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  113:sc=   0.583
USER  MOD Set 1.2: A  57 SER OG  :   rot  -87:sc=   0.598
USER  MOD Single : A   1 MET CE  :methyl -139:sc=  -0.634   (180deg=-2.01)
USER  MOD Single : A   1 MET N   :NH3+    165:sc=    1.22   (180deg=1.02)
USER  MOD Single : A   2 GLN     :      amide:sc=       0  X(o=0,f=-0.052)
USER  MOD Single : A   6 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A   7 THR OG1 :   rot  170:sc= -0.0898
USER  MOD Single : A   9 THR OG1 :   rot  180:sc=  0.0739
USER  MOD Single : A  11 LYS NZ  :NH3+   -144:sc=    1.31   (180deg=1.18)
USER  MOD Single : A  12 THR OG1 :   rot  170:sc=  -0.547
USER  MOD Single : A  14 THR OG1 :   rot  -73:sc=   0.329
USER  MOD Single : A  20 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  22 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  25 ASN     :      amide:sc=   -0.18  K(o=-0.18,f=-0.75)
USER  MOD Single : A  27 LYS NZ  :NH3+   -111:sc=     0.7   (180deg=-0.961!)
USER  MOD Single : A  29 LYS NZ  :NH3+   -170:sc=-0.00936   (180deg=-0.183)
USER  MOD Single : A  31 GLN     :      amide:sc= -0.0243  X(o=-0.024,f=-0.38)
USER  MOD Single : A  33 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  40 GLN     :      amide:sc=  -0.728  K(o=-0.73,f=-4.3!)
USER  MOD Single : A  41 GLN     :      amide:sc=0.000662  X(o=0.00066,f=-0.15)
USER  MOD Single : A  48 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  49 GLN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A  59 TYR OH  :   rot   30:sc=   0.569
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  180:sc=       0
USER  MOD Single : A  66 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  68 HIS     :     no HE2:sc=  -0.634  K(o=-0.63,f=-3.5!)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   MET A   1     -12.478   4.788  -3.966  1.00  9.67           N
ATOM      2  CA  MET A   1     -12.149   4.853  -2.524  1.00 10.38           C
ATOM      3  C   MET A   1     -10.827   5.529  -2.396  1.00  9.62           C
ATOM      4  O   MET A   1      -9.861   5.281  -3.116  1.00  9.62           O
ATOM      5  CB  MET A   1     -12.083   3.449  -1.901  1.00 13.77           C
ATOM      6  CG  MET A   1     -12.038   3.440  -0.371  1.00 16.29           C
ATOM      7  SD  MET A   1     -12.141   1.728   0.233  1.00 17.17           S
ATOM      8  CE  MET A   1     -10.429   1.200  -0.063  1.00 16.11           C
ATOM      0  H1  MET A   1     -13.253   4.111  -4.115  1.00  9.67           H   new
ATOM      0  H2  MET A   1     -12.772   5.729  -4.298  1.00  9.67           H   new
ATOM      0  H3  MET A   1     -11.641   4.479  -4.500  1.00  9.67           H   new
ATOM      0  HA  MET A   1     -12.925   5.405  -1.994  1.00 10.38           H   new
ATOM      0  HB2 MET A   1     -12.950   2.877  -2.231  1.00 13.77           H   new
ATOM      0  HB3 MET A   1     -11.200   2.936  -2.282  1.00 13.77           H   new
ATOM      0  HG2 MET A   1     -11.116   3.905  -0.022  1.00 16.29           H   new
ATOM      0  HG3 MET A   1     -12.863   4.028   0.031  1.00 16.29           H   new
ATOM      0  HE1 MET A   1     -10.425   0.184  -0.458  1.00 16.11           H   new
ATOM      0  HE2 MET A   1      -9.961   1.871  -0.783  1.00 16.11           H   new
ATOM      0  HE3 MET A   1      -9.873   1.227   0.874  1.00 16.11           H   new
ATOM     20  N   GLN A   2     -10.741   6.506  -1.476  1.00  9.27           N
ATOM     21  CA  GLN A   2      -9.593   7.261  -1.081  1.00  9.07           C
ATOM     22  C   GLN A   2      -9.017   6.734   0.188  1.00  8.72           C
ATOM     23  O   GLN A   2      -9.684   6.678   1.220  1.00  8.22           O
ATOM     24  CB  GLN A   2     -10.086   8.707  -0.903  1.00 14.46           C
ATOM     25  CG  GLN A   2     -10.643   9.224  -2.231  1.00 17.01           C
ATOM     26  CD  GLN A   2     -11.153  10.650  -2.084  1.00 20.10           C
ATOM     27  OE1 GLN A   2     -11.356  11.304  -1.062  1.00 21.89           O
ATOM     28  NE2 GLN A   2     -11.476  11.220  -3.275  1.00 19.49           N
ATOM      0  H   GLN A   2     -11.568   6.796  -0.954  1.00  9.27           H   new
ATOM      0  HA  GLN A   2      -8.799   7.198  -1.825  1.00  9.07           H   new
ATOM      0  HB2 GLN A   2     -10.856   8.747  -0.133  1.00 14.46           H   new
ATOM      0  HB3 GLN A   2      -9.267   9.343  -0.568  1.00 14.46           H   new
ATOM      0  HG2 GLN A   2      -9.867   9.188  -2.995  1.00 17.01           H   new
ATOM      0  HG3 GLN A   2     -11.452   8.576  -2.568  1.00 17.01           H   new
ATOM      0 HE21 GLN A   2     -11.322  10.708  -4.144  1.00 19.49           H   new
ATOM      0 HE22 GLN A   2     -11.872  12.160  -3.300  1.00 19.49           H   new
ATOM     37  N   ILE A   3      -7.770   6.231   0.135  1.00  5.87           N
ATOM     38  CA  ILE A   3      -7.057   5.706   1.258  1.00  5.07           C
ATOM     39  C   ILE A   3      -5.767   6.448   1.334  1.00  4.01           C
ATOM     40  O   ILE A   3      -5.296   7.063   0.379  1.00  4.61           O
ATOM     41  CB  ILE A   3      -6.738   4.262   1.011  1.00  6.55           C
ATOM     42  CG1 ILE A   3      -6.216   3.928  -0.397  1.00  4.72           C
ATOM     43  CG2 ILE A   3      -8.071   3.548   1.291  1.00  5.58           C
ATOM     44  CD1 ILE A   3      -5.583   2.545  -0.540  1.00 10.83           C
ATOM      0  H   ILE A   3      -7.234   6.189  -0.732  1.00  5.87           H   new
ATOM      0  HA  ILE A   3      -7.645   5.805   2.170  1.00  5.07           H   new
ATOM      0  HB  ILE A   3      -5.910   3.947   1.647  1.00  6.55           H   new
ATOM      0 HG12 ILE A   3      -7.043   4.007  -1.103  1.00  4.72           H   new
ATOM      0 HG13 ILE A   3      -5.480   4.679  -0.683  1.00  4.72           H   new
ATOM      0 HG21 ILE A   3      -7.948   2.476   1.138  1.00  5.58           H   new
ATOM      0 HG22 ILE A   3      -8.375   3.736   2.321  1.00  5.58           H   new
ATOM      0 HG23 ILE A   3      -8.836   3.926   0.612  1.00  5.58           H   new
ATOM      0 HD11 ILE A   3      -5.246   2.403  -1.567  1.00 10.83           H   new
ATOM      0 HD12 ILE A   3      -4.732   2.463   0.136  1.00 10.83           H   new
ATOM      0 HD13 ILE A   3      -6.319   1.780  -0.291  1.00 10.83           H   new
ATOM     56  N   PHE A   4      -5.057   6.290   2.466  1.00  4.55           N
ATOM     57  CA  PHE A   4      -3.919   7.091   2.795  1.00  4.68           C
ATOM     58  C   PHE A   4      -2.716   6.239   3.010  1.00  5.30           C
ATOM     59  O   PHE A   4      -2.607   5.485   3.976  1.00  5.58           O
ATOM     60  CB  PHE A   4      -4.139   7.750   4.167  1.00  4.83           C
ATOM     61  CG  PHE A   4      -5.217   8.778   4.209  1.00  7.97           C
ATOM     62  CD1 PHE A   4      -5.500   9.527   3.091  1.00  8.34           C
ATOM     63  CD2 PHE A   4      -5.935   8.998   5.361  1.00  6.69           C
ATOM     64  CE1 PHE A   4      -6.459  10.508   3.182  1.00 10.61           C
ATOM     65  CE2 PHE A   4      -6.929   9.946   5.409  1.00  9.10           C
ATOM     66  CZ  PHE A   4      -7.213  10.725   4.312  1.00  8.90           C
ATOM      0  H   PHE A   4      -5.280   5.587   3.171  1.00  4.55           H   new
ATOM      0  HA  PHE A   4      -3.786   7.802   1.980  1.00  4.68           H   new
ATOM      0  HB2 PHE A   4      -4.372   6.972   4.893  1.00  4.83           H   new
ATOM      0  HB3 PHE A   4      -3.205   8.213   4.485  1.00  4.83           H   new
ATOM      0  HD1 PHE A   4      -4.980   9.348   2.161  1.00  8.34           H   new
ATOM      0  HD2 PHE A   4      -5.714   8.416   6.243  1.00  6.69           H   new
ATOM      0  HE1 PHE A   4      -6.629  11.140   2.323  1.00 10.61           H   new
ATOM      0  HE2 PHE A   4      -7.494  10.081   6.320  1.00  9.10           H   new
ATOM      0  HZ  PHE A   4      -7.992  11.473   4.336  1.00  8.90           H   new
ATOM     76  N   VAL A   5      -1.704   6.412   2.141  1.00  4.44           N
ATOM     77  CA  VAL A   5      -0.424   5.802   2.325  1.00  3.87           C
ATOM     78  C   VAL A   5       0.554   6.840   2.757  1.00  4.93           C
ATOM     79  O   VAL A   5       0.716   7.876   2.115  1.00  6.84           O
ATOM     80  CB  VAL A   5      -0.016   5.110   1.058  1.00  2.99           C
ATOM     81  CG1 VAL A   5       1.161   4.198   1.444  1.00  5.28           C
ATOM     82  CG2 VAL A   5      -1.182   4.318   0.443  1.00  9.13           C
ATOM      0  H   VAL A   5      -1.775   6.983   1.299  1.00  4.44           H   new
ATOM      0  HA  VAL A   5      -0.462   5.044   3.107  1.00  3.87           H   new
ATOM      0  HB  VAL A   5       0.277   5.825   0.289  1.00  2.99           H   new
ATOM      0 HG11 VAL A   5       1.509   3.661   0.562  1.00  5.28           H   new
ATOM      0 HG12 VAL A   5       1.974   4.803   1.845  1.00  5.28           H   new
ATOM      0 HG13 VAL A   5       0.835   3.483   2.199  1.00  5.28           H   new
ATOM      0 HG21 VAL A   5      -0.848   3.831  -0.473  1.00  9.13           H   new
ATOM      0 HG22 VAL A   5      -1.523   3.563   1.152  1.00  9.13           H   new
ATOM      0 HG23 VAL A   5      -2.003   4.998   0.214  1.00  9.13           H   new
ATOM     92  N   LYS A   6       1.217   6.643   3.911  1.00  6.04           N
ATOM     93  CA  LYS A   6       2.127   7.557   4.528  1.00  6.12           C
ATOM     94  C   LYS A   6       3.476   6.927   4.587  1.00  6.57           C
ATOM     95  O   LYS A   6       3.592   5.728   4.837  1.00  5.76           O
ATOM     96  CB  LYS A   6       1.571   7.874   5.926  1.00  7.45           C
ATOM     97  CG  LYS A   6       0.264   8.669   5.902  1.00 11.12           C
ATOM     98  CD  LYS A   6      -0.174   9.026   7.324  1.00 14.54           C
ATOM     99  CE  LYS A   6      -1.263  10.100   7.362  1.00 18.84           C
ATOM    100  NZ  LYS A   6      -1.849  10.187   8.719  1.00 20.55           N
ATOM      0  H   LYS A   6       1.108   5.784   4.450  1.00  6.04           H   new
ATOM      0  HA  LYS A   6       2.228   8.486   3.967  1.00  6.12           H   new
ATOM      0  HB2 LYS A   6       1.408   6.940   6.463  1.00  7.45           H   new
ATOM      0  HB3 LYS A   6       2.318   8.437   6.486  1.00  7.45           H   new
ATOM      0  HG2 LYS A   6       0.396   9.579   5.317  1.00 11.12           H   new
ATOM      0  HG3 LYS A   6      -0.515   8.085   5.411  1.00 11.12           H   new
ATOM      0  HD2 LYS A   6      -0.540   8.128   7.822  1.00 14.54           H   new
ATOM      0  HD3 LYS A   6       0.691   9.374   7.888  1.00 14.54           H   new
ATOM      0  HE2 LYS A   6      -0.843  11.064   7.077  1.00 18.84           H   new
ATOM      0  HE3 LYS A   6      -2.041   9.865   6.636  1.00 18.84           H   new
ATOM      0  HZ1 LYS A   6      -2.587  10.920   8.732  1.00 20.55           H   new
ATOM      0  HZ2 LYS A   6      -2.267   9.270   8.976  1.00 20.55           H   new
ATOM      0  HZ3 LYS A   6      -1.105  10.433   9.403  1.00 20.55           H   new
ATOM    114  N   THR A   7       4.482   7.757   4.259  1.00  7.41           N
ATOM    115  CA  THR A   7       5.844   7.335   4.152  1.00  7.48           C
ATOM    116  C   THR A   7       6.586   7.775   5.367  1.00  8.75           C
ATOM    117  O   THR A   7       6.022   8.219   6.366  1.00  8.58           O
ATOM    118  CB  THR A   7       6.429   7.882   2.884  1.00  9.61           C
ATOM    119  OG1 THR A   7       6.554   9.297   2.907  1.00 11.78           O
ATOM    120  CG2 THR A   7       5.563   7.534   1.662  1.00  9.17           C
ATOM      0  H   THR A   7       4.345   8.748   4.063  1.00  7.41           H   new
ATOM      0  HA  THR A   7       5.917   6.249   4.101  1.00  7.48           H   new
ATOM      0  HB  THR A   7       7.414   7.421   2.808  1.00  9.61           H   new
ATOM      0  HG1 THR A   7       7.083   9.591   2.136  1.00 11.78           H   new
ATOM      0 HG21 THR A   7       6.020   7.948   0.763  1.00  9.17           H   new
ATOM      0 HG22 THR A   7       5.488   6.451   1.566  1.00  9.17           H   new
ATOM      0 HG23 THR A   7       4.566   7.957   1.790  1.00  9.17           H   new
ATOM    128  N   LEU A   8       7.901   7.492   5.348  1.00  9.84           N
ATOM    129  CA  LEU A   8       8.845   7.640   6.412  1.00 14.15           C
ATOM    130  C   LEU A   8       9.201   9.033   6.802  1.00 17.37           C
ATOM    131  O   LEU A   8       9.457   9.314   7.972  1.00 17.01           O
ATOM    132  CB  LEU A   8      10.110   6.774   6.283  1.00 16.63           C
ATOM    133  CG  LEU A   8       9.951   5.246   6.347  1.00 18.88           C
ATOM    134  CD1 LEU A   8      11.256   4.474   6.091  1.00 18.59           C
ATOM    135  CD2 LEU A   8       9.431   4.741   7.703  1.00 19.31           C
ATOM      0  H   LEU A   8       8.343   7.124   4.506  1.00  9.84           H   new
ATOM      0  HA  LEU A   8       8.257   7.246   7.241  1.00 14.15           H   new
ATOM      0  HB2 LEU A   8      10.587   7.020   5.334  1.00 16.63           H   new
ATOM      0  HB3 LEU A   8      10.799   7.071   7.073  1.00 16.63           H   new
ATOM      0  HG  LEU A   8       9.228   5.054   5.554  1.00 18.88           H   new
ATOM      0 HD11 LEU A   8      11.063   3.403   6.153  1.00 18.59           H   new
ATOM      0 HD12 LEU A   8      11.634   4.718   5.098  1.00 18.59           H   new
ATOM      0 HD13 LEU A   8      11.997   4.753   6.840  1.00 18.59           H   new
ATOM      0 HD21 LEU A   8       9.343   3.655   7.677  1.00 19.31           H   new
ATOM      0 HD22 LEU A   8      10.127   5.030   8.490  1.00 19.31           H   new
ATOM      0 HD23 LEU A   8       8.454   5.180   7.904  1.00 19.31           H   new
ATOM    147  N   THR A   9       9.105  10.000   5.872  1.00 18.33           N
ATOM    148  CA  THR A   9       9.438  11.383   6.018  1.00 19.24           C
ATOM    149  C   THR A   9       8.230  12.194   6.342  1.00 19.48           C
ATOM    150  O   THR A   9       7.888  12.376   7.510  1.00 23.14           O
ATOM    151  CB  THR A   9      10.146  11.996   4.847  1.00 18.97           C
ATOM    152  OG1 THR A   9       9.505  11.738   3.607  1.00 20.24           O
ATOM    153  CG2 THR A   9      11.579  11.438   4.879  1.00 19.70           C
ATOM      0  H   THR A   9       8.763   9.793   4.934  1.00 18.33           H   new
ATOM      0  HA  THR A   9      10.148  11.401   6.845  1.00 19.24           H   new
ATOM      0  HB  THR A   9      10.137  13.083   4.929  1.00 18.97           H   new
ATOM      0  HG1 THR A   9      10.010  12.163   2.883  1.00 20.24           H   new
ATOM      0 HG21 THR A   9      12.148  11.850   4.046  1.00 19.70           H   new
ATOM      0 HG22 THR A   9      12.057  11.717   5.818  1.00 19.70           H   new
ATOM      0 HG23 THR A   9      11.548  10.352   4.796  1.00 19.70           H   new
ATOM    161  N   GLY A  10       7.448  12.733   5.390  1.00 19.43           N
ATOM    162  CA  GLY A  10       6.177  13.297   5.725  1.00 18.74           C
ATOM    163  C   GLY A  10       5.292  13.386   4.530  1.00 17.62           C
ATOM    164  O   GLY A  10       4.414  14.246   4.493  1.00 19.74           O
ATOM      0  H   GLY A  10       7.691  12.779   4.400  1.00 19.43           H   new
ATOM      0  HA2 GLY A  10       5.697  12.688   6.491  1.00 18.74           H   new
ATOM      0  HA3 GLY A  10       6.318  14.291   6.150  1.00 18.74           H   new
ATOM    168  N   LYS A  11       5.360  12.386   3.633  1.00 13.56           N
ATOM    169  CA  LYS A  11       4.495  12.480   2.498  1.00 11.91           C
ATOM    170  C   LYS A  11       3.265  11.673   2.735  1.00 10.18           C
ATOM    171  O   LYS A  11       3.339  10.558   3.248  1.00  9.10           O
ATOM    172  CB  LYS A  11       5.297  12.000   1.276  1.00 13.43           C
ATOM    173  CG  LYS A  11       4.514  12.240  -0.016  1.00 16.69           C
ATOM    174  CD  LYS A  11       5.156  11.869  -1.355  1.00 17.92           C
ATOM    175  CE  LYS A  11       6.496  12.572  -1.579  1.00 20.81           C
ATOM    176  NZ  LYS A  11       6.985  12.120  -2.901  1.00 21.93           N
ATOM      0  H   LYS A  11       5.967  11.568   3.682  1.00 13.56           H   new
ATOM      0  HA  LYS A  11       4.161  13.502   2.322  1.00 11.91           H   new
ATOM      0  HB2 LYS A  11       6.251  12.526   1.232  1.00 13.43           H   new
ATOM      0  HB3 LYS A  11       5.523  10.939   1.378  1.00 13.43           H   new
ATOM      0  HG2 LYS A  11       3.576  11.691   0.062  1.00 16.69           H   new
ATOM      0  HG3 LYS A  11       4.261  13.300  -0.055  1.00 16.69           H   new
ATOM      0  HD2 LYS A  11       5.305  10.790  -1.396  1.00 17.92           H   new
ATOM      0  HD3 LYS A  11       4.474  12.128  -2.165  1.00 17.92           H   new
ATOM      0  HE2 LYS A  11       6.375  13.655  -1.558  1.00 20.81           H   new
ATOM      0  HE3 LYS A  11       7.206  12.315  -0.793  1.00 20.81           H   new
ATOM      0  HZ1 LYS A  11       8.020  12.024  -2.874  1.00 21.93           H   new
ATOM      0  HZ2 LYS A  11       6.558  11.201  -3.133  1.00 21.93           H   new
ATOM      0  HZ3 LYS A  11       6.721  12.818  -3.626  1.00 21.93           H   new
ATOM    190  N   THR A  12       2.073  12.179   2.372  1.00  9.63           N
ATOM    191  CA  THR A  12       0.928  11.324   2.426  1.00  9.85           C
ATOM    192  C   THR A  12       0.327  11.310   1.063  1.00 11.66           C
ATOM    193  O   THR A  12      -0.126  12.313   0.513  1.00 12.33           O
ATOM    194  CB  THR A  12      -0.151  11.803   3.351  1.00 10.85           C
ATOM    195  OG1 THR A  12       0.338  11.815   4.684  1.00 10.91           O
ATOM    196  CG2 THR A  12      -1.352  10.843   3.386  1.00  9.63           C
ATOM      0  H   THR A  12       1.904  13.134   2.055  1.00  9.63           H   new
ATOM      0  HA  THR A  12       1.272  10.354   2.785  1.00  9.85           H   new
ATOM      0  HB  THR A  12      -0.449  12.787   2.988  1.00 10.85           H   new
ATOM      0  HG1 THR A  12      -0.304  12.276   5.264  1.00 10.91           H   new
ATOM      0 HG21 THR A  12      -2.108  11.231   4.069  1.00  9.63           H   new
ATOM      0 HG22 THR A  12      -1.777  10.755   2.386  1.00  9.63           H   new
ATOM      0 HG23 THR A  12      -1.023   9.862   3.728  1.00  9.63           H   new
ATOM    204  N   ILE A  13       0.220  10.104   0.479  1.00 10.42           N
ATOM    205  CA  ILE A  13      -0.332   9.900  -0.825  1.00 11.84           C
ATOM    206  C   ILE A  13      -1.710   9.407  -0.543  1.00 10.55           C
ATOM    207  O   ILE A  13      -1.904   8.342   0.040  1.00 11.92           O
ATOM    208  CB  ILE A  13       0.516   8.945  -1.611  1.00 14.86           C
ATOM    209  CG1 ILE A  13       1.924   9.530  -1.812  1.00 14.87           C
ATOM    210  CG2 ILE A  13      -0.033   8.794  -3.039  1.00 17.08           C
ATOM    211  CD1 ILE A  13       2.951   8.637  -2.506  1.00 16.46           C
ATOM      0  H   ILE A  13       0.528   9.242   0.929  1.00 10.42           H   new
ATOM      0  HA  ILE A  13      -0.361  10.793  -1.449  1.00 11.84           H   new
ATOM      0  HB  ILE A  13       0.523   8.003  -1.062  1.00 14.86           H   new
ATOM      0 HG12 ILE A  13       1.830  10.450  -2.389  1.00 14.87           H   new
ATOM      0 HG13 ILE A  13       2.320   9.806  -0.834  1.00 14.87           H   new
ATOM      0 HG21 ILE A  13       0.593   8.098  -3.598  1.00 17.08           H   new
ATOM      0 HG22 ILE A  13      -1.053   8.412  -2.998  1.00 17.08           H   new
ATOM      0 HG23 ILE A  13      -0.028   9.765  -3.535  1.00 17.08           H   new
ATOM      0 HD11 ILE A  13       3.900   9.167  -2.585  1.00 16.46           H   new
ATOM      0 HD12 ILE A  13       3.092   7.725  -1.925  1.00 16.46           H   new
ATOM      0 HD13 ILE A  13       2.595   8.380  -3.504  1.00 16.46           H   new
ATOM    223  N   THR A  14      -2.723  10.157  -1.014  1.00  9.39           N
ATOM    224  CA  THR A  14      -4.063   9.665  -1.093  1.00  9.63           C
ATOM    225  C   THR A  14      -4.258   9.008  -2.416  1.00 11.20           C
ATOM    226  O   THR A  14      -4.294   9.628  -3.478  1.00 11.63           O
ATOM    227  CB  THR A  14      -5.063  10.777  -0.974  1.00 10.38           C
ATOM    228  OG1 THR A  14      -4.892  11.429   0.276  1.00 16.30           O
ATOM    229  CG2 THR A  14      -6.485  10.197  -1.046  1.00 11.66           C
ATOM      0  H   THR A  14      -2.611  11.116  -1.344  1.00  9.39           H   new
ATOM      0  HA  THR A  14      -4.215   8.963  -0.273  1.00  9.63           H   new
ATOM      0  HB  THR A  14      -4.914  11.488  -1.787  1.00 10.38           H   new
ATOM      0  HG1 THR A  14      -5.226  10.852   0.994  1.00 16.30           H   new
ATOM      0 HG21 THR A  14      -7.212  11.004  -0.960  1.00 11.66           H   new
ATOM      0 HG22 THR A  14      -6.622   9.686  -1.999  1.00 11.66           H   new
ATOM      0 HG23 THR A  14      -6.631   9.489  -0.230  1.00 11.66           H   new
ATOM    237  N   LEU A  15      -4.284   7.665  -2.354  1.00  8.29           N
ATOM    238  CA  LEU A  15      -4.428   6.889  -3.547  1.00  9.03           C
ATOM    239  C   LEU A  15      -5.890   6.655  -3.713  1.00  8.59           C
ATOM    240  O   LEU A  15      -6.731   6.501  -2.828  1.00  7.79           O
ATOM    241  CB  LEU A  15      -3.729   5.523  -3.448  1.00 11.08           C
ATOM    242  CG  LEU A  15      -2.200   5.600  -3.296  1.00 15.79           C
ATOM    243  CD1 LEU A  15      -1.605   4.210  -3.014  1.00 15.27           C
ATOM    244  CD2 LEU A  15      -1.532   6.199  -4.546  1.00 15.88           C
ATOM      0  H   LEU A  15      -4.207   7.123  -1.493  1.00  8.29           H   new
ATOM      0  HA  LEU A  15      -3.976   7.423  -4.383  1.00  9.03           H   new
ATOM      0  HB2 LEU A  15      -4.139   4.980  -2.597  1.00 11.08           H   new
ATOM      0  HB3 LEU A  15      -3.964   4.943  -4.340  1.00 11.08           H   new
ATOM      0  HG  LEU A  15      -1.999   6.257  -2.449  1.00 15.79           H   new
ATOM      0 HD11 LEU A  15      -0.523   4.292  -2.911  1.00 15.27           H   new
ATOM      0 HD12 LEU A  15      -2.029   3.813  -2.091  1.00 15.27           H   new
ATOM      0 HD13 LEU A  15      -1.841   3.539  -3.840  1.00 15.27           H   new
ATOM      0 HD21 LEU A  15      -0.453   6.236  -4.399  1.00 15.88           H   new
ATOM      0 HD22 LEU A  15      -1.759   5.578  -5.413  1.00 15.88           H   new
ATOM      0 HD23 LEU A  15      -1.911   7.207  -4.713  1.00 15.88           H   new
ATOM    256  N   GLU A  16      -6.235   6.625  -5.012  1.00 11.04           N
ATOM    257  CA  GLU A  16      -7.523   6.245  -5.504  1.00 11.50           C
ATOM    258  C   GLU A  16      -7.578   4.809  -5.896  1.00 10.13           C
ATOM    259  O   GLU A  16      -6.902   4.395  -6.837  1.00  9.83           O
ATOM    260  CB  GLU A  16      -7.974   7.127  -6.680  1.00 17.22           C
ATOM    261  CG  GLU A  16      -8.074   8.614  -6.334  1.00 23.33           C
ATOM    262  CD  GLU A  16      -8.344   9.503  -7.540  1.00 26.99           C
ATOM    263  OE1 GLU A  16      -9.484   9.455  -8.074  1.00 28.86           O
ATOM    264  OE2 GLU A  16      -7.439  10.207  -8.062  1.00 28.90           O
ATOM      0  H   GLU A  16      -5.584   6.878  -5.756  1.00 11.04           H   new
ATOM      0  HA  GLU A  16      -8.214   6.396  -4.675  1.00 11.50           H   new
ATOM      0  HB2 GLU A  16      -7.273   7.002  -7.505  1.00 17.22           H   new
ATOM      0  HB3 GLU A  16      -8.945   6.779  -7.031  1.00 17.22           H   new
ATOM      0  HG2 GLU A  16      -8.870   8.756  -5.603  1.00 23.33           H   new
ATOM      0  HG3 GLU A  16      -7.145   8.931  -5.860  1.00 23.33           H   new
ATOM    271  N   VAL A  17      -8.294   4.009  -5.086  1.00  8.99           N
ATOM    272  CA  VAL A  17      -8.412   2.592  -5.234  1.00  8.85           C
ATOM    273  C   VAL A  17      -9.869   2.285  -5.204  1.00  8.04           C
ATOM    274  O   VAL A  17     -10.678   3.190  -5.000  1.00  8.99           O
ATOM    275  CB  VAL A  17      -7.674   1.730  -4.251  1.00  9.78           C
ATOM    276  CG1 VAL A  17      -6.172   1.885  -4.544  1.00 12.05           C
ATOM    277  CG2 VAL A  17      -8.070   2.293  -2.876  1.00 10.54           C
ATOM      0  H   VAL A  17      -8.817   4.369  -4.288  1.00  8.99           H   new
ATOM      0  HA  VAL A  17      -7.924   2.337  -6.175  1.00  8.85           H   new
ATOM      0  HB  VAL A  17      -7.906   0.666  -4.301  1.00  9.78           H   new
ATOM      0 HG11 VAL A  17      -5.600   1.272  -3.848  1.00 12.05           H   new
ATOM      0 HG12 VAL A  17      -5.965   1.564  -5.565  1.00 12.05           H   new
ATOM      0 HG13 VAL A  17      -5.884   2.930  -4.427  1.00 12.05           H   new
ATOM      0 HG21 VAL A  17      -7.574   1.721  -2.092  1.00 10.54           H   new
ATOM      0 HG22 VAL A  17      -7.767   3.338  -2.810  1.00 10.54           H   new
ATOM      0 HG23 VAL A  17      -9.150   2.220  -2.750  1.00 10.54           H   new
ATOM    287  N   GLU A  18     -10.308   1.016  -5.267  1.00  7.29           N
ATOM    288  CA  GLU A  18     -11.630   0.579  -4.938  1.00  7.08           C
ATOM    289  C   GLU A  18     -11.495  -0.615  -4.057  1.00  6.45           C
ATOM    290  O   GLU A  18     -10.445  -1.254  -4.024  1.00  5.28           O
ATOM    291  CB  GLU A  18     -12.310   0.159  -6.252  1.00 10.28           C
ATOM    292  CG  GLU A  18     -12.487   1.317  -7.236  1.00 12.65           C
ATOM    293  CD  GLU A  18     -13.575   2.356  -7.004  1.00 14.15           C
ATOM    294  OE1 GLU A  18     -14.721   1.913  -6.724  1.00 18.17           O
ATOM    295  OE2 GLU A  18     -13.304   3.586  -7.047  1.00 14.33           O
ATOM      0  H   GLU A  18      -9.705   0.250  -5.565  1.00  7.29           H   new
ATOM      0  HA  GLU A  18     -12.209   1.357  -4.439  1.00  7.08           H   new
ATOM      0  HB2 GLU A  18     -11.718  -0.624  -6.726  1.00 10.28           H   new
ATOM      0  HB3 GLU A  18     -13.286  -0.271  -6.027  1.00 10.28           H   new
ATOM      0  HG2 GLU A  18     -11.537   1.849  -7.285  1.00 12.65           H   new
ATOM      0  HG3 GLU A  18     -12.659   0.882  -8.220  1.00 12.65           H   new
ATOM    302  N   PRO A  19     -12.450  -1.031  -3.279  1.00  7.24           N
ATOM    303  CA  PRO A  19     -12.122  -2.021  -2.295  1.00  7.07           C
ATOM    304  C   PRO A  19     -11.990  -3.406  -2.826  1.00  6.65           C
ATOM    305  O   PRO A  19     -11.386  -4.265  -2.185  1.00  6.37           O
ATOM    306  CB  PRO A  19     -13.293  -2.004  -1.315  1.00  7.61           C
ATOM    307  CG  PRO A  19     -14.452  -1.331  -2.067  1.00  8.16           C
ATOM    308  CD  PRO A  19     -13.714  -0.365  -3.007  1.00  7.49           C
ATOM      0  HA  PRO A  19     -11.151  -1.776  -1.865  1.00  7.07           H   new
ATOM      0  HB2 PRO A  19     -13.560  -3.015  -1.006  1.00  7.61           H   new
ATOM      0  HB3 PRO A  19     -13.039  -1.451  -0.411  1.00  7.61           H   new
ATOM      0  HG2 PRO A  19     -15.054  -2.054  -2.618  1.00  8.16           H   new
ATOM      0  HG3 PRO A  19     -15.125  -0.805  -1.390  1.00  8.16           H   new
ATOM      0  HD2 PRO A  19     -14.278  -0.191  -3.923  1.00  7.49           H   new
ATOM      0  HD3 PRO A  19     -13.560   0.607  -2.539  1.00  7.49           H   new
ATOM    316  N   SER A  20     -12.502  -3.641  -4.048  1.00  6.80           N
ATOM    317  CA  SER A  20     -12.323  -4.960  -4.570  1.00  6.28           C
ATOM    318  C   SER A  20     -11.076  -5.151  -5.363  1.00  8.45           C
ATOM    319  O   SER A  20     -10.880  -6.255  -5.869  1.00  7.26           O
ATOM    320  CB  SER A  20     -13.538  -5.337  -5.434  1.00  8.57           C
ATOM    321  OG  SER A  20     -14.813  -5.201  -4.823  1.00 11.13           O
ATOM      0  H   SER A  20     -13.003  -2.975  -4.637  1.00  6.80           H   new
ATOM      0  HA  SER A  20     -12.230  -5.613  -3.703  1.00  6.28           H   new
ATOM      0  HB2 SER A  20     -13.522  -4.721  -6.333  1.00  8.57           H   new
ATOM      0  HB3 SER A  20     -13.421  -6.372  -5.755  1.00  8.57           H   new
ATOM      0  HG  SER A  20     -15.510  -5.465  -5.459  1.00 11.13           H   new
ATOM    327  N   ASP A  21     -10.188  -4.141  -5.337  1.00  7.50           N
ATOM    328  CA  ASP A  21      -8.836  -4.293  -5.778  1.00  7.70           C
ATOM    329  C   ASP A  21      -7.912  -4.786  -4.718  1.00  7.08           C
ATOM    330  O   ASP A  21      -8.118  -4.739  -3.506  1.00  8.11           O
ATOM    331  CB  ASP A  21      -8.306  -2.955  -6.320  1.00 11.00           C
ATOM    332  CG  ASP A  21      -8.936  -2.759  -7.692  1.00 15.32           C
ATOM    333  OD1 ASP A  21      -8.576  -3.602  -8.555  1.00 14.36           O
ATOM    334  OD2 ASP A  21      -9.705  -1.786  -7.916  1.00 18.03           O
ATOM      0  H   ASP A  21     -10.412  -3.203  -5.004  1.00  7.50           H   new
ATOM      0  HA  ASP A  21      -8.859  -5.051  -6.561  1.00  7.70           H   new
ATOM      0  HB2 ASP A  21      -8.570  -2.135  -5.652  1.00 11.00           H   new
ATOM      0  HB3 ASP A  21      -7.218  -2.970  -6.392  1.00 11.00           H   new
ATOM    339  N   THR A  22      -6.766  -5.272  -5.228  1.00  5.37           N
ATOM    340  CA  THR A  22      -5.871  -5.963  -4.352  1.00  6.01           C
ATOM    341  C   THR A  22      -4.745  -5.104  -3.889  1.00  8.01           C
ATOM    342  O   THR A  22      -4.418  -4.022  -4.374  1.00  8.11           O
ATOM    343  CB  THR A  22      -5.285  -7.237  -4.884  1.00  8.92           C
ATOM    344  OG1 THR A  22      -4.499  -6.894  -6.016  1.00 10.22           O
ATOM    345  CG2 THR A  22      -6.399  -8.187  -5.355  1.00  9.65           C
ATOM      0  H   THR A  22      -6.468  -5.193  -6.200  1.00  5.37           H   new
ATOM      0  HA  THR A  22      -6.528  -6.228  -3.524  1.00  6.01           H   new
ATOM      0  HB  THR A  22      -4.701  -7.729  -4.106  1.00  8.92           H   new
ATOM      0  HG1 THR A  22      -4.096  -7.704  -6.392  1.00 10.22           H   new
ATOM      0 HG21 THR A  22      -5.956  -9.106  -5.738  1.00  9.65           H   new
ATOM      0 HG22 THR A  22      -7.055  -8.422  -4.517  1.00  9.65           H   new
ATOM      0 HG23 THR A  22      -6.977  -7.707  -6.145  1.00  9.65           H   new
ATOM    353  N   ILE A  23      -4.018  -5.658  -2.902  1.00  8.32           N
ATOM    354  CA  ILE A  23      -2.798  -5.068  -2.445  1.00  9.92           C
ATOM    355  C   ILE A  23      -1.781  -4.769  -3.491  1.00 10.01           C
ATOM    356  O   ILE A  23      -1.075  -3.762  -3.456  1.00  8.71           O
ATOM    357  CB  ILE A  23      -2.337  -5.739  -1.184  1.00 10.78           C
ATOM    358  CG1 ILE A  23      -3.451  -5.766  -0.124  1.00 11.38           C
ATOM    359  CG2 ILE A  23      -1.146  -5.073  -0.475  1.00 10.90           C
ATOM    360  CD1 ILE A  23      -4.162  -4.490   0.324  1.00 12.30           C
ATOM      0  H   ILE A  23      -4.277  -6.518  -2.419  1.00  8.32           H   new
ATOM      0  HA  ILE A  23      -3.012  -4.038  -2.161  1.00  9.92           H   new
ATOM      0  HB  ILE A  23      -2.043  -6.727  -1.539  1.00 10.78           H   new
ATOM      0 HG12 ILE A  23      -4.221  -6.444  -0.492  1.00 11.38           H   new
ATOM      0 HG13 ILE A  23      -3.026  -6.221   0.770  1.00 11.38           H   new
ATOM      0 HG21 ILE A  23      -0.895  -5.638   0.423  1.00 10.90           H   new
ATOM      0 HG22 ILE A  23      -0.287  -5.056  -1.145  1.00 10.90           H   new
ATOM      0 HG23 ILE A  23      -1.411  -4.052  -0.200  1.00 10.90           H   new
ATOM      0 HD11 ILE A  23      -4.911  -4.736   1.077  1.00 12.30           H   new
ATOM      0 HD12 ILE A  23      -3.435  -3.798   0.748  1.00 12.30           H   new
ATOM      0 HD13 ILE A  23      -4.648  -4.024  -0.533  1.00 12.30           H   new
ATOM    372  N   GLU A  24      -1.668  -5.555  -4.577  1.00  9.54           N
ATOM    373  CA  GLU A  24      -0.907  -5.375  -5.774  1.00 11.81           C
ATOM    374  C   GLU A  24      -1.290  -4.218  -6.631  1.00 11.14           C
ATOM    375  O   GLU A  24      -0.474  -3.494  -7.200  1.00 10.62           O
ATOM    376  CB  GLU A  24      -0.935  -6.638  -6.652  1.00 19.24           C
ATOM    377  CG  GLU A  24       0.186  -6.835  -7.675  1.00 27.76           C
ATOM    378  CD  GLU A  24       0.340  -8.296  -8.073  1.00 32.92           C
ATOM    379  OE1 GLU A  24      -0.691  -8.904  -8.466  1.00 36.51           O
ATOM    380  OE2 GLU A  24       1.506  -8.773  -8.108  1.00 34.80           O
ATOM      0  H   GLU A  24      -2.183  -6.435  -4.615  1.00  9.54           H   new
ATOM      0  HA  GLU A  24       0.092  -5.164  -5.392  1.00 11.81           H   new
ATOM      0  HB2 GLU A  24      -0.936  -7.504  -5.989  1.00 19.24           H   new
ATOM      0  HB3 GLU A  24      -1.882  -6.647  -7.191  1.00 19.24           H   new
ATOM      0  HG2 GLU A  24      -0.023  -6.237  -8.562  1.00 27.76           H   new
ATOM      0  HG3 GLU A  24       1.125  -6.471  -7.259  1.00 27.76           H   new
ATOM    387  N   ASN A  25      -2.577  -3.832  -6.576  1.00  9.43           N
ATOM    388  CA  ASN A  25      -3.055  -2.636  -7.198  1.00 10.96           C
ATOM    389  C   ASN A  25      -2.697  -1.390  -6.462  1.00  9.68           C
ATOM    390  O   ASN A  25      -2.753  -0.302  -7.034  1.00  9.33           O
ATOM    391  CB  ASN A  25      -4.589  -2.735  -7.219  1.00 16.78           C
ATOM    392  CG  ASN A  25      -5.281  -1.745  -8.146  1.00 22.31           C
ATOM    393  OD1 ASN A  25      -5.786  -0.687  -7.774  1.00 25.66           O
ATOM    394  ND2 ASN A  25      -5.164  -2.012  -9.475  1.00 24.70           N
ATOM      0  H   ASN A  25      -3.301  -4.361  -6.090  1.00  9.43           H   new
ATOM      0  HA  ASN A  25      -2.598  -2.566  -8.185  1.00 10.96           H   new
ATOM      0  HB2 ASN A  25      -4.870  -3.746  -7.515  1.00 16.78           H   new
ATOM      0  HB3 ASN A  25      -4.962  -2.585  -6.206  1.00 16.78           H   new
ATOM      0 HD21 ASN A  25      -5.495  -1.335 -10.162  1.00 24.70           H   new
ATOM      0 HD22 ASN A  25      -4.745  -2.889  -9.784  1.00 24.70           H   new
ATOM    401  N   VAL A  26      -2.374  -1.535  -5.165  1.00  6.52           N
ATOM    402  CA  VAL A  26      -2.024  -0.406  -4.358  1.00  5.53           C
ATOM    403  C   VAL A  26      -0.579  -0.125  -4.588  1.00  4.42           C
ATOM    404  O   VAL A  26      -0.275   1.042  -4.834  1.00  3.40           O
ATOM    405  CB  VAL A  26      -2.242  -0.601  -2.887  1.00  3.86           C
ATOM    406  CG1 VAL A  26      -2.100   0.792  -2.250  1.00  7.25           C
ATOM    407  CG2 VAL A  26      -3.684  -1.100  -2.698  1.00  8.12           C
ATOM      0  H   VAL A  26      -2.355  -2.430  -4.676  1.00  6.52           H   new
ATOM      0  HA  VAL A  26      -2.677   0.416  -4.653  1.00  5.53           H   new
ATOM      0  HB  VAL A  26      -1.543  -1.311  -2.444  1.00  3.86           H   new
ATOM      0 HG11 VAL A  26      -2.249   0.716  -1.173  1.00  7.25           H   new
ATOM      0 HG12 VAL A  26      -1.103   1.185  -2.452  1.00  7.25           H   new
ATOM      0 HG13 VAL A  26      -2.847   1.464  -2.673  1.00  7.25           H   new
ATOM      0 HG21 VAL A  26      -3.880  -1.254  -1.637  1.00  8.12           H   new
ATOM      0 HG22 VAL A  26      -4.380  -0.359  -3.092  1.00  8.12           H   new
ATOM      0 HG23 VAL A  26      -3.816  -2.041  -3.231  1.00  8.12           H   new
ATOM    417  N   LYS A  27       0.318  -1.127  -4.593  1.00  2.64           N
ATOM    418  CA  LYS A  27       1.709  -1.053  -4.918  1.00  4.14           C
ATOM    419  C   LYS A  27       1.903  -0.651  -6.339  1.00  5.58           C
ATOM    420  O   LYS A  27       2.886   0.041  -6.598  1.00  4.11           O
ATOM    421  CB  LYS A  27       2.547  -2.317  -4.663  1.00  3.97           C
ATOM    422  CG  LYS A  27       2.347  -2.637  -3.180  1.00  7.45           C
ATOM    423  CD  LYS A  27       3.227  -3.793  -2.700  1.00  9.02           C
ATOM    424  CE  LYS A  27       2.656  -5.194  -2.927  1.00 12.90           C
ATOM    425  NZ  LYS A  27       3.687  -6.254  -2.850  1.00 15.47           N
ATOM      0  H   LYS A  27       0.041  -2.077  -4.346  1.00  2.64           H   new
ATOM      0  HA  LYS A  27       2.079  -0.302  -4.220  1.00  4.14           H   new
ATOM      0  HB2 LYS A  27       2.216  -3.143  -5.292  1.00  3.97           H   new
ATOM      0  HB3 LYS A  27       3.599  -2.145  -4.891  1.00  3.97           H   new
ATOM      0  HG2 LYS A  27       2.567  -1.749  -2.588  1.00  7.45           H   new
ATOM      0  HG3 LYS A  27       1.300  -2.886  -3.004  1.00  7.45           H   new
ATOM      0  HD2 LYS A  27       4.191  -3.726  -3.204  1.00  9.02           H   new
ATOM      0  HD3 LYS A  27       3.415  -3.665  -1.634  1.00  9.02           H   new
ATOM      0  HE2 LYS A  27       1.883  -5.391  -2.184  1.00 12.90           H   new
ATOM      0  HE3 LYS A  27       2.175  -5.231  -3.905  1.00 12.90           H   new
ATOM      0  HZ1 LYS A  27       3.836  -6.662  -3.795  1.00 15.47           H   new
ATOM      0  HZ2 LYS A  27       4.579  -5.846  -2.504  1.00 15.47           H   new
ATOM      0  HZ3 LYS A  27       3.371  -6.999  -2.197  1.00 15.47           H   new
ATOM    439  N   ALA A  28       1.002  -1.006  -7.272  1.00  6.61           N
ATOM    440  CA  ALA A  28       1.189  -0.501  -8.598  1.00  7.74           C
ATOM    441  C   ALA A  28       1.095   0.982  -8.707  1.00  9.17           C
ATOM    442  O   ALA A  28       1.775   1.620  -9.509  1.00 11.45           O
ATOM    443  CB  ALA A  28       0.039  -0.990  -9.494  1.00  7.68           C
ATOM      0  H   ALA A  28       0.190  -1.606  -7.126  1.00  6.61           H   new
ATOM      0  HA  ALA A  28       2.183  -0.844  -8.884  1.00  7.74           H   new
ATOM      0  HB1 ALA A  28       0.178  -0.607 -10.505  1.00  7.68           H   new
ATOM      0  HB2 ALA A  28       0.033  -2.080  -9.516  1.00  7.68           H   new
ATOM      0  HB3 ALA A  28      -0.910  -0.630  -9.097  1.00  7.68           H   new
ATOM    449  N   LYS A  29       0.391   1.695  -7.810  1.00  8.96           N
ATOM    450  CA  LYS A  29       0.370   3.125  -7.771  1.00  7.90           C
ATOM    451  C   LYS A  29       1.409   3.765  -6.916  1.00  6.92           C
ATOM    452  O   LYS A  29       1.613   4.965  -7.091  1.00  6.87           O
ATOM    453  CB  LYS A  29      -1.009   3.585  -7.270  1.00 10.28           C
ATOM    454  CG  LYS A  29      -2.162   3.170  -8.186  1.00 14.94           C
ATOM    455  CD  LYS A  29      -3.442   2.918  -7.388  1.00 19.69           C
ATOM    456  CE  LYS A  29      -4.590   2.315  -8.200  1.00 22.63           C
ATOM    457  NZ  LYS A  29      -4.717   2.971  -9.521  1.00 24.98           N
ATOM      0  H   LYS A  29      -0.183   1.262  -7.087  1.00  8.96           H   new
ATOM      0  HA  LYS A  29       0.586   3.442  -8.791  1.00  7.90           H   new
ATOM      0  HB2 LYS A  29      -1.180   3.174  -6.275  1.00 10.28           H   new
ATOM      0  HB3 LYS A  29      -1.007   4.670  -7.171  1.00 10.28           H   new
ATOM      0  HG2 LYS A  29      -2.340   3.950  -8.926  1.00 14.94           H   new
ATOM      0  HG3 LYS A  29      -1.888   2.268  -8.733  1.00 14.94           H   new
ATOM      0  HD2 LYS A  29      -3.212   2.250  -6.558  1.00 19.69           H   new
ATOM      0  HD3 LYS A  29      -3.776   3.861  -6.955  1.00 19.69           H   new
ATOM      0  HE2 LYS A  29      -4.420   1.247  -8.337  1.00 22.63           H   new
ATOM      0  HE3 LYS A  29      -5.524   2.421  -7.648  1.00 22.63           H   new
ATOM      0  HZ1 LYS A  29      -5.599   2.664  -9.978  1.00 24.98           H   new
ATOM      0  HZ2 LYS A  29      -4.733   4.003  -9.396  1.00 24.98           H   new
ATOM      0  HZ3 LYS A  29      -3.908   2.707 -10.119  1.00 24.98           H   new
ATOM    471  N   ILE A  30       2.045   2.972  -6.035  1.00  4.57           N
ATOM    472  CA  ILE A  30       3.223   3.394  -5.343  1.00  5.58           C
ATOM    473  C   ILE A  30       4.423   3.248  -6.214  1.00  7.26           C
ATOM    474  O   ILE A  30       5.392   3.999  -6.123  1.00  9.46           O
ATOM    475  CB  ILE A  30       3.404   2.678  -4.037  1.00  5.36           C
ATOM    476  CG1 ILE A  30       2.278   2.890  -3.011  1.00  2.94           C
ATOM    477  CG2 ILE A  30       4.734   3.180  -3.450  1.00  2.78           C
ATOM    478  CD1 ILE A  30       2.065   4.326  -2.536  1.00  2.00           C
ATOM      0  H   ILE A  30       1.739   2.028  -5.800  1.00  4.57           H   new
ATOM      0  HA  ILE A  30       3.099   4.450  -5.103  1.00  5.58           H   new
ATOM      0  HB  ILE A  30       3.390   1.607  -4.240  1.00  5.36           H   new
ATOM      0 HG12 ILE A  30       1.345   2.530  -3.446  1.00  2.94           H   new
ATOM      0 HG13 ILE A  30       2.485   2.268  -2.140  1.00  2.94           H   new
ATOM      0 HG21 ILE A  30       4.918   2.690  -2.494  1.00  2.78           H   new
ATOM      0 HG22 ILE A  30       5.546   2.948  -4.139  1.00  2.78           H   new
ATOM      0 HG23 ILE A  30       4.682   4.258  -3.301  1.00  2.78           H   new
ATOM      0 HD11 ILE A  30       1.247   4.354  -1.816  1.00  2.00           H   new
ATOM      0 HD12 ILE A  30       2.977   4.692  -2.064  1.00  2.00           H   new
ATOM      0 HD13 ILE A  30       1.819   4.959  -3.389  1.00  2.00           H   new
ATOM    490  N   GLN A  31       4.372   2.345  -7.210  1.00  7.06           N
ATOM    491  CA  GLN A  31       5.427   2.020  -8.119  1.00  8.67           C
ATOM    492  C   GLN A  31       5.445   3.039  -9.205  1.00 10.90           C
ATOM    493  O   GLN A  31       6.454   3.352  -9.836  1.00  9.63           O
ATOM    494  CB  GLN A  31       5.054   0.631  -8.664  1.00  9.12           C
ATOM    495  CG  GLN A  31       6.193   0.075  -9.521  1.00 10.76           C
ATOM    496  CD  GLN A  31       5.725  -1.273 -10.052  1.00 13.78           C
ATOM    497  OE1 GLN A  31       5.581  -2.234  -9.299  1.00 14.48           O
ATOM    498  NE2 GLN A  31       5.308  -1.300 -11.346  1.00 14.76           N
ATOM      0  H   GLN A  31       3.528   1.802  -7.392  1.00  7.06           H   new
ATOM      0  HA  GLN A  31       6.416   2.011  -7.661  1.00  8.67           H   new
ATOM      0  HB2 GLN A  31       4.847  -0.048  -7.837  1.00  9.12           H   new
ATOM      0  HB3 GLN A  31       4.142   0.698  -9.258  1.00  9.12           H   new
ATOM      0  HG2 GLN A  31       6.427   0.754 -10.341  1.00 10.76           H   new
ATOM      0  HG3 GLN A  31       7.102  -0.036  -8.931  1.00 10.76           H   new
ATOM      0 HE21 GLN A  31       5.444  -0.484 -11.943  1.00 14.76           H   new
ATOM      0 HE22 GLN A  31       4.859  -2.136 -11.720  1.00 14.76           H   new
ATOM    507  N   ASP A  32       4.299   3.675  -9.508  1.00 10.93           N
ATOM    508  CA  ASP A  32       4.128   4.871 -10.273  1.00 14.01           C
ATOM    509  C   ASP A  32       4.641   6.064  -9.543  1.00 14.04           C
ATOM    510  O   ASP A  32       5.689   6.572  -9.941  1.00 13.39           O
ATOM    511  CB  ASP A  32       2.643   4.919 -10.669  1.00 18.01           C
ATOM    512  CG  ASP A  32       2.555   5.870 -11.855  1.00 24.33           C
ATOM    513  OD1 ASP A  32       3.094   5.541 -12.945  1.00 26.29           O
ATOM    514  OD2 ASP A  32       1.859   6.914 -11.744  1.00 25.17           O
ATOM      0  H   ASP A  32       3.403   3.312  -9.183  1.00 10.93           H   new
ATOM      0  HA  ASP A  32       4.725   4.876 -11.185  1.00 14.01           H   new
ATOM      0  HB2 ASP A  32       2.278   3.927 -10.936  1.00 18.01           H   new
ATOM      0  HB3 ASP A  32       2.029   5.271  -9.840  1.00 18.01           H   new
ATOM    519  N   LYS A  33       3.951   6.444  -8.453  1.00 14.22           N
ATOM    520  CA  LYS A  33       4.224   7.697  -7.819  1.00 14.00           C
ATOM    521  C   LYS A  33       5.488   7.773  -7.034  1.00 12.37           C
ATOM    522  O   LYS A  33       6.240   8.716  -7.273  1.00 12.17           O
ATOM    523  CB  LYS A  33       3.019   8.129  -6.965  1.00 18.62           C
ATOM    524  CG  LYS A  33       1.804   8.594  -7.770  1.00 24.00           C
ATOM    525  CD  LYS A  33       1.874   9.942  -8.489  1.00 27.61           C
ATOM    526  CE  LYS A  33       0.601  10.436  -9.180  1.00 27.64           C
ATOM    527  NZ  LYS A  33       0.810  11.562 -10.116  1.00 30.06           N
ATOM      0  H   LYS A  33       3.213   5.892  -8.015  1.00 14.22           H   new
ATOM      0  HA  LYS A  33       4.385   8.396  -8.640  1.00 14.00           H   new
ATOM      0  HB2 LYS A  33       2.721   7.294  -6.331  1.00 18.62           H   new
ATOM      0  HB3 LYS A  33       3.330   8.936  -6.302  1.00 18.62           H   new
ATOM      0  HG2 LYS A  33       1.591   7.831  -8.518  1.00 24.00           H   new
ATOM      0  HG3 LYS A  33       0.950   8.624  -7.093  1.00 24.00           H   new
ATOM      0  HD2 LYS A  33       2.178  10.696  -7.763  1.00 27.61           H   new
ATOM      0  HD3 LYS A  33       2.664   9.884  -9.238  1.00 27.61           H   new
ATOM      0  HE2 LYS A  33       0.153   9.605  -9.725  1.00 27.64           H   new
ATOM      0  HE3 LYS A  33      -0.116  10.742  -8.418  1.00 27.64           H   new
ATOM      0  HZ1 LYS A  33      -0.100  11.835 -10.540  1.00 30.06           H   new
ATOM      0  HZ2 LYS A  33       1.208  12.373  -9.600  1.00 30.06           H   new
ATOM      0  HZ3 LYS A  33       1.469  11.272 -10.867  1.00 30.06           H   new
ATOM    541  N   GLU A  34       5.814   6.834  -6.128  1.00 10.11           N
ATOM    542  CA  GLU A  34       7.032   6.875  -5.379  1.00 10.07           C
ATOM    543  C   GLU A  34       8.180   6.232  -6.080  1.00  9.32           C
ATOM    544  O   GLU A  34       9.236   6.859  -6.141  1.00 11.61           O
ATOM    545  CB  GLU A  34       6.957   6.208  -3.995  1.00 14.77           C
ATOM    546  CG  GLU A  34       6.119   7.105  -3.082  1.00 18.75           C
ATOM    547  CD  GLU A  34       6.909   8.339  -2.670  1.00 22.28           C
ATOM    548  OE1 GLU A  34       7.871   8.078  -1.899  1.00 21.95           O
ATOM    549  OE2 GLU A  34       6.662   9.464  -3.182  1.00 25.19           O
ATOM      0  H   GLU A  34       5.222   6.032  -5.912  1.00 10.11           H   new
ATOM      0  HA  GLU A  34       7.188   7.948  -5.266  1.00 10.07           H   new
ATOM      0  HB2 GLU A  34       6.508   5.218  -4.073  1.00 14.77           H   new
ATOM      0  HB3 GLU A  34       7.957   6.073  -3.583  1.00 14.77           H   new
ATOM      0  HG2 GLU A  34       5.207   7.406  -3.597  1.00 18.75           H   new
ATOM      0  HG3 GLU A  34       5.816   6.548  -2.195  1.00 18.75           H   new
ATOM    556  N   GLY A  35       8.077   5.018  -6.649  1.00  7.22           N
ATOM    557  CA  GLY A  35       8.973   4.328  -7.525  1.00  6.29           C
ATOM    558  C   GLY A  35       9.898   3.533  -6.670  1.00  6.93           C
ATOM    559  O   GLY A  35      11.103   3.763  -6.757  1.00  7.41           O
ATOM      0  H   GLY A  35       7.252   4.447  -6.467  1.00  7.22           H   new
ATOM      0  HA2 GLY A  35       8.422   3.678  -8.205  1.00  6.29           H   new
ATOM      0  HA3 GLY A  35       9.530   5.034  -8.141  1.00  6.29           H   new
ATOM    563  N   ILE A  36       9.258   2.646  -5.887  1.00  5.86           N
ATOM    564  CA  ILE A  36       9.914   1.730  -5.007  1.00  6.07           C
ATOM    565  C   ILE A  36       9.860   0.430  -5.734  1.00  6.36           C
ATOM    566  O   ILE A  36       8.900   0.092  -6.424  1.00  6.18           O
ATOM    567  CB  ILE A  36       9.172   1.662  -3.706  1.00  7.47           C
ATOM    568  CG1 ILE A  36       8.717   3.010  -3.122  1.00  8.52           C
ATOM    569  CG2 ILE A  36      10.093   0.970  -2.687  1.00  7.36           C
ATOM    570  CD1 ILE A  36       9.847   3.982  -2.784  1.00  9.49           C
ATOM      0  H   ILE A  36       8.242   2.564  -5.867  1.00  5.86           H   new
ATOM      0  HA  ILE A  36      10.937   2.016  -4.764  1.00  6.07           H   new
ATOM      0  HB  ILE A  36       8.250   1.117  -3.908  1.00  7.47           H   new
ATOM      0 HG12 ILE A  36       8.046   3.490  -3.835  1.00  8.52           H   new
ATOM      0 HG13 ILE A  36       8.138   2.820  -2.218  1.00  8.52           H   new
ATOM      0 HG21 ILE A  36       9.585   0.902  -1.725  1.00  7.36           H   new
ATOM      0 HG22 ILE A  36      10.338  -0.032  -3.039  1.00  7.36           H   new
ATOM      0 HG23 ILE A  36      11.010   1.549  -2.573  1.00  7.36           H   new
ATOM      0 HD11 ILE A  36       9.426   4.902  -2.379  1.00  9.49           H   new
ATOM      0 HD12 ILE A  36      10.508   3.529  -2.045  1.00  9.49           H   new
ATOM      0 HD13 ILE A  36      10.414   4.209  -3.687  1.00  9.49           H   new
ATOM    582  N   PRO A  37      10.853  -0.409  -5.751  1.00  8.65           N
ATOM    583  CA  PRO A  37      10.722  -1.707  -6.344  1.00  9.18           C
ATOM    584  C   PRO A  37       9.713  -2.609  -5.722  1.00  9.85           C
ATOM    585  O   PRO A  37       9.428  -2.358  -4.552  1.00  8.51           O
ATOM    586  CB  PRO A  37      12.126  -2.299  -6.243  1.00 11.42           C
ATOM    587  CG  PRO A  37      13.008  -1.061  -6.472  1.00  9.27           C
ATOM    588  CD  PRO A  37      12.247   0.001  -5.663  1.00  8.33           C
ATOM      0  HA  PRO A  37      10.344  -1.608  -7.362  1.00  9.18           H   new
ATOM      0  HB2 PRO A  37      12.308  -2.756  -5.270  1.00 11.42           H   new
ATOM      0  HB3 PRO A  37      12.300  -3.069  -6.994  1.00 11.42           H   new
ATOM      0  HG2 PRO A  37      14.025  -1.207  -6.106  1.00  9.27           H   new
ATOM      0  HG3 PRO A  37      13.083  -0.799  -7.527  1.00  9.27           H   new
ATOM      0  HD2 PRO A  37      12.588   0.032  -4.628  1.00  8.33           H   new
ATOM      0  HD3 PRO A  37      12.395   0.998  -6.077  1.00  8.33           H   new
ATOM    596  N   PRO A  38       9.151  -3.671  -6.220  1.00  8.71           N
ATOM    597  CA  PRO A  38       8.021  -4.302  -5.602  1.00  9.08           C
ATOM    598  C   PRO A  38       8.431  -5.016  -4.360  1.00  9.28           C
ATOM    599  O   PRO A  38       7.506  -5.122  -3.556  1.00  6.50           O
ATOM    600  CB  PRO A  38       7.555  -5.310  -6.650  1.00 10.31           C
ATOM    601  CG  PRO A  38       7.920  -4.620  -7.974  1.00 10.81           C
ATOM    602  CD  PRO A  38       9.275  -3.978  -7.637  1.00 12.00           C
ATOM      0  HA  PRO A  38       7.249  -3.589  -5.313  1.00  9.08           H   new
ATOM      0  HB2 PRO A  38       8.061  -6.269  -6.541  1.00 10.31           H   new
ATOM      0  HB3 PRO A  38       6.485  -5.504  -6.577  1.00 10.31           H   new
ATOM      0  HG2 PRO A  38       7.999  -5.331  -8.796  1.00 10.81           H   new
ATOM      0  HG3 PRO A  38       7.178  -3.877  -8.265  1.00 10.81           H   new
ATOM      0  HD2 PRO A  38      10.103  -4.659  -7.831  1.00 12.00           H   new
ATOM      0  HD3 PRO A  38       9.455  -3.081  -8.230  1.00 12.00           H   new
ATOM    610  N   ASP A  39       9.671  -5.505  -4.183  1.00 11.20           N
ATOM    611  CA  ASP A  39      10.150  -6.190  -3.023  1.00 14.96           C
ATOM    612  C   ASP A  39      10.706  -5.387  -1.897  1.00 13.99           C
ATOM    613  O   ASP A  39      10.595  -5.765  -0.732  1.00 13.75           O
ATOM    614  CB  ASP A  39      11.162  -7.242  -3.508  1.00 24.16           C
ATOM    615  CG  ASP A  39      10.679  -8.212  -4.577  1.00 31.06           C
ATOM    616  OD1 ASP A  39       9.820  -9.066  -4.227  1.00 34.22           O
ATOM    617  OD2 ASP A  39      11.086  -8.160  -5.768  1.00 35.55           O
ATOM      0  H   ASP A  39      10.389  -5.415  -4.902  1.00 11.20           H   new
ATOM      0  HA  ASP A  39       9.264  -6.615  -2.551  1.00 14.96           H   new
ATOM      0  HB2 ASP A  39      12.038  -6.720  -3.893  1.00 24.16           H   new
ATOM      0  HB3 ASP A  39      11.490  -7.822  -2.645  1.00 24.16           H   new
ATOM    622  N   GLN A  40      11.188  -4.164  -2.181  1.00 11.60           N
ATOM    623  CA  GLN A  40      11.622  -3.192  -1.225  1.00 10.76           C
ATOM    624  C   GLN A  40      10.595  -2.592  -0.328  1.00  8.01           C
ATOM    625  O   GLN A  40      10.783  -2.378   0.869  1.00  8.96           O
ATOM    626  CB  GLN A  40      12.313  -2.009  -1.923  1.00 11.14           C
ATOM    627  CG  GLN A  40      13.290  -1.207  -1.060  1.00 14.85           C
ATOM    628  CD  GLN A  40      13.735   0.073  -1.754  1.00 16.11           C
ATOM    629  OE1 GLN A  40      13.296   1.156  -1.371  1.00 20.52           O
ATOM    630  NE2 GLN A  40      14.501  -0.099  -2.864  1.00 18.16           N
ATOM      0  H   GLN A  40      11.280  -3.833  -3.141  1.00 11.60           H   new
ATOM      0  HA  GLN A  40      12.281  -3.789  -0.595  1.00 10.76           H   new
ATOM      0  HB2 GLN A  40      12.851  -2.388  -2.792  1.00 11.14           H   new
ATOM      0  HB3 GLN A  40      11.545  -1.331  -2.295  1.00 11.14           H   new
ATOM      0  HG2 GLN A  40      12.817  -0.960  -0.109  1.00 14.85           H   new
ATOM      0  HG3 GLN A  40      14.162  -1.820  -0.833  1.00 14.85           H   new
ATOM      0 HE21 GLN A  40      14.829  -1.031  -3.118  1.00 18.16           H   new
ATOM      0 HE22 GLN A  40      14.748   0.704  -3.443  1.00 18.16           H   new
ATOM    639  N   GLN A  41       9.437  -2.274  -0.932  1.00  6.52           N
ATOM    640  CA  GLN A  41       8.253  -1.759  -0.317  1.00  3.87           C
ATOM    641  C   GLN A  41       7.401  -2.646   0.524  1.00  4.79           C
ATOM    642  O   GLN A  41       7.172  -3.785   0.120  1.00  6.34           O
ATOM    643  CB  GLN A  41       7.361  -1.071  -1.364  1.00  4.20           C
ATOM    644  CG  GLN A  41       6.893  -1.908  -2.556  1.00  3.20           C
ATOM    645  CD  GLN A  41       6.057  -1.034  -3.480  1.00  4.89           C
ATOM    646  OE1 GLN A  41       4.983  -0.623  -3.045  1.00  5.21           O
ATOM    647  NE2 GLN A  41       6.428  -0.785  -4.765  1.00  7.13           N
ATOM      0  H   GLN A  41       9.320  -2.388  -1.939  1.00  6.52           H   new
ATOM      0  HA  GLN A  41       8.687  -1.078   0.415  1.00  3.87           H   new
ATOM      0  HB2 GLN A  41       6.477  -0.690  -0.853  1.00  4.20           H   new
ATOM      0  HB3 GLN A  41       7.902  -0.208  -1.751  1.00  4.20           H   new
ATOM      0  HG2 GLN A  41       7.752  -2.310  -3.094  1.00  3.20           H   new
ATOM      0  HG3 GLN A  41       6.306  -2.759  -2.211  1.00  3.20           H   new
ATOM      0 HE21 GLN A  41       7.322  -1.131  -5.114  1.00  7.13           H   new
ATOM      0 HE22 GLN A  41       5.813  -0.252  -5.379  1.00  7.13           H   new
ATOM    656  N   ARG A  42       7.004  -2.214   1.734  1.00  5.73           N
ATOM    657  CA  ARG A  42       6.360  -2.989   2.749  1.00  6.97           C
ATOM    658  C   ARG A  42       5.177  -2.232   3.247  1.00  7.15           C
ATOM    659  O   ARG A  42       5.276  -1.184   3.884  1.00  7.33           O
ATOM    660  CB  ARG A  42       7.294  -3.196   3.953  1.00 13.23           C
ATOM    661  CG  ARG A  42       6.626  -4.041   5.040  1.00 21.27           C
ATOM    662  CD  ARG A  42       7.702  -4.542   6.005  1.00 26.14           C
ATOM    663  NE  ARG A  42       7.097  -4.899   7.319  1.00 32.26           N
ATOM    664  CZ  ARG A  42       7.425  -4.421   8.555  1.00 34.32           C
ATOM    665  NH1 ARG A  42       8.587  -3.751   8.809  1.00 35.30           N
ATOM    666  NH2 ARG A  42       6.611  -4.588   9.638  1.00 36.39           N
ATOM      0  H   ARG A  42       7.145  -1.246   2.024  1.00  5.73           H   new
ATOM      0  HA  ARG A  42       6.082  -3.952   2.320  1.00  6.97           H   new
ATOM      0  HB2 ARG A  42       8.212  -3.684   3.624  1.00 13.23           H   new
ATOM      0  HB3 ARG A  42       7.578  -2.228   4.366  1.00 13.23           H   new
ATOM      0  HG2 ARG A  42       5.884  -3.449   5.576  1.00 21.27           H   new
ATOM      0  HG3 ARG A  42       6.098  -4.883   4.592  1.00 21.27           H   new
ATOM      0  HD2 ARG A  42       8.204  -5.412   5.580  1.00 26.14           H   new
ATOM      0  HD3 ARG A  42       8.461  -3.772   6.144  1.00 26.14           H   new
ATOM      0  HE  ARG A  42       6.344  -5.586   7.292  1.00 32.26           H   new
ATOM      0 HH11 ARG A  42       9.256  -3.588   8.057  1.00 35.30           H   new
ATOM      0 HH12 ARG A  42       8.786  -3.414   9.751  1.00 35.30           H   new
ATOM      0 HH21 ARG A  42       5.725  -5.084   9.539  1.00 36.39           H   new
ATOM      0 HH22 ARG A  42       6.889  -4.217  10.547  1.00 36.39           H   new
ATOM    680  N   LEU A  43       3.924  -2.576   2.901  1.00  4.65           N
ATOM    681  CA  LEU A  43       2.714  -1.995   3.393  1.00  3.51           C
ATOM    682  C   LEU A  43       2.245  -2.561   4.689  1.00  5.56           C
ATOM    683  O   LEU A  43       1.801  -3.698   4.844  1.00  4.19           O
ATOM    684  CB  LEU A  43       1.555  -2.066   2.384  1.00  3.74           C
ATOM    685  CG  LEU A  43       1.989  -1.418   1.058  1.00  6.32           C
ATOM    686  CD1 LEU A  43       0.851  -1.604   0.040  1.00  6.41           C
ATOM    687  CD2 LEU A  43       2.289   0.084   1.194  1.00  9.55           C
ATOM      0  H   LEU A  43       3.745  -3.318   2.225  1.00  4.65           H   new
ATOM      0  HA  LEU A  43       2.991  -0.954   3.556  1.00  3.51           H   new
ATOM      0  HB2 LEU A  43       1.267  -3.104   2.217  1.00  3.74           H   new
ATOM      0  HB3 LEU A  43       0.680  -1.553   2.783  1.00  3.74           H   new
ATOM      0  HG  LEU A  43       2.911  -1.903   0.736  1.00  6.32           H   new
ATOM      0 HD11 LEU A  43       1.135  -1.152  -0.910  1.00  6.41           H   new
ATOM      0 HD12 LEU A  43       0.664  -2.668  -0.106  1.00  6.41           H   new
ATOM      0 HD13 LEU A  43      -0.054  -1.124   0.414  1.00  6.41           H   new
ATOM      0 HD21 LEU A  43       2.590   0.484   0.226  1.00  9.55           H   new
ATOM      0 HD22 LEU A  43       1.395   0.604   1.540  1.00  9.55           H   new
ATOM      0 HD23 LEU A  43       3.095   0.230   1.913  1.00  9.55           H   new
ATOM    699  N   ILE A  44       2.307  -1.698   5.718  1.00  4.58           N
ATOM    700  CA  ILE A  44       1.818  -2.004   7.027  1.00  5.55           C
ATOM    701  C   ILE A  44       0.472  -1.410   7.262  1.00  5.46           C
ATOM    702  O   ILE A  44       0.290  -0.198   7.369  1.00  6.04           O
ATOM    703  CB  ILE A  44       2.725  -1.670   8.175  1.00  6.80           C
ATOM    704  CG1 ILE A  44       4.102  -2.293   7.891  1.00 10.31           C
ATOM    705  CG2 ILE A  44       2.213  -2.289   9.487  1.00  7.39           C
ATOM    706  CD1 ILE A  44       5.161  -1.861   8.905  1.00 13.90           C
ATOM      0  H   ILE A  44       2.707  -0.763   5.639  1.00  4.58           H   new
ATOM      0  HA  ILE A  44       1.762  -3.093   7.017  1.00  5.55           H   new
ATOM      0  HB  ILE A  44       2.769  -0.586   8.277  1.00  6.80           H   new
ATOM      0 HG12 ILE A  44       4.015  -3.379   7.902  1.00 10.31           H   new
ATOM      0 HG13 ILE A  44       4.426  -2.010   6.890  1.00 10.31           H   new
ATOM      0 HG21 ILE A  44       2.891  -2.030  10.300  1.00  7.39           H   new
ATOM      0 HG22 ILE A  44       1.218  -1.903   9.707  1.00  7.39           H   new
ATOM      0 HG23 ILE A  44       2.167  -3.373   9.384  1.00  7.39           H   new
ATOM      0 HD11 ILE A  44       6.114  -2.329   8.658  1.00 13.90           H   new
ATOM      0 HD12 ILE A  44       5.271  -0.777   8.876  1.00 13.90           H   new
ATOM      0 HD13 ILE A  44       4.854  -2.168   9.905  1.00 13.90           H   new
ATOM    718  N   PHE A  45      -0.548  -2.264   7.457  1.00  6.75           N
ATOM    719  CA  PHE A  45      -1.763  -1.775   8.032  1.00  4.70           C
ATOM    720  C   PHE A  45      -1.827  -2.321   9.417  1.00  6.34           C
ATOM    721  O   PHE A  45      -1.676  -3.528   9.601  1.00  5.45           O
ATOM    722  CB  PHE A  45      -2.929  -2.352   7.211  1.00  5.51           C
ATOM    723  CG  PHE A  45      -4.277  -2.005   7.743  1.00  5.98           C
ATOM    724  CD1 PHE A  45      -4.743  -0.714   7.654  1.00  6.86           C
ATOM    725  CD2 PHE A  45      -5.097  -2.987   8.246  1.00  5.87           C
ATOM    726  CE1 PHE A  45      -6.020  -0.469   8.100  1.00  6.68           C
ATOM    727  CE2 PHE A  45      -6.412  -2.720   8.549  1.00  6.64           C
ATOM    728  CZ  PHE A  45      -6.891  -1.431   8.555  1.00  6.84           C
ATOM      0  H   PHE A  45      -0.537  -3.258   7.227  1.00  6.75           H   new
ATOM      0  HA  PHE A  45      -1.812  -0.686   8.038  1.00  4.70           H   new
ATOM      0  HB2 PHE A  45      -2.851  -1.991   6.185  1.00  5.51           H   new
ATOM      0  HB3 PHE A  45      -2.832  -3.437   7.175  1.00  5.51           H   new
ATOM      0  HD1 PHE A  45      -4.129   0.077   7.249  1.00  6.86           H   new
ATOM      0  HD2 PHE A  45      -4.704  -3.980   8.405  1.00  5.87           H   new
ATOM      0  HE1 PHE A  45      -6.365   0.555   8.093  1.00  6.68           H   new
ATOM      0  HE2 PHE A  45      -7.079  -3.536   8.786  1.00  6.64           H   new
ATOM      0  HZ  PHE A  45      -7.887  -1.190   8.895  1.00  6.84           H   new
ATOM    738  N   ALA A  46      -1.889  -1.509  10.487  1.00  6.53           N
ATOM    739  CA  ALA A  46      -1.885  -1.976  11.839  1.00  7.15           C
ATOM    740  C   ALA A  46      -0.563  -2.548  12.219  1.00  9.00           C
ATOM    741  O   ALA A  46       0.499  -1.927  12.204  1.00 11.15           O
ATOM    742  CB  ALA A  46      -3.247  -2.596  12.194  1.00  8.99           C
ATOM      0  H   ALA A  46      -1.944  -0.493  10.409  1.00  6.53           H   new
ATOM      0  HA  ALA A  46      -1.883  -1.204  12.609  1.00  7.15           H   new
ATOM      0  HB1 ALA A  46      -3.229  -2.947  13.226  1.00  8.99           H   new
ATOM      0  HB2 ALA A  46      -4.029  -1.846  12.079  1.00  8.99           H   new
ATOM      0  HB3 ALA A  46      -3.449  -3.435  11.529  1.00  8.99           H   new
ATOM    748  N   GLY A  47      -0.526  -3.877  12.420  1.00  9.35           N
ATOM    749  CA  GLY A  47       0.767  -4.458  12.611  1.00 11.68           C
ATOM    750  C   GLY A  47       1.000  -5.462  11.535  1.00 11.14           C
ATOM    751  O   GLY A  47       1.853  -6.346  11.610  1.00 13.93           O
ATOM      0  H   GLY A  47      -1.325  -4.510  12.450  1.00  9.35           H   new
ATOM      0  HA2 GLY A  47       1.537  -3.687  12.582  1.00 11.68           H   new
ATOM      0  HA3 GLY A  47       0.828  -4.932  13.591  1.00 11.68           H   new
ATOM    755  N   LYS A  48       0.076  -5.544  10.562  1.00 10.47           N
ATOM    756  CA  LYS A  48      -0.069  -6.720   9.762  1.00  8.82           C
ATOM    757  C   LYS A  48       0.851  -6.706   8.590  1.00  7.68           C
ATOM    758  O   LYS A  48       0.936  -5.688   7.905  1.00  6.47           O
ATOM    759  CB  LYS A  48      -1.490  -6.916   9.208  1.00  9.74           C
ATOM    760  CG  LYS A  48      -2.331  -7.718  10.204  1.00 14.14           C
ATOM    761  CD  LYS A  48      -3.648  -8.335   9.726  1.00 16.32           C
ATOM    762  CE  LYS A  48      -4.197  -9.126  10.916  1.00 20.04           C
ATOM    763  NZ  LYS A  48      -5.179 -10.123  10.434  1.00 23.92           N
ATOM      0  H   LYS A  48      -0.573  -4.793  10.328  1.00 10.47           H   new
ATOM      0  HA  LYS A  48       0.169  -7.537  10.443  1.00  8.82           H   new
ATOM      0  HB2 LYS A  48      -1.955  -5.947   9.023  1.00  9.74           H   new
ATOM      0  HB3 LYS A  48      -1.448  -7.437   8.251  1.00  9.74           H   new
ATOM      0  HG2 LYS A  48      -1.708  -8.526  10.587  1.00 14.14           H   new
ATOM      0  HG3 LYS A  48      -2.559  -7.064  11.046  1.00 14.14           H   new
ATOM      0  HD2 LYS A  48      -4.350  -7.562   9.413  1.00 16.32           H   new
ATOM      0  HD3 LYS A  48      -3.485  -8.985   8.866  1.00 16.32           H   new
ATOM      0  HE2 LYS A  48      -3.383  -9.626  11.441  1.00 20.04           H   new
ATOM      0  HE3 LYS A  48      -4.669  -8.450  11.629  1.00 20.04           H   new
ATOM      0  HZ1 LYS A  48      -5.553 -10.661  11.242  1.00 23.92           H   new
ATOM      0  HZ2 LYS A  48      -5.961  -9.635   9.952  1.00 23.92           H   new
ATOM      0  HZ3 LYS A  48      -4.715 -10.774   9.769  1.00 23.92           H   new
ATOM    777  N   GLN A  49       1.502  -7.816   8.196  1.00  8.89           N
ATOM    778  CA  GLN A  49       2.150  -7.902   6.925  1.00  7.18           C
ATOM    779  C   GLN A  49       1.073  -8.417   6.034  1.00  8.23           C
ATOM    780  O   GLN A  49       0.383  -9.402   6.295  1.00  9.70           O
ATOM    781  CB  GLN A  49       3.317  -8.896   7.052  1.00 11.67           C
ATOM    782  CG  GLN A  49       4.221  -8.850   5.818  1.00 15.82           C
ATOM    783  CD  GLN A  49       5.184 -10.026   5.731  1.00 20.21           C
ATOM    784  OE1 GLN A  49       6.302 -10.018   6.244  1.00 23.23           O
ATOM    785  NE2 GLN A  49       4.757 -11.021   4.908  1.00 20.67           N
ATOM      0  H   GLN A  49       1.579  -8.660   8.764  1.00  8.89           H   new
ATOM      0  HA  GLN A  49       2.569  -6.968   6.550  1.00  7.18           H   new
ATOM      0  HB2 GLN A  49       3.901  -8.663   7.942  1.00 11.67           H   new
ATOM      0  HB3 GLN A  49       2.926  -9.905   7.182  1.00 11.67           H   new
ATOM      0  HG2 GLN A  49       3.600  -8.831   4.922  1.00 15.82           H   new
ATOM      0  HG3 GLN A  49       4.792  -7.922   5.830  1.00 15.82           H   new
ATOM      0 HE21 GLN A  49       3.820 -10.984   4.506  1.00 20.67           H   new
ATOM      0 HE22 GLN A  49       5.373 -11.805   4.693  1.00 20.67           H   new
ATOM    794  N   LEU A  50       0.827  -7.667   4.945  1.00  6.51           N
ATOM    795  CA  LEU A  50      -0.302  -7.804   4.077  1.00  7.41           C
ATOM    796  C   LEU A  50       0.035  -8.678   2.919  1.00  8.27           C
ATOM    797  O   LEU A  50       1.135  -8.715   2.370  1.00  8.34           O
ATOM    798  CB  LEU A  50      -0.684  -6.434   3.493  1.00  7.13           C
ATOM    799  CG  LEU A  50      -1.289  -5.424   4.483  1.00  7.53           C
ATOM    800  CD1 LEU A  50      -1.605  -4.149   3.683  1.00  9.11           C
ATOM    801  CD2 LEU A  50      -2.606  -5.919   5.104  1.00  8.14           C
ATOM      0  H   LEU A  50       1.456  -6.919   4.653  1.00  6.51           H   new
ATOM      0  HA  LEU A  50      -1.117  -8.229   4.662  1.00  7.41           H   new
ATOM      0  HB2 LEU A  50       0.207  -5.989   3.050  1.00  7.13           H   new
ATOM      0  HB3 LEU A  50      -1.398  -6.592   2.684  1.00  7.13           H   new
ATOM      0  HG  LEU A  50      -0.577  -5.265   5.293  1.00  7.53           H   new
ATOM      0 HD11 LEU A  50      -2.038  -3.401   4.347  1.00  9.11           H   new
ATOM      0 HD12 LEU A  50      -0.687  -3.757   3.245  1.00  9.11           H   new
ATOM      0 HD13 LEU A  50      -2.314  -4.384   2.889  1.00  9.11           H   new
ATOM      0 HD21 LEU A  50      -2.988  -5.167   5.794  1.00  8.14           H   new
ATOM      0 HD22 LEU A  50      -3.338  -6.092   4.315  1.00  8.14           H   new
ATOM      0 HD23 LEU A  50      -2.427  -6.849   5.644  1.00  8.14           H   new
ATOM    813  N   GLU A  51      -0.941  -9.484   2.462  1.00  9.43           N
ATOM    814  CA  GLU A  51      -0.738 -10.232   1.260  1.00 11.90           C
ATOM    815  C   GLU A  51      -1.159  -9.574  -0.009  1.00 11.49           C
ATOM    816  O   GLU A  51      -2.323  -9.215  -0.178  1.00  9.88           O
ATOM    817  CB  GLU A  51      -1.351 -11.624   1.489  1.00 16.56           C
ATOM    818  CG  GLU A  51      -0.741 -12.490   2.594  1.00 26.06           C
ATOM    819  CD  GLU A  51      -1.536 -13.780   2.729  1.00 29.86           C
ATOM    820  OE1 GLU A  51      -1.816 -14.489   1.726  1.00 33.44           O
ATOM    821  OE2 GLU A  51      -1.858 -14.075   3.911  1.00 32.13           O
ATOM      0  H   GLU A  51      -1.847  -9.616   2.911  1.00  9.43           H   new
ATOM      0  HA  GLU A  51       0.334 -10.310   1.081  1.00 11.90           H   new
ATOM      0  HB2 GLU A  51      -2.410 -11.493   1.710  1.00 16.56           H   new
ATOM      0  HB3 GLU A  51      -1.287 -12.178   0.553  1.00 16.56           H   new
ATOM      0  HG2 GLU A  51       0.300 -12.715   2.361  1.00 26.06           H   new
ATOM      0  HG3 GLU A  51      -0.746 -11.948   3.539  1.00 26.06           H   new
ATOM    828  N   ASP A  52      -0.339  -9.513  -1.073  1.00 12.71           N
ATOM    829  CA  ASP A  52      -0.505  -9.020  -2.405  1.00 16.56           C
ATOM    830  C   ASP A  52      -1.814  -9.192  -3.096  1.00 15.83           C
ATOM    831  O   ASP A  52      -2.365  -8.301  -3.742  1.00 17.21           O
ATOM    832  CB  ASP A  52       0.647  -9.636  -3.216  1.00 21.05           C
ATOM    833  CG  ASP A  52       1.902  -8.834  -2.900  1.00 25.12           C
ATOM    834  OD1 ASP A  52       2.007  -8.168  -1.836  1.00 25.82           O
ATOM    835  OD2 ASP A  52       2.799  -8.812  -3.784  1.00 28.37           O
ATOM      0  H   ASP A  52       0.608  -9.877  -0.970  1.00 12.71           H   new
ATOM      0  HA  ASP A  52      -0.488  -7.933  -2.330  1.00 16.56           H   new
ATOM      0  HB2 ASP A  52       0.785 -10.685  -2.953  1.00 21.05           H   new
ATOM      0  HB3 ASP A  52       0.427  -9.601  -4.283  1.00 21.05           H   new
ATOM    840  N   GLY A  53      -2.287 -10.451  -3.077  1.00 15.00           N
ATOM    841  CA  GLY A  53      -3.401 -10.896  -3.854  1.00 11.77           C
ATOM    842  C   GLY A  53      -4.647 -11.093  -3.060  1.00 11.10           C
ATOM    843  O   GLY A  53      -5.596 -11.760  -3.467  1.00 11.25           O
ATOM      0  H   GLY A  53      -1.878 -11.186  -2.499  1.00 15.00           H   new
ATOM      0  HA2 GLY A  53      -3.595 -10.170  -4.643  1.00 11.77           H   new
ATOM      0  HA3 GLY A  53      -3.140 -11.835  -4.342  1.00 11.77           H   new
ATOM    847  N   ARG A  54      -4.771 -10.471  -1.874  1.00  8.53           N
ATOM    848  CA  ARG A  54      -5.977 -10.214  -1.149  1.00  9.05           C
ATOM    849  C   ARG A  54      -6.507  -8.862  -1.482  1.00  8.96           C
ATOM    850  O   ARG A  54      -5.793  -7.981  -1.957  1.00 11.60           O
ATOM    851  CB  ARG A  54      -5.725 -10.296   0.366  1.00  7.97           C
ATOM    852  CG  ARG A  54      -5.475 -11.755   0.753  1.00  9.62           C
ATOM    853  CD  ARG A  54      -5.756 -12.192   2.193  1.00 12.20           C
ATOM    854  NE  ARG A  54      -6.115 -13.637   2.157  1.00 18.23           N
ATOM    855  CZ  ARG A  54      -7.353 -14.197   2.024  1.00 22.08           C
ATOM    856  NH1 ARG A  54      -8.492 -13.443   2.018  1.00 23.38           N
ATOM    857  NH2 ARG A  54      -7.334 -15.551   1.854  1.00 25.50           N
ATOM      0  H   ARG A  54      -3.952 -10.117  -1.379  1.00  8.53           H   new
ATOM      0  HA  ARG A  54      -6.708 -10.971  -1.435  1.00  9.05           H   new
ATOM      0  HB2 ARG A  54      -4.866  -9.682   0.638  1.00  7.97           H   new
ATOM      0  HB3 ARG A  54      -6.583  -9.904   0.912  1.00  7.97           H   new
ATOM      0  HG2 ARG A  54      -6.078 -12.380   0.094  1.00  9.62           H   new
ATOM      0  HG3 ARG A  54      -4.431 -11.980   0.537  1.00  9.62           H   new
ATOM      0  HD2 ARG A  54      -4.880 -12.029   2.821  1.00 12.20           H   new
ATOM      0  HD3 ARG A  54      -6.569 -11.605   2.621  1.00 12.20           H   new
ATOM      0  HE  ARG A  54      -5.337 -14.291   2.243  1.00 18.23           H   new
ATOM      0 HH11 ARG A  54      -8.433 -12.429   2.115  1.00 23.38           H   new
ATOM      0 HH12 ARG A  54      -9.401 -13.894   1.917  1.00 23.38           H   new
ATOM      0 HH21 ARG A  54      -6.445 -16.050   1.836  1.00 25.50           H   new
ATOM      0 HH22 ARG A  54      -8.209 -16.064   1.745  1.00 25.50           H   new
ATOM    871  N   THR A  55      -7.783  -8.591  -1.155  1.00  9.05           N
ATOM    872  CA  THR A  55      -8.436  -7.377  -1.536  1.00  9.03           C
ATOM    873  C   THR A  55      -8.527  -6.499  -0.336  1.00  8.15           C
ATOM    874  O   THR A  55      -8.451  -6.944   0.808  1.00  5.91           O
ATOM    875  CB  THR A  55      -9.811  -7.667  -2.060  1.00 11.15           C
ATOM    876  OG1 THR A  55     -10.672  -8.443  -1.239  1.00 11.95           O
ATOM    877  CG2 THR A  55      -9.628  -8.347  -3.427  1.00 11.71           C
ATOM      0  H   THR A  55      -8.372  -9.226  -0.616  1.00  9.05           H   new
ATOM      0  HA  THR A  55      -7.867  -6.883  -2.324  1.00  9.03           H   new
ATOM      0  HB  THR A  55     -10.329  -6.709  -2.106  1.00 11.15           H   new
ATOM      0  HG1 THR A  55     -11.421  -7.889  -0.934  1.00 11.95           H   new
ATOM      0 HG21 THR A  55     -10.605  -8.579  -3.852  1.00 11.71           H   new
ATOM      0 HG22 THR A  55      -9.091  -7.677  -4.098  1.00 11.71           H   new
ATOM      0 HG23 THR A  55      -9.059  -9.268  -3.302  1.00 11.71           H   new
ATOM    885  N   LEU A  56      -8.681  -5.196  -0.632  1.00  6.91           N
ATOM    886  CA  LEU A  56      -8.794  -4.092   0.270  1.00  8.29           C
ATOM    887  C   LEU A  56      -9.890  -4.193   1.274  1.00  8.05           C
ATOM    888  O   LEU A  56      -9.810  -3.874   2.459  1.00 10.17           O
ATOM    889  CB  LEU A  56      -8.844  -2.701  -0.384  1.00  6.60           C
ATOM    890  CG  LEU A  56      -7.486  -2.227  -0.928  1.00  7.73           C
ATOM    891  CD1 LEU A  56      -7.473  -1.203  -2.075  1.00  8.64           C
ATOM    892  CD2 LEU A  56      -6.532  -1.768   0.188  1.00  9.85           C
ATOM      0  H   LEU A  56      -8.731  -4.887  -1.603  1.00  6.91           H   new
ATOM      0  HA  LEU A  56      -7.844  -4.181   0.797  1.00  8.29           H   new
ATOM      0  HB2 LEU A  56      -9.567  -2.718  -1.200  1.00  6.60           H   new
ATOM      0  HB3 LEU A  56      -9.206  -1.978   0.347  1.00  6.60           H   new
ATOM      0  HG  LEU A  56      -7.130  -3.145  -1.395  1.00  7.73           H   new
ATOM      0 HD11 LEU A  56      -6.443  -0.971  -2.344  1.00  8.64           H   new
ATOM      0 HD12 LEU A  56      -7.989  -1.619  -2.940  1.00  8.64           H   new
ATOM      0 HD13 LEU A  56      -7.978  -0.292  -1.755  1.00  8.64           H   new
ATOM      0 HD21 LEU A  56      -5.588  -1.444  -0.251  1.00  9.85           H   new
ATOM      0 HD22 LEU A  56      -6.982  -0.939   0.734  1.00  9.85           H   new
ATOM      0 HD23 LEU A  56      -6.348  -2.596   0.873  1.00  9.85           H   new
ATOM    904  N   SER A  57     -11.038  -4.775   0.884  1.00  8.92           N
ATOM    905  CA  SER A  57     -12.237  -5.239   1.510  1.00  9.00           C
ATOM    906  C   SER A  57     -12.015  -6.353   2.476  1.00  9.44           C
ATOM    907  O   SER A  57     -12.383  -6.229   3.643  1.00 10.91           O
ATOM    908  CB  SER A  57     -13.301  -5.612   0.465  1.00 10.32           C
ATOM    909  OG  SER A  57     -12.803  -6.543  -0.485  1.00 13.59           O
ATOM      0  H   SER A  57     -11.131  -4.957  -0.115  1.00  8.92           H   new
ATOM      0  HA  SER A  57     -12.609  -4.402   2.101  1.00  9.00           H   new
ATOM      0  HB2 SER A  57     -14.171  -6.035   0.967  1.00 10.32           H   new
ATOM      0  HB3 SER A  57     -13.636  -4.712  -0.050  1.00 10.32           H   new
ATOM      0  HG  SER A  57     -12.360  -6.061  -1.214  1.00 13.59           H   new
ATOM    915  N   ASP A  58     -11.263  -7.408   2.114  1.00  9.11           N
ATOM    916  CA  ASP A  58     -10.903  -8.520   2.937  1.00  7.91           C
ATOM    917  C   ASP A  58     -10.121  -8.121   4.141  1.00  9.12           C
ATOM    918  O   ASP A  58     -10.331  -8.556   5.273  1.00  8.61           O
ATOM    919  CB  ASP A  58     -10.164  -9.542   2.057  1.00  8.41           C
ATOM    920  CG  ASP A  58     -10.213 -10.933   2.673  1.00 11.50           C
ATOM    921  OD1 ASP A  58     -11.284 -11.597   2.655  1.00 10.05           O
ATOM    922  OD2 ASP A  58      -9.182 -11.334   3.275  1.00 11.70           O
ATOM      0  H   ASP A  58     -10.878  -7.488   1.173  1.00  9.11           H   new
ATOM      0  HA  ASP A  58     -11.805  -8.976   3.344  1.00  7.91           H   new
ATOM      0  HB2 ASP A  58     -10.614  -9.564   1.064  1.00  8.41           H   new
ATOM      0  HB3 ASP A  58      -9.126  -9.234   1.930  1.00  8.41           H   new
ATOM    927  N   TYR A  59      -9.115  -7.237   4.021  1.00  7.97           N
ATOM    928  CA  TYR A  59      -8.323  -6.634   5.048  1.00  8.45           C
ATOM    929  C   TYR A  59      -9.025  -5.569   5.819  1.00 10.98           C
ATOM    930  O   TYR A  59      -8.471  -5.222   6.861  1.00 12.95           O
ATOM    931  CB  TYR A  59      -7.043  -6.047   4.430  1.00  7.94           C
ATOM    932  CG  TYR A  59      -6.061  -7.156   4.271  1.00  6.91           C
ATOM    933  CD1 TYR A  59      -5.647  -7.818   5.403  1.00  6.98           C
ATOM    934  CD2 TYR A  59      -5.539  -7.524   3.053  1.00  4.59           C
ATOM    935  CE1 TYR A  59      -4.679  -8.793   5.359  1.00  6.52           C
ATOM    936  CE2 TYR A  59      -4.569  -8.498   3.026  1.00  5.39           C
ATOM    937  CZ  TYR A  59      -4.101  -9.127   4.156  1.00  6.76           C
ATOM    938  OH  TYR A  59      -3.234 -10.240   4.143  1.00  7.63           O
ATOM      0  H   TYR A  59      -8.827  -6.910   3.099  1.00  7.97           H   new
ATOM      0  HA  TYR A  59      -8.096  -7.429   5.758  1.00  8.45           H   new
ATOM      0  HB2 TYR A  59      -7.261  -5.589   3.465  1.00  7.94           H   new
ATOM      0  HB3 TYR A  59      -6.635  -5.265   5.070  1.00  7.94           H   new
ATOM      0  HD1 TYR A  59      -6.095  -7.565   6.353  1.00  6.98           H   new
ATOM      0  HD2 TYR A  59      -5.882  -7.059   2.141  1.00  4.59           H   new
ATOM      0  HE1 TYR A  59      -4.373  -9.295   6.265  1.00  6.52           H   new
ATOM      0  HE2 TYR A  59      -4.154  -8.783   2.070  1.00  5.39           H   new
ATOM      0  HH  TYR A  59      -3.514 -10.881   4.829  1.00  7.63           H   new
ATOM    948  N   ASN A  60     -10.214  -5.066   5.444  1.00 12.38           N
ATOM    949  CA  ASN A  60     -10.994  -4.067   6.106  1.00 13.94           C
ATOM    950  C   ASN A  60     -10.386  -2.711   5.998  1.00 14.16           C
ATOM    951  O   ASN A  60     -10.497  -1.954   6.961  1.00 14.26           O
ATOM    952  CB  ASN A  60     -11.537  -4.559   7.459  1.00 19.23           C
ATOM    953  CG  ASN A  60     -12.419  -5.799   7.486  1.00 22.65           C
ATOM    954  OD1 ASN A  60     -13.592  -5.761   7.120  1.00 25.45           O
ATOM    955  ND2 ASN A  60     -11.919  -6.965   7.977  1.00 24.09           N
ATOM      0  H   ASN A  60     -10.672  -5.393   4.593  1.00 12.38           H   new
ATOM      0  HA  ASN A  60     -11.929  -3.898   5.571  1.00 13.94           H   new
ATOM      0  HB2 ASN A  60     -10.683  -4.747   8.109  1.00 19.23           H   new
ATOM      0  HB3 ASN A  60     -12.103  -3.741   7.905  1.00 19.23           H   new
ATOM      0 HD21 ASN A  60     -12.515  -7.790   8.037  1.00 24.09           H   new
ATOM      0 HD22 ASN A  60     -10.948  -7.014   8.285  1.00 24.09           H   new
ATOM    962  N   ILE A  61      -9.766  -2.420   4.841  1.00 11.08           N
ATOM    963  CA  ILE A  61      -9.060  -1.198   4.615  1.00 11.78           C
ATOM    964  C   ILE A  61     -10.004  -0.165   4.102  1.00 13.74           C
ATOM    965  O   ILE A  61     -10.148  -0.064   2.885  1.00 14.60           O
ATOM    966  CB  ILE A  61      -7.839  -1.428   3.774  1.00 11.80           C
ATOM    967  CG1 ILE A  61      -6.815  -2.125   4.685  1.00 11.56           C
ATOM    968  CG2 ILE A  61      -7.216  -0.070   3.410  1.00 13.29           C
ATOM    969  CD1 ILE A  61      -5.723  -2.752   3.820  1.00 11.42           C
ATOM      0  H   ILE A  61      -9.755  -3.052   4.041  1.00 11.08           H   new
ATOM      0  HA  ILE A  61      -8.667  -0.803   5.552  1.00 11.78           H   new
ATOM      0  HB  ILE A  61      -8.090  -1.997   2.879  1.00 11.80           H   new
ATOM      0 HG12 ILE A  61      -6.379  -1.407   5.379  1.00 11.56           H   new
ATOM      0 HG13 ILE A  61      -7.306  -2.891   5.285  1.00 11.56           H   new
ATOM      0 HG21 ILE A  61      -6.328  -0.229   2.799  1.00 13.29           H   new
ATOM      0 HG22 ILE A  61      -7.939   0.524   2.851  1.00 13.29           H   new
ATOM      0 HG23 ILE A  61      -6.939   0.459   4.322  1.00 13.29           H   new
ATOM      0 HD11 ILE A  61      -4.993  -3.248   4.459  1.00 11.42           H   new
ATOM      0 HD12 ILE A  61      -6.169  -3.481   3.144  1.00 11.42           H   new
ATOM      0 HD13 ILE A  61      -5.227  -1.974   3.239  1.00 11.42           H   new
ATOM    981  N   GLN A  62     -10.675   0.537   5.033  1.00 13.97           N
ATOM    982  CA  GLN A  62     -11.712   1.462   4.695  1.00 15.52           C
ATOM    983  C   GLN A  62     -11.227   2.768   4.167  1.00 13.94           C
ATOM    984  O   GLN A  62     -10.024   2.939   3.975  1.00 12.15           O
ATOM    985  CB  GLN A  62     -12.646   1.594   5.910  1.00 19.53           C
ATOM    986  CG  GLN A  62     -13.251   0.335   6.535  1.00 26.38           C
ATOM    987  CD  GLN A  62     -14.353  -0.311   5.708  1.00 30.61           C
ATOM    988  OE1 GLN A  62     -15.553  -0.049   5.783  1.00 33.23           O
ATOM    989  NE2 GLN A  62     -13.876  -1.097   4.706  1.00 32.71           N
ATOM      0  H   GLN A  62     -10.495   0.462   6.034  1.00 13.97           H   new
ATOM      0  HA  GLN A  62     -12.271   1.064   3.848  1.00 15.52           H   new
ATOM      0  HB2 GLN A  62     -12.093   2.114   6.692  1.00 19.53           H   new
ATOM      0  HB3 GLN A  62     -13.472   2.243   5.618  1.00 19.53           H   new
ATOM      0  HG2 GLN A  62     -12.457  -0.395   6.693  1.00 26.38           H   new
ATOM      0  HG3 GLN A  62     -13.651   0.588   7.517  1.00 26.38           H   new
ATOM      0 HE21 GLN A  62     -12.879  -1.308   4.654  1.00 32.71           H   new
ATOM      0 HE22 GLN A  62     -14.515  -1.476   4.007  1.00 32.71           H   new
ATOM    998  N   LYS A  63     -12.116   3.728   3.853  1.00 11.73           N
ATOM    999  CA  LYS A  63     -11.802   5.015   3.314  1.00 11.97           C
ATOM   1000  C   LYS A  63     -11.178   5.878   4.356  1.00 10.41           C
ATOM   1001  O   LYS A  63     -11.572   5.773   5.517  1.00  9.59           O
ATOM   1002  CB  LYS A  63     -13.086   5.673   2.781  1.00 13.73           C
ATOM   1003  CG  LYS A  63     -14.261   5.790   3.754  1.00 16.98           C
ATOM   1004  CD  LYS A  63     -15.584   6.190   3.097  1.00 20.19           C
ATOM   1005  CE  LYS A  63     -16.840   5.800   3.877  1.00 23.42           C
ATOM   1006  NZ  LYS A  63     -16.969   6.463   5.194  1.00 25.97           N
ATOM      0  H   LYS A  63     -13.119   3.596   3.985  1.00 11.73           H   new
ATOM      0  HA  LYS A  63     -11.090   4.895   2.497  1.00 11.97           H   new
ATOM      0  HB2 LYS A  63     -12.834   6.674   2.432  1.00 13.73           H   new
ATOM      0  HB3 LYS A  63     -13.421   5.107   1.912  1.00 13.73           H   new
ATOM      0  HG2 LYS A  63     -14.395   4.834   4.261  1.00 16.98           H   new
ATOM      0  HG3 LYS A  63     -14.012   6.525   4.520  1.00 16.98           H   new
ATOM      0  HD2 LYS A  63     -15.587   7.270   2.951  1.00 20.19           H   new
ATOM      0  HD3 LYS A  63     -15.633   5.734   2.108  1.00 20.19           H   new
ATOM      0  HE2 LYS A  63     -17.717   6.040   3.275  1.00 23.42           H   new
ATOM      0  HE3 LYS A  63     -16.841   4.720   4.025  1.00 23.42           H   new
ATOM      0  HZ1 LYS A  63     -17.844   6.146   5.658  1.00 25.97           H   new
ATOM      0  HZ2 LYS A  63     -16.153   6.215   5.789  1.00 25.97           H   new
ATOM      0  HZ3 LYS A  63     -17.001   7.494   5.062  1.00 25.97           H   new
ATOM   1020  N   GLU A  64     -10.097   6.602   4.015  1.00 10.04           N
ATOM   1021  CA  GLU A  64      -9.420   7.382   5.004  1.00 10.94           C
ATOM   1022  C   GLU A  64      -8.860   6.544   6.102  1.00  9.74           C
ATOM   1023  O   GLU A  64      -8.845   6.921   7.273  1.00  9.42           O
ATOM   1024  CB  GLU A  64     -10.138   8.631   5.542  1.00 18.31           C
ATOM   1025  CG  GLU A  64     -10.553   9.682   4.511  1.00 24.16           C
ATOM   1026  CD  GLU A  64     -11.726  10.472   5.073  1.00 29.00           C
ATOM   1027  OE1 GLU A  64     -12.313  10.055   6.108  1.00 31.72           O
ATOM   1028  OE2 GLU A  64     -12.094  11.392   4.296  1.00 32.61           O
ATOM      0  H   GLU A  64      -9.699   6.648   3.077  1.00 10.04           H   new
ATOM      0  HA  GLU A  64      -8.599   7.812   4.430  1.00 10.94           H   new
ATOM      0  HB2 GLU A  64     -11.031   8.307   6.076  1.00 18.31           H   new
ATOM      0  HB3 GLU A  64      -9.486   9.110   6.273  1.00 18.31           H   new
ATOM      0  HG2 GLU A  64      -9.718  10.348   4.291  1.00 24.16           H   new
ATOM      0  HG3 GLU A  64     -10.834   9.203   3.573  1.00 24.16           H   new
ATOM   1035  N   SER A  65      -8.417   5.352   5.664  1.00  6.85           N
ATOM   1036  CA  SER A  65      -7.688   4.378   6.415  1.00  6.90           C
ATOM   1037  C   SER A  65      -6.259   4.388   5.992  1.00  4.72           C
ATOM   1038  O   SER A  65      -5.928   4.820   4.889  1.00  3.91           O
ATOM   1039  CB  SER A  65      -8.252   2.951   6.517  1.00  7.28           C
ATOM   1040  OG  SER A  65      -8.134   2.371   7.808  1.00 10.56           O
ATOM      0  H   SER A  65      -8.583   5.046   4.705  1.00  6.85           H   new
ATOM      0  HA  SER A  65      -7.802   4.711   7.447  1.00  6.90           H   new
ATOM      0  HB2 SER A  65      -9.304   2.967   6.232  1.00  7.28           H   new
ATOM      0  HB3 SER A  65      -7.736   2.316   5.797  1.00  7.28           H   new
ATOM      0  HG  SER A  65      -8.514   1.468   7.797  1.00 10.56           H   new
ATOM   1046  N   THR A  66      -5.344   4.107   6.937  1.00  4.48           N
ATOM   1047  CA  THR A  66      -3.993   4.551   6.785  1.00  3.80           C
ATOM   1048  C   THR A  66      -3.014   3.429   6.826  1.00  4.60           C
ATOM   1049  O   THR A  66      -2.887   2.644   7.764  1.00  5.33           O
ATOM   1050  CB  THR A  66      -3.504   5.541   7.800  1.00  2.85           C
ATOM   1051  OG1 THR A  66      -4.353   6.680   7.818  1.00  2.15           O
ATOM   1052  CG2 THR A  66      -2.097   6.072   7.480  1.00  3.40           C
ATOM      0  H   THR A  66      -5.534   3.582   7.791  1.00  4.48           H   new
ATOM      0  HA  THR A  66      -4.039   5.036   5.810  1.00  3.80           H   new
ATOM      0  HB  THR A  66      -3.495   5.010   8.752  1.00  2.85           H   new
ATOM      0  HG1 THR A  66      -4.027   7.320   8.484  1.00  2.15           H   new
ATOM      0 HG21 THR A  66      -1.794   6.784   8.247  1.00  3.40           H   new
ATOM      0 HG22 THR A  66      -1.391   5.242   7.457  1.00  3.40           H   new
ATOM      0 HG23 THR A  66      -2.107   6.567   6.509  1.00  3.40           H   new
ATOM   1060  N   LEU A  67      -2.256   3.288   5.723  1.00  4.17           N
ATOM   1061  CA  LEU A  67      -1.267   2.308   5.399  1.00  3.85           C
ATOM   1062  C   LEU A  67       0.097   2.878   5.593  1.00  3.80           C
ATOM   1063  O   LEU A  67       0.385   4.028   5.267  1.00  5.54           O
ATOM   1064  CB  LEU A  67      -1.281   1.790   3.952  1.00  7.18           C
ATOM   1065  CG  LEU A  67      -2.599   1.102   3.560  1.00  9.67           C
ATOM   1066  CD1 LEU A  67      -2.440   0.603   2.113  1.00 11.66           C
ATOM   1067  CD2 LEU A  67      -3.065  -0.035   4.485  1.00  8.12           C
ATOM      0  H   LEU A  67      -2.355   3.955   4.958  1.00  4.17           H   new
ATOM      0  HA  LEU A  67      -1.510   1.478   6.063  1.00  3.85           H   new
ATOM      0  HB2 LEU A  67      -1.100   2.624   3.274  1.00  7.18           H   new
ATOM      0  HB3 LEU A  67      -0.459   1.086   3.818  1.00  7.18           H   new
ATOM      0  HG  LEU A  67      -3.391   1.844   3.661  1.00  9.67           H   new
ATOM      0 HD11 LEU A  67      -3.357   0.107   1.796  1.00 11.66           H   new
ATOM      0 HD12 LEU A  67      -2.240   1.449   1.456  1.00 11.66           H   new
ATOM      0 HD13 LEU A  67      -1.610  -0.101   2.060  1.00 11.66           H   new
ATOM      0 HD21 LEU A  67      -4.003  -0.446   4.112  1.00  8.12           H   new
ATOM      0 HD22 LEU A  67      -2.309  -0.819   4.507  1.00  8.12           H   new
ATOM      0 HD23 LEU A  67      -3.214   0.353   5.492  1.00  8.12           H   new
ATOM   1079  N   HIS A  68       1.022   2.210   6.305  1.00  2.94           N
ATOM   1080  CA  HIS A  68       2.305   2.750   6.630  1.00  4.17           C
ATOM   1081  C   HIS A  68       3.250   2.092   5.684  1.00  5.32           C
ATOM   1082  O   HIS A  68       3.480   0.888   5.792  1.00  7.70           O
ATOM   1083  CB  HIS A  68       2.558   2.490   8.125  1.00  5.57           C
ATOM   1084  CG  HIS A  68       1.339   3.005   8.830  1.00  9.95           C
ATOM   1085  ND1 HIS A  68       0.158   2.301   8.952  1.00 13.74           N
ATOM   1086  CD2 HIS A  68       1.033   4.167   9.467  1.00 12.79           C
ATOM   1087  CE1 HIS A  68      -0.755   3.045   9.632  1.00 14.75           C
ATOM   1088  NE2 HIS A  68      -0.240   4.204   9.997  1.00 16.30           N
ATOM      0  H   HIS A  68       0.873   1.267   6.665  1.00  2.94           H   new
ATOM      0  HA  HIS A  68       2.413   3.828   6.510  1.00  4.17           H   new
ATOM      0  HB2 HIS A  68       2.705   1.428   8.320  1.00  5.57           H   new
ATOM      0  HB3 HIS A  68       3.456   3.004   8.467  1.00  5.57           H   new
ATOM      0  HD1 HIS A  68      -0.006   1.363   8.587  1.00 13.74           H   new
ATOM      0  HD2 HIS A  68       1.727   4.990   9.551  1.00 12.79           H   new
ATOM      0  HE1 HIS A  68      -1.766   2.730   9.845  1.00 14.75           H   new
ATOM   1096  N   LEU A  69       3.706   2.812   4.644  1.00  5.29           N
ATOM   1097  CA  LEU A  69       4.727   2.267   3.804  1.00  3.97           C
ATOM   1098  C   LEU A  69       6.005   2.483   4.540  1.00  5.07           C
ATOM   1099  O   LEU A  69       6.422   3.624   4.726  1.00  4.34           O
ATOM   1100  CB  LEU A  69       4.827   2.979   2.445  1.00  6.08           C
ATOM   1101  CG  LEU A  69       6.076   2.757   1.575  1.00  7.37           C
ATOM   1102  CD1 LEU A  69       6.222   1.270   1.207  1.00  9.96           C
ATOM   1103  CD2 LEU A  69       6.130   3.550   0.258  1.00  6.87           C
ATOM      0  H   LEU A  69       3.380   3.744   4.389  1.00  5.29           H   new
ATOM      0  HA  LEU A  69       4.506   1.220   3.595  1.00  3.97           H   new
ATOM      0  HB2 LEU A  69       3.959   2.685   1.855  1.00  6.08           H   new
ATOM      0  HB3 LEU A  69       4.740   4.050   2.628  1.00  6.08           H   new
ATOM      0  HG  LEU A  69       6.887   3.122   2.205  1.00  7.37           H   new
ATOM      0 HD11 LEU A  69       7.111   1.133   0.592  1.00  9.96           H   new
ATOM      0 HD12 LEU A  69       6.316   0.677   2.117  1.00  9.96           H   new
ATOM      0 HD13 LEU A  69       5.343   0.945   0.651  1.00  9.96           H   new
ATOM      0 HD21 LEU A  69       7.053   3.314  -0.271  1.00  6.87           H   new
ATOM      0 HD22 LEU A  69       5.276   3.281  -0.364  1.00  6.87           H   new
ATOM      0 HD23 LEU A  69       6.098   4.618   0.475  1.00  6.87           H   new
ATOM   1115  N   VAL A  70       6.654   1.342   4.833  1.00  4.29           N
ATOM   1116  CA  VAL A  70       7.979   1.237   5.361  1.00  6.26           C
ATOM   1117  C   VAL A  70       8.849   0.612   4.325  1.00  9.22           C
ATOM   1118  O   VAL A  70       8.397  -0.189   3.508  1.00  9.36           O
ATOM   1119  CB  VAL A  70       8.011   0.397   6.604  1.00  8.69           C
ATOM   1120  CG1 VAL A  70       9.455   0.103   7.044  1.00  9.76           C
ATOM   1121  CG2 VAL A  70       7.321   1.199   7.720  1.00  8.54           C
ATOM      0  H   VAL A  70       6.222   0.429   4.691  1.00  4.29           H   new
ATOM      0  HA  VAL A  70       8.333   2.235   5.621  1.00  6.26           H   new
ATOM      0  HB  VAL A  70       7.511  -0.552   6.408  1.00  8.69           H   new
ATOM      0 HG11 VAL A  70       9.443  -0.507   7.947  1.00  9.76           H   new
ATOM      0 HG12 VAL A  70       9.975  -0.433   6.250  1.00  9.76           H   new
ATOM      0 HG13 VAL A  70       9.972   1.041   7.247  1.00  9.76           H   new
ATOM      0 HG21 VAL A  70       7.325   0.618   8.642  1.00  8.54           H   new
ATOM      0 HG22 VAL A  70       7.856   2.135   7.879  1.00  8.54           H   new
ATOM      0 HG23 VAL A  70       6.292   1.413   7.431  1.00  8.54           H   new
ATOM   1131  N   LEU A  71      10.095   1.108   4.216  1.00 12.71           N
ATOM   1132  CA  LEU A  71      11.017   0.532   3.287  1.00 16.06           C
ATOM   1133  C   LEU A  71      11.917  -0.479   3.911  1.00 18.09           C
ATOM   1134  O   LEU A  71      12.177  -0.392   5.109  1.00 19.26           O
ATOM   1135  CB  LEU A  71      11.916   1.642   2.718  1.00 17.10           C
ATOM   1136  CG  LEU A  71      11.221   2.617   1.753  1.00 19.37           C
ATOM   1137  CD1 LEU A  71      12.109   3.823   1.403  1.00 19.57           C
ATOM   1138  CD2 LEU A  71      10.640   1.894   0.526  1.00 17.51           C
ATOM      0  H   LEU A  71      10.459   1.891   4.759  1.00 12.71           H   new
ATOM      0  HA  LEU A  71      10.419   0.041   2.519  1.00 16.06           H   new
ATOM      0  HB2 LEU A  71      12.332   2.212   3.549  1.00 17.10           H   new
ATOM      0  HB3 LEU A  71      12.755   1.178   2.199  1.00 17.10           H   new
ATOM      0  HG  LEU A  71      10.363   3.038   2.277  1.00 19.37           H   new
ATOM      0 HD11 LEU A  71      11.574   4.482   0.719  1.00 19.57           H   new
ATOM      0 HD12 LEU A  71      12.357   4.369   2.313  1.00 19.57           H   new
ATOM      0 HD13 LEU A  71      13.026   3.474   0.928  1.00 19.57           H   new
ATOM      0 HD21 LEU A  71      10.158   2.619  -0.129  1.00 17.51           H   new
ATOM      0 HD22 LEU A  71      11.443   1.393  -0.015  1.00 17.51           H   new
ATOM      0 HD23 LEU A  71       9.907   1.156   0.852  1.00 17.51           H   new