00  0.27           H   new
ATOM      0 HG13 VAL A  59       9.539   1.875   0.058  1.00  0.27           H   new
ATOM      0 HG21 VAL A  59      11.498   4.232   0.019  1.00  0.34           H   new
ATOM      0 HG22 VAL A  59      10.659   3.595   1.453  1.00  0.34           H   new
ATOM      0 HG23 VAL A  59      12.433   3.738   1.451  1.00  0.34           H   new
ATOM    929  N   ASP A  60      13.157   0.808   3.364  1.00  0.27           N
ATOM    930  CA  ASP A  60      14.436   0.885   4.129  1.00  0.32           C
ATOM    931  C   ASP A  60      14.655  -0.419   4.901  1.00  0.52           C
ATOM    932  O   ASP A  60      15.747  -0.951   4.931  1.00  0.74           O
ATOM    933  CB  ASP A  60      14.365   2.055   5.110  1.00  0.20           C
ATOM    934  CG  ASP A  60      15.782   2.532   5.432  1.00  0.29           C
ATOM    935  OD1 ASP A  60      16.493   1.747   6.038  1.00  0.52           O
ATOM    936  OD2 ASP A  60      16.074   3.654   5.054  1.00  1.08           O
ATOM      0  H   ASP A  60      12.369   0.409   3.874  1.00  0.27           H   new
ATOM      0  HA  ASP A  60      15.266   1.035   3.438  1.00  0.32           H   new
ATOM      0  HB2 ASP A  60      13.784   2.870   4.680  1.00  0.20           H   new
ATOM      0  HB3 ASP A  60      13.856   1.748   6.024  1.00  0.20           H   new
ATOM    941  N   ASP A  61      13.601  -0.905   5.505  1.00  0.52           N
ATOM    942  CA  ASP A  61      13.711  -2.178   6.278  1.00  0.77           C
ATOM    943  C   ASP A  61      13.117  -3.333   5.465  1.00  0.74           C
ATOM    944  O   ASP A  61      13.197  -4.479   5.860  1.00  1.02           O
ATOM    945  CB  ASP A  61      12.943  -2.031   7.590  1.00  0.91           C
ATOM    946  CG  ASP A  61      13.111  -3.305   8.421  1.00  1.08           C
ATOM    947  OD1 ASP A  61      14.178  -3.438   8.998  1.00  1.30           O
ATOM    948  OD2 ASP A  61      12.164  -4.073   8.432  1.00  1.53           O
ATOM      0  H   ASP A  61      12.675  -0.478   5.497  1.00  0.52           H   new
ATOM      0  HA  ASP A  61      14.760  -2.390   6.484  1.00  0.77           H   new
ATOM      0  HB2 ASP A  61      13.312  -1.169   8.146  1.00  0.91           H   new
ATOM      0  HB3 ASP A  61      11.887  -1.852   7.388  1.00  0.91           H   new
ATOM    953  N   CYS A  62      12.534  -2.998   4.343  1.00  0.40           N
ATOM    954  CA  CYS A  62      11.923  -4.053   3.477  1.00  0.35           C
ATOM    955  C   CYS A  62      12.280  -3.799   2.010  1.00  0.36           C
ATOM    956  O   CYS A  62      11.547  -4.174   1.116  1.00  0.31           O
ATOM    957  CB  CYS A  62      10.406  -4.017   3.646  1.00  0.32           C
ATOM    958  SG  CYS A  62       9.749  -3.145   5.089  1.00  0.49           S
ATOM      0  H   CYS A  62      12.454  -2.045   3.989  1.00  0.40           H   new
ATOM      0  HA  CYS A  62      12.307  -5.030   3.770  1.00  0.35           H   new
ATOM      0  HB2 CYS A  62       9.978  -3.561   2.753  1.00  0.32           H   new
ATOM      0  HB3 CYS A  62      10.047  -5.045   3.682  1.00  0.32           H   new
ATOM      0  HG  CYS A  62       8.451  -3.208   5.080  1.00  0.49           H   new
ATOM    964  N   GLN A  63      13.400  -3.166   1.795  1.00  0.54           N
ATOM    965  CA  GLN A  63      13.820  -2.879   0.398  1.00  0.58           C
ATOM    966  C   GLN A  63      13.787  -4.163  -0.431  1.00  0.55           C
ATOM    967  O   GLN A  63      13.864  -4.127  -1.643  1.00  0.55           O
ATOM    968  CB  GLN A  63      15.237  -2.305   0.403  1.00  0.77           C
ATOM    969  CG  GLN A  63      16.195  -3.332   1.007  1.00  1.13           C
ATOM    970  CD  GLN A  63      17.379  -2.603   1.645  1.00  1.23           C
ATOM    971  OE1 GLN A  63      17.737  -2.850   2.780  1.00  2.47           O
ATOM    972  NE2 GLN A  63      18.014  -1.697   0.952  1.00  0.61           N
ATOM      0  H   GLN A  63      14.037  -2.838   2.521  1.00  0.54           H   new
ATOM      0  HA  GLN A  63      13.135  -2.155  -0.043  1.00  0.58           H   new
ATOM      0  HB2 GLN A  63      15.545  -2.057  -0.613  1.00  0.77           H   new
ATOM      0  HB3 GLN A  63      15.265  -1.381   0.980  1.00  0.77           H   new
ATOM      0  HG2 GLN A  63      15.678  -3.934   1.754  1.00  1.13           H   new
ATOM      0  HG3 GLN A  63      16.547  -4.016   0.235  1.00  1.13           H   new
ATOM      0 HE21 GLN A  63      17.719  -1.484  -0.001  1.00  0.61           H   new
ATOM      0 HE22 GLN A  63      18.805  -1.202   1.364  1.00  0.61           H   new
ATOM    981  N   ASP A  64      13.673  -5.272   0.244  1.00  0.55           N
ATOM    982  CA  ASP A  64      13.628  -6.566  -0.483  1.00  0.61           C
ATOM    983  C   ASP A  64      12.315  -6.684  -1.249  1.00  0.51           C
ATOM    984  O   ASP A  64      12.291  -7.051  -2.407  1.00  0.58           O
ATOM    985  CB  ASP A  64      13.744  -7.712   0.522  1.00  0.66           C
ATOM    986  CG  ASP A  64      13.028  -7.323   1.817  1.00  0.75           C
ATOM    987  OD1 ASP A  64      13.645  -6.598   2.580  1.00  1.50           O
ATOM    988  OD2 ASP A  64      11.905  -7.773   1.969  1.00  0.40           O
ATOM      0  H   ASP A  64      13.610  -5.337   1.260  1.00  0.55           H   new
ATOM      0  HA  ASP A  64      14.456  -6.615  -1.190  1.00  0.61           H   new
ATOM      0  HB2 ASP A  64      13.304  -8.620   0.108  1.00  0.66           H   new
ATOM      0  HB3 ASP A  64      14.793  -7.929   0.724  1.00  0.66           H   new
ATOM    993  N   VAL A  65      11.254  -6.369  -0.577  1.00  0.39           N
ATOM    994  CA  VAL A  65       9.923  -6.437  -1.228  1.00  0.35           C
ATOM    995  C   VAL A  65       9.793  -5.329  -2.267  1.00  0.32           C
ATOM    996  O   VAL A  65       9.268  -5.534  -3.342  1.00  0.40           O
ATOM    997  CB  VAL A  65       8.848  -6.272  -0.171  1.00  0.27           C
ATOM    998  CG1 VAL A  65       7.495  -6.692  -0.751  1.00  0.40           C
ATOM    999  CG2 VAL A  65       9.182  -7.157   1.030  1.00  0.27           C
ATOM      0  H   VAL A  65      11.248  -6.066   0.397  1.00  0.39           H   new
ATOM      0  HA  VAL A  65       9.810  -7.401  -1.725  1.00  0.35           H   new
ATOM      0  HB  VAL A  65       8.801  -5.229   0.144  1.00  0.27           H   new
ATOM      0 HG11 VAL A  65       6.721  -6.574   0.008  1.00  0.40           H   new
ATOM      0 HG12 VAL A  65       7.258  -6.066  -1.611  1.00  0.40           H   new
ATOM      0 HG13 VAL A  65       7.541  -7.735  -1.063  1.00  0.40           H   new
ATOM      0 HG21 VAL A  65       8.412  -7.041   1.792  1.00  0.27           H   new
ATOM      0 HG22 VAL A  65       9.226  -8.199   0.713  1.00  0.27           H   new
ATOM      0 HG23 VAL A  65      10.147  -6.862   1.442  1.00  0.27           H   new
ATOM   1009  N   ALA A  66      10.276  -4.177  -1.917  1.00  0.27           N
ATOM   1010  CA  ALA A  66      10.204  -3.037  -2.864  1.00  0.27           C
ATOM   1011  C   ALA A  66      10.920  -3.404  -4.155  1.00  0.31           C
ATOM   1012  O   ALA A  66      10.395  -3.243  -5.237  1.00  0.28           O
ATOM   1013  CB  ALA A  66      10.871  -1.812  -2.234  1.00  0.30           C
ATOM      0  H   ALA A  66      10.716  -3.974  -1.020  1.00  0.27           H   new
ATOM      0  HA  ALA A  66       9.161  -2.809  -3.084  1.00  0.27           H   new
ATOM      0  HB1 ALA A  66      10.820  -0.973  -2.928  1.00  0.30           H   new
ATOM      0  HB2 ALA A  66      10.355  -1.551  -1.310  1.00  0.30           H   new
ATOM      0  HB3 ALA A  66      11.915  -2.038  -2.015  1.00  0.30           H   new
ATOM   1019  N   SER A  67      12.105  -3.901  -4.006  1.00  0.41           N
ATOM   1020  CA  SER A  67      12.889  -4.300  -5.203  1.00  0.49           C
ATOM   1021  C   SER A  67      12.145  -5.402  -5.957  1.00  0.50           C
ATOM   1022  O   SER A  67      12.513  -5.770  -7.055  1.00  0.59           O
ATOM   1023  CB  SER A  67      14.257  -4.814  -4.758  1.00  0.58           C
ATOM   1024  OG  SER A  67      14.999  -4.915  -5.966  1.00  0.56           O
ATOM      0  H   SER A  67      12.569  -4.050  -3.110  1.00  0.41           H   new
ATOM      0  HA  SER A  67      13.019  -3.441  -5.861  1.00  0.49           H   new
ATOM      0  HB2 SER A  67      14.731  -4.129  -4.055  1.00  0.58           H   new
ATOM      0  HB3 SER A  67      14.177  -5.779  -4.258  1.00  0.58           H   new
ATOM      0  HG  SER A  67      14.419  -5.257  -6.678  1.00  0.56           H   new
ATOM   1030  N   GLU A  68      11.109  -5.902  -5.344  1.00  0.44           N
ATOM   1031  CA  GLU A  68      10.317  -6.975  -5.990  1.00  0.46           C
ATOM   1032  C   GLU A  68       9.315  -6.363  -6.964  1.00  0.41           C
ATOM   1033  O   GLU A  68       9.009  -6.933  -7.993  1.00  0.46           O
ATOM   1034  CB  GLU A  68       9.575  -7.762  -4.912  1.00  0.44           C
ATOM   1035  CG  GLU A  68       9.407  -9.210  -5.370  1.00  0.74           C
ATOM   1036  CD  GLU A  68       8.620  -9.988  -4.313  1.00  1.38           C
ATOM   1037  OE1 GLU A  68       8.909  -9.763  -3.149  1.00  2.39           O
ATOM   1038  OE2 GLU A  68       7.775 -10.763  -4.730  1.00  1.40           O
ATOM      0  H   GLU A  68      10.779  -5.611  -4.423  1.00  0.44           H   new
ATOM      0  HA  GLU A  68      10.982  -7.641  -6.540  1.00  0.46           H   new
ATOM      0  HB2 GLU A  68      10.129  -7.727  -3.974  1.00  0.44           H   new
ATOM      0  HB3 GLU A  68       8.600  -7.313  -4.723  1.00  0.44           H   new
ATOM      0  HG2 GLU A  68       8.884  -9.243  -6.326  1.00  0.74           H   new
ATOM      0  HG3 GLU A  68      10.383  -9.670  -5.525  1.00  0.74           H   new
ATOM   1045  N   CYS A  69       8.829  -5.213  -6.612  1.00  0.33           N
ATOM   1046  CA  CYS A  69       7.849  -4.525  -7.499  1.00  0.28           C
ATOM   1047  C   CYS A  69       8.594  -3.634  -8.498  1.00  0.26           C
ATOM   1048  O   CYS A  69       7.993  -3.011  -9.350  1.00  0.20           O
ATOM   1049  CB  CYS A  69       6.916  -3.666  -6.644  1.00  0.22           C
ATOM   1050  SG  CYS A  69       5.554  -4.507  -5.800  1.00  0.13           S
ATOM      0  H   CYS A  69       9.064  -4.717  -5.752  1.00  0.33           H   new
ATOM      0  HA  CYS A  69       7.267  -5.267  -8.046  1.00  0.28           H   new
ATOM      0  HB2 CYS A  69       7.519  -3.161  -5.890  1.00  0.22           H   new
ATOM      0  HB3 CYS A  69       6.490  -2.892  -7.283  1.00  0.22           H   new
ATOM      0  HG  CYS A  69       5.403  -4.003  -4.611  1.00  0.13           H   new
ATOM   1056  N   GLU A  70       9.892  -3.596  -8.364  1.00  0.32           N
ATOM   1057  CA  GLU A  70      10.706  -2.756  -9.290  1.00  0.31           C
ATOM   1058  C   GLU A  70      10.270  -1.292  -9.204  1.00  0.26           C
ATOM   1059  O   GLU A  70      10.070  -0.642 -10.210  1.00  0.24           O
ATOM   1060  CB  GLU A  70      10.520  -3.259 -10.722  1.00  0.32           C
ATOM   1061  CG  GLU A  70      11.649  -2.707 -11.596  1.00  1.39           C
ATOM   1062  CD  GLU A  70      11.085  -2.318 -12.965  1.00  1.95           C
ATOM   1063  OE1 GLU A  70      10.564  -1.218 -13.042  1.00  2.84           O
ATOM   1064  OE2 GLU A  70      11.207  -3.142 -13.856  1.00  1.85           O
ATOM      0  H   GLU A  70      10.422  -4.107  -7.658  1.00  0.32           H   new
ATOM      0  HA  GLU A  70      11.755  -2.828  -9.004  1.00  0.31           H   new
ATOM      0  HB2 GLU A  70      10.527  -4.349 -10.742  1.00  0.32           H   new
ATOM      0  HB3 GLU A  70       9.553  -2.940 -11.110  1.00  0.32           H   new
ATOM      0  HG2 GLU A  70      12.104  -1.840 -11.118  1.00  1.39           H   new
ATOM      0  HG3 GLU A  70      12.433  -3.455 -11.712  1.00  1.39           H   new
ATOM   1071  N   VAL A  71      10.133  -0.802  -8.002  1.00  0.26           N
ATOM   1072  CA  VAL A  71       9.714   0.623  -7.844  1.00  0.23           C
ATOM   1073  C   VAL A  71      10.849   1.554  -8.281  1.00  0.31           C
ATOM   1074  O   VAL A  71      12.005   1.182  -8.255  1.00  0.48           O
ATOM   1075  CB  VAL A  71       9.376   0.897  -6.377  1.00  0.42           C
ATOM   1076  CG1 VAL A  71       8.134   1.788  -6.303  1.00  0.50           C
ATOM   1077  CG2 VAL A  71       9.087  -0.425  -5.667  1.00  0.73           C
ATOM      0  H   VAL A  71      10.290  -1.315  -7.135  1.00  0.26           H   new
ATOM      0  HA  VAL A  71       8.837   0.806  -8.465  1.00  0.23           H   new
ATOM      0  HB  VAL A  71      10.218   1.395  -5.896  1.00  0.42           H   new
ATOM      0 HG11 VAL A  71       7.890   1.986  -5.259  1.00  0.50           H   new
ATOM      0 HG12 VAL A  71       8.331   2.730  -6.814  1.00  0.50           H   new
ATOM      0 HG13 VAL A  71       7.295   1.284  -6.783  1.00  0.50           H   new
ATOM      0 HG21 VAL A  71       8.846  -0.232  -4.622  1.00  0.73           H   new
ATOM      0 HG22 VAL A  71       8.243  -0.920  -6.148  1.00  0.73           H   new
ATOM      0 HG23 VAL A  71       9.965  -1.068  -5.724  1.00  0.73           H   new
ATOM   1087  N   LYS A  72      10.491   2.743  -8.673  1.00  0.42           N
ATOM   1088  CA  LYS A  72      11.533   3.717  -9.109  1.00  0.69           C
ATOM   1089  C   LYS A  72      11.142   5.130  -8.672  1.00  0.77           C
ATOM   1090  O   LYS A  72      11.657   6.105  -9.183  1.00  1.03           O
ATOM   1091  CB  LYS A  72      11.660   3.668 -10.631  1.00  0.90           C
ATOM   1092  CG  LYS A  72      13.065   4.124 -11.030  1.00  1.29           C
ATOM   1093  CD  LYS A  72      13.030   4.671 -12.458  1.00  2.28           C
ATOM   1094  CE  LYS A  72      14.442   4.626 -13.049  1.00  2.40           C
ATOM   1095  NZ  LYS A  72      14.645   3.367 -13.819  1.00  2.12           N
ATOM      0  H   LYS A  72       9.530   3.083  -8.711  1.00  0.42           H   new
ATOM      0  HA  LYS A  72      12.487   3.456  -8.651  1.00  0.69           H   new
ATOM      0  HB2 LYS A  72      11.476   2.656 -10.991  1.00  0.90           H   new
ATOM      0  HB3 LYS A  72      10.911   4.311 -11.092  1.00  0.90           H   new
ATOM      0  HG2 LYS A  72      13.420   4.892 -10.342  1.00  1.29           H   new
ATOM      0  HG3 LYS A  72      13.763   3.290 -10.964  1.00  1.29           H   new
ATOM      0  HD2 LYS A  72      12.348   4.081 -13.070  1.00  2.28           H   new
ATOM      0  HD3 LYS A  72      12.655   5.694 -12.459  1.00  2.28           H   new
ATOM      0  HE2 LYS A  72      14.598   5.486 -13.700  1.00  2.40           H   new
ATOM      0  HE3 LYS A  72      15.180   4.693 -12.249  1.00  2.40           H   new
ATOM      0  HZ1 LYS A  72      15.607   3.352 -14.213  1.00  2.12           H   new
ATOM      0  HZ2 LYS A  72      14.517   2.550 -13.189  1.00  2.12           H   new
ATOM      0  HZ3 LYS A  72      13.953   3.319 -14.594  1.00  2.12           H   new
ATOM   1109  N   CYS A  73      10.240   5.209  -7.731  1.00  0.55           N
ATOM   1110  CA  CYS A  73       9.802   6.553  -7.245  1.00  0.60           C
ATOM   1111  C   CYS A  73       8.751   6.403  -6.145  1.00  0.49           C
ATOM   1112  O   CYS A  73       7.741   5.754  -6.333  1.00  0.51           O
ATOM   1113  CB  CYS A  73       9.209   7.344  -8.409  1.00  0.71           C
ATOM   1114  SG  CYS A  73       8.168   6.442  -9.584  1.00  0.70           S
ATOM      0  H   CYS A  73       9.791   4.412  -7.281  1.00  0.55           H   new
ATOM      0  HA  CYS A  73      10.665   7.081  -6.840  1.00  0.60           H   new
ATOM      0  HB2 CYS A  73       8.619   8.162  -7.995  1.00  0.71           H   new
ATOM      0  HB3 CYS A  73      10.032   7.794  -8.964  1.00  0.71           H   new
ATOM      0  HG  CYS A  73       7.746   7.257 -10.504  1.00  0.70           H   new
ATOM   1120  N   THR A  74       9.017   7.014  -5.022  1.00  0.37           N
ATOM   1121  CA  THR A  74       8.055   6.930  -3.883  1.00  0.26           C
ATOM   1122  C   THR A  74       7.338   8.292  -3.708  1.00  0.30           C
ATOM   1123  O   THR A  74       7.881   9.318  -4.066  1.00  0.37           O
ATOM   1124  CB  THR A  74       8.850   6.602  -2.613  1.00  0.21           C
ATOM   1125  OG1 THR A  74       9.985   7.461  -2.669  1.00  0.33           O
ATOM   1126  CG2 THR A  74       9.419   5.188  -2.662  1.00  0.26           C
ATOM      0  H   THR A  74       9.856   7.566  -4.843  1.00  0.37           H   new
ATOM      0  HA  THR A  74       7.308   6.159  -4.073  1.00  0.26           H   new
ATOM      0  HB  THR A  74       8.214   6.710  -1.735  1.00  0.21           H   new
ATOM      0  HG1 THR A  74      10.548   7.311  -1.881  1.00  0.33           H   new
ATOM      0 HG21 THR A  74       9.976   4.988  -1.747  1.00  0.26           H   new
ATOM      0 HG22 THR A  74       8.604   4.471  -2.754  1.00  0.26           H   new
ATOM      0 HG23 THR A  74      10.084   5.093  -3.520  1.00  0.26           H   new
ATOM   1134  N   PRO A  75       6.125   8.282  -3.160  1.00  0.29           N
ATOM   1135  CA  PRO A  75       5.407   7.060  -2.729  1.00  0.23           C
ATOM   1136  C   PRO A  75       4.787   6.334  -3.937  1.00  0.25           C
ATOM   1137  O   PRO A  75       4.338   6.967  -4.877  1.00  0.44           O
ATOM   1138  CB  PRO A  75       4.289   7.571  -1.815  1.00  0.29           C
ATOM   1139  CG  PRO A  75       4.229   9.121  -1.981  1.00  0.36           C
ATOM   1140  CD  PRO A  75       5.413   9.531  -2.877  1.00  0.36           C
ATOM      0  HA  PRO A  75       6.074   6.353  -2.236  1.00  0.23           H   new
ATOM      0  HB2 PRO A  75       3.335   7.118  -2.084  1.00  0.29           H   new
ATOM      0  HB3 PRO A  75       4.488   7.303  -0.777  1.00  0.29           H   new
ATOM      0  HG2 PRO A  75       3.283   9.423  -2.431  1.00  0.36           H   new
ATOM      0  HG3 PRO A  75       4.292   9.614  -1.011  1.00  0.36           H   new
ATOM      0  HD2 PRO A  75       5.067  10.005  -3.796  1.00  0.36           H   new
ATOM      0  HD3 PRO A  75       6.060  10.248  -2.372  1.00  0.36           H   new
ATOM   1148  N   THR A  76       4.776   5.021  -3.880  1.00  0.12           N
ATOM   1149  CA  THR A  76       4.178   4.230  -5.002  1.00  0.12           C
ATOM   1150  C   THR A  76       3.009   3.399  -4.469  1.00  0.11           C
ATOM   1151  O   THR A  76       3.165   2.635  -3.537  1.00  0.10           O
ATOM   1152  CB  THR A  76       5.243   3.306  -5.601  1.00  0.14           C
ATOM   1153  OG1 THR A  76       6.005   4.147  -6.463  1.00  0.19           O
ATOM   1154  CG2 THR A  76       4.622   2.252  -6.515  1.00  0.22           C
ATOM      0  H   THR A  76       5.153   4.468  -3.110  1.00  0.12           H   new
ATOM      0  HA  THR A  76       3.816   4.907  -5.776  1.00  0.12           H   new
ATOM      0  HB  THR A  76       5.799   2.813  -4.804  1.00  0.14           H   new
ATOM      0  HG1 THR A  76       6.798   4.471  -5.987  1.00  0.19           H   new
ATOM      0 HG21 THR A  76       5.407   1.615  -6.922  1.00  0.22           H   new
ATOM      0 HG22 THR A  76       3.920   1.644  -5.945  1.00  0.22           H   new
ATOM      0 HG23 THR A  76       4.095   2.744  -7.332  1.00  0.22           H   new
ATOM   1162  N   PHE A  77       1.861   3.562  -5.072  1.00  0.14           N
ATOM   1163  CA  PHE A  77       0.667   2.804  -4.593  1.00  0.12           C
ATOM   1164  C   PHE A  77       0.419   1.570  -5.454  1.00  0.15           C
ATOM   1165  O   PHE A  77       0.403   1.648  -6.666  1.00  0.20           O
ATOM   1166  CB  PHE A  77      -0.548   3.716  -4.655  1.00  0.11           C
ATOM   1167  CG  PHE A  77      -0.436   4.744  -3.540  1.00  0.10           C
ATOM   1168  CD1 PHE A  77      -0.539   4.348  -2.221  1.00  0.13           C
ATOM   1169  CD2 PHE A  77      -0.228   6.082  -3.829  1.00  0.19           C
ATOM   1170  CE1 PHE A  77      -0.437   5.277  -1.204  1.00  0.22           C
ATOM   1171  CE2 PHE A  77      -0.123   7.007  -2.813  1.00  0.25           C
ATOM   1172  CZ  PHE A  77      -0.228   6.604  -1.501  1.00  0.26           C
ATOM      0  H   PHE A  77       1.698   4.180  -5.867  1.00  0.14           H   new
ATOM      0  HA  PHE A  77       0.846   2.474  -3.570  1.00  0.12           H   new
ATOM      0  HB2 PHE A  77      -0.600   4.212  -5.624  1.00  0.11           H   new
ATOM      0  HB3 PHE A  77      -1.464   3.135  -4.544  1.00  0.11           H   new
ATOM      0  HD1 PHE A  77      -0.700   3.307  -1.984  1.00  0.13           H   new
ATOM      0  HD2 PHE A  77      -0.148   6.403  -4.857  1.00  0.19           H   new
ATOM      0  HE1 PHE A  77      -0.521   4.961  -0.175  1.00  0.22           H   new
ATOM      0  HE2 PHE A  77       0.042   8.049  -3.046  1.00  0.25           H   new
ATOM      0  HZ  PHE A  77      -0.146   7.329  -0.705  1.00  0.26           H   new
ATOM   1182  N   GLN A  78       0.227   0.456  -4.797  1.00  0.15           N
ATOM   1183  CA  GLN A  78      -0.029  -0.821  -5.547  1.00  0.21           C
ATOM   1184  C   GLN A  78      -1.413  -1.387  -5.199  1.00  0.11           C
ATOM   1185  O   GLN A  78      -1.925  -1.165  -4.121  1.00  0.11           O
ATOM   1186  CB  GLN A  78       1.039  -1.839  -5.160  1.00  0.34           C
ATOM   1187  CG  GLN A  78       1.924  -2.159  -6.372  1.00  0.73           C
ATOM   1188  CD  GLN A  78       2.750  -0.923  -6.738  1.00  0.87           C
ATOM   1189  OE1 GLN A  78       2.224   0.157  -6.914  1.00  2.34           O
ATOM   1190  NE2 GLN A  78       4.046  -1.036  -6.857  1.00  0.54           N
ATOM      0  H   GLN A  78       0.235   0.370  -3.781  1.00  0.15           H   new
ATOM      0  HA  GLN A  78       0.005  -0.617  -6.617  1.00  0.21           H   new
ATOM      0  HB2 GLN A  78       1.650  -1.446  -4.347  1.00  0.34           H   new
ATOM      0  HB3 GLN A  78       0.568  -2.751  -4.793  1.00  0.34           H   new
ATOM      0  HG2 GLN A  78       2.583  -2.996  -6.144  1.00  0.73           H   new
ATOM      0  HG3 GLN A  78       1.306  -2.461  -7.218  1.00  0.73           H   new
ATOM      0 HE21 GLN A  78       4.495  -1.940  -6.711  1.00  0.54           H   new
ATOM      0 HE22 GLN A  78       4.609  -0.220  -7.096  1.00  0.54           H   new
ATOM   1199  N   PHE A  79      -1.982  -2.108  -6.137  1.00  0.16           N
ATOM   1200  CA  PHE A  79      -3.336  -2.715  -5.909  1.00  0.11           C
ATOM   1201  C   PHE A  79      -3.262  -4.244  -6.090  1.00  0.14           C
ATOM   1202  O   PHE A  79      -2.977  -4.719  -7.172  1.00  0.20           O
ATOM   1203  CB  PHE A  79      -4.323  -2.150  -6.941  1.00  0.11           C
ATOM   1204  CG  PHE A  79      -4.681  -0.692  -6.609  1.00  0.13           C
ATOM   1205  CD1 PHE A  79      -3.716   0.305  -6.643  1.00  0.14           C
ATOM   1206  CD2 PHE A  79      -5.984  -0.350  -6.274  1.00  0.15           C
ATOM   1207  CE1 PHE A  79      -4.051   1.614  -6.344  1.00  0.15           C
ATOM   1208  CE2 PHE A  79      -6.312   0.957  -5.975  1.00  0.16           C
ATOM   1209  CZ  PHE A  79      -5.350   1.938  -6.011  1.00  0.16           C
ATOM      0  H   PHE A  79      -1.569  -2.303  -7.049  1.00  0.16           H   new
ATOM      0  HA  PHE A  79      -3.666  -2.479  -4.897  1.00  0.11           H   new
ATOM      0  HB2 PHE A  79      -3.885  -2.204  -7.938  1.00  0.11           H   new
ATOM      0  HB3 PHE A  79      -5.228  -2.757  -6.957  1.00  0.11           H   new
ATOM      0  HD1 PHE A  79      -2.698   0.058  -6.904  1.00  0.14           H   new
ATOM      0  HD2 PHE A  79      -6.748  -1.113  -6.247  1.00  0.15           H   new
ATOM      0  HE1 PHE A  79      -3.294   2.384  -6.371  1.00  0.15           H   new
ATOM      0  HE2 PHE A  79      -7.328   1.210  -5.712  1.00  0.16           H   new
ATOM      0  HZ  PHE A  79      -5.610   2.960  -5.779  1.00  0.16           H   new
ATOM   1219  N   PHE A  80      -3.519  -4.981  -5.029  1.00  0.14           N
ATOM   1220  CA  PHE A  80      -3.476  -6.484  -5.137  1.00  0.16           C
ATOM   1221  C   PHE A  80      -4.842  -7.074  -4.765  1.00  0.11           C
ATOM   1222  O   PHE A  80      -5.579  -6.498  -3.987  1.00  0.09           O
ATOM   1223  CB  PHE A  80      -2.423  -7.036  -4.175  1.00  0.24           C
ATOM   1224  CG  PHE A  80      -1.024  -6.674  -4.677  1.00  0.25           C
ATOM   1225  CD1 PHE A  80      -0.494  -7.290  -5.797  1.00  0.32           C
ATOM   1226  CD2 PHE A  80      -0.271  -5.726  -4.014  1.00  0.32           C
ATOM   1227  CE1 PHE A  80       0.770  -6.958  -6.243  1.00  0.34           C
ATOM   1228  CE2 PHE A  80       0.990  -5.396  -4.461  1.00  0.32           C
ATOM   1229  CZ  PHE A  80       1.511  -6.012  -5.574  1.00  0.27           C
ATOM      0  H   PHE A  80      -3.753  -4.616  -4.106  1.00  0.14           H   new
ATOM      0  HA  PHE A  80      -3.225  -6.757  -6.162  1.00  0.16           H   new
ATOM      0  HB2 PHE A  80      -2.579  -6.627  -3.177  1.00  0.24           H   new
ATOM      0  HB3 PHE A  80      -2.522  -8.119  -4.095  1.00  0.24           H   new
ATOM      0  HD1 PHE A  80      -1.072  -8.034  -6.325  1.00  0.32           H   new
ATOM      0  HD2 PHE A  80      -0.673  -5.239  -3.138  1.00  0.32           H   new
ATOM      0  HE1 PHE A  80       1.177  -7.442  -7.118  1.00  0.34           H   new
ATOM      0  HE2 PHE A  80       1.570  -4.652  -3.936  1.00  0.32           H   new
ATOM      0  HZ  PHE A  80       2.500  -5.754  -5.922  1.00  0.27           H   new
ATOM   1239  N   LYS A  81      -5.148  -8.212  -5.335  1.00  0.21           N
ATOM   1240  CA  LYS A  81      -6.453  -8.869  -5.024  1.00  0.24           C
ATOM   1241  C   LYS A  81      -6.235 -10.363  -4.810  1.00  0.42           C
ATOM   1242  O   LYS A  81      -5.967 -11.095  -5.738  1.00  0.55           O
ATOM   1243  CB  LYS A  81      -7.421  -8.649  -6.186  1.00  0.36           C
ATOM   1244  CG  LYS A  81      -8.756  -9.329  -5.867  1.00  0.66           C
ATOM   1245  CD  LYS A  81      -9.881  -8.597  -6.604  1.00  0.50           C
ATOM   1246  CE  LYS A  81     -11.213  -9.285  -6.300  1.00  1.36           C
ATOM   1247  NZ  LYS A  81     -11.102 -10.758  -6.505  1.00  2.60           N
ATOM      0  H   LYS A  81      -4.555  -8.711  -5.998  1.00  0.21           H   new
ATOM      0  HA  LYS A  81      -6.873  -8.435  -4.117  1.00  0.24           H   new
ATOM      0  HB2 LYS A  81      -7.573  -7.582  -6.351  1.00  0.36           H   new
ATOM      0  HB3 LYS A  81      -7.002  -9.057  -7.106  1.00  0.36           H   new
ATOM      0  HG2 LYS A  81      -8.727 -10.376  -6.170  1.00  0.66           H   new
ATOM      0  HG3 LYS A  81      -8.938  -9.314  -4.792  1.00  0.66           H   new
ATOM      0  HD2 LYS A  81      -9.918  -7.553  -6.292  1.00  0.50           H   new
ATOM      0  HD3 LYS A  81      -9.692  -8.602  -7.678  1.00  0.50           H   new
ATOM      0  HE2 LYS A  81     -11.510  -9.077  -5.272  1.00  1.36           H   new
ATOM      0  HE3 LYS A  81     -11.993  -8.880  -6.945  1.00  1.36           H   new
ATOM      0  HZ1 LYS A  81     -12.029 -11.141  -6.780  1.00  2.60           H   new
ATOM      0  HZ2 LYS A  81     -10.410 -10.953  -7.257  1.00  2.60           H   new
ATOM      0  HZ3 LYS A  81     -10.790 -11.209  -5.621  1.00  2.60           H   new
ATOM   1261  N   LYS A  82      -6.355 -10.783  -3.582  1.00  0.71           N
ATOM   1262  CA  LYS A  82      -6.141 -12.223  -3.276  1.00  0.95           C
ATOM   1263  C   LYS A  82      -4.672 -12.586  -3.513  1.00  0.86           C
ATOM   1264  O   LYS A  82      -4.255 -13.693  -3.237  1.00  1.26           O
ATOM   1265  CB  LYS A  82      -7.037 -13.079  -4.172  1.00  1.12           C
ATOM   1266  CG  LYS A  82      -7.358 -14.395  -3.446  1.00  1.87           C
ATOM   1267  CD  LYS A  82      -7.578 -15.512  -4.472  1.00  2.27           C
ATOM   1268  CE  LYS A  82      -8.800 -15.185  -5.337  1.00  1.29           C
ATOM   1269  NZ  LYS A  82      -9.712 -16.362  -5.416  1.00  1.27           N
ATOM      0  H   LYS A  82      -6.590 -10.195  -2.782  1.00  0.71           H   new
ATOM      0  HA  LYS A  82      -6.394 -12.412  -2.233  1.00  0.95           H   new
ATOM      0  HB2 LYS A  82      -7.957 -12.544  -4.406  1.00  1.12           H   new
ATOM      0  HB3 LYS A  82      -6.538 -13.283  -5.119  1.00  1.12           H   new
ATOM      0  HG2 LYS A  82      -6.541 -14.660  -2.775  1.00  1.87           H   new
ATOM      0  HG3 LYS A  82      -8.249 -14.273  -2.830  1.00  1.87           H   new
ATOM      0  HD2 LYS A  82      -6.694 -15.621  -5.100  1.00  2.27           H   new
ATOM      0  HD3 LYS A  82      -7.726 -16.464  -3.962  1.00  2.27           H   new
ATOM      0  HE2 LYS A  82      -9.333 -14.332  -4.917  1.00  1.29           H   new
ATOM      0  HE3 LYS A  82      -8.478 -14.898  -6.338  1.00  1.29           H   new
ATOM      0  HZ1 LYS A  82     -10.535 -16.124  -6.006  1.00  1.27           H   new
ATOM      0  HZ2 LYS A  82      -9.205 -17.166  -5.837  1.00  1.27           H   new
ATOM      0  HZ3 LYS A  82     -10.033 -16.617  -4.460  1.00  1.27           H   new
ATOM   1283  N   GLY A  83      -3.921 -11.632  -4.019  1.00  0.42           N
ATOM   1284  CA  GLY A  83      -2.467 -11.891  -4.277  1.00  0.39           C
ATOM   1285  C   GLY A  83      -2.073 -11.485  -5.702  1.00  0.36           C
ATOM   1286  O   GLY A  83      -0.904 -11.337  -5.999  1.00  0.91           O
ATOM      0  H   GLY A  83      -4.248 -10.697  -4.261  1.00  0.42           H   new
ATOM      0  HA2 GLY A  83      -1.864 -11.336  -3.559  1.00  0.39           H   new
ATOM      0  HA3 GLY A  83      -2.251 -12.949  -4.125  1.00  0.39           H   new
ATOM   1290  N   GLN A  84      -3.048 -11.311  -6.557  1.00  0.29           N
ATOM   1291  CA  GLN A  84      -2.719 -10.923  -7.965  1.00  0.25           C
ATOM   1292  C   GLN A  84      -2.795  -9.407  -8.146  1.00  0.22           C
ATOM   1293  O   GLN A  84      -3.579  -8.736  -7.508  1.00  0.33           O
ATOM   1294  CB  GLN A  84      -3.695 -11.607  -8.925  1.00  0.24           C
ATOM   1295  CG  GLN A  84      -5.117 -11.475  -8.383  1.00  1.86           C
ATOM   1296  CD  GLN A  84      -6.111 -11.594  -9.542  1.00  2.41           C
ATOM   1297  OE1 GLN A  84      -6.016 -12.481 -10.367  1.00  1.86           O
ATOM   1298  NE2 GLN A  84      -7.078 -10.725  -9.639  1.00  3.69           N
ATOM      0  H   GLN A  84      -4.041 -11.418  -6.349  1.00  0.29           H   new
ATOM      0  HA  GLN A  84      -1.700 -11.244  -8.184  1.00  0.25           H   new
ATOM      0  HB2 GLN A  84      -3.627 -11.153  -9.914  1.00  0.24           H   new
ATOM      0  HB3 GLN A  84      -3.434 -12.659  -9.038  1.00  0.24           H   new
ATOM      0  HG2 GLN A  84      -5.310 -12.251  -7.642  1.00  1.86           H   new
ATOM      0  HG3 GLN A  84      -5.240 -10.516  -7.880  1.00  1.86           H   new
ATOM      0 HE21 GLN A  84      -7.163  -9.978  -8.950  1.00  3.69           H   new
ATOM      0 HE22 GLN A  84      -7.749 -10.792 -10.404  1.00  3.69           H   new
ATOM   1307  N   LYS A  85      -1.969  -8.904  -9.025  1.00  0.48           N
ATOM   1308  CA  LYS A  85      -1.956  -7.438  -9.272  1.00  0.46           C
ATOM   1309  C   LYS A  85      -3.058  -7.050 -10.262  1.00  0.43           C
ATOM   1310  O   LYS A  85      -3.293  -7.739 -11.235  1.00  0.53           O
ATOM   1311  CB  LYS A  85      -0.595  -7.053  -9.852  1.00  0.55           C
ATOM   1312  CG  LYS A  85      -0.481  -5.525  -9.900  1.00  0.61           C
ATOM   1313  CD  LYS A  85       0.975  -5.121 -10.206  1.00  0.82           C
ATOM   1314  CE  LYS A  85       1.305  -5.399 -11.682  1.00  1.07           C
ATOM   1315  NZ  LYS A  85       1.710  -4.139 -12.367  1.00  2.08           N
ATOM      0  H   LYS A  85      -1.306  -9.445  -9.580  1.00  0.48           H   new
ATOM      0  HA  LYS A  85      -2.133  -6.913  -8.333  1.00  0.46           H   new
ATOM      0  HB2 LYS A  85       0.205  -7.470  -9.241  1.00  0.55           H   new
ATOM      0  HB3 LYS A  85      -0.482  -7.470 -10.853  1.00  0.55           H   new
ATOM      0  HG2 LYS A  85      -1.148  -5.125 -10.664  1.00  0.61           H   new
ATOM      0  HG3 LYS A  85      -0.795  -5.097  -8.948  1.00  0.61           H   new
ATOM      0  HD2 LYS A  85       1.120  -4.063  -9.986  1.00  0.82           H   new
ATOM      0  HD3 LYS A  85       1.657  -5.677  -9.563  1.00  0.82           H   new
ATOM      0  HE2 LYS A  85       2.108  -6.133 -11.750  1.00  1.07           H   new
ATOM      0  HE3 LYS A  85       0.437  -5.830 -12.181  1.00  1.07           H   new
ATOM      0  HZ1 LYS A  85       1.930  -4.341 -13.363  1.00  2.08           H   new
ATOM      0  HZ2 LYS A  85       0.932  -3.451 -12.317  1.00  2.08           H   new
ATOM      0  HZ3 LYS A  85       2.551  -3.745 -11.900  1.00  2.08           H   new
ATOM   1329  N   VAL A  86      -3.710  -5.952  -9.982  1.00  0.32           N
ATOM   1330  CA  VAL A  86      -4.801  -5.481 -10.891  1.00  0.31           C
ATOM   1331  C   VAL A  86      -4.643  -3.981 -11.175  1.00  0.27           C
ATOM   1332  O   VAL A  86      -5.157  -3.477 -12.154  1.00  0.34           O
ATOM   1333  CB  VAL A  86      -6.151  -5.735 -10.224  1.00  0.27           C
ATOM   1334  CG1 VAL A  86      -6.432  -7.239 -10.215  1.00  0.31           C
ATOM   1335  CG2 VAL A  86      -6.103  -5.223  -8.783  1.00  0.22           C
ATOM      0  H   VAL A  86      -3.537  -5.362  -9.168  1.00  0.32           H   new
ATOM      0  HA  VAL A  86      -4.744  -6.025 -11.834  1.00  0.31           H   new
ATOM      0  HB  VAL A  86      -6.937  -5.217 -10.773  1.00  0.27           H   new
ATOM      0 HG11 VAL A  86      -7.395  -7.426  -9.740  1.00  0.31           H   new
ATOM      0 HG12 VAL A  86      -6.454  -7.611 -11.239  1.00  0.31           H   new
ATOM      0 HG13 VAL A  86      -5.647  -7.752  -9.659  1.00  0.31           H   new
ATOM      0 HG21 VAL A  86      -7.064  -5.402  -8.301  1.00  0.22           H   new
ATOM      0 HG22 VAL A  86      -5.320  -5.748  -8.236  1.00  0.22           H   new
ATOM      0 HG23 VAL A  86      -5.890  -4.154  -8.784  1.00  0.22           H   new
ATOM   1345  N   GLY A  87      -3.934  -3.300 -10.312  1.00  0.20           N
ATOM   1346  CA  GLY A  87      -3.736  -1.839 -10.522  1.00  0.16           C
ATOM   1347  C   GLY A  87      -2.404  -1.384  -9.923  1.00  0.22           C
ATOM   1348  O   GLY A  87      -1.844  -2.042  -9.069  1.00  0.38           O
ATOM      0  H   GLY A  87      -3.489  -3.689  -9.481  1.00  0.20           H   new
ATOM      0  HA2 GLY A  87      -3.757  -1.613 -11.588  1.00  0.16           H   new
ATOM      0  HA3 GLY A  87      -4.555  -1.286 -10.063  1.00  0.16           H   new
ATOM   1352  N   GLU A  88      -1.919  -0.266 -10.390  1.00  0.17           N
ATOM   1353  CA  GLU A  88      -0.629   0.254  -9.850  1.00  0.21           C
ATOM   1354  C   GLU A  88      -0.344   1.648 -10.417  1.00  0.20           C
ATOM   1355  O   GLU A  88      -0.285   1.837 -11.616  1.00  0.21           O
ATOM   1356  CB  GLU A  88       0.498  -0.701 -10.248  1.00  0.27           C
ATOM   1357  CG  GLU A  88       1.848  -0.068  -9.900  1.00  1.17           C
ATOM   1358  CD  GLU A  88       2.445   0.570 -11.156  1.00  1.48           C
ATOM   1359  OE1 GLU A  88       2.882  -0.197 -11.998  1.00  1.27           O
ATOM   1360  OE2 GLU A  88       2.432   1.790 -11.202  1.00  2.87           O
ATOM      0  H   GLU A  88      -2.354   0.305 -11.114  1.00  0.17           H   new
ATOM      0  HA  GLU A  88      -0.693   0.323  -8.764  1.00  0.21           H   new
ATOM      0  HB2 GLU A  88       0.385  -1.652  -9.727  1.00  0.27           H   new
ATOM      0  HB3 GLU A  88       0.449  -0.915 -11.316  1.00  0.27           H   new
ATOM      0  HG2 GLU A  88       1.720   0.684  -9.122  1.00  1.17           H   new
ATOM      0  HG3 GLU A  88       2.526  -0.824  -9.505  1.00  1.17           H   new
ATOM   1367  N   PHE A  89      -0.170   2.594  -9.536  1.00  0.22           N
ATOM   1368  CA  PHE A  89       0.121   3.976  -9.989  1.00  0.22           C
ATOM   1369  C   PHE A  89       0.861   4.743  -8.888  1.00  0.18           C
ATOM   1370  O   PHE A  89       0.484   4.688  -7.731  1.00  0.17           O
ATOM   1371  CB  PHE A  89      -1.201   4.653 -10.307  1.00  0.26           C
ATOM   1372  CG  PHE A  89      -1.741   5.371  -9.067  1.00  0.23           C
ATOM   1373  CD1 PHE A  89      -1.297   6.639  -8.738  1.00  0.25           C
ATOM   1374  CD2 PHE A  89      -2.686   4.759  -8.261  1.00  0.21           C
ATOM   1375  CE1 PHE A  89      -1.791   7.284  -7.621  1.00  0.26           C
ATOM   1376  CE2 PHE A  89      -3.179   5.406  -7.145  1.00  0.19           C
ATOM   1377  CZ  PHE A  89      -2.732   6.667  -6.827  1.00  0.22           C
ATOM      0  H   PHE A  89      -0.217   2.467  -8.525  1.00  0.22           H   new
ATOM      0  HA  PHE A  89       0.756   3.960 -10.875  1.00  0.22           H   new
ATOM      0  HB2 PHE A  89      -1.066   5.367 -11.119  1.00  0.26           H   new
ATOM      0  HB3 PHE A  89      -1.923   3.913 -10.651  1.00  0.26           H   new
ATOM      0  HD1 PHE A  89      -0.560   7.127  -9.358  1.00  0.25           H   new
ATOM      0  HD2 PHE A  89      -3.040   3.769  -8.507  1.00  0.21           H   new
ATOM      0  HE1 PHE A  89      -1.439   8.274  -7.370  1.00  0.26           H   new
ATOM      0  HE2 PHE A  89      -3.916   4.921  -6.522  1.00  0.19           H   new
ATOM      0  HZ  PHE A  89      -3.119   7.173  -5.955  1.00  0.22           H   new
ATOM   1387  N   SER A  90       1.904   5.436  -9.272  1.00  0.18           N
ATOM   1388  CA  SER A  90       2.694   6.208  -8.264  1.00  0.16           C
ATOM   1389  C   SER A  90       2.465   7.710  -8.434  1.00  0.15           C
ATOM   1390  O   SER A  90       2.007   8.160  -9.466  1.00  0.26           O
ATOM   1391  CB  SER A  90       4.178   5.898  -8.451  1.00  0.21           C
ATOM   1392  OG  SER A  90       4.500   6.476  -9.707  1.00  0.26           O
ATOM      0  H   SER A  90       2.241   5.501 -10.233  1.00  0.18           H   new
ATOM      0  HA  SER A  90       2.371   5.918  -7.264  1.00  0.16           H   new
ATOM      0  HB2 SER A  90       4.779   6.328  -7.649  1.00  0.21           H   new
ATOM      0  HB3 SER A  90       4.364   4.824  -8.448  1.00  0.21           H   new
ATOM      0  HG  SER A  90       5.474   6.513  -9.810  1.00  0.26           H   new
ATOM   1398  N   GLY A  91       2.795   8.452  -7.407  1.00  0.27           N
ATOM   1399  CA  GLY A  91       2.609   9.931  -7.471  1.00  0.29           C
ATOM   1400  C   GLY A  91       1.991  10.443  -6.169  1.00  0.25           C
ATOM   1401  O   GLY A  91       1.057   9.864  -5.652  1.00  0.31           O
ATOM      0  H   GLY A  91       3.183   8.099  -6.532  1.00  0.27           H   new
ATOM      0  HA2 GLY A  91       3.569  10.418  -7.643  1.00  0.29           H   new
ATOM      0  HA3 GLY A  91       1.966  10.188  -8.313  1.00  0.29           H   new
ATOM   1405  N   ALA A  92       2.528  11.518  -5.663  1.00  0.18           N
ATOM   1406  CA  ALA A  92       1.980  12.080  -4.396  1.00  0.14           C
ATOM   1407  C   ALA A  92       0.585  12.667  -4.637  1.00  0.15           C
ATOM   1408  O   ALA A  92       0.447  13.816  -5.006  1.00  0.66           O
ATOM   1409  CB  ALA A  92       2.915  13.177  -3.888  1.00  0.10           C
ATOM      0  H   ALA A  92       3.314  12.028  -6.066  1.00  0.18           H   new
ATOM      0  HA  ALA A  92       1.904  11.285  -3.654  1.00  0.14           H   new
ATOM      0  HB1 ALA A  92       2.519  13.592  -2.961  1.00  0.10           H   new
ATOM      0  HB2 ALA A  92       3.904  12.756  -3.704  1.00  0.10           H   new
ATOM      0  HB3 ALA A  92       2.990  13.966  -4.636  1.00  0.10           H   new
ATOM   1415  N   ASN A  93      -0.419  11.860  -4.426  1.00  0.54           N
ATOM   1416  CA  ASN A  93      -1.813  12.352  -4.637  1.00  0.57           C
ATOM   1417  C   ASN A  93      -2.799  11.486  -3.850  1.00  0.46           C
ATOM   1418  O   ASN A  93      -2.807  10.277  -3.983  1.00  0.35           O
ATOM   1419  CB  ASN A  93      -2.149  12.284  -6.126  1.00  0.62           C
ATOM   1420  CG  ASN A  93      -3.272  13.277  -6.434  1.00  0.76           C
ATOM   1421  OD1 ASN A  93      -4.266  13.388  -5.595  1.00  1.02           O   flip
ATOM   1422  ND2 ASN A  93      -3.256  13.958  -7.440  1.00  0.70           N   flip
ATOM      0  H   ASN A  93      -0.338  10.890  -4.120  1.00  0.54           H   new
ATOM      0  HA  ASN A  93      -1.889  13.382  -4.288  1.00  0.57           H   new
ATOM      0  HB2 ASN A  93      -1.267  12.518  -6.721  1.00  0.62           H   new
ATOM      0  HB3 ASN A  93      -2.456  11.274  -6.396  1.00  0.62           H   new
ATOM      0 HD21 ASN A  93      -2.482  13.876  -8.099  1.00  0.70           H   new
ATOM      0 HD22 ASN A  93      -4.016  14.612  -7.625  1.00  0.70           H   new
ATOM   1429  N   LYS A  94      -3.611  12.122  -3.046  1.00  0.53           N
ATOM   1430  CA  LYS A  94      -4.600  11.349  -2.236  1.00  0.50           C
ATOM   1431  C   LYS A  94      -5.976  11.394  -2.904  1.00  0.40           C
ATOM   1432  O   LYS A  94      -6.632  10.381  -3.046  1.00  0.37           O
ATOM   1433  CB  LYS A  94      -4.702  11.939  -0.815  1.00  0.69           C
ATOM   1434  CG  LYS A  94      -3.568  12.951  -0.568  1.00  0.39           C
ATOM   1435  CD  LYS A  94      -3.912  14.281  -1.252  1.00  1.03           C
ATOM   1436  CE  LYS A  94      -4.397  15.278  -0.194  1.00  1.76           C
ATOM   1437  NZ  LYS A  94      -3.248  15.789   0.607  1.00  1.42           N
ATOM      0  H   LYS A  94      -3.633  13.133  -2.915  1.00  0.53           H   new
ATOM      0  HA  LYS A  94      -4.262  10.315  -2.172  1.00  0.50           H   new
ATOM      0  HB2 LYS A  94      -5.668  12.428  -0.686  1.00  0.69           H   new
ATOM      0  HB3 LYS A  94      -4.649  11.138  -0.078  1.00  0.69           H   new
ATOM      0  HG2 LYS A  94      -3.430  13.105   0.502  1.00  0.39           H   new
ATOM      0  HG3 LYS A  94      -2.627  12.562  -0.958  1.00  0.39           H   new
ATOM      0  HD2 LYS A  94      -3.037  14.676  -1.768  1.00  1.03           H   new
ATOM      0  HD3 LYS A  94      -4.684  14.127  -2.006  1.00  1.03           H   new
ATOM      0  HE2 LYS A  94      -4.910  16.110  -0.677  1.00  1.76           H   new
ATOM      0  HE3 LYS A  94      -5.121  14.796   0.463  1.00  1.76           H   new
ATOM      0  HZ1 LYS A  94      -3.465  15.702   1.620  1.00  1.42           H   new
ATOM      0  HZ2 LYS A  94      -2.397  15.234   0.386  1.00  1.42           H   new
ATOM      0  HZ3 LYS A  94      -3.079  16.788   0.374  1.00  1.42           H   new
ATOM   1451  N   GLU A  95      -6.389  12.569  -3.301  1.00  0.40           N
ATOM   1452  CA  GLU A  95      -7.714  12.685  -3.970  1.00  0.32           C
ATOM   1453  C   GLU A  95      -7.835  11.605  -5.046  1.00  0.24           C
ATOM   1454  O   GLU A  95      -8.918  11.279  -5.490  1.00  0.21           O
ATOM   1455  CB  GLU A  95      -7.836  14.066  -4.613  1.00  0.24           C
ATOM   1456  CG  GLU A  95      -8.006  15.118  -3.514  1.00  0.80           C
ATOM   1457  CD  GLU A  95      -7.796  16.512  -4.111  1.00  1.28           C
ATOM   1458  OE1 GLU A  95      -8.005  16.625  -5.308  1.00  1.41           O
ATOM   1459  OE2 GLU A  95      -7.439  17.383  -3.336  1.00  2.27           O
ATOM      0  H   GLU A  95      -5.873  13.442  -3.192  1.00  0.40           H   new
ATOM      0  HA  GLU A  95      -8.509  12.555  -3.236  1.00  0.32           H   new
ATOM      0  HB2 GLU A  95      -6.949  14.284  -5.207  1.00  0.24           H   new
ATOM      0  HB3 GLU A  95      -8.688  14.091  -5.292  1.00  0.24           H   new
ATOM      0  HG2 GLU A  95      -9.001  15.044  -3.075  1.00  0.80           H   new
ATOM      0  HG3 GLU A  95      -7.289  14.942  -2.712  1.00  0.80           H   new
ATOM   1466  N   LYS A  96      -6.709  11.076  -5.441  1.00  0.23           N
ATOM   1467  CA  LYS A  96      -6.719  10.011  -6.482  1.00  0.16           C
ATOM   1468  C   LYS A  96      -7.011   8.650  -5.840  1.00  0.14           C
ATOM   1469  O   LYS A  96      -7.896   7.940  -6.271  1.00  0.22           O
ATOM   1470  CB  LYS A  96      -5.352   9.976  -7.164  1.00  0.22           C
ATOM   1471  CG  LYS A  96      -5.361   8.907  -8.259  1.00  0.23           C
ATOM   1472  CD  LYS A  96      -4.837   9.519  -9.562  1.00  0.29           C
ATOM   1473  CE  LYS A  96      -5.865  10.519 -10.103  1.00  1.22           C
ATOM   1474  NZ  LYS A  96      -5.224  11.843 -10.352  1.00  1.94           N
ATOM      0  H   LYS A  96      -5.787  11.334  -5.089  1.00  0.23           H   new
ATOM      0  HA  LYS A  96      -7.496  10.225  -7.216  1.00  0.16           H   new
ATOM      0  HB2 LYS A  96      -5.122  10.951  -7.593  1.00  0.22           H   new
ATOM      0  HB3 LYS A  96      -4.573   9.758  -6.433  1.00  0.22           H   new
ATOM      0  HG2 LYS A  96      -4.739   8.062  -7.964  1.00  0.23           H   new
ATOM      0  HG3 LYS A  96      -6.372   8.525  -8.403  1.00  0.23           H   new
ATOM      0  HD2 LYS A  96      -3.885  10.019  -9.385  1.00  0.29           H   new
ATOM      0  HD3 LYS A  96      -4.654   8.735 -10.297  1.00  0.29           H   new
ATOM      0  HE2 LYS A  96      -6.299  10.139 -11.028  1.00  1.22           H   new
ATOM      0  HE3 LYS A  96      -6.682  10.632  -9.390  1.00  1.22           H   new
ATOM      0  HZ1 LYS A  96      -5.934  12.509 -10.718  1.00  1.94           H   new
ATOM      0  HZ2 LYS A  96      -4.830  12.211  -9.462  1.00  1.94           H   new
ATOM      0  HZ3 LYS A  96      -4.460  11.733 -11.049  1.00  1.94           H   new
ATOM   1488  N   LEU A  97      -6.259   8.317  -4.818  1.00  0.05           N
ATOM   1489  CA  LEU A  97      -6.482   7.002  -4.133  1.00  0.05           C
ATOM   1490  C   LEU A  97      -7.983   6.746  -3.952  1.00  0.10           C
ATOM   1491  O   LEU A  97      -8.508   5.773  -4.443  1.00  0.05           O
ATOM   1492  CB  LEU A  97      -5.819   7.026  -2.744  1.00  0.10           C
ATOM   1493  CG  LEU A  97      -4.301   6.795  -2.870  1.00  0.25           C
ATOM   1494  CD1 LEU A  97      -3.589   7.370  -1.633  1.00  0.27           C
ATOM   1495  CD2 LEU A  97      -4.006   5.285  -2.941  1.00  0.36           C
ATOM      0  H   LEU A  97      -5.509   8.890  -4.431  1.00  0.05           H   new
ATOM      0  HA  LEU A  97      -6.047   6.212  -4.746  1.00  0.05           H   new
ATOM      0  HB2 LEU A  97      -6.009   7.984  -2.260  1.00  0.10           H   new
ATOM      0  HB3 LEU A  97      -6.259   6.256  -2.110  1.00  0.10           H   new
ATOM      0  HG  LEU A  97      -3.944   7.287  -3.775  1.00  0.25           H   new
ATOM      0 HD11 LEU A  97      -2.515   7.206  -1.722  1.00  0.27           H   new
ATOM      0 HD12 LEU A  97      -3.789   8.439  -1.563  1.00  0.27           H   new
ATOM      0 HD13 LEU A  97      -3.958   6.872  -0.736  1.00  0.27           H   new
ATOM      0 HD21 LEU A  97      -2.931   5.128  -3.030  1.00  0.36           H   new
ATOM      0 HD22 LEU A  97      -4.370   4.800  -2.035  1.00  0.36           H   new
ATOM      0 HD23 LEU A  97      -4.508   4.857  -3.808  1.00  0.36           H   new
ATOM   1507  N   GLU A  98      -8.632   7.633  -3.244  1.00  0.27           N
ATOM   1508  CA  GLU A  98     -10.100   7.465  -3.001  1.00  0.33           C
ATOM   1509  C   GLU A  98     -10.812   6.971  -4.261  1.00  0.33           C
ATOM   1510  O   GLU A  98     -11.312   5.865  -4.306  1.00  0.35           O
ATOM   1511  CB  GLU A  98     -10.690   8.810  -2.577  1.00  0.40           C
ATOM   1512  CG  GLU A  98     -12.175   8.629  -2.252  1.00  0.46           C
ATOM   1513  CD  GLU A  98     -13.011   9.420  -3.259  1.00  1.07           C
ATOM   1514  OE1 GLU A  98     -12.951  10.635  -3.176  1.00  1.58           O
ATOM   1515  OE2 GLU A  98     -13.664   8.764  -4.055  1.00  2.29           O
ATOM      0  H   GLU A  98      -8.214   8.463  -2.824  1.00  0.27           H   new
ATOM      0  HA  GLU A  98     -10.243   6.723  -2.215  1.00  0.33           H   new
ATOM      0  HB2 GLU A  98     -10.159   9.195  -1.706  1.00  0.40           H   new
ATOM      0  HB3 GLU A  98     -10.567   9.542  -3.375  1.00  0.40           H   new
ATOM      0  HG2 GLU A  98     -12.442   7.573  -2.290  1.00  0.46           H   new
ATOM      0  HG3 GLU A  98     -12.382   8.974  -1.239  1.00  0.46           H   new
ATOM   1522  N   ALA A  99     -10.842   7.802  -5.252  1.00  0.33           N
ATOM   1523  CA  ALA A  99     -11.523   7.411  -6.524  1.00  0.34           C
ATOM   1524  C   ALA A  99     -10.900   6.133  -7.101  1.00  0.25           C
ATOM   1525  O   ALA A  99     -11.576   5.343  -7.731  1.00  0.18           O
ATOM   1526  CB  ALA A  99     -11.383   8.548  -7.535  1.00  0.41           C
ATOM      0  H   ALA A  99     -10.429   8.734  -5.246  1.00  0.33           H   new
ATOM      0  HA  ALA A  99     -12.576   7.220  -6.318  1.00  0.34           H   new
ATOM      0  HB1 ALA A  99     -11.877   8.270  -8.466  1.00  0.41           H   new
ATOM      0  HB2 ALA A  99     -11.845   9.450  -7.134  1.00  0.41           H   new
ATOM      0  HB3 ALA A  99     -10.327   8.736  -7.727  1.00  0.41           H   new
ATOM   1532  N   THR A 100      -9.625   5.954  -6.877  1.00  0.33           N
ATOM   1533  CA  THR A 100      -8.960   4.729  -7.413  1.00  0.24           C
ATOM   1534  C   THR A 100      -9.550   3.485  -6.743  1.00  0.17           C
ATOM   1535  O   THR A 100      -9.879   2.520  -7.403  1.00  0.13           O
ATOM   1536  CB  THR A 100      -7.454   4.806  -7.139  1.00  0.21           C
ATOM   1537  OG1 THR A 100      -7.082   6.121  -7.540  1.00  0.31           O
ATOM   1538  CG2 THR A 100      -6.668   3.871  -8.056  1.00  0.15           C
ATOM      0  H   THR A 100      -9.023   6.591  -6.355  1.00  0.33           H   new
ATOM      0  HA  THR A 100      -9.128   4.665  -8.488  1.00  0.24           H   new
ATOM      0  HB  THR A 100      -7.251   4.550  -6.099  1.00  0.21           H   new
ATOM      0  HG1 THR A 100      -7.631   6.777  -7.061  1.00  0.31           H   new
ATOM      0 HG21 THR A 100      -5.604   3.952  -7.833  1.00  0.15           H   new
ATOM      0 HG22 THR A 100      -6.995   2.844  -7.895  1.00  0.15           H   new
ATOM      0 HG23 THR A 100      -6.843   4.149  -9.095  1.00  0.15           H   new
ATOM   1546  N   ILE A 101      -9.671   3.530  -5.445  1.00  0.21           N
ATOM   1547  CA  ILE A 101     -10.261   2.367  -4.733  1.00  0.20           C
ATOM   1548  C   ILE A 101     -11.677   2.152  -5.244  1.00  0.20           C
ATOM   1549  O   ILE A 101     -12.136   1.037  -5.383  1.00  0.19           O
ATOM   1550  CB  ILE A 101     -10.284   2.652  -3.229  1.00  0.33           C
ATOM   1551  CG1 ILE A 101      -8.856   2.484  -2.673  1.00  0.30           C
ATOM   1552  CG2 ILE A 101     -11.224   1.659  -2.543  1.00  0.53           C
ATOM   1553  CD1 ILE A 101      -8.767   3.041  -1.239  1.00  0.74           C
ATOM      0  H   ILE A 101      -9.390   4.313  -4.854  1.00  0.21           H   new
ATOM      0  HA  ILE A 101      -9.667   1.471  -4.914  1.00  0.20           H   new
ATOM      0  HB  ILE A 101     -10.635   3.667  -3.043  1.00  0.33           H   new
ATOM      0 HG12 ILE A 101      -8.579   1.430  -2.678  1.00  0.30           H   new
ATOM      0 HG13 ILE A 101      -8.145   3.003  -3.316  1.00  0.30           H   new
ATOM      0 HG21 ILE A 101     -11.244   1.858  -1.471  1.00  0.53           H   new
ATOM      0 HG22 ILE A 101     -12.229   1.768  -2.951  1.00  0.53           H   new
ATOM      0 HG23 ILE A 101     -10.870   0.643  -2.717  1.00  0.53           H   new
ATOM      0 HD11 ILE A 101      -7.752   2.914  -0.862  1.00  0.74           H   new
ATOM      0 HD12 ILE A 101      -9.023   4.101  -1.244  1.00  0.74           H   new
ATOM      0 HD13 ILE A 101      -9.463   2.503  -0.596  1.00  0.74           H   new
ATOM   1565  N   ASN A 102     -12.333   3.238  -5.518  1.00  0.24           N
ATOM   1566  CA  ASN A 102     -13.716   3.146  -6.052  1.00  0.29           C
ATOM   1567  C   ASN A 102     -13.661   2.525  -7.446  1.00  0.28           C
ATOM   1568  O   ASN A 102     -14.670   2.150  -8.010  1.00  0.34           O
ATOM   1569  CB  ASN A 102     -14.311   4.551  -6.143  1.00  0.43           C
ATOM   1570  CG  ASN A 102     -15.775   4.516  -5.703  1.00  1.00           C
ATOM   1571  OD1 ASN A 102     -16.455   3.520  -5.842  1.00  0.91           O
ATOM   1572  ND2 ASN A 102     -16.297   5.586  -5.169  1.00  1.66           N
ATOM      0  H   ASN A 102     -11.974   4.185  -5.396  1.00  0.24           H   new
ATOM      0  HA  ASN A 102     -14.334   2.532  -5.397  1.00  0.29           H   new
ATOM      0  HB2 ASN A 102     -13.747   5.238  -5.512  1.00  0.43           H   new
ATOM      0  HB3 ASN A 102     -14.236   4.923  -7.165  1.00  0.43           H   new
ATOM      0 HD21 ASN A 102     -17.272   5.583  -4.870  1.00  1.66           H   new
ATOM      0 HD22 ASN A 102     -15.730   6.425  -5.050  1.00  1.66           H   new
ATOM   1579  N   GLU A 103     -12.466   2.433  -7.969  1.00  0.24           N
ATOM   1580  CA  GLU A 103     -12.293   1.846  -9.324  1.00  0.30           C
ATOM   1581  C   GLU A 103     -12.383   0.316  -9.263  1.00  0.27           C
ATOM   1582  O   GLU A 103     -13.057  -0.298 -10.066  1.00  0.34           O
ATOM   1583  CB  GLU A 103     -10.920   2.251  -9.867  1.00  0.31           C
ATOM   1584  CG  GLU A 103     -10.963   2.260 -11.396  1.00  0.43           C
ATOM   1585  CD  GLU A 103      -9.552   2.503 -11.938  1.00  0.91           C
ATOM   1586  OE1 GLU A 103      -9.208   3.668 -12.050  1.00  1.35           O
ATOM   1587  OE2 GLU A 103      -8.899   1.510 -12.211  1.00  1.96           O
ATOM      0  H   GLU A 103     -11.606   2.739  -7.515  1.00  0.24           H   new
ATOM      0  HA  GLU A 103     -13.083   2.216  -9.977  1.00  0.30           H   new
ATOM      0  HB2 GLU A 103     -10.645   3.238  -9.494  1.00  0.31           H   new
ATOM      0  HB3 GLU A 103     -10.158   1.554  -9.517  1.00  0.31           H   new
ATOM      0  HG2 GLU A 103     -11.349   1.310 -11.766  1.00  0.43           H   new
ATOM      0  HG3 GLU A 103     -11.640   3.038 -11.748  1.00  0.43           H   new
ATOM   1594  N   LEU A 104     -11.701  -0.266  -8.306  1.00  0.21           N
ATOM   1595  CA  LEU A 104     -11.728  -1.759  -8.191  1.00  0.25           C
ATOM   1596  C   LEU A 104     -12.707  -2.211  -7.097  1.00  0.28           C
ATOM   1597  O   LEU A 104     -12.948  -3.391  -6.931  1.00  0.43           O
ATOM   1598  CB  LEU A 104     -10.324  -2.263  -7.845  1.00  0.23           C
ATOM   1599  CG  LEU A 104      -9.287  -1.574  -8.743  1.00  0.21           C
ATOM   1600  CD1 LEU A 104      -7.926  -2.250  -8.549  1.00  0.20           C
ATOM   1601  CD2 LEU A 104      -9.706  -1.712 -10.209  1.00  0.32           C
ATOM      0  H   LEU A 104     -11.135   0.219  -7.609  1.00  0.21           H   new
ATOM      0  HA  LEU A 104     -12.057  -2.172  -9.144  1.00  0.25           H   new
ATOM      0  HB2 LEU A 104     -10.103  -2.060  -6.797  1.00  0.23           H   new
ATOM      0  HB3 LEU A 104     -10.273  -3.344  -7.978  1.00  0.23           H   new
ATOM      0  HG  LEU A 104      -9.222  -0.519  -8.478  1.00  0.21           H   new
ATOM      0 HD11 LEU A 104      -7.185  -1.765  -9.184  1.00  0.20           H   new
ATOM      0 HD12 LEU A 104      -7.622  -2.163  -7.506  1.00  0.20           H   new
ATOM      0 HD13 LEU A 104      -8.001  -3.303  -8.819  1.00  0.20           H   new
ATOM      0 HD21 LEU A 104      -8.969  -1.222 -10.846  1.00  0.32           H   new
ATOM      0 HD22 LEU A 104      -9.768  -2.768 -10.472  1.00  0.32           H   new
ATOM      0 HD23 LEU A 104     -10.680  -1.244 -10.355  1.00  0.32           H   new
ATOM   1613  N   VAL A 105     -13.254  -1.271  -6.374  1.00  0.16           N
ATOM   1614  CA  VAL A 105     -14.212  -1.654  -5.289  1.00  0.20           C
ATOM   1615  C   VAL A 105     -15.230  -2.667  -5.819  1.00  0.31           C
ATOM   1616  O   VAL A 105     -15.564  -3.552  -5.049  1.00  0.92           O
ATOM   1617  CB  VAL A 105     -14.946  -0.407  -4.794  1.00  0.13           C
ATOM   1618  CG1 VAL A 105     -15.900   0.085  -5.886  1.00  0.18           C
ATOM   1619  CG2 VAL A 105     -15.755  -0.760  -3.541  1.00  0.27           C
ATOM   1620  OXT VAL A 105     -15.616  -2.498  -6.964  1.00  1.49           O
ATOM      0  H   VAL A 105     -13.085  -0.271  -6.482  1.00  0.16           H   new
ATOM      0  HA  VAL A 105     -13.656  -2.105  -4.467  1.00  0.20           H   new
ATOM      0  HB  VAL A 105     -14.223   0.374  -4.558  1.00  0.13           H   new
ATOM      0 HG11 VAL A 105     -16.425   0.974  -5.537  1.00  0.18           H   new
ATOM      0 HG12 VAL A 105     -15.331   0.329  -6.783  1.00  0.18           H   new
ATOM      0 HG13 VAL A 105     -16.624  -0.697  -6.116  1.00  0.18           H   new
ATOM      0 HG21 VAL A 105     -16.280   0.127  -3.185  1.00  0.27           H   new
ATOM      0 HG22 VAL A 105     -16.479  -1.538  -3.783  1.00  0.27           H   new
ATOM      0 HG23 VAL A 105     -15.082  -1.120  -2.763  1.00  0.27           H   new