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  55 THR OG1 :   rot  133:sc=    1.15
USER  MOD Set 1.2: A  57 SER OG  :   rot  180:sc=   0.903
USER  MOD Set 2.1: A  25 ASN     :      amide:sc=  0.0149  K(o=0.074,f=-1.8!)
USER  MOD Set 2.2: A  29 LYS NZ  :NH3+   -122:sc=  0.0594   (180deg=0)
USER  MOD Set 3.1: A   7 THR OG1 :   rot  180:sc=  0.0785
USER  MOD Set 3.2: A   9 THR OG1 :   rot  180:sc=  0.0808
USER  MOD Single : A   1 MET CE  :methyl  175:sc=       0   (180deg=-0.0396)
USER  MOD Single : A   1 MET N   :NH3+    149:sc=    1.26   (180deg=1.13)
USER  MOD Single : A   2 GLN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A   6 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  11 LYS NZ  :NH3+   -178:sc=    1.16   (180deg=1.11)
USER  MOD Single : A  12 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  14 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  20 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  22 THR OG1 :   rot  180:sc= -0.0313
USER  MOD Single : A  27 LYS NZ  :NH3+    128:sc=     1.1   (180deg=0.623)
USER  MOD Single : A  31 GLN     :      amide:sc=       0  X(o=0,f=-0.019)
USER  MOD Single : A  33 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  40 GLN     :      amide:sc=-0.00527  K(o=-0.0053,f=-1.4!)
USER  MOD Single : A  41 GLN     :      amide:sc=    1.19  K(o=1.2,f=-7.1!)
USER  MOD Single : A  48 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  49 GLN     :      amide:sc=   0.137  K(o=0.14,f=-4.7!)
USER  MOD Single : A  59 TYR OH  :   rot   30:sc=   0.277
USER  MOD Single : A  60 ASN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A  62 GLN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A  63 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  65 SER OG  :   rot -124:sc=   0.298
USER  MOD Single : A  66 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  68 HIS     :     no HE2:sc=   0.575  K(o=0.57,f=-2.1!)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   MET A   1     -11.884   5.368  -3.067  1.00  9.67           N
ATOM      2  CA  MET A   1     -11.545   5.748  -1.677  1.00 10.38           C
ATOM      3  C   MET A   1     -10.110   6.142  -1.590  1.00  9.62           C
ATOM      4  O   MET A   1      -9.243   5.637  -2.301  1.00  9.62           O
ATOM      5  CB  MET A   1     -12.076   4.829  -0.564  1.00 13.77           C
ATOM      6  CG  MET A   1     -11.406   3.463  -0.405  1.00 16.29           C
ATOM      7  SD  MET A   1     -10.083   3.473   0.843  1.00 17.17           S
ATOM      8  CE  MET A   1     -10.073   1.694   1.206  1.00 16.11           C
ATOM      0  H1  MET A   1     -12.629   4.643  -3.057  1.00  9.67           H   new
ATOM      0  H2  MET A   1     -12.223   6.205  -3.583  1.00  9.67           H   new
ATOM      0  H3  MET A   1     -11.038   4.989  -3.539  1.00  9.67           H   new
ATOM      0  HA  MET A   1     -12.130   6.637  -1.441  1.00 10.38           H   new
ATOM      0  HB2 MET A   1     -11.988   5.361   0.383  1.00 13.77           H   new
ATOM      0  HB3 MET A   1     -13.139   4.665  -0.740  1.00 13.77           H   new
ATOM      0  HG2 MET A   1     -12.157   2.724  -0.126  1.00 16.29           H   new
ATOM      0  HG3 MET A   1     -10.993   3.151  -1.364  1.00 16.29           H   new
ATOM      0  HE1 MET A   1      -9.259   1.468   1.895  1.00 16.11           H   new
ATOM      0  HE2 MET A   1     -11.022   1.410   1.660  1.00 16.11           H   new
ATOM      0  HE3 MET A   1      -9.931   1.135   0.281  1.00 16.11           H   new
ATOM     20  N   GLN A   2      -9.777   7.104  -0.711  1.00  9.27           N
ATOM     21  CA  GLN A   2      -8.495   7.667  -0.423  1.00  9.07           C
ATOM     22  C   GLN A   2      -7.751   6.930   0.638  1.00  8.72           C
ATOM     23  O   GLN A   2      -8.154   6.962   1.799  1.00  8.22           O
ATOM     24  CB  GLN A   2      -8.665   9.149  -0.047  1.00 14.46           C
ATOM     25  CG  GLN A   2      -7.366   9.917   0.206  1.00 17.01           C
ATOM     26  CD  GLN A   2      -7.675  11.285   0.799  1.00 20.10           C
ATOM     27  OE1 GLN A   2      -7.772  11.419   2.017  1.00 21.89           O
ATOM     28  NE2 GLN A   2      -7.838  12.329  -0.057  1.00 19.49           N
ATOM      0  H   GLN A   2     -10.498   7.537  -0.134  1.00  9.27           H   new
ATOM      0  HA  GLN A   2      -7.888   7.577  -1.324  1.00  9.07           H   new
ATOM      0  HB2 GLN A   2      -9.212   9.648  -0.847  1.00 14.46           H   new
ATOM      0  HB3 GLN A   2      -9.283   9.210   0.849  1.00 14.46           H   new
ATOM      0  HG2 GLN A   2      -6.727   9.353   0.886  1.00 17.01           H   new
ATOM      0  HG3 GLN A   2      -6.815  10.032  -0.727  1.00 17.01           H   new
ATOM      0 HE21 GLN A   2      -7.751  12.182  -1.063  1.00 19.49           H   new
ATOM      0 HE22 GLN A   2      -8.048  13.259   0.307  1.00 19.49           H   new
ATOM     37  N   ILE A   3      -6.595   6.298   0.369  1.00  5.87           N
ATOM     38  CA  ILE A   3      -5.670   5.799   1.338  1.00  5.07           C
ATOM     39  C   ILE A   3      -4.483   6.693   1.234  1.00  4.01           C
ATOM     40  O   ILE A   3      -4.334   7.437   0.266  1.00  4.61           O
ATOM     41  CB  ILE A   3      -5.285   4.353   1.222  1.00  6.55           C
ATOM     42  CG1 ILE A   3      -4.542   3.997  -0.076  1.00  4.72           C
ATOM     43  CG2 ILE A   3      -6.521   3.465   1.444  1.00  5.58           C
ATOM     44  CD1 ILE A   3      -4.071   2.544  -0.109  1.00 10.83           C
ATOM      0  H   ILE A   3      -6.287   6.125  -0.588  1.00  5.87           H   new
ATOM      0  HA  ILE A   3      -6.152   5.816   2.316  1.00  5.07           H   new
ATOM      0  HB  ILE A   3      -4.556   4.158   2.009  1.00  6.55           H   new
ATOM      0 HG12 ILE A   3      -5.198   4.181  -0.927  1.00  4.72           H   new
ATOM      0 HG13 ILE A   3      -3.681   4.656  -0.189  1.00  4.72           H   new
ATOM      0 HG21 ILE A   3      -6.236   2.416   1.359  1.00  5.58           H   new
ATOM      0 HG22 ILE A   3      -6.929   3.650   2.438  1.00  5.58           H   new
ATOM      0 HG23 ILE A   3      -7.276   3.698   0.693  1.00  5.58           H   new
ATOM      0 HD11 ILE A   3      -3.553   2.351  -1.049  1.00 10.83           H   new
ATOM      0 HD12 ILE A   3      -3.391   2.363   0.724  1.00 10.83           H   new
ATOM      0 HD13 ILE A   3      -4.932   1.881  -0.026  1.00 10.83           H   new
ATOM     56  N   PHE A   4      -3.516   6.573   2.162  1.00  4.55           N
ATOM     57  CA  PHE A   4      -2.240   7.216   2.212  1.00  4.68           C
ATOM     58  C   PHE A   4      -1.225   6.126   2.239  1.00  5.30           C
ATOM     59  O   PHE A   4      -1.482   5.030   2.736  1.00  5.58           O
ATOM     60  CB  PHE A   4      -2.000   8.020   3.501  1.00  4.83           C
ATOM     61  CG  PHE A   4      -3.004   9.114   3.624  1.00  7.97           C
ATOM     62  CD1 PHE A   4      -3.109  10.095   2.667  1.00  8.34           C
ATOM     63  CD2 PHE A   4      -3.852   9.076   4.706  1.00  6.69           C
ATOM     64  CE1 PHE A   4      -4.131  11.012   2.736  1.00 10.61           C
ATOM     65  CE2 PHE A   4      -4.781  10.078   4.861  1.00  9.10           C
ATOM     66  CZ  PHE A   4      -4.943  10.991   3.846  1.00  8.90           C
ATOM      0  H   PHE A   4      -3.647   5.956   2.964  1.00  4.55           H   new
ATOM      0  HA  PHE A   4      -2.183   7.897   1.363  1.00  4.68           H   new
ATOM      0  HB2 PHE A   4      -2.064   7.360   4.366  1.00  4.83           H   new
ATOM      0  HB3 PHE A   4      -0.994   8.440   3.494  1.00  4.83           H   new
ATOM      0  HD1 PHE A   4      -2.390  10.145   1.863  1.00  8.34           H   new
ATOM      0  HD2 PHE A   4      -3.789   8.271   5.423  1.00  6.69           H   new
ATOM      0  HE1 PHE A   4      -4.291  11.727   1.943  1.00 10.61           H   new
ATOM      0  HE2 PHE A   4      -5.372  10.146   5.762  1.00  9.10           H   new
ATOM      0  HZ  PHE A   4      -5.737  11.719   3.923  1.00  8.90           H   new
ATOM     76  N   VAL A   5      -0.033   6.331   1.651  1.00  4.44           N
ATOM     77  CA  VAL A   5       1.054   5.408   1.756  1.00  3.87           C
ATOM     78  C   VAL A   5       2.202   6.251   2.194  1.00  4.93           C
ATOM     79  O   VAL A   5       2.624   7.216   1.559  1.00  6.84           O
ATOM     80  CB  VAL A   5       1.436   4.690   0.495  1.00  2.99           C
ATOM     81  CG1 VAL A   5       2.588   3.685   0.660  1.00  5.28           C
ATOM     82  CG2 VAL A   5       0.147   4.053  -0.052  1.00  9.13           C
ATOM      0  H   VAL A   5       0.180   7.156   1.090  1.00  4.44           H   new
ATOM      0  HA  VAL A   5       0.764   4.606   2.435  1.00  3.87           H   new
ATOM      0  HB  VAL A   5       1.850   5.401  -0.220  1.00  2.99           H   new
ATOM      0 HG11 VAL A   5       2.798   3.212  -0.299  1.00  5.28           H   new
ATOM      0 HG12 VAL A   5       3.479   4.207   1.011  1.00  5.28           H   new
ATOM      0 HG13 VAL A   5       2.305   2.923   1.386  1.00  5.28           H   new
ATOM      0 HG21 VAL A   5       0.370   3.516  -0.974  1.00  9.13           H   new
ATOM      0 HG22 VAL A   5      -0.257   3.358   0.685  1.00  9.13           H   new
ATOM      0 HG23 VAL A   5      -0.587   4.833  -0.255  1.00  9.13           H   new
ATOM     92  N   LYS A   6       2.786   5.916   3.359  1.00  6.04           N
ATOM     93  CA  LYS A   6       3.779   6.650   4.080  1.00  6.12           C
ATOM     94  C   LYS A   6       5.131   6.058   3.879  1.00  6.57           C
ATOM     95  O   LYS A   6       5.327   4.862   4.087  1.00  5.76           O
ATOM     96  CB  LYS A   6       3.460   6.577   5.583  1.00  7.45           C
ATOM     97  CG  LYS A   6       4.453   7.265   6.521  1.00 11.12           C
ATOM     98  CD  LYS A   6       3.795   6.970   7.870  1.00 14.54           C
ATOM     99  CE  LYS A   6       4.565   7.587   9.040  1.00 18.84           C
ATOM    100  NZ  LYS A   6       4.082   6.955  10.288  1.00 20.55           N
ATOM      0  H   LYS A   6       2.538   5.050   3.838  1.00  6.04           H   new
ATOM      0  HA  LYS A   6       3.773   7.678   3.717  1.00  6.12           H   new
ATOM      0  HB2 LYS A   6       2.476   7.016   5.745  1.00  7.45           H   new
ATOM      0  HB3 LYS A   6       3.392   5.527   5.868  1.00  7.45           H   new
ATOM      0  HG2 LYS A   6       5.456   6.845   6.446  1.00 11.12           H   new
ATOM      0  HG3 LYS A   6       4.539   8.334   6.325  1.00 11.12           H   new
ATOM      0  HD2 LYS A   6       2.775   7.355   7.866  1.00 14.54           H   new
ATOM      0  HD3 LYS A   6       3.728   5.891   8.011  1.00 14.54           H   new
ATOM      0  HE2 LYS A   6       5.636   7.424   8.920  1.00 18.84           H   new
ATOM      0  HE3 LYS A   6       4.408   8.665   9.073  1.00 18.84           H   new
ATOM      0  HZ1 LYS A   6       4.591   7.358  11.101  1.00 20.55           H   new
ATOM      0  HZ2 LYS A   6       3.063   7.132  10.395  1.00 20.55           H   new
ATOM      0  HZ3 LYS A   6       4.252   5.930  10.246  1.00 20.55           H   new
ATOM    114  N   THR A   7       6.136   6.858   3.479  1.00  7.41           N
ATOM    115  CA  THR A   7       7.445   6.398   3.131  1.00  7.48           C
ATOM    116  C   THR A   7       8.301   6.385   4.351  1.00  8.75           C
ATOM    117  O   THR A   7       7.968   6.812   5.455  1.00  8.58           O
ATOM    118  CB  THR A   7       8.180   7.068   2.008  1.00  9.61           C
ATOM    119  OG1 THR A   7       8.703   8.347   2.338  1.00 11.78           O
ATOM    120  CG2 THR A   7       7.328   7.159   0.731  1.00  9.17           C
ATOM      0  H   THR A   7       6.032   7.869   3.395  1.00  7.41           H   new
ATOM      0  HA  THR A   7       7.250   5.407   2.722  1.00  7.48           H   new
ATOM      0  HB  THR A   7       9.035   6.419   1.818  1.00  9.61           H   new
ATOM      0  HG1 THR A   7       9.169   8.721   1.561  1.00 11.78           H   new
ATOM      0 HG21 THR A   7       7.901   7.651  -0.055  1.00  9.17           H   new
ATOM      0 HG22 THR A   7       7.053   6.156   0.405  1.00  9.17           H   new
ATOM      0 HG23 THR A   7       6.425   7.734   0.936  1.00  9.17           H   new
ATOM    128  N   LEU A   8       9.481   5.757   4.201  1.00  9.84           N
ATOM    129  CA  LEU A   8      10.622   5.839   5.058  1.00 14.15           C
ATOM    130  C   LEU A   8      11.083   7.219   5.382  1.00 17.37           C
ATOM    131  O   LEU A   8      11.352   7.450   6.560  1.00 17.01           O
ATOM    132  CB  LEU A   8      11.759   5.073   4.361  1.00 16.63           C
ATOM    133  CG  LEU A   8      11.468   3.565   4.266  1.00 18.88           C
ATOM    134  CD1 LEU A   8      12.362   2.866   3.228  1.00 18.59           C
ATOM    135  CD2 LEU A   8      11.523   2.781   5.587  1.00 19.31           C
ATOM      0  H   LEU A   8       9.649   5.137   3.409  1.00  9.84           H   new
ATOM      0  HA  LEU A   8      10.334   5.413   6.019  1.00 14.15           H   new
ATOM      0  HB2 LEU A   8      11.907   5.477   3.359  1.00 16.63           H   new
ATOM      0  HB3 LEU A   8      12.689   5.229   4.908  1.00 16.63           H   new
ATOM      0  HG  LEU A   8      10.426   3.545   3.948  1.00 18.88           H   new
ATOM      0 HD11 LEU A   8      12.120   1.804   3.196  1.00 18.59           H   new
ATOM      0 HD12 LEU A   8      12.192   3.306   2.246  1.00 18.59           H   new
ATOM      0 HD13 LEU A   8      13.409   2.992   3.505  1.00 18.59           H   new
ATOM      0 HD21 LEU A   8      11.302   1.731   5.396  1.00 19.31           H   new
ATOM      0 HD22 LEU A   8      12.519   2.869   6.021  1.00 19.31           H   new
ATOM      0 HD23 LEU A   8      10.787   3.187   6.282  1.00 19.31           H   new
ATOM    147  N   THR A   9      11.075   8.130   4.393  1.00 18.33           N
ATOM    148  CA  THR A   9      11.781   9.364   4.543  1.00 19.24           C
ATOM    149  C   THR A   9      10.895  10.453   5.044  1.00 19.48           C
ATOM    150  O   THR A   9      11.061  10.914   6.173  1.00 23.14           O
ATOM    151  CB  THR A   9      12.478   9.858   3.310  1.00 18.97           C
ATOM    152  OG1 THR A   9      11.638   9.940   2.168  1.00 20.24           O
ATOM    153  CG2 THR A   9      13.598   8.878   2.922  1.00 19.70           C
ATOM      0  H   THR A   9      10.589   8.016   3.504  1.00 18.33           H   new
ATOM      0  HA  THR A   9      12.552   9.121   5.274  1.00 19.24           H   new
ATOM      0  HB  THR A   9      12.838  10.854   3.567  1.00 18.97           H   new
ATOM      0  HG1 THR A   9      12.156  10.269   1.404  1.00 20.24           H   new
ATOM      0 HG21 THR A   9      14.103   9.239   2.026  1.00 19.70           H   new
ATOM      0 HG22 THR A   9      14.316   8.805   3.739  1.00 19.70           H   new
ATOM      0 HG23 THR A   9      13.170   7.895   2.726  1.00 19.70           H   new
ATOM    161  N   GLY A  10       9.965  10.971   4.223  1.00 19.43           N
ATOM    162  CA  GLY A  10       9.034  11.988   4.602  1.00 18.74           C
ATOM    163  C   GLY A  10       8.113  12.461   3.530  1.00 17.62           C
ATOM    164  O   GLY A  10       7.849  13.653   3.380  1.00 19.74           O
ATOM      0  H   GLY A  10       9.857  10.669   3.255  1.00 19.43           H   new
ATOM      0  HA2 GLY A  10       8.433  11.613   5.431  1.00 18.74           H   new
ATOM      0  HA3 GLY A  10       9.594  12.845   4.977  1.00 18.74           H   new
ATOM    168  N   LYS A  11       7.480  11.511   2.820  1.00 13.56           N
ATOM    169  CA  LYS A  11       6.419  11.800   1.906  1.00 11.91           C
ATOM    170  C   LYS A  11       5.112  11.163   2.229  1.00 10.18           C
ATOM    171  O   LYS A  11       5.026  10.026   2.691  1.00  9.10           O
ATOM    172  CB  LYS A  11       6.914  11.460   0.490  1.00 13.43           C
ATOM    173  CG  LYS A  11       6.065  11.973  -0.676  1.00 16.69           C
ATOM    174  CD  LYS A  11       6.675  11.642  -2.039  1.00 17.92           C
ATOM    175  CE  LYS A  11       6.723  12.823  -3.011  1.00 20.81           C
ATOM    176  NZ  LYS A  11       7.606  12.493  -4.152  1.00 21.93           N
ATOM      0  H   LYS A  11       7.710  10.519   2.882  1.00 13.56           H   new
ATOM      0  HA  LYS A  11       6.186  12.862   1.987  1.00 11.91           H   new
ATOM      0  HB2 LYS A  11       7.923  11.858   0.377  1.00 13.43           H   new
ATOM      0  HB3 LYS A  11       6.988  10.376   0.406  1.00 13.43           H   new
ATOM      0  HG2 LYS A  11       5.068  11.538  -0.613  1.00 16.69           H   new
ATOM      0  HG3 LYS A  11       5.948  13.053  -0.587  1.00 16.69           H   new
ATOM      0  HD2 LYS A  11       7.688  11.268  -1.890  1.00 17.92           H   new
ATOM      0  HD3 LYS A  11       6.101  10.835  -2.494  1.00 17.92           H   new
ATOM      0  HE2 LYS A  11       5.720  13.053  -3.370  1.00 20.81           H   new
ATOM      0  HE3 LYS A  11       7.090  13.713  -2.500  1.00 20.81           H   new
ATOM      0  HZ1 LYS A  11       7.664  13.309  -4.794  1.00 21.93           H   new
ATOM      0  HZ2 LYS A  11       8.557  12.262  -3.800  1.00 21.93           H   new
ATOM      0  HZ3 LYS A  11       7.219  11.676  -4.666  1.00 21.93           H   new
ATOM    190  N   THR A  12       3.940  11.803   2.068  1.00  9.63           N
ATOM    191  CA  THR A  12       2.639  11.234   2.240  1.00  9.85           C
ATOM    192  C   THR A  12       2.036  10.999   0.898  1.00 11.66           C
ATOM    193  O   THR A  12       1.623  11.902   0.172  1.00 12.33           O
ATOM    194  CB  THR A  12       1.588  12.041   2.942  1.00 10.85           C
ATOM    195  OG1 THR A  12       2.187  12.412   4.175  1.00 10.91           O
ATOM    196  CG2 THR A  12       0.369  11.152   3.243  1.00  9.63           C
ATOM      0  H   THR A  12       3.900  12.786   1.799  1.00  9.63           H   new
ATOM      0  HA  THR A  12       2.858  10.364   2.858  1.00  9.85           H   new
ATOM      0  HB  THR A  12       1.259  12.893   2.348  1.00 10.85           H   new
ATOM      0  HG1 THR A  12       1.555  12.950   4.697  1.00 10.91           H   new
ATOM      0 HG21 THR A  12      -0.393  11.741   3.753  1.00  9.63           H   new
ATOM      0 HG22 THR A  12      -0.037  10.763   2.309  1.00  9.63           H   new
ATOM      0 HG23 THR A  12       0.673  10.321   3.880  1.00  9.63           H   new
ATOM    204  N   ILE A  13       1.929   9.766   0.372  1.00 10.42           N
ATOM    205  CA  ILE A  13       1.527   9.450  -0.963  1.00 11.84           C
ATOM    206  C   ILE A  13       0.050   9.253  -0.958  1.00 10.55           C
ATOM    207  O   ILE A  13      -0.406   8.170  -0.593  1.00 11.92           O
ATOM    208  CB  ILE A  13       2.197   8.238  -1.540  1.00 14.86           C
ATOM    209  CG1 ILE A  13       3.725   8.401  -1.581  1.00 14.87           C
ATOM    210  CG2 ILE A  13       1.661   7.989  -2.960  1.00 17.08           C
ATOM    211  CD1 ILE A  13       4.395   7.030  -1.651  1.00 16.46           C
ATOM      0  H   ILE A  13       2.139   8.931   0.920  1.00 10.42           H   new
ATOM      0  HA  ILE A  13       1.831  10.280  -1.601  1.00 11.84           H   new
ATOM      0  HB  ILE A  13       1.972   7.386  -0.899  1.00 14.86           H   new
ATOM      0 HG12 ILE A  13       4.012   9.000  -2.445  1.00 14.87           H   new
ATOM      0 HG13 ILE A  13       4.066   8.937  -0.695  1.00 14.87           H   new
ATOM      0 HG21 ILE A  13       2.146   7.109  -3.383  1.00 17.08           H   new
ATOM      0 HG22 ILE A  13       0.584   7.826  -2.919  1.00 17.08           H   new
ATOM      0 HG23 ILE A  13       1.873   8.856  -3.586  1.00 17.08           H   new
ATOM      0 HD11 ILE A  13       5.477   7.155  -1.680  1.00 16.46           H   new
ATOM      0 HD12 ILE A  13       4.120   6.446  -0.773  1.00 16.46           H   new
ATOM      0 HD13 ILE A  13       4.066   6.510  -2.550  1.00 16.46           H   new
ATOM    223  N   THR A  14      -0.768  10.189  -1.471  1.00  9.39           N
ATOM    224  CA  THR A  14      -2.192  10.079  -1.547  1.00  9.63           C
ATOM    225  C   THR A  14      -2.719   9.307  -2.708  1.00 11.20           C
ATOM    226  O   THR A  14      -2.254   9.583  -3.813  1.00 11.63           O
ATOM    227  CB  THR A  14      -2.851  11.421  -1.670  1.00 10.38           C
ATOM    228  OG1 THR A  14      -2.335  12.327  -0.706  1.00 16.30           O
ATOM    229  CG2 THR A  14      -4.372  11.440  -1.444  1.00 11.66           C
ATOM      0  H   THR A  14      -0.418  11.068  -1.852  1.00  9.39           H   new
ATOM      0  HA  THR A  14      -2.425   9.558  -0.619  1.00  9.63           H   new
ATOM      0  HB  THR A  14      -2.639  11.699  -2.702  1.00 10.38           H   new
ATOM      0  HG1 THR A  14      -2.777  13.196  -0.805  1.00 16.30           H   new
ATOM      0 HG21 THR A  14      -4.744  12.458  -1.557  1.00 11.66           H   new
ATOM      0 HG22 THR A  14      -4.857  10.794  -2.176  1.00 11.66           H   new
ATOM      0 HG23 THR A  14      -4.595  11.081  -0.439  1.00 11.66           H   new
ATOM    237  N   LEU A  15      -3.514   8.234  -2.551  1.00  8.29           N
ATOM    238  CA  LEU A  15      -3.834   7.308  -3.593  1.00  9.03           C
ATOM    239  C   LEU A  15      -5.296   7.144  -3.829  1.00  8.59           C
ATOM    240  O   LEU A  15      -6.073   7.336  -2.895  1.00  7.79           O
ATOM    241  CB  LEU A  15      -3.303   5.937  -3.140  1.00 11.08           C
ATOM    242  CG  LEU A  15      -3.001   4.880  -4.215  1.00 15.79           C
ATOM    243  CD1 LEU A  15      -1.817   5.308  -5.099  1.00 15.27           C
ATOM    244  CD2 LEU A  15      -2.594   3.526  -3.609  1.00 15.88           C
ATOM      0  H   LEU A  15      -3.953   8.002  -1.660  1.00  8.29           H   new
ATOM      0  HA  LEU A  15      -3.394   7.686  -4.516  1.00  9.03           H   new
ATOM      0  HB2 LEU A  15      -2.387   6.106  -2.574  1.00 11.08           H   new
ATOM      0  HB3 LEU A  15      -4.031   5.510  -2.450  1.00 11.08           H   new
ATOM      0  HG  LEU A  15      -3.924   4.786  -4.786  1.00 15.79           H   new
ATOM      0 HD11 LEU A  15      -1.627   4.541  -5.850  1.00 15.27           H   new
ATOM      0 HD12 LEU A  15      -2.054   6.249  -5.594  1.00 15.27           H   new
ATOM      0 HD13 LEU A  15      -0.929   5.438  -4.480  1.00 15.27           H   new
ATOM      0 HD21 LEU A  15      -2.392   2.815  -4.410  1.00 15.88           H   new
ATOM      0 HD22 LEU A  15      -1.698   3.654  -3.002  1.00 15.88           H   new
ATOM      0 HD23 LEU A  15      -3.404   3.149  -2.985  1.00 15.88           H   new
ATOM    256  N   GLU A  16      -5.718   6.740  -5.041  1.00 11.04           N
ATOM    257  CA  GLU A  16      -7.050   6.265  -5.253  1.00 11.50           C
ATOM    258  C   GLU A  16      -7.049   4.811  -5.578  1.00 10.13           C
ATOM    259  O   GLU A  16      -6.464   4.318  -6.542  1.00  9.83           O
ATOM    260  CB  GLU A  16      -7.686   7.149  -6.340  1.00 17.22           C
ATOM    261  CG  GLU A  16      -9.093   6.686  -6.719  1.00 23.33           C
ATOM    262  CD  GLU A  16      -9.982   7.881  -7.034  1.00 26.99           C
ATOM    263  OE1 GLU A  16     -10.380   8.579  -6.063  1.00 28.86           O
ATOM    264  OE2 GLU A  16     -10.347   8.060  -8.227  1.00 28.90           O
ATOM      0  H   GLU A  16      -5.134   6.743  -5.877  1.00 11.04           H   new
ATOM      0  HA  GLU A  16      -7.654   6.346  -4.349  1.00 11.50           H   new
ATOM      0  HB2 GLU A  16      -7.728   8.180  -5.987  1.00 17.22           H   new
ATOM      0  HB3 GLU A  16      -7.053   7.141  -7.227  1.00 17.22           H   new
ATOM      0  HG2 GLU A  16      -9.044   6.024  -7.584  1.00 23.33           H   new
ATOM      0  HG3 GLU A  16      -9.525   6.110  -5.901  1.00 23.33           H   new
ATOM    271  N   VAL A  17      -7.902   4.104  -4.817  1.00  8.99           N
ATOM    272  CA  VAL A  17      -8.185   2.702  -4.803  1.00  8.85           C
ATOM    273  C   VAL A  17      -9.613   2.530  -4.415  1.00  8.04           C
ATOM    274  O   VAL A  17     -10.225   3.498  -3.965  1.00  8.99           O
ATOM    275  CB  VAL A  17      -7.427   1.925  -3.767  1.00  9.78           C
ATOM    276  CG1 VAL A  17      -5.942   1.923  -4.170  1.00 12.05           C
ATOM    277  CG2 VAL A  17      -7.700   2.311  -2.304  1.00 10.54           C
ATOM      0  H   VAL A  17      -8.468   4.585  -4.118  1.00  8.99           H   new
ATOM      0  HA  VAL A  17      -7.916   2.337  -5.794  1.00  8.85           H   new
ATOM      0  HB  VAL A  17      -7.803   0.902  -3.766  1.00  9.78           H   new
ATOM      0 HG11 VAL A  17      -5.366   1.364  -3.433  1.00 12.05           H   new
ATOM      0 HG12 VAL A  17      -5.831   1.455  -5.148  1.00 12.05           H   new
ATOM      0 HG13 VAL A  17      -5.576   2.949  -4.215  1.00 12.05           H   new
ATOM      0 HG21 VAL A  17      -7.099   1.685  -1.644  1.00 10.54           H   new
ATOM      0 HG22 VAL A  17      -7.439   3.358  -2.149  1.00 10.54           H   new
ATOM      0 HG23 VAL A  17      -8.757   2.164  -2.080  1.00 10.54           H   new
ATOM    287  N   GLU A  18     -10.140   1.298  -4.534  1.00  7.29           N
ATOM    288  CA  GLU A  18     -11.394   0.979  -3.926  1.00  7.08           C
ATOM    289  C   GLU A  18     -11.148  -0.148  -2.984  1.00  6.45           C
ATOM    290  O   GLU A  18     -10.089  -0.770  -3.053  1.00  5.28           O
ATOM    291  CB  GLU A  18     -12.518   0.610  -4.909  1.00 10.28           C
ATOM    292  CG  GLU A  18     -12.352  -0.659  -5.748  1.00 12.65           C
ATOM    293  CD  GLU A  18     -13.467  -0.999  -6.727  1.00 14.15           C
ATOM    294  OE1 GLU A  18     -14.236  -0.087  -7.132  1.00 14.33           O
ATOM    295  OE2 GLU A  18     -13.367  -2.128  -7.278  1.00 18.17           O
ATOM      0  H   GLU A  18      -9.704   0.531  -5.045  1.00  7.29           H   new
ATOM      0  HA  GLU A  18     -11.756   1.877  -3.425  1.00  7.08           H   new
ATOM      0  HB2 GLU A  18     -13.442   0.515  -4.339  1.00 10.28           H   new
ATOM      0  HB3 GLU A  18     -12.651   1.448  -5.594  1.00 10.28           H   new
ATOM      0  HG2 GLU A  18     -11.423  -0.572  -6.312  1.00 12.65           H   new
ATOM      0  HG3 GLU A  18     -12.233  -1.501  -5.066  1.00 12.65           H   new
ATOM    302  N   PRO A  19     -11.979  -0.526  -2.058  1.00  7.24           N
ATOM    303  CA  PRO A  19     -11.620  -1.510  -1.079  1.00  7.07           C
ATOM    304  C   PRO A  19     -11.458  -2.919  -1.537  1.00  6.65           C
ATOM    305  O   PRO A  19     -10.848  -3.823  -0.969  1.00  6.37           O
ATOM    306  CB  PRO A  19     -12.633  -1.421   0.060  1.00  7.61           C
ATOM    307  CG  PRO A  19     -13.353  -0.077  -0.133  1.00  8.16           C
ATOM    308  CD  PRO A  19     -13.140   0.235  -1.622  1.00  7.49           C
ATOM      0  HA  PRO A  19     -10.605  -1.257  -0.771  1.00  7.07           H   new
ATOM      0  HB2 PRO A  19     -13.337  -2.252   0.024  1.00  7.61           H   new
ATOM      0  HB3 PRO A  19     -12.138  -1.465   1.030  1.00  7.61           H   new
ATOM      0  HG2 PRO A  19     -14.412  -0.150   0.114  1.00  8.16           H   new
ATOM      0  HG3 PRO A  19     -12.930   0.700   0.504  1.00  8.16           H   new
ATOM      0  HD2 PRO A  19     -14.021  -0.040  -2.203  1.00  7.49           H   new
ATOM      0  HD3 PRO A  19     -12.979   1.303  -1.772  1.00  7.49           H   new
ATOM    316  N   SER A  20     -12.111  -3.137  -2.692  1.00  6.80           N
ATOM    317  CA  SER A  20     -12.116  -4.364  -3.427  1.00  6.28           C
ATOM    318  C   SER A  20     -10.881  -4.572  -4.234  1.00  8.45           C
ATOM    319  O   SER A  20     -10.701  -5.600  -4.885  1.00  7.26           O
ATOM    320  CB  SER A  20     -13.213  -4.517  -4.494  1.00  8.57           C
ATOM    321  OG  SER A  20     -14.502  -4.339  -3.925  1.00 11.13           O
ATOM      0  H   SER A  20     -12.670  -2.411  -3.140  1.00  6.80           H   new
ATOM      0  HA  SER A  20     -12.252  -5.068  -2.606  1.00  6.28           H   new
ATOM      0  HB2 SER A  20     -13.058  -3.787  -5.288  1.00  8.57           H   new
ATOM      0  HB3 SER A  20     -13.146  -5.504  -4.951  1.00  8.57           H   new
ATOM      0  HG  SER A  20     -15.184  -4.439  -4.622  1.00 11.13           H   new
ATOM    327  N   ASP A  21      -9.981  -3.573  -4.262  1.00  7.50           N
ATOM    328  CA  ASP A  21      -8.717  -3.751  -4.907  1.00  7.70           C
ATOM    329  C   ASP A  21      -7.727  -4.522  -4.104  1.00  7.08           C
ATOM    330  O   ASP A  21      -7.626  -4.458  -2.880  1.00  8.11           O
ATOM    331  CB  ASP A  21      -7.876  -2.488  -5.153  1.00 11.00           C
ATOM    332  CG  ASP A  21      -8.578  -1.597  -6.168  1.00 15.32           C
ATOM    333  OD1 ASP A  21      -8.975  -2.093  -7.256  1.00 18.03           O
ATOM    334  OD2 ASP A  21      -8.569  -0.354  -5.965  1.00 14.36           O
ATOM      0  H   ASP A  21     -10.125  -2.654  -3.844  1.00  7.50           H   new
ATOM      0  HA  ASP A  21      -9.078  -4.223  -5.821  1.00  7.70           H   new
ATOM      0  HB2 ASP A  21      -7.731  -1.947  -4.218  1.00 11.00           H   new
ATOM      0  HB3 ASP A  21      -6.887  -2.763  -5.518  1.00 11.00           H   new
ATOM    339  N   THR A  22      -6.920  -5.357  -4.782  1.00  5.37           N
ATOM    340  CA  THR A  22      -6.064  -6.345  -4.201  1.00  6.01           C
ATOM    341  C   THR A  22      -4.720  -5.786  -3.885  1.00  8.01           C
ATOM    342  O   THR A  22      -4.315  -4.817  -4.526  1.00  8.11           O
ATOM    343  CB  THR A  22      -5.808  -7.505  -5.117  1.00  8.92           C
ATOM    344  OG1 THR A  22      -5.653  -7.096  -6.468  1.00 10.22           O
ATOM    345  CG2 THR A  22      -6.958  -8.526  -5.114  1.00  9.65           C
ATOM      0  H   THR A  22      -6.862  -5.341  -5.800  1.00  5.37           H   new
ATOM      0  HA  THR A  22      -6.592  -6.671  -3.305  1.00  6.01           H   new
ATOM      0  HB  THR A  22      -4.892  -7.955  -4.734  1.00  8.92           H   new
ATOM      0  HG1 THR A  22      -5.486  -7.881  -7.030  1.00 10.22           H   new
ATOM      0 HG21 THR A  22      -6.720  -9.344  -5.794  1.00  9.65           H   new
ATOM      0 HG22 THR A  22      -7.093  -8.919  -4.106  1.00  9.65           H   new
ATOM      0 HG23 THR A  22      -7.877  -8.039  -5.440  1.00  9.65           H   new
ATOM    353  N   ILE A  23      -3.939  -6.351  -2.947  1.00  8.32           N
ATOM    354  CA  ILE A  23      -2.660  -5.789  -2.643  1.00  9.92           C
ATOM    355  C   ILE A  23      -1.631  -5.736  -3.720  1.00 10.01           C
ATOM    356  O   ILE A  23      -0.981  -4.696  -3.805  1.00  8.71           O
ATOM    357  CB  ILE A  23      -2.001  -6.338  -1.412  1.00 10.78           C
ATOM    358  CG1 ILE A  23      -2.901  -6.345  -0.165  1.00 11.38           C
ATOM    359  CG2 ILE A  23      -0.729  -5.551  -1.052  1.00 10.90           C
ATOM    360  CD1 ILE A  23      -3.660  -5.121   0.344  1.00 12.30           C
ATOM      0  H   ILE A  23      -4.186  -7.181  -2.408  1.00  8.32           H   new
ATOM      0  HA  ILE A  23      -2.993  -4.764  -2.480  1.00  9.92           H   new
ATOM      0  HB  ILE A  23      -1.767  -7.369  -1.677  1.00 10.78           H   new
ATOM      0 HG12 ILE A  23      -3.649  -7.120  -0.333  1.00 11.38           H   new
ATOM      0 HG13 ILE A  23      -2.275  -6.681   0.661  1.00 11.38           H   new
ATOM      0 HG21 ILE A  23      -0.279  -5.977  -0.155  1.00 10.90           H   new
ATOM      0 HG22 ILE A  23      -0.019  -5.609  -1.877  1.00 10.90           H   new
ATOM      0 HG23 ILE A  23      -0.986  -4.508  -0.868  1.00 10.90           H   new
ATOM      0 HD11 ILE A  23      -4.222  -5.388   1.239  1.00 12.30           H   new
ATOM      0 HD12 ILE A  23      -2.952  -4.327   0.583  1.00 12.30           H   new
ATOM      0 HD13 ILE A  23      -4.348  -4.773  -0.427  1.00 12.30           H   new
ATOM    372  N   GLU A  24      -1.616  -6.738  -4.617  1.00  9.54           N
ATOM    373  CA  GLU A  24      -0.984  -6.692  -5.900  1.00 11.81           C
ATOM    374  C   GLU A  24      -1.147  -5.495  -6.771  1.00 11.14           C
ATOM    375  O   GLU A  24      -0.261  -4.938  -7.417  1.00 10.62           O
ATOM    376  CB  GLU A  24      -1.507  -7.943  -6.626  1.00 19.24           C
ATOM    377  CG  GLU A  24      -1.095  -8.122  -8.089  1.00 27.76           C
ATOM    378  CD  GLU A  24       0.355  -8.401  -8.457  1.00 32.92           C
ATOM    379  OE1 GLU A  24       0.989  -9.210  -7.729  1.00 36.51           O
ATOM    380  OE2 GLU A  24       0.792  -8.045  -9.584  1.00 34.80           O
ATOM      0  H   GLU A  24      -2.072  -7.632  -4.436  1.00  9.54           H   new
ATOM      0  HA  GLU A  24       0.088  -6.642  -5.707  1.00 11.81           H   new
ATOM      0  HB2 GLU A  24      -1.175  -8.820  -6.071  1.00 19.24           H   new
ATOM      0  HB3 GLU A  24      -2.596  -7.931  -6.580  1.00 19.24           H   new
ATOM      0  HG2 GLU A  24      -1.692  -8.940  -8.493  1.00 27.76           H   new
ATOM      0  HG3 GLU A  24      -1.393  -7.218  -8.619  1.00 27.76           H   new
ATOM    387  N   ASN A  25      -2.424  -5.079  -6.837  1.00  9.43           N
ATOM    388  CA  ASN A  25      -2.951  -3.993  -7.604  1.00 10.96           C
ATOM    389  C   ASN A  25      -2.553  -2.681  -7.020  1.00  9.68           C
ATOM    390  O   ASN A  25      -2.128  -1.768  -7.726  1.00  9.33           O
ATOM    391  CB  ASN A  25      -4.466  -4.205  -7.770  1.00 16.78           C
ATOM    392  CG  ASN A  25      -5.039  -3.502  -8.992  1.00 22.31           C
ATOM    393  OD1 ASN A  25      -4.560  -2.402  -9.265  1.00 25.66           O
ATOM    394  ND2 ASN A  25      -6.098  -4.094  -9.606  1.00 24.70           N
ATOM      0  H   ASN A  25      -3.155  -5.549  -6.302  1.00  9.43           H   new
ATOM      0  HA  ASN A  25      -2.524  -3.973  -8.607  1.00 10.96           H   new
ATOM      0  HB2 ASN A  25      -4.671  -5.273  -7.844  1.00 16.78           H   new
ATOM      0  HB3 ASN A  25      -4.977  -3.843  -6.878  1.00 16.78           H   new
ATOM      0 HD21 ASN A  25      -6.574  -3.619 -10.373  1.00 24.70           H   new
ATOM      0 HD22 ASN A  25      -6.416  -5.013  -9.300  1.00 24.70           H   new
ATOM    401  N   VAL A  26      -2.684  -2.608  -5.684  1.00  6.52           N
ATOM    402  CA  VAL A  26      -2.311  -1.452  -4.928  1.00  5.53           C
ATOM    403  C   VAL A  26      -0.899  -1.013  -5.111  1.00  4.42           C
ATOM    404  O   VAL A  26      -0.601   0.131  -5.450  1.00  3.40           O
ATOM    405  CB  VAL A  26      -2.604  -1.652  -3.471  1.00  3.86           C
ATOM    406  CG1 VAL A  26      -2.299  -0.441  -2.574  1.00  7.25           C
ATOM    407  CG2 VAL A  26      -4.125  -1.805  -3.300  1.00  8.12           C
ATOM      0  H   VAL A  26      -3.057  -3.368  -5.116  1.00  6.52           H   new
ATOM      0  HA  VAL A  26      -2.925  -0.645  -5.328  1.00  5.53           H   new
ATOM      0  HB  VAL A  26      -1.987  -2.504  -3.184  1.00  3.86           H   new
ATOM      0 HG11 VAL A  26      -2.544  -0.683  -1.540  1.00  7.25           H   new
ATOM      0 HG12 VAL A  26      -1.241  -0.191  -2.648  1.00  7.25           H   new
ATOM      0 HG13 VAL A  26      -2.896   0.411  -2.898  1.00  7.25           H   new
ATOM      0 HG21 VAL A  26      -4.360  -1.952  -2.246  1.00  8.12           H   new
ATOM      0 HG22 VAL A  26      -4.624  -0.906  -3.661  1.00  8.12           H   new
ATOM      0 HG23 VAL A  26      -4.471  -2.666  -3.872  1.00  8.12           H   new
ATOM    417  N   LYS A  27       0.030  -1.981  -5.007  1.00  2.64           N
ATOM    418  CA  LYS A  27       1.424  -1.864  -5.305  1.00  4.14           C
ATOM    419  C   LYS A  27       1.746  -1.361  -6.670  1.00  5.58           C
ATOM    420  O   LYS A  27       2.563  -0.456  -6.829  1.00  4.11           O
ATOM    421  CB  LYS A  27       2.114  -3.212  -5.040  1.00  3.97           C
ATOM    422  CG  LYS A  27       2.089  -3.675  -3.581  1.00  7.45           C
ATOM    423  CD  LYS A  27       2.931  -4.909  -3.253  1.00  9.02           C
ATOM    424  CE  LYS A  27       2.405  -6.100  -4.057  1.00 12.90           C
ATOM    425  NZ  LYS A  27       3.446  -7.152  -4.063  1.00 15.47           N
ATOM      0  H   LYS A  27      -0.215  -2.919  -4.689  1.00  2.64           H   new
ATOM      0  HA  LYS A  27       1.809  -1.092  -4.639  1.00  4.14           H   new
ATOM      0  HB2 LYS A  27       1.637  -3.975  -5.656  1.00  3.97           H   new
ATOM      0  HB3 LYS A  27       3.152  -3.142  -5.366  1.00  3.97           H   new
ATOM      0  HG2 LYS A  27       2.429  -2.851  -2.954  1.00  7.45           H   new
ATOM      0  HG3 LYS A  27       1.055  -3.881  -3.304  1.00  7.45           H   new
ATOM      0  HD2 LYS A  27       3.978  -4.725  -3.494  1.00  9.02           H   new
ATOM      0  HD3 LYS A  27       2.883  -5.125  -2.186  1.00  9.02           H   new
ATOM      0  HE2 LYS A  27       1.484  -6.480  -3.615  1.00 12.90           H   new
ATOM      0  HE3 LYS A  27       2.167  -5.795  -5.076  1.00 12.90           H   new
ATOM      0  HZ1 LYS A  27       3.030  -8.054  -3.753  1.00 15.47           H   new
ATOM      0  HZ2 LYS A  27       3.826  -7.258  -5.025  1.00 15.47           H   new
ATOM      0  HZ3 LYS A  27       4.214  -6.884  -3.415  1.00 15.47           H   new
ATOM    439  N   ALA A  28       1.073  -1.850  -7.727  1.00  6.61           N
ATOM    440  CA  ALA A  28       1.009  -1.178  -8.988  1.00  7.74           C
ATOM    441  C   ALA A  28       0.673   0.272  -9.046  1.00  9.17           C
ATOM    442  O   ALA A  28       1.329   1.068  -9.715  1.00 11.45           O
ATOM    443  CB  ALA A  28       0.252  -2.029 -10.022  1.00  7.68           C
ATOM      0  H   ALA A  28       0.562  -2.732  -7.705  1.00  6.61           H   new
ATOM      0  HA  ALA A  28       2.063  -1.100  -9.255  1.00  7.74           H   new
ATOM      0  HB1 ALA A  28       0.216  -1.498 -10.973  1.00  7.68           H   new
ATOM      0  HB2 ALA A  28       0.766  -2.981 -10.157  1.00  7.68           H   new
ATOM      0  HB3 ALA A  28      -0.763  -2.212  -9.670  1.00  7.68           H   new
ATOM    449  N   LYS A  29      -0.360   0.753  -8.330  1.00  8.96           N
ATOM    450  CA  LYS A  29      -0.640   2.154  -8.285  1.00  7.90           C
ATOM    451  C   LYS A  29       0.370   2.974  -7.557  1.00  6.92           C
ATOM    452  O   LYS A  29       0.738   4.072  -7.971  1.00  6.87           O
ATOM    453  CB  LYS A  29      -1.992   2.317  -7.570  1.00 10.28           C
ATOM    454  CG  LYS A  29      -3.129   1.561  -8.259  1.00 14.94           C
ATOM    455  CD  LYS A  29      -4.468   1.608  -7.519  1.00 19.69           C
ATOM    456  CE  LYS A  29      -5.446   0.488  -7.879  1.00 22.63           C
ATOM    457  NZ  LYS A  29      -5.797   0.500  -9.317  1.00 24.98           N
ATOM      0  H   LYS A  29      -0.999   0.174  -7.785  1.00  8.96           H   new
ATOM      0  HA  LYS A  29      -0.634   2.516  -9.313  1.00  7.90           H   new
ATOM      0  HB2 LYS A  29      -1.898   1.964  -6.543  1.00 10.28           H   new
ATOM      0  HB3 LYS A  29      -2.245   3.376  -7.521  1.00 10.28           H   new
ATOM      0  HG2 LYS A  29      -3.267   1.972  -9.259  1.00 14.94           H   new
ATOM      0  HG3 LYS A  29      -2.833   0.519  -8.381  1.00 14.94           H   new
ATOM      0  HD2 LYS A  29      -4.275   1.570  -6.447  1.00 19.69           H   new
ATOM      0  HD3 LYS A  29      -4.945   2.566  -7.723  1.00 19.69           H   new
ATOM      0  HE2 LYS A  29      -5.005  -0.475  -7.621  1.00 22.63           H   new
ATOM      0  HE3 LYS A  29      -6.353   0.593  -7.283  1.00 22.63           H   new
ATOM      0  HZ1 LYS A  29      -6.827   0.598  -9.422  1.00 24.98           H   new
ATOM      0  HZ2 LYS A  29      -5.324   1.300  -9.783  1.00 24.98           H   new
ATOM      0  HZ3 LYS A  29      -5.487  -0.390  -9.757  1.00 24.98           H   new
ATOM    471  N   ILE A  30       0.867   2.296  -6.508  1.00  4.57           N
ATOM    472  CA  ILE A  30       1.964   2.818  -5.752  1.00  5.58           C
ATOM    473  C   ILE A  30       3.099   3.198  -6.640  1.00  7.26           C
ATOM    474  O   ILE A  30       3.670   4.286  -6.589  1.00  9.46           O
ATOM    475  CB  ILE A  30       2.365   2.036  -4.537  1.00  5.36           C
ATOM    476  CG1 ILE A  30       1.263   2.264  -3.489  1.00  2.94           C
ATOM    477  CG2 ILE A  30       3.751   2.535  -4.095  1.00  2.78           C
ATOM    478  CD1 ILE A  30       1.448   1.188  -2.421  1.00  2.00           C
ATOM      0  H   ILE A  30       0.514   1.395  -6.185  1.00  4.57           H   new
ATOM      0  HA  ILE A  30       1.584   3.733  -5.297  1.00  5.58           H   new
ATOM      0  HB  ILE A  30       2.454   0.963  -4.708  1.00  5.36           H   new
ATOM      0 HG12 ILE A  30       1.342   3.260  -3.053  1.00  2.94           H   new
ATOM      0 HG13 ILE A  30       0.275   2.193  -3.944  1.00  2.94           H   new
ATOM      0 HG21 ILE A  30       4.071   1.984  -3.211  1.00  2.78           H   new
ATOM      0 HG22 ILE A  30       4.468   2.377  -4.900  1.00  2.78           H   new
ATOM      0 HG23 ILE A  30       3.697   3.598  -3.860  1.00  2.78           H   new
ATOM      0 HD11 ILE A  30       0.687   1.306  -1.650  1.00  2.00           H   new
ATOM      0 HD12 ILE A  30       1.353   0.203  -2.877  1.00  2.00           H   new
ATOM      0 HD13 ILE A  30       2.437   1.286  -1.973  1.00  2.00           H   new
ATOM    490  N   GLN A  31       3.513   2.298  -7.550  1.00  7.06           N
ATOM    491  CA  GLN A  31       4.565   2.389  -8.514  1.00  8.67           C
ATOM    492  C   GLN A  31       4.361   3.428  -9.562  1.00 10.90           C
ATOM    493  O   GLN A  31       5.256   3.930 -10.241  1.00  9.63           O
ATOM    494  CB  GLN A  31       4.771   0.989  -9.118  1.00  9.12           C
ATOM    495  CG  GLN A  31       6.035   0.804  -9.959  1.00 10.76           C
ATOM    496  CD  GLN A  31       6.028  -0.240 -11.067  1.00 13.78           C
ATOM    497  OE1 GLN A  31       5.259  -1.198 -11.116  1.00 14.48           O
ATOM    498  NE2 GLN A  31       7.051  -0.126 -11.956  1.00 14.76           N
ATOM      0  H   GLN A  31       3.047   1.393  -7.614  1.00  7.06           H   new
ATOM      0  HA  GLN A  31       5.465   2.726  -8.000  1.00  8.67           H   new
ATOM      0  HB2 GLN A  31       4.789   0.263  -8.305  1.00  9.12           H   new
ATOM      0  HB3 GLN A  31       3.907   0.751  -9.739  1.00  9.12           H   new
ATOM      0  HG2 GLN A  31       6.274   1.766 -10.412  1.00 10.76           H   new
ATOM      0  HG3 GLN A  31       6.852   0.560  -9.280  1.00 10.76           H   new
ATOM      0 HE21 GLN A  31       7.683   0.673 -11.906  1.00 14.76           H   new
ATOM      0 HE22 GLN A  31       7.186  -0.839 -12.672  1.00 14.76           H   new
ATOM    507  N   ASP A  32       3.107   3.819  -9.850  1.00 10.93           N
ATOM    508  CA  ASP A  32       2.927   4.975 -10.672  1.00 14.01           C
ATOM    509  C   ASP A  32       3.352   6.221  -9.975  1.00 14.04           C
ATOM    510  O   ASP A  32       3.766   7.239 -10.528  1.00 13.39           O
ATOM    511  CB  ASP A  32       1.476   4.996 -11.180  1.00 18.01           C
ATOM    512  CG  ASP A  32       1.208   6.101 -12.192  1.00 24.33           C
ATOM    513  OD1 ASP A  32       1.628   6.059 -13.380  1.00 26.29           O
ATOM    514  OD2 ASP A  32       0.492   7.066 -11.814  1.00 25.17           O
ATOM      0  H   ASP A  32       2.254   3.360  -9.531  1.00 10.93           H   new
ATOM      0  HA  ASP A  32       3.579   4.924 -11.544  1.00 14.01           H   new
ATOM      0  HB2 ASP A  32       1.243   4.033 -11.634  1.00 18.01           H   new
ATOM      0  HB3 ASP A  32       0.803   5.119 -10.331  1.00 18.01           H   new
ATOM    519  N   LYS A  33       3.229   6.281  -8.637  1.00 14.22           N
ATOM    520  CA  LYS A  33       3.477   7.458  -7.863  1.00 14.00           C
ATOM    521  C   LYS A  33       4.952   7.587  -7.700  1.00 12.37           C
ATOM    522  O   LYS A  33       5.536   8.529  -8.235  1.00 12.17           O
ATOM    523  CB  LYS A  33       2.847   7.530  -6.462  1.00 18.62           C
ATOM    524  CG  LYS A  33       1.334   7.316  -6.546  1.00 24.00           C
ATOM    525  CD  LYS A  33       0.601   8.599  -6.941  1.00 27.61           C
ATOM    526  CE  LYS A  33      -0.880   8.303  -7.185  1.00 27.64           C
ATOM    527  NZ  LYS A  33      -1.466   9.482  -7.861  1.00 30.06           N
ATOM      0  H   LYS A  33       2.946   5.480  -8.073  1.00 14.22           H   new
ATOM      0  HA  LYS A  33       3.001   8.263  -8.423  1.00 14.00           H   new
ATOM      0  HB2 LYS A  33       3.293   6.773  -5.817  1.00 18.62           H   new
ATOM      0  HB3 LYS A  33       3.059   8.499  -6.010  1.00 18.62           H   new
ATOM      0  HG2 LYS A  33       1.117   6.534  -7.274  1.00 24.00           H   new
ATOM      0  HG3 LYS A  33       0.962   6.966  -5.583  1.00 24.00           H   new
ATOM      0  HD2 LYS A  33       0.706   9.345  -6.153  1.00 27.61           H   new
ATOM      0  HD3 LYS A  33       1.049   9.021  -7.841  1.00 27.61           H   new
ATOM      0  HE2 LYS A  33      -0.996   7.411  -7.801  1.00 27.64           H   new
ATOM      0  HE3 LYS A  33      -1.392   8.108  -6.243  1.00 27.64           H   new
ATOM      0  HZ1 LYS A  33      -2.476   9.312  -8.042  1.00 30.06           H   new
ATOM      0  HZ2 LYS A  33      -1.359  10.319  -7.253  1.00 30.06           H   new
ATOM      0  HZ3 LYS A  33      -0.975   9.644  -8.764  1.00 30.06           H   new
ATOM    541  N   GLU A  34       5.590   6.657  -6.967  1.00 10.11           N
ATOM    542  CA  GLU A  34       6.971   6.681  -6.595  1.00 10.07           C
ATOM    543  C   GLU A  34       7.498   5.411  -7.168  1.00  9.32           C
ATOM    544  O   GLU A  34       6.826   4.384  -7.238  1.00 11.61           O
ATOM    545  CB  GLU A  34       7.062   6.597  -5.062  1.00 14.77           C
ATOM    546  CG  GLU A  34       6.576   7.948  -4.533  1.00 18.75           C
ATOM    547  CD  GLU A  34       7.576   9.069  -4.781  1.00 22.28           C
ATOM    548  OE1 GLU A  34       8.761   8.874  -4.402  1.00 25.19           O
ATOM    549  OE2 GLU A  34       7.187  10.179  -5.234  1.00 21.95           O
ATOM      0  H   GLU A  34       5.107   5.832  -6.610  1.00 10.11           H   new
ATOM      0  HA  GLU A  34       7.503   7.570  -6.934  1.00 10.07           H   new
ATOM      0  HB2 GLU A  34       6.445   5.784  -4.679  1.00 14.77           H   new
ATOM      0  HB3 GLU A  34       8.085   6.399  -4.743  1.00 14.77           H   new
ATOM      0  HG2 GLU A  34       5.628   8.200  -5.008  1.00 18.75           H   new
ATOM      0  HG3 GLU A  34       6.385   7.867  -3.463  1.00 18.75           H   new
ATOM    556  N   GLY A  35       8.766   5.478  -7.613  1.00  7.22           N
ATOM    557  CA  GLY A  35       9.379   4.440  -8.382  1.00  6.29           C
ATOM    558  C   GLY A  35       9.912   3.333  -7.538  1.00  6.93           C
ATOM    559  O   GLY A  35      11.134   3.235  -7.437  1.00  7.41           O
ATOM      0  H   GLY A  35       9.380   6.273  -7.434  1.00  7.22           H   new
ATOM      0  HA2 GLY A  35       8.650   4.036  -9.085  1.00  6.29           H   new
ATOM      0  HA3 GLY A  35      10.191   4.863  -8.973  1.00  6.29           H   new
ATOM    563  N   ILE A  36       8.998   2.628  -6.848  1.00  5.86           N
ATOM    564  CA  ILE A  36       9.311   1.617  -5.887  1.00  6.07           C
ATOM    565  C   ILE A  36       8.904   0.296  -6.443  1.00  6.36           C
ATOM    566  O   ILE A  36       7.688   0.286  -6.629  1.00  6.18           O
ATOM    567  CB  ILE A  36       8.746   1.916  -4.530  1.00  7.47           C
ATOM    568  CG1 ILE A  36       9.103   3.350  -4.103  1.00  8.52           C
ATOM    569  CG2 ILE A  36       9.224   0.830  -3.552  1.00  7.36           C
ATOM    570  CD1 ILE A  36      10.484   3.589  -3.495  1.00  9.49           C
ATOM      0  H   ILE A  36       7.995   2.770  -6.966  1.00  5.86           H   new
ATOM      0  HA  ILE A  36      10.387   1.592  -5.713  1.00  6.07           H   new
ATOM      0  HB  ILE A  36       7.657   1.884  -4.541  1.00  7.47           H   new
ATOM      0 HG12 ILE A  36       9.006   3.994  -4.977  1.00  8.52           H   new
ATOM      0 HG13 ILE A  36       8.357   3.680  -3.380  1.00  8.52           H   new
ATOM      0 HG21 ILE A  36       8.822   1.032  -2.559  1.00  7.36           H   new
ATOM      0 HG22 ILE A  36       8.876  -0.145  -3.893  1.00  7.36           H   new
ATOM      0 HG23 ILE A  36      10.313   0.832  -3.510  1.00  7.36           H   new
ATOM      0 HD11 ILE A  36      10.593   4.644  -3.243  1.00  9.49           H   new
ATOM      0 HD12 ILE A  36      10.593   2.987  -2.593  1.00  9.49           H   new
ATOM      0 HD13 ILE A  36      11.252   3.306  -4.215  1.00  9.49           H   new
ATOM    582  N   PRO A  37       9.716  -0.640  -6.834  1.00  8.65           N
ATOM    583  CA  PRO A  37       9.329  -1.860  -7.481  1.00  9.18           C
ATOM    584  C   PRO A  37       8.325  -2.679  -6.746  1.00  9.85           C
ATOM    585  O   PRO A  37       8.528  -2.819  -5.541  1.00  8.51           O
ATOM    586  CB  PRO A  37      10.614  -2.622  -7.797  1.00 11.42           C
ATOM    587  CG  PRO A  37      11.628  -1.475  -7.933  1.00  9.27           C
ATOM    588  CD  PRO A  37      11.156  -0.445  -6.895  1.00  8.33           C
ATOM      0  HA  PRO A  37       8.787  -1.615  -8.394  1.00  9.18           H   new
ATOM      0  HB2 PRO A  37      10.885  -3.316  -7.002  1.00 11.42           H   new
ATOM      0  HB3 PRO A  37      10.530  -3.205  -8.714  1.00 11.42           H   new
ATOM      0  HG2 PRO A  37      12.644  -1.813  -7.728  1.00  9.27           H   new
ATOM      0  HG3 PRO A  37      11.627  -1.058  -8.940  1.00  9.27           H   new
ATOM      0  HD2 PRO A  37      11.623  -0.614  -5.925  1.00  8.33           H   new
ATOM      0  HD3 PRO A  37      11.409   0.571  -7.198  1.00  8.33           H   new
ATOM    596  N   PRO A  38       7.285  -3.249  -7.279  1.00  8.71           N
ATOM    597  CA  PRO A  38       6.343  -3.972  -6.475  1.00  9.08           C
ATOM    598  C   PRO A  38       6.867  -5.162  -5.748  1.00  9.28           C
ATOM    599  O   PRO A  38       6.271  -5.679  -4.804  1.00  6.50           O
ATOM    600  CB  PRO A  38       5.243  -4.422  -7.433  1.00 10.31           C
ATOM    601  CG  PRO A  38       5.992  -4.490  -8.773  1.00 10.81           C
ATOM    602  CD  PRO A  38       7.051  -3.378  -8.710  1.00 12.00           C
ATOM      0  HA  PRO A  38       6.016  -3.302  -5.680  1.00  9.08           H   new
ATOM      0  HB2 PRO A  38       4.826  -5.388  -7.150  1.00 10.31           H   new
ATOM      0  HB3 PRO A  38       4.415  -3.714  -7.464  1.00 10.31           H   new
ATOM      0  HG2 PRO A  38       6.456  -5.466  -8.914  1.00 10.81           H   new
ATOM      0  HG3 PRO A  38       5.312  -4.337  -9.611  1.00 10.81           H   new
ATOM      0  HD2 PRO A  38       7.959  -3.651  -9.247  1.00 12.00           H   new
ATOM      0  HD3 PRO A  38       6.690  -2.448  -9.148  1.00 12.00           H   new
ATOM    610  N   ASP A  39       8.020  -5.692  -6.194  1.00 11.20           N
ATOM    611  CA  ASP A  39       8.630  -6.770  -5.479  1.00 14.96           C
ATOM    612  C   ASP A  39       9.433  -6.289  -4.320  1.00 13.99           C
ATOM    613  O   ASP A  39       9.668  -7.062  -3.393  1.00 13.75           O
ATOM    614  CB  ASP A  39       9.560  -7.534  -6.437  1.00 24.16           C
ATOM    615  CG  ASP A  39      10.541  -6.622  -7.160  1.00 31.06           C
ATOM    616  OD1 ASP A  39      10.009  -5.987  -8.109  1.00 34.22           O
ATOM    617  OD2 ASP A  39      11.770  -6.503  -6.907  1.00 35.55           O
ATOM      0  H   ASP A  39       8.520  -5.384  -7.028  1.00 11.20           H   new
ATOM      0  HA  ASP A  39       7.836  -7.412  -5.097  1.00 14.96           H   new
ATOM      0  HB2 ASP A  39      10.116  -8.285  -5.875  1.00 24.16           H   new
ATOM      0  HB3 ASP A  39       8.958  -8.068  -7.172  1.00 24.16           H   new
ATOM    622  N   GLN A  40       9.808  -5.001  -4.211  1.00 11.60           N
ATOM    623  CA  GLN A  40      10.624  -4.448  -3.176  1.00 10.76           C
ATOM    624  C   GLN A  40       9.695  -3.804  -2.205  1.00  8.01           C
ATOM    625  O   GLN A  40      10.139  -3.339  -1.156  1.00  8.96           O
ATOM    626  CB  GLN A  40      11.694  -3.467  -3.682  1.00 11.14           C
ATOM    627  CG  GLN A  40      12.765  -4.347  -4.330  1.00 14.85           C
ATOM    628  CD  GLN A  40      13.809  -3.415  -4.929  1.00 16.11           C
ATOM    629  OE1 GLN A  40      14.118  -2.447  -4.236  1.00 20.52           O
ATOM    630  NE2 GLN A  40      14.361  -3.659  -6.148  1.00 18.16           N
ATOM      0  H   GLN A  40       9.520  -4.300  -4.894  1.00 11.60           H   new
ATOM      0  HA  GLN A  40      11.204  -5.244  -2.708  1.00 10.76           H   new
ATOM      0  HB2 GLN A  40      11.275  -2.762  -4.400  1.00 11.14           H   new
ATOM      0  HB3 GLN A  40      12.109  -2.879  -2.863  1.00 11.14           H   new
ATOM      0  HG2 GLN A  40      13.218  -5.009  -3.592  1.00 14.85           H   new
ATOM      0  HG3 GLN A  40      12.327  -4.981  -5.101  1.00 14.85           H   new
ATOM      0 HE21 GLN A  40      14.071  -4.476  -6.685  1.00 18.16           H   new
ATOM      0 HE22 GLN A  40      15.065  -3.025  -6.525  1.00 18.16           H   new
ATOM    639  N   GLN A  41       8.416  -3.554  -2.537  1.00  6.52           N
ATOM    640  CA  GLN A  41       7.456  -2.872  -1.726  1.00  3.87           C
ATOM    641  C   GLN A  41       6.913  -3.750  -0.651  1.00  4.79           C
ATOM    642  O   GLN A  41       6.332  -4.794  -0.940  1.00  6.34           O
ATOM    643  CB  GLN A  41       6.231  -2.388  -2.521  1.00  4.20           C
ATOM    644  CG  GLN A  41       6.391  -1.172  -3.436  1.00  3.20           C
ATOM    645  CD  GLN A  41       5.166  -1.001  -4.323  1.00  4.89           C
ATOM    646  OE1 GLN A  41       4.096  -1.277  -3.781  1.00  5.21           O
ATOM    647  NE2 GLN A  41       5.321  -0.475  -5.567  1.00  7.13           N
ATOM      0  H   GLN A  41       8.027  -3.849  -3.433  1.00  6.52           H   new
ATOM      0  HA  GLN A  41       8.007  -2.025  -1.317  1.00  3.87           H   new
ATOM      0  HB2 GLN A  41       5.882  -3.220  -3.133  1.00  4.20           H   new
ATOM      0  HB3 GLN A  41       5.439  -2.164  -1.806  1.00  4.20           H   new
ATOM      0  HG2 GLN A  41       6.539  -0.275  -2.835  1.00  3.20           H   new
ATOM      0  HG3 GLN A  41       7.280  -1.291  -4.055  1.00  3.20           H   new
ATOM      0 HE21 GLN A  41       6.256  -0.282  -5.926  1.00  7.13           H   new
ATOM      0 HE22 GLN A  41       4.502  -0.274  -6.141  1.00  7.13           H   new
ATOM    656  N   ARG A  42       7.010  -3.439   0.654  1.00  5.73           N
ATOM    657  CA  ARG A  42       6.401  -4.226   1.682  1.00  6.97           C
ATOM    658  C   ARG A  42       5.483  -3.289   2.390  1.00  7.15           C
ATOM    659  O   ARG A  42       5.849  -2.359   3.107  1.00  7.33           O
ATOM    660  CB  ARG A  42       7.431  -4.692   2.725  1.00 13.23           C
ATOM    661  CG  ARG A  42       7.036  -5.849   3.644  1.00 21.27           C
ATOM    662  CD  ARG A  42       8.136  -6.338   4.589  1.00 26.14           C
ATOM    663  NE  ARG A  42       7.482  -7.375   5.435  1.00 32.26           N
ATOM    664  CZ  ARG A  42       8.181  -8.084   6.370  1.00 34.32           C
ATOM    665  NH1 ARG A  42       9.445  -7.809   6.804  1.00 35.30           N
ATOM    666  NH2 ARG A  42       7.561  -9.195   6.864  1.00 36.39           N
ATOM      0  H   ARG A  42       7.520  -2.627   1.002  1.00  5.73           H   new
ATOM      0  HA  ARG A  42       5.921  -5.103   1.247  1.00  6.97           H   new
ATOM      0  HB2 ARG A  42       8.339  -4.979   2.195  1.00 13.23           H   new
ATOM      0  HB3 ARG A  42       7.685  -3.837   3.352  1.00 13.23           H   new
ATOM      0  HG2 ARG A  42       6.178  -5.541   4.241  1.00 21.27           H   new
ATOM      0  HG3 ARG A  42       6.711  -6.687   3.027  1.00 21.27           H   new
ATOM      0  HD2 ARG A  42       8.977  -6.754   4.034  1.00 26.14           H   new
ATOM      0  HD3 ARG A  42       8.527  -5.522   5.196  1.00 26.14           H   new
ATOM      0  HE  ARG A  42       6.486  -7.560   5.313  1.00 32.26           H   new
ATOM      0 HH11 ARG A  42       9.953  -7.011   6.423  1.00 35.30           H   new
ATOM      0 HH12 ARG A  42       9.882  -8.402   7.509  1.00 35.30           H   new
ATOM      0 HH21 ARG A  42       6.631  -9.450   6.532  1.00 36.39           H   new
ATOM      0 HH22 ARG A  42       8.028  -9.770   7.565  1.00 36.39           H   new
ATOM    680  N   LEU A  43       4.165  -3.502   2.227  1.00  4.65           N
ATOM    681  CA  LEU A  43       3.213  -2.588   2.778  1.00  3.51           C
ATOM    682  C   LEU A  43       2.872  -3.189   4.098  1.00  5.56           C
ATOM    683  O   LEU A  43       2.023  -4.072   4.205  1.00  4.19           O
ATOM    684  CB  LEU A  43       2.022  -2.482   1.812  1.00  3.74           C
ATOM    685  CG  LEU A  43       2.310  -1.691   0.524  1.00  6.32           C
ATOM    686  CD1 LEU A  43       1.035  -1.780  -0.331  1.00  6.41           C
ATOM    687  CD2 LEU A  43       2.712  -0.235   0.815  1.00  9.55           C
ATOM      0  H   LEU A  43       3.763  -4.293   1.723  1.00  4.65           H   new
ATOM      0  HA  LEU A  43       3.568  -1.566   2.912  1.00  3.51           H   new
ATOM      0  HB2 LEU A  43       1.700  -3.488   1.541  1.00  3.74           H   new
ATOM      0  HB3 LEU A  43       1.189  -2.011   2.334  1.00  3.74           H   new
ATOM      0  HG  LEU A  43       3.163  -2.114  -0.007  1.00  6.32           H   new
ATOM      0 HD11 LEU A  43       1.183  -1.233  -1.262  1.00  6.41           H   new
ATOM      0 HD12 LEU A  43       0.819  -2.825  -0.554  1.00  6.41           H   new
ATOM      0 HD13 LEU A  43       0.199  -1.345   0.216  1.00  6.41           H   new
ATOM      0 HD21 LEU A  43       2.905   0.284  -0.124  1.00  9.55           H   new
ATOM      0 HD22 LEU A  43       1.903   0.266   1.347  1.00  9.55           H   new
ATOM      0 HD23 LEU A  43       3.613  -0.222   1.429  1.00  9.55           H   new
ATOM    699  N   ILE A  44       3.391  -2.594   5.187  1.00  4.58           N
ATOM    700  CA  ILE A  44       3.024  -2.825   6.550  1.00  5.55           C
ATOM    701  C   ILE A  44       1.897  -1.918   6.906  1.00  5.46           C
ATOM    702  O   ILE A  44       1.910  -0.712   6.663  1.00  6.04           O
ATOM    703  CB  ILE A  44       4.204  -2.645   7.459  1.00  6.80           C
ATOM    704  CG1 ILE A  44       5.392  -3.545   7.080  1.00 10.31           C
ATOM    705  CG2 ILE A  44       3.899  -2.795   8.959  1.00  7.39           C
ATOM    706  CD1 ILE A  44       5.303  -5.059   7.264  1.00 13.90           C
ATOM      0  H   ILE A  44       4.128  -1.894   5.106  1.00  4.58           H   new
ATOM      0  HA  ILE A  44       2.692  -3.856   6.675  1.00  5.55           H   new
ATOM      0  HB  ILE A  44       4.480  -1.603   7.299  1.00  6.80           H   new
ATOM      0 HG12 ILE A  44       5.614  -3.360   6.029  1.00 10.31           H   new
ATOM      0 HG13 ILE A  44       6.253  -3.201   7.653  1.00 10.31           H   new
ATOM      0 HG21 ILE A  44       4.814  -2.648   9.533  1.00  7.39           H   new
ATOM      0 HG22 ILE A  44       3.160  -2.051   9.256  1.00  7.39           H   new
ATOM      0 HG23 ILE A  44       3.506  -3.793   9.152  1.00  7.39           H   new
ATOM      0 HD11 ILE A  44       6.237  -5.520   6.942  1.00 13.90           H   new
ATOM      0 HD12 ILE A  44       5.129  -5.288   8.315  1.00 13.90           H   new
ATOM      0 HD13 ILE A  44       4.480  -5.450   6.666  1.00 13.90           H   new
ATOM    718  N   PHE A  45       0.871  -2.483   7.568  1.00  6.75           N
ATOM    719  CA  PHE A  45      -0.339  -1.806   7.916  1.00  4.70           C
ATOM    720  C   PHE A  45      -0.558  -2.289   9.309  1.00  6.34           C
ATOM    721  O   PHE A  45      -0.668  -3.487   9.564  1.00  5.45           O
ATOM    722  CB  PHE A  45      -1.455  -2.320   6.992  1.00  5.51           C
ATOM    723  CG  PHE A  45      -2.654  -1.481   7.271  1.00  5.98           C
ATOM    724  CD1 PHE A  45      -2.699  -0.193   6.792  1.00  6.86           C
ATOM    725  CD2 PHE A  45      -3.672  -1.947   8.070  1.00  5.87           C
ATOM    726  CE1 PHE A  45      -3.794   0.577   7.106  1.00  6.68           C
ATOM    727  CE2 PHE A  45      -4.762  -1.152   8.337  1.00  6.64           C
ATOM    728  CZ  PHE A  45      -4.815   0.160   7.928  1.00  6.84           C
ATOM      0  H   PHE A  45       0.886  -3.456   7.874  1.00  6.75           H   new
ATOM      0  HA  PHE A  45      -0.314  -0.720   7.830  1.00  4.70           H   new
ATOM      0  HB2 PHE A  45      -1.160  -2.240   5.946  1.00  5.51           H   new
ATOM      0  HB3 PHE A  45      -1.664  -3.372   7.184  1.00  5.51           H   new
ATOM      0  HD1 PHE A  45      -1.897   0.203   6.186  1.00  6.86           H   new
ATOM      0  HD2 PHE A  45      -3.615  -2.941   8.489  1.00  5.87           H   new
ATOM      0  HE1 PHE A  45      -3.856   1.568   6.682  1.00  6.68           H   new
ATOM      0  HE2 PHE A  45      -5.597  -1.568   8.881  1.00  6.64           H   new
ATOM      0  HZ  PHE A  45      -5.611   0.823   8.234  1.00  6.84           H   new
ATOM    738  N   ALA A  46      -0.357  -1.355  10.255  1.00  6.53           N
ATOM    739  CA  ALA A  46      -0.198  -1.634  11.649  1.00  7.15           C
ATOM    740  C   ALA A  46       1.009  -2.447  11.968  1.00  9.00           C
ATOM    741  O   ALA A  46       2.131  -1.962  11.831  1.00 11.15           O
ATOM    742  CB  ALA A  46      -1.496  -2.205  12.244  1.00  8.99           C
ATOM      0  H   ALA A  46      -0.303  -0.360  10.039  1.00  6.53           H   new
ATOM      0  HA  ALA A  46      -0.007  -0.681  12.142  1.00  7.15           H   new
ATOM      0  HB1 ALA A  46      -1.351  -2.409  13.305  1.00  8.99           H   new
ATOM      0  HB2 ALA A  46      -2.302  -1.481  12.121  1.00  8.99           H   new
ATOM      0  HB3 ALA A  46      -1.757  -3.130  11.729  1.00  8.99           H   new
ATOM    748  N   GLY A  47       0.805  -3.724  12.337  1.00  9.35           N
ATOM    749  CA  GLY A  47       1.901  -4.598  12.619  1.00 11.68           C
ATOM    750  C   GLY A  47       2.207  -5.516  11.486  1.00 11.14           C
ATOM    751  O   GLY A  47       3.237  -6.179  11.598  1.00 13.93           O
ATOM      0  H   GLY A  47      -0.116  -4.150  12.440  1.00  9.35           H   new
ATOM      0  HA2 GLY A  47       2.785  -4.004  12.849  1.00 11.68           H   new
ATOM      0  HA3 GLY A  47       1.672  -5.187  13.507  1.00 11.68           H   new
ATOM    755  N   LYS A  48       1.316  -5.718  10.499  1.00 10.47           N
ATOM    756  CA  LYS A  48       1.408  -6.829   9.604  1.00  8.82           C
ATOM    757  C   LYS A  48       1.701  -6.422   8.201  1.00  7.68           C
ATOM    758  O   LYS A  48       1.192  -5.397   7.750  1.00  6.47           O
ATOM    759  CB  LYS A  48       0.101  -7.634   9.693  1.00  9.74           C
ATOM    760  CG  LYS A  48      -0.544  -7.726  11.077  1.00 14.14           C
ATOM    761  CD  LYS A  48      -2.056  -7.924  10.952  1.00 16.32           C
ATOM    762  CE  LYS A  48      -2.849  -6.684  10.534  1.00 20.04           C
ATOM    763  NZ  LYS A  48      -4.289  -7.024  10.569  1.00 23.92           N
ATOM      0  H   LYS A  48       0.522  -5.103  10.320  1.00 10.47           H   new
ATOM      0  HA  LYS A  48       2.252  -7.448   9.907  1.00  8.82           H   new
ATOM      0  HB2 LYS A  48      -0.621  -7.191   9.007  1.00  9.74           H   new
ATOM      0  HB3 LYS A  48       0.297  -8.646   9.339  1.00  9.74           H   new
ATOM      0  HG2 LYS A  48      -0.108  -8.555  11.634  1.00 14.14           H   new
ATOM      0  HG3 LYS A  48      -0.336  -6.818  11.643  1.00 14.14           H   new
ATOM      0  HD2 LYS A  48      -2.243  -8.715  10.226  1.00 16.32           H   new
ATOM      0  HD3 LYS A  48      -2.440  -8.274  11.910  1.00 16.32           H   new
ATOM      0  HE2 LYS A  48      -2.638  -5.853  11.207  1.00 20.04           H   new
ATOM      0  HE3 LYS A  48      -2.558  -6.366   9.533  1.00 20.04           H   new
ATOM      0  HZ1 LYS A  48      -4.849  -6.194  10.288  1.00 23.92           H   new
ATOM      0  HZ2 LYS A  48      -4.477  -7.807   9.911  1.00 23.92           H   new
ATOM      0  HZ3 LYS A  48      -4.555  -7.310  11.533  1.00 23.92           H   new
ATOM    777  N   GLN A  49       2.445  -7.283   7.483  1.00  8.89           N
ATOM    778  CA  GLN A  49       2.385  -7.189   6.058  1.00  7.18           C
ATOM    779  C   GLN A  49       1.119  -7.713   5.471  1.00  8.23           C
ATOM    780  O   GLN A  49       0.597  -8.808   5.673  1.00  9.70           O
ATOM    781  CB  GLN A  49       3.533  -7.952   5.375  1.00 11.67           C
ATOM    782  CG  GLN A  49       3.560  -8.043   3.848  1.00 15.82           C
ATOM    783  CD  GLN A  49       4.804  -8.807   3.419  1.00 20.21           C
ATOM    784  OE1 GLN A  49       5.726  -9.062   4.193  1.00 23.23           O
ATOM    785  NE2 GLN A  49       4.795  -9.201   2.118  1.00 20.67           N
ATOM      0  H   GLN A  49       3.056  -8.006   7.862  1.00  8.89           H   new
ATOM      0  HA  GLN A  49       2.457  -6.118   5.871  1.00  7.18           H   new
ATOM      0  HB2 GLN A  49       4.469  -7.492   5.694  1.00 11.67           H   new
ATOM      0  HB3 GLN A  49       3.529  -8.970   5.765  1.00 11.67           H   new
ATOM      0  HG2 GLN A  49       2.665  -8.548   3.485  1.00 15.82           H   new
ATOM      0  HG3 GLN A  49       3.562  -7.044   3.411  1.00 15.82           H   new
ATOM      0 HE21 GLN A  49       4.005  -8.963   1.518  1.00 20.67           H   new
ATOM      0 HE22 GLN A  49       5.578  -9.735   1.741  1.00 20.67           H   new
ATOM    794  N   LEU A  50       0.521  -6.835   4.646  1.00  6.51           N
ATOM    795  CA  LEU A  50      -0.596  -7.114   3.798  1.00  7.41           C
ATOM    796  C   LEU A  50      -0.076  -7.840   2.606  1.00  8.27           C
ATOM    797  O   LEU A  50       0.983  -7.552   2.050  1.00  8.34           O
ATOM    798  CB  LEU A  50      -1.058  -5.762   3.228  1.00  7.13           C
ATOM    799  CG  LEU A  50      -1.605  -4.709   4.207  1.00  7.53           C
ATOM    800  CD1 LEU A  50      -2.049  -3.406   3.522  1.00  9.11           C
ATOM    801  CD2 LEU A  50      -2.805  -5.258   4.997  1.00  8.14           C
ATOM      0  H   LEU A  50       0.839  -5.869   4.567  1.00  6.51           H   new
ATOM      0  HA  LEU A  50      -1.370  -7.661   4.337  1.00  7.41           H   new
ATOM      0  HB2 LEU A  50      -0.215  -5.318   2.699  1.00  7.13           H   new
ATOM      0  HB3 LEU A  50      -1.831  -5.960   2.486  1.00  7.13           H   new
ATOM      0  HG  LEU A  50      -0.771  -4.482   4.871  1.00  7.53           H   new
ATOM      0 HD11 LEU A  50      -2.423  -2.710   4.272  1.00  9.11           H   new
ATOM      0 HD12 LEU A  50      -1.200  -2.960   3.004  1.00  9.11           H   new
ATOM      0 HD13 LEU A  50      -2.839  -3.624   2.803  1.00  9.11           H   new
ATOM      0 HD21 LEU A  50      -3.171  -4.493   5.681  1.00  8.14           H   new
ATOM      0 HD22 LEU A  50      -3.600  -5.536   4.305  1.00  8.14           H   new
ATOM      0 HD23 LEU A  50      -2.496  -6.135   5.566  1.00  8.14           H   new
ATOM    813  N   GLU A  51      -0.769  -8.938   2.258  1.00  9.43           N
ATOM    814  CA  GLU A  51      -0.376  -9.914   1.289  1.00 11.90           C
ATOM    815  C   GLU A  51      -1.121  -9.873   0.000  1.00 11.49           C
ATOM    816  O   GLU A  51      -2.287  -9.500  -0.122  1.00  9.88           O
ATOM    817  CB  GLU A  51      -0.454 -11.377   1.757  1.00 16.56           C
ATOM    818  CG  GLU A  51       0.284 -11.467   3.094  1.00 26.06           C
ATOM    819  CD  GLU A  51       0.331 -12.939   3.480  1.00 29.86           C
ATOM    820  OE1 GLU A  51      -0.680 -13.562   3.901  1.00 33.44           O
ATOM    821  OE2 GLU A  51       1.406 -13.563   3.272  1.00 32.13           O
ATOM      0  H   GLU A  51      -1.669  -9.159   2.685  1.00  9.43           H   new
ATOM      0  HA  GLU A  51       0.661  -9.611   1.143  1.00 11.90           H   new
ATOM      0  HB2 GLU A  51      -1.492 -11.690   1.869  1.00 16.56           H   new
ATOM      0  HB3 GLU A  51       0.001 -12.040   1.022  1.00 16.56           H   new
ATOM      0  HG2 GLU A  51       1.291 -11.059   3.007  1.00 26.06           H   new
ATOM      0  HG3 GLU A  51      -0.231 -10.884   3.858  1.00 26.06           H   new
ATOM    828  N   ASP A  52      -0.456 -10.299  -1.089  1.00 12.71           N
ATOM    829  CA  ASP A  52      -0.778 -10.110  -2.469  1.00 16.56           C
ATOM    830  C   ASP A  52      -2.137 -10.335  -3.039  1.00 15.83           C
ATOM    831  O   ASP A  52      -2.612  -9.500  -3.806  1.00 17.21           O
ATOM    832  CB  ASP A  52       0.286 -10.681  -3.420  1.00 21.05           C
ATOM    833  CG  ASP A  52       1.728 -10.219  -3.261  1.00 25.12           C
ATOM    834  OD1 ASP A  52       2.395 -10.646  -2.281  1.00 25.82           O
ATOM    835  OD2 ASP A  52       2.238  -9.409  -4.081  1.00 28.37           O
ATOM      0  H   ASP A  52       0.405 -10.837  -0.986  1.00 12.71           H   new
ATOM      0  HA  ASP A  52      -0.788  -9.022  -2.410  1.00 16.56           H   new
ATOM      0  HB2 ASP A  52       0.273 -11.766  -3.318  1.00 21.05           H   new
ATOM      0  HB3 ASP A  52      -0.024 -10.453  -4.440  1.00 21.05           H   new
ATOM    840  N   GLY A  53      -2.694 -11.542  -2.834  1.00 15.00           N
ATOM    841  CA  GLY A  53      -3.899 -11.977  -3.471  1.00 11.77           C
ATOM    842  C   GLY A  53      -5.129 -11.508  -2.773  1.00 11.10           C
ATOM    843  O   GLY A  53      -6.257 -11.794  -3.172  1.00 11.25           O
ATOM      0  H   GLY A  53      -2.293 -12.238  -2.205  1.00 15.00           H   new
ATOM      0  HA2 GLY A  53      -3.911 -11.615  -4.499  1.00 11.77           H   new
ATOM      0  HA3 GLY A  53      -3.907 -13.066  -3.516  1.00 11.77           H   new
ATOM    847  N   ARG A  54      -4.953 -10.670  -1.736  1.00  8.53           N
ATOM    848  CA  ARG A  54      -5.961 -10.214  -0.829  1.00  9.05           C
ATOM    849  C   ARG A  54      -6.349  -8.802  -1.104  1.00  8.96           C
ATOM    850  O   ARG A  54      -5.522  -8.018  -1.566  1.00 11.60           O
ATOM    851  CB  ARG A  54      -5.653 -10.440   0.661  1.00  7.97           C
ATOM    852  CG  ARG A  54      -5.756 -11.911   1.067  1.00  9.62           C
ATOM    853  CD  ARG A  54      -5.420 -12.115   2.546  1.00 12.20           C
ATOM    854  NE  ARG A  54      -5.320 -13.555   2.914  1.00 18.23           N
ATOM    855  CZ  ARG A  54      -6.331 -14.219   3.547  1.00 22.08           C
ATOM    856  NH1 ARG A  54      -7.585 -13.737   3.793  1.00 23.38           N
ATOM    857  NH2 ARG A  54      -6.105 -15.507   3.937  1.00 25.50           N
ATOM      0  H   ARG A  54      -4.036 -10.282  -1.516  1.00  8.53           H   new
ATOM      0  HA  ARG A  54      -6.819 -10.856  -1.029  1.00  9.05           H   new
ATOM      0  HB2 ARG A  54      -4.649 -10.076   0.880  1.00  7.97           H   new
ATOM      0  HB3 ARG A  54      -6.344  -9.851   1.264  1.00  7.97           H   new
ATOM      0  HG2 ARG A  54      -6.765 -12.273   0.870  1.00  9.62           H   new
ATOM      0  HG3 ARG A  54      -5.078 -12.506   0.454  1.00  9.62           H   new
ATOM      0  HD2 ARG A  54      -4.476 -11.619   2.773  1.00 12.20           H   new
ATOM      0  HD3 ARG A  54      -6.186 -11.639   3.158  1.00 12.20           H   new
ATOM      0  HE  ARG A  54      -4.466 -14.063   2.685  1.00 18.23           H   new
ATOM      0 HH11 ARG A  54      -7.837 -12.795   3.494  1.00 23.38           H   new
ATOM      0 HH12 ARG A  54      -8.269 -14.319   4.276  1.00 23.38           H   new
ATOM      0 HH21 ARG A  54      -5.202 -15.945   3.753  1.00 25.50           H   new
ATOM      0 HH22 ARG A  54      -6.839 -16.032   4.412  1.00 25.50           H   new
ATOM    871  N   THR A  55      -7.594  -8.426  -0.759  1.00  9.05           N
ATOM    872  CA  THR A  55      -8.089  -7.099  -0.960  1.00  9.03           C
ATOM    873  C   THR A  55      -7.788  -6.265   0.237  1.00  8.15           C
ATOM    874  O   THR A  55      -7.405  -6.819   1.267  1.00  5.91           O
ATOM    875  CB  THR A  55      -9.527  -6.973  -1.365  1.00 11.15           C
ATOM    876  OG1 THR A  55     -10.382  -7.428  -0.326  1.00 11.95           O
ATOM    877  CG2 THR A  55      -9.888  -7.743  -2.646  1.00 11.71           C
ATOM      0  H   THR A  55      -8.271  -9.058  -0.331  1.00  9.05           H   new
ATOM      0  HA  THR A  55      -7.555  -6.730  -1.836  1.00  9.03           H   new
ATOM      0  HB  THR A  55      -9.671  -5.911  -1.563  1.00 11.15           H   new
ATOM      0  HG1 THR A  55     -11.099  -6.776  -0.183  1.00 11.95           H   new
ATOM      0 HG21 THR A  55     -10.945  -7.601  -2.870  1.00 11.71           H   new
ATOM      0 HG22 THR A  55      -9.287  -7.370  -3.476  1.00 11.71           H   new
ATOM      0 HG23 THR A  55      -9.688  -8.805  -2.501  1.00 11.71           H   new
ATOM    885  N   LEU A  56      -8.072  -4.951   0.191  1.00  6.91           N
ATOM    886  CA  LEU A  56      -7.931  -4.077   1.314  1.00  8.29           C
ATOM    887  C   LEU A  56      -9.050  -4.293   2.274  1.00  8.05           C
ATOM    888  O   LEU A  56      -8.884  -4.241   3.491  1.00 10.17           O
ATOM    889  CB  LEU A  56      -7.961  -2.586   0.938  1.00  6.60           C
ATOM    890  CG  LEU A  56      -6.796  -2.130   0.043  1.00  7.73           C
ATOM    891  CD1 LEU A  56      -7.005  -0.779  -0.661  1.00  8.64           C
ATOM    892  CD2 LEU A  56      -5.497  -2.105   0.867  1.00  9.85           C
ATOM      0  H   LEU A  56      -8.409  -4.483  -0.651  1.00  6.91           H   new
ATOM      0  HA  LEU A  56      -6.959  -4.316   1.745  1.00  8.29           H   new
ATOM      0  HB2 LEU A  56      -8.900  -2.372   0.428  1.00  6.60           H   new
ATOM      0  HB3 LEU A  56      -7.953  -1.993   1.853  1.00  6.60           H   new
ATOM      0  HG  LEU A  56      -6.736  -2.861  -0.763  1.00  7.73           H   new
ATOM      0 HD11 LEU A  56      -6.130  -0.546  -1.267  1.00  8.64           H   new
ATOM      0 HD12 LEU A  56      -7.886  -0.835  -1.301  1.00  8.64           H   new
ATOM      0 HD13 LEU A  56      -7.148   0.002   0.086  1.00  8.64           H   new
ATOM      0 HD21 LEU A  56      -4.671  -1.782   0.234  1.00  9.85           H   new
ATOM      0 HD22 LEU A  56      -5.608  -1.411   1.700  1.00  9.85           H   new
ATOM      0 HD23 LEU A  56      -5.291  -3.104   1.251  1.00  9.85           H   new
ATOM    904  N   SER A  57     -10.268  -4.598   1.791  1.00  8.92           N
ATOM    905  CA  SER A  57     -11.469  -4.974   2.470  1.00  9.00           C
ATOM    906  C   SER A  57     -11.236  -6.190   3.300  1.00  9.44           C
ATOM    907  O   SER A  57     -11.626  -6.256   4.464  1.00 10.91           O
ATOM    908  CB  SER A  57     -12.736  -5.169   1.620  1.00 10.32           C
ATOM    909  OG  SER A  57     -12.610  -6.252   0.710  1.00 13.59           O
ATOM      0  H   SER A  57     -10.426  -4.576   0.784  1.00  8.92           H   new
ATOM      0  HA  SER A  57     -11.692  -4.097   3.077  1.00  9.00           H   new
ATOM      0  HB2 SER A  57     -13.588  -5.345   2.276  1.00 10.32           H   new
ATOM      0  HB3 SER A  57     -12.944  -4.254   1.066  1.00 10.32           H   new
ATOM      0  HG  SER A  57     -13.437  -6.342   0.192  1.00 13.59           H   new
ATOM    915  N   ASP A  58     -10.490  -7.207   2.833  1.00  9.11           N
ATOM    916  CA  ASP A  58     -10.100  -8.383   3.548  1.00  7.91           C
ATOM    917  C   ASP A  58      -9.533  -8.160   4.908  1.00  9.12           C
ATOM    918  O   ASP A  58      -9.843  -8.882   5.855  1.00  8.61           O
ATOM    919  CB  ASP A  58      -9.181  -9.220   2.642  1.00  8.41           C
ATOM    920  CG  ASP A  58      -9.493 -10.702   2.796  1.00 11.50           C
ATOM    921  OD1 ASP A  58     -10.553 -11.079   2.228  1.00 11.70           O
ATOM    922  OD2 ASP A  58      -8.718 -11.407   3.496  1.00 10.05           O
ATOM      0  H   ASP A  58     -10.131  -7.205   1.878  1.00  9.11           H   new
ATOM      0  HA  ASP A  58     -11.012  -8.936   3.776  1.00  7.91           H   new
ATOM      0  HB2 ASP A  58      -9.313  -8.920   1.602  1.00  8.41           H   new
ATOM      0  HB3 ASP A  58      -8.138  -9.033   2.898  1.00  8.41           H   new
ATOM    927  N   TYR A  59      -8.620  -7.196   5.120  1.00  7.97           N
ATOM    928  CA  TYR A  59      -8.111  -6.767   6.386  1.00  8.45           C
ATOM    929  C   TYR A  59      -8.836  -5.625   7.011  1.00 10.98           C
ATOM    930  O   TYR A  59      -8.516  -5.148   8.099  1.00 12.95           O
ATOM    931  CB  TYR A  59      -6.730  -6.194   6.023  1.00  7.94           C
ATOM    932  CG  TYR A  59      -5.851  -7.280   5.507  1.00  6.91           C
ATOM    933  CD1 TYR A  59      -5.129  -8.135   6.306  1.00  6.98           C
ATOM    934  CD2 TYR A  59      -5.530  -7.273   4.170  1.00  4.59           C
ATOM    935  CE1 TYR A  59      -4.262  -9.056   5.768  1.00  6.52           C
ATOM    936  CE2 TYR A  59      -4.586  -8.111   3.625  1.00  5.39           C
ATOM    937  CZ  TYR A  59      -3.981  -9.055   4.422  1.00  6.76           C
ATOM    938  OH  TYR A  59      -3.071  -9.972   3.855  1.00  7.63           O
ATOM      0  H   TYR A  59      -8.206  -6.677   4.346  1.00  7.97           H   new
ATOM      0  HA  TYR A  59      -8.166  -7.602   7.084  1.00  8.45           H   new
ATOM      0  HB2 TYR A  59      -6.837  -5.412   5.271  1.00  7.94           H   new
ATOM      0  HB3 TYR A  59      -6.276  -5.732   6.900  1.00  7.94           H   new
ATOM      0  HD1 TYR A  59      -5.246  -8.082   7.378  1.00  6.98           H   new
ATOM      0  HD2 TYR A  59      -6.042  -6.579   3.520  1.00  4.59           H   new
ATOM      0  HE1 TYR A  59      -3.796  -9.789   6.410  1.00  6.52           H   new
ATOM      0  HE2 TYR A  59      -4.322  -8.029   2.581  1.00  5.39           H   new
ATOM      0  HH  TYR A  59      -3.079 -10.804   4.374  1.00  7.63           H   new
ATOM    948  N   ASN A  60      -9.901  -5.186   6.316  1.00 12.38           N
ATOM    949  CA  ASN A  60     -10.755  -4.151   6.808  1.00 13.94           C
ATOM    950  C   ASN A  60     -10.173  -2.788   6.965  1.00 14.16           C
ATOM    951  O   ASN A  60     -10.556  -1.996   7.824  1.00 14.26           O
ATOM    952  CB  ASN A  60     -11.580  -4.506   8.056  1.00 19.23           C
ATOM    953  CG  ASN A  60     -12.288  -5.835   7.832  1.00 22.65           C
ATOM    954  OD1 ASN A  60     -11.898  -6.881   8.349  1.00 25.45           O
ATOM    955  ND2 ASN A  60     -13.501  -5.762   7.221  1.00 24.09           N
ATOM      0  H   ASN A  60     -10.172  -5.553   5.404  1.00 12.38           H   new
ATOM      0  HA  ASN A  60     -11.429  -4.091   5.953  1.00 13.94           H   new
ATOM      0  HB2 ASN A  60     -10.930  -4.570   8.929  1.00 19.23           H   new
ATOM      0  HB3 ASN A  60     -12.310  -3.722   8.258  1.00 19.23           H   new
ATOM      0 HD21 ASN A  60     -14.105  -6.583   7.186  1.00 24.09           H   new
ATOM      0 HD22 ASN A  60     -13.807  -4.886   6.798  1.00 24.09           H   new
ATOM    962  N   ILE A  61      -9.328  -2.446   5.975  1.00 11.08           N
ATOM    963  CA  ILE A  61      -8.715  -1.174   5.750  1.00 11.78           C
ATOM    964  C   ILE A  61      -9.754  -0.250   5.215  1.00 13.74           C
ATOM    965  O   ILE A  61     -10.526  -0.643   4.342  1.00 14.60           O
ATOM    966  CB  ILE A  61      -7.509  -1.255   4.862  1.00 11.80           C
ATOM    967  CG1 ILE A  61      -6.448  -2.182   5.479  1.00 11.56           C
ATOM    968  CG2 ILE A  61      -6.931   0.154   4.647  1.00 13.29           C
ATOM    969  CD1 ILE A  61      -5.119  -2.390   4.753  1.00 11.42           C
ATOM      0  H   ILE A  61      -9.050  -3.126   5.267  1.00 11.08           H   new
ATOM      0  HA  ILE A  61      -8.332  -0.789   6.695  1.00 11.78           H   new
ATOM      0  HB  ILE A  61      -7.804  -1.670   3.898  1.00 11.80           H   new
ATOM      0 HG12 ILE A  61      -6.221  -1.801   6.475  1.00 11.56           H   new
ATOM      0 HG13 ILE A  61      -6.906  -3.162   5.609  1.00 11.56           H   new
ATOM      0 HG21 ILE A  61      -6.055   0.093   4.002  1.00 13.29           H   new
ATOM      0 HG22 ILE A  61      -7.683   0.788   4.179  1.00 13.29           H   new
ATOM      0 HG23 ILE A  61      -6.645   0.580   5.608  1.00 13.29           H   new
ATOM      0 HD11 ILE A  61      -4.493  -3.072   5.329  1.00 11.42           H   new
ATOM      0 HD12 ILE A  61      -5.306  -2.814   3.767  1.00 11.42           H   new
ATOM      0 HD13 ILE A  61      -4.609  -1.432   4.645  1.00 11.42           H   new
ATOM    981  N   GLN A  62      -9.837   1.028   5.627  1.00 13.97           N
ATOM    982  CA  GLN A  62     -10.885   1.885   5.167  1.00 15.52           C
ATOM    983  C   GLN A  62     -10.268   3.150   4.677  1.00 13.94           C
ATOM    984  O   GLN A  62      -9.049   3.298   4.613  1.00 12.15           O
ATOM    985  CB  GLN A  62     -12.024   2.120   6.172  1.00 19.53           C
ATOM    986  CG  GLN A  62     -12.563   0.866   6.865  1.00 26.38           C
ATOM    987  CD  GLN A  62     -13.536   1.374   7.919  1.00 30.61           C
ATOM    988  OE1 GLN A  62     -14.594   1.930   7.626  1.00 33.23           O
ATOM    989  NE2 GLN A  62     -13.166   1.099   9.198  1.00 32.71           N
ATOM      0  H   GLN A  62      -9.182   1.466   6.275  1.00 13.97           H   new
ATOM      0  HA  GLN A  62     -11.398   1.377   4.350  1.00 15.52           H   new
ATOM      0  HB2 GLN A  62     -11.673   2.813   6.936  1.00 19.53           H   new
ATOM      0  HB3 GLN A  62     -12.848   2.609   5.652  1.00 19.53           H   new
ATOM      0  HG2 GLN A  62     -13.062   0.208   6.154  1.00 26.38           H   new
ATOM      0  HG3 GLN A  62     -11.756   0.291   7.320  1.00 26.38           H   new
ATOM      0 HE21 GLN A  62     -12.276   0.636   9.383  1.00 32.71           H   new
ATOM      0 HE22 GLN A  62     -13.778   1.356   9.972  1.00 32.71           H   new
ATOM    998  N   LYS A  63     -11.045   4.221   4.434  1.00 11.73           N
ATOM    999  CA  LYS A  63     -10.575   5.436   3.845  1.00 11.97           C
ATOM   1000  C   LYS A  63      -9.812   6.295   4.794  1.00 10.41           C
ATOM   1001  O   LYS A  63      -9.938   6.152   6.009  1.00  9.59           O
ATOM   1002  CB  LYS A  63     -11.748   6.233   3.250  1.00 13.73           C
ATOM   1003  CG  LYS A  63     -12.663   6.813   4.331  1.00 16.98           C
ATOM   1004  CD  LYS A  63     -14.030   7.300   3.846  1.00 20.19           C
ATOM   1005  CE  LYS A  63     -14.873   7.912   4.966  1.00 23.42           C
ATOM   1006  NZ  LYS A  63     -15.587   6.912   5.791  1.00 25.97           N
ATOM      0  H   LYS A  63     -12.040   4.241   4.657  1.00 11.73           H   new
ATOM      0  HA  LYS A  63      -9.883   5.144   3.055  1.00 11.97           H   new
ATOM      0  HB2 LYS A  63     -11.358   7.043   2.634  1.00 13.73           H   new
ATOM      0  HB3 LYS A  63     -12.329   5.585   2.594  1.00 13.73           H   new
ATOM      0  HG2 LYS A  63     -12.818   6.053   5.097  1.00 16.98           H   new
ATOM      0  HG3 LYS A  63     -12.148   7.647   4.809  1.00 16.98           H   new
ATOM      0  HD2 LYS A  63     -13.888   8.040   3.058  1.00 20.19           H   new
ATOM      0  HD3 LYS A  63     -14.573   6.464   3.404  1.00 20.19           H   new
ATOM      0  HE2 LYS A  63     -14.226   8.507   5.611  1.00 23.42           H   new
ATOM      0  HE3 LYS A  63     -15.601   8.595   4.528  1.00 23.42           H   new
ATOM      0  HZ1 LYS A  63     -16.136   7.398   6.528  1.00 25.97           H   new
ATOM      0  HZ2 LYS A  63     -16.230   6.360   5.188  1.00 25.97           H   new
ATOM      0  HZ3 LYS A  63     -14.897   6.274   6.237  1.00 25.97           H   new
ATOM   1020  N   GLU A  64      -8.951   7.230   4.355  1.00 10.04           N
ATOM   1021  CA  GLU A  64      -8.184   8.174   5.108  1.00 10.94           C
ATOM   1022  C   GLU A  64      -7.117   7.542   5.933  1.00  9.74           C
ATOM   1023  O   GLU A  64      -6.631   8.164   6.877  1.00  9.42           O
ATOM   1024  CB  GLU A  64      -9.038   9.193   5.881  1.00 18.31           C
ATOM   1025  CG  GLU A  64      -9.804  10.147   4.963  1.00 24.16           C
ATOM   1026  CD  GLU A  64     -11.069  10.763   5.544  1.00 29.00           C
ATOM   1027  OE1 GLU A  64     -11.489  10.481   6.698  1.00 31.72           O
ATOM   1028  OE2 GLU A  64     -11.779  11.578   4.898  1.00 32.61           O
ATOM      0  H   GLU A  64      -8.774   7.334   3.356  1.00 10.04           H   new
ATOM      0  HA  GLU A  64      -7.656   8.768   4.362  1.00 10.94           H   new
ATOM      0  HB2 GLU A  64      -9.747   8.659   6.514  1.00 18.31           H   new
ATOM      0  HB3 GLU A  64      -8.393   9.772   6.542  1.00 18.31           H   new
ATOM      0  HG2 GLU A  64      -9.133  10.954   4.670  1.00 24.16           H   new
ATOM      0  HG3 GLU A  64     -10.071   9.608   4.054  1.00 24.16           H   new
ATOM   1035  N   SER A  65      -6.676   6.307   5.632  1.00  6.85           N
ATOM   1036  CA  SER A  65      -5.777   5.468   6.361  1.00  6.90           C
ATOM   1037  C   SER A  65      -4.403   5.311   5.806  1.00  4.72           C
ATOM   1038  O   SER A  65      -4.260   5.179   4.591  1.00  3.91           O
ATOM   1039  CB  SER A  65      -6.447   4.091   6.510  1.00  7.28           C
ATOM   1040  OG  SER A  65      -5.846   3.217   7.453  1.00 10.56           O
ATOM      0  H   SER A  65      -6.989   5.847   4.777  1.00  6.85           H   new
ATOM      0  HA  SER A  65      -5.604   5.969   7.313  1.00  6.90           H   new
ATOM      0  HB2 SER A  65      -7.489   4.242   6.793  1.00  7.28           H   new
ATOM      0  HB3 SER A  65      -6.450   3.601   5.537  1.00  7.28           H   new
ATOM      0  HG  SER A  65      -5.604   2.376   7.012  1.00 10.56           H   new
ATOM   1046  N   THR A  66      -3.375   5.225   6.668  1.00  4.48           N
ATOM   1047  CA  THR A  66      -2.002   5.197   6.269  1.00  3.80           C
ATOM   1048  C   THR A  66      -1.404   3.832   6.276  1.00  4.60           C
ATOM   1049  O   THR A  66      -1.600   3.078   7.227  1.00  5.33           O
ATOM   1050  CB  THR A  66      -1.214   6.228   7.021  1.00  2.85           C
ATOM   1051  OG1 THR A  66      -1.652   7.574   6.906  1.00  2.15           O
ATOM   1052  CG2 THR A  66       0.263   6.258   6.595  1.00  3.40           C
ATOM      0  H   THR A  66      -3.504   5.173   7.679  1.00  4.48           H   new
ATOM      0  HA  THR A  66      -1.957   5.477   5.217  1.00  3.80           H   new
ATOM      0  HB  THR A  66      -1.365   5.894   8.047  1.00  2.85           H   new
ATOM      0  HG1 THR A  66      -1.068   8.155   7.437  1.00  2.15           H   new
ATOM      0 HG21 THR A  66       0.791   7.020   7.168  1.00  3.40           H   new
ATOM      0 HG22 THR A  66       0.716   5.284   6.783  1.00  3.40           H   new
ATOM      0 HG23 THR A  66       0.331   6.491   5.532  1.00  3.40           H   new
ATOM   1060  N   LEU A  67      -0.763   3.486   5.145  1.00  4.17           N
ATOM   1061  CA  LEU A  67      -0.012   2.274   5.033  1.00  3.85           C
ATOM   1062  C   LEU A  67       1.426   2.659   5.111  1.00  3.80           C
ATOM   1063  O   LEU A  67       1.716   3.837   4.909  1.00  5.54           O
ATOM   1064  CB  LEU A  67      -0.239   1.666   3.639  1.00  7.18           C
ATOM   1065  CG  LEU A  67      -1.546   0.891   3.402  1.00  9.67           C
ATOM   1066  CD1 LEU A  67      -2.748   1.843   3.521  1.00 11.66           C
ATOM   1067  CD2 LEU A  67      -1.497   0.362   1.959  1.00  8.12           C
ATOM      0  H   LEU A  67      -0.766   4.054   4.298  1.00  4.17           H   new
ATOM      0  HA  LEU A  67      -0.303   1.565   5.808  1.00  3.85           H   new
ATOM      0  HB2 LEU A  67      -0.191   2.474   2.909  1.00  7.18           H   new
ATOM      0  HB3 LEU A  67       0.593   0.994   3.426  1.00  7.18           H   new
ATOM      0  HG  LEU A  67      -1.649   0.087   4.131  1.00  9.67           H   new
ATOM      0 HD11 LEU A  67      -3.670   1.287   3.352  1.00 11.66           H   new
ATOM      0 HD12 LEU A  67      -2.767   2.282   4.518  1.00 11.66           H   new
ATOM      0 HD13 LEU A  67      -2.660   2.635   2.777  1.00 11.66           H   new
ATOM      0 HD21 LEU A  67      -2.408  -0.197   1.745  1.00  8.12           H   new
ATOM      0 HD22 LEU A  67      -1.415   1.200   1.267  1.00  8.12           H   new
ATOM      0 HD23 LEU A  67      -0.634  -0.293   1.841  1.00  8.12           H   new
ATOM   1079  N   HIS A  68       2.409   1.860   5.562  1.00  2.94           N
ATOM   1080  CA  HIS A  68       3.789   2.204   5.717  1.00  4.17           C
ATOM   1081  C   HIS A  68       4.597   1.366   4.787  1.00  5.32           C
ATOM   1082  O   HIS A  68       4.556   0.137   4.788  1.00  7.70           O
ATOM   1083  CB  HIS A  68       4.461   2.058   7.093  1.00  5.57           C
ATOM   1084  CG  HIS A  68       5.889   2.498   7.223  1.00  9.95           C
ATOM   1085  ND1 HIS A  68       6.405   3.570   6.523  1.00 13.74           N
ATOM   1086  CD2 HIS A  68       6.888   2.018   8.010  1.00 12.79           C
ATOM   1087  CE1 HIS A  68       7.650   3.740   7.044  1.00 14.75           C
ATOM   1088  NE2 HIS A  68       8.009   2.818   7.917  1.00 16.30           N
ATOM      0  H   HIS A  68       2.223   0.897   5.840  1.00  2.94           H   new
ATOM      0  HA  HIS A  68       3.772   3.277   5.523  1.00  4.17           H   new
ATOM      0  HB2 HIS A  68       3.870   2.620   7.816  1.00  5.57           H   new
ATOM      0  HB3 HIS A  68       4.406   1.009   7.383  1.00  5.57           H   new
ATOM      0  HD1 HIS A  68       5.956   4.111   5.784  1.00 13.74           H   new
ATOM      0  HD2 HIS A  68       6.815   1.132   8.624  1.00 12.79           H   new
ATOM      0  HE1 HIS A  68       8.292   4.563   6.766  1.00 14.75           H   new
ATOM   1096  N   LEU A  69       5.402   2.014   3.926  1.00  5.29           N
ATOM   1097  CA  LEU A  69       6.068   1.347   2.850  1.00  3.97           C
ATOM   1098  C   LEU A  69       7.502   1.164   3.211  1.00  5.07           C
ATOM   1099  O   LEU A  69       8.275   2.121   3.231  1.00  4.34           O
ATOM   1100  CB  LEU A  69       5.971   2.211   1.581  1.00  6.08           C
ATOM   1101  CG  LEU A  69       6.732   1.800   0.309  1.00  7.37           C
ATOM   1102  CD1 LEU A  69       6.651   0.274   0.134  1.00  9.96           C
ATOM   1103  CD2 LEU A  69       6.250   2.583  -0.924  1.00  6.87           C
ATOM      0  H   LEU A  69       5.593   3.015   3.977  1.00  5.29           H   new
ATOM      0  HA  LEU A  69       5.604   0.378   2.668  1.00  3.97           H   new
ATOM      0  HB2 LEU A  69       4.916   2.283   1.318  1.00  6.08           H   new
ATOM      0  HB3 LEU A  69       6.302   3.215   1.847  1.00  6.08           H   new
ATOM      0  HG  LEU A  69       7.784   2.064   0.417  1.00  7.37           H   new
ATOM      0 HD11 LEU A  69       7.190  -0.018  -0.767  1.00  9.96           H   new
ATOM      0 HD12 LEU A  69       7.098  -0.216   0.999  1.00  9.96           H   new
ATOM      0 HD13 LEU A  69       5.607  -0.027   0.046  1.00  9.96           H   new
ATOM      0 HD21 LEU A  69       6.813   2.263  -1.801  1.00  6.87           H   new
ATOM      0 HD22 LEU A  69       5.189   2.392  -1.084  1.00  6.87           H   new
ATOM      0 HD23 LEU A  69       6.407   3.649  -0.762  1.00  6.87           H   new
ATOM   1115  N   VAL A  70       7.841  -0.104   3.501  1.00  4.29           N
ATOM   1116  CA  VAL A  70       9.156  -0.512   3.888  1.00  6.26           C
ATOM   1117  C   VAL A  70       9.748  -1.374   2.827  1.00  9.22           C
ATOM   1118  O   VAL A  70       9.032  -1.948   2.008  1.00  9.36           O
ATOM   1119  CB  VAL A  70       9.255  -1.156   5.240  1.00  8.69           C
ATOM   1120  CG1 VAL A  70       8.830  -0.092   6.266  1.00  9.76           C
ATOM   1121  CG2 VAL A  70       8.526  -2.487   5.490  1.00  8.54           C
ATOM      0  H   VAL A  70       7.174  -0.875   3.465  1.00  4.29           H   new
ATOM      0  HA  VAL A  70       9.735   0.405   3.992  1.00  6.26           H   new
ATOM      0  HB  VAL A  70      10.292  -1.480   5.330  1.00  8.69           H   new
ATOM      0 HG11 VAL A  70       8.885  -0.512   7.270  1.00  9.76           H   new
ATOM      0 HG12 VAL A  70       9.496   0.768   6.196  1.00  9.76           H   new
ATOM      0 HG13 VAL A  70       7.807   0.224   6.060  1.00  9.76           H   new
ATOM      0 HG21 VAL A  70       8.702  -2.811   6.516  1.00  8.54           H   new
ATOM      0 HG22 VAL A  70       7.456  -2.351   5.331  1.00  8.54           H   new
ATOM      0 HG23 VAL A  70       8.902  -3.243   4.801  1.00  8.54           H   new
ATOM   1131  N   LEU A  71      11.091  -1.448   2.852  1.00 12.71           N
ATOM   1132  CA  LEU A  71      11.774  -2.228   1.867  1.00 16.06           C
ATOM   1133  C   LEU A  71      11.786  -3.680   2.201  1.00 18.09           C
ATOM   1134  O   LEU A  71      12.377  -4.170   3.162  1.00 19.26           O
ATOM   1135  CB  LEU A  71      13.186  -1.641   1.702  1.00 17.10           C
ATOM   1136  CG  LEU A  71      14.205  -2.456   0.888  1.00 19.37           C
ATOM   1137  CD1 LEU A  71      13.823  -2.655  -0.589  1.00 19.57           C
ATOM   1138  CD2 LEU A  71      15.649  -1.937   0.987  1.00 17.51           C
ATOM      0  H   LEU A  71      11.690  -0.982   3.534  1.00 12.71           H   new
ATOM      0  HA  LEU A  71      11.245  -2.172   0.916  1.00 16.06           H   new
ATOM      0  HB2 LEU A  71      13.090  -0.661   1.235  1.00 17.10           H   new
ATOM      0  HB3 LEU A  71      13.602  -1.481   2.697  1.00 17.10           H   new
ATOM      0  HG  LEU A  71      14.168  -3.432   1.372  1.00 19.37           H   new
ATOM      0 HD11 LEU A  71      14.595  -3.240  -1.089  1.00 19.57           H   new
ATOM      0 HD12 LEU A  71      12.871  -3.183  -0.651  1.00 19.57           H   new
ATOM      0 HD13 LEU A  71      13.731  -1.684  -1.075  1.00 19.57           H   new
ATOM      0 HD21 LEU A  71      16.304  -2.567   0.385  1.00 17.51           H   new
ATOM      0 HD22 LEU A  71      15.693  -0.912   0.620  1.00 17.51           H   new
ATOM      0 HD23 LEU A  71      15.975  -1.964   2.027  1.00 17.51           H   new