USER  MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17
USER  MOD reduce.3.24.130724 removed 586 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   7 THR OG1 :   rot  167:sc=   0.181
USER  MOD Set 1.2: A   9 THR OG1 :   rot  -35:sc=   0.189
USER  MOD Single : A   1 MET CE  :methyl -130:sc= -0.0703   (180deg=-1.8)
USER  MOD Single : A   1 MET N   :NH3+    154:sc=    1.25   (180deg=1.2)
USER  MOD Single : A   2 GLN     :      amide:sc=       0  X(o=0,f=-0.12)
USER  MOD Single : A   6 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  11 LYS NZ  :NH3+   -132:sc=    1.19   (180deg=-0.472!)
USER  MOD Single : A  12 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  14 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  20 SER OG  :   rot  180:sc=  0.0744
USER  MOD Single : A  22 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  25 ASN     :      amide:sc=  0.0564  K(o=0.056,f=-1.1)
USER  MOD Single : A  27 LYS NZ  :NH3+   -170:sc=    2.21   (180deg=2.1)
USER  MOD Single : A  29 LYS NZ  :NH3+   -179:sc=       0   (180deg=-0.00713)
USER  MOD Single : A  31 GLN     :      amide:sc=-0.000119  K(o=-0.00012,f=-1.2)
USER  MOD Single : A  33 LYS NZ  :NH3+    171:sc=       0   (180deg=-0.0864)
USER  MOD Single : A  40 GLN     :      amide:sc=  -0.415  X(o=-0.42,f=-0.19)
USER  MOD Single : A  41 GLN     :      amide:sc=   0.625  K(o=0.62,f=-5.9!)
USER  MOD Single : A  48 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  49 GLN     :      amide:sc=       0  K(o=0,f=-0.63)
USER  MOD Single : A  55 THR OG1 :   rot  -50:sc=    1.16
USER  MOD Single : A  57 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  59 TYR OH  :   rot  -52:sc=   0.274
USER  MOD Single : A  60 ASN     :      amide:sc=-0.00966  X(o=-0.0097,f=0)
USER  MOD Single : A  62 GLN     :      amide:sc= -0.0682  K(o=-0.068,f=-1)
USER  MOD Single : A  63 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  65 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  66 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  68 HIS     :     no HD1:sc=       0  X(o=0,f=0)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   MET A   1     -12.678   1.289  -7.265  1.00  9.67           N
ATOM      2  CA  MET A   1     -12.747   2.260  -6.150  1.00 10.38           C
ATOM      3  C   MET A   1     -11.556   3.124  -5.912  1.00  9.62           C
ATOM      4  O   MET A   1     -10.487   2.830  -6.444  1.00  9.62           O
ATOM      5  CB  MET A   1     -12.987   1.552  -4.806  1.00 13.77           C
ATOM      6  CG  MET A   1     -11.939   0.585  -4.252  1.00 16.29           C
ATOM      7  SD  MET A   1     -12.501  -0.191  -2.707  1.00 17.17           S
ATOM      8  CE  MET A   1     -10.939  -1.058  -2.379  1.00 16.11           C
ATOM      0  H1  MET A   1     -13.317   0.492  -7.071  1.00  9.67           H   new
ATOM      0  H2  MET A   1     -12.965   1.755  -8.149  1.00  9.67           H   new
ATOM      0  H3  MET A   1     -11.704   0.937  -7.359  1.00  9.67           H   new
ATOM      0  HA  MET A   1     -13.566   2.897  -6.483  1.00 10.38           H   new
ATOM      0  HB2 MET A   1     -13.142   2.327  -4.055  1.00 13.77           H   new
ATOM      0  HB3 MET A   1     -13.923   1.000  -4.893  1.00 13.77           H   new
ATOM      0  HG2 MET A   1     -11.727  -0.187  -4.992  1.00 16.29           H   new
ATOM      0  HG3 MET A   1     -11.006   1.120  -4.074  1.00 16.29           H   new
ATOM      0  HE1 MET A   1     -11.143  -2.108  -2.167  1.00 16.11           H   new
ATOM      0  HE2 MET A   1     -10.291  -0.983  -3.252  1.00 16.11           H   new
ATOM      0  HE3 MET A   1     -10.444  -0.604  -1.520  1.00 16.11           H   new
ATOM     20  N   GLN A   2     -11.759   4.211  -5.147  1.00  9.27           N
ATOM     21  CA  GLN A   2     -10.606   4.943  -4.723  1.00  9.07           C
ATOM     22  C   GLN A   2     -10.173   4.616  -3.335  1.00  8.72           C
ATOM     23  O   GLN A   2     -11.065   4.591  -2.488  1.00  8.22           O
ATOM     24  CB  GLN A   2     -10.842   6.463  -4.697  1.00 14.46           C
ATOM     25  CG  GLN A   2     -11.027   6.914  -6.147  1.00 17.01           C
ATOM     26  CD  GLN A   2     -11.281   8.410  -6.267  1.00 20.10           C
ATOM     27  OE1 GLN A   2     -10.521   9.027  -7.011  1.00 21.89           O
ATOM     28  NE2 GLN A   2     -12.263   9.007  -5.540  1.00 19.49           N
ATOM      0  H   GLN A   2     -12.663   4.568  -4.837  1.00  9.27           H   new
ATOM      0  HA  GLN A   2      -9.853   4.654  -5.456  1.00  9.07           H   new
ATOM      0  HB2 GLN A   2     -11.723   6.706  -4.103  1.00 14.46           H   new
ATOM      0  HB3 GLN A   2      -9.997   6.976  -4.239  1.00 14.46           H   new
ATOM      0  HG2 GLN A   2     -10.138   6.653  -6.721  1.00 17.01           H   new
ATOM      0  HG3 GLN A   2     -11.862   6.371  -6.589  1.00 17.01           H   new
ATOM      0 HE21 GLN A   2     -12.865   8.445  -4.938  1.00 19.49           H   new
ATOM      0 HE22 GLN A   2     -12.397  10.017  -5.597  1.00 19.49           H   new
ATOM     37  N   ILE A   3      -8.870   4.402  -3.081  1.00  5.87           N
ATOM     38  CA  ILE A   3      -8.392   4.252  -1.741  1.00  5.07           C
ATOM     39  C   ILE A   3      -7.217   5.156  -1.589  1.00  4.01           C
ATOM     40  O   ILE A   3      -6.528   5.594  -2.509  1.00  4.61           O
ATOM     41  CB  ILE A   3      -7.877   2.872  -1.458  1.00  6.55           C
ATOM     42  CG1 ILE A   3      -6.819   2.387  -2.463  1.00  4.72           C
ATOM     43  CG2 ILE A   3      -9.084   1.921  -1.382  1.00  5.58           C
ATOM     44  CD1 ILE A   3      -6.023   1.216  -1.887  1.00 10.83           C
ATOM      0  H   ILE A   3      -8.150   4.333  -3.800  1.00  5.87           H   new
ATOM      0  HA  ILE A   3      -9.222   4.469  -1.069  1.00  5.07           H   new
ATOM      0  HB  ILE A   3      -7.348   2.888  -0.505  1.00  6.55           H   new
ATOM      0 HG12 ILE A   3      -7.304   2.082  -3.390  1.00  4.72           H   new
ATOM      0 HG13 ILE A   3      -6.143   3.206  -2.711  1.00  4.72           H   new
ATOM      0 HG21 ILE A   3      -8.737   0.908  -1.177  1.00  5.58           H   new
ATOM      0 HG22 ILE A   3      -9.752   2.244  -0.584  1.00  5.58           H   new
ATOM      0 HG23 ILE A   3      -9.619   1.936  -2.332  1.00  5.58           H   new
ATOM      0 HD11 ILE A   3      -5.280   0.888  -2.614  1.00 10.83           H   new
ATOM      0 HD12 ILE A   3      -5.521   1.532  -0.973  1.00 10.83           H   new
ATOM      0 HD13 ILE A   3      -6.700   0.391  -1.663  1.00 10.83           H   new
ATOM     56  N   PHE A   4      -6.906   5.578  -0.351  1.00  4.55           N
ATOM     57  CA  PHE A   4      -6.084   6.717  -0.084  1.00  4.68           C
ATOM     58  C   PHE A   4      -4.894   6.242   0.677  1.00  5.30           C
ATOM     59  O   PHE A   4      -4.957   6.042   1.889  1.00  5.58           O
ATOM     60  CB  PHE A   4      -6.891   7.671   0.813  1.00  4.83           C
ATOM     61  CG  PHE A   4      -8.180   8.147   0.238  1.00  7.97           C
ATOM     62  CD1 PHE A   4      -8.392   8.792  -0.958  1.00  6.69           C
ATOM     63  CD2 PHE A   4      -9.233   7.968   1.104  1.00  8.34           C
ATOM     64  CE1 PHE A   4      -9.624   9.294  -1.307  1.00  9.10           C
ATOM     65  CE2 PHE A   4     -10.489   8.430   0.786  1.00 10.61           C
ATOM     66  CZ  PHE A   4     -10.647   9.084  -0.412  1.00  8.90           C
ATOM      0  H   PHE A   4      -7.238   5.111   0.493  1.00  4.55           H   new
ATOM      0  HA  PHE A   4      -5.779   7.218  -1.003  1.00  4.68           H   new
ATOM      0  HB2 PHE A   4      -7.097   7.168   1.758  1.00  4.83           H   new
ATOM      0  HB3 PHE A   4      -6.272   8.538   1.042  1.00  4.83           H   new
ATOM      0  HD1 PHE A   4      -7.566   8.908  -1.644  1.00  6.69           H   new
ATOM      0  HD2 PHE A   4      -9.072   7.460   2.043  1.00  8.34           H   new
ATOM      0  HE1 PHE A   4      -9.780   9.825  -2.235  1.00  9.10           H   new
ATOM      0  HE2 PHE A   4     -11.323   8.284   1.456  1.00 10.61           H   new
ATOM      0  HZ  PHE A   4     -11.630   9.454  -0.665  1.00  8.90           H   new
ATOM     76  N   VAL A   5      -3.826   6.227  -0.141  1.00  4.44           N
ATOM     77  CA  VAL A   5      -2.523   5.870   0.329  1.00  3.87           C
ATOM     78  C   VAL A   5      -1.891   7.098   0.889  1.00  4.93           C
ATOM     79  O   VAL A   5      -1.468   7.999   0.166  1.00  6.84           O
ATOM     80  CB  VAL A   5      -1.646   5.218  -0.698  1.00  2.99           C
ATOM     81  CG1 VAL A   5      -0.295   4.791  -0.099  1.00  5.28           C
ATOM     82  CG2 VAL A   5      -2.347   3.927  -1.150  1.00  9.13           C
ATOM      0  H   VAL A   5      -3.866   6.463  -1.132  1.00  4.44           H   new
ATOM      0  HA  VAL A   5      -2.641   5.103   1.095  1.00  3.87           H   new
ATOM      0  HB  VAL A   5      -1.477   5.927  -1.508  1.00  2.99           H   new
ATOM      0 HG11 VAL A   5       0.314   4.322  -0.872  1.00  5.28           H   new
ATOM      0 HG12 VAL A   5       0.224   5.667   0.290  1.00  5.28           H   new
ATOM      0 HG13 VAL A   5      -0.464   4.080   0.710  1.00  5.28           H   new
ATOM      0 HG21 VAL A   5      -1.736   3.424  -1.900  1.00  9.13           H   new
ATOM      0 HG22 VAL A   5      -2.484   3.268  -0.293  1.00  9.13           H   new
ATOM      0 HG23 VAL A   5      -3.319   4.172  -1.579  1.00  9.13           H   new
ATOM     92  N   LYS A   6      -1.946   7.174   2.230  1.00  6.04           N
ATOM     93  CA  LYS A   6      -1.456   8.279   2.994  1.00  6.12           C
ATOM     94  C   LYS A   6      -0.042   8.034   3.394  1.00  6.57           C
ATOM     95  O   LYS A   6       0.283   7.056   4.065  1.00  5.76           O
ATOM     96  CB  LYS A   6      -2.411   8.561   4.167  1.00  7.45           C
ATOM     97  CG  LYS A   6      -3.724   9.170   3.670  1.00 11.12           C
ATOM     98  CD  LYS A   6      -4.652   9.569   4.819  1.00 14.54           C
ATOM     99  CE  LYS A   6      -5.957  10.176   4.302  1.00 18.84           C
ATOM    100  NZ  LYS A   6      -6.637  10.804   5.457  1.00 20.55           N
ATOM      0  H   LYS A   6      -2.349   6.435   2.806  1.00  6.04           H   new
ATOM      0  HA  LYS A   6      -1.439   9.189   2.395  1.00  6.12           H   new
ATOM      0  HB2 LYS A   6      -2.616   7.635   4.705  1.00  7.45           H   new
ATOM      0  HB3 LYS A   6      -1.935   9.241   4.873  1.00  7.45           H   new
ATOM      0  HG2 LYS A   6      -3.507  10.047   3.060  1.00 11.12           H   new
ATOM      0  HG3 LYS A   6      -4.234   8.453   3.027  1.00 11.12           H   new
ATOM      0  HD2 LYS A   6      -4.874   8.694   5.429  1.00 14.54           H   new
ATOM      0  HD3 LYS A   6      -4.146  10.287   5.464  1.00 14.54           H   new
ATOM      0  HE2 LYS A   6      -5.757  10.915   3.526  1.00 18.84           H   new
ATOM      0  HE3 LYS A   6      -6.588   9.408   3.856  1.00 18.84           H   new
ATOM      0  HZ1 LYS A   6      -7.533  11.230   5.143  1.00 20.55           H   new
ATOM      0  HZ2 LYS A   6      -6.831  10.082   6.180  1.00 20.55           H   new
ATOM      0  HZ3 LYS A   6      -6.026  11.542   5.860  1.00 20.55           H   new
ATOM    114  N   THR A   7       0.824   8.959   2.941  1.00  7.41           N
ATOM    115  CA  THR A   7       2.239   8.981   3.143  1.00  7.48           C
ATOM    116  C   THR A   7       2.642   9.371   4.524  1.00  8.75           C
ATOM    117  O   THR A   7       1.765   9.529   5.371  1.00  8.58           O
ATOM    118  CB  THR A   7       2.923   9.812   2.098  1.00  9.61           C
ATOM    119  OG1 THR A   7       3.072  11.201   2.355  1.00 11.78           O
ATOM    120  CG2 THR A   7       2.376   9.597   0.677  1.00  9.17           C
ATOM      0  H   THR A   7       0.506   9.755   2.389  1.00  7.41           H   new
ATOM      0  HA  THR A   7       2.578   7.951   3.029  1.00  7.48           H   new
ATOM      0  HB  THR A   7       3.932   9.406   2.164  1.00  9.61           H   new
ATOM      0  HG1 THR A   7       3.705  11.586   1.713  1.00 11.78           H   new
ATOM      0 HG21 THR A   7       2.920  10.232  -0.022  1.00  9.17           H   new
ATOM      0 HG22 THR A   7       2.502   8.552   0.393  1.00  9.17           H   new
ATOM      0 HG23 THR A   7       1.317   9.854   0.652  1.00  9.17           H   new
ATOM    128  N   LEU A   8       3.945   9.547   4.808  1.00  9.84           N
ATOM    129  CA  LEU A   8       4.458   9.972   6.073  1.00 14.15           C
ATOM    130  C   LEU A   8       4.354  11.424   6.390  1.00 17.37           C
ATOM    131  O   LEU A   8       4.106  11.784   7.539  1.00 17.01           O
ATOM    132  CB  LEU A   8       5.936   9.548   6.128  1.00 16.63           C
ATOM    133  CG  LEU A   8       6.821  10.090   7.263  1.00 18.88           C
ATOM    134  CD1 LEU A   8       6.498   9.356   8.575  1.00 18.59           C
ATOM    135  CD2 LEU A   8       8.297   9.798   6.943  1.00 19.31           C
ATOM      0  H   LEU A   8       4.679   9.384   4.118  1.00  9.84           H   new
ATOM      0  HA  LEU A   8       3.829   9.497   6.826  1.00 14.15           H   new
ATOM      0  HB2 LEU A   8       5.965   8.460   6.178  1.00 16.63           H   new
ATOM      0  HB3 LEU A   8       6.397   9.836   5.183  1.00 16.63           H   new
ATOM      0  HG  LEU A   8       6.638  11.160   7.360  1.00 18.88           H   new
ATOM      0 HD11 LEU A   8       7.129   9.745   9.374  1.00 18.59           H   new
ATOM      0 HD12 LEU A   8       5.450   9.512   8.831  1.00 18.59           H   new
ATOM      0 HD13 LEU A   8       6.686   8.290   8.451  1.00 18.59           H   new
ATOM      0 HD21 LEU A   8       8.926  10.181   7.746  1.00 19.31           H   new
ATOM      0 HD22 LEU A   8       8.443   8.722   6.850  1.00 19.31           H   new
ATOM      0 HD23 LEU A   8       8.569  10.284   6.006  1.00 19.31           H   new
ATOM    147  N   THR A   9       4.439  12.294   5.367  1.00 18.33           N
ATOM    148  CA  THR A   9       4.188  13.702   5.397  1.00 19.24           C
ATOM    149  C   THR A   9       2.755  14.074   5.564  1.00 19.48           C
ATOM    150  O   THR A   9       2.514  15.164   6.079  1.00 23.14           O
ATOM    151  CB  THR A   9       4.730  14.366   4.166  1.00 18.97           C
ATOM    152  OG1 THR A   9       4.077  14.099   2.934  1.00 20.24           O
ATOM    153  CG2 THR A   9       6.218  13.989   4.061  1.00 19.70           C
ATOM      0  H   THR A   9       4.708  11.981   4.434  1.00 18.33           H   new
ATOM      0  HA  THR A   9       4.707  14.058   6.287  1.00 19.24           H   new
ATOM      0  HB  THR A   9       4.552  15.432   4.306  1.00 18.97           H   new
ATOM      0  HG1 THR A   9       3.766  13.170   2.923  1.00 20.24           H   new
ATOM      0 HG21 THR A   9       6.650  14.454   3.175  1.00 19.70           H   new
ATOM      0 HG22 THR A   9       6.746  14.339   4.948  1.00 19.70           H   new
ATOM      0 HG23 THR A   9       6.314  12.906   3.985  1.00 19.70           H   new
ATOM    161  N   GLY A  10       1.808  13.262   5.061  1.00 19.43           N
ATOM    162  CA  GLY A  10       0.409  13.536   5.176  1.00 18.74           C
ATOM    163  C   GLY A  10      -0.251  13.932   3.900  1.00 17.62           C
ATOM    164  O   GLY A  10      -1.331  14.517   3.971  1.00 19.74           O
ATOM      0  H   GLY A  10       2.019  12.397   4.564  1.00 19.43           H   new
ATOM      0  HA2 GLY A  10      -0.090  12.650   5.569  1.00 18.74           H   new
ATOM      0  HA3 GLY A  10       0.267  14.333   5.906  1.00 18.74           H   new
ATOM    168  N   LYS A  11       0.369  13.602   2.754  1.00 13.56           N
ATOM    169  CA  LYS A  11      -0.215  13.706   1.452  1.00 11.91           C
ATOM    170  C   LYS A  11      -0.940  12.461   1.071  1.00 10.18           C
ATOM    171  O   LYS A  11      -0.581  11.374   1.521  1.00  9.10           O
ATOM    172  CB  LYS A  11       0.693  14.253   0.339  1.00 13.43           C
ATOM    173  CG  LYS A  11       1.779  13.255  -0.069  1.00 16.69           C
ATOM    174  CD  LYS A  11       2.654  13.611  -1.272  1.00 17.92           C
ATOM    175  CE  LYS A  11       3.542  12.488  -1.812  1.00 20.81           C
ATOM    176  NZ  LYS A  11       4.070  12.692  -3.180  1.00 21.93           N
ATOM      0  H   LYS A  11       1.324  13.245   2.734  1.00 13.56           H   new
ATOM      0  HA  LYS A  11      -0.953  14.502   1.553  1.00 11.91           H   new
ATOM      0  HB2 LYS A  11       0.086  14.502  -0.532  1.00 13.43           H   new
ATOM      0  HB3 LYS A  11       1.161  15.178   0.677  1.00 13.43           H   new
ATOM      0  HG2 LYS A  11       2.434  13.102   0.789  1.00 16.69           H   new
ATOM      0  HG3 LYS A  11       1.296  12.300  -0.276  1.00 16.69           H   new
ATOM      0  HD2 LYS A  11       2.006  13.954  -2.078  1.00 17.92           H   new
ATOM      0  HD3 LYS A  11       3.292  14.451  -0.996  1.00 17.92           H   new
ATOM      0  HE2 LYS A  11       4.384  12.357  -1.133  1.00 20.81           H   new
ATOM      0  HE3 LYS A  11       2.972  11.559  -1.797  1.00 20.81           H   new
ATOM      0  HZ1 LYS A  11       3.917  11.831  -3.743  1.00 21.93           H   new
ATOM      0  HZ2 LYS A  11       3.576  13.491  -3.627  1.00 21.93           H   new
ATOM      0  HZ3 LYS A  11       5.088  12.897  -3.132  1.00 21.93           H   new
ATOM    190  N   THR A  12      -2.083  12.549   0.367  1.00  9.63           N
ATOM    191  CA  THR A  12      -2.816  11.403  -0.073  1.00  9.85           C
ATOM    192  C   THR A  12      -2.467  11.131  -1.496  1.00 11.66           C
ATOM    193  O   THR A  12      -2.544  11.977  -2.385  1.00 12.33           O
ATOM    194  CB  THR A  12      -4.294  11.660  -0.090  1.00 10.85           C
ATOM    195  OG1 THR A  12      -4.690  11.823   1.264  1.00 10.91           O
ATOM    196  CG2 THR A  12      -5.069  10.434  -0.602  1.00  9.63           C
ATOM      0  H   THR A  12      -2.507  13.437   0.098  1.00  9.63           H   new
ATOM      0  HA  THR A  12      -2.570  10.587   0.607  1.00  9.85           H   new
ATOM      0  HB  THR A  12      -4.498  12.521  -0.727  1.00 10.85           H   new
ATOM      0  HG1 THR A  12      -5.654  11.996   1.304  1.00 10.91           H   new
ATOM      0 HG21 THR A  12      -6.137  10.653  -0.602  1.00  9.63           H   new
ATOM      0 HG22 THR A  12      -4.747  10.197  -1.616  1.00  9.63           H   new
ATOM      0 HG23 THR A  12      -4.873   9.582   0.049  1.00  9.63           H   new
ATOM    204  N   ILE A  13      -2.131   9.871  -1.823  1.00 10.42           N
ATOM    205  CA  ILE A  13      -1.926   9.347  -3.138  1.00 11.84           C
ATOM    206  C   ILE A  13      -3.167   8.535  -3.282  1.00 10.55           C
ATOM    207  O   ILE A  13      -3.365   7.481  -2.680  1.00 11.92           O
ATOM    208  CB  ILE A  13      -0.730   8.443  -3.139  1.00 14.86           C
ATOM    209  CG1 ILE A  13       0.520   9.227  -2.704  1.00 14.87           C
ATOM    210  CG2 ILE A  13      -0.538   7.957  -4.585  1.00 17.08           C
ATOM    211  CD1 ILE A  13       1.751   8.330  -2.583  1.00 16.46           C
ATOM      0  H   ILE A  13      -1.991   9.160  -1.106  1.00 10.42           H   new
ATOM      0  HA  ILE A  13      -1.757  10.089  -3.918  1.00 11.84           H   new
ATOM      0  HB  ILE A  13      -0.876   7.610  -2.452  1.00 14.86           H   new
ATOM      0 HG12 ILE A  13       0.719  10.019  -3.426  1.00 14.87           H   new
ATOM      0 HG13 ILE A  13       0.329   9.710  -1.746  1.00 14.87           H   new
ATOM      0 HG21 ILE A  13       0.325   7.293  -4.634  1.00 17.08           H   new
ATOM      0 HG22 ILE A  13      -1.429   7.419  -4.909  1.00 17.08           H   new
ATOM      0 HG23 ILE A  13      -0.374   8.814  -5.238  1.00 17.08           H   new
ATOM      0 HD11 ILE A  13       2.608   8.928  -2.274  1.00 16.46           H   new
ATOM      0 HD12 ILE A  13       1.564   7.553  -1.841  1.00 16.46           H   new
ATOM      0 HD13 ILE A  13       1.961   7.868  -3.548  1.00 16.46           H   new
ATOM    223  N   THR A  14      -4.123   9.054  -4.074  1.00  9.39           N
ATOM    224  CA  THR A  14      -5.280   8.268  -4.369  1.00  9.63           C
ATOM    225  C   THR A  14      -4.973   7.177  -5.337  1.00 11.20           C
ATOM    226  O   THR A  14      -4.551   7.398  -6.471  1.00 11.63           O
ATOM    227  CB  THR A  14      -6.359   9.136  -4.945  1.00 10.38           C
ATOM    228  OG1 THR A  14      -6.626  10.282  -4.149  1.00 16.30           O
ATOM    229  CG2 THR A  14      -7.698   8.380  -4.950  1.00 11.66           C
ATOM      0  H   THR A  14      -4.100   9.982  -4.496  1.00  9.39           H   new
ATOM      0  HA  THR A  14      -5.615   7.819  -3.434  1.00  9.63           H   new
ATOM      0  HB  THR A  14      -6.002   9.414  -5.937  1.00 10.38           H   new
ATOM      0  HG1 THR A  14      -7.334  10.814  -4.569  1.00 16.30           H   new
ATOM      0 HG21 THR A  14      -8.475   9.019  -5.370  1.00 11.66           H   new
ATOM      0 HG22 THR A  14      -7.604   7.478  -5.554  1.00 11.66           H   new
ATOM      0 HG23 THR A  14      -7.965   8.107  -3.929  1.00 11.66           H   new
ATOM    237  N   LEU A  15      -5.138   5.876  -5.036  1.00  8.29           N
ATOM    238  CA  LEU A  15      -5.031   4.851  -6.028  1.00  9.03           C
ATOM    239  C   LEU A  15      -6.341   4.356  -6.536  1.00  8.59           C
ATOM    240  O   LEU A  15      -7.160   4.019  -5.682  1.00  7.79           O
ATOM    241  CB  LEU A  15      -4.266   3.683  -5.382  1.00 11.08           C
ATOM    242  CG  LEU A  15      -2.869   3.987  -4.816  1.00 15.79           C
ATOM    243  CD1 LEU A  15      -2.371   2.608  -4.350  1.00 15.27           C
ATOM    244  CD2 LEU A  15      -1.826   4.476  -5.835  1.00 15.88           C
ATOM      0  H   LEU A  15      -5.347   5.532  -4.099  1.00  8.29           H   new
ATOM      0  HA  LEU A  15      -4.519   5.271  -6.894  1.00  9.03           H   new
ATOM      0  HB2 LEU A  15      -4.879   3.284  -4.574  1.00 11.08           H   new
ATOM      0  HB3 LEU A  15      -4.165   2.893  -6.126  1.00 11.08           H   new
ATOM      0  HG  LEU A  15      -2.964   4.779  -4.073  1.00 15.79           H   new
ATOM      0 HD11 LEU A  15      -1.372   2.707  -3.924  1.00 15.27           H   new
ATOM      0 HD12 LEU A  15      -3.050   2.212  -3.595  1.00 15.27           H   new
ATOM      0 HD13 LEU A  15      -2.337   1.927  -5.200  1.00 15.27           H   new
ATOM      0 HD21 LEU A  15      -0.879   4.659  -5.327  1.00 15.88           H   new
ATOM      0 HD22 LEU A  15      -1.684   3.716  -6.604  1.00 15.88           H   new
ATOM      0 HD23 LEU A  15      -2.174   5.399  -6.298  1.00 15.88           H   new
ATOM    256  N   GLU A  16      -6.550   4.369  -7.865  1.00 11.04           N
ATOM    257  CA  GLU A  16      -7.735   3.810  -8.438  1.00 11.50           C
ATOM    258  C   GLU A  16      -7.696   2.324  -8.543  1.00 10.13           C
ATOM    259  O   GLU A  16      -7.135   1.821  -9.515  1.00  9.83           O
ATOM    260  CB  GLU A  16      -8.048   4.577  -9.733  1.00 17.22           C
ATOM    261  CG  GLU A  16      -8.329   6.061  -9.489  1.00 23.33           C
ATOM    262  CD  GLU A  16      -8.766   6.802 -10.744  1.00 26.99           C
ATOM    263  OE1 GLU A  16      -8.001   6.882 -11.742  1.00 28.90           O
ATOM    264  OE2 GLU A  16      -9.931   7.266 -10.873  1.00 28.86           O
ATOM      0  H   GLU A  16      -5.899   4.766  -8.542  1.00 11.04           H   new
ATOM      0  HA  GLU A  16      -8.585   3.950  -7.770  1.00 11.50           H   new
ATOM      0  HB2 GLU A  16      -7.208   4.479 -10.420  1.00 17.22           H   new
ATOM      0  HB3 GLU A  16      -8.912   4.123 -10.219  1.00 17.22           H   new
ATOM      0  HG2 GLU A  16      -9.105   6.157  -8.729  1.00 23.33           H   new
ATOM      0  HG3 GLU A  16      -7.431   6.533  -9.090  1.00 23.33           H   new
ATOM    271  N   VAL A  17      -8.191   1.530  -7.577  1.00  8.99           N
ATOM    272  CA  VAL A  17      -8.086   0.104  -7.612  1.00  8.85           C
ATOM    273  C   VAL A  17      -9.391  -0.543  -7.301  1.00  8.04           C
ATOM    274  O   VAL A  17     -10.324   0.063  -6.777  1.00  8.99           O
ATOM    275  CB  VAL A  17      -6.876  -0.375  -6.866  1.00  9.78           C
ATOM    276  CG1 VAL A  17      -5.560  -0.011  -7.574  1.00 12.05           C
ATOM    277  CG2 VAL A  17      -6.948   0.320  -5.495  1.00 10.54           C
ATOM      0  H   VAL A  17      -8.675   1.887  -6.753  1.00  8.99           H   new
ATOM      0  HA  VAL A  17      -7.887  -0.235  -8.629  1.00  8.85           H   new
ATOM      0  HB  VAL A  17      -6.878  -1.463  -6.794  1.00  9.78           H   new
ATOM      0 HG11 VAL A  17      -4.718  -0.382  -6.990  1.00 12.05           H   new
ATOM      0 HG12 VAL A  17      -5.542  -0.465  -8.565  1.00 12.05           H   new
ATOM      0 HG13 VAL A  17      -5.486   1.072  -7.670  1.00 12.05           H   new
ATOM      0 HG21 VAL A  17      -6.093   0.019  -4.889  1.00 10.54           H   new
ATOM      0 HG22 VAL A  17      -6.932   1.401  -5.634  1.00 10.54           H   new
ATOM      0 HG23 VAL A  17      -7.870   0.033  -4.990  1.00 10.54           H   new
ATOM    287  N   GLU A  18      -9.597  -1.847  -7.562  1.00  7.29           N
ATOM    288  CA  GLU A  18     -10.775  -2.566  -7.190  1.00  7.08           C
ATOM    289  C   GLU A  18     -10.529  -3.296  -5.915  1.00  6.45           C
ATOM    290  O   GLU A  18      -9.340  -3.439  -5.632  1.00  5.28           O
ATOM    291  CB  GLU A  18     -11.147  -3.500  -8.354  1.00 10.28           C
ATOM    292  CG  GLU A  18     -11.678  -2.775  -9.593  1.00 12.65           C
ATOM    293  CD  GLU A  18     -11.544  -3.657 -10.826  1.00 14.15           C
ATOM    294  OE1 GLU A  18     -12.370  -4.594 -10.999  1.00 18.17           O
ATOM    295  OE2 GLU A  18     -10.606  -3.328 -11.600  1.00 14.33           O
ATOM      0  H   GLU A  18      -8.914  -2.424  -8.053  1.00  7.29           H   new
ATOM      0  HA  GLU A  18     -11.616  -1.897  -7.009  1.00  7.08           H   new
ATOM      0  HB2 GLU A  18     -10.268  -4.080  -8.635  1.00 10.28           H   new
ATOM      0  HB3 GLU A  18     -11.901  -4.209  -8.010  1.00 10.28           H   new
ATOM      0  HG2 GLU A  18     -12.724  -2.505  -9.444  1.00 12.65           H   new
ATOM      0  HG3 GLU A  18     -11.127  -1.846  -9.742  1.00 12.65           H   new
ATOM    302  N   PRO A  19     -11.440  -3.824  -5.153  1.00  7.24           N
ATOM    303  CA  PRO A  19     -11.114  -4.771  -4.127  1.00  7.07           C
ATOM    304  C   PRO A  19     -10.445  -6.050  -4.494  1.00  6.65           C
ATOM    305  O   PRO A  19      -9.914  -6.689  -3.587  1.00  6.37           O
ATOM    306  CB  PRO A  19     -12.415  -5.053  -3.377  1.00  7.61           C
ATOM    307  CG  PRO A  19     -13.275  -3.804  -3.623  1.00  8.16           C
ATOM    308  CD  PRO A  19     -12.832  -3.415  -5.043  1.00  7.49           C
ATOM      0  HA  PRO A  19     -10.329  -4.294  -3.540  1.00  7.07           H   new
ATOM      0  HB2 PRO A  19     -12.903  -5.952  -3.752  1.00  7.61           H   new
ATOM      0  HB3 PRO A  19     -12.235  -5.209  -2.313  1.00  7.61           H   new
ATOM      0  HG2 PRO A  19     -14.342  -4.021  -3.569  1.00  8.16           H   new
ATOM      0  HG3 PRO A  19     -13.073  -3.016  -2.898  1.00  8.16           H   new
ATOM      0  HD2 PRO A  19     -13.446  -3.913  -5.794  1.00  7.49           H   new
ATOM      0  HD3 PRO A  19     -12.938  -2.342  -5.205  1.00  7.49           H   new
ATOM    316  N   SER A  20     -10.567  -6.541  -5.741  1.00  6.80           N
ATOM    317  CA  SER A  20      -9.922  -7.686  -6.304  1.00  6.28           C
ATOM    318  C   SER A  20      -8.440  -7.542  -6.367  1.00  8.45           C
ATOM    319  O   SER A  20      -7.706  -8.521  -6.494  1.00  7.26           O
ATOM    320  CB  SER A  20     -10.502  -8.035  -7.685  1.00  8.57           C
ATOM    321  OG  SER A  20     -10.802  -6.840  -8.391  1.00 11.13           O
ATOM      0  H   SER A  20     -11.179  -6.089  -6.420  1.00  6.80           H   new
ATOM      0  HA  SER A  20     -10.128  -8.516  -5.628  1.00  6.28           H   new
ATOM      0  HB2 SER A  20      -9.788  -8.634  -8.250  1.00  8.57           H   new
ATOM      0  HB3 SER A  20     -11.403  -8.638  -7.571  1.00  8.57           H   new
ATOM      0  HG  SER A  20     -11.170  -7.064  -9.271  1.00 11.13           H   new
ATOM    327  N   ASP A  21      -7.878  -6.320  -6.359  1.00  7.50           N
ATOM    328  CA  ASP A  21      -6.493  -6.036  -6.572  1.00  7.70           C
ATOM    329  C   ASP A  21      -5.717  -6.402  -5.353  1.00  7.08           C
ATOM    330  O   ASP A  21      -6.191  -6.458  -4.220  1.00  8.11           O
ATOM    331  CB  ASP A  21      -6.283  -4.551  -6.912  1.00 11.00           C
ATOM    332  CG  ASP A  21      -6.507  -4.462  -8.415  1.00 15.32           C
ATOM    333  OD1 ASP A  21      -5.796  -5.216  -9.132  1.00 18.03           O
ATOM    334  OD2 ASP A  21      -7.387  -3.678  -8.858  1.00 14.36           O
ATOM      0  H   ASP A  21      -8.427  -5.477  -6.193  1.00  7.50           H   new
ATOM      0  HA  ASP A  21      -6.140  -6.627  -7.417  1.00  7.70           H   new
ATOM      0  HB2 ASP A  21      -6.985  -3.918  -6.369  1.00 11.00           H   new
ATOM      0  HB3 ASP A  21      -5.280  -4.221  -6.641  1.00 11.00           H   new
ATOM    339  N   THR A  22      -4.464  -6.811  -5.621  1.00  5.37           N
ATOM    340  CA  THR A  22      -3.543  -7.192  -4.596  1.00  6.01           C
ATOM    341  C   THR A  22      -2.825  -5.984  -4.101  1.00  8.01           C
ATOM    342  O   THR A  22      -2.925  -4.863  -4.597  1.00  8.11           O
ATOM    343  CB  THR A  22      -2.481  -8.158  -5.030  1.00  8.92           C
ATOM    344  OG1 THR A  22      -1.892  -7.868  -6.289  1.00 10.22           O
ATOM    345  CG2 THR A  22      -3.139  -9.544  -5.136  1.00  9.65           C
ATOM      0  H   THR A  22      -4.084  -6.878  -6.565  1.00  5.37           H   new
ATOM      0  HA  THR A  22      -4.157  -7.679  -3.838  1.00  6.01           H   new
ATOM      0  HB  THR A  22      -1.682  -8.099  -4.291  1.00  8.92           H   new
ATOM      0  HG1 THR A  22      -1.211  -8.542  -6.495  1.00 10.22           H   new
ATOM      0 HG21 THR A  22      -2.396 -10.277  -5.450  1.00  9.65           H   new
ATOM      0 HG22 THR A  22      -3.543  -9.830  -4.165  1.00  9.65           H   new
ATOM      0 HG23 THR A  22      -3.946  -9.509  -5.868  1.00  9.65           H   new
ATOM    353  N   ILE A  23      -2.041  -6.129  -3.017  1.00  8.32           N
ATOM    354  CA  ILE A  23      -1.225  -5.100  -2.451  1.00  9.92           C
ATOM    355  C   ILE A  23      -0.020  -4.966  -3.318  1.00 10.01           C
ATOM    356  O   ILE A  23       0.539  -3.877  -3.444  1.00  8.71           O
ATOM    357  CB  ILE A  23      -0.977  -5.468  -1.018  1.00 10.78           C
ATOM    358  CG1 ILE A  23      -2.268  -5.467  -0.182  1.00 11.38           C
ATOM    359  CG2 ILE A  23       0.213  -4.716  -0.398  1.00 10.90           C
ATOM    360  CD1 ILE A  23      -2.903  -4.079  -0.117  1.00 12.30           C
ATOM      0  H   ILE A  23      -1.973  -7.011  -2.509  1.00  8.32           H   new
ATOM      0  HA  ILE A  23      -1.681  -4.110  -2.426  1.00  9.92           H   new
ATOM      0  HB  ILE A  23      -0.650  -6.508  -1.006  1.00 10.78           H   new
ATOM      0 HG12 ILE A  23      -2.980  -6.172  -0.612  1.00 11.38           H   new
ATOM      0 HG13 ILE A  23      -2.047  -5.813   0.828  1.00 11.38           H   new
ATOM      0 HG21 ILE A  23       0.339  -5.027   0.639  1.00 10.90           H   new
ATOM      0 HG22 ILE A  23       1.120  -4.944  -0.958  1.00 10.90           H   new
ATOM      0 HG23 ILE A  23       0.024  -3.643  -0.435  1.00 10.90           H   new
ATOM      0 HD11 ILE A  23      -3.812  -4.123   0.483  1.00 12.30           H   new
ATOM      0 HD12 ILE A  23      -2.202  -3.379   0.337  1.00 12.30           H   new
ATOM      0 HD13 ILE A  23      -3.149  -3.744  -1.125  1.00 12.30           H   new
ATOM    372  N   GLU A  24       0.355  -6.001  -4.089  1.00  9.54           N
ATOM    373  CA  GLU A  24       1.372  -5.951  -5.093  1.00 11.81           C
ATOM    374  C   GLU A  24       1.096  -4.863  -6.073  1.00 11.14           C
ATOM    375  O   GLU A  24       2.008  -4.067  -6.296  1.00 10.62           O
ATOM    376  CB  GLU A  24       1.574  -7.265  -5.866  1.00 19.24           C
ATOM    377  CG  GLU A  24       2.845  -7.411  -6.704  1.00 27.76           C
ATOM    378  CD  GLU A  24       3.025  -8.846  -7.177  1.00 32.92           C
ATOM    379  OE1 GLU A  24       3.648  -9.663  -6.447  1.00 34.80           O
ATOM    380  OE2 GLU A  24       2.555  -9.283  -8.262  1.00 36.51           O
ATOM      0  H   GLU A  24      -0.074  -6.923  -4.008  1.00  9.54           H   new
ATOM      0  HA  GLU A  24       2.293  -5.759  -4.542  1.00 11.81           H   new
ATOM      0  HB2 GLU A  24       1.551  -8.084  -5.147  1.00 19.24           H   new
ATOM      0  HB3 GLU A  24       0.719  -7.399  -6.528  1.00 19.24           H   new
ATOM      0  HG2 GLU A  24       2.796  -6.744  -7.565  1.00 27.76           H   new
ATOM      0  HG3 GLU A  24       3.710  -7.107  -6.115  1.00 27.76           H   new
ATOM    387  N   ASN A  25      -0.128  -4.703  -6.607  1.00  9.43           N
ATOM    388  CA  ASN A  25      -0.558  -3.725  -7.558  1.00 10.96           C
ATOM    389  C   ASN A  25      -0.653  -2.327  -7.052  1.00  9.68           C
ATOM    390  O   ASN A  25      -0.512  -1.331  -7.761  1.00  9.33           O
ATOM    391  CB  ASN A  25      -1.818  -4.101  -8.356  1.00 16.78           C
ATOM    392  CG  ASN A  25      -1.673  -5.354  -9.207  1.00 22.31           C
ATOM    393  OD1 ASN A  25      -0.552  -5.799  -9.447  1.00 25.66           O
ATOM    394  ND2 ASN A  25      -2.697  -5.865  -9.942  1.00 24.70           N
ATOM      0  H   ASN A  25      -0.893  -5.324  -6.344  1.00  9.43           H   new
ATOM      0  HA  ASN A  25       0.279  -3.740  -8.256  1.00 10.96           H   new
ATOM      0  HB2 ASN A  25      -2.645  -4.243  -7.660  1.00 16.78           H   new
ATOM      0  HB3 ASN A  25      -2.086  -3.266  -9.003  1.00 16.78           H   new
ATOM      0 HD21 ASN A  25      -2.512  -6.578 -10.647  1.00 24.70           H   new
ATOM      0 HD22 ASN A  25      -3.650  -5.535  -9.788  1.00 24.70           H   new
ATOM    401  N   VAL A  26      -0.768  -2.273  -5.714  1.00  6.52           N
ATOM    402  CA  VAL A  26      -0.750  -1.027  -5.011  1.00  5.53           C
ATOM    403  C   VAL A  26       0.679  -0.660  -4.806  1.00  4.42           C
ATOM    404  O   VAL A  26       1.100   0.437  -5.170  1.00  3.40           O
ATOM    405  CB  VAL A  26      -1.491  -1.169  -3.715  1.00  3.86           C
ATOM    406  CG1 VAL A  26      -1.041  -0.040  -2.772  1.00  7.25           C
ATOM    407  CG2 VAL A  26      -2.995  -1.155  -4.037  1.00  8.12           C
ATOM      0  H   VAL A  26      -0.874  -3.093  -5.117  1.00  6.52           H   new
ATOM      0  HA  VAL A  26      -1.248  -0.236  -5.572  1.00  5.53           H   new
ATOM      0  HB  VAL A  26      -1.277  -2.106  -3.200  1.00  3.86           H   new
ATOM      0 HG11 VAL A  26      -1.570  -0.126  -1.823  1.00  7.25           H   new
ATOM      0 HG12 VAL A  26       0.032  -0.117  -2.598  1.00  7.25           H   new
ATOM      0 HG13 VAL A  26      -1.266   0.925  -3.226  1.00  7.25           H   new
ATOM      0 HG21 VAL A  26      -3.566  -1.257  -3.114  1.00  8.12           H   new
ATOM      0 HG22 VAL A  26      -3.254  -0.214  -4.522  1.00  8.12           H   new
ATOM      0 HG23 VAL A  26      -3.232  -1.984  -4.703  1.00  8.12           H   new
ATOM    417  N   LYS A  27       1.526  -1.482  -4.162  1.00  2.64           N
ATOM    418  CA  LYS A  27       2.945  -1.315  -4.100  1.00  4.14           C
ATOM    419  C   LYS A  27       3.643  -0.976  -5.372  1.00  5.58           C
ATOM    420  O   LYS A  27       4.565  -0.162  -5.361  1.00  4.11           O
ATOM    421  CB  LYS A  27       3.610  -2.527  -3.425  1.00  3.97           C
ATOM    422  CG  LYS A  27       3.446  -2.637  -1.908  1.00  7.45           C
ATOM    423  CD  LYS A  27       4.455  -3.651  -1.366  1.00  9.02           C
ATOM    424  CE  LYS A  27       4.594  -3.701   0.157  1.00 12.90           C
ATOM    425  NZ  LYS A  27       5.746  -4.527   0.585  1.00 15.47           N
ATOM      0  H   LYS A  27       1.203  -2.308  -3.657  1.00  2.64           H   new
ATOM      0  HA  LYS A  27       3.066  -0.418  -3.493  1.00  4.14           H   new
ATOM      0  HB2 LYS A  27       3.208  -3.433  -3.878  1.00  3.97           H   new
ATOM      0  HB3 LYS A  27       4.676  -2.502  -3.652  1.00  3.97           H   new
ATOM      0  HG2 LYS A  27       3.603  -1.664  -1.442  1.00  7.45           H   new
ATOM      0  HG3 LYS A  27       2.431  -2.948  -1.661  1.00  7.45           H   new
ATOM      0  HD2 LYS A  27       4.171  -4.642  -1.719  1.00  9.02           H   new
ATOM      0  HD3 LYS A  27       5.432  -3.428  -1.794  1.00  9.02           H   new
ATOM      0  HE2 LYS A  27       4.711  -2.688   0.543  1.00 12.90           H   new
ATOM      0  HE3 LYS A  27       3.679  -4.104   0.591  1.00 12.90           H   new
ATOM      0  HZ1 LYS A  27       5.705  -4.673   1.614  1.00 15.47           H   new
ATOM      0  HZ2 LYS A  27       5.711  -5.448   0.103  1.00 15.47           H   new
ATOM      0  HZ3 LYS A  27       6.632  -4.041   0.339  1.00 15.47           H   new
ATOM    439  N   ALA A  28       3.208  -1.603  -6.479  1.00  6.61           N
ATOM    440  CA  ALA A  28       3.724  -1.223  -7.758  1.00  7.74           C
ATOM    441  C   ALA A  28       3.572   0.183  -8.228  1.00  9.17           C
ATOM    442  O   ALA A  28       4.494   0.788  -8.772  1.00 11.45           O
ATOM    443  CB  ALA A  28       2.884  -2.047  -8.748  1.00  7.68           C
ATOM      0  H   ALA A  28       2.517  -2.354  -6.492  1.00  6.61           H   new
ATOM      0  HA  ALA A  28       4.801  -1.375  -7.688  1.00  7.74           H   new
ATOM      0  HB1 ALA A  28       3.203  -1.827  -9.767  1.00  7.68           H   new
ATOM      0  HB2 ALA A  28       3.022  -3.109  -8.546  1.00  7.68           H   new
ATOM      0  HB3 ALA A  28       1.831  -1.789  -8.634  1.00  7.68           H   new
ATOM    449  N   LYS A  29       2.371   0.761  -8.047  1.00  8.96           N
ATOM    450  CA  LYS A  29       2.174   2.164  -8.245  1.00  7.90           C
ATOM    451  C   LYS A  29       2.950   3.068  -7.350  1.00  6.92           C
ATOM    452  O   LYS A  29       3.431   4.133  -7.735  1.00  6.87           O
ATOM    453  CB  LYS A  29       0.665   2.364  -8.026  1.00 10.28           C
ATOM    454  CG  LYS A  29      -0.270   1.751  -9.070  1.00 14.94           C
ATOM    455  CD  LYS A  29      -1.772   1.763  -8.775  1.00 19.69           C
ATOM    456  CE  LYS A  29      -2.574   0.862  -9.715  1.00 22.63           C
ATOM    457  NZ  LYS A  29      -2.478   1.335 -11.114  1.00 24.98           N
ATOM      0  H   LYS A  29       1.533   0.254  -7.762  1.00  8.96           H   new
ATOM      0  HA  LYS A  29       2.537   2.438  -9.236  1.00  7.90           H   new
ATOM      0  HB2 LYS A  29       0.405   1.950  -7.052  1.00 10.28           H   new
ATOM      0  HB3 LYS A  29       0.467   3.435  -7.980  1.00 10.28           H   new
ATOM      0  HG2 LYS A  29      -0.109   2.274 -10.013  1.00 14.94           H   new
ATOM      0  HG3 LYS A  29       0.033   0.715  -9.225  1.00 14.94           H   new
ATOM      0  HD2 LYS A  29      -1.937   1.443  -7.746  1.00 19.69           H   new
ATOM      0  HD3 LYS A  29      -2.144   2.784  -8.855  1.00 19.69           H   new
ATOM      0  HE2 LYS A  29      -2.204  -0.161  -9.647  1.00 22.63           H   new
ATOM      0  HE3 LYS A  29      -3.619   0.845  -9.404  1.00 22.63           H   new
ATOM      0  HZ1 LYS A  29      -3.045   0.717 -11.729  1.00 24.98           H   new
ATOM      0  HZ2 LYS A  29      -2.837   2.309 -11.177  1.00 24.98           H   new
ATOM      0  HZ3 LYS A  29      -1.485   1.312 -11.421  1.00 24.98           H   new
ATOM    471  N   ILE A  30       3.140   2.666  -6.081  1.00  4.57           N
ATOM    472  CA  ILE A  30       3.848   3.439  -5.109  1.00  5.58           C
ATOM    473  C   ILE A  30       5.286   3.448  -5.500  1.00  7.26           C
ATOM    474  O   ILE A  30       5.989   4.453  -5.419  1.00  9.46           O
ATOM    475  CB  ILE A  30       3.584   2.964  -3.710  1.00  5.36           C
ATOM    476  CG1 ILE A  30       2.087   3.029  -3.366  1.00  2.94           C
ATOM    477  CG2 ILE A  30       4.533   3.687  -2.739  1.00  2.78           C
ATOM    478  CD1 ILE A  30       1.546   4.458  -3.339  1.00  2.00           C
ATOM      0  H   ILE A  30       2.791   1.778  -5.721  1.00  4.57           H   new
ATOM      0  HA  ILE A  30       3.492   4.469  -5.097  1.00  5.58           H   new
ATOM      0  HB  ILE A  30       3.815   1.903  -3.611  1.00  5.36           H   new
ATOM      0 HG12 ILE A  30       1.526   2.447  -4.097  1.00  2.94           H   new
ATOM      0 HG13 ILE A  30       1.922   2.565  -2.394  1.00  2.94           H   new
ATOM      0 HG21 ILE A  30       4.343   3.344  -1.722  1.00  2.78           H   new
ATOM      0 HG22 ILE A  30       5.566   3.468  -3.009  1.00  2.78           H   new
ATOM      0 HG23 ILE A  30       4.363   4.762  -2.797  1.00  2.78           H   new
ATOM      0 HD11 ILE A  30       0.485   4.441  -3.091  1.00  2.00           H   new
ATOM      0 HD12 ILE A  30       2.085   5.037  -2.589  1.00  2.00           H   new
ATOM      0 HD13 ILE A  30       1.682   4.917  -4.318  1.00  2.00           H   new
ATOM    490  N   GLN A  31       5.779   2.372  -6.138  1.00  7.06           N
ATOM    491  CA  GLN A  31       7.075   2.364  -6.743  1.00  8.67           C
ATOM    492  C   GLN A  31       7.147   3.182  -7.986  1.00 10.90           C
ATOM    493  O   GLN A  31       8.072   3.991  -8.037  1.00  9.63           O
ATOM    494  CB  GLN A  31       7.535   0.920  -7.006  1.00  9.12           C
ATOM    495  CG  GLN A  31       8.832   0.794  -7.807  1.00 10.76           C
ATOM    496  CD  GLN A  31       9.130  -0.656  -8.160  1.00 13.78           C
ATOM    497  OE1 GLN A  31       8.243  -1.508  -8.159  1.00 14.48           O
ATOM    498  NE2 GLN A  31      10.361  -0.946  -8.660  1.00 14.76           N
ATOM      0  H   GLN A  31       5.270   1.493  -6.236  1.00  7.06           H   new
ATOM      0  HA  GLN A  31       7.756   2.832  -6.033  1.00  8.67           H   new
ATOM      0  HB2 GLN A  31       7.666   0.416  -6.049  1.00  9.12           H   new
ATOM      0  HB3 GLN A  31       6.743   0.393  -7.539  1.00  9.12           H   new
ATOM      0  HG2 GLN A  31       8.756   1.384  -8.720  1.00 10.76           H   new
ATOM      0  HG3 GLN A  31       9.659   1.207  -7.229  1.00 10.76           H   new
ATOM      0 HE21 GLN A  31      11.093  -0.235  -8.658  1.00 14.76           H   new
ATOM      0 HE22 GLN A  31      10.553  -1.874  -9.037  1.00 14.76           H   new
ATOM    507  N   ASP A  32       6.175   3.104  -8.912  1.00 10.93           N
ATOM    508  CA  ASP A  32       6.055   3.844 -10.130  1.00 14.01           C
ATOM    509  C   ASP A  32       6.102   5.324  -9.963  1.00 14.04           C
ATOM    510  O   ASP A  32       6.894   6.070 -10.537  1.00 13.39           O
ATOM    511  CB  ASP A  32       4.765   3.324 -10.788  1.00 18.01           C
ATOM    512  CG  ASP A  32       4.811   3.577 -12.288  1.00 24.33           C
ATOM    513  OD1 ASP A  32       5.828   3.449 -13.021  1.00 26.29           O
ATOM    514  OD2 ASP A  32       3.738   4.042 -12.756  1.00 25.17           O
ATOM      0  H   ASP A  32       5.396   2.457  -8.793  1.00 10.93           H   new
ATOM      0  HA  ASP A  32       6.920   3.679 -10.772  1.00 14.01           H   new
ATOM      0  HB2 ASP A  32       4.651   2.258 -10.593  1.00 18.01           H   new
ATOM      0  HB3 ASP A  32       3.898   3.821 -10.353  1.00 18.01           H   new
ATOM    519  N   LYS A  33       5.349   5.806  -8.958  1.00 14.22           N
ATOM    520  CA  LYS A  33       5.215   7.195  -8.647  1.00 14.00           C
ATOM    521  C   LYS A  33       6.203   7.692  -7.649  1.00 12.37           C
ATOM    522  O   LYS A  33       6.860   8.710  -7.861  1.00 12.17           O
ATOM    523  CB  LYS A  33       3.833   7.466  -8.031  1.00 18.62           C
ATOM    524  CG  LYS A  33       2.758   7.053  -9.039  1.00 24.00           C
ATOM    525  CD  LYS A  33       1.359   7.282  -8.465  1.00 27.61           C
ATOM    526  CE  LYS A  33       0.932   8.736  -8.253  1.00 27.64           C
ATOM    527  NZ  LYS A  33       0.858   9.410  -9.568  1.00 30.06           N
ATOM      0  H   LYS A  33       4.811   5.202  -8.336  1.00 14.22           H   new
ATOM      0  HA  LYS A  33       5.373   7.708  -9.596  1.00 14.00           H   new
ATOM      0  HB2 LYS A  33       3.716   6.906  -7.103  1.00 18.62           H   new
ATOM      0  HB3 LYS A  33       3.731   8.522  -7.781  1.00 18.62           H   new
ATOM      0  HG2 LYS A  33       2.877   7.625  -9.959  1.00 24.00           H   new
ATOM      0  HG3 LYS A  33       2.882   6.002  -9.299  1.00 24.00           H   new
ATOM      0  HD2 LYS A  33       0.637   6.809  -9.130  1.00 27.61           H   new
ATOM      0  HD3 LYS A  33       1.296   6.766  -7.507  1.00 27.61           H   new
ATOM      0  HE2 LYS A  33      -0.036   8.776  -7.754  1.00 27.64           H   new
ATOM      0  HE3 LYS A  33       1.645   9.248  -7.607  1.00 27.64           H   new
ATOM      0  HZ1 LYS A  33       0.425  10.348  -9.453  1.00 30.06           H   new
ATOM      0  HZ2 LYS A  33       1.816   9.517  -9.958  1.00 30.06           H   new
ATOM      0  HZ3 LYS A  33       0.281   8.839 -10.219  1.00 30.06           H   new
ATOM    541  N   GLU A  34       6.337   7.160  -6.421  1.00 10.11           N
ATOM    542  CA  GLU A  34       7.190   7.641  -5.378  1.00 10.07           C
ATOM    543  C   GLU A  34       8.588   7.131  -5.438  1.00  9.32           C
ATOM    544  O   GLU A  34       9.518   7.837  -5.050  1.00 11.61           O
ATOM    545  CB  GLU A  34       6.585   7.554  -3.967  1.00 14.77           C
ATOM    546  CG  GLU A  34       5.244   8.180  -3.579  1.00 18.75           C
ATOM    547  CD  GLU A  34       5.266   9.698  -3.686  1.00 22.28           C
ATOM    548  OE1 GLU A  34       6.101  10.336  -2.991  1.00 25.19           O
ATOM    549  OE2 GLU A  34       4.456  10.277  -4.459  1.00 21.95           O
ATOM      0  H   GLU A  34       5.811   6.334  -6.137  1.00 10.11           H   new
ATOM      0  HA  GLU A  34       7.264   8.707  -5.593  1.00 10.07           H   new
ATOM      0  HB2 GLU A  34       6.506   6.492  -3.733  1.00 14.77           H   new
ATOM      0  HB3 GLU A  34       7.327   7.976  -3.289  1.00 14.77           H   new
ATOM      0  HG2 GLU A  34       4.460   7.783  -4.224  1.00 18.75           H   new
ATOM      0  HG3 GLU A  34       4.993   7.893  -2.558  1.00 18.75           H   new
ATOM    556  N   GLY A  35       8.846   5.909  -5.938  1.00  7.22           N
ATOM    557  CA  GLY A  35      10.139   5.345  -6.172  1.00  6.29           C
ATOM    558  C   GLY A  35      10.618   4.504  -5.040  1.00  6.93           C
ATOM    559  O   GLY A  35      11.780   4.111  -4.947  1.00  7.41           O
ATOM      0  H   GLY A  35       8.095   5.270  -6.197  1.00  7.22           H   new
ATOM      0  HA2 GLY A  35      10.108   4.741  -7.079  1.00  6.29           H   new
ATOM      0  HA3 GLY A  35      10.854   6.149  -6.349  1.00  6.29           H   new
ATOM    563  N   ILE A  36       9.753   4.250  -4.042  1.00  5.86           N
ATOM    564  CA  ILE A  36      10.066   3.415  -2.925  1.00  6.07           C
ATOM    565  C   ILE A  36      10.065   1.959  -3.243  1.00  6.36           C
ATOM    566  O   ILE A  36       8.975   1.506  -3.588  1.00  6.18           O
ATOM    567  CB  ILE A  36       9.129   3.738  -1.799  1.00  7.47           C
ATOM    568  CG1 ILE A  36       8.945   5.252  -1.599  1.00  8.52           C
ATOM    569  CG2 ILE A  36       9.559   3.071  -0.482  1.00  7.36           C
ATOM    570  CD1 ILE A  36       7.834   5.582  -0.603  1.00  9.49           C
ATOM      0  H   ILE A  36       8.810   4.636  -4.011  1.00  5.86           H   new
ATOM      0  HA  ILE A  36      11.092   3.631  -2.628  1.00  6.07           H   new
ATOM      0  HB  ILE A  36       8.163   3.325  -2.089  1.00  7.47           H   new
ATOM      0 HG12 ILE A  36       9.882   5.685  -1.249  1.00  8.52           H   new
ATOM      0 HG13 ILE A  36       8.718   5.717  -2.558  1.00  8.52           H   new
ATOM      0 HG21 ILE A  36       8.852   3.332   0.306  1.00  7.36           H   new
ATOM      0 HG22 ILE A  36       9.575   1.989  -0.611  1.00  7.36           H   new
ATOM      0 HG23 ILE A  36      10.555   3.419  -0.206  1.00  7.36           H   new
ATOM      0 HD11 ILE A  36       7.747   6.664  -0.500  1.00  9.49           H   new
ATOM      0 HD12 ILE A  36       6.889   5.175  -0.964  1.00  9.49           H   new
ATOM      0 HD13 ILE A  36       8.072   5.143   0.366  1.00  9.49           H   new
ATOM    582  N   PRO A  37      11.079   1.147  -3.179  1.00  8.65           N
ATOM    583  CA  PRO A  37      11.083  -0.210  -3.644  1.00  9.18           C
ATOM    584  C   PRO A  37      10.143  -1.106  -2.913  1.00  9.85           C
ATOM    585  O   PRO A  37       9.736  -0.811  -1.791  1.00  8.51           O
ATOM    586  CB  PRO A  37      12.496  -0.741  -3.412  1.00 11.42           C
ATOM    587  CG  PRO A  37      13.361   0.522  -3.546  1.00  9.27           C
ATOM    588  CD  PRO A  37      12.441   1.626  -3.000  1.00  8.33           C
ATOM      0  HA  PRO A  37      10.768  -0.207  -4.688  1.00  9.18           H   new
ATOM      0  HB2 PRO A  37      12.599  -1.199  -2.429  1.00 11.42           H   new
ATOM      0  HB3 PRO A  37      12.769  -1.498  -4.147  1.00 11.42           H   new
ATOM      0  HG2 PRO A  37      14.283   0.443  -2.971  1.00  9.27           H   new
ATOM      0  HG3 PRO A  37      13.646   0.709  -4.581  1.00  9.27           H   new
ATOM      0  HD2 PRO A  37      12.650   1.821  -1.948  1.00  8.33           H   new
ATOM      0  HD3 PRO A  37      12.597   2.563  -3.535  1.00  8.33           H   new
ATOM    596  N   PRO A  38       9.575  -2.146  -3.446  1.00  8.71           N
ATOM    597  CA  PRO A  38       8.482  -2.783  -2.770  1.00  9.08           C
ATOM    598  C   PRO A  38       8.892  -3.580  -1.581  1.00  9.28           C
ATOM    599  O   PRO A  38       8.030  -3.740  -0.718  1.00  6.50           O
ATOM    600  CB  PRO A  38       7.945  -3.816  -3.759  1.00 10.31           C
ATOM    601  CG  PRO A  38       8.803  -3.778  -5.033  1.00 10.81           C
ATOM    602  CD  PRO A  38       9.571  -2.457  -4.868  1.00 12.00           C
ATOM      0  HA  PRO A  38       7.788  -2.007  -2.446  1.00  9.08           H   new
ATOM      0  HB2 PRO A  38       7.972  -4.812  -3.316  1.00 10.31           H   new
ATOM      0  HB3 PRO A  38       6.904  -3.602  -3.999  1.00 10.31           H   new
ATOM      0  HG2 PRO A  38       9.475  -4.634  -5.097  1.00 10.81           H   new
ATOM      0  HG3 PRO A  38       8.192  -3.784  -5.936  1.00 10.81           H   new
ATOM      0  HD2 PRO A  38      10.589  -2.552  -5.245  1.00 12.00           H   new
ATOM      0  HD3 PRO A  38       9.094  -1.659  -5.437  1.00 12.00           H   new
ATOM    610  N   ASP A  39      10.169  -3.991  -1.479  1.00 11.20           N
ATOM    611  CA  ASP A  39      10.592  -4.732  -0.331  1.00 14.96           C
ATOM    612  C   ASP A  39      10.831  -3.720   0.736  1.00 13.99           C
ATOM    613  O   ASP A  39      10.876  -4.058   1.918  1.00 13.75           O
ATOM    614  CB  ASP A  39      11.886  -5.436  -0.772  1.00 24.16           C
ATOM    615  CG  ASP A  39      12.984  -4.528  -1.305  1.00 31.06           C
ATOM    616  OD1 ASP A  39      12.869  -3.881  -2.380  1.00 35.55           O
ATOM    617  OD2 ASP A  39      14.016  -4.367  -0.600  1.00 34.22           O
ATOM      0  H   ASP A  39      10.894  -3.816  -2.174  1.00 11.20           H   new
ATOM      0  HA  ASP A  39       9.885  -5.472   0.043  1.00 14.96           H   new
ATOM      0  HB2 ASP A  39      12.282  -5.994   0.077  1.00 24.16           H   new
ATOM      0  HB3 ASP A  39      11.636  -6.165  -1.543  1.00 24.16           H   new
ATOM    622  N   GLN A  40      11.005  -2.428   0.404  1.00 11.60           N
ATOM    623  CA  GLN A  40      11.171  -1.393   1.377  1.00 10.76           C
ATOM    624  C   GLN A  40       9.887  -0.775   1.811  1.00  8.01           C
ATOM    625  O   GLN A  40       9.767  -0.150   2.864  1.00  8.96           O
ATOM    626  CB  GLN A  40      11.996  -0.292   0.690  1.00 11.14           C
ATOM    627  CG  GLN A  40      12.518   0.762   1.669  1.00 14.85           C
ATOM    628  CD  GLN A  40      13.499   1.748   1.052  1.00 16.11           C
ATOM    629  OE1 GLN A  40      14.402   1.307   0.343  1.00 20.52           O
ATOM    630  NE2 GLN A  40      13.268   3.085   1.139  1.00 18.16           N
ATOM      0  H   GLN A  40      11.031  -2.096  -0.560  1.00 11.60           H   new
ATOM      0  HA  GLN A  40      11.639  -1.824   2.262  1.00 10.76           H   new
ATOM      0  HB2 GLN A  40      12.839  -0.748   0.171  1.00 11.14           H   new
ATOM      0  HB3 GLN A  40      11.382   0.196  -0.067  1.00 11.14           H   new
ATOM      0  HG2 GLN A  40      11.672   1.315   2.077  1.00 14.85           H   new
ATOM      0  HG3 GLN A  40      13.003   0.258   2.505  1.00 14.85           H   new
ATOM      0 HE21 GLN A  40      12.515   3.435   1.731  1.00 18.16           H   new
ATOM      0 HE22 GLN A  40      13.848   3.738   0.612  1.00 18.16           H   new
ATOM    639  N   GLN A  41       8.803  -0.943   1.032  1.00  6.52           N
ATOM    640  CA  GLN A  41       7.514  -0.376   1.277  1.00  3.87           C
ATOM    641  C   GLN A  41       6.873  -1.092   2.417  1.00  4.79           C
ATOM    642  O   GLN A  41       6.970  -2.317   2.379  1.00  6.34           O
ATOM    643  CB  GLN A  41       6.496  -0.441   0.126  1.00  4.20           C
ATOM    644  CG  GLN A  41       6.830   0.707  -0.829  1.00  3.20           C
ATOM    645  CD  GLN A  41       5.873   0.724  -2.012  1.00  4.89           C
ATOM    646  OE1 GLN A  41       4.649   0.771  -1.900  1.00  5.21           O
ATOM    647  NE2 GLN A  41       6.419   0.603  -3.252  1.00  7.13           N
ATOM      0  H   GLN A  41       8.829  -1.507   0.183  1.00  6.52           H   new
ATOM      0  HA  GLN A  41       7.732   0.677   1.455  1.00  3.87           H   new
ATOM      0  HB2 GLN A  41       6.555  -1.400  -0.388  1.00  4.20           H   new
ATOM      0  HB3 GLN A  41       5.478  -0.345   0.505  1.00  4.20           H   new
ATOM      0  HG2 GLN A  41       6.774   1.656  -0.297  1.00  3.20           H   new
ATOM      0  HG3 GLN A  41       7.854   0.602  -1.186  1.00  3.20           H   new
ATOM      0 HE21 GLN A  41       7.432   0.563  -3.361  1.00  7.13           H   new
ATOM      0 HE22 GLN A  41       5.815   0.553  -4.072  1.00  7.13           H   new
ATOM    656  N   ARG A  42       6.213  -0.411   3.371  1.00  5.73           N
ATOM    657  CA  ARG A  42       5.400  -1.087   4.333  1.00  6.97           C
ATOM    658  C   ARG A  42       4.065  -0.431   4.417  1.00  7.15           C
ATOM    659  O   ARG A  42       3.945   0.792   4.458  1.00  7.33           O
ATOM    660  CB  ARG A  42       6.148  -0.905   5.665  1.00 13.23           C
ATOM    661  CG  ARG A  42       5.611  -1.741   6.828  1.00 21.27           C
ATOM    662  CD  ARG A  42       5.993  -1.289   8.239  1.00 26.14           C
ATOM    663  NE  ARG A  42       5.693  -2.403   9.183  1.00 32.26           N
ATOM    664  CZ  ARG A  42       6.199  -2.535  10.443  1.00 34.32           C
ATOM    665  NH1 ARG A  42       7.231  -1.746  10.862  1.00 35.30           N
ATOM    666  NH2 ARG A  42       5.806  -3.559  11.255  1.00 36.39           N
ATOM      0  H   ARG A  42       6.242   0.603   3.476  1.00  5.73           H   new
ATOM      0  HA  ARG A  42       5.239  -2.135   4.080  1.00  6.97           H   new
ATOM      0  HB2 ARG A  42       7.198  -1.155   5.512  1.00 13.23           H   new
ATOM      0  HB3 ARG A  42       6.109   0.148   5.945  1.00 13.23           H   new
ATOM      0  HG2 ARG A  42       4.523  -1.758   6.760  1.00 21.27           H   new
ATOM      0  HG3 ARG A  42       5.955  -2.767   6.696  1.00 21.27           H   new
ATOM      0  HD2 ARG A  42       7.051  -1.029   8.282  1.00 26.14           H   new
ATOM      0  HD3 ARG A  42       5.434  -0.395   8.516  1.00 26.14           H   new
ATOM      0  HE  ARG A  42       5.054  -3.129   8.859  1.00 32.26           H   new
ATOM      0 HH11 ARG A  42       7.630  -1.051  10.231  1.00 35.30           H   new
ATOM      0 HH12 ARG A  42       7.603  -1.852  11.806  1.00 35.30           H   new
ATOM      0 HH21 ARG A  42       5.124  -4.241  10.922  1.00 36.39           H   new
ATOM      0 HH22 ARG A  42       6.194  -3.643  12.194  1.00 36.39           H   new
ATOM    680  N   LEU A  43       3.019  -1.270   4.314  1.00  4.65           N
ATOM    681  CA  LEU A  43       1.661  -0.828   4.244  1.00  3.51           C
ATOM    682  C   LEU A  43       0.862  -1.349   5.388  1.00  5.56           C
ATOM    683  O   LEU A  43       0.839  -2.554   5.634  1.00  4.19           O
ATOM    684  CB  LEU A  43       0.913  -1.284   2.980  1.00  3.74           C
ATOM    685  CG  LEU A  43       1.210  -0.423   1.741  1.00  6.32           C
ATOM    686  CD1 LEU A  43       0.812  -1.097   0.417  1.00  6.41           C
ATOM    687  CD2 LEU A  43       0.573   0.977   1.750  1.00  9.55           C
ATOM      0  H   LEU A  43       3.121  -2.284   4.278  1.00  4.65           H   new
ATOM      0  HA  LEU A  43       1.744   0.259   4.250  1.00  3.51           H   new
ATOM      0  HB2 LEU A  43       1.179  -2.319   2.765  1.00  3.74           H   new
ATOM      0  HB3 LEU A  43      -0.159  -1.265   3.176  1.00  3.74           H   new
ATOM      0  HG  LEU A  43       2.293  -0.313   1.803  1.00  6.32           H   new
ATOM      0 HD11 LEU A  43       1.050  -0.434  -0.415  1.00  6.41           H   new
ATOM      0 HD12 LEU A  43       1.362  -2.031   0.305  1.00  6.41           H   new
ATOM      0 HD13 LEU A  43      -0.258  -1.304   0.422  1.00  6.41           H   new
ATOM      0 HD21 LEU A  43       0.841   1.505   0.835  1.00  9.55           H   new
ATOM      0 HD22 LEU A  43      -0.511   0.883   1.810  1.00  9.55           H   new
ATOM      0 HD23 LEU A  43       0.937   1.537   2.612  1.00  9.55           H   new
ATOM    699  N   ILE A  44       0.223  -0.439   6.145  1.00  4.58           N
ATOM    700  CA  ILE A  44      -0.458  -0.643   7.386  1.00  5.55           C
ATOM    701  C   ILE A  44      -1.885  -0.283   7.154  1.00  5.46           C
ATOM    702  O   ILE A  44      -2.234   0.682   6.475  1.00  6.04           O
ATOM    703  CB  ILE A  44       0.132   0.161   8.507  1.00  6.80           C
ATOM    704  CG1 ILE A  44       1.650   0.035   8.718  1.00 10.31           C
ATOM    705  CG2 ILE A  44      -0.633  -0.127   9.810  1.00  7.39           C
ATOM    706  CD1 ILE A  44       2.120  -1.325   9.233  1.00 13.90           C
ATOM      0  H   ILE A  44       0.181   0.538   5.856  1.00  4.58           H   new
ATOM      0  HA  ILE A  44      -0.358  -1.683   7.698  1.00  5.55           H   new
ATOM      0  HB  ILE A  44       0.007   1.200   8.201  1.00  6.80           H   new
ATOM      0 HG12 ILE A  44       2.151   0.242   7.772  1.00 10.31           H   new
ATOM      0 HG13 ILE A  44       1.969   0.803   9.422  1.00 10.31           H   new
ATOM      0 HG21 ILE A  44      -0.202   0.459  10.622  1.00  7.39           H   new
ATOM      0 HG22 ILE A  44      -1.681   0.144   9.684  1.00  7.39           H   new
ATOM      0 HG23 ILE A  44      -0.559  -1.188  10.049  1.00  7.39           H   new
ATOM      0 HD11 ILE A  44       3.204  -1.315   9.350  1.00 13.90           H   new
ATOM      0 HD12 ILE A  44       1.653  -1.530  10.196  1.00 13.90           H   new
ATOM      0 HD13 ILE A  44       1.839  -2.101   8.521  1.00 13.90           H   new
ATOM    718  N   PHE A  45      -2.751  -1.178   7.661  1.00  6.75           N
ATOM    719  CA  PHE A  45      -4.114  -0.809   7.885  1.00  4.70           C
ATOM    720  C   PHE A  45      -4.634  -0.925   9.276  1.00  6.34           C
ATOM    721  O   PHE A  45      -4.715  -2.038   9.793  1.00  5.45           O
ATOM    722  CB  PHE A  45      -4.915  -1.637   6.865  1.00  5.51           C
ATOM    723  CG  PHE A  45      -6.369  -1.313   6.894  1.00  5.98           C
ATOM    724  CD1 PHE A  45      -6.768  -0.139   6.300  1.00  6.86           C
ATOM    725  CD2 PHE A  45      -7.292  -2.230   7.339  1.00  5.87           C
ATOM    726  CE1 PHE A  45      -8.117   0.111   6.210  1.00  6.68           C
ATOM    727  CE2 PHE A  45      -8.627  -1.950   7.165  1.00  6.64           C
ATOM    728  CZ  PHE A  45      -9.086  -0.773   6.621  1.00  6.84           C
ATOM      0  H   PHE A  45      -2.515  -2.138   7.912  1.00  6.75           H   new
ATOM      0  HA  PHE A  45      -4.217   0.267   7.744  1.00  4.70           H   new
ATOM      0  HB2 PHE A  45      -4.524  -1.454   5.864  1.00  5.51           H   new
ATOM      0  HB3 PHE A  45      -4.777  -2.698   7.072  1.00  5.51           H   new
ATOM      0  HD1 PHE A  45      -6.044   0.565   5.916  1.00  6.86           H   new
ATOM      0  HD2 PHE A  45      -6.976  -3.147   7.813  1.00  5.87           H   new
ATOM      0  HE1 PHE A  45      -8.433   1.056   5.793  1.00  6.68           H   new
ATOM      0  HE2 PHE A  45      -9.351  -2.691   7.471  1.00  6.64           H   new
ATOM      0  HZ  PHE A  45     -10.140  -0.557   6.523  1.00  6.84           H   new
ATOM    738  N   ALA A  46      -4.977   0.179   9.965  1.00  6.53           N
ATOM    739  CA  ALA A  46      -5.185   0.222  11.379  1.00  7.15           C
ATOM    740  C   ALA A  46      -4.010  -0.192  12.196  1.00  9.00           C
ATOM    741  O   ALA A  46      -3.097   0.617  12.353  1.00 11.15           O
ATOM    742  CB  ALA A  46      -6.480  -0.480  11.821  1.00  8.99           C
ATOM      0  H   ALA A  46      -5.116   1.083   9.514  1.00  6.53           H   new
ATOM      0  HA  ALA A  46      -5.313   1.283  11.592  1.00  7.15           H   new
ATOM      0  HB1 ALA A  46      -6.579  -0.412  12.904  1.00  8.99           H   new
ATOM      0  HB2 ALA A  46      -7.335   0.002  11.347  1.00  8.99           H   new
ATOM      0  HB3 ALA A  46      -6.445  -1.528  11.525  1.00  8.99           H   new
ATOM    748  N   GLY A  47      -3.973  -1.450  12.670  1.00  9.35           N
ATOM    749  CA  GLY A  47      -2.813  -2.081  13.217  1.00 11.68           C
ATOM    750  C   GLY A  47      -2.438  -3.351  12.533  1.00 11.14           C
ATOM    751  O   GLY A  47      -1.493  -4.025  12.940  1.00 13.93           O
ATOM      0  H   GLY A  47      -4.793  -2.057  12.672  1.00  9.35           H   new
ATOM      0  HA2 GLY A  47      -1.974  -1.388  13.161  1.00 11.68           H   new
ATOM      0  HA3 GLY A  47      -2.987  -2.286  14.273  1.00 11.68           H   new
ATOM    755  N   LYS A  48      -3.150  -3.721  11.454  1.00 10.47           N
ATOM    756  CA  LYS A  48      -2.829  -4.900  10.711  1.00  8.82           C
ATOM    757  C   LYS A  48      -1.880  -4.556   9.615  1.00  7.68           C
ATOM    758  O   LYS A  48      -1.997  -3.555   8.910  1.00  6.47           O
ATOM    759  CB  LYS A  48      -4.142  -5.516  10.199  1.00  9.74           C
ATOM    760  CG  LYS A  48      -5.133  -6.049  11.235  1.00 14.14           C
ATOM    761  CD  LYS A  48      -6.195  -6.879  10.510  1.00 16.32           C
ATOM    762  CE  LYS A  48      -7.141  -7.646  11.436  1.00 20.04           C
ATOM    763  NZ  LYS A  48      -8.097  -8.465  10.658  1.00 23.92           N
ATOM      0  H   LYS A  48      -3.951  -3.202  11.095  1.00 10.47           H   new
ATOM      0  HA  LYS A  48      -2.329  -5.642  11.333  1.00  8.82           H   new
ATOM      0  HB2 LYS A  48      -4.655  -4.762   9.602  1.00  9.74           H   new
ATOM      0  HB3 LYS A  48      -3.887  -6.335   9.527  1.00  9.74           H   new
ATOM      0  HG2 LYS A  48      -4.615  -6.659  11.975  1.00 14.14           H   new
ATOM      0  HG3 LYS A  48      -5.599  -5.223  11.773  1.00 14.14           H   new
ATOM      0  HD2 LYS A  48      -6.785  -6.217   9.876  1.00 16.32           H   new
ATOM      0  HD3 LYS A  48      -5.696  -7.590   9.852  1.00 16.32           H   new
ATOM      0  HE2 LYS A  48      -6.563  -8.288  12.101  1.00 20.04           H   new
ATOM      0  HE3 LYS A  48      -7.687  -6.944  12.066  1.00 20.04           H   new
ATOM      0  HZ1 LYS A  48      -8.727  -8.975  11.309  1.00 23.92           H   new
ATOM      0  HZ2 LYS A  48      -8.663  -7.847  10.042  1.00 23.92           H   new
ATOM      0  HZ3 LYS A  48      -7.574  -9.149  10.075  1.00 23.92           H   new
ATOM    777  N   GLN A  49      -0.892  -5.447   9.414  1.00  8.89           N
ATOM    778  CA  GLN A  49       0.137  -5.388   8.423  1.00  7.18           C
ATOM    779  C   GLN A  49      -0.325  -6.022   7.157  1.00  8.23           C
ATOM    780  O   GLN A  49      -0.665  -7.204   7.159  1.00  9.70           O
ATOM    781  CB  GLN A  49       1.462  -6.032   8.868  1.00 11.67           C
ATOM    782  CG  GLN A  49       2.508  -6.015   7.752  1.00 15.82           C
ATOM    783  CD  GLN A  49       3.845  -6.398   8.370  1.00 20.21           C
ATOM    784  OE1 GLN A  49       4.663  -5.479   8.380  1.00 23.23           O
ATOM    785  NE2 GLN A  49       4.234  -7.670   8.652  1.00 20.67           N
ATOM      0  H   GLN A  49      -0.808  -6.280   9.997  1.00  8.89           H   new
ATOM      0  HA  GLN A  49       0.339  -4.329   8.265  1.00  7.18           H   new
ATOM      0  HB2 GLN A  49       1.850  -5.501   9.737  1.00 11.67           H   new
ATOM      0  HB3 GLN A  49       1.279  -7.061   9.179  1.00 11.67           H   new
ATOM      0  HG2 GLN A  49       2.237  -6.715   6.962  1.00 15.82           H   new
ATOM      0  HG3 GLN A  49       2.566  -5.027   7.296  1.00 15.82           H   new
ATOM      0 HE21 GLN A  49       3.550  -8.427   8.642  1.00 20.67           H   new
ATOM      0 HE22 GLN A  49       5.210  -7.868   8.874  1.00 20.67           H   new
ATOM    794  N   LEU A  50      -0.418  -5.254   6.057  1.00  6.51           N
ATOM    795  CA  LEU A  50      -0.857  -5.613   4.744  1.00  7.41           C
ATOM    796  C   LEU A  50       0.300  -6.216   4.023  1.00  8.27           C
ATOM    797  O   LEU A  50       1.431  -5.734   3.988  1.00  8.34           O
ATOM    798  CB  LEU A  50      -1.264  -4.316   4.025  1.00  7.13           C
ATOM    799  CG  LEU A  50      -2.444  -3.592   4.693  1.00  7.53           C
ATOM    800  CD1 LEU A  50      -2.733  -2.361   3.818  1.00  9.11           C
ATOM    801  CD2 LEU A  50      -3.715  -4.427   4.926  1.00  8.14           C
ATOM      0  H   LEU A  50      -0.155  -4.269   6.096  1.00  6.51           H   new
ATOM      0  HA  LEU A  50      -1.690  -6.315   4.778  1.00  7.41           H   new
ATOM      0  HB2 LEU A  50      -0.407  -3.644   3.992  1.00  7.13           H   new
ATOM      0  HB3 LEU A  50      -1.527  -4.549   2.993  1.00  7.13           H   new
ATOM      0  HG  LEU A  50      -2.150  -3.337   5.711  1.00  7.53           H   new
ATOM      0 HD11 LEU A  50      -3.567  -1.801   4.242  1.00  9.11           H   new
ATOM      0 HD12 LEU A  50      -1.849  -1.724   3.782  1.00  9.11           H   new
ATOM      0 HD13 LEU A  50      -2.989  -2.684   2.809  1.00  9.11           H   new
ATOM      0 HD21 LEU A  50      -4.475  -3.808   5.402  1.00  8.14           H   new
ATOM      0 HD22 LEU A  50      -4.091  -4.792   3.970  1.00  8.14           H   new
ATOM      0 HD23 LEU A  50      -3.481  -5.274   5.571  1.00  8.14           H   new
ATOM    813  N   GLU A  51       0.012  -7.400   3.455  1.00  9.43           N
ATOM    814  CA  GLU A  51       0.992  -8.224   2.818  1.00 11.90           C
ATOM    815  C   GLU A  51       0.728  -8.257   1.352  1.00 11.49           C
ATOM    816  O   GLU A  51      -0.377  -8.055   0.850  1.00  9.88           O
ATOM    817  CB  GLU A  51       1.063  -9.658   3.367  1.00 16.56           C
ATOM    818  CG  GLU A  51       1.547  -9.700   4.818  1.00 26.06           C
ATOM    819  CD  GLU A  51       1.557 -11.115   5.377  1.00 29.86           C
ATOM    820  OE1 GLU A  51       2.233 -11.996   4.781  1.00 33.44           O
ATOM    821  OE2 GLU A  51       0.884 -11.489   6.375  1.00 32.13           O
ATOM      0  H   GLU A  51      -0.928  -7.796   3.438  1.00  9.43           H   new
ATOM      0  HA  GLU A  51       1.961  -7.774   3.033  1.00 11.90           H   new
ATOM      0  HB2 GLU A  51       0.078 -10.119   3.301  1.00 16.56           H   new
ATOM      0  HB3 GLU A  51       1.734 -10.250   2.745  1.00 16.56           H   new
ATOM      0  HG2 GLU A  51       2.551  -9.280   4.877  1.00 26.06           H   new
ATOM      0  HG3 GLU A  51       0.902  -9.072   5.433  1.00 26.06           H   new
ATOM    828  N   ASP A  52       1.818  -8.514   0.607  1.00 12.71           N
ATOM    829  CA  ASP A  52       1.943  -8.174  -0.776  1.00 16.56           C
ATOM    830  C   ASP A  52       1.005  -8.980  -1.608  1.00 15.83           C
ATOM    831  O   ASP A  52       0.236  -8.489  -2.432  1.00 17.21           O
ATOM    832  CB  ASP A  52       3.371  -8.452  -1.273  1.00 21.05           C
ATOM    833  CG  ASP A  52       4.508  -7.822  -0.482  1.00 25.12           C
ATOM    834  OD1 ASP A  52       4.618  -8.279   0.687  1.00 25.82           O
ATOM    835  OD2 ASP A  52       5.183  -6.871  -0.958  1.00 28.37           O
ATOM      0  H   ASP A  52       2.645  -8.977   0.983  1.00 12.71           H   new
ATOM      0  HA  ASP A  52       1.709  -7.114  -0.871  1.00 16.56           H   new
ATOM      0  HB2 ASP A  52       3.523  -9.531  -1.284  1.00 21.05           H   new
ATOM      0  HB3 ASP A  52       3.444  -8.109  -2.305  1.00 21.05           H   new
ATOM    840  N   GLY A  53       1.008 -10.304  -1.374  1.00 15.00           N
ATOM    841  CA  GLY A  53       0.162 -11.270  -2.003  1.00 11.77           C
ATOM    842  C   GLY A  53      -1.169 -11.443  -1.357  1.00 11.10           C
ATOM    843  O   GLY A  53      -1.892 -12.395  -1.649  1.00 11.25           O
ATOM      0  H   GLY A  53       1.645 -10.728  -0.699  1.00 15.00           H   new
ATOM      0  HA2 GLY A  53       0.012 -10.980  -3.043  1.00 11.77           H   new
ATOM      0  HA3 GLY A  53       0.675 -12.232  -2.012  1.00 11.77           H   new
ATOM    847  N   ARG A  54      -1.560 -10.486  -0.496  1.00  8.53           N
ATOM    848  CA  ARG A  54      -2.895 -10.478   0.016  1.00  9.05           C
ATOM    849  C   ARG A  54      -3.630  -9.458  -0.784  1.00  8.96           C
ATOM    850  O   ARG A  54      -3.060  -8.714  -1.580  1.00 11.60           O
ATOM    851  CB  ARG A  54      -3.007 -10.213   1.526  1.00  7.97           C
ATOM    852  CG  ARG A  54      -2.732 -11.393   2.461  1.00  9.62           C
ATOM    853  CD  ARG A  54      -3.656 -12.609   2.370  1.00 12.20           C
ATOM    854  NE  ARG A  54      -3.390 -13.463   3.561  1.00 18.23           N
ATOM    855  CZ  ARG A  54      -4.394 -13.726   4.448  1.00 22.08           C
ATOM    856  NH1 ARG A  54      -5.693 -13.704   4.029  1.00 23.38           N
ATOM    857  NH2 ARG A  54      -4.083 -13.869   5.769  1.00 25.50           N
ATOM      0  H   ARG A  54      -0.964  -9.730  -0.159  1.00  8.53           H   new
ATOM      0  HA  ARG A  54      -3.325 -11.474  -0.086  1.00  9.05           H   new
ATOM      0  HB2 ARG A  54      -2.315  -9.410   1.781  1.00  7.97           H   new
ATOM      0  HB3 ARG A  54      -4.012  -9.845   1.732  1.00  7.97           H   new
ATOM      0  HG2 ARG A  54      -1.713 -11.733   2.279  1.00  9.62           H   new
ATOM      0  HG3 ARG A  54      -2.766 -11.023   3.486  1.00  9.62           H   new
ATOM      0  HD2 ARG A  54      -4.700 -12.296   2.348  1.00 12.20           H   new
ATOM      0  HD3 ARG A  54      -3.470 -13.164   1.451  1.00 12.20           H   new
ATOM      0  HE  ARG A  54      -2.459 -13.851   3.714  1.00 18.23           H   new
ATOM      0 HH11 ARG A  54      -5.911 -13.492   3.056  1.00 23.38           H   new
ATOM      0 HH12 ARG A  54      -6.445 -13.900   4.689  1.00 23.38           H   new
ATOM      0 HH21 ARG A  54      -3.115 -13.779   6.078  1.00 25.50           H   new
ATOM      0 HH22 ARG A  54      -4.819 -14.066   6.448  1.00 25.50           H   new
ATOM    871  N   THR A  55      -4.971  -9.418  -0.683  1.00  9.05           N
ATOM    872  CA  THR A  55      -5.735  -8.492  -1.460  1.00  9.03           C
ATOM    873  C   THR A  55      -6.187  -7.397  -0.556  1.00  8.15           C
ATOM    874  O   THR A  55      -5.921  -7.481   0.642  1.00  5.91           O
ATOM    875  CB  THR A  55      -6.813  -9.186  -2.239  1.00 11.15           C
ATOM    876  OG1 THR A  55      -7.856  -9.486  -1.323  1.00 11.95           O
ATOM    877  CG2 THR A  55      -6.270 -10.461  -2.908  1.00 11.71           C
ATOM      0  H   THR A  55      -5.521 -10.020  -0.070  1.00  9.05           H   new
ATOM      0  HA  THR A  55      -5.132  -8.028  -2.240  1.00  9.03           H   new
ATOM      0  HB  THR A  55      -7.184  -8.550  -3.043  1.00 11.15           H   new
ATOM      0  HG1 THR A  55      -7.482  -9.936  -0.537  1.00 11.95           H   new
ATOM      0 HG21 THR A  55      -7.069 -10.947  -3.467  1.00 11.71           H   new
ATOM      0 HG22 THR A  55      -5.460 -10.198  -3.588  1.00 11.71           H   new
ATOM      0 HG23 THR A  55      -5.896 -11.142  -2.144  1.00 11.71           H   new
ATOM    885  N   LEU A  56      -6.867  -6.410  -1.166  1.00  6.91           N
ATOM    886  CA  LEU A  56      -7.646  -5.447  -0.452  1.00  8.29           C
ATOM    887  C   LEU A  56      -8.838  -5.992   0.256  1.00  8.05           C
ATOM    888  O   LEU A  56      -9.033  -5.702   1.436  1.00 10.17           O
ATOM    889  CB  LEU A  56      -8.037  -4.294  -1.391  1.00  6.60           C
ATOM    890  CG  LEU A  56      -6.811  -3.536  -1.928  1.00  7.73           C
ATOM    891  CD1 LEU A  56      -7.371  -2.489  -2.905  1.00  8.64           C
ATOM    892  CD2 LEU A  56      -6.036  -2.757  -0.852  1.00  9.85           C
ATOM      0  H   LEU A  56      -6.876  -6.278  -2.177  1.00  6.91           H   new
ATOM      0  HA  LEU A  56      -7.003  -5.082   0.349  1.00  8.29           H   new
ATOM      0  HB2 LEU A  56      -8.612  -4.690  -2.228  1.00  6.60           H   new
ATOM      0  HB3 LEU A  56      -8.686  -3.599  -0.858  1.00  6.60           H   new
ATOM      0  HG  LEU A  56      -6.123  -4.263  -2.360  1.00  7.73           H   new
ATOM      0 HD11 LEU A  56      -6.550  -1.910  -3.327  1.00  8.64           H   new
ATOM      0 HD12 LEU A  56      -7.911  -2.992  -3.707  1.00  8.64           H   new
ATOM      0 HD13 LEU A  56      -8.050  -1.822  -2.374  1.00  8.64           H   new
ATOM      0 HD21 LEU A  56      -5.187  -2.250  -1.310  1.00  9.85           H   new
ATOM      0 HD22 LEU A  56      -6.694  -2.019  -0.392  1.00  9.85           H   new
ATOM      0 HD23 LEU A  56      -5.677  -3.449  -0.090  1.00  9.85           H   new
ATOM    904  N   SER A  57      -9.635  -6.888  -0.353  1.00  8.92           N
ATOM    905  CA  SER A  57     -10.740  -7.611   0.195  1.00  9.00           C
ATOM    906  C   SER A  57     -10.418  -8.325   1.462  1.00  9.44           C
ATOM    907  O   SER A  57     -11.189  -8.350   2.420  1.00 10.91           O
ATOM    908  CB  SER A  57     -11.388  -8.490  -0.888  1.00 10.32           C
ATOM    909  OG  SER A  57     -12.592  -9.053  -0.388  1.00 13.59           O
ATOM      0  H   SER A  57      -9.487  -7.129  -1.333  1.00  8.92           H   new
ATOM      0  HA  SER A  57     -11.493  -6.888   0.509  1.00  9.00           H   new
ATOM      0  HB2 SER A  57     -11.595  -7.895  -1.778  1.00 10.32           H   new
ATOM      0  HB3 SER A  57     -10.701  -9.282  -1.187  1.00 10.32           H   new
ATOM      0  HG  SER A  57     -13.004  -9.611  -1.080  1.00 13.59           H   new
ATOM    915  N   ASP A  58      -9.252  -8.993   1.514  1.00  9.11           N
ATOM    916  CA  ASP A  58      -8.997  -9.789   2.675  1.00  7.91           C
ATOM    917  C   ASP A  58      -8.805  -9.068   3.965  1.00  9.12           C
ATOM    918  O   ASP A  58      -9.255  -9.530   5.012  1.00  8.61           O
ATOM    919  CB  ASP A  58      -7.746 -10.656   2.457  1.00  8.41           C
ATOM    920  CG  ASP A  58      -7.873 -11.533   1.220  1.00 11.50           C
ATOM    921  OD1 ASP A  58      -8.817 -12.363   1.138  1.00 11.70           O
ATOM    922  OD2 ASP A  58      -7.100 -11.354   0.241  1.00 10.05           O
ATOM      0  H   ASP A  58      -8.524  -8.988   0.799  1.00  9.11           H   new
ATOM      0  HA  ASP A  58      -9.918 -10.363   2.781  1.00  7.91           H   new
ATOM      0  HB2 ASP A  58      -6.871 -10.013   2.358  1.00  8.41           H   new
ATOM      0  HB3 ASP A  58      -7.583 -11.284   3.333  1.00  8.41           H   new
ATOM    927  N   TYR A  59      -8.296  -7.824   3.969  1.00  7.97           N
ATOM    928  CA  TYR A  59      -8.243  -6.991   5.131  1.00  8.45           C
ATOM    929  C   TYR A  59      -9.404  -6.117   5.459  1.00 10.98           C
ATOM    930  O   TYR A  59      -9.435  -5.466   6.503  1.00 12.95           O
ATOM    931  CB  TYR A  59      -6.969  -6.140   5.001  1.00  7.94           C
ATOM    932  CG  TYR A  59      -5.780  -7.037   4.953  1.00  6.91           C
ATOM    933  CD1 TYR A  59      -5.239  -7.484   6.136  1.00  6.98           C
ATOM    934  CD2 TYR A  59      -5.140  -7.306   3.766  1.00  4.59           C
ATOM    935  CE1 TYR A  59      -4.028  -8.135   6.120  1.00  6.52           C
ATOM    936  CE2 TYR A  59      -3.884  -7.866   3.775  1.00  5.39           C
ATOM    937  CZ  TYR A  59      -3.331  -8.318   4.950  1.00  6.76           C
ATOM    938  OH  TYR A  59      -2.075  -8.957   5.013  1.00  7.63           O
ATOM      0  H   TYR A  59      -7.908  -7.382   3.136  1.00  7.97           H   new
ATOM      0  HA  TYR A  59      -8.258  -7.684   5.972  1.00  8.45           H   new
ATOM      0  HB2 TYR A  59      -7.016  -5.530   4.099  1.00  7.94           H   new
ATOM      0  HB3 TYR A  59      -6.888  -5.455   5.845  1.00  7.94           H   new
ATOM      0  HD1 TYR A  59      -5.760  -7.325   7.068  1.00  6.98           H   new
ATOM      0  HD2 TYR A  59      -5.623  -7.078   2.828  1.00  4.59           H   new
ATOM      0  HE1 TYR A  59      -3.616  -8.510   7.045  1.00  6.52           H   new
ATOM      0  HE2 TYR A  59      -3.328  -7.951   2.853  1.00  5.39           H   new
ATOM      0  HH  TYR A  59      -1.513  -8.509   5.679  1.00  7.63           H   new
ATOM    948  N   ASN A  60     -10.370  -5.992   4.532  1.00 12.38           N
ATOM    949  CA  ASN A  60     -11.661  -5.378   4.528  1.00 13.94           C
ATOM    950  C   ASN A  60     -11.464  -3.938   4.203  1.00 14.16           C
ATOM    951  O   ASN A  60     -11.880  -3.052   4.948  1.00 14.26           O
ATOM    952  CB  ASN A  60     -12.502  -5.643   5.788  1.00 19.23           C
ATOM    953  CG  ASN A  60     -12.643  -7.074   6.290  1.00 22.65           C
ATOM    954  OD1 ASN A  60     -12.444  -7.429   7.450  1.00 25.45           O
ATOM    955  ND2 ASN A  60     -12.953  -7.998   5.342  1.00 24.09           N
ATOM      0  H   ASN A  60     -10.202  -6.404   3.614  1.00 12.38           H   new
ATOM      0  HA  ASN A  60     -12.281  -5.842   3.761  1.00 13.94           H   new
ATOM      0  HB2 ASN A  60     -12.078  -5.050   6.598  1.00 19.23           H   new
ATOM      0  HB3 ASN A  60     -13.505  -5.258   5.602  1.00 19.23           H   new
ATOM      0 HD21 ASN A  60     -13.020  -8.984   5.594  1.00 24.09           H   new
ATOM      0 HD22 ASN A  60     -13.118  -7.705   4.379  1.00 24.09           H   new
ATOM    962  N   ILE A  61     -10.829  -3.657   3.051  1.00 11.08           N
ATOM    963  CA  ILE A  61     -10.437  -2.333   2.678  1.00 11.78           C
ATOM    964  C   ILE A  61     -11.477  -2.053   1.648  1.00 13.74           C
ATOM    965  O   ILE A  61     -11.504  -2.523   0.512  1.00 14.60           O
ATOM    966  CB  ILE A  61      -9.092  -2.168   2.035  1.00 11.80           C
ATOM    967  CG1 ILE A  61      -8.057  -2.577   3.097  1.00 11.56           C
ATOM    968  CG2 ILE A  61      -8.878  -0.726   1.544  1.00 13.29           C
ATOM    969  CD1 ILE A  61      -6.627  -2.785   2.602  1.00 11.42           C
ATOM      0  H   ILE A  61     -10.582  -4.367   2.362  1.00 11.08           H   new
ATOM      0  HA  ILE A  61     -10.360  -1.691   3.556  1.00 11.78           H   new
ATOM      0  HB  ILE A  61      -8.998  -2.792   1.146  1.00 11.80           H   new
ATOM      0 HG12 ILE A  61      -8.043  -1.812   3.873  1.00 11.56           H   new
ATOM      0 HG13 ILE A  61      -8.395  -3.501   3.566  1.00 11.56           H   new
ATOM      0 HG21 ILE A  61      -7.894  -0.641   1.083  1.00 13.29           H   new
ATOM      0 HG22 ILE A  61      -9.645  -0.474   0.811  1.00 13.29           H   new
ATOM      0 HG23 ILE A  61      -8.944  -0.040   2.389  1.00 13.29           H   new
ATOM      0 HD11 ILE A  61      -5.990  -3.070   3.439  1.00 11.42           H   new
ATOM      0 HD12 ILE A  61      -6.613  -3.574   1.850  1.00 11.42           H   new
ATOM      0 HD13 ILE A  61      -6.256  -1.859   2.163  1.00 11.42           H   new
ATOM    981  N   GLN A  62     -12.529  -1.285   1.984  1.00 13.97           N
ATOM    982  CA  GLN A  62     -13.688  -0.812   1.292  1.00 15.52           C
ATOM    983  C   GLN A  62     -13.338   0.506   0.693  1.00 13.94           C
ATOM    984  O   GLN A  62     -12.222   0.998   0.856  1.00 12.15           O
ATOM    985  CB  GLN A  62     -14.854  -0.689   2.287  1.00 19.53           C
ATOM    986  CG  GLN A  62     -15.395  -2.067   2.675  1.00 26.38           C
ATOM    987  CD  GLN A  62     -16.283  -2.016   3.910  1.00 30.61           C
ATOM    988  OE1 GLN A  62     -15.949  -1.259   4.820  1.00 33.23           O
ATOM    989  NE2 GLN A  62     -17.424  -2.756   3.903  1.00 32.71           N
ATOM      0  H   GLN A  62     -12.561  -0.930   2.940  1.00 13.97           H   new
ATOM      0  HA  GLN A  62     -13.998  -1.498   0.504  1.00 15.52           H   new
ATOM      0  HB2 GLN A  62     -14.520  -0.161   3.180  1.00 19.53           H   new
ATOM      0  HB3 GLN A  62     -15.652  -0.093   1.845  1.00 19.53           H   new
ATOM      0  HG2 GLN A  62     -15.962  -2.480   1.840  1.00 26.38           H   new
ATOM      0  HG3 GLN A  62     -14.560  -2.743   2.859  1.00 26.38           H   new
ATOM      0 HE21 GLN A  62     -17.633  -3.363   3.110  1.00 32.71           H   new
ATOM      0 HE22 GLN A  62     -18.070  -2.704   4.690  1.00 32.71           H   new
ATOM    998  N   LYS A  63     -14.297   1.176   0.029  1.00 11.73           N
ATOM    999  CA  LYS A  63     -14.119   2.442  -0.613  1.00 11.97           C
ATOM   1000  C   LYS A  63     -13.850   3.572   0.320  1.00 10.41           C
ATOM   1001  O   LYS A  63     -14.249   3.514   1.482  1.00  9.59           O
ATOM   1002  CB  LYS A  63     -15.309   2.901  -1.473  1.00 13.73           C
ATOM   1003  CG  LYS A  63     -16.722   2.898  -0.888  1.00 16.98           C
ATOM   1004  CD  LYS A  63     -17.742   3.457  -1.882  1.00 20.19           C
ATOM   1005  CE  LYS A  63     -19.207   3.314  -1.467  1.00 23.42           C
ATOM   1006  NZ  LYS A  63     -19.537   3.890  -0.144  1.00 25.97           N
ATOM      0  H   LYS A  63     -15.246   0.815  -0.065  1.00 11.73           H   new
ATOM      0  HA  LYS A  63     -13.250   2.234  -1.238  1.00 11.97           H   new
ATOM      0  HB2 LYS A  63     -15.097   3.918  -1.803  1.00 13.73           H   new
ATOM      0  HB3 LYS A  63     -15.326   2.274  -2.364  1.00 13.73           H   new
ATOM      0  HG2 LYS A  63     -17.001   1.881  -0.613  1.00 16.98           H   new
ATOM      0  HG3 LYS A  63     -16.740   3.492   0.026  1.00 16.98           H   new
ATOM      0  HD2 LYS A  63     -17.528   4.514  -2.041  1.00 20.19           H   new
ATOM      0  HD3 LYS A  63     -17.603   2.956  -2.840  1.00 20.19           H   new
ATOM      0  HE2 LYS A  63     -19.832   3.792  -2.222  1.00 23.42           H   new
ATOM      0  HE3 LYS A  63     -19.467   2.255  -1.462  1.00 23.42           H   new
ATOM      0  HZ1 LYS A  63     -20.548   3.748   0.054  1.00 25.97           H   new
ATOM      0  HZ2 LYS A  63     -18.971   3.420   0.590  1.00 25.97           H   new
ATOM      0  HZ3 LYS A  63     -19.325   4.908  -0.146  1.00 25.97           H   new
ATOM   1020  N   GLU A  64     -13.019   4.534  -0.121  1.00 10.04           N
ATOM   1021  CA  GLU A  64     -12.669   5.734   0.572  1.00 10.94           C
ATOM   1022  C   GLU A  64     -11.871   5.594   1.823  1.00  9.74           C
ATOM   1023  O   GLU A  64     -12.168   6.024   2.937  1.00  9.42           O
ATOM   1024  CB  GLU A  64     -13.802   6.770   0.667  1.00 18.31           C
ATOM   1025  CG  GLU A  64     -14.540   7.000  -0.653  1.00 24.16           C
ATOM   1026  CD  GLU A  64     -15.489   8.191  -0.659  1.00 29.00           C
ATOM   1027  OE1 GLU A  64     -15.159   9.287  -0.133  1.00 31.72           O
ATOM   1028  OE2 GLU A  64     -16.625   7.971  -1.157  1.00 32.61           O
ATOM      0  H   GLU A  64     -12.559   4.466  -1.029  1.00 10.04           H   new
ATOM      0  HA  GLU A  64     -11.936   6.161  -0.112  1.00 10.94           H   new
ATOM      0  HB2 GLU A  64     -14.518   6.443   1.421  1.00 18.31           H   new
ATOM      0  HB3 GLU A  64     -13.387   7.718   1.011  1.00 18.31           H   new
ATOM      0  HG2 GLU A  64     -13.804   7.137  -1.445  1.00 24.16           H   new
ATOM      0  HG3 GLU A  64     -15.107   6.101  -0.897  1.00 24.16           H   new
ATOM   1035  N   SER A  65     -10.746   4.865   1.714  1.00  6.85           N
ATOM   1036  CA  SER A  65     -10.145   4.154   2.799  1.00  6.90           C
ATOM   1037  C   SER A  65      -8.679   4.397   2.919  1.00  4.72           C
ATOM   1038  O   SER A  65      -7.983   4.369   1.905  1.00  3.91           O
ATOM   1039  CB  SER A  65     -10.398   2.637   2.785  1.00  7.28           C
ATOM   1040  OG  SER A  65     -10.205   1.974   4.026  1.00 10.56           O
ATOM      0  H   SER A  65     -10.236   4.767   0.836  1.00  6.85           H   new
ATOM      0  HA  SER A  65     -10.651   4.568   3.671  1.00  6.90           H   new
ATOM      0  HB2 SER A  65     -11.421   2.460   2.453  1.00  7.28           H   new
ATOM      0  HB3 SER A  65      -9.740   2.183   2.044  1.00  7.28           H   new
ATOM      0  HG  SER A  65     -10.390   1.018   3.918  1.00 10.56           H   new
ATOM   1046  N   THR A  66      -8.264   4.650   4.173  1.00  4.48           N
ATOM   1047  CA  THR A  66      -6.922   4.933   4.579  1.00  3.80           C
ATOM   1048  C   THR A  66      -6.023   3.748   4.665  1.00  4.60           C
ATOM   1049  O   THR A  66      -6.219   2.862   5.495  1.00  5.33           O
ATOM   1050  CB  THR A  66      -6.779   5.667   5.879  1.00  2.85           C
ATOM   1051  OG1 THR A  66      -7.265   6.999   5.794  1.00  2.15           O
ATOM   1052  CG2 THR A  66      -5.330   5.848   6.360  1.00  3.40           C
ATOM      0  H   THR A  66      -8.914   4.657   4.959  1.00  4.48           H   new
ATOM      0  HA  THR A  66      -6.615   5.579   3.757  1.00  3.80           H   new
ATOM      0  HB  THR A  66      -7.343   5.035   6.565  1.00  2.85           H   new
ATOM      0  HG1 THR A  66      -7.156   7.443   6.661  1.00  2.15           H   new
ATOM      0 HG21 THR A  66      -5.326   6.389   7.306  1.00  3.40           H   new
ATOM      0 HG22 THR A  66      -4.868   4.871   6.498  1.00  3.40           H   new
ATOM      0 HG23 THR A  66      -4.768   6.413   5.617  1.00  3.40           H   new
ATOM   1060  N   LEU A  67      -4.983   3.780   3.813  1.00  4.17           N
ATOM   1061  CA  LEU A  67      -3.886   2.882   4.000  1.00  3.85           C
ATOM   1062  C   LEU A  67      -2.674   3.685   4.323  1.00  3.80           C
ATOM   1063  O   LEU A  67      -2.630   4.803   3.811  1.00  5.54           O
ATOM   1064  CB  LEU A  67      -3.511   2.068   2.750  1.00  7.18           C
ATOM   1065  CG  LEU A  67      -4.271   0.798   2.334  1.00  9.67           C
ATOM   1066  CD1 LEU A  67      -5.754   1.117   2.082  1.00 11.66           C
ATOM   1067  CD2 LEU A  67      -3.705   0.128   1.070  1.00  8.12           C
ATOM      0  H   LEU A  67      -4.901   4.410   3.015  1.00  4.17           H   new
ATOM      0  HA  LEU A  67      -4.200   2.193   4.784  1.00  3.85           H   new
ATOM      0  HB2 LEU A  67      -3.562   2.754   1.904  1.00  7.18           H   new
ATOM      0  HB3 LEU A  67      -2.466   1.782   2.866  1.00  7.18           H   new
ATOM      0  HG  LEU A  67      -4.152   0.103   3.165  1.00  9.67           H   new
ATOM      0 HD11 LEU A  67      -6.277   0.207   1.788  1.00 11.66           H   new
ATOM      0 HD12 LEU A  67      -6.201   1.514   2.993  1.00 11.66           H   new
ATOM      0 HD13 LEU A  67      -5.837   1.856   1.285  1.00 11.66           H   new
ATOM      0 HD21 LEU A  67      -4.290  -0.761   0.836  1.00  8.12           H   new
ATOM      0 HD22 LEU A  67      -3.756   0.826   0.234  1.00  8.12           H   new
ATOM      0 HD23 LEU A  67      -2.667  -0.156   1.243  1.00  8.12           H   new
ATOM   1079  N   HIS A  68      -1.829   3.263   5.281  1.00  2.94           N
ATOM   1080  CA  HIS A  68      -0.681   4.020   5.672  1.00  4.17           C
ATOM   1081  C   HIS A  68       0.560   3.483   5.046  1.00  5.32           C
ATOM   1082  O   HIS A  68       0.902   2.314   5.213  1.00  7.70           O
ATOM   1083  CB  HIS A  68      -0.489   3.911   7.194  1.00  5.57           C
ATOM   1084  CG  HIS A  68      -1.454   4.739   7.991  1.00  9.95           C
ATOM   1085  ND1 HIS A  68      -1.269   6.092   8.185  1.00 13.74           N
ATOM   1086  CD2 HIS A  68      -2.660   4.460   8.555  1.00 12.79           C
ATOM   1087  CE1 HIS A  68      -2.290   6.495   8.988  1.00 14.75           C
ATOM   1088  NE2 HIS A  68      -3.151   5.534   9.268  1.00 16.30           N
ATOM      0  H   HIS A  68      -1.944   2.387   5.790  1.00  2.94           H   new
ATOM      0  HA  HIS A  68      -0.847   5.050   5.355  1.00  4.17           H   new
ATOM      0  HB2 HIS A  68      -0.592   2.867   7.489  1.00  5.57           H   new
ATOM      0  HB3 HIS A  68       0.528   4.214   7.444  1.00  5.57           H   new
ATOM      0  HD2 HIS A  68      -3.171   3.513   8.457  1.00 12.79           H   new
ATOM      0  HE1 HIS A  68      -2.387   7.504   9.361  1.00 14.75           H   new
ATOM      0  HE2 HIS A  68      -3.977   5.576   9.865  1.00 16.30           H   new
ATOM   1096  N   LEU A  69       1.241   4.376   4.306  1.00  5.29           N
ATOM   1097  CA  LEU A  69       2.531   4.115   3.747  1.00  3.97           C
ATOM   1098  C   LEU A  69       3.596   4.667   4.631  1.00  5.07           C
ATOM   1099  O   LEU A  69       3.773   5.862   4.864  1.00  4.34           O
ATOM   1100  CB  LEU A  69       2.567   4.783   2.362  1.00  6.08           C
ATOM   1101  CG  LEU A  69       3.890   4.587   1.602  1.00  7.37           C
ATOM   1102  CD1 LEU A  69       4.118   3.102   1.269  1.00  9.96           C
ATOM   1103  CD2 LEU A  69       3.962   5.425   0.314  1.00  6.87           C
ATOM      0  H   LEU A  69       0.884   5.307   4.090  1.00  5.29           H   new
ATOM      0  HA  LEU A  69       2.709   3.043   3.656  1.00  3.97           H   new
ATOM      0  HB2 LEU A  69       1.752   4.385   1.758  1.00  6.08           H   new
ATOM      0  HB3 LEU A  69       2.384   5.851   2.481  1.00  6.08           H   new
ATOM      0  HG  LEU A  69       4.680   4.935   2.267  1.00  7.37           H   new
ATOM      0 HD11 LEU A  69       5.060   2.990   0.732  1.00  9.96           H   new
ATOM      0 HD12 LEU A  69       4.156   2.524   2.192  1.00  9.96           H   new
ATOM      0 HD13 LEU A  69       3.300   2.739   0.647  1.00  9.96           H   new
ATOM      0 HD21 LEU A  69       4.916   5.248  -0.182  1.00  6.87           H   new
ATOM      0 HD22 LEU A  69       3.148   5.139  -0.352  1.00  6.87           H   new
ATOM      0 HD23 LEU A  69       3.873   6.483   0.563  1.00  6.87           H   new
ATOM   1115  N   VAL A  70       4.437   3.753   5.147  1.00  4.29           N
ATOM   1116  CA  VAL A  70       5.636   3.917   5.908  1.00  6.26           C
ATOM   1117  C   VAL A  70       6.738   3.152   5.260  1.00  9.22           C
ATOM   1118  O   VAL A  70       6.562   2.487   4.240  1.00  9.36           O
ATOM   1119  CB  VAL A  70       5.448   3.466   7.326  1.00  8.69           C
ATOM   1120  CG1 VAL A  70       4.888   4.700   8.053  1.00  9.76           C
ATOM   1121  CG2 VAL A  70       4.620   2.172   7.402  1.00  8.54           C
ATOM      0  H   VAL A  70       4.243   2.761   5.007  1.00  4.29           H   new
ATOM      0  HA  VAL A  70       5.892   4.976   5.933  1.00  6.26           H   new
ATOM      0  HB  VAL A  70       6.366   3.157   7.826  1.00  8.69           H   new
ATOM      0 HG11 VAL A  70       4.720   4.459   9.103  1.00  9.76           H   new
ATOM      0 HG12 VAL A  70       5.602   5.521   7.979  1.00  9.76           H   new
ATOM      0 HG13 VAL A  70       3.945   4.997   7.593  1.00  9.76           H   new
ATOM      0 HG21 VAL A  70       4.504   1.875   8.444  1.00  8.54           H   new
ATOM      0 HG22 VAL A  70       3.638   2.342   6.962  1.00  8.54           H   new
ATOM      0 HG23 VAL A  70       5.131   1.380   6.854  1.00  8.54           H   new
ATOM   1131  N   LEU A  71       7.969   3.238   5.795  1.00 12.71           N
ATOM   1132  CA  LEU A  71       9.109   2.497   5.351  1.00 16.06           C
ATOM   1133  C   LEU A  71       9.772   1.647   6.379  1.00 18.09           C
ATOM   1134  O   LEU A  71       9.801   1.962   7.568  1.00 19.26           O
ATOM   1135  CB  LEU A  71      10.135   3.508   4.813  1.00 17.10           C
ATOM   1136  CG  LEU A  71       9.510   4.448   3.768  1.00 19.37           C
ATOM   1137  CD1 LEU A  71       9.224   5.883   4.243  1.00 19.57           C
ATOM   1138  CD2 LEU A  71      10.409   4.573   2.526  1.00 17.51           C
ATOM      0  H   LEU A  71       8.180   3.857   6.578  1.00 12.71           H   new
ATOM      0  HA  LEU A  71       8.744   1.798   4.599  1.00 16.06           H   new
ATOM      0  HB2 LEU A  71      10.535   4.096   5.639  1.00 17.10           H   new
ATOM      0  HB3 LEU A  71      10.974   2.974   4.367  1.00 17.10           H   new
ATOM      0  HG  LEU A  71       8.554   3.970   3.553  1.00 19.37           H   new
ATOM      0 HD11 LEU A  71       8.785   6.456   3.426  1.00 19.57           H   new
ATOM      0 HD12 LEU A  71       8.529   5.857   5.082  1.00 19.57           H   new
ATOM      0 HD13 LEU A  71      10.155   6.355   4.558  1.00 19.57           H   new
ATOM      0 HD21 LEU A  71       9.942   5.243   1.805  1.00 17.51           H   new
ATOM      0 HD22 LEU A  71      11.380   4.974   2.818  1.00 17.51           H   new
ATOM      0 HD23 LEU A  71      10.543   3.590   2.074  1.00 17.51           H   new