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  116:sc=    1.14
USER  MOD Set 1.2: A   9 THR OG1 :   rot  180:sc=   0.623
USER  MOD Single : A   1 MET CE  :methyl -155:sc=  -0.172   (180deg=-0.737)
USER  MOD Single : A   1 MET N   :NH3+    175:sc=   0.766   (180deg=0.739)
USER  MOD Single : A   2 GLN     :      amide:sc=   0.288  X(o=0.29,f=-0.026)
USER  MOD Single : A   6 LYS NZ  :NH3+    156:sc= -0.0927   (180deg=-0.418)
USER  MOD Single : A  11 LYS NZ  :NH3+   -178:sc=     1.3   (180deg=1.28)
USER  MOD Single : A  12 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  14 THR OG1 :   rot   27:sc=   0.312
USER  MOD Single : A  20 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  22 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  25 ASN     :FLIP  amide:sc=   0.026  F(o=-1.3,f=0.026)
USER  MOD Single : A  27 LYS NZ  :NH3+    180:sc=    2.39   (180deg=2.39)
USER  MOD Single : A  29 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  31 GLN     :      amide:sc=  -0.233  K(o=-0.23,f=-0.9)
USER  MOD Single : A  33 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  40 GLN     :      amide:sc=  -0.417  K(o=-0.42,f=-4.1!)
USER  MOD Single : A  41 GLN     :      amide:sc=   0.266  K(o=0.27,f=-2.3!)
USER  MOD Single : A  48 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  49 GLN     :      amide:sc=-0.00146  K(o=-0.0015,f=-1.8)
USER  MOD Single : A  55 THR OG1 :   rot  -65:sc=    1.13
USER  MOD Single : A  57 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  59 TYR OH  :   rot  180:sc=   0.668
USER  MOD Single : A  60 ASN     :      amide:sc= -0.0309  X(o=-0.031,f=0)
USER  MOD Single : A  62 GLN     :      amide:sc= -0.0315  X(o=-0.031,f=-0.032)
USER  MOD Single : A  63 LYS NZ  :NH3+    167:sc=       0   (180deg=-0.285)
USER  MOD Single : A  65 SER OG  :   rot   91:sc=    1.01
USER  MOD Single : A  66 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  68 HIS     :     no HD1:sc= -0.0711  X(o=-0.071,f=-0.41)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   MET A   1     -12.785   3.638  -4.828  1.00  9.67           N
ATOM      2  CA  MET A   1     -12.336   4.186  -3.529  1.00 10.38           C
ATOM      3  C   MET A   1     -10.982   4.806  -3.576  1.00  9.62           C
ATOM      4  O   MET A   1      -9.989   4.185  -3.953  1.00  9.62           O
ATOM      5  CB  MET A   1     -12.209   2.924  -2.659  1.00 13.77           C
ATOM      6  CG  MET A   1     -11.523   3.000  -1.293  1.00 16.29           C
ATOM      7  SD  MET A   1     -10.285   1.707  -0.976  1.00 17.17           S
ATOM      8  CE  MET A   1     -11.467   0.341  -1.157  1.00 16.11           C
ATOM      0  H1  MET A   1     -13.694   3.149  -4.703  1.00  9.67           H   new
ATOM      0  H2  MET A   1     -12.900   4.414  -5.511  1.00  9.67           H   new
ATOM      0  H3  MET A   1     -12.077   2.965  -5.185  1.00  9.67           H   new
ATOM      0  HA  MET A   1     -13.023   4.960  -3.186  1.00 10.38           H   new
ATOM      0  HB2 MET A   1     -13.216   2.541  -2.495  1.00 13.77           H   new
ATOM      0  HB3 MET A   1     -11.676   2.177  -3.248  1.00 13.77           H   new
ATOM      0  HG2 MET A   1     -11.041   3.973  -1.200  1.00 16.29           H   new
ATOM      0  HG3 MET A   1     -12.287   2.947  -0.517  1.00 16.29           H   new
ATOM      0  HE1 MET A   1     -11.111  -0.525  -0.599  1.00 16.11           H   new
ATOM      0  HE2 MET A   1     -12.439   0.647  -0.770  1.00 16.11           H   new
ATOM      0  HE3 MET A   1     -11.562   0.079  -2.211  1.00 16.11           H   new
ATOM     20  N   GLN A   2     -10.762   6.094  -3.257  1.00  9.27           N
ATOM     21  CA  GLN A   2      -9.456   6.651  -3.087  1.00  9.07           C
ATOM     22  C   GLN A   2      -8.850   6.329  -1.765  1.00  8.72           C
ATOM     23  O   GLN A   2      -9.497   6.224  -0.724  1.00  8.22           O
ATOM     24  CB  GLN A   2      -9.679   8.163  -3.263  1.00 14.46           C
ATOM     25  CG  GLN A   2      -8.457   9.047  -3.003  1.00 17.01           C
ATOM     26  CD  GLN A   2      -8.730  10.508  -3.329  1.00 20.10           C
ATOM     27  OE1 GLN A   2      -9.157  10.859  -4.428  1.00 21.89           O
ATOM     28  NE2 GLN A   2      -8.447  11.381  -2.326  1.00 19.49           N
ATOM      0  H   GLN A   2     -11.514   6.767  -3.113  1.00  9.27           H   new
ATOM      0  HA  GLN A   2      -8.744   6.239  -3.802  1.00  9.07           H   new
ATOM      0  HB2 GLN A   2     -10.027   8.345  -4.280  1.00 14.46           H   new
ATOM      0  HB3 GLN A   2     -10.480   8.474  -2.592  1.00 14.46           H   new
ATOM      0  HG2 GLN A   2      -8.161   8.958  -1.958  1.00 17.01           H   new
ATOM      0  HG3 GLN A   2      -7.619   8.692  -3.603  1.00 17.01           H   new
ATOM      0 HE21 GLN A   2      -8.095  11.035  -1.433  1.00 19.49           H   new
ATOM      0 HE22 GLN A   2      -8.587  12.382  -2.466  1.00 19.49           H   new
ATOM     37  N   ILE A   3      -7.560   5.950  -1.768  1.00  5.87           N
ATOM     38  CA  ILE A   3      -6.758   5.698  -0.611  1.00  5.07           C
ATOM     39  C   ILE A   3      -5.625   6.660  -0.718  1.00  4.01           C
ATOM     40  O   ILE A   3      -5.232   7.131  -1.784  1.00  4.61           O
ATOM     41  CB  ILE A   3      -6.222   4.316  -0.384  1.00  6.55           C
ATOM     42  CG1 ILE A   3      -5.401   3.616  -1.480  1.00  4.72           C
ATOM     43  CG2 ILE A   3      -7.428   3.464   0.045  1.00  5.58           C
ATOM     44  CD1 ILE A   3      -4.614   2.405  -0.981  1.00 10.83           C
ATOM      0  H   ILE A   3      -7.044   5.811  -2.636  1.00  5.87           H   new
ATOM      0  HA  ILE A   3      -7.416   5.816   0.250  1.00  5.07           H   new
ATOM      0  HB  ILE A   3      -5.441   4.429   0.368  1.00  6.55           H   new
ATOM      0 HG12 ILE A   3      -6.073   3.298  -2.277  1.00  4.72           H   new
ATOM      0 HG13 ILE A   3      -4.707   4.334  -1.916  1.00  4.72           H   new
ATOM      0 HG21 ILE A   3      -7.103   2.439   0.227  1.00  5.58           H   new
ATOM      0 HG22 ILE A   3      -7.858   3.876   0.958  1.00  5.58           H   new
ATOM      0 HG23 ILE A   3      -8.179   3.472  -0.745  1.00  5.58           H   new
ATOM      0 HD11 ILE A   3      -4.060   1.964  -1.810  1.00 10.83           H   new
ATOM      0 HD12 ILE A   3      -3.916   2.719  -0.205  1.00 10.83           H   new
ATOM      0 HD13 ILE A   3      -5.303   1.667  -0.572  1.00 10.83           H   new
ATOM     56  N   PHE A   4      -5.044   6.972   0.454  1.00  4.55           N
ATOM     57  CA  PHE A   4      -3.817   7.689   0.613  1.00  4.68           C
ATOM     58  C   PHE A   4      -2.668   6.858   1.069  1.00  5.30           C
ATOM     59  O   PHE A   4      -2.707   6.295   2.162  1.00  5.58           O
ATOM     60  CB  PHE A   4      -3.950   8.787   1.681  1.00  4.83           C
ATOM     61  CG  PHE A   4      -5.078   9.734   1.455  1.00  7.97           C
ATOM     62  CD1 PHE A   4      -5.044  10.497   0.311  1.00  6.69           C
ATOM     63  CD2 PHE A   4      -6.170   9.821   2.285  1.00  8.34           C
ATOM     64  CE1 PHE A   4      -6.042  11.413   0.077  1.00  9.10           C
ATOM     65  CE2 PHE A   4      -7.184  10.710   2.014  1.00 10.61           C
ATOM     66  CZ  PHE A   4      -7.170  11.462   0.863  1.00  8.90           C
ATOM      0  H   PHE A   4      -5.458   6.706   1.347  1.00  4.55           H   new
ATOM      0  HA  PHE A   4      -3.622   8.077  -0.387  1.00  4.68           H   new
ATOM      0  HB2 PHE A   4      -4.078   8.315   2.655  1.00  4.83           H   new
ATOM      0  HB3 PHE A   4      -3.019   9.353   1.720  1.00  4.83           H   new
ATOM      0  HD1 PHE A   4      -4.239  10.377  -0.399  1.00  6.69           H   new
ATOM      0  HD2 PHE A   4      -6.232   9.186   3.157  1.00  8.34           H   new
ATOM      0  HE1 PHE A   4      -5.938  12.109  -0.742  1.00  9.10           H   new
ATOM      0  HE2 PHE A   4      -8.000  10.819   2.713  1.00 10.61           H   new
ATOM      0  HZ  PHE A   4      -8.017  12.071   0.585  1.00  8.90           H   new
ATOM     76  N   VAL A   5      -1.607   6.914   0.244  1.00  4.44           N
ATOM     77  CA  VAL A   5      -0.410   6.208   0.580  1.00  3.87           C
ATOM     78  C   VAL A   5       0.687   7.141   0.961  1.00  4.93           C
ATOM     79  O   VAL A   5       1.223   7.896   0.151  1.00  6.84           O
ATOM     80  CB  VAL A   5      -0.002   5.292  -0.536  1.00  2.99           C
ATOM     81  CG1 VAL A   5       1.341   4.591  -0.272  1.00  5.28           C
ATOM     82  CG2 VAL A   5      -1.088   4.213  -0.681  1.00  9.13           C
ATOM      0  H   VAL A   5      -1.576   7.434  -0.633  1.00  4.44           H   new
ATOM      0  HA  VAL A   5      -0.617   5.592   1.455  1.00  3.87           H   new
ATOM      0  HB  VAL A   5       0.113   5.893  -1.438  1.00  2.99           H   new
ATOM      0 HG11 VAL A   5       1.584   3.942  -1.113  1.00  5.28           H   new
ATOM      0 HG12 VAL A   5       2.125   5.339  -0.153  1.00  5.28           H   new
ATOM      0 HG13 VAL A   5       1.268   3.995   0.637  1.00  5.28           H   new
ATOM      0 HG21 VAL A   5      -0.818   3.531  -1.487  1.00  9.13           H   new
ATOM      0 HG22 VAL A   5      -1.174   3.656   0.252  1.00  9.13           H   new
ATOM      0 HG23 VAL A   5      -2.043   4.686  -0.911  1.00  9.13           H   new
ATOM     92  N   LYS A   6       1.141   7.101   2.226  1.00  6.04           N
ATOM     93  CA  LYS A   6       2.208   7.940   2.677  1.00  6.12           C
ATOM     94  C   LYS A   6       3.496   7.194   2.740  1.00  6.57           C
ATOM     95  O   LYS A   6       3.598   6.181   3.431  1.00  5.76           O
ATOM     96  CB  LYS A   6       1.853   8.430   4.091  1.00  7.45           C
ATOM     97  CG  LYS A   6       2.858   9.283   4.868  1.00 11.12           C
ATOM     98  CD  LYS A   6       2.244   9.836   6.155  1.00 14.54           C
ATOM     99  CE  LYS A   6       3.047  11.057   6.611  1.00 18.84           C
ATOM    100  NZ  LYS A   6       2.942  12.223   5.706  1.00 20.55           N
ATOM      0  H   LYS A   6       0.765   6.481   2.943  1.00  6.04           H   new
ATOM      0  HA  LYS A   6       2.329   8.769   1.980  1.00  6.12           H   new
ATOM      0  HB2 LYS A   6       0.928   9.002   4.016  1.00  7.45           H   new
ATOM      0  HB3 LYS A   6       1.635   7.550   4.696  1.00  7.45           H   new
ATOM      0  HG2 LYS A   6       3.736   8.684   5.110  1.00 11.12           H   new
ATOM      0  HG3 LYS A   6       3.198  10.108   4.242  1.00 11.12           H   new
ATOM      0  HD2 LYS A   6       1.203  10.113   5.986  1.00 14.54           H   new
ATOM      0  HD3 LYS A   6       2.249   9.072   6.932  1.00 14.54           H   new
ATOM      0  HE2 LYS A   6       2.708  11.350   7.605  1.00 18.84           H   new
ATOM      0  HE3 LYS A   6       4.096  10.775   6.702  1.00 18.84           H   new
ATOM      0  HZ1 LYS A   6       3.145  13.094   6.237  1.00 20.55           H   new
ATOM      0  HZ2 LYS A   6       3.627  12.123   4.930  1.00 20.55           H   new
ATOM      0  HZ3 LYS A   6       1.980  12.273   5.314  1.00 20.55           H   new
ATOM    114  N   THR A   7       4.522   7.681   2.020  1.00  7.41           N
ATOM    115  CA  THR A   7       5.816   7.097   1.847  1.00  7.48           C
ATOM    116  C   THR A   7       6.737   7.311   2.999  1.00  8.75           C
ATOM    117  O   THR A   7       6.394   8.162   3.818  1.00  8.58           O
ATOM    118  CB  THR A   7       6.531   7.489   0.588  1.00  9.61           C
ATOM    119  OG1 THR A   7       7.079   8.799   0.602  1.00 11.78           O
ATOM    120  CG2 THR A   7       5.675   7.405  -0.687  1.00  9.17           C
ATOM      0  H   THR A   7       4.436   8.563   1.514  1.00  7.41           H   new
ATOM      0  HA  THR A   7       5.569   6.038   1.776  1.00  7.48           H   new
ATOM      0  HB  THR A   7       7.326   6.744   0.563  1.00  9.61           H   new
ATOM      0  HG1 THR A   7       8.056   8.745   0.548  1.00 11.78           H   new
ATOM      0 HG21 THR A   7       6.273   7.706  -1.547  1.00  9.17           H   new
ATOM      0 HG22 THR A   7       5.329   6.381  -0.826  1.00  9.17           H   new
ATOM      0 HG23 THR A   7       4.815   8.069  -0.592  1.00  9.17           H   new
ATOM    128  N   LEU A   8       7.908   6.659   3.113  1.00  9.84           N
ATOM    129  CA  LEU A   8       8.756   6.898   4.240  1.00 14.15           C
ATOM    130  C   LEU A   8       9.594   8.129   4.261  1.00 17.37           C
ATOM    131  O   LEU A   8      10.113   8.587   5.278  1.00 17.01           O
ATOM    132  CB  LEU A   8       9.687   5.679   4.343  1.00 16.63           C
ATOM    133  CG  LEU A   8      10.433   5.406   5.660  1.00 18.88           C
ATOM    134  CD1 LEU A   8       9.397   4.931   6.693  1.00 18.59           C
ATOM    135  CD2 LEU A   8      11.564   4.393   5.415  1.00 19.31           C
ATOM      0  H   LEU A   8       8.263   5.980   2.440  1.00  9.84           H   new
ATOM      0  HA  LEU A   8       8.075   7.056   5.076  1.00 14.15           H   new
ATOM      0  HB2 LEU A   8       9.093   4.794   4.114  1.00 16.63           H   new
ATOM      0  HB3 LEU A   8      10.436   5.772   3.557  1.00 16.63           H   new
ATOM      0  HG  LEU A   8      10.914   6.303   6.051  1.00 18.88           H   new
ATOM      0 HD11 LEU A   8       9.895   4.728   7.641  1.00 18.59           H   new
ATOM      0 HD12 LEU A   8       8.645   5.707   6.837  1.00 18.59           H   new
ATOM      0 HD13 LEU A   8       8.916   4.021   6.334  1.00 18.59           H   new
ATOM      0 HD21 LEU A   8      12.090   4.202   6.350  1.00 19.31           H   new
ATOM      0 HD22 LEU A   8      11.142   3.461   5.039  1.00 19.31           H   new
ATOM      0 HD23 LEU A   8      12.262   4.797   4.682  1.00 19.31           H   new
ATOM    147  N   THR A   9       9.721   8.716   3.057  1.00 18.33           N
ATOM    148  CA  THR A   9      10.237  10.031   2.835  1.00 19.24           C
ATOM    149  C   THR A   9       9.249  11.093   3.174  1.00 19.48           C
ATOM    150  O   THR A   9       9.538  12.037   3.907  1.00 23.14           O
ATOM    151  CB  THR A   9      10.721  10.166   1.422  1.00 18.97           C
ATOM    152  OG1 THR A   9       9.800   9.639   0.479  1.00 20.24           O
ATOM    153  CG2 THR A   9      11.974   9.300   1.208  1.00 19.70           C
ATOM      0  H   THR A   9       9.449   8.247   2.193  1.00 18.33           H   new
ATOM      0  HA  THR A   9      11.082  10.172   3.509  1.00 19.24           H   new
ATOM      0  HB  THR A   9      10.885  11.234   1.277  1.00 18.97           H   new
ATOM      0  HG1 THR A   9      10.158   9.751  -0.426  1.00 20.24           H   new
ATOM      0 HG21 THR A   9      12.317   9.405   0.179  1.00 19.70           H   new
ATOM      0 HG22 THR A   9      12.761   9.625   1.888  1.00 19.70           H   new
ATOM      0 HG23 THR A   9      11.732   8.256   1.405  1.00 19.70           H   new
ATOM    161  N   GLY A  10       8.014  10.990   2.650  1.00 19.43           N
ATOM    162  CA  GLY A  10       6.849  11.674   3.120  1.00 18.74           C
ATOM    163  C   GLY A  10       5.955  12.338   2.130  1.00 17.62           C
ATOM    164  O   GLY A  10       5.443  13.448   2.268  1.00 19.74           O
ATOM      0  H   GLY A  10       7.818  10.391   1.848  1.00 19.43           H   new
ATOM      0  HA2 GLY A  10       6.248  10.956   3.677  1.00 18.74           H   new
ATOM      0  HA3 GLY A  10       7.177  12.434   3.830  1.00 18.74           H   new
ATOM    168  N   LYS A  11       5.797  11.607   1.012  1.00 13.56           N
ATOM    169  CA  LYS A  11       5.025  11.936  -0.146  1.00 11.91           C
ATOM    170  C   LYS A  11       3.692  11.270  -0.155  1.00 10.18           C
ATOM    171  O   LYS A  11       3.621  10.051  -0.007  1.00  9.10           O
ATOM    172  CB  LYS A  11       5.754  11.404  -1.391  1.00 13.43           C
ATOM    173  CG  LYS A  11       5.013  11.649  -2.707  1.00 16.69           C
ATOM    174  CD  LYS A  11       5.961  11.360  -3.873  1.00 17.92           C
ATOM    175  CE  LYS A  11       5.214  11.535  -5.197  1.00 20.81           C
ATOM    176  NZ  LYS A  11       6.047  11.041  -6.316  1.00 21.93           N
ATOM      0  H   LYS A  11       6.254  10.701   0.912  1.00 13.56           H   new
ATOM      0  HA  LYS A  11       4.899  13.019  -0.140  1.00 11.91           H   new
ATOM      0  HB2 LYS A  11       6.737  11.871  -1.449  1.00 13.43           H   new
ATOM      0  HB3 LYS A  11       5.916  10.333  -1.273  1.00 13.43           H   new
ATOM      0  HG2 LYS A  11       4.134  11.008  -2.769  1.00 16.69           H   new
ATOM      0  HG3 LYS A  11       4.661  12.679  -2.755  1.00 16.69           H   new
ATOM      0  HD2 LYS A  11       6.817  12.034  -3.835  1.00 17.92           H   new
ATOM      0  HD3 LYS A  11       6.351  10.345  -3.795  1.00 17.92           H   new
ATOM      0  HE2 LYS A  11       4.270  10.990  -5.167  1.00 20.81           H   new
ATOM      0  HE3 LYS A  11       4.970  12.586  -5.351  1.00 20.81           H   new
ATOM      0  HZ1 LYS A  11       5.547  11.194  -7.215  1.00 21.93           H   new
ATOM      0  HZ2 LYS A  11       6.950  11.556  -6.330  1.00 21.93           H   new
ATOM      0  HZ3 LYS A  11       6.230  10.025  -6.190  1.00 21.93           H   new
ATOM    190  N   THR A  12       2.556  11.981  -0.277  1.00  9.63           N
ATOM    191  CA  THR A  12       1.230  11.448  -0.315  1.00  9.85           C
ATOM    192  C   THR A  12       0.891  10.987  -1.690  1.00 11.66           C
ATOM    193  O   THR A  12       0.538  11.806  -2.538  1.00 12.33           O
ATOM    194  CB  THR A  12       0.147  12.271   0.318  1.00 10.85           C
ATOM    195  OG1 THR A  12       0.441  12.828   1.590  1.00 10.91           O
ATOM    196  CG2 THR A  12      -0.920  11.222   0.673  1.00  9.63           C
ATOM      0  H   THR A  12       2.567  12.998  -0.354  1.00  9.63           H   new
ATOM      0  HA  THR A  12       1.261  10.587   0.353  1.00  9.85           H   new
ATOM      0  HB  THR A  12      -0.082  13.087  -0.368  1.00 10.85           H   new
ATOM      0  HG1 THR A  12      -0.330  13.344   1.907  1.00 10.91           H   new
ATOM      0 HG21 THR A  12      -1.770  11.713   1.147  1.00  9.63           H   new
ATOM      0 HG22 THR A  12      -1.252  10.719  -0.235  1.00  9.63           H   new
ATOM      0 HG23 THR A  12      -0.495  10.489   1.359  1.00  9.63           H   new
ATOM    204  N   ILE A  13       1.033   9.674  -1.946  1.00 10.42           N
ATOM    205  CA  ILE A  13       0.577   9.019  -3.133  1.00 11.84           C
ATOM    206  C   ILE A  13      -0.908   8.944  -3.032  1.00 10.55           C
ATOM    207  O   ILE A  13      -1.443   8.439  -2.046  1.00 11.92           O
ATOM    208  CB  ILE A  13       1.319   7.747  -3.416  1.00 14.86           C
ATOM    209  CG1 ILE A  13       2.770   8.124  -3.761  1.00 14.87           C
ATOM    210  CG2 ILE A  13       0.663   6.967  -4.568  1.00 17.08           C
ATOM    211  CD1 ILE A  13       3.787   7.000  -3.951  1.00 16.46           C
ATOM      0  H   ILE A  13       1.489   9.038  -1.292  1.00 10.42           H   new
ATOM      0  HA  ILE A  13       0.810   9.581  -4.037  1.00 11.84           H   new
ATOM      0  HB  ILE A  13       1.295   7.095  -2.543  1.00 14.86           H   new
ATOM      0 HG12 ILE A  13       2.751   8.713  -4.678  1.00 14.87           H   new
ATOM      0 HG13 ILE A  13       3.140   8.777  -2.971  1.00 14.87           H   new
ATOM      0 HG21 ILE A  13       1.222   6.049  -4.751  1.00 17.08           H   new
ATOM      0 HG22 ILE A  13      -0.364   6.719  -4.301  1.00 17.08           H   new
ATOM      0 HG23 ILE A  13       0.665   7.579  -5.470  1.00 17.08           H   new
ATOM      0 HD11 ILE A  13       4.761   7.427  -4.189  1.00 16.46           H   new
ATOM      0 HD12 ILE A  13       3.861   6.417  -3.033  1.00 16.46           H   new
ATOM      0 HD13 ILE A  13       3.466   6.353  -4.767  1.00 16.46           H   new
ATOM    223  N   THR A  14      -1.678   9.477  -3.997  1.00  9.39           N
ATOM    224  CA  THR A  14      -3.096   9.356  -4.138  1.00  9.63           C
ATOM    225  C   THR A  14      -3.456   8.342  -5.169  1.00 11.20           C
ATOM    226  O   THR A  14      -3.167   8.433  -6.361  1.00 11.63           O
ATOM    227  CB  THR A  14      -3.751  10.666  -4.459  1.00 10.38           C
ATOM    228  OG1 THR A  14      -3.287  11.200  -5.691  1.00 16.30           O
ATOM    229  CG2 THR A  14      -3.351  11.728  -3.421  1.00 11.66           C
ATOM      0  H   THR A  14      -1.271  10.042  -4.743  1.00  9.39           H   new
ATOM      0  HA  THR A  14      -3.471   9.023  -3.170  1.00  9.63           H   new
ATOM      0  HB  THR A  14      -4.822  10.464  -4.482  1.00 10.38           H   new
ATOM      0  HG1 THR A  14      -2.989  10.470  -6.273  1.00 16.30           H   new
ATOM      0 HG21 THR A  14      -3.833  12.675  -3.665  1.00 11.66           H   new
ATOM      0 HG22 THR A  14      -3.667  11.405  -2.429  1.00 11.66           H   new
ATOM      0 HG23 THR A  14      -2.269  11.858  -3.432  1.00 11.66           H   new
ATOM    237  N   LEU A  15      -4.022   7.214  -4.705  1.00  8.29           N
ATOM    238  CA  LEU A  15      -4.363   6.112  -5.550  1.00  9.03           C
ATOM    239  C   LEU A  15      -5.839   5.931  -5.452  1.00  8.59           C
ATOM    240  O   LEU A  15      -6.476   6.214  -4.438  1.00  7.79           O
ATOM    241  CB  LEU A  15      -3.788   4.751  -5.122  1.00 11.08           C
ATOM    242  CG  LEU A  15      -2.303   4.575  -5.481  1.00 15.79           C
ATOM    243  CD1 LEU A  15      -1.657   3.312  -4.888  1.00 15.27           C
ATOM    244  CD2 LEU A  15      -1.993   4.735  -6.979  1.00 15.88           C
ATOM      0  H   LEU A  15      -4.248   7.064  -3.722  1.00  8.29           H   new
ATOM      0  HA  LEU A  15      -3.965   6.360  -6.534  1.00  9.03           H   new
ATOM      0  HB2 LEU A  15      -3.910   4.636  -4.045  1.00 11.08           H   new
ATOM      0  HB3 LEU A  15      -4.365   3.956  -5.595  1.00 11.08           H   new
ATOM      0  HG  LEU A  15      -1.822   5.418  -4.985  1.00 15.79           H   new
ATOM      0 HD11 LEU A  15      -0.610   3.263  -5.189  1.00 15.27           H   new
ATOM      0 HD12 LEU A  15      -1.721   3.347  -3.800  1.00 15.27           H   new
ATOM      0 HD13 LEU A  15      -2.181   2.429  -5.254  1.00 15.27           H   new
ATOM      0 HD21 LEU A  15      -0.925   4.596  -7.146  1.00 15.88           H   new
ATOM      0 HD22 LEU A  15      -2.549   3.990  -7.547  1.00 15.88           H   new
ATOM      0 HD23 LEU A  15      -2.285   5.733  -7.306  1.00 15.88           H   new
ATOM    256  N   GLU A  16      -6.495   5.558  -6.565  1.00 11.04           N
ATOM    257  CA  GLU A  16      -7.859   5.145  -6.683  1.00 11.50           C
ATOM    258  C   GLU A  16      -7.845   3.686  -6.985  1.00 10.13           C
ATOM    259  O   GLU A  16      -7.214   3.306  -7.970  1.00  9.83           O
ATOM    260  CB  GLU A  16      -8.595   5.892  -7.808  1.00 17.22           C
ATOM    261  CG  GLU A  16      -8.372   7.406  -7.815  1.00 23.33           C
ATOM    262  CD  GLU A  16      -8.676   7.902  -9.222  1.00 26.99           C
ATOM    263  OE1 GLU A  16      -9.884   8.092  -9.523  1.00 28.86           O
ATOM    264  OE2 GLU A  16      -7.743   8.016 -10.062  1.00 28.90           O
ATOM      0  H   GLU A  16      -6.022   5.545  -7.469  1.00 11.04           H   new
ATOM      0  HA  GLU A  16      -8.387   5.368  -5.756  1.00 11.50           H   new
ATOM      0  HB2 GLU A  16      -8.274   5.486  -8.767  1.00 17.22           H   new
ATOM      0  HB3 GLU A  16      -9.663   5.695  -7.720  1.00 17.22           H   new
ATOM      0  HG2 GLU A  16      -9.021   7.893  -7.087  1.00 23.33           H   new
ATOM      0  HG3 GLU A  16      -7.345   7.644  -7.537  1.00 23.33           H   new
ATOM    271  N   VAL A  17      -8.485   2.860  -6.138  1.00  8.99           N
ATOM    272  CA  VAL A  17      -8.523   1.442  -6.313  1.00  8.85           C
ATOM    273  C   VAL A  17      -9.897   0.906  -6.099  1.00  8.04           C
ATOM    274  O   VAL A  17     -10.819   1.612  -5.694  1.00  8.99           O
ATOM    275  CB  VAL A  17      -7.502   0.649  -5.551  1.00  9.78           C
ATOM    276  CG1 VAL A  17      -6.045   0.991  -5.905  1.00 12.05           C
ATOM    277  CG2 VAL A  17      -7.672   0.817  -4.032  1.00 10.54           C
ATOM      0  H   VAL A  17      -8.988   3.186  -5.312  1.00  8.99           H   new
ATOM      0  HA  VAL A  17      -8.234   1.302  -7.355  1.00  8.85           H   new
ATOM      0  HB  VAL A  17      -7.690  -0.382  -5.851  1.00  9.78           H   new
ATOM      0 HG11 VAL A  17      -5.372   0.374  -5.310  1.00 12.05           H   new
ATOM      0 HG12 VAL A  17      -5.873   0.799  -6.964  1.00 12.05           H   new
ATOM      0 HG13 VAL A  17      -5.856   2.043  -5.692  1.00 12.05           H   new
ATOM      0 HG21 VAL A  17      -6.915   0.228  -3.514  1.00 10.54           H   new
ATOM      0 HG22 VAL A  17      -7.558   1.868  -3.767  1.00 10.54           H   new
ATOM      0 HG23 VAL A  17      -8.664   0.474  -3.737  1.00 10.54           H   new
ATOM    287  N   GLU A  18     -10.144  -0.388  -6.368  1.00  7.29           N
ATOM    288  CA  GLU A  18     -11.384  -1.000  -6.005  1.00  7.08           C
ATOM    289  C   GLU A  18     -11.245  -2.015  -4.923  1.00  6.45           C
ATOM    290  O   GLU A  18     -10.134  -2.506  -4.726  1.00  5.28           O
ATOM    291  CB  GLU A  18     -12.012  -1.687  -7.230  1.00 10.28           C
ATOM    292  CG  GLU A  18     -12.218  -0.685  -8.367  1.00 12.65           C
ATOM    293  CD  GLU A  18     -13.206  -1.191  -9.409  1.00 14.15           C
ATOM    294  OE1 GLU A  18     -12.917  -2.199 -10.108  1.00 18.17           O
ATOM    295  OE2 GLU A  18     -14.239  -0.497  -9.607  1.00 14.33           O
ATOM      0  H   GLU A  18      -9.486  -1.010  -6.837  1.00  7.29           H   new
ATOM      0  HA  GLU A  18     -12.019  -0.196  -5.633  1.00  7.08           H   new
ATOM      0  HB2 GLU A  18     -11.368  -2.499  -7.567  1.00 10.28           H   new
ATOM      0  HB3 GLU A  18     -12.968  -2.132  -6.953  1.00 10.28           H   new
ATOM      0  HG2 GLU A  18     -12.577   0.259  -7.956  1.00 12.65           H   new
ATOM      0  HG3 GLU A  18     -11.261  -0.480  -8.846  1.00 12.65           H   new
ATOM    302  N   PRO A  19     -12.202  -2.458  -4.164  1.00  7.24           N
ATOM    303  CA  PRO A  19     -11.871  -3.129  -2.940  1.00  7.07           C
ATOM    304  C   PRO A  19     -11.610  -4.593  -3.031  1.00  6.65           C
ATOM    305  O   PRO A  19     -11.280  -5.289  -2.072  1.00  6.37           O
ATOM    306  CB  PRO A  19     -13.045  -2.880  -1.995  1.00  7.61           C
ATOM    307  CG  PRO A  19     -14.200  -2.675  -2.988  1.00  8.16           C
ATOM    308  CD  PRO A  19     -13.593  -2.036  -4.247  1.00  7.49           C
ATOM      0  HA  PRO A  19     -10.919  -2.723  -2.598  1.00  7.07           H   new
ATOM      0  HB2 PRO A  19     -13.222  -3.725  -1.329  1.00  7.61           H   new
ATOM      0  HB3 PRO A  19     -12.886  -2.005  -1.365  1.00  7.61           H   new
ATOM      0  HG2 PRO A  19     -14.677  -3.625  -3.228  1.00  8.16           H   new
ATOM      0  HG3 PRO A  19     -14.969  -2.032  -2.560  1.00  8.16           H   new
ATOM      0  HD2 PRO A  19     -14.074  -2.394  -5.158  1.00  7.49           H   new
ATOM      0  HD3 PRO A  19     -13.691  -0.950  -4.240  1.00  7.49           H   new
ATOM    316  N   SER A  20     -11.653  -5.085  -4.282  1.00  6.80           N
ATOM    317  CA  SER A  20     -11.212  -6.372  -4.722  1.00  6.28           C
ATOM    318  C   SER A  20      -9.801  -6.285  -5.194  1.00  8.45           C
ATOM    319  O   SER A  20      -9.290  -7.292  -5.682  1.00  7.26           O
ATOM    320  CB  SER A  20     -12.034  -7.056  -5.828  1.00  8.57           C
ATOM    321  OG  SER A  20     -13.423  -7.003  -5.540  1.00 11.13           O
ATOM      0  H   SER A  20     -12.030  -4.532  -5.052  1.00  6.80           H   new
ATOM      0  HA  SER A  20     -11.338  -6.996  -3.838  1.00  6.28           H   new
ATOM      0  HB2 SER A  20     -11.839  -6.570  -6.784  1.00  8.57           H   new
ATOM      0  HB3 SER A  20     -11.720  -8.095  -5.929  1.00  8.57           H   new
ATOM      0  HG  SER A  20     -13.923  -7.443  -6.259  1.00 11.13           H   new
ATOM    327  N   ASP A  21      -9.059  -5.167  -5.105  1.00  7.50           N
ATOM    328  CA  ASP A  21      -7.632  -5.178  -5.200  1.00  7.70           C
ATOM    329  C   ASP A  21      -6.877  -5.775  -4.063  1.00  7.08           C
ATOM    330  O   ASP A  21      -7.096  -5.479  -2.889  1.00  8.11           O
ATOM    331  CB  ASP A  21      -7.161  -3.747  -5.506  1.00 11.00           C
ATOM    332  CG  ASP A  21      -7.437  -3.361  -6.953  1.00 15.32           C
ATOM    333  OD1 ASP A  21      -6.834  -4.054  -7.815  1.00 14.36           O
ATOM    334  OD2 ASP A  21      -8.330  -2.538  -7.288  1.00 18.03           O
ATOM      0  H   ASP A  21      -9.457  -4.238  -4.965  1.00  7.50           H   new
ATOM      0  HA  ASP A  21      -7.395  -5.868  -6.010  1.00  7.70           H   new
ATOM      0  HB2 ASP A  21      -7.666  -3.047  -4.840  1.00 11.00           H   new
ATOM      0  HB3 ASP A  21      -6.093  -3.664  -5.305  1.00 11.00           H   new
ATOM    339  N   THR A  22      -5.905  -6.673  -4.303  1.00  5.37           N
ATOM    340  CA  THR A  22      -5.019  -7.240  -3.334  1.00  6.01           C
ATOM    341  C   THR A  22      -3.951  -6.317  -2.857  1.00  8.01           C
ATOM    342  O   THR A  22      -3.723  -5.290  -3.495  1.00  8.11           O
ATOM    343  CB  THR A  22      -4.435  -8.560  -3.743  1.00  8.92           C
ATOM    344  OG1 THR A  22      -3.535  -8.484  -4.839  1.00 10.22           O
ATOM    345  CG2 THR A  22      -5.564  -9.448  -4.294  1.00  9.65           C
ATOM      0  H   THR A  22      -5.726  -7.028  -5.243  1.00  5.37           H   new
ATOM      0  HA  THR A  22      -5.676  -7.424  -2.484  1.00  6.01           H   new
ATOM      0  HB  THR A  22      -3.927  -8.930  -2.853  1.00  8.92           H   new
ATOM      0  HG1 THR A  22      -3.195  -9.380  -5.046  1.00 10.22           H   new
ATOM      0 HG21 THR A  22      -5.154 -10.412  -4.596  1.00  9.65           H   new
ATOM      0 HG22 THR A  22      -6.318  -9.600  -3.521  1.00  9.65           H   new
ATOM      0 HG23 THR A  22      -6.021  -8.962  -5.156  1.00  9.65           H   new
ATOM    353  N   ILE A  23      -3.363  -6.588  -1.678  1.00  8.32           N
ATOM    354  CA  ILE A  23      -2.306  -5.772  -1.165  1.00  9.92           C
ATOM    355  C   ILE A  23      -1.157  -5.681  -2.109  1.00 10.01           C
ATOM    356  O   ILE A  23      -0.594  -4.601  -2.277  1.00  8.71           O
ATOM    357  CB  ILE A  23      -1.843  -6.265   0.174  1.00 10.78           C
ATOM    358  CG1 ILE A  23      -2.986  -6.078   1.186  1.00 11.38           C
ATOM    359  CG2 ILE A  23      -0.589  -5.518   0.658  1.00 10.90           C
ATOM    360  CD1 ILE A  23      -3.426  -4.615   1.191  1.00 12.30           C
ATOM      0  H   ILE A  23      -3.620  -7.373  -1.079  1.00  8.32           H   new
ATOM      0  HA  ILE A  23      -2.714  -4.768  -1.046  1.00  9.92           H   new
ATOM      0  HB  ILE A  23      -1.577  -7.318   0.084  1.00 10.78           H   new
ATOM      0 HG12 ILE A  23      -3.826  -6.721   0.925  1.00 11.38           H   new
ATOM      0 HG13 ILE A  23      -2.656  -6.373   2.182  1.00 11.38           H   new
ATOM      0 HG21 ILE A  23      -0.287  -5.906   1.631  1.00 10.90           H   new
ATOM      0 HG22 ILE A  23       0.220  -5.664  -0.058  1.00 10.90           H   new
ATOM      0 HG23 ILE A  23      -0.810  -4.454   0.744  1.00 10.90           H   new
ATOM      0 HD11 ILE A  23      -4.236  -4.481   1.908  1.00 12.30           H   new
ATOM      0 HD12 ILE A  23      -2.584  -3.983   1.473  1.00 12.30           H   new
ATOM      0 HD13 ILE A  23      -3.772  -4.336   0.196  1.00 12.30           H   new
ATOM    372  N   GLU A  24      -0.996  -6.749  -2.910  1.00  9.54           N
ATOM    373  CA  GLU A  24      -0.037  -6.866  -3.965  1.00 11.81           C
ATOM    374  C   GLU A  24      -0.172  -5.755  -4.949  1.00 11.14           C
ATOM    375  O   GLU A  24       0.755  -5.123  -5.453  1.00 10.62           O
ATOM    376  CB  GLU A  24       0.052  -8.225  -4.678  1.00 19.24           C
ATOM    377  CG  GLU A  24       0.549  -9.450  -3.907  1.00 27.76           C
ATOM    378  CD  GLU A  24       1.051 -10.555  -4.825  1.00 32.92           C
ATOM    379  OE1 GLU A  24       0.141 -11.281  -5.306  1.00 34.80           O
ATOM    380  OE2 GLU A  24       2.283 -10.762  -4.993  1.00 36.51           O
ATOM      0  H   GLU A  24      -1.573  -7.585  -2.814  1.00  9.54           H   new
ATOM      0  HA  GLU A  24       0.916  -6.789  -3.441  1.00 11.81           H   new
ATOM      0  HB2 GLU A  24      -0.942  -8.460  -5.058  1.00 19.24           H   new
ATOM      0  HB3 GLU A  24       0.703  -8.098  -5.543  1.00 19.24           H   new
ATOM      0  HG2 GLU A  24       1.352  -9.150  -3.233  1.00 27.76           H   new
ATOM      0  HG3 GLU A  24      -0.260  -9.837  -3.287  1.00 27.76           H   new
ATOM    387  N   ASN A  25      -1.426  -5.479  -5.352  1.00  9.43           N
ATOM    388  CA  ASN A  25      -1.778  -4.535  -6.366  1.00 10.96           C
ATOM    389  C   ASN A  25      -1.412  -3.139  -5.994  1.00  9.68           C
ATOM    390  O   ASN A  25      -0.835  -2.334  -6.722  1.00  9.33           O
ATOM    391  CB  ASN A  25      -3.255  -4.600  -6.791  1.00 16.78           C
ATOM    392  CG  ASN A  25      -3.671  -5.999  -7.225  1.00 22.31           C
ATOM    393  OD1 ASN A  25      -5.011  -6.211  -7.133  1.00 25.66           O   flip
ATOM    394  ND2 ASN A  25      -2.918  -6.868  -7.661  1.00 24.70           N   flip
ATOM      0  H   ASN A  25      -2.239  -5.942  -4.946  1.00  9.43           H   new
ATOM      0  HA  ASN A  25      -1.185  -4.832  -7.231  1.00 10.96           H   new
ATOM      0  HB2 ASN A  25      -3.884  -4.277  -5.961  1.00 16.78           H   new
ATOM      0  HB3 ASN A  25      -3.426  -3.902  -7.611  1.00 16.78           H   new
ATOM      0 HD21 ASN A  25      -1.915  -6.690  -7.722  1.00 24.70           H   new
ATOM      0 HD22 ASN A  25      -3.296  -7.767  -7.961  1.00 24.70           H   new
ATOM    401  N   VAL A  26      -1.738  -2.795  -4.735  1.00  6.52           N
ATOM    402  CA  VAL A  26      -1.366  -1.551  -4.135  1.00  5.53           C
ATOM    403  C   VAL A  26       0.101  -1.294  -4.109  1.00  4.42           C
ATOM    404  O   VAL A  26       0.549  -0.224  -4.518  1.00  3.40           O
ATOM    405  CB  VAL A  26      -1.951  -1.380  -2.765  1.00  3.86           C
ATOM    406  CG1 VAL A  26      -1.640   0.025  -2.222  1.00  7.25           C
ATOM    407  CG2 VAL A  26      -3.457  -1.692  -2.770  1.00  8.12           C
ATOM      0  H   VAL A  26      -2.277  -3.401  -4.116  1.00  6.52           H   new
ATOM      0  HA  VAL A  26      -1.798  -0.799  -4.795  1.00  5.53           H   new
ATOM      0  HB  VAL A  26      -1.486  -2.097  -2.088  1.00  3.86           H   new
ATOM      0 HG11 VAL A  26      -2.071   0.134  -1.227  1.00  7.25           H   new
ATOM      0 HG12 VAL A  26      -0.560   0.163  -2.167  1.00  7.25           H   new
ATOM      0 HG13 VAL A  26      -2.068   0.775  -2.887  1.00  7.25           H   new
ATOM      0 HG21 VAL A  26      -3.859  -1.561  -1.765  1.00  8.12           H   new
ATOM      0 HG22 VAL A  26      -3.967  -1.015  -3.456  1.00  8.12           H   new
ATOM      0 HG23 VAL A  26      -3.614  -2.721  -3.092  1.00  8.12           H   new
ATOM    417  N   LYS A  27       0.922  -2.291  -3.733  1.00  2.64           N
ATOM    418  CA  LYS A  27       2.338  -2.328  -3.933  1.00  4.14           C
ATOM    419  C   LYS A  27       2.879  -2.270  -5.320  1.00  5.58           C
ATOM    420  O   LYS A  27       3.903  -1.668  -5.638  1.00  4.11           O
ATOM    421  CB  LYS A  27       2.938  -3.512  -3.155  1.00  3.97           C
ATOM    422  CG  LYS A  27       2.869  -3.652  -1.633  1.00  7.45           C
ATOM    423  CD  LYS A  27       3.780  -4.720  -1.025  1.00  9.02           C
ATOM    424  CE  LYS A  27       3.571  -6.157  -1.510  1.00 12.90           C
ATOM    425  NZ  LYS A  27       4.538  -7.130  -0.954  1.00 15.47           N
ATOM      0  H   LYS A  27       0.574  -3.124  -3.259  1.00  2.64           H   new
ATOM      0  HA  LYS A  27       2.662  -1.363  -3.542  1.00  4.14           H   new
ATOM      0  HB2 LYS A  27       2.479  -4.411  -3.566  1.00  3.97           H   new
ATOM      0  HB3 LYS A  27       3.995  -3.545  -3.417  1.00  3.97           H   new
ATOM      0  HG2 LYS A  27       3.119  -2.690  -1.186  1.00  7.45           H   new
ATOM      0  HG3 LYS A  27       1.840  -3.876  -1.353  1.00  7.45           H   new
ATOM      0  HD2 LYS A  27       4.814  -4.440  -1.226  1.00  9.02           H   new
ATOM      0  HD3 LYS A  27       3.649  -4.703   0.057  1.00  9.02           H   new
ATOM      0  HE2 LYS A  27       2.562  -6.474  -1.248  1.00 12.90           H   new
ATOM      0  HE3 LYS A  27       3.639  -6.175  -2.598  1.00 12.90           H   new
ATOM      0  HZ1 LYS A  27       4.331  -8.078  -1.329  1.00 15.47           H   new
ATOM      0  HZ2 LYS A  27       5.503  -6.854  -1.225  1.00 15.47           H   new
ATOM      0  HZ3 LYS A  27       4.460  -7.143   0.083  1.00 15.47           H   new
ATOM    439  N   ALA A  28       2.178  -2.817  -6.329  1.00  6.61           N
ATOM    440  CA  ALA A  28       2.480  -2.797  -7.727  1.00  7.74           C
ATOM    441  C   ALA A  28       2.414  -1.449  -8.358  1.00  9.17           C
ATOM    442  O   ALA A  28       3.297  -1.116  -9.147  1.00 11.45           O
ATOM    443  CB  ALA A  28       1.550  -3.743  -8.506  1.00  7.68           C
ATOM      0  H   ALA A  28       1.312  -3.324  -6.144  1.00  6.61           H   new
ATOM      0  HA  ALA A  28       3.516  -3.130  -7.784  1.00  7.74           H   new
ATOM      0  HB1 ALA A  28       1.801  -3.709  -9.566  1.00  7.68           H   new
ATOM      0  HB2 ALA A  28       1.674  -4.761  -8.137  1.00  7.68           H   new
ATOM      0  HB3 ALA A  28       0.515  -3.431  -8.368  1.00  7.68           H   new
ATOM    449  N   LYS A  29       1.353  -0.692  -8.027  1.00  8.96           N
ATOM    450  CA  LYS A  29       1.280   0.691  -8.381  1.00  7.90           C
ATOM    451  C   LYS A  29       2.234   1.666  -7.780  1.00  6.92           C
ATOM    452  O   LYS A  29       2.577   2.721  -8.310  1.00  6.87           O
ATOM    453  CB  LYS A  29      -0.104   1.218  -7.964  1.00 10.28           C
ATOM    454  CG  LYS A  29      -1.185   0.696  -8.913  1.00 14.94           C
ATOM    455  CD  LYS A  29      -2.581   0.690  -8.286  1.00 19.69           C
ATOM    456  CE  LYS A  29      -3.542  -0.307  -8.937  1.00 22.63           C
ATOM    457  NZ  LYS A  29      -3.732  -0.120 -10.393  1.00 24.98           N
ATOM      0  H   LYS A  29       0.543  -1.039  -7.513  1.00  8.96           H   new
ATOM      0  HA  LYS A  29       1.520   0.657  -9.444  1.00  7.90           H   new
ATOM      0  HB2 LYS A  29      -0.326   0.906  -6.944  1.00 10.28           H   new
ATOM      0  HB3 LYS A  29      -0.102   2.308  -7.970  1.00 10.28           H   new
ATOM      0  HG2 LYS A  29      -1.199   1.312  -9.812  1.00 14.94           H   new
ATOM      0  HG3 LYS A  29      -0.929  -0.317  -9.225  1.00 14.94           H   new
ATOM      0  HD2 LYS A  29      -2.492   0.456  -7.225  1.00 19.69           H   new
ATOM      0  HD3 LYS A  29      -3.006   1.691  -8.357  1.00 19.69           H   new
ATOM      0  HE2 LYS A  29      -3.172  -1.317  -8.759  1.00 22.63           H   new
ATOM      0  HE3 LYS A  29      -4.512  -0.231  -8.445  1.00 22.63           H   new
ATOM      0  HZ1 LYS A  29      -4.396  -0.836 -10.751  1.00 24.98           H   new
ATOM      0  HZ2 LYS A  29      -4.115   0.830 -10.574  1.00 24.98           H   new
ATOM      0  HZ3 LYS A  29      -2.818  -0.222 -10.878  1.00 24.98           H   new
ATOM    471  N   ILE A  30       2.800   1.273  -6.625  1.00  4.57           N
ATOM    472  CA  ILE A  30       3.894   1.945  -5.997  1.00  5.58           C
ATOM    473  C   ILE A  30       5.186   1.695  -6.696  1.00  7.26           C
ATOM    474  O   ILE A  30       5.979   2.620  -6.864  1.00  9.46           O
ATOM    475  CB  ILE A  30       3.953   1.600  -4.538  1.00  5.36           C
ATOM    476  CG1 ILE A  30       2.662   2.064  -3.842  1.00  2.94           C
ATOM    477  CG2 ILE A  30       5.062   2.474  -3.928  1.00  2.78           C
ATOM    478  CD1 ILE A  30       2.434   1.420  -2.476  1.00  2.00           C
ATOM      0  H   ILE A  30       2.482   0.453  -6.108  1.00  4.57           H   new
ATOM      0  HA  ILE A  30       3.720   3.018  -6.076  1.00  5.58           H   new
ATOM      0  HB  ILE A  30       4.107   0.528  -4.418  1.00  5.36           H   new
ATOM      0 HG12 ILE A  30       2.694   3.147  -3.722  1.00  2.94           H   new
ATOM      0 HG13 ILE A  30       1.812   1.839  -4.486  1.00  2.94           H   new
ATOM      0 HG21 ILE A  30       5.148   2.262  -2.862  1.00  2.78           H   new
ATOM      0 HG22 ILE A  30       6.010   2.254  -4.419  1.00  2.78           H   new
ATOM      0 HG23 ILE A  30       4.815   3.526  -4.070  1.00  2.78           H   new
ATOM      0 HD11 ILE A  30       1.505   1.796  -2.047  1.00  2.00           H   new
ATOM      0 HD12 ILE A  30       2.369   0.338  -2.590  1.00  2.00           H   new
ATOM      0 HD13 ILE A  30       3.265   1.666  -1.815  1.00  2.00           H   new
ATOM    490  N   GLN A  31       5.485   0.463  -7.146  1.00  7.06           N
ATOM    491  CA  GLN A  31       6.545   0.116  -8.042  1.00  8.67           C
ATOM    492  C   GLN A  31       6.561   0.899  -9.309  1.00 10.90           C
ATOM    493  O   GLN A  31       7.491   1.670  -9.542  1.00  9.63           O
ATOM    494  CB  GLN A  31       6.648  -1.370  -8.423  1.00  9.12           C
ATOM    495  CG  GLN A  31       7.770  -1.767  -9.386  1.00 10.76           C
ATOM    496  CD  GLN A  31       7.757  -3.267  -9.641  1.00 13.78           C
ATOM    497  OE1 GLN A  31       8.627  -4.083  -9.341  1.00 14.48           O
ATOM    498  NE2 GLN A  31       6.727  -3.678 -10.428  1.00 14.76           N
ATOM      0  H   GLN A  31       4.943  -0.353  -6.861  1.00  7.06           H   new
ATOM      0  HA  GLN A  31       7.408   0.374  -7.428  1.00  8.67           H   new
ATOM      0  HB2 GLN A  31       6.769  -1.947  -7.506  1.00  9.12           H   new
ATOM      0  HB3 GLN A  31       5.699  -1.672  -8.866  1.00  9.12           H   new
ATOM      0  HG2 GLN A  31       7.653  -1.232 -10.329  1.00 10.76           H   new
ATOM      0  HG3 GLN A  31       8.734  -1.472  -8.970  1.00 10.76           H   new
ATOM      0 HE21 GLN A  31       5.993  -3.021 -10.691  1.00 14.76           H   new
ATOM      0 HE22 GLN A  31       6.689  -4.643 -10.755  1.00 14.76           H   new
ATOM    507  N   ASP A  32       5.514   0.878 -10.152  1.00 10.93           N
ATOM    508  CA  ASP A  32       5.283   1.854 -11.172  1.00 14.01           C
ATOM    509  C   ASP A  32       5.492   3.296 -10.862  1.00 14.04           C
ATOM    510  O   ASP A  32       6.013   4.042 -11.691  1.00 13.39           O
ATOM    511  CB  ASP A  32       3.870   1.478 -11.648  1.00 18.01           C
ATOM    512  CG  ASP A  32       3.269   2.528 -12.572  1.00 24.33           C
ATOM    513  OD1 ASP A  32       2.727   3.550 -12.072  1.00 26.29           O
ATOM    514  OD2 ASP A  32       3.306   2.316 -13.813  1.00 25.17           O
ATOM      0  H   ASP A  32       4.799   0.151 -10.122  1.00 10.93           H   new
ATOM      0  HA  ASP A  32       6.056   1.802 -11.938  1.00 14.01           H   new
ATOM      0  HB2 ASP A  32       3.908   0.520 -12.167  1.00 18.01           H   new
ATOM      0  HB3 ASP A  32       3.221   1.346 -10.782  1.00 18.01           H   new
ATOM    519  N   LYS A  33       5.019   3.802  -9.710  1.00 14.22           N
ATOM    520  CA  LYS A  33       5.047   5.196  -9.394  1.00 14.00           C
ATOM    521  C   LYS A  33       6.421   5.609  -8.990  1.00 12.37           C
ATOM    522  O   LYS A  33       6.933   6.629  -9.449  1.00 12.17           O
ATOM    523  CB  LYS A  33       3.948   5.443  -8.347  1.00 18.62           C
ATOM    524  CG  LYS A  33       3.685   6.903  -7.975  1.00 24.00           C
ATOM    525  CD  LYS A  33       3.202   7.756  -9.150  1.00 27.61           C
ATOM    526  CE  LYS A  33       1.780   7.408  -9.595  1.00 27.64           C
ATOM    527  NZ  LYS A  33       1.658   8.220 -10.826  1.00 30.06           N
ATOM      0  H   LYS A  33       4.605   3.225  -8.977  1.00 14.22           H   new
ATOM      0  HA  LYS A  33       4.826   5.828 -10.254  1.00 14.00           H   new
ATOM      0  HB2 LYS A  33       3.018   5.011  -8.718  1.00 18.62           H   new
ATOM      0  HB3 LYS A  33       4.212   4.900  -7.439  1.00 18.62           H   new
ATOM      0  HG2 LYS A  33       2.940   6.938  -7.180  1.00 24.00           H   new
ATOM      0  HG3 LYS A  33       4.600   7.338  -7.573  1.00 24.00           H   new
ATOM      0  HD2 LYS A  33       3.242   8.808  -8.869  1.00 27.61           H   new
ATOM      0  HD3 LYS A  33       3.883   7.625  -9.991  1.00 27.61           H   new
ATOM      0  HE2 LYS A  33       1.659   6.343  -9.791  1.00 27.64           H   new
ATOM      0  HE3 LYS A  33       1.036   7.681  -8.847  1.00 27.64           H   new
ATOM      0  HZ1 LYS A  33       0.717   8.077 -11.244  1.00 30.06           H   new
ATOM      0  HZ2 LYS A  33       1.784   9.226 -10.592  1.00 30.06           H   new
ATOM      0  HZ3 LYS A  33       2.388   7.929 -11.508  1.00 30.06           H   new
ATOM    541  N   GLU A  34       7.074   4.877  -8.069  1.00 10.11           N
ATOM    542  CA  GLU A  34       8.191   5.368  -7.325  1.00 10.07           C
ATOM    543  C   GLU A  34       9.496   4.700  -7.593  1.00  9.32           C
ATOM    544  O   GLU A  34      10.520   5.248  -7.190  1.00 11.61           O
ATOM    545  CB  GLU A  34       7.976   5.180  -5.813  1.00 14.77           C
ATOM    546  CG  GLU A  34       6.833   6.081  -5.340  1.00 18.75           C
ATOM    547  CD  GLU A  34       7.039   7.587  -5.410  1.00 22.28           C
ATOM    548  OE1 GLU A  34       7.955   8.113  -4.723  1.00 21.95           O
ATOM    549  OE2 GLU A  34       6.396   8.287  -6.237  1.00 25.19           O
ATOM      0  H   GLU A  34       6.818   3.918  -7.836  1.00 10.11           H   new
ATOM      0  HA  GLU A  34       8.243   6.408  -7.646  1.00 10.07           H   new
ATOM      0  HB2 GLU A  34       7.744   4.137  -5.595  1.00 14.77           H   new
ATOM      0  HB3 GLU A  34       8.891   5.423  -5.273  1.00 14.77           H   new
ATOM      0  HG2 GLU A  34       5.949   5.837  -5.929  1.00 18.75           H   new
ATOM      0  HG3 GLU A  34       6.609   5.822  -4.305  1.00 18.75           H   new
ATOM    556  N   GLY A  35       9.488   3.500  -8.200  1.00  7.22           N
ATOM    557  CA  GLY A  35      10.656   2.732  -8.502  1.00  6.29           C
ATOM    558  C   GLY A  35      11.105   1.815  -7.417  1.00  6.93           C
ATOM    559  O   GLY A  35      12.288   1.497  -7.301  1.00  7.41           O
ATOM      0  H   GLY A  35       8.625   3.043  -8.494  1.00  7.22           H   new
ATOM      0  HA2 GLY A  35      10.463   2.143  -9.398  1.00  6.29           H   new
ATOM      0  HA3 GLY A  35      11.471   3.416  -8.739  1.00  6.29           H   new
ATOM    563  N   ILE A  36      10.213   1.292  -6.557  1.00  5.86           N
ATOM    564  CA  ILE A  36      10.445   0.611  -5.321  1.00  6.07           C
ATOM    565  C   ILE A  36      10.087  -0.827  -5.468  1.00  6.36           C
ATOM    566  O   ILE A  36       8.910  -1.032  -5.762  1.00  6.18           O
ATOM    567  CB  ILE A  36       9.791   1.232  -4.122  1.00  7.47           C
ATOM    568  CG1 ILE A  36      10.076   2.730  -3.922  1.00  8.52           C
ATOM    569  CG2 ILE A  36      10.370   0.444  -2.935  1.00  7.36           C
ATOM    570  CD1 ILE A  36       9.166   3.431  -2.915  1.00  9.49           C
ATOM      0  H   ILE A  36       9.214   1.356  -6.754  1.00  5.86           H   new
ATOM      0  HA  ILE A  36      11.511   0.707  -5.113  1.00  6.07           H   new
ATOM      0  HB  ILE A  36       8.708   1.180  -4.233  1.00  7.47           H   new
ATOM      0 HG12 ILE A  36      11.110   2.848  -3.598  1.00  8.52           H   new
ATOM      0 HG13 ILE A  36       9.984   3.234  -4.884  1.00  8.52           H   new
ATOM      0 HG21 ILE A  36       9.950   0.826  -2.005  1.00  7.36           H   new
ATOM      0 HG22 ILE A  36      10.117  -0.611  -3.041  1.00  7.36           H   new
ATOM      0 HG23 ILE A  36      11.454   0.558  -2.917  1.00  7.36           H   new
ATOM      0 HD11 ILE A  36       9.444   4.482  -2.843  1.00  9.49           H   new
ATOM      0 HD12 ILE A  36       8.130   3.352  -3.244  1.00  9.49           H   new
ATOM      0 HD13 ILE A  36       9.273   2.960  -1.938  1.00  9.49           H   new
ATOM    582  N   PRO A  37      10.928  -1.814  -5.373  1.00  8.65           N
ATOM    583  CA  PRO A  37      10.485  -3.170  -5.527  1.00  9.18           C
ATOM    584  C   PRO A  37       9.500  -3.782  -4.592  1.00  9.85           C
ATOM    585  O   PRO A  37       9.590  -3.482  -3.402  1.00  8.51           O
ATOM    586  CB  PRO A  37      11.833  -3.872  -5.381  1.00 11.42           C
ATOM    587  CG  PRO A  37      12.837  -2.940  -6.079  1.00  9.27           C
ATOM    588  CD  PRO A  37      12.344  -1.567  -5.597  1.00  8.33           C
ATOM      0  HA  PRO A  37       9.900  -3.252  -6.443  1.00  9.18           H   new
ATOM      0  HB2 PRO A  37      12.092  -4.018  -4.332  1.00 11.42           H   new
ATOM      0  HB3 PRO A  37      11.818  -4.858  -5.846  1.00 11.42           H   new
ATOM      0  HG2 PRO A  37      13.865  -3.139  -5.776  1.00  9.27           H   new
ATOM      0  HG3 PRO A  37      12.801  -3.034  -7.164  1.00  9.27           H   new
ATOM      0  HD2 PRO A  37      12.851  -1.248  -4.686  1.00  8.33           H   new
ATOM      0  HD3 PRO A  37      12.509  -0.790  -6.343  1.00  8.33           H   new
ATOM    596  N   PRO A  38       8.536  -4.601  -4.889  1.00  8.71           N
ATOM    597  CA  PRO A  38       7.421  -4.868  -4.028  1.00  9.08           C
ATOM    598  C   PRO A  38       7.676  -5.738  -2.845  1.00  9.28           C
ATOM    599  O   PRO A  38       6.834  -5.972  -1.981  1.00  6.50           O
ATOM    600  CB  PRO A  38       6.344  -5.493  -4.911  1.00 10.31           C
ATOM    601  CG  PRO A  38       6.636  -5.017  -6.343  1.00 10.81           C
ATOM    602  CD  PRO A  38       8.167  -4.897  -6.266  1.00 12.00           C
ATOM      0  HA  PRO A  38       7.135  -3.919  -3.575  1.00  9.08           H   new
ATOM      0  HB2 PRO A  38       6.372  -6.581  -4.849  1.00 10.31           H   new
ATOM      0  HB3 PRO A  38       5.349  -5.181  -4.592  1.00 10.31           H   new
ATOM      0  HG2 PRO A  38       6.310  -5.734  -7.097  1.00 10.81           H   new
ATOM      0  HG3 PRO A  38       6.153  -4.068  -6.575  1.00 10.81           H   new
ATOM      0  HD2 PRO A  38       8.637  -5.824  -6.594  1.00 12.00           H   new
ATOM      0  HD3 PRO A  38       8.520  -4.109  -6.931  1.00 12.00           H   new
ATOM    610  N   ASP A  39       8.898  -6.290  -2.732  1.00 11.20           N
ATOM    611  CA  ASP A  39       9.278  -7.098  -1.615  1.00 14.96           C
ATOM    612  C   ASP A  39      10.018  -6.269  -0.622  1.00 13.99           C
ATOM    613  O   ASP A  39      10.018  -6.676   0.539  1.00 13.75           O
ATOM    614  CB  ASP A  39      10.055  -8.275  -2.228  1.00 24.16           C
ATOM    615  CG  ASP A  39      11.343  -7.722  -2.821  1.00 31.06           C
ATOM    616  OD1 ASP A  39      11.262  -6.900  -3.773  1.00 35.55           O
ATOM    617  OD2 ASP A  39      12.411  -8.246  -2.404  1.00 34.22           O
ATOM      0  H   ASP A  39       9.634  -6.173  -3.428  1.00 11.20           H   new
ATOM      0  HA  ASP A  39       8.447  -7.500  -1.035  1.00 14.96           H   new
ATOM      0  HB2 ASP A  39      10.275  -9.025  -1.468  1.00 24.16           H   new
ATOM      0  HB3 ASP A  39       9.460  -8.766  -2.998  1.00 24.16           H   new
ATOM    622  N   GLN A  40      10.571  -5.134  -1.084  1.00 11.60           N
ATOM    623  CA  GLN A  40      11.079  -4.189  -0.138  1.00 10.76           C
ATOM    624  C   GLN A  40       9.968  -3.543   0.616  1.00  8.01           C
ATOM    625  O   GLN A  40      10.113  -3.160   1.775  1.00  8.96           O
ATOM    626  CB  GLN A  40      12.048  -3.136  -0.701  1.00 11.14           C
ATOM    627  CG  GLN A  40      13.272  -3.747  -1.387  1.00 14.85           C
ATOM    628  CD  GLN A  40      13.929  -2.640  -2.199  1.00 16.11           C
ATOM    629  OE1 GLN A  40      13.353  -1.563  -2.346  1.00 20.52           O
ATOM    630  NE2 GLN A  40      15.189  -2.916  -2.630  1.00 18.16           N
ATOM      0  H   GLN A  40      10.665  -4.876  -2.066  1.00 11.60           H   new
ATOM      0  HA  GLN A  40      11.691  -4.784   0.540  1.00 10.76           H   new
ATOM      0  HB2 GLN A  40      11.516  -2.507  -1.415  1.00 11.14           H   new
ATOM      0  HB3 GLN A  40      12.380  -2.487   0.110  1.00 11.14           H   new
ATOM      0  HG2 GLN A  40      13.967  -4.148  -0.649  1.00 14.85           H   new
ATOM      0  HG3 GLN A  40      12.979  -4.575  -2.032  1.00 14.85           H   new
ATOM      0 HE21 GLN A  40      15.593  -3.838  -2.467  1.00 18.16           H   new
ATOM      0 HE22 GLN A  40      15.730  -2.201  -3.117  1.00 18.16           H   new
ATOM    639  N   GLN A  41       8.885  -3.198  -0.103  1.00  6.52           N
ATOM    640  CA  GLN A  41       7.685  -2.665   0.462  1.00  3.87           C
ATOM    641  C   GLN A  41       6.998  -3.558   1.437  1.00  4.79           C
ATOM    642  O   GLN A  41       6.815  -4.733   1.122  1.00  6.34           O
ATOM    643  CB  GLN A  41       6.726  -2.365  -0.702  1.00  4.20           C
ATOM    644  CG  GLN A  41       7.319  -1.452  -1.777  1.00  3.20           C
ATOM    645  CD  GLN A  41       6.177  -1.059  -2.703  1.00  4.89           C
ATOM    646  OE1 GLN A  41       5.091  -0.611  -2.339  1.00  5.21           O
ATOM    647  NE2 GLN A  41       6.461  -1.202  -4.025  1.00  7.13           N
ATOM      0  H   GLN A  41       8.844  -3.294  -1.118  1.00  6.52           H   new
ATOM      0  HA  GLN A  41       7.965  -1.778   1.030  1.00  3.87           H   new
ATOM      0  HB2 GLN A  41       6.426  -3.306  -1.164  1.00  4.20           H   new
ATOM      0  HB3 GLN A  41       5.822  -1.902  -0.305  1.00  4.20           H   new
ATOM      0  HG2 GLN A  41       7.772  -0.569  -1.327  1.00  3.20           H   new
ATOM      0  HG3 GLN A  41       8.105  -1.967  -2.330  1.00  3.20           H   new
ATOM      0 HE21 GLN A  41       7.365  -1.575  -4.315  1.00  7.13           H   new
ATOM      0 HE22 GLN A  41       5.770  -0.937  -4.727  1.00  7.13           H   new
ATOM    656  N   ARG A  42       6.444  -2.967   2.510  1.00  5.73           N
ATOM    657  CA  ARG A  42       5.299  -3.382   3.259  1.00  6.97           C
ATOM    658  C   ARG A  42       4.498  -2.131   3.386  1.00  7.15           C
ATOM    659  O   ARG A  42       4.960  -0.992   3.371  1.00  7.33           O
ATOM    660  CB  ARG A  42       5.795  -4.052   4.551  1.00 13.23           C
ATOM    661  CG  ARG A  42       6.618  -5.320   4.315  1.00 21.27           C
ATOM    662  CD  ARG A  42       6.826  -6.109   5.609  1.00 26.14           C
ATOM    663  NE  ARG A  42       7.355  -7.454   5.246  1.00 32.26           N
ATOM    664  CZ  ARG A  42       7.576  -8.437   6.167  1.00 34.32           C
ATOM    665  NH1 ARG A  42       7.465  -8.344   7.524  1.00 35.30           N
ATOM    666  NH2 ARG A  42       7.923  -9.640   5.622  1.00 36.39           N
ATOM      0  H   ARG A  42       6.842  -2.108   2.891  1.00  5.73           H   new
ATOM      0  HA  ARG A  42       4.656  -4.143   2.818  1.00  6.97           H   new
ATOM      0  HB2 ARG A  42       6.399  -3.338   5.110  1.00 13.23           H   new
ATOM      0  HB3 ARG A  42       4.935  -4.299   5.174  1.00 13.23           H   new
ATOM      0  HG2 ARG A  42       6.114  -5.950   3.582  1.00 21.27           H   new
ATOM      0  HG3 ARG A  42       7.586  -5.052   3.893  1.00 21.27           H   new
ATOM      0  HD2 ARG A  42       7.524  -5.589   6.265  1.00 26.14           H   new
ATOM      0  HD3 ARG A  42       5.887  -6.203   6.154  1.00 26.14           H   new
ATOM      0  HE  ARG A  42       7.561  -7.649   4.266  1.00 32.26           H   new
ATOM      0 HH11 ARG A  42       7.188  -7.461   7.954  1.00 35.30           H   new
ATOM      0 HH12 ARG A  42       7.659  -9.157   8.108  1.00 35.30           H   new
ATOM      0 HH21 ARG A  42       7.996  -9.739   4.609  1.00 36.39           H   new
ATOM      0 HH22 ARG A  42       8.109 -10.439   6.227  1.00 36.39           H   new
ATOM    680  N   LEU A  43       3.183  -2.396   3.493  1.00  4.65           N
ATOM    681  CA  LEU A  43       2.136  -1.510   3.899  1.00  3.51           C
ATOM    682  C   LEU A  43       1.579  -1.898   5.226  1.00  5.56           C
ATOM    683  O   LEU A  43       1.340  -3.075   5.492  1.00  4.19           O
ATOM    684  CB  LEU A  43       0.940  -1.425   2.936  1.00  3.74           C
ATOM    685  CG  LEU A  43       1.368  -0.912   1.550  1.00  6.32           C
ATOM    686  CD1 LEU A  43       0.192  -1.203   0.602  1.00  6.41           C
ATOM    687  CD2 LEU A  43       1.729   0.582   1.499  1.00  9.55           C
ATOM      0  H   LEU A  43       2.820  -3.323   3.273  1.00  4.65           H   new
ATOM      0  HA  LEU A  43       2.630  -0.539   3.922  1.00  3.51           H   new
ATOM      0  HB2 LEU A  43       0.482  -2.409   2.835  1.00  3.74           H   new
ATOM      0  HB3 LEU A  43       0.182  -0.761   3.353  1.00  3.74           H   new
ATOM      0  HG  LEU A  43       2.287  -1.423   1.264  1.00  6.32           H   new
ATOM      0 HD11 LEU A  43       0.440  -0.858  -0.402  1.00  6.41           H   new
ATOM      0 HD12 LEU A  43      -0.001  -2.276   0.580  1.00  6.41           H   new
ATOM      0 HD13 LEU A  43      -0.698  -0.681   0.955  1.00  6.41           H   new
ATOM      0 HD21 LEU A  43       2.018   0.852   0.483  1.00  9.55           H   new
ATOM      0 HD22 LEU A  43       0.866   1.175   1.801  1.00  9.55           H   new
ATOM      0 HD23 LEU A  43       2.560   0.779   2.177  1.00  9.55           H   new
ATOM    699  N   ILE A  44       1.249  -0.888   6.051  1.00  4.58           N
ATOM    700  CA  ILE A  44       0.538  -0.995   7.287  1.00  5.55           C
ATOM    701  C   ILE A  44      -0.824  -0.412   7.121  1.00  5.46           C
ATOM    702  O   ILE A  44      -0.919   0.610   6.443  1.00  6.04           O
ATOM    703  CB  ILE A  44       1.369  -0.331   8.345  1.00  6.80           C
ATOM    704  CG1 ILE A  44       2.629  -1.105   8.765  1.00 10.31           C
ATOM    705  CG2 ILE A  44       0.555  -0.057   9.621  1.00  7.39           C
ATOM    706  CD1 ILE A  44       3.678  -0.103   9.246  1.00 13.90           C
ATOM      0  H   ILE A  44       1.499   0.077   5.836  1.00  4.58           H   new
ATOM      0  HA  ILE A  44       0.381  -2.029   7.595  1.00  5.55           H   new
ATOM      0  HB  ILE A  44       1.687   0.595   7.866  1.00  6.80           H   new
ATOM      0 HG12 ILE A  44       2.391  -1.814   9.558  1.00 10.31           H   new
ATOM      0 HG13 ILE A  44       3.015  -1.684   7.926  1.00 10.31           H   new
ATOM      0 HG21 ILE A  44       1.192   0.424  10.363  1.00  7.39           H   new
ATOM      0 HG22 ILE A  44      -0.284   0.597   9.384  1.00  7.39           H   new
ATOM      0 HG23 ILE A  44       0.179  -0.998  10.022  1.00  7.39           H   new
ATOM      0 HD11 ILE A  44       4.579  -0.637   9.548  1.00 13.90           H   new
ATOM      0 HD12 ILE A  44       3.919   0.588   8.438  1.00 13.90           H   new
ATOM      0 HD13 ILE A  44       3.285   0.455  10.096  1.00 13.90           H   new
ATOM    718  N   PHE A  45      -1.925  -0.920   7.703  1.00  6.75           N
ATOM    719  CA  PHE A  45      -3.061  -0.077   7.910  1.00  4.70           C
ATOM    720  C   PHE A  45      -3.583  -0.185   9.302  1.00  6.34           C
ATOM    721  O   PHE A  45      -3.838  -1.270   9.821  1.00  5.45           O
ATOM    722  CB  PHE A  45      -4.186  -0.444   6.927  1.00  5.51           C
ATOM    723  CG  PHE A  45      -5.430   0.343   7.157  1.00  5.98           C
ATOM    724  CD1 PHE A  45      -5.431   1.717   7.209  1.00  6.86           C
ATOM    725  CD2 PHE A  45      -6.601  -0.371   7.253  1.00  5.87           C
ATOM    726  CE1 PHE A  45      -6.579   2.411   7.511  1.00  6.68           C
ATOM    727  CE2 PHE A  45      -7.774   0.302   7.503  1.00  6.64           C
ATOM    728  CZ  PHE A  45      -7.715   1.661   7.707  1.00  6.84           C
ATOM      0  H   PHE A  45      -2.029  -1.883   8.022  1.00  6.75           H   new
ATOM      0  HA  PHE A  45      -2.734   0.949   7.739  1.00  4.70           H   new
ATOM      0  HB2 PHE A  45      -3.840  -0.279   5.907  1.00  5.51           H   new
ATOM      0  HB3 PHE A  45      -4.411  -1.507   7.019  1.00  5.51           H   new
ATOM      0  HD1 PHE A  45      -4.518   2.258   7.010  1.00  6.86           H   new
ATOM      0  HD2 PHE A  45      -6.600  -1.444   7.134  1.00  5.87           H   new
ATOM      0  HE1 PHE A  45      -6.588   3.488   7.590  1.00  6.68           H   new
ATOM      0  HE2 PHE A  45      -8.717  -0.223   7.538  1.00  6.64           H   new
ATOM      0  HZ  PHE A  45      -8.610   2.167   8.039  1.00  6.84           H   new
ATOM    738  N   ALA A  46      -3.799   0.946   9.998  1.00  6.53           N
ATOM    739  CA  ALA A  46      -4.391   1.047  11.296  1.00  7.15           C
ATOM    740  C   ALA A  46      -3.526   0.342  12.283  1.00  9.00           C
ATOM    741  O   ALA A  46      -4.040  -0.397  13.121  1.00 11.15           O
ATOM    742  CB  ALA A  46      -5.840   0.533  11.273  1.00  8.99           C
ATOM      0  H   ALA A  46      -3.539   1.858   9.623  1.00  6.53           H   new
ATOM      0  HA  ALA A  46      -4.453   2.090  11.605  1.00  7.15           H   new
ATOM      0  HB1 ALA A  46      -6.272   0.618  12.270  1.00  8.99           H   new
ATOM      0  HB2 ALA A  46      -6.426   1.127  10.571  1.00  8.99           H   new
ATOM      0  HB3 ALA A  46      -5.851  -0.511  10.961  1.00  8.99           H   new
ATOM    748  N   GLY A  47      -2.194   0.526  12.241  1.00  9.35           N
ATOM    749  CA  GLY A  47      -1.155  -0.022  13.056  1.00 11.68           C
ATOM    750  C   GLY A  47      -0.642  -1.342  12.593  1.00 11.14           C
ATOM    751  O   GLY A  47       0.549  -1.612  12.737  1.00 13.93           O
ATOM      0  H   GLY A  47      -1.797   1.146  11.535  1.00  9.35           H   new
ATOM      0  HA2 GLY A  47      -0.326   0.685  13.090  1.00 11.68           H   new
ATOM      0  HA3 GLY A  47      -1.527  -0.127  14.075  1.00 11.68           H   new
ATOM    755  N   LYS A  48      -1.532  -2.124  11.956  1.00 10.47           N
ATOM    756  CA  LYS A  48      -1.369  -3.512  11.650  1.00  8.82           C
ATOM    757  C   LYS A  48      -0.841  -3.735  10.275  1.00  7.68           C
ATOM    758  O   LYS A  48      -1.216  -3.120   9.278  1.00  6.47           O
ATOM    759  CB  LYS A  48      -2.677  -4.310  11.783  1.00  9.74           C
ATOM    760  CG  LYS A  48      -2.573  -5.821  11.998  1.00 14.14           C
ATOM    761  CD  LYS A  48      -3.952  -6.410  12.301  1.00 16.32           C
ATOM    762  CE  LYS A  48      -4.073  -7.860  12.774  1.00 20.04           C
ATOM    763  NZ  LYS A  48      -3.947  -8.730  11.583  1.00 23.92           N
ATOM      0  H   LYS A  48      -2.428  -1.760  11.632  1.00 10.47           H   new
ATOM      0  HA  LYS A  48      -0.648  -3.868  12.386  1.00  8.82           H   new
ATOM      0  HB2 LYS A  48      -3.241  -3.891  12.616  1.00  9.74           H   new
ATOM      0  HB3 LYS A  48      -3.266  -4.140  10.882  1.00  9.74           H   new
ATOM      0  HG2 LYS A  48      -2.155  -6.294  11.109  1.00 14.14           H   new
ATOM      0  HG3 LYS A  48      -1.891  -6.032  12.822  1.00 14.14           H   new
ATOM      0  HD2 LYS A  48      -4.414  -5.780  13.061  1.00 16.32           H   new
ATOM      0  HD3 LYS A  48      -4.553  -6.312  11.397  1.00 16.32           H   new
ATOM      0  HE2 LYS A  48      -3.295  -8.092  13.502  1.00 20.04           H   new
ATOM      0  HE3 LYS A  48      -5.031  -8.023  13.268  1.00 20.04           H   new
ATOM      0  HZ1 LYS A  48      -4.025  -9.726  11.871  1.00 23.92           H   new
ATOM      0  HZ2 LYS A  48      -4.704  -8.505  10.907  1.00 23.92           H   new
ATOM      0  HZ3 LYS A  48      -3.023  -8.571  11.133  1.00 23.92           H   new
ATOM    777  N   GLN A  49       0.179  -4.600  10.134  1.00  8.89           N
ATOM    778  CA  GLN A  49       0.893  -4.824   8.916  1.00  7.18           C
ATOM    779  C   GLN A  49       0.063  -5.663   8.007  1.00  8.23           C
ATOM    780  O   GLN A  49      -0.481  -6.712   8.348  1.00  9.70           O
ATOM    781  CB  GLN A  49       2.235  -5.528   9.180  1.00 11.67           C
ATOM    782  CG  GLN A  49       3.288  -5.578   8.072  1.00 15.82           C
ATOM    783  CD  GLN A  49       4.674  -5.867   8.632  1.00 20.21           C
ATOM    784  OE1 GLN A  49       5.080  -7.025   8.548  1.00 23.23           O
ATOM    785  NE2 GLN A  49       5.321  -4.849   9.260  1.00 20.67           N
ATOM      0  H   GLN A  49       0.522  -5.170  10.907  1.00  8.89           H   new
ATOM      0  HA  GLN A  49       1.099  -3.858   8.454  1.00  7.18           H   new
ATOM      0  HB2 GLN A  49       2.692  -5.046  10.044  1.00 11.67           H   new
ATOM      0  HB3 GLN A  49       2.014  -6.556   9.468  1.00 11.67           H   new
ATOM      0  HG2 GLN A  49       3.019  -6.347   7.348  1.00 15.82           H   new
ATOM      0  HG3 GLN A  49       3.301  -4.628   7.538  1.00 15.82           H   new
ATOM      0 HE21 GLN A  49       4.907  -3.917   9.280  1.00 20.67           H   new
ATOM      0 HE22 GLN A  49       6.220  -5.018   9.711  1.00 20.67           H   new
ATOM    794  N   LEU A  50       0.041  -5.308   6.709  1.00  6.51           N
ATOM    795  CA  LEU A  50      -0.733  -5.992   5.721  1.00  7.41           C
ATOM    796  C   LEU A  50       0.048  -7.038   5.003  1.00  8.27           C
ATOM    797  O   LEU A  50       1.139  -6.702   4.546  1.00  8.34           O
ATOM    798  CB  LEU A  50      -1.268  -4.984   4.691  1.00  7.13           C
ATOM    799  CG  LEU A  50      -2.172  -3.885   5.275  1.00  7.53           C
ATOM    800  CD1 LEU A  50      -2.411  -2.696   4.330  1.00  9.11           C
ATOM    801  CD2 LEU A  50      -3.539  -4.528   5.562  1.00  8.14           C
ATOM      0  H   LEU A  50       0.577  -4.524   6.337  1.00  6.51           H   new
ATOM      0  HA  LEU A  50      -1.551  -6.485   6.246  1.00  7.41           H   new
ATOM      0  HB2 LEU A  50      -0.422  -4.512   4.192  1.00  7.13           H   new
ATOM      0  HB3 LEU A  50      -1.826  -5.527   3.928  1.00  7.13           H   new
ATOM      0  HG  LEU A  50      -1.672  -3.491   6.160  1.00  7.53           H   new
ATOM      0 HD11 LEU A  50      -3.058  -1.967   4.818  1.00  9.11           H   new
ATOM      0 HD12 LEU A  50      -1.457  -2.228   4.085  1.00  9.11           H   new
ATOM      0 HD13 LEU A  50      -2.887  -3.048   3.415  1.00  9.11           H   new
ATOM      0 HD21 LEU A  50      -4.213  -3.780   5.979  1.00  8.14           H   new
ATOM      0 HD22 LEU A  50      -3.959  -4.918   4.635  1.00  8.14           H   new
ATOM      0 HD23 LEU A  50      -3.415  -5.343   6.276  1.00  8.14           H   new
ATOM    813  N   GLU A  51      -0.383  -8.288   4.759  1.00  9.43           N
ATOM    814  CA  GLU A  51       0.206  -9.292   3.929  1.00 11.90           C
ATOM    815  C   GLU A  51      -0.305  -9.206   2.532  1.00 11.49           C
ATOM    816  O   GLU A  51      -1.257  -8.474   2.265  1.00  9.88           O
ATOM    817  CB  GLU A  51      -0.147 -10.695   4.452  1.00 16.56           C
ATOM    818  CG  GLU A  51       0.483 -10.854   5.838  1.00 26.06           C
ATOM    819  CD  GLU A  51       0.133 -12.153   6.549  1.00 29.86           C
ATOM    820  OE1 GLU A  51      -1.007 -12.383   7.034  1.00 33.44           O
ATOM    821  OE2 GLU A  51       1.019 -13.044   6.637  1.00 32.13           O
ATOM      0  H   GLU A  51      -1.240  -8.630   5.194  1.00  9.43           H   new
ATOM      0  HA  GLU A  51       1.283  -9.126   3.948  1.00 11.90           H   new
ATOM      0  HB2 GLU A  51      -1.228 -10.820   4.508  1.00 16.56           H   new
ATOM      0  HB3 GLU A  51       0.228 -11.461   3.773  1.00 16.56           H   new
ATOM      0  HG2 GLU A  51       1.567 -10.790   5.739  1.00 26.06           H   new
ATOM      0  HG3 GLU A  51       0.170 -10.018   6.463  1.00 26.06           H   new
ATOM    828  N   ASP A  52       0.302 -10.030   1.659  1.00 12.71           N
ATOM    829  CA  ASP A  52       0.286  -9.831   0.243  1.00 16.56           C
ATOM    830  C   ASP A  52      -1.008 -10.217  -0.387  1.00 15.83           C
ATOM    831  O   ASP A  52      -1.569  -9.417  -1.134  1.00 17.21           O
ATOM    832  CB  ASP A  52       1.418 -10.596  -0.464  1.00 21.05           C
ATOM    833  CG  ASP A  52       2.726  -9.829  -0.330  1.00 25.12           C
ATOM    834  OD1 ASP A  52       3.155  -9.542   0.819  1.00 28.37           O
ATOM    835  OD2 ASP A  52       3.422  -9.467  -1.316  1.00 25.82           O
ATOM      0  H   ASP A  52       0.820 -10.860   1.947  1.00 12.71           H   new
ATOM      0  HA  ASP A  52       0.431  -8.758   0.114  1.00 16.56           H   new
ATOM      0  HB2 ASP A  52       1.523 -11.590  -0.029  1.00 21.05           H   new
ATOM      0  HB3 ASP A  52       1.173 -10.733  -1.517  1.00 21.05           H   new
ATOM    840  N   GLY A  53      -1.328 -11.466  -0.004  1.00 15.00           N
ATOM    841  CA  GLY A  53      -2.315 -12.150  -0.780  1.00 11.77           C
ATOM    842  C   GLY A  53      -3.714 -11.641  -0.823  1.00 11.10           C
ATOM    843  O   GLY A  53      -4.347 -11.867  -1.854  1.00 11.25           O
ATOM      0  H   GLY A  53      -0.935 -11.975   0.788  1.00 15.00           H   new
ATOM      0  HA2 GLY A  53      -1.952 -12.186  -1.807  1.00 11.77           H   new
ATOM      0  HA3 GLY A  53      -2.355 -13.178  -0.420  1.00 11.77           H   new
ATOM    847  N   ARG A  54      -4.244 -10.959   0.208  1.00  8.53           N
ATOM    848  CA  ARG A  54      -5.665 -10.809   0.270  1.00  9.05           C
ATOM    849  C   ARG A  54      -6.080  -9.425  -0.092  1.00  8.96           C
ATOM    850  O   ARG A  54      -5.228  -8.568  -0.323  1.00 11.60           O
ATOM    851  CB  ARG A  54      -6.142 -11.188   1.682  1.00  7.97           C
ATOM    852  CG  ARG A  54      -5.761 -12.486   2.396  1.00  9.62           C
ATOM    853  CD  ARG A  54      -6.832 -12.910   3.403  1.00 12.20           C
ATOM    854  NE  ARG A  54      -6.197 -13.902   4.316  1.00 18.23           N
ATOM    855  CZ  ARG A  54      -6.702 -14.416   5.476  1.00 22.08           C
ATOM    856  NH1 ARG A  54      -7.848 -13.998   6.087  1.00 23.38           N
ATOM    857  NH2 ARG A  54      -6.111 -15.526   6.006  1.00 25.50           N
ATOM      0  H   ARG A  54      -3.717 -10.528   0.968  1.00  8.53           H   new
ATOM      0  HA  ARG A  54      -6.131 -11.474  -0.457  1.00  9.05           H   new
ATOM      0  HB2 ARG A  54      -5.826 -10.377   2.338  1.00  7.97           H   new
ATOM      0  HB3 ARG A  54      -7.231 -11.167   1.651  1.00  7.97           H   new
ATOM      0  HG2 ARG A  54      -5.618 -13.278   1.661  1.00  9.62           H   new
ATOM      0  HG3 ARG A  54      -4.809 -12.353   2.910  1.00  9.62           H   new
ATOM      0  HD2 ARG A  54      -7.199 -12.049   3.962  1.00 12.20           H   new
ATOM      0  HD3 ARG A  54      -7.690 -13.348   2.893  1.00 12.20           H   new
ATOM      0  HE  ARG A  54      -5.274 -14.238   4.041  1.00 18.23           H   new
ATOM      0 HH11 ARG A  54      -8.399 -13.245   5.676  1.00 23.38           H   new
ATOM      0 HH12 ARG A  54      -8.153 -14.439   6.955  1.00 23.38           H   new
ATOM      0 HH21 ARG A  54      -5.312 -15.952   5.537  1.00 25.50           H   new
ATOM      0 HH22 ARG A  54      -6.469 -15.930   6.872  1.00 25.50           H   new
ATOM    871  N   THR A  55      -7.385  -9.162  -0.284  1.00  9.05           N
ATOM    872  CA  THR A  55      -7.955  -7.932  -0.741  1.00  9.03           C
ATOM    873  C   THR A  55      -8.170  -6.909   0.320  1.00  8.15           C
ATOM    874  O   THR A  55      -8.206  -7.128   1.530  1.00  5.91           O
ATOM    875  CB  THR A  55      -9.152  -8.146  -1.618  1.00 11.15           C
ATOM    876  OG1 THR A  55     -10.281  -8.610  -0.892  1.00 11.95           O
ATOM    877  CG2 THR A  55      -8.978  -9.079  -2.829  1.00 11.71           C
ATOM      0  H   THR A  55      -8.099  -9.868  -0.105  1.00  9.05           H   new
ATOM      0  HA  THR A  55      -7.186  -7.486  -1.372  1.00  9.03           H   new
ATOM      0  HB  THR A  55      -9.300  -7.140  -2.011  1.00 11.15           H   new
ATOM      0  HG1 THR A  55     -10.095  -9.503  -0.533  1.00 11.95           H   new
ATOM      0 HG21 THR A  55      -9.919  -9.145  -3.376  1.00 11.71           H   new
ATOM      0 HG22 THR A  55      -8.204  -8.682  -3.486  1.00 11.71           H   new
ATOM      0 HG23 THR A  55      -8.688 -10.072  -2.485  1.00 11.71           H   new
ATOM    885  N   LEU A  56      -8.498  -5.694  -0.154  1.00  6.91           N
ATOM    886  CA  LEU A  56      -8.811  -4.564   0.666  1.00  8.29           C
ATOM    887  C   LEU A  56     -10.155  -4.718   1.291  1.00  8.05           C
ATOM    888  O   LEU A  56     -10.336  -4.318   2.440  1.00 10.17           O
ATOM    889  CB  LEU A  56      -8.833  -3.267  -0.159  1.00  6.60           C
ATOM    890  CG  LEU A  56      -7.507  -2.741  -0.735  1.00  7.73           C
ATOM    891  CD1 LEU A  56      -7.639  -1.506  -1.642  1.00  8.64           C
ATOM    892  CD2 LEU A  56      -6.474  -2.471   0.371  1.00  9.85           C
ATOM      0  H   LEU A  56      -8.547  -5.490  -1.152  1.00  6.91           H   new
ATOM      0  HA  LEU A  56      -8.037  -4.509   1.432  1.00  8.29           H   new
ATOM      0  HB2 LEU A  56      -9.520  -3.415  -0.992  1.00  6.60           H   new
ATOM      0  HB3 LEU A  56      -9.257  -2.482   0.468  1.00  6.60           H   new
ATOM      0  HG  LEU A  56      -7.157  -3.550  -1.376  1.00  7.73           H   new
ATOM      0 HD11 LEU A  56      -6.653  -1.210  -1.999  1.00  8.64           H   new
ATOM      0 HD12 LEU A  56      -8.276  -1.746  -2.493  1.00  8.64           H   new
ATOM      0 HD13 LEU A  56      -8.082  -0.686  -1.077  1.00  8.64           H   new
ATOM      0 HD21 LEU A  56      -5.551  -2.101  -0.076  1.00  9.85           H   new
ATOM      0 HD22 LEU A  56      -6.867  -1.725   1.062  1.00  9.85           H   new
ATOM      0 HD23 LEU A  56      -6.270  -3.395   0.912  1.00  9.85           H   new
ATOM    904  N   SER A  57     -11.130  -5.347   0.611  1.00  8.92           N
ATOM    905  CA  SER A  57     -12.332  -5.857   1.194  1.00  9.00           C
ATOM    906  C   SER A  57     -12.168  -6.854   2.289  1.00  9.44           C
ATOM    907  O   SER A  57     -12.968  -6.860   3.223  1.00 10.91           O
ATOM    908  CB  SER A  57     -13.099  -6.535   0.046  1.00 10.32           C
ATOM    909  OG  SER A  57     -14.317  -7.147   0.443  1.00 13.59           O
ATOM      0  H   SER A  57     -11.077  -5.508  -0.395  1.00  8.92           H   new
ATOM      0  HA  SER A  57     -12.838  -5.013   1.663  1.00  9.00           H   new
ATOM      0  HB2 SER A  57     -13.312  -5.792  -0.723  1.00 10.32           H   new
ATOM      0  HB3 SER A  57     -12.457  -7.290  -0.409  1.00 10.32           H   new
ATOM      0  HG  SER A  57     -14.748  -7.554  -0.337  1.00 13.59           H   new
ATOM    915  N   ASP A  58     -11.217  -7.802   2.203  1.00  9.11           N
ATOM    916  CA  ASP A  58     -10.992  -8.699   3.293  1.00  7.91           C
ATOM    917  C   ASP A  58     -10.505  -8.069   4.553  1.00  9.12           C
ATOM    918  O   ASP A  58     -11.073  -8.284   5.622  1.00  8.61           O
ATOM    919  CB  ASP A  58      -9.918  -9.759   2.994  1.00  8.41           C
ATOM    920  CG  ASP A  58     -10.274 -10.459   1.691  1.00 11.50           C
ATOM    921  OD1 ASP A  58     -11.404 -11.015   1.736  1.00 11.70           O
ATOM    922  OD2 ASP A  58      -9.487 -10.436   0.707  1.00 10.05           O
ATOM      0  H   ASP A  58     -10.614  -7.946   1.393  1.00  9.11           H   new
ATOM      0  HA  ASP A  58     -11.991  -9.115   3.422  1.00  7.91           H   new
ATOM      0  HB2 ASP A  58      -8.937  -9.291   2.916  1.00  8.41           H   new
ATOM      0  HB3 ASP A  58      -9.863 -10.481   3.808  1.00  8.41           H   new
ATOM    927  N   TYR A  59      -9.453  -7.243   4.413  1.00  7.97           N
ATOM    928  CA  TYR A  59      -8.847  -6.483   5.462  1.00  8.45           C
ATOM    929  C   TYR A  59      -9.838  -5.583   6.117  1.00 10.98           C
ATOM    930  O   TYR A  59      -9.901  -5.577   7.346  1.00 12.95           O
ATOM    931  CB  TYR A  59      -7.622  -5.677   4.999  1.00  7.94           C
ATOM    932  CG  TYR A  59      -6.429  -6.569   5.057  1.00  6.91           C
ATOM    933  CD1 TYR A  59      -5.967  -7.070   6.251  1.00  6.98           C
ATOM    934  CD2 TYR A  59      -5.790  -6.953   3.902  1.00  4.59           C
ATOM    935  CE1 TYR A  59      -4.839  -7.851   6.351  1.00  6.52           C
ATOM    936  CE2 TYR A  59      -4.770  -7.875   3.922  1.00  5.39           C
ATOM    937  CZ  TYR A  59      -4.286  -8.244   5.155  1.00  6.76           C
ATOM    938  OH  TYR A  59      -3.120  -9.035   5.217  1.00  7.63           O
ATOM      0  H   TYR A  59      -8.998  -7.097   3.512  1.00  7.97           H   new
ATOM      0  HA  TYR A  59      -8.490  -7.212   6.189  1.00  8.45           H   new
ATOM      0  HB2 TYR A  59      -7.771  -5.307   3.985  1.00  7.94           H   new
ATOM      0  HB3 TYR A  59      -7.477  -4.806   5.638  1.00  7.94           H   new
ATOM      0  HD1 TYR A  59      -6.515  -6.840   7.153  1.00  6.98           H   new
ATOM      0  HD2 TYR A  59      -6.095  -6.522   2.960  1.00  4.59           H   new
ATOM      0  HE1 TYR A  59      -4.417  -8.136   7.303  1.00  6.52           H   new
ATOM      0  HE2 TYR A  59      -4.367  -8.291   3.010  1.00  5.39           H   new
ATOM      0  HH  TYR A  59      -2.823  -9.251   4.309  1.00  7.63           H   new
ATOM    948  N   ASN A  60     -10.685  -4.972   5.269  1.00 12.38           N
ATOM    949  CA  ASN A  60     -11.660  -3.953   5.505  1.00 13.94           C
ATOM    950  C   ASN A  60     -11.037  -2.600   5.532  1.00 14.16           C
ATOM    951  O   ASN A  60     -11.102  -1.942   6.570  1.00 14.26           O
ATOM    952  CB  ASN A  60     -12.526  -4.207   6.750  1.00 19.23           C
ATOM    953  CG  ASN A  60     -13.274  -5.531   6.811  1.00 22.65           C
ATOM    954  OD1 ASN A  60     -14.204  -5.809   6.056  1.00 25.45           O
ATOM    955  ND2 ASN A  60     -12.762  -6.360   7.760  1.00 24.09           N
ATOM      0  H   ASN A  60     -10.681  -5.233   4.283  1.00 12.38           H   new
ATOM      0  HA  ASN A  60     -12.346  -3.992   4.659  1.00 13.94           H   new
ATOM      0  HB2 ASN A  60     -11.885  -4.139   7.629  1.00 19.23           H   new
ATOM      0  HB3 ASN A  60     -13.256  -3.401   6.825  1.00 19.23           H   new
ATOM      0 HD21 ASN A  60     -13.153  -7.294   7.886  1.00 24.09           H   new
ATOM      0 HD22 ASN A  60     -11.987  -6.048   8.345  1.00 24.09           H   new
ATOM    962  N   ILE A  61     -10.394  -2.148   4.441  1.00 11.08           N
ATOM    963  CA  ILE A  61      -9.737  -0.893   4.243  1.00 11.78           C
ATOM    964  C   ILE A  61     -10.611  -0.017   3.414  1.00 13.74           C
ATOM    965  O   ILE A  61     -10.772  -0.300   2.228  1.00 14.60           O
ATOM    966  CB  ILE A  61      -8.437  -1.126   3.533  1.00 11.80           C
ATOM    967  CG1 ILE A  61      -7.656  -2.194   4.317  1.00 11.56           C
ATOM    968  CG2 ILE A  61      -7.729   0.236   3.434  1.00 13.29           C
ATOM    969  CD1 ILE A  61      -6.158  -2.361   4.064  1.00 11.42           C
ATOM      0  H   ILE A  61     -10.329  -2.730   3.606  1.00 11.08           H   new
ATOM      0  HA  ILE A  61      -9.544  -0.414   5.203  1.00 11.78           H   new
ATOM      0  HB  ILE A  61      -8.549  -1.508   2.518  1.00 11.80           H   new
ATOM      0 HG12 ILE A  61      -7.787  -1.983   5.378  1.00 11.56           H   new
ATOM      0 HG13 ILE A  61      -8.130  -3.156   4.122  1.00 11.56           H   new
ATOM      0 HG21 ILE A  61      -6.774   0.114   2.922  1.00 13.29           H   new
ATOM      0 HG22 ILE A  61      -8.354   0.931   2.874  1.00 13.29           H   new
ATOM      0 HG23 ILE A  61      -7.556   0.630   4.436  1.00 13.29           H   new
ATOM      0 HD11 ILE A  61      -5.768  -3.156   4.700  1.00 11.42           H   new
ATOM      0 HD12 ILE A  61      -5.992  -2.619   3.018  1.00 11.42           H   new
ATOM      0 HD13 ILE A  61      -5.644  -1.428   4.294  1.00 11.42           H   new
ATOM    981  N   GLN A  62     -11.299   0.980   3.999  1.00 13.97           N
ATOM    982  CA  GLN A  62     -12.194   1.835   3.284  1.00 15.52           C
ATOM    983  C   GLN A  62     -11.484   2.976   2.640  1.00 13.94           C
ATOM    984  O   GLN A  62     -10.278   3.195   2.742  1.00 12.15           O
ATOM    985  CB  GLN A  62     -13.234   2.404   4.264  1.00 19.53           C
ATOM    986  CG  GLN A  62     -13.808   1.269   5.114  1.00 26.38           C
ATOM    987  CD  GLN A  62     -14.444   0.192   4.247  1.00 30.61           C
ATOM    988  OE1 GLN A  62     -14.002  -0.949   4.124  1.00 33.23           O
ATOM    989  NE2 GLN A  62     -15.496   0.616   3.497  1.00 32.71           N
ATOM      0  H   GLN A  62     -11.231   1.197   4.993  1.00 13.97           H   new
ATOM      0  HA  GLN A  62     -12.666   1.240   2.503  1.00 15.52           H   new
ATOM      0  HB2 GLN A  62     -12.773   3.155   4.905  1.00 19.53           H   new
ATOM      0  HB3 GLN A  62     -14.033   2.901   3.715  1.00 19.53           H   new
ATOM      0  HG2 GLN A  62     -13.015   0.829   5.720  1.00 26.38           H   new
ATOM      0  HG3 GLN A  62     -14.551   1.669   5.803  1.00 26.38           H   new
ATOM      0 HE21 GLN A  62     -15.853   1.565   3.609  1.00 32.71           H   new
ATOM      0 HE22 GLN A  62     -15.928  -0.015   2.822  1.00 32.71           H   new
ATOM    998  N   LYS A  63     -12.207   3.870   1.943  1.00 11.73           N
ATOM    999  CA  LYS A  63     -11.623   5.054   1.392  1.00 11.97           C
ATOM   1000  C   LYS A  63     -11.101   6.063   2.355  1.00 10.41           C
ATOM   1001  O   LYS A  63     -11.505   6.095   3.516  1.00  9.59           O
ATOM   1002  CB  LYS A  63     -12.666   5.880   0.620  1.00 13.73           C
ATOM   1003  CG  LYS A  63     -14.001   6.291   1.245  1.00 16.98           C
ATOM   1004  CD  LYS A  63     -14.803   7.150   0.265  1.00 20.19           C
ATOM   1005  CE  LYS A  63     -16.275   7.344   0.635  1.00 23.42           C
ATOM   1006  NZ  LYS A  63     -16.249   8.006   1.958  1.00 25.97           N
ATOM      0  H   LYS A  63     -13.206   3.772   1.760  1.00 11.73           H   new
ATOM      0  HA  LYS A  63     -10.809   4.626   0.806  1.00 11.97           H   new
ATOM      0  HB2 LYS A  63     -12.170   6.799   0.307  1.00 13.73           H   new
ATOM      0  HB3 LYS A  63     -12.902   5.321  -0.285  1.00 13.73           H   new
ATOM      0  HG2 LYS A  63     -14.573   5.403   1.514  1.00 16.98           H   new
ATOM      0  HG3 LYS A  63     -13.824   6.847   2.166  1.00 16.98           H   new
ATOM      0  HD2 LYS A  63     -14.330   8.129   0.191  1.00 20.19           H   new
ATOM      0  HD3 LYS A  63     -14.749   6.694  -0.724  1.00 20.19           H   new
ATOM      0  HE2 LYS A  63     -16.791   7.957  -0.104  1.00 23.42           H   new
ATOM      0  HE3 LYS A  63     -16.800   6.390   0.680  1.00 23.42           H   new
ATOM      0  HZ1 LYS A  63     -17.197   8.371   2.182  1.00 25.97           H   new
ATOM      0  HZ2 LYS A  63     -15.961   7.319   2.684  1.00 25.97           H   new
ATOM      0  HZ3 LYS A  63     -15.571   8.794   1.939  1.00 25.97           H   new
ATOM   1020  N   GLU A  64     -10.180   6.908   1.857  1.00 10.04           N
ATOM   1021  CA  GLU A  64      -9.532   8.017   2.483  1.00 10.94           C
ATOM   1022  C   GLU A  64      -8.837   7.690   3.760  1.00  9.74           C
ATOM   1023  O   GLU A  64      -8.676   8.549   4.626  1.00  9.42           O
ATOM   1024  CB  GLU A  64     -10.416   9.273   2.565  1.00 18.31           C
ATOM   1025  CG  GLU A  64     -10.581   9.886   1.173  1.00 24.16           C
ATOM   1026  CD  GLU A  64     -11.174  11.287   1.199  1.00 29.00           C
ATOM   1027  OE1 GLU A  64     -10.744  12.213   1.939  1.00 31.72           O
ATOM   1028  OE2 GLU A  64     -12.177  11.402   0.445  1.00 32.61           O
ATOM      0  H   GLU A  64      -9.853   6.795   0.897  1.00 10.04           H   new
ATOM      0  HA  GLU A  64      -8.721   8.275   1.802  1.00 10.94           H   new
ATOM      0  HB2 GLU A  64     -11.392   9.015   2.976  1.00 18.31           H   new
ATOM      0  HB3 GLU A  64      -9.967  10.001   3.241  1.00 18.31           H   new
ATOM      0  HG2 GLU A  64      -9.609   9.919   0.681  1.00 24.16           H   new
ATOM      0  HG3 GLU A  64     -11.221   9.239   0.572  1.00 24.16           H   new
ATOM   1035  N   SER A  65      -8.419   6.415   3.840  1.00  6.85           N
ATOM   1036  CA  SER A  65      -7.473   5.952   4.808  1.00  6.90           C
ATOM   1037  C   SER A  65      -6.048   6.176   4.436  1.00  4.72           C
ATOM   1038  O   SER A  65      -5.704   6.237   3.257  1.00  3.91           O
ATOM   1039  CB  SER A  65      -7.489   4.414   4.812  1.00  7.28           C
ATOM   1040  OG  SER A  65      -8.750   3.794   5.019  1.00 10.56           O
ATOM      0  H   SER A  65      -8.749   5.683   3.212  1.00  6.85           H   new
ATOM      0  HA  SER A  65      -7.755   6.473   5.723  1.00  6.90           H   new
ATOM      0  HB2 SER A  65      -7.090   4.066   3.859  1.00  7.28           H   new
ATOM      0  HB3 SER A  65      -6.807   4.068   5.589  1.00  7.28           H   new
ATOM      0  HG  SER A  65      -9.184   3.639   4.154  1.00 10.56           H   new
ATOM   1046  N   THR A  66      -5.117   6.224   5.405  1.00  4.48           N
ATOM   1047  CA  THR A  66      -3.740   6.542   5.187  1.00  3.80           C
ATOM   1048  C   THR A  66      -2.826   5.382   5.383  1.00  4.60           C
ATOM   1049  O   THR A  66      -2.557   5.029   6.530  1.00  5.33           O
ATOM   1050  CB  THR A  66      -3.281   7.715   6.003  1.00  2.85           C
ATOM   1051  OG1 THR A  66      -4.063   8.851   5.666  1.00  2.15           O
ATOM   1052  CG2 THR A  66      -1.870   8.252   5.709  1.00  3.40           C
ATOM      0  H   THR A  66      -5.333   6.033   6.383  1.00  4.48           H   new
ATOM      0  HA  THR A  66      -3.685   6.821   4.135  1.00  3.80           H   new
ATOM      0  HB  THR A  66      -3.345   7.330   7.021  1.00  2.85           H   new
ATOM      0  HG1 THR A  66      -3.769   9.620   6.197  1.00  2.15           H   new
ATOM      0 HG21 THR A  66      -1.659   9.098   6.364  1.00  3.40           H   new
ATOM      0 HG22 THR A  66      -1.137   7.465   5.885  1.00  3.40           H   new
ATOM      0 HG23 THR A  66      -1.813   8.575   4.669  1.00  3.40           H   new
ATOM   1060  N   LEU A  67      -2.463   4.665   4.305  1.00  4.17           N
ATOM   1061  CA  LEU A  67      -1.589   3.533   4.293  1.00  3.85           C
ATOM   1062  C   LEU A  67      -0.152   3.927   4.332  1.00  3.80           C
ATOM   1063  O   LEU A  67       0.253   4.886   3.677  1.00  5.54           O
ATOM   1064  CB  LEU A  67      -1.922   2.528   3.178  1.00  7.18           C
ATOM   1065  CG  LEU A  67      -3.214   1.704   3.308  1.00  9.67           C
ATOM   1066  CD1 LEU A  67      -4.526   2.479   3.098  1.00 11.66           C
ATOM   1067  CD2 LEU A  67      -3.109   0.485   2.377  1.00  8.12           C
ATOM      0  H   LEU A  67      -2.807   4.895   3.373  1.00  4.17           H   new
ATOM      0  HA  LEU A  67      -1.772   2.992   5.221  1.00  3.85           H   new
ATOM      0  HB2 LEU A  67      -1.970   3.077   2.238  1.00  7.18           H   new
ATOM      0  HB3 LEU A  67      -1.088   1.830   3.098  1.00  7.18           H   new
ATOM      0  HG  LEU A  67      -3.284   1.393   4.350  1.00  9.67           H   new
ATOM      0 HD11 LEU A  67      -5.372   1.801   3.213  1.00 11.66           H   new
ATOM      0 HD12 LEU A  67      -4.599   3.278   3.836  1.00 11.66           H   new
ATOM      0 HD13 LEU A  67      -4.539   2.908   2.096  1.00 11.66           H   new
ATOM      0 HD21 LEU A  67      -4.017  -0.112   2.456  1.00  8.12           H   new
ATOM      0 HD22 LEU A  67      -2.985   0.823   1.348  1.00  8.12           H   new
ATOM      0 HD23 LEU A  67      -2.250  -0.121   2.666  1.00  8.12           H   new
ATOM   1079  N   HIS A  68       0.703   3.189   5.062  1.00  2.94           N
ATOM   1080  CA  HIS A  68       2.038   3.589   5.385  1.00  4.17           C
ATOM   1081  C   HIS A  68       3.095   2.709   4.811  1.00  5.32           C
ATOM   1082  O   HIS A  68       3.109   1.519   5.123  1.00  7.70           O
ATOM   1083  CB  HIS A  68       2.145   3.693   6.916  1.00  5.57           C
ATOM   1084  CG  HIS A  68       1.444   4.898   7.470  1.00  9.95           C
ATOM   1085  ND1 HIS A  68       0.098   4.914   7.774  1.00 13.74           N
ATOM   1086  CD2 HIS A  68       1.870   6.178   7.642  1.00 12.79           C
ATOM   1087  CE1 HIS A  68      -0.210   6.175   8.180  1.00 14.75           C
ATOM   1088  NE2 HIS A  68       0.832   6.979   8.075  1.00 16.30           N
ATOM      0  H   HIS A  68       0.454   2.276   5.443  1.00  2.94           H   new
ATOM      0  HA  HIS A  68       2.224   4.558   4.921  1.00  4.17           H   new
ATOM      0  HB2 HIS A  68       1.723   2.795   7.366  1.00  5.57           H   new
ATOM      0  HB3 HIS A  68       3.197   3.728   7.200  1.00  5.57           H   new
ATOM      0  HD2 HIS A  68       2.879   6.520   7.465  1.00 12.79           H   new
ATOM      0  HE1 HIS A  68      -1.181   6.479   8.541  1.00 14.75           H   new
ATOM      0  HE2 HIS A  68       0.864   7.979   8.272  1.00 16.30           H   new
ATOM   1096  N   LEU A  69       3.896   3.262   3.883  1.00  5.29           N
ATOM   1097  CA  LEU A  69       5.001   2.572   3.294  1.00  3.97           C
ATOM   1098  C   LEU A  69       6.295   2.655   4.029  1.00  5.07           C
ATOM   1099  O   LEU A  69       6.927   3.697   4.195  1.00  4.34           O
ATOM   1100  CB  LEU A  69       5.153   3.027   1.833  1.00  6.08           C
ATOM   1101  CG  LEU A  69       6.181   2.385   0.886  1.00  7.37           C
ATOM   1102  CD1 LEU A  69       5.965   0.864   0.805  1.00  9.96           C
ATOM   1103  CD2 LEU A  69       5.982   3.079  -0.472  1.00  6.87           C
ATOM      0  H   LEU A  69       3.772   4.212   3.533  1.00  5.29           H   new
ATOM      0  HA  LEU A  69       4.754   1.512   3.351  1.00  3.97           H   new
ATOM      0  HB2 LEU A  69       4.176   2.911   1.363  1.00  6.08           H   new
ATOM      0  HB3 LEU A  69       5.370   4.095   1.856  1.00  6.08           H   new
ATOM      0  HG  LEU A  69       7.205   2.516   1.235  1.00  7.37           H   new
ATOM      0 HD11 LEU A  69       6.701   0.427   0.130  1.00  9.96           H   new
ATOM      0 HD12 LEU A  69       6.078   0.427   1.797  1.00  9.96           H   new
ATOM      0 HD13 LEU A  69       4.962   0.658   0.430  1.00  9.96           H   new
ATOM      0 HD21 LEU A  69       6.685   2.669  -1.197  1.00  6.87           H   new
ATOM      0 HD22 LEU A  69       4.963   2.912  -0.820  1.00  6.87           H   new
ATOM      0 HD23 LEU A  69       6.157   4.149  -0.363  1.00  6.87           H   new
ATOM   1115  N   VAL A  70       6.746   1.479   4.500  1.00  4.29           N
ATOM   1116  CA  VAL A  70       7.980   1.167   5.153  1.00  6.26           C
ATOM   1117  C   VAL A  70       8.809   0.389   4.190  1.00  9.22           C
ATOM   1118  O   VAL A  70       8.263  -0.260   3.298  1.00  9.36           O
ATOM   1119  CB  VAL A  70       7.846   0.630   6.547  1.00  8.69           C
ATOM   1120  CG1 VAL A  70       6.987   1.542   7.438  1.00  9.76           C
ATOM   1121  CG2 VAL A  70       7.160  -0.746   6.506  1.00  8.54           C
ATOM      0  H   VAL A  70       6.169   0.643   4.409  1.00  4.29           H   new
ATOM      0  HA  VAL A  70       8.525   2.080   5.392  1.00  6.26           H   new
ATOM      0  HB  VAL A  70       8.852   0.568   6.961  1.00  8.69           H   new
ATOM      0 HG11 VAL A  70       6.918   1.113   8.438  1.00  9.76           H   new
ATOM      0 HG12 VAL A  70       7.445   2.529   7.497  1.00  9.76           H   new
ATOM      0 HG13 VAL A  70       5.988   1.631   7.011  1.00  9.76           H   new
ATOM      0 HG21 VAL A  70       7.063  -1.135   7.520  1.00  8.54           H   new
ATOM      0 HG22 VAL A  70       6.171  -0.646   6.060  1.00  8.54           H   new
ATOM      0 HG23 VAL A  70       7.759  -1.434   5.909  1.00  8.54           H   new
ATOM   1131  N   LEU A  71      10.142   0.400   4.367  1.00 12.71           N
ATOM   1132  CA  LEU A  71      10.968  -0.322   3.450  1.00 16.06           C
ATOM   1133  C   LEU A  71      11.715  -1.335   4.248  1.00 18.09           C
ATOM   1134  O   LEU A  71      11.587  -1.595   5.443  1.00 19.26           O
ATOM   1135  CB  LEU A  71      11.930   0.617   2.703  1.00 17.10           C
ATOM   1136  CG  LEU A  71      11.287   1.662   1.776  1.00 19.37           C
ATOM   1137  CD1 LEU A  71      12.340   2.609   1.177  1.00 19.57           C
ATOM   1138  CD2 LEU A  71      10.224   1.193   0.769  1.00 17.51           C
ATOM      0  H   LEU A  71      10.634   0.889   5.115  1.00 12.71           H   new
ATOM      0  HA  LEU A  71      10.360  -0.805   2.685  1.00 16.06           H   new
ATOM      0  HB2 LEU A  71      12.536   1.143   3.441  1.00 17.10           H   new
ATOM      0  HB3 LEU A  71      12.610   0.006   2.109  1.00 17.10           H   new
ATOM      0  HG  LEU A  71      10.653   2.230   2.457  1.00 19.37           H   new
ATOM      0 HD11 LEU A  71      11.850   3.334   0.527  1.00 19.57           H   new
ATOM      0 HD12 LEU A  71      12.857   3.133   1.981  1.00 19.57           H   new
ATOM      0 HD13 LEU A  71      13.061   2.032   0.598  1.00 19.57           H   new
ATOM      0 HD21 LEU A  71       9.869   2.046   0.191  1.00 17.51           H   new
ATOM      0 HD22 LEU A  71      10.661   0.455   0.096  1.00 17.51           H   new
ATOM      0 HD23 LEU A  71       9.388   0.745   1.305  1.00 17.51           H   new