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   6 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Set 1.2: A  66 THR OG1 :   rot  180:sc= -0.0644
USER  MOD Set 2.1: A  55 THR OG1 :   rot  128:sc=    1.37
USER  MOD Set 2.2: A  57 SER OG  :   rot  180:sc=    1.06
USER  MOD Set 3.1: A   7 THR OG1 :   rot  180:sc=    1.19
USER  MOD Set 3.2: A   9 THR OG1 :   rot  180:sc=  0.0301
USER  MOD Single : A   1 MET CE  :methyl  177:sc=  -0.325   (180deg=-0.365)
USER  MOD Single : A   1 MET N   :NH3+    165:sc=     1.3   (180deg=1.27)
USER  MOD Single : A   2 GLN     :      amide:sc=-0.00763  X(o=-0.0076,f=-0.34)
USER  MOD Single : A  11 LYS NZ  :NH3+    138:sc=   0.743   (180deg=0.0916)
USER  MOD Single : A  12 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  14 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  20 SER OG  :   rot  180:sc=   0.031
USER  MOD Single : A  22 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  25 ASN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A  27 LYS NZ  :NH3+   -166:sc=   0.992   (180deg=0.341)
USER  MOD Single : A  29 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  31 GLN     :      amide:sc=       0  K(o=0,f=-1)
USER  MOD Single : A  33 LYS NZ  :NH3+   -152:sc= -0.0937   (180deg=-0.455)
USER  MOD Single : A  40 GLN     :      amide:sc=    -0.2  K(o=-0.2,f=-1.1)
USER  MOD Single : A  41 GLN     :      amide:sc= -0.0213  K(o=-0.021,f=-2.1)
USER  MOD Single : A  48 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  49 GLN     :      amide:sc= -0.0155  X(o=-0.015,f=-0.16)
USER  MOD Single : A  59 TYR OH  :   rot  144:sc=    0.49
USER  MOD Single : A  60 ASN     :      amide:sc=  -0.104  K(o=-0.1,f=-1)
USER  MOD Single : A  62 GLN     :      amide:sc=  -0.056  X(o=-0.056,f=-0.53)
USER  MOD Single : A  63 LYS NZ  :NH3+   -172:sc=    1.26   (180deg=1.14)
USER  MOD Single : A  65 SER OG  :   rot   78:sc=    1.26
USER  MOD Single : A  68 HIS     :     no HD1:sc=       0  X(o=0,f=-0.016)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   MET A   1     -13.188   2.880  -3.717  1.00  9.67           N
ATOM      2  CA  MET A   1     -12.861   2.836  -2.274  1.00 10.38           C
ATOM      3  C   MET A   1     -11.589   3.551  -1.976  1.00  9.62           C
ATOM      4  O   MET A   1     -10.474   3.143  -2.300  1.00  9.62           O
ATOM      5  CB  MET A   1     -12.661   1.383  -1.811  1.00 13.77           C
ATOM      6  CG  MET A   1     -12.487   1.214  -0.301  1.00 16.29           C
ATOM      7  SD  MET A   1     -12.274  -0.469   0.353  1.00 17.17           S
ATOM      8  CE  MET A   1     -10.927  -1.132  -0.669  1.00 16.11           C
ATOM      0  H1  MET A   1     -13.922   2.175  -3.928  1.00  9.67           H   new
ATOM      0  H2  MET A   1     -13.537   3.828  -3.965  1.00  9.67           H   new
ATOM      0  H3  MET A   1     -12.335   2.668  -4.273  1.00  9.67           H   new
ATOM      0  HA  MET A   1     -13.695   3.311  -1.757  1.00 10.38           H   new
ATOM      0  HB2 MET A   1     -13.518   0.792  -2.133  1.00 13.77           H   new
ATOM      0  HB3 MET A   1     -11.784   0.973  -2.313  1.00 13.77           H   new
ATOM      0  HG2 MET A   1     -11.621   1.802   0.003  1.00 16.29           H   new
ATOM      0  HG3 MET A   1     -13.357   1.653   0.186  1.00 16.29           H   new
ATOM      0  HE1 MET A   1     -10.671  -2.135  -0.328  1.00 16.11           H   new
ATOM      0  HE2 MET A   1     -11.247  -1.173  -1.710  1.00 16.11           H   new
ATOM      0  HE3 MET A   1     -10.053  -0.486  -0.583  1.00 16.11           H   new
ATOM     20  N   GLN A   2     -11.679   4.739  -1.353  1.00  9.27           N
ATOM     21  CA  GLN A   2     -10.539   5.541  -1.031  1.00  9.07           C
ATOM     22  C   GLN A   2      -9.837   4.988   0.161  1.00  8.72           C
ATOM     23  O   GLN A   2     -10.438   4.908   1.232  1.00  8.22           O
ATOM     24  CB  GLN A   2     -11.012   6.980  -0.761  1.00 14.46           C
ATOM     25  CG  GLN A   2     -11.375   7.744  -2.035  1.00 17.01           C
ATOM     26  CD  GLN A   2     -12.452   8.787  -1.774  1.00 20.10           C
ATOM     27  OE1 GLN A   2     -12.659   9.246  -0.652  1.00 21.89           O
ATOM     28  NE2 GLN A   2     -13.305   9.083  -2.791  1.00 19.49           N
ATOM      0  H   GLN A   2     -12.566   5.153  -1.066  1.00  9.27           H   new
ATOM      0  HA  GLN A   2      -9.836   5.537  -1.864  1.00  9.07           H   new
ATOM      0  HB2 GLN A   2     -11.880   6.953  -0.102  1.00 14.46           H   new
ATOM      0  HB3 GLN A   2     -10.227   7.520  -0.232  1.00 14.46           H   new
ATOM      0  HG2 GLN A   2     -10.485   8.231  -2.434  1.00 17.01           H   new
ATOM      0  HG3 GLN A   2     -11.723   7.043  -2.794  1.00 17.01           H   new
ATOM      0 HE21 GLN A   2     -13.138   8.705  -3.723  1.00 19.49           H   new
ATOM      0 HE22 GLN A   2     -14.112   9.683  -2.621  1.00 19.49           H   new
ATOM     37  N   ILE A   3      -8.558   4.599   0.012  1.00  5.87           N
ATOM     38  CA  ILE A   3      -7.683   4.251   1.088  1.00  5.07           C
ATOM     39  C   ILE A   3      -6.625   5.297   1.165  1.00  4.01           C
ATOM     40  O   ILE A   3      -6.303   5.959   0.180  1.00  4.61           O
ATOM     41  CB  ILE A   3      -7.135   2.856   1.021  1.00  6.55           C
ATOM     42  CG1 ILE A   3      -6.508   2.646  -0.368  1.00  4.72           C
ATOM     43  CG2 ILE A   3      -8.287   1.862   1.241  1.00  5.58           C
ATOM     44  CD1 ILE A   3      -5.624   1.404  -0.475  1.00 10.83           C
ATOM      0  H   ILE A   3      -8.113   4.524  -0.903  1.00  5.87           H   new
ATOM      0  HA  ILE A   3      -8.258   4.232   2.014  1.00  5.07           H   new
ATOM      0  HB  ILE A   3      -6.377   2.699   1.788  1.00  6.55           H   new
ATOM      0 HG12 ILE A   3      -7.306   2.575  -1.107  1.00  4.72           H   new
ATOM      0 HG13 ILE A   3      -5.914   3.524  -0.623  1.00  4.72           H   new
ATOM      0 HG21 ILE A   3      -7.902   0.843   1.195  1.00  5.58           H   new
ATOM      0 HG22 ILE A   3      -8.736   2.036   2.219  1.00  5.58           H   new
ATOM      0 HG23 ILE A   3      -9.040   2.001   0.466  1.00  5.58           H   new
ATOM      0 HD11 ILE A   3      -5.222   1.330  -1.485  1.00 10.83           H   new
ATOM      0 HD12 ILE A   3      -4.803   1.479   0.238  1.00 10.83           H   new
ATOM      0 HD13 ILE A   3      -6.216   0.516  -0.254  1.00 10.83           H   new
ATOM     56  N   PHE A   4      -6.030   5.480   2.357  1.00  4.55           N
ATOM     57  CA  PHE A   4      -4.932   6.369   2.578  1.00  4.68           C
ATOM     58  C   PHE A   4      -3.697   5.560   2.778  1.00  5.30           C
ATOM     59  O   PHE A   4      -3.557   4.616   3.554  1.00  5.58           O
ATOM     60  CB  PHE A   4      -5.079   7.174   3.880  1.00  4.83           C
ATOM     61  CG  PHE A   4      -6.367   7.916   3.980  1.00  7.97           C
ATOM     62  CD1 PHE A   4      -6.771   8.806   3.013  1.00  8.34           C
ATOM     63  CD2 PHE A   4      -7.109   7.816   5.134  1.00  6.69           C
ATOM     64  CE1 PHE A   4      -7.887   9.589   3.188  1.00 10.61           C
ATOM     65  CE2 PHE A   4      -8.233   8.583   5.331  1.00  9.10           C
ATOM     66  CZ  PHE A   4      -8.608   9.475   4.354  1.00  8.90           C
ATOM      0  H   PHE A   4      -6.326   4.989   3.201  1.00  4.55           H   new
ATOM      0  HA  PHE A   4      -4.896   7.037   1.717  1.00  4.68           H   new
ATOM      0  HB2 PHE A   4      -4.993   6.495   4.729  1.00  4.83           H   new
ATOM      0  HB3 PHE A   4      -4.254   7.883   3.954  1.00  4.83           H   new
ATOM      0  HD1 PHE A   4      -6.201   8.891   2.100  1.00  8.34           H   new
ATOM      0  HD2 PHE A   4      -6.802   7.121   5.901  1.00  6.69           H   new
ATOM      0  HE1 PHE A   4      -8.194  10.284   2.421  1.00 10.61           H   new
ATOM      0  HE2 PHE A   4      -8.812   8.487   6.238  1.00  9.10           H   new
ATOM      0  HZ  PHE A   4      -9.480  10.094   4.504  1.00  8.90           H   new
ATOM     76  N   VAL A   5      -2.644   5.995   2.064  1.00  4.44           N
ATOM     77  CA  VAL A   5      -1.274   5.629   2.248  1.00  3.87           C
ATOM     78  C   VAL A   5      -0.476   6.775   2.768  1.00  4.93           C
ATOM     79  O   VAL A   5      -0.399   7.841   2.159  1.00  6.84           O
ATOM     80  CB  VAL A   5      -0.715   5.185   0.928  1.00  2.99           C
ATOM     81  CG1 VAL A   5       0.791   4.895   1.042  1.00  5.28           C
ATOM     82  CG2 VAL A   5      -1.404   3.864   0.547  1.00  9.13           C
ATOM      0  H   VAL A   5      -2.762   6.656   1.296  1.00  4.44           H   new
ATOM      0  HA  VAL A   5      -1.219   4.822   2.978  1.00  3.87           H   new
ATOM      0  HB  VAL A   5      -0.881   5.970   0.190  1.00  2.99           H   new
ATOM      0 HG11 VAL A   5       1.174   4.575   0.073  1.00  5.28           H   new
ATOM      0 HG12 VAL A   5       1.313   5.798   1.358  1.00  5.28           H   new
ATOM      0 HG13 VAL A   5       0.955   4.106   1.776  1.00  5.28           H   new
ATOM      0 HG21 VAL A   5      -1.018   3.515  -0.411  1.00  9.13           H   new
ATOM      0 HG22 VAL A   5      -1.204   3.115   1.313  1.00  9.13           H   new
ATOM      0 HG23 VAL A   5      -2.479   4.024   0.468  1.00  9.13           H   new
ATOM     92  N   LYS A   6       0.100   6.634   3.975  1.00  6.04           N
ATOM     93  CA  LYS A   6       0.719   7.735   4.646  1.00  6.12           C
ATOM     94  C   LYS A   6       2.147   7.389   4.893  1.00  6.57           C
ATOM     95  O   LYS A   6       2.465   6.230   5.154  1.00  5.76           O
ATOM     96  CB  LYS A   6       0.123   8.093   6.018  1.00  7.45           C
ATOM     97  CG  LYS A   6      -1.397   8.243   5.944  1.00 11.12           C
ATOM     98  CD  LYS A   6      -2.021   8.670   7.275  1.00 14.54           C
ATOM     99  CE  LYS A   6      -3.539   8.479   7.286  1.00 18.84           C
ATOM    100  NZ  LYS A   6      -4.121   8.944   8.565  1.00 20.55           N
ATOM      0  H   LYS A   6       0.137   5.753   4.488  1.00  6.04           H   new
ATOM      0  HA  LYS A   6       0.565   8.592   3.990  1.00  6.12           H   new
ATOM      0  HB2 LYS A   6       0.379   7.318   6.741  1.00  7.45           H   new
ATOM      0  HB3 LYS A   6       0.565   9.023   6.377  1.00  7.45           H   new
ATOM      0  HG2 LYS A   6      -1.647   8.978   5.179  1.00 11.12           H   new
ATOM      0  HG3 LYS A   6      -1.835   7.295   5.631  1.00 11.12           H   new
ATOM      0  HD2 LYS A   6      -1.577   8.091   8.085  1.00 14.54           H   new
ATOM      0  HD3 LYS A   6      -1.786   9.717   7.466  1.00 14.54           H   new
ATOM      0  HE2 LYS A   6      -3.985   9.030   6.458  1.00 18.84           H   new
ATOM      0  HE3 LYS A   6      -3.778   7.426   7.134  1.00 18.84           H   new
ATOM      0  HZ1 LYS A   6      -5.151   8.804   8.549  1.00 20.55           H   new
ATOM      0  HZ2 LYS A   6      -3.710   8.401   9.351  1.00 20.55           H   new
ATOM      0  HZ3 LYS A   6      -3.911   9.954   8.695  1.00 20.55           H   new
ATOM    114  N   THR A   7       3.038   8.359   4.621  1.00  7.41           N
ATOM    115  CA  THR A   7       4.423   8.030   4.482  1.00  7.48           C
ATOM    116  C   THR A   7       5.118   8.253   5.781  1.00  8.75           C
ATOM    117  O   THR A   7       4.551   8.716   6.769  1.00  8.58           O
ATOM    118  CB  THR A   7       5.110   8.680   3.318  1.00  9.61           C
ATOM    119  OG1 THR A   7       5.143  10.089   3.494  1.00 11.78           O
ATOM    120  CG2 THR A   7       4.322   8.299   2.053  1.00  9.17           C
ATOM      0  H   THR A   7       2.809   9.346   4.500  1.00  7.41           H   new
ATOM      0  HA  THR A   7       4.480   6.971   4.231  1.00  7.48           H   new
ATOM      0  HB  THR A   7       6.142   8.341   3.233  1.00  9.61           H   new
ATOM      0  HG1 THR A   7       5.595  10.504   2.730  1.00 11.78           H   new
ATOM      0 HG21 THR A   7       4.792   8.754   1.181  1.00  9.17           H   new
ATOM      0 HG22 THR A   7       4.319   7.215   1.939  1.00  9.17           H   new
ATOM      0 HG23 THR A   7       3.296   8.658   2.141  1.00  9.17           H   new
ATOM    128  N   LEU A   8       6.435   7.981   5.808  1.00  9.84           N
ATOM    129  CA  LEU A   8       7.287   8.258   6.923  1.00 14.15           C
ATOM    130  C   LEU A   8       7.585   9.702   7.140  1.00 17.37           C
ATOM    131  O   LEU A   8       7.642  10.236   8.247  1.00 17.01           O
ATOM    132  CB  LEU A   8       8.645   7.543   6.823  1.00 16.63           C
ATOM    133  CG  LEU A   8       9.561   7.699   8.049  1.00 18.88           C
ATOM    134  CD1 LEU A   8       9.138   6.897   9.291  1.00 18.59           C
ATOM    135  CD2 LEU A   8      10.982   7.323   7.596  1.00 19.31           C
ATOM      0  H   LEU A   8       6.925   7.552   5.023  1.00  9.84           H   new
ATOM      0  HA  LEU A   8       6.701   7.885   7.763  1.00 14.15           H   new
ATOM      0  HB2 LEU A   8       8.466   6.481   6.656  1.00 16.63           H   new
ATOM      0  HB3 LEU A   8       9.172   7.919   5.946  1.00 16.63           H   new
ATOM      0  HG  LEU A   8       9.497   8.733   8.387  1.00 18.88           H   new
ATOM      0 HD11 LEU A   8       9.848   7.075  10.099  1.00 18.59           H   new
ATOM      0 HD12 LEU A   8       8.143   7.212   9.606  1.00 18.59           H   new
ATOM      0 HD13 LEU A   8       9.123   5.834   9.050  1.00 18.59           H   new
ATOM      0 HD21 LEU A   8      11.669   7.419   8.437  1.00 19.31           H   new
ATOM      0 HD22 LEU A   8      10.989   6.294   7.237  1.00 19.31           H   new
ATOM      0 HD23 LEU A   8      11.296   7.989   6.793  1.00 19.31           H   new
ATOM    147  N   THR A   9       7.936  10.408   6.051  1.00 18.33           N
ATOM    148  CA  THR A   9       8.167  11.819   6.085  1.00 19.24           C
ATOM    149  C   THR A   9       6.948  12.667   6.216  1.00 19.48           C
ATOM    150  O   THR A   9       7.032  13.699   6.881  1.00 23.14           O
ATOM    151  CB  THR A   9       8.783  12.242   4.785  1.00 18.97           C
ATOM    152  OG1 THR A   9       8.278  11.627   3.609  1.00 20.24           O
ATOM    153  CG2 THR A   9      10.316  12.129   4.827  1.00 19.70           C
ATOM      0  H   THR A   9       8.062   9.991   5.129  1.00 18.33           H   new
ATOM      0  HA  THR A   9       8.791  11.968   6.966  1.00 19.24           H   new
ATOM      0  HB  THR A   9       8.478  13.285   4.698  1.00 18.97           H   new
ATOM      0  HG1 THR A   9       8.751  11.980   2.826  1.00 20.24           H   new
ATOM      0 HG21 THR A   9      10.730  12.443   3.869  1.00 19.70           H   new
ATOM      0 HG22 THR A   9      10.706  12.769   5.619  1.00 19.70           H   new
ATOM      0 HG23 THR A   9      10.599  11.095   5.023  1.00 19.70           H   new
ATOM    161  N   GLY A  10       5.839  12.331   5.534  1.00 19.43           N
ATOM    162  CA  GLY A  10       4.619  13.063   5.684  1.00 18.74           C
ATOM    163  C   GLY A  10       4.079  13.509   4.370  1.00 17.62           C
ATOM    164  O   GLY A  10       3.859  14.690   4.104  1.00 19.74           O
ATOM      0  H   GLY A  10       5.787  11.552   4.878  1.00 19.43           H   new
ATOM      0  HA2 GLY A  10       3.880  12.440   6.188  1.00 18.74           H   new
ATOM      0  HA3 GLY A  10       4.791  13.931   6.320  1.00 18.74           H   new
ATOM    168  N   LYS A  11       3.714  12.492   3.569  1.00 13.56           N
ATOM    169  CA  LYS A  11       2.805  12.598   2.470  1.00 11.91           C
ATOM    170  C   LYS A  11       1.705  11.615   2.685  1.00 10.18           C
ATOM    171  O   LYS A  11       1.862  10.468   3.101  1.00  9.10           O
ATOM    172  CB  LYS A  11       3.521  12.358   1.131  1.00 13.43           C
ATOM    173  CG  LYS A  11       2.594  12.782  -0.010  1.00 16.69           C
ATOM    174  CD  LYS A  11       3.284  12.816  -1.375  1.00 17.92           C
ATOM    175  CE  LYS A  11       2.284  12.821  -2.532  1.00 20.81           C
ATOM    176  NZ  LYS A  11       3.050  12.992  -3.787  1.00 21.93           N
ATOM      0  H   LYS A  11       4.072  11.545   3.695  1.00 13.56           H   new
ATOM      0  HA  LYS A  11       2.393  13.606   2.423  1.00 11.91           H   new
ATOM      0  HB2 LYS A  11       4.450  12.927   1.093  1.00 13.43           H   new
ATOM      0  HB3 LYS A  11       3.787  11.306   1.029  1.00 13.43           H   new
ATOM      0  HG2 LYS A  11       1.749  12.095  -0.056  1.00 16.69           H   new
ATOM      0  HG3 LYS A  11       2.190  13.770   0.209  1.00 16.69           H   new
ATOM      0  HD2 LYS A  11       3.914  13.703  -1.439  1.00 17.92           H   new
ATOM      0  HD3 LYS A  11       3.941  11.951  -1.469  1.00 17.92           H   new
ATOM      0  HE2 LYS A  11       1.718  11.889  -2.553  1.00 20.81           H   new
ATOM      0  HE3 LYS A  11       1.563  13.629  -2.411  1.00 20.81           H   new
ATOM      0  HZ1 LYS A  11       2.668  12.357  -4.516  1.00 21.93           H   new
ATOM      0  HZ2 LYS A  11       2.971  13.977  -4.110  1.00 21.93           H   new
ATOM      0  HZ3 LYS A  11       4.050  12.762  -3.617  1.00 21.93           H   new
ATOM    190  N   THR A  12       0.458  12.053   2.437  1.00  9.63           N
ATOM    191  CA  THR A  12      -0.711  11.235   2.349  1.00  9.85           C
ATOM    192  C   THR A  12      -1.173  11.042   0.946  1.00 11.66           C
ATOM    193  O   THR A  12      -1.805  11.922   0.363  1.00 12.33           O
ATOM    194  CB  THR A  12      -1.843  11.746   3.191  1.00 10.85           C
ATOM    195  OG1 THR A  12      -1.475  11.990   4.540  1.00 10.91           O
ATOM    196  CG2 THR A  12      -3.034  10.774   3.207  1.00  9.63           C
ATOM      0  H   THR A  12       0.254  13.041   2.289  1.00  9.63           H   new
ATOM      0  HA  THR A  12      -0.406  10.266   2.744  1.00  9.85           H   new
ATOM      0  HB  THR A  12      -2.124  12.688   2.721  1.00 10.85           H   new
ATOM      0  HG1 THR A  12      -2.252  12.322   5.036  1.00 10.91           H   new
ATOM      0 HG21 THR A  12      -3.830  11.184   3.828  1.00  9.63           H   new
ATOM      0 HG22 THR A  12      -3.403  10.634   2.191  1.00  9.63           H   new
ATOM      0 HG23 THR A  12      -2.715   9.814   3.613  1.00  9.63           H   new
ATOM    204  N   ILE A  13      -1.008   9.837   0.370  1.00 10.42           N
ATOM    205  CA  ILE A  13      -1.450   9.563  -0.962  1.00 11.84           C
ATOM    206  C   ILE A  13      -2.761   8.858  -0.904  1.00 10.55           C
ATOM    207  O   ILE A  13      -2.897   7.899  -0.146  1.00 11.92           O
ATOM    208  CB  ILE A  13      -0.459   8.717  -1.704  1.00 14.86           C
ATOM    209  CG1 ILE A  13       0.997   9.143  -1.451  1.00 14.87           C
ATOM    210  CG2 ILE A  13      -0.676   8.685  -3.226  1.00 17.08           C
ATOM    211  CD1 ILE A  13       1.736   8.273  -0.435  1.00 16.46           C
ATOM      0  H   ILE A  13      -0.563   9.045   0.834  1.00 10.42           H   new
ATOM      0  HA  ILE A  13      -1.551  10.509  -1.494  1.00 11.84           H   new
ATOM      0  HB  ILE A  13      -0.635   7.719  -1.302  1.00 14.86           H   new
ATOM      0 HG12 ILE A  13       1.540   9.120  -2.396  1.00 14.87           H   new
ATOM      0 HG13 ILE A  13       1.006  10.176  -1.103  1.00 14.87           H   new
ATOM      0 HG21 ILE A  13       0.081   8.052  -3.688  1.00 17.08           H   new
ATOM      0 HG22 ILE A  13      -1.666   8.285  -3.444  1.00 17.08           H   new
ATOM      0 HG23 ILE A  13      -0.597   9.696  -3.626  1.00 17.08           H   new
ATOM      0 HD11 ILE A  13       2.755   8.640  -0.314  1.00 16.46           H   new
ATOM      0 HD12 ILE A  13       1.219   8.315   0.524  1.00 16.46           H   new
ATOM      0 HD13 ILE A  13       1.761   7.242  -0.789  1.00 16.46           H   new
ATOM    223  N   THR A  14      -3.800   9.359  -1.596  1.00  9.39           N
ATOM    224  CA  THR A  14      -5.085   8.732  -1.598  1.00  9.63           C
ATOM    225  C   THR A  14      -5.323   7.848  -2.774  1.00 11.20           C
ATOM    226  O   THR A  14      -5.452   8.309  -3.906  1.00 11.63           O
ATOM    227  CB  THR A  14      -6.191   9.723  -1.383  1.00 10.38           C
ATOM    228  OG1 THR A  14      -5.866  10.593  -0.309  1.00 16.30           O
ATOM    229  CG2 THR A  14      -7.580   9.103  -1.160  1.00 11.66           C
ATOM      0  H   THR A  14      -3.748  10.207  -2.160  1.00  9.39           H   new
ATOM      0  HA  THR A  14      -5.088   8.059  -0.741  1.00  9.63           H   new
ATOM      0  HB  THR A  14      -6.268  10.279  -2.317  1.00 10.38           H   new
ATOM      0  HG1 THR A  14      -6.593  11.237  -0.178  1.00 16.30           H   new
ATOM      0 HG21 THR A  14      -8.313   9.896  -1.014  1.00 11.66           H   new
ATOM      0 HG22 THR A  14      -7.857   8.508  -2.031  1.00 11.66           H   new
ATOM      0 HG23 THR A  14      -7.556   8.464  -0.277  1.00 11.66           H   new
ATOM    237  N   LEU A  15      -5.415   6.515  -2.618  1.00  8.29           N
ATOM    238  CA  LEU A  15      -5.560   5.600  -3.708  1.00  9.03           C
ATOM    239  C   LEU A  15      -6.994   5.250  -3.908  1.00  8.59           C
ATOM    240  O   LEU A  15      -7.763   5.205  -2.949  1.00  7.79           O
ATOM    241  CB  LEU A  15      -4.584   4.434  -3.480  1.00 11.08           C
ATOM    242  CG  LEU A  15      -3.087   4.771  -3.370  1.00 15.79           C
ATOM    243  CD1 LEU A  15      -2.194   3.524  -3.253  1.00 15.27           C
ATOM    244  CD2 LEU A  15      -2.547   5.570  -4.568  1.00 15.88           C
ATOM      0  H   LEU A  15      -5.388   6.060  -1.706  1.00  8.29           H   new
ATOM      0  HA  LEU A  15      -5.280   6.037  -4.667  1.00  9.03           H   new
ATOM      0  HB2 LEU A  15      -4.881   3.921  -2.565  1.00 11.08           H   new
ATOM      0  HB3 LEU A  15      -4.710   3.725  -4.299  1.00 11.08           H   new
ATOM      0  HG  LEU A  15      -3.038   5.370  -2.461  1.00 15.79           H   new
ATOM      0 HD11 LEU A  15      -1.150   3.830  -3.179  1.00 15.27           H   new
ATOM      0 HD12 LEU A  15      -2.471   2.960  -2.362  1.00 15.27           H   new
ATOM      0 HD13 LEU A  15      -2.327   2.897  -4.135  1.00 15.27           H   new
ATOM      0 HD21 LEU A  15      -1.486   5.772  -4.422  1.00 15.88           H   new
ATOM      0 HD22 LEU A  15      -2.684   4.992  -5.482  1.00 15.88           H   new
ATOM      0 HD23 LEU A  15      -3.088   6.513  -4.650  1.00 15.88           H   new
ATOM    256  N   GLU A  16      -7.444   5.179  -5.174  1.00 11.04           N
ATOM    257  CA  GLU A  16      -8.793   4.952  -5.591  1.00 11.50           C
ATOM    258  C   GLU A  16      -8.954   3.579  -6.147  1.00 10.13           C
ATOM    259  O   GLU A  16      -9.161   3.288  -7.324  1.00  9.83           O
ATOM    260  CB  GLU A  16      -9.160   6.038  -6.616  1.00 17.22           C
ATOM    261  CG  GLU A  16      -9.173   7.408  -5.935  1.00 23.33           C
ATOM    262  CD  GLU A  16      -9.317   8.452  -7.033  1.00 26.99           C
ATOM    263  OE1 GLU A  16      -9.907   8.241  -8.126  1.00 28.86           O
ATOM    264  OE2 GLU A  16      -8.775   9.575  -6.857  1.00 28.90           O
ATOM      0  H   GLU A  16      -6.813   5.289  -5.968  1.00 11.04           H   new
ATOM      0  HA  GLU A  16      -9.471   5.016  -4.740  1.00 11.50           H   new
ATOM      0  HB2 GLU A  16      -8.441   6.036  -7.436  1.00 17.22           H   new
ATOM      0  HB3 GLU A  16     -10.138   5.827  -7.049  1.00 17.22           H   new
ATOM      0  HG2 GLU A  16      -9.998   7.478  -5.226  1.00 23.33           H   new
ATOM      0  HG3 GLU A  16      -8.254   7.567  -5.371  1.00 23.33           H   new
ATOM    271  N   VAL A  17      -8.947   2.549  -5.282  1.00  8.99           N
ATOM    272  CA  VAL A  17      -8.988   1.151  -5.582  1.00  8.85           C
ATOM    273  C   VAL A  17     -10.383   0.696  -5.324  1.00  8.04           C
ATOM    274  O   VAL A  17     -11.130   1.555  -4.859  1.00  8.99           O
ATOM    275  CB  VAL A  17      -8.097   0.371  -4.662  1.00  9.78           C
ATOM    276  CG1 VAL A  17      -6.623   0.775  -4.840  1.00 12.05           C
ATOM    277  CG2 VAL A  17      -8.549   0.486  -3.196  1.00 10.54           C
ATOM      0  H   VAL A  17      -8.909   2.713  -4.276  1.00  8.99           H   new
ATOM      0  HA  VAL A  17      -8.664   0.994  -6.611  1.00  8.85           H   new
ATOM      0  HB  VAL A  17      -8.183  -0.680  -4.936  1.00  9.78           H   new
ATOM      0 HG11 VAL A  17      -6.001   0.193  -4.160  1.00 12.05           H   new
ATOM      0 HG12 VAL A  17      -6.315   0.583  -5.868  1.00 12.05           H   new
ATOM      0 HG13 VAL A  17      -6.507   1.836  -4.619  1.00 12.05           H   new
ATOM      0 HG21 VAL A  17      -7.878  -0.093  -2.562  1.00 10.54           H   new
ATOM      0 HG22 VAL A  17      -8.526   1.532  -2.889  1.00 10.54           H   new
ATOM      0 HG23 VAL A  17      -9.564   0.101  -3.097  1.00 10.54           H   new
ATOM    287  N   GLU A  18     -10.660  -0.544  -5.764  1.00  7.29           N
ATOM    288  CA  GLU A  18     -11.851  -1.316  -5.590  1.00  7.08           C
ATOM    289  C   GLU A  18     -11.624  -2.202  -4.414  1.00  6.45           C
ATOM    290  O   GLU A  18     -10.447  -2.449  -4.155  1.00  5.28           O
ATOM    291  CB  GLU A  18     -12.267  -2.177  -6.795  1.00 10.28           C
ATOM    292  CG  GLU A  18     -12.429  -1.312  -8.047  1.00 12.65           C
ATOM    293  CD  GLU A  18     -13.733  -0.535  -7.929  1.00 14.15           C
ATOM    294  OE1 GLU A  18     -14.792  -1.184  -8.140  1.00 18.17           O
ATOM    295  OE2 GLU A  18     -13.734   0.693  -7.645  1.00 14.33           O
ATOM      0  H   GLU A  18      -9.967  -1.062  -6.304  1.00  7.29           H   new
ATOM      0  HA  GLU A  18     -12.671  -0.611  -5.457  1.00  7.08           H   new
ATOM      0  HB2 GLU A  18     -11.517  -2.948  -6.974  1.00 10.28           H   new
ATOM      0  HB3 GLU A  18     -13.204  -2.689  -6.577  1.00 10.28           H   new
ATOM      0  HG2 GLU A  18     -11.587  -0.627  -8.146  1.00 12.65           H   new
ATOM      0  HG3 GLU A  18     -12.439  -1.936  -8.941  1.00 12.65           H   new
ATOM    302  N   PRO A  19     -12.664  -2.688  -3.804  1.00  7.24           N
ATOM    303  CA  PRO A  19     -12.389  -3.660  -2.787  1.00  7.07           C
ATOM    304  C   PRO A  19     -11.926  -4.943  -3.387  1.00  6.65           C
ATOM    305  O   PRO A  19     -11.324  -5.681  -2.609  1.00  6.37           O
ATOM    306  CB  PRO A  19     -13.671  -3.839  -1.976  1.00  7.61           C
ATOM    307  CG  PRO A  19     -14.775  -3.393  -2.948  1.00  8.16           C
ATOM    308  CD  PRO A  19     -14.084  -2.377  -3.871  1.00  7.49           C
ATOM      0  HA  PRO A  19     -11.582  -3.324  -2.136  1.00  7.07           H   new
ATOM      0  HB2 PRO A  19     -13.806  -4.874  -1.662  1.00  7.61           H   new
ATOM      0  HB3 PRO A  19     -13.662  -3.230  -1.072  1.00  7.61           H   new
ATOM      0  HG2 PRO A  19     -15.172  -4.237  -3.512  1.00  8.16           H   new
ATOM      0  HG3 PRO A  19     -15.613  -2.942  -2.417  1.00  8.16           H   new
ATOM      0  HD2 PRO A  19     -14.455  -2.460  -4.892  1.00  7.49           H   new
ATOM      0  HD3 PRO A  19     -14.277  -1.355  -3.543  1.00  7.49           H   new
ATOM    316  N   SER A  20     -12.211  -5.418  -4.613  1.00  6.80           N
ATOM    317  CA  SER A  20     -11.712  -6.606  -5.233  1.00  6.28           C
ATOM    318  C   SER A  20     -10.285  -6.485  -5.645  1.00  8.45           C
ATOM    319  O   SER A  20      -9.712  -7.548  -5.878  1.00  7.26           O
ATOM    320  CB  SER A  20     -12.589  -7.005  -6.431  1.00  8.57           C
ATOM    321  OG  SER A  20     -12.948  -5.916  -7.268  1.00 11.13           O
ATOM      0  H   SER A  20     -12.854  -4.919  -5.228  1.00  6.80           H   new
ATOM      0  HA  SER A  20     -11.758  -7.394  -4.481  1.00  6.28           H   new
ATOM      0  HB2 SER A  20     -12.058  -7.748  -7.026  1.00  8.57           H   new
ATOM      0  HB3 SER A  20     -13.497  -7.482  -6.062  1.00  8.57           H   new
ATOM      0  HG  SER A  20     -13.502  -6.241  -8.008  1.00 11.13           H   new
ATOM    327  N   ASP A  21      -9.594  -5.333  -5.577  1.00  7.50           N
ATOM    328  CA  ASP A  21      -8.261  -5.305  -6.096  1.00  7.70           C
ATOM    329  C   ASP A  21      -7.272  -5.933  -5.176  1.00  7.08           C
ATOM    330  O   ASP A  21      -7.494  -6.032  -3.970  1.00  8.11           O
ATOM    331  CB  ASP A  21      -7.793  -3.866  -6.371  1.00 11.00           C
ATOM    332  CG  ASP A  21      -8.596  -3.260  -7.512  1.00 15.32           C
ATOM    333  OD1 ASP A  21      -8.749  -3.777  -8.651  1.00 18.03           O
ATOM    334  OD2 ASP A  21      -8.990  -2.095  -7.236  1.00 14.36           O
ATOM      0  H   ASP A  21      -9.937  -4.457  -5.182  1.00  7.50           H   new
ATOM      0  HA  ASP A  21      -8.303  -5.877  -7.023  1.00  7.70           H   new
ATOM      0  HB2 ASP A  21      -7.910  -3.260  -5.473  1.00 11.00           H   new
ATOM      0  HB3 ASP A  21      -6.732  -3.863  -6.622  1.00 11.00           H   new
ATOM    339  N   THR A  22      -6.139  -6.456  -5.677  1.00  5.37           N
ATOM    340  CA  THR A  22      -5.051  -7.083  -4.993  1.00  6.01           C
ATOM    341  C   THR A  22      -4.025  -6.080  -4.592  1.00  8.01           C
ATOM    342  O   THR A  22      -3.921  -5.025  -5.216  1.00  8.11           O
ATOM    343  CB  THR A  22      -4.324  -8.174  -5.723  1.00  8.92           C
ATOM    344  OG1 THR A  22      -3.742  -7.897  -6.988  1.00 10.22           O
ATOM    345  CG2 THR A  22      -5.281  -9.348  -5.990  1.00  9.65           C
ATOM      0  H   THR A  22      -5.969  -6.435  -6.683  1.00  5.37           H   new
ATOM      0  HA  THR A  22      -5.553  -7.551  -4.146  1.00  6.01           H   new
ATOM      0  HB  THR A  22      -3.498  -8.362  -5.037  1.00  8.92           H   new
ATOM      0  HG1 THR A  22      -3.306  -8.705  -7.331  1.00 10.22           H   new
ATOM      0 HG21 THR A  22      -4.749 -10.138  -6.520  1.00  9.65           H   new
ATOM      0 HG22 THR A  22      -5.655  -9.735  -5.042  1.00  9.65           H   new
ATOM      0 HG23 THR A  22      -6.118  -9.004  -6.597  1.00  9.65           H   new
ATOM    353  N   ILE A  23      -3.251  -6.276  -3.509  1.00  8.32           N
ATOM    354  CA  ILE A  23      -2.210  -5.438  -3.000  1.00  9.92           C
ATOM    355  C   ILE A  23      -1.122  -5.153  -3.978  1.00 10.01           C
ATOM    356  O   ILE A  23      -0.527  -4.081  -4.065  1.00  8.71           O
ATOM    357  CB  ILE A  23      -1.789  -5.957  -1.658  1.00 10.78           C
ATOM    358  CG1 ILE A  23      -2.897  -6.008  -0.592  1.00 11.38           C
ATOM    359  CG2 ILE A  23      -0.461  -5.344  -1.182  1.00 10.90           C
ATOM    360  CD1 ILE A  23      -3.391  -4.610  -0.222  1.00 12.30           C
ATOM      0  H   ILE A  23      -3.369  -7.109  -2.932  1.00  8.32           H   new
ATOM      0  HA  ILE A  23      -2.595  -4.431  -2.841  1.00  9.92           H   new
ATOM      0  HB  ILE A  23      -1.584  -7.016  -1.818  1.00 10.78           H   new
ATOM      0 HG12 ILE A  23      -3.732  -6.602  -0.963  1.00 11.38           H   new
ATOM      0 HG13 ILE A  23      -2.521  -6.509   0.300  1.00 11.38           H   new
ATOM      0 HG21 ILE A  23      -0.201  -5.753  -0.206  1.00 10.90           H   new
ATOM      0 HG22 ILE A  23       0.327  -5.582  -1.897  1.00 10.90           H   new
ATOM      0 HG23 ILE A  23      -0.566  -4.262  -1.106  1.00 10.90           H   new
ATOM      0 HD11 ILE A  23      -4.173  -4.688   0.533  1.00 12.30           H   new
ATOM      0 HD12 ILE A  23      -2.562  -4.024   0.174  1.00 12.30           H   new
ATOM      0 HD13 ILE A  23      -3.791  -4.119  -1.109  1.00 12.30           H   new
ATOM    372  N   GLU A  24      -0.859  -6.097  -4.899  1.00  9.54           N
ATOM    373  CA  GLU A  24      -0.070  -5.942  -6.082  1.00 11.81           C
ATOM    374  C   GLU A  24      -0.434  -4.747  -6.893  1.00 11.14           C
ATOM    375  O   GLU A  24       0.447  -3.924  -7.136  1.00 10.62           O
ATOM    376  CB  GLU A  24      -0.340  -7.172  -6.965  1.00 19.24           C
ATOM    377  CG  GLU A  24       0.723  -7.436  -8.033  1.00 27.76           C
ATOM    378  CD  GLU A  24       0.563  -8.738  -8.805  1.00 32.92           C
ATOM    379  OE1 GLU A  24       0.893  -9.832  -8.275  1.00 36.51           O
ATOM    380  OE2 GLU A  24       0.291  -8.684 -10.034  1.00 34.80           O
ATOM      0  H   GLU A  24      -1.228  -7.044  -4.808  1.00  9.54           H   new
ATOM      0  HA  GLU A  24       0.968  -5.829  -5.770  1.00 11.81           H   new
ATOM      0  HB2 GLU A  24      -0.420  -8.051  -6.326  1.00 19.24           H   new
ATOM      0  HB3 GLU A  24      -1.305  -7.046  -7.455  1.00 19.24           H   new
ATOM      0  HG2 GLU A  24       0.714  -6.609  -8.743  1.00 27.76           H   new
ATOM      0  HG3 GLU A  24       1.702  -7.435  -7.555  1.00 27.76           H   new
ATOM    387  N   ASN A  25      -1.746  -4.536  -7.103  1.00  9.43           N
ATOM    388  CA  ASN A  25      -2.234  -3.404  -7.828  1.00 10.96           C
ATOM    389  C   ASN A  25      -2.017  -2.141  -7.068  1.00  9.68           C
ATOM    390  O   ASN A  25      -1.722  -1.122  -7.691  1.00  9.33           O
ATOM    391  CB  ASN A  25      -3.705  -3.609  -8.227  1.00 16.78           C
ATOM    392  CG  ASN A  25      -4.239  -2.640  -9.273  1.00 22.31           C
ATOM    393  OD1 ASN A  25      -5.123  -1.840  -8.971  1.00 25.66           O
ATOM    394  ND2 ASN A  25      -3.678  -2.562 -10.509  1.00 24.70           N
ATOM      0  H   ASN A  25      -2.478  -5.160  -6.765  1.00  9.43           H   new
ATOM      0  HA  ASN A  25      -1.662  -3.310  -8.751  1.00 10.96           H   new
ATOM      0  HB2 ASN A  25      -3.823  -4.625  -8.603  1.00 16.78           H   new
ATOM      0  HB3 ASN A  25      -4.321  -3.527  -7.332  1.00 16.78           H   new
ATOM      0 HD21 ASN A  25      -3.992  -1.849 -11.167  1.00 24.70           H   new
ATOM      0 HD22 ASN A  25      -2.943  -3.217 -10.778  1.00 24.70           H   new
ATOM    401  N   VAL A  26      -2.164  -2.179  -5.732  1.00  6.52           N
ATOM    402  CA  VAL A  26      -1.979  -1.006  -4.935  1.00  5.53           C
ATOM    403  C   VAL A  26      -0.571  -0.519  -4.902  1.00  4.42           C
ATOM    404  O   VAL A  26      -0.351   0.688  -4.990  1.00  3.40           O
ATOM    405  CB  VAL A  26      -2.432  -1.256  -3.527  1.00  3.86           C
ATOM    406  CG1 VAL A  26      -2.392  -0.006  -2.633  1.00  7.25           C
ATOM    407  CG2 VAL A  26      -3.863  -1.819  -3.542  1.00  8.12           C
ATOM      0  H   VAL A  26      -2.410  -3.017  -5.205  1.00  6.52           H   new
ATOM      0  HA  VAL A  26      -2.582  -0.231  -5.409  1.00  5.53           H   new
ATOM      0  HB  VAL A  26      -1.730  -1.971  -3.099  1.00  3.86           H   new
ATOM      0 HG11 VAL A  26      -2.733  -0.265  -1.631  1.00  7.25           H   new
ATOM      0 HG12 VAL A  26      -1.371   0.373  -2.582  1.00  7.25           H   new
ATOM      0 HG13 VAL A  26      -3.043   0.761  -3.051  1.00  7.25           H   new
ATOM      0 HG21 VAL A  26      -4.193  -2.001  -2.519  1.00  8.12           H   new
ATOM      0 HG22 VAL A  26      -4.532  -1.101  -4.017  1.00  8.12           H   new
ATOM      0 HG23 VAL A  26      -3.880  -2.755  -4.101  1.00  8.12           H   new
ATOM    417  N   LYS A  27       0.345  -1.499  -4.815  1.00  2.64           N
ATOM    418  CA  LYS A  27       1.770  -1.394  -4.869  1.00  4.14           C
ATOM    419  C   LYS A  27       2.257  -0.789  -6.140  1.00  5.58           C
ATOM    420  O   LYS A  27       2.946   0.226  -6.236  1.00  4.11           O
ATOM    421  CB  LYS A  27       2.469  -2.695  -4.439  1.00  3.97           C
ATOM    422  CG  LYS A  27       2.529  -3.032  -2.948  1.00  7.45           C
ATOM    423  CD  LYS A  27       3.069  -4.421  -2.606  1.00  9.02           C
ATOM    424  CE  LYS A  27       4.584  -4.579  -2.753  1.00 12.90           C
ATOM    425  NZ  LYS A  27       4.953  -6.006  -2.615  1.00 15.47           N
ATOM      0  H   LYS A  27       0.053  -2.469  -4.694  1.00  2.64           H   new
ATOM      0  HA  LYS A  27       2.074  -0.670  -4.113  1.00  4.14           H   new
ATOM      0  HB2 LYS A  27       1.972  -3.522  -4.946  1.00  3.97           H   new
ATOM      0  HB3 LYS A  27       3.492  -2.661  -4.813  1.00  3.97           H   new
ATOM      0  HG2 LYS A  27       3.150  -2.288  -2.450  1.00  7.45           H   new
ATOM      0  HG3 LYS A  27       1.526  -2.939  -2.532  1.00  7.45           H   new
ATOM      0  HD2 LYS A  27       2.792  -4.660  -1.579  1.00  9.02           H   new
ATOM      0  HD3 LYS A  27       2.578  -5.153  -3.247  1.00  9.02           H   new
ATOM      0  HE2 LYS A  27       4.906  -4.202  -3.724  1.00 12.90           H   new
ATOM      0  HE3 LYS A  27       5.096  -3.986  -1.995  1.00 12.90           H   new
ATOM      0  HZ1 LYS A  27       5.981  -6.087  -2.477  1.00 15.47           H   new
ATOM      0  HZ2 LYS A  27       4.461  -6.414  -1.795  1.00 15.47           H   new
ATOM      0  HZ3 LYS A  27       4.677  -6.521  -3.476  1.00 15.47           H   new
ATOM    439  N   ALA A  28       1.718  -1.338  -7.243  1.00  6.61           N
ATOM    440  CA  ALA A  28       1.826  -0.939  -8.612  1.00  7.74           C
ATOM    441  C   ALA A  28       1.394   0.475  -8.794  1.00  9.17           C
ATOM    442  O   ALA A  28       1.971   1.146  -9.649  1.00 11.45           O
ATOM    443  CB  ALA A  28       1.118  -1.905  -9.577  1.00  7.68           C
ATOM      0  H   ALA A  28       1.132  -2.168  -7.159  1.00  6.61           H   new
ATOM      0  HA  ALA A  28       2.882  -0.993  -8.878  1.00  7.74           H   new
ATOM      0  HB1 ALA A  28       1.235  -1.548 -10.600  1.00  7.68           H   new
ATOM      0  HB2 ALA A  28       1.558  -2.898  -9.486  1.00  7.68           H   new
ATOM      0  HB3 ALA A  28       0.058  -1.954  -9.330  1.00  7.68           H   new
ATOM    449  N   LYS A  29       0.435   1.069  -8.061  1.00  8.96           N
ATOM    450  CA  LYS A  29      -0.062   2.401  -8.218  1.00  7.90           C
ATOM    451  C   LYS A  29       0.944   3.370  -7.701  1.00  6.92           C
ATOM    452  O   LYS A  29       1.163   4.418  -8.306  1.00  6.87           O
ATOM    453  CB  LYS A  29      -1.443   2.726  -7.624  1.00 10.28           C
ATOM    454  CG  LYS A  29      -2.556   2.116  -8.479  1.00 14.94           C
ATOM    455  CD  LYS A  29      -3.949   2.567  -8.037  1.00 19.69           C
ATOM    456  CE  LYS A  29      -5.133   2.028  -8.842  1.00 22.63           C
ATOM    457  NZ  LYS A  29      -5.168   2.587 -10.212  1.00 24.98           N
ATOM      0  H   LYS A  29      -0.029   0.577  -7.298  1.00  8.96           H   new
ATOM      0  HA  LYS A  29      -0.221   2.489  -9.293  1.00  7.90           H   new
ATOM      0  HB2 LYS A  29      -1.507   2.341  -6.606  1.00 10.28           H   new
ATOM      0  HB3 LYS A  29      -1.574   3.806  -7.565  1.00 10.28           H   new
ATOM      0  HG2 LYS A  29      -2.402   2.393  -9.522  1.00 14.94           H   new
ATOM      0  HG3 LYS A  29      -2.496   1.029  -8.426  1.00 14.94           H   new
ATOM      0  HD2 LYS A  29      -4.086   2.277  -6.995  1.00 19.69           H   new
ATOM      0  HD3 LYS A  29      -3.981   3.656  -8.072  1.00 19.69           H   new
ATOM      0  HE2 LYS A  29      -5.072   0.941  -8.895  1.00 22.63           H   new
ATOM      0  HE3 LYS A  29      -6.063   2.270  -8.327  1.00 22.63           H   new
ATOM      0  HZ1 LYS A  29      -5.984   2.197 -10.725  1.00 24.98           H   new
ATOM      0  HZ2 LYS A  29      -5.252   3.622 -10.162  1.00 24.98           H   new
ATOM      0  HZ3 LYS A  29      -4.292   2.334 -10.712  1.00 24.98           H   new
ATOM    471  N   ILE A  30       1.611   3.061  -6.575  1.00  4.57           N
ATOM    472  CA  ILE A  30       2.694   3.740  -5.932  1.00  5.58           C
ATOM    473  C   ILE A  30       3.893   3.868  -6.806  1.00  7.26           C
ATOM    474  O   ILE A  30       4.467   4.955  -6.745  1.00  9.46           O
ATOM    475  CB  ILE A  30       2.833   3.180  -4.547  1.00  5.36           C
ATOM    476  CG1 ILE A  30       1.619   3.555  -3.681  1.00  2.94           C
ATOM    477  CG2 ILE A  30       4.137   3.668  -3.893  1.00  2.78           C
ATOM    478  CD1 ILE A  30       1.532   2.699  -2.418  1.00  2.00           C
ATOM      0  H   ILE A  30       1.354   2.225  -6.050  1.00  4.57           H   new
ATOM      0  HA  ILE A  30       2.498   4.801  -5.774  1.00  5.58           H   new
ATOM      0  HB  ILE A  30       2.873   2.093  -4.623  1.00  5.36           H   new
ATOM      0 HG12 ILE A  30       1.683   4.607  -3.403  1.00  2.94           H   new
ATOM      0 HG13 ILE A  30       0.706   3.435  -4.264  1.00  2.94           H   new
ATOM      0 HG21 ILE A  30       4.219   3.251  -2.889  1.00  2.78           H   new
ATOM      0 HG22 ILE A  30       4.988   3.343  -4.492  1.00  2.78           H   new
ATOM      0 HG23 ILE A  30       4.129   4.756  -3.834  1.00  2.78           H   new
ATOM      0 HD11 ILE A  30       0.660   2.997  -1.836  1.00  2.00           H   new
ATOM      0 HD12 ILE A  30       1.441   1.649  -2.696  1.00  2.00           H   new
ATOM      0 HD13 ILE A  30       2.433   2.839  -1.821  1.00  2.00           H   new
ATOM    490  N   GLN A  31       4.242   2.871  -7.638  1.00  7.06           N
ATOM    491  CA  GLN A  31       5.198   2.980  -8.696  1.00  8.67           C
ATOM    492  C   GLN A  31       4.826   4.006  -9.710  1.00 10.90           C
ATOM    493  O   GLN A  31       5.670   4.844 -10.025  1.00  9.63           O
ATOM    494  CB  GLN A  31       5.469   1.625  -9.373  1.00  9.12           C
ATOM    495  CG  GLN A  31       6.532   1.623 -10.473  1.00 10.76           C
ATOM    496  CD  GLN A  31       6.990   0.276 -11.013  1.00 13.78           C
ATOM    497  OE1 GLN A  31       8.175  -0.046 -11.085  1.00 14.48           O
ATOM    498  NE2 GLN A  31       5.975  -0.514 -11.455  1.00 14.76           N
ATOM      0  H   GLN A  31       3.835   1.938  -7.569  1.00  7.06           H   new
ATOM      0  HA  GLN A  31       6.121   3.314  -8.222  1.00  8.67           H   new
ATOM      0  HB2 GLN A  31       5.769   0.912  -8.605  1.00  9.12           H   new
ATOM      0  HB3 GLN A  31       4.534   1.261  -9.799  1.00  9.12           H   new
ATOM      0  HG2 GLN A  31       6.149   2.207 -11.310  1.00 10.76           H   new
ATOM      0  HG3 GLN A  31       7.409   2.147 -10.093  1.00 10.76           H   new
ATOM      0 HE21 GLN A  31       5.009  -0.198 -11.371  1.00 14.76           H   new
ATOM      0 HE22 GLN A  31       6.180  -1.423 -11.871  1.00 14.76           H   new
ATOM    507  N   ASP A  32       3.610   3.898 -10.274  1.00 10.93           N
ATOM    508  CA  ASP A  32       3.140   4.713 -11.351  1.00 14.01           C
ATOM    509  C   ASP A  32       3.207   6.166 -11.026  1.00 14.04           C
ATOM    510  O   ASP A  32       3.738   6.989 -11.769  1.00 13.39           O
ATOM    511  CB  ASP A  32       1.683   4.243 -11.496  1.00 18.01           C
ATOM    512  CG  ASP A  32       1.068   4.541 -12.856  1.00 24.33           C
ATOM    513  OD1 ASP A  32       1.068   5.748 -13.217  1.00 26.29           O
ATOM    514  OD2 ASP A  32       0.672   3.600 -13.594  1.00 25.17           O
ATOM      0  H   ASP A  32       2.923   3.211  -9.965  1.00 10.93           H   new
ATOM      0  HA  ASP A  32       3.734   4.610 -12.259  1.00 14.01           H   new
ATOM      0  HB2 ASP A  32       1.639   3.169 -11.317  1.00 18.01           H   new
ATOM      0  HB3 ASP A  32       1.080   4.720 -10.724  1.00 18.01           H   new
ATOM    519  N   LYS A  33       2.637   6.529  -9.863  1.00 14.22           N
ATOM    520  CA  LYS A  33       2.555   7.834  -9.284  1.00 14.00           C
ATOM    521  C   LYS A  33       3.809   8.293  -8.624  1.00 12.37           C
ATOM    522  O   LYS A  33       4.469   9.221  -9.088  1.00 12.17           O
ATOM    523  CB  LYS A  33       1.364   7.852  -8.310  1.00 18.62           C
ATOM    524  CG  LYS A  33       0.031   7.401  -8.910  1.00 24.00           C
ATOM    525  CD  LYS A  33      -1.112   7.406  -7.893  1.00 27.61           C
ATOM    526  CE  LYS A  33      -2.427   6.917  -8.503  1.00 27.64           C
ATOM    527  NZ  LYS A  33      -2.687   7.585  -9.798  1.00 30.06           N
ATOM      0  H   LYS A  33       2.187   5.833  -9.268  1.00 14.22           H   new
ATOM      0  HA  LYS A  33       2.404   8.549 -10.093  1.00 14.00           H   new
ATOM      0  HB2 LYS A  33       1.599   7.210  -7.461  1.00 18.62           H   new
ATOM      0  HB3 LYS A  33       1.247   8.864  -7.922  1.00 18.62           H   new
ATOM      0  HG2 LYS A  33      -0.227   8.056  -9.742  1.00 24.00           H   new
ATOM      0  HG3 LYS A  33       0.143   6.396  -9.318  1.00 24.00           H   new
ATOM      0  HD2 LYS A  33      -0.847   6.771  -7.047  1.00 27.61           H   new
ATOM      0  HD3 LYS A  33      -1.246   8.415  -7.504  1.00 27.61           H   new
ATOM      0  HE2 LYS A  33      -2.387   5.837  -8.647  1.00 27.64           H   new
ATOM      0  HE3 LYS A  33      -3.248   7.116  -7.815  1.00 27.64           H   new
ATOM      0  HZ1 LYS A  33      -3.713   7.633  -9.964  1.00 30.06           H   new
ATOM      0  HZ2 LYS A  33      -2.294   8.548  -9.777  1.00 30.06           H   new
ATOM      0  HZ3 LYS A  33      -2.237   7.044 -10.564  1.00 30.06           H   new
ATOM    541  N   GLU A  34       4.200   7.694  -7.484  1.00 10.11           N
ATOM    542  CA  GLU A  34       5.250   8.105  -6.605  1.00 10.07           C
ATOM    543  C   GLU A  34       6.622   7.610  -6.909  1.00  9.32           C
ATOM    544  O   GLU A  34       7.571   8.269  -6.486  1.00 11.61           O
ATOM    545  CB  GLU A  34       4.844   7.805  -5.152  1.00 14.77           C
ATOM    546  CG  GLU A  34       3.588   8.477  -4.593  1.00 18.75           C
ATOM    547  CD  GLU A  34       3.632   9.998  -4.635  1.00 22.28           C
ATOM    548  OE1 GLU A  34       4.623  10.679  -4.259  1.00 25.19           O
ATOM    549  OE2 GLU A  34       2.589  10.555  -5.069  1.00 21.95           O
ATOM      0  H   GLU A  34       3.739   6.848  -7.150  1.00 10.11           H   new
ATOM      0  HA  GLU A  34       5.352   9.178  -6.771  1.00 10.07           H   new
ATOM      0  HB2 GLU A  34       4.712   6.727  -5.060  1.00 14.77           H   new
ATOM      0  HB3 GLU A  34       5.681   8.080  -4.510  1.00 14.77           H   new
ATOM      0  HG2 GLU A  34       2.722   8.133  -5.158  1.00 18.75           H   new
ATOM      0  HG3 GLU A  34       3.444   8.156  -3.561  1.00 18.75           H   new
ATOM    556  N   GLY A  35       6.805   6.641  -7.824  1.00  7.22           N
ATOM    557  CA  GLY A  35       8.007   6.297  -8.518  1.00  6.29           C
ATOM    558  C   GLY A  35       8.846   5.235  -7.896  1.00  6.93           C
ATOM    559  O   GLY A  35      10.045   5.111  -8.141  1.00  7.41           O
ATOM      0  H   GLY A  35       6.031   6.039  -8.104  1.00  7.22           H   new
ATOM      0  HA2 GLY A  35       7.741   5.977  -9.525  1.00  6.29           H   new
ATOM      0  HA3 GLY A  35       8.613   7.197  -8.619  1.00  6.29           H   new
ATOM    563  N   ILE A  36       8.240   4.414  -7.020  1.00  5.86           N
ATOM    564  CA  ILE A  36       8.891   3.427  -6.216  1.00  6.07           C
ATOM    565  C   ILE A  36       8.467   2.062  -6.640  1.00  6.36           C
ATOM    566  O   ILE A  36       7.266   1.796  -6.641  1.00  6.18           O
ATOM    567  CB  ILE A  36       8.574   3.622  -4.763  1.00  7.47           C
ATOM    568  CG1 ILE A  36       8.665   5.104  -4.362  1.00  8.52           C
ATOM    569  CG2 ILE A  36       9.381   2.650  -3.887  1.00  7.36           C
ATOM    570  CD1 ILE A  36      10.084   5.622  -4.595  1.00  9.49           C
ATOM      0  H   ILE A  36       7.232   4.442  -6.864  1.00  5.86           H   new
ATOM      0  HA  ILE A  36       9.967   3.535  -6.354  1.00  6.07           H   new
ATOM      0  HB  ILE A  36       7.532   3.358  -4.582  1.00  7.47           H   new
ATOM      0 HG12 ILE A  36       7.955   5.691  -4.944  1.00  8.52           H   new
ATOM      0 HG13 ILE A  36       8.393   5.223  -3.313  1.00  8.52           H   new
ATOM      0 HG21 ILE A  36       9.132   2.813  -2.838  1.00  7.36           H   new
ATOM      0 HG22 ILE A  36       9.138   1.624  -4.163  1.00  7.36           H   new
ATOM      0 HG23 ILE A  36      10.447   2.823  -4.038  1.00  7.36           H   new
ATOM      0 HD11 ILE A  36      10.140   6.672  -4.308  1.00  9.49           H   new
ATOM      0 HD12 ILE A  36      10.786   5.044  -3.993  1.00  9.49           H   new
ATOM      0 HD13 ILE A  36      10.340   5.520  -5.650  1.00  9.49           H   new
ATOM    582  N   PRO A  37       9.335   1.153  -6.971  1.00  8.65           N
ATOM    583  CA  PRO A  37       8.895  -0.106  -7.497  1.00  9.18           C
ATOM    584  C   PRO A  37       8.346  -1.084  -6.516  1.00  9.85           C
ATOM    585  O   PRO A  37       8.517  -0.797  -5.332  1.00  8.51           O
ATOM    586  CB  PRO A  37       9.979  -0.753  -8.357  1.00 11.42           C
ATOM    587  CG  PRO A  37      10.739   0.515  -8.775  1.00  9.27           C
ATOM    588  CD  PRO A  37      10.650   1.418  -7.534  1.00  8.33           C
ATOM      0  HA  PRO A  37       8.035   0.162  -8.111  1.00  9.18           H   new
ATOM      0  HB2 PRO A  37      10.601  -1.451  -7.797  1.00 11.42           H   new
ATOM      0  HB3 PRO A  37       9.572  -1.300  -9.207  1.00 11.42           H   new
ATOM      0  HG2 PRO A  37      11.774   0.294  -9.036  1.00  9.27           H   new
ATOM      0  HG3 PRO A  37      10.284   0.986  -9.646  1.00  9.27           H   new
ATOM      0  HD2 PRO A  37      11.440   1.186  -6.819  1.00  8.33           H   new
ATOM      0  HD3 PRO A  37      10.761   2.469  -7.801  1.00  8.33           H   new
ATOM    596  N   PRO A  38       7.695  -2.170  -6.809  1.00  8.71           N
ATOM    597  CA  PRO A  38       6.997  -3.021  -5.890  1.00  9.08           C
ATOM    598  C   PRO A  38       7.838  -3.699  -4.863  1.00  9.28           C
ATOM    599  O   PRO A  38       7.321  -3.878  -3.762  1.00  6.50           O
ATOM    600  CB  PRO A  38       6.309  -4.083  -6.745  1.00 10.31           C
ATOM    601  CG  PRO A  38       6.029  -3.324  -8.052  1.00 10.81           C
ATOM    602  CD  PRO A  38       7.037  -2.165  -8.106  1.00 12.00           C
ATOM      0  HA  PRO A  38       6.319  -2.393  -5.312  1.00  9.08           H   new
ATOM      0  HB2 PRO A  38       6.949  -4.950  -6.908  1.00 10.31           H   new
ATOM      0  HB3 PRO A  38       5.392  -4.446  -6.282  1.00 10.31           H   new
ATOM      0  HG2 PRO A  38       6.145  -3.980  -8.915  1.00 10.81           H   new
ATOM      0  HG3 PRO A  38       5.005  -2.950  -8.072  1.00 10.81           H   new
ATOM      0  HD2 PRO A  38       7.756  -2.306  -8.913  1.00 12.00           H   new
ATOM      0  HD3 PRO A  38       6.535  -1.215  -8.289  1.00 12.00           H   new
ATOM    610  N   ASP A  39       9.154  -3.937  -5.006  1.00 11.20           N
ATOM    611  CA  ASP A  39       9.930  -4.540  -3.968  1.00 14.96           C
ATOM    612  C   ASP A  39      10.516  -3.530  -3.042  1.00 13.99           C
ATOM    613  O   ASP A  39      10.874  -3.821  -1.902  1.00 13.75           O
ATOM    614  CB  ASP A  39      11.004  -5.390  -4.669  1.00 24.16           C
ATOM    615  CG  ASP A  39      10.422  -6.462  -5.579  1.00 31.06           C
ATOM    616  OD1 ASP A  39       9.738  -7.443  -5.181  1.00 34.22           O
ATOM    617  OD2 ASP A  39      10.689  -6.279  -6.797  1.00 35.55           O
ATOM      0  H   ASP A  39       9.684  -3.710  -5.847  1.00 11.20           H   new
ATOM      0  HA  ASP A  39       9.305  -5.164  -3.329  1.00 14.96           H   new
ATOM      0  HB2 ASP A  39      11.650  -4.736  -5.256  1.00 24.16           H   new
ATOM      0  HB3 ASP A  39      11.632  -5.865  -3.915  1.00 24.16           H   new
ATOM    622  N   GLN A  40      10.661  -2.265  -3.474  1.00 11.60           N
ATOM    623  CA  GLN A  40      11.275  -1.258  -2.665  1.00 10.76           C
ATOM    624  C   GLN A  40      10.445  -0.714  -1.553  1.00  8.01           C
ATOM    625  O   GLN A  40      11.074  -0.081  -0.706  1.00  8.96           O
ATOM    626  CB  GLN A  40      11.647  -0.128  -3.640  1.00 11.14           C
ATOM    627  CG  GLN A  40      12.650  -0.625  -4.682  1.00 14.85           C
ATOM    628  CD  GLN A  40      13.552   0.501  -5.167  1.00 16.11           C
ATOM    629  OE1 GLN A  40      13.168   1.669  -5.128  1.00 20.52           O
ATOM    630  NE2 GLN A  40      14.807   0.190  -5.590  1.00 18.16           N
ATOM      0  H   GLN A  40      10.351  -1.938  -4.389  1.00 11.60           H   new
ATOM      0  HA  GLN A  40      12.123  -1.708  -2.149  1.00 10.76           H   new
ATOM      0  HB2 GLN A  40      10.750   0.240  -4.138  1.00 11.14           H   new
ATOM      0  HB3 GLN A  40      12.073   0.710  -3.088  1.00 11.14           H   new
ATOM      0  HG2 GLN A  40      13.258  -1.421  -4.253  1.00 14.85           H   new
ATOM      0  HG3 GLN A  40      12.114  -1.054  -5.529  1.00 14.85           H   new
ATOM      0 HE21 GLN A  40      15.110  -0.784  -5.616  1.00 18.16           H   new
ATOM      0 HE22 GLN A  40      15.445   0.931  -5.881  1.00 18.16           H   new
ATOM    639  N   GLN A  41       9.145  -1.053  -1.512  1.00  6.52           N
ATOM    640  CA  GLN A  41       8.160  -0.432  -0.681  1.00  3.87           C
ATOM    641  C   GLN A  41       7.621  -1.303   0.401  1.00  4.79           C
ATOM    642  O   GLN A  41       7.593  -2.521   0.235  1.00  6.34           O
ATOM    643  CB  GLN A  41       6.863   0.030  -1.366  1.00  4.20           C
ATOM    644  CG  GLN A  41       6.407  -0.889  -2.502  1.00  3.20           C
ATOM    645  CD  GLN A  41       5.341  -0.137  -3.286  1.00  4.89           C
ATOM    646  OE1 GLN A  41       4.149  -0.100  -2.988  1.00  5.21           O
ATOM    647  NE2 GLN A  41       5.843   0.348  -4.454  1.00  7.13           N
ATOM      0  H   GLN A  41       8.760  -1.800  -2.090  1.00  6.52           H   new
ATOM      0  HA  GLN A  41       8.763   0.406  -0.331  1.00  3.87           H   new
ATOM      0  HB2 GLN A  41       6.071   0.092  -0.620  1.00  4.20           H   new
ATOM      0  HB3 GLN A  41       7.009   1.036  -1.760  1.00  4.20           H   new
ATOM      0  HG2 GLN A  41       7.246  -1.150  -3.146  1.00  3.20           H   new
ATOM      0  HG3 GLN A  41       6.007  -1.822  -2.105  1.00  3.20           H   new
ATOM      0 HE21 GLN A  41       6.843   0.288  -4.643  1.00  7.13           H   new
ATOM      0 HE22 GLN A  41       5.219   0.772  -5.140  1.00  7.13           H   new
ATOM    656  N   ARG A  42       7.186  -0.775   1.559  1.00  5.73           N
ATOM    657  CA  ARG A  42       6.721  -1.539   2.675  1.00  6.97           C
ATOM    658  C   ARG A  42       5.375  -1.047   3.084  1.00  7.15           C
ATOM    659  O   ARG A  42       5.276  -0.064   3.817  1.00  7.33           O
ATOM    660  CB  ARG A  42       7.641  -1.423   3.901  1.00 13.23           C
ATOM    661  CG  ARG A  42       9.057  -1.927   3.615  1.00 21.27           C
ATOM    662  CD  ARG A  42      10.058  -1.790   4.764  1.00 26.14           C
ATOM    663  NE  ARG A  42       9.681  -2.598   5.958  1.00 32.26           N
ATOM    664  CZ  ARG A  42       9.907  -2.347   7.280  1.00 34.32           C
ATOM    665  NH1 ARG A  42      10.588  -1.287   7.805  1.00 35.30           N
ATOM    666  NH2 ARG A  42       9.291  -3.181   8.169  1.00 36.39           N
ATOM      0  H   ARG A  42       7.157   0.231   1.725  1.00  5.73           H   new
ATOM      0  HA  ARG A  42       6.698  -2.580   2.352  1.00  6.97           H   new
ATOM      0  HB2 ARG A  42       7.686  -0.382   4.221  1.00 13.23           H   new
ATOM      0  HB3 ARG A  42       7.215  -1.992   4.727  1.00 13.23           H   new
ATOM      0  HG2 ARG A  42       8.998  -2.978   3.333  1.00 21.27           H   new
ATOM      0  HG3 ARG A  42       9.447  -1.387   2.752  1.00 21.27           H   new
ATOM      0  HD2 ARG A  42      11.045  -2.099   4.419  1.00 26.14           H   new
ATOM      0  HD3 ARG A  42      10.134  -0.741   5.050  1.00 26.14           H   new
ATOM      0  HE  ARG A  42       9.181  -3.465   5.758  1.00 32.26           H   new
ATOM      0 HH11 ARG A  42      10.989  -0.582   7.187  1.00 35.30           H   new
ATOM      0 HH12 ARG A  42      10.696  -1.200   8.816  1.00 35.30           H   new
ATOM      0 HH21 ARG A  42       8.701  -3.941   7.831  1.00 36.39           H   new
ATOM      0 HH22 ARG A  42       9.421  -3.044   9.171  1.00 36.39           H   new
ATOM    680  N   LEU A  43       4.306  -1.669   2.556  1.00  4.65           N
ATOM    681  CA  LEU A  43       2.980  -1.383   3.007  1.00  3.51           C
ATOM    682  C   LEU A  43       2.596  -2.112   4.248  1.00  5.56           C
ATOM    683  O   LEU A  43       2.252  -3.291   4.169  1.00  4.19           O
ATOM    684  CB  LEU A  43       1.949  -1.503   1.871  1.00  3.74           C
ATOM    685  CG  LEU A  43       2.306  -0.654   0.639  1.00  6.32           C
ATOM    686  CD1 LEU A  43       1.287  -0.998  -0.460  1.00  6.41           C
ATOM    687  CD2 LEU A  43       2.089   0.833   0.969  1.00  9.55           C
ATOM      0  H   LEU A  43       4.360  -2.370   1.817  1.00  4.65           H   new
ATOM      0  HA  LEU A  43       2.980  -0.335   3.308  1.00  3.51           H   new
ATOM      0  HB2 LEU A  43       1.866  -2.548   1.573  1.00  3.74           H   new
ATOM      0  HB3 LEU A  43       0.971  -1.199   2.243  1.00  3.74           H   new
ATOM      0  HG  LEU A  43       3.337  -0.844   0.340  1.00  6.32           H   new
ATOM      0 HD11 LEU A  43       1.506  -0.415  -1.354  1.00  6.41           H   new
ATOM      0 HD12 LEU A  43       1.350  -2.060  -0.695  1.00  6.41           H   new
ATOM      0 HD13 LEU A  43       0.282  -0.763  -0.111  1.00  6.41           H   new
ATOM      0 HD21 LEU A  43       2.341   1.439   0.099  1.00  9.55           H   new
ATOM      0 HD22 LEU A  43       1.045   0.998   1.236  1.00  9.55           H   new
ATOM      0 HD23 LEU A  43       2.727   1.117   1.806  1.00  9.55           H   new
ATOM    699  N   ILE A  44       2.831  -1.487   5.415  1.00  4.58           N
ATOM    700  CA  ILE A  44       2.542  -2.119   6.665  1.00  5.55           C
ATOM    701  C   ILE A  44       1.156  -1.789   7.100  1.00  5.46           C
ATOM    702  O   ILE A  44       0.795  -0.613   7.085  1.00  6.04           O
ATOM    703  CB  ILE A  44       3.545  -1.718   7.705  1.00  6.80           C
ATOM    704  CG1 ILE A  44       4.986  -2.097   7.324  1.00 10.31           C
ATOM    705  CG2 ILE A  44       3.185  -2.331   9.069  1.00  7.39           C
ATOM    706  CD1 ILE A  44       5.904  -1.694   8.477  1.00 13.90           C
ATOM      0  H   ILE A  44       3.220  -0.547   5.494  1.00  4.58           H   new
ATOM      0  HA  ILE A  44       2.611  -3.199   6.536  1.00  5.55           H   new
ATOM      0  HB  ILE A  44       3.504  -0.631   7.770  1.00  6.80           H   new
ATOM      0 HG12 ILE A  44       5.060  -3.168   7.135  1.00 10.31           H   new
ATOM      0 HG13 ILE A  44       5.283  -1.590   6.406  1.00 10.31           H   new
ATOM      0 HG21 ILE A  44       3.925  -2.029   9.810  1.00  7.39           H   new
ATOM      0 HG22 ILE A  44       2.199  -1.982   9.376  1.00  7.39           H   new
ATOM      0 HG23 ILE A  44       3.176  -3.418   8.988  1.00  7.39           H   new
ATOM      0 HD11 ILE A  44       6.934  -1.953   8.230  1.00 13.90           H   new
ATOM      0 HD12 ILE A  44       5.830  -0.619   8.642  1.00 13.90           H   new
ATOM      0 HD13 ILE A  44       5.604  -2.222   9.382  1.00 13.90           H   new
ATOM    718  N   PHE A  45       0.373  -2.767   7.591  1.00  6.75           N
ATOM    719  CA  PHE A  45      -0.970  -2.598   8.052  1.00  4.70           C
ATOM    720  C   PHE A  45      -0.947  -3.081   9.461  1.00  6.34           C
ATOM    721  O   PHE A  45      -0.826  -4.272   9.744  1.00  5.45           O
ATOM    722  CB  PHE A  45      -2.016  -3.425   7.286  1.00  5.51           C
ATOM    723  CG  PHE A  45      -3.376  -2.862   7.511  1.00  5.98           C
ATOM    724  CD1 PHE A  45      -3.681  -1.620   7.004  1.00  6.86           C
ATOM    725  CD2 PHE A  45      -4.316  -3.578   8.215  1.00  5.87           C
ATOM    726  CE1 PHE A  45      -4.914  -1.058   7.236  1.00  6.68           C
ATOM    727  CE2 PHE A  45      -5.554  -3.002   8.380  1.00  6.64           C
ATOM    728  CZ  PHE A  45      -5.907  -1.783   7.852  1.00  6.84           C
ATOM      0  H   PHE A  45       0.697  -3.731   7.670  1.00  6.75           H   new
ATOM      0  HA  PHE A  45      -1.262  -1.556   7.919  1.00  4.70           H   new
ATOM      0  HB2 PHE A  45      -1.784  -3.423   6.221  1.00  5.51           H   new
ATOM      0  HB3 PHE A  45      -1.984  -4.463   7.617  1.00  5.51           H   new
ATOM      0  HD1 PHE A  45      -2.948  -1.083   6.420  1.00  6.86           H   new
ATOM      0  HD2 PHE A  45      -4.091  -4.553   8.622  1.00  5.87           H   new
ATOM      0  HE1 PHE A  45      -5.104  -0.039   6.932  1.00  6.68           H   new
ATOM      0  HE2 PHE A  45      -6.292  -3.539   8.958  1.00  6.64           H   new
ATOM      0  HZ  PHE A  45      -6.919  -1.411   7.918  1.00  6.84           H   new
ATOM    738  N   ALA A  46      -1.138  -2.188  10.449  1.00  6.53           N
ATOM    739  CA  ALA A  46      -0.954  -2.399  11.852  1.00  7.15           C
ATOM    740  C   ALA A  46       0.414  -2.879  12.194  1.00  9.00           C
ATOM    741  O   ALA A  46       1.375  -2.115  12.119  1.00 11.15           O
ATOM    742  CB  ALA A  46      -2.066  -3.335  12.356  1.00  8.99           C
ATOM      0  H   ALA A  46      -1.448  -1.237  10.247  1.00  6.53           H   new
ATOM      0  HA  ALA A  46      -1.036  -1.443  12.369  1.00  7.15           H   new
ATOM      0  HB1 ALA A  46      -1.940  -3.507  13.425  1.00  8.99           H   new
ATOM      0  HB2 ALA A  46      -3.038  -2.876  12.174  1.00  8.99           H   new
ATOM      0  HB3 ALA A  46      -2.009  -4.286  11.827  1.00  8.99           H   new
ATOM    748  N   GLY A  47       0.551  -4.158  12.589  1.00  9.35           N
ATOM    749  CA  GLY A  47       1.810  -4.826  12.698  1.00 11.68           C
ATOM    750  C   GLY A  47       2.283  -5.580  11.502  1.00 11.14           C
ATOM    751  O   GLY A  47       3.482  -5.856  11.489  1.00 13.93           O
ATOM      0  H   GLY A  47      -0.243  -4.747  12.841  1.00  9.35           H   new
ATOM      0  HA2 GLY A  47       2.567  -4.083  12.951  1.00 11.68           H   new
ATOM      0  HA3 GLY A  47       1.753  -5.521  13.536  1.00 11.68           H   new
ATOM    755  N   LYS A  48       1.404  -5.947  10.553  1.00 10.47           N
ATOM    756  CA  LYS A  48       1.663  -6.907   9.525  1.00  8.82           C
ATOM    757  C   LYS A  48       1.886  -6.318   8.174  1.00  7.68           C
ATOM    758  O   LYS A  48       1.349  -5.270   7.822  1.00  6.47           O
ATOM    759  CB  LYS A  48       0.579  -7.997   9.470  1.00  9.74           C
ATOM    760  CG  LYS A  48      -0.841  -7.623   9.041  1.00 14.14           C
ATOM    761  CD  LYS A  48      -1.898  -8.611   9.540  1.00 16.32           C
ATOM    762  CE  LYS A  48      -1.801  -9.930   8.771  1.00 20.04           C
ATOM    763  NZ  LYS A  48      -2.847 -10.916   9.123  1.00 23.92           N
ATOM      0  H   LYS A  48       0.464  -5.554  10.500  1.00 10.47           H   new
ATOM      0  HA  LYS A  48       2.609  -7.367   9.812  1.00  8.82           H   new
ATOM      0  HB2 LYS A  48       0.931  -8.775   8.792  1.00  9.74           H   new
ATOM      0  HB3 LYS A  48       0.514  -8.444  10.462  1.00  9.74           H   new
ATOM      0  HG2 LYS A  48      -1.077  -6.627   9.416  1.00 14.14           H   new
ATOM      0  HG3 LYS A  48      -0.884  -7.572   7.953  1.00 14.14           H   new
ATOM      0  HD2 LYS A  48      -1.760  -8.793  10.606  1.00 16.32           H   new
ATOM      0  HD3 LYS A  48      -2.893  -8.183   9.416  1.00 16.32           H   new
ATOM      0  HE2 LYS A  48      -1.860  -9.720   7.703  1.00 20.04           H   new
ATOM      0  HE3 LYS A  48      -0.823 -10.374   8.955  1.00 20.04           H   new
ATOM      0  HZ1 LYS A  48      -2.713 -11.780   8.560  1.00 23.92           H   new
ATOM      0  HZ2 LYS A  48      -2.780 -11.147  10.135  1.00 23.92           H   new
ATOM      0  HZ3 LYS A  48      -3.785 -10.514   8.922  1.00 23.92           H   new
ATOM    777  N   GLN A  49       2.945  -6.830   7.521  1.00  8.89           N
ATOM    778  CA  GLN A  49       3.203  -6.611   6.131  1.00  7.18           C
ATOM    779  C   GLN A  49       2.260  -7.362   5.255  1.00  8.23           C
ATOM    780  O   GLN A  49       1.901  -8.521   5.456  1.00  9.70           O
ATOM    781  CB  GLN A  49       4.675  -7.004   5.920  1.00 11.67           C
ATOM    782  CG  GLN A  49       5.083  -8.464   5.716  1.00 15.82           C
ATOM    783  CD  GLN A  49       6.604  -8.446   5.713  1.00 20.21           C
ATOM    784  OE1 GLN A  49       7.208  -8.154   6.745  1.00 23.23           O
ATOM    785  NE2 GLN A  49       7.358  -8.710   4.612  1.00 20.67           N
ATOM      0  H   GLN A  49       3.645  -7.416   7.976  1.00  8.89           H   new
ATOM      0  HA  GLN A  49       3.039  -5.571   5.850  1.00  7.18           H   new
ATOM      0  HB2 GLN A  49       5.031  -6.449   5.052  1.00 11.67           H   new
ATOM      0  HB3 GLN A  49       5.230  -6.636   6.783  1.00 11.67           H   new
ATOM      0  HG2 GLN A  49       4.697  -9.098   6.514  1.00 15.82           H   new
ATOM      0  HG3 GLN A  49       4.690  -8.857   4.778  1.00 15.82           H   new
ATOM      0 HE21 GLN A  49       6.906  -8.957   3.732  1.00 20.67           H   new
ATOM      0 HE22 GLN A  49       8.375  -8.661   4.667  1.00 20.67           H   new
ATOM    794  N   LEU A  50       1.810  -6.675   4.190  1.00  6.51           N
ATOM    795  CA  LEU A  50       0.748  -7.046   3.307  1.00  7.41           C
ATOM    796  C   LEU A  50       1.277  -7.664   2.058  1.00  8.27           C
ATOM    797  O   LEU A  50       2.342  -7.279   1.577  1.00  8.34           O
ATOM    798  CB  LEU A  50      -0.078  -5.847   2.811  1.00  7.13           C
ATOM    799  CG  LEU A  50      -0.882  -5.027   3.833  1.00  7.53           C
ATOM    800  CD1 LEU A  50      -1.562  -3.837   3.135  1.00  9.11           C
ATOM    801  CD2 LEU A  50      -1.864  -5.939   4.589  1.00  8.14           C
ATOM      0  H   LEU A  50       2.227  -5.782   3.925  1.00  6.51           H   new
ATOM      0  HA  LEU A  50       0.137  -7.727   3.899  1.00  7.41           H   new
ATOM      0  HB2 LEU A  50       0.603  -5.164   2.303  1.00  7.13           H   new
ATOM      0  HB3 LEU A  50      -0.777  -6.216   2.061  1.00  7.13           H   new
ATOM      0  HG  LEU A  50      -0.215  -4.605   4.584  1.00  7.53           H   new
ATOM      0 HD11 LEU A  50      -2.129  -3.262   3.867  1.00  9.11           H   new
ATOM      0 HD12 LEU A  50      -0.803  -3.199   2.681  1.00  9.11           H   new
ATOM      0 HD13 LEU A  50      -2.236  -4.205   2.362  1.00  9.11           H   new
ATOM      0 HD21 LEU A  50      -2.428  -5.348   5.310  1.00  8.14           H   new
ATOM      0 HD22 LEU A  50      -2.552  -6.400   3.880  1.00  8.14           H   new
ATOM      0 HD23 LEU A  50      -1.308  -6.717   5.113  1.00  8.14           H   new
ATOM    813  N   GLU A  51       0.588  -8.697   1.542  1.00  9.43           N
ATOM    814  CA  GLU A  51       1.119  -9.554   0.528  1.00 11.90           C
ATOM    815  C   GLU A  51       0.309  -9.539  -0.723  1.00 11.49           C
ATOM    816  O   GLU A  51      -0.915  -9.421  -0.737  1.00  9.88           O
ATOM    817  CB  GLU A  51       1.200 -11.001   1.040  1.00 16.56           C
ATOM    818  CG  GLU A  51       2.040 -11.140   2.312  1.00 26.06           C
ATOM    819  CD  GLU A  51       2.108 -12.569   2.830  1.00 29.86           C
ATOM    820  OE1 GLU A  51       1.113 -13.020   3.458  1.00 32.13           O
ATOM    821  OE2 GLU A  51       3.096 -13.307   2.573  1.00 33.44           O
ATOM      0  H   GLU A  51      -0.358  -8.942   1.835  1.00  9.43           H   new
ATOM      0  HA  GLU A  51       2.113  -9.171   0.294  1.00 11.90           H   new
ATOM      0  HB2 GLU A  51       0.192 -11.368   1.235  1.00 16.56           H   new
ATOM      0  HB3 GLU A  51       1.625 -11.633   0.260  1.00 16.56           H   new
ATOM      0  HG2 GLU A  51       3.051 -10.784   2.113  1.00 26.06           H   new
ATOM      0  HG3 GLU A  51       1.622 -10.498   3.088  1.00 26.06           H   new
ATOM    828  N   ASP A  52       1.091  -9.463  -1.815  1.00 12.71           N
ATOM    829  CA  ASP A  52       0.745  -9.051  -3.140  1.00 16.56           C
ATOM    830  C   ASP A  52      -0.489  -9.729  -3.628  1.00 15.83           C
ATOM    831  O   ASP A  52      -1.413  -8.973  -3.922  1.00 17.21           O
ATOM    832  CB  ASP A  52       1.916  -9.151  -4.132  1.00 21.05           C
ATOM    833  CG  ASP A  52       3.100  -8.351  -3.609  1.00 25.12           C
ATOM    834  OD1 ASP A  52       3.812  -8.804  -2.675  1.00 25.82           O
ATOM    835  OD2 ASP A  52       3.396  -7.306  -4.248  1.00 28.37           O
ATOM      0  H   ASP A  52       2.076  -9.720  -1.759  1.00 12.71           H   new
ATOM      0  HA  ASP A  52       0.514  -7.987  -3.080  1.00 16.56           H   new
ATOM      0  HB2 ASP A  52       2.201 -10.194  -4.269  1.00 21.05           H   new
ATOM      0  HB3 ASP A  52       1.612  -8.773  -5.108  1.00 21.05           H   new
ATOM    840  N   GLY A  53      -0.623 -11.063  -3.735  1.00 15.00           N
ATOM    841  CA  GLY A  53      -1.801 -11.604  -4.339  1.00 11.77           C
ATOM    842  C   GLY A  53      -3.131 -11.595  -3.667  1.00 11.10           C
ATOM    843  O   GLY A  53      -4.122 -11.950  -4.303  1.00 11.25           O
ATOM      0  H   GLY A  53       0.061 -11.749  -3.415  1.00 15.00           H   new
ATOM      0  HA2 GLY A  53      -1.930 -11.084  -5.288  1.00 11.77           H   new
ATOM      0  HA3 GLY A  53      -1.579 -12.645  -4.574  1.00 11.77           H   new
ATOM    847  N   ARG A  54      -3.097 -11.237  -2.371  1.00  8.53           N
ATOM    848  CA  ARG A  54      -4.325 -11.080  -1.656  1.00  9.05           C
ATOM    849  C   ARG A  54      -5.030  -9.790  -1.894  1.00  8.96           C
ATOM    850  O   ARG A  54      -4.414  -8.752  -2.130  1.00 11.60           O
ATOM    851  CB  ARG A  54      -4.025 -11.312  -0.165  1.00  7.97           C
ATOM    852  CG  ARG A  54      -3.568 -12.706   0.269  1.00  9.62           C
ATOM    853  CD  ARG A  54      -4.714 -13.710   0.125  1.00 12.20           C
ATOM    854  NE  ARG A  54      -4.269 -15.004   0.715  1.00 18.23           N
ATOM    855  CZ  ARG A  54      -5.079 -15.717   1.551  1.00 22.08           C
ATOM    856  NH1 ARG A  54      -6.112 -15.094   2.191  1.00 23.38           N
ATOM    857  NH2 ARG A  54      -4.888 -17.026   1.887  1.00 25.50           N
ATOM      0  H   ARG A  54      -2.249 -11.061  -1.832  1.00  8.53           H   new
ATOM      0  HA  ARG A  54      -5.033 -11.818  -2.033  1.00  9.05           H   new
ATOM      0  HB2 ARG A  54      -3.256 -10.600   0.135  1.00  7.97           H   new
ATOM      0  HB3 ARG A  54      -4.925 -11.065   0.399  1.00  7.97           H   new
ATOM      0  HG2 ARG A  54      -2.720 -13.023  -0.337  1.00  9.62           H   new
ATOM      0  HG3 ARG A  54      -3.228 -12.679   1.304  1.00  9.62           H   new
ATOM      0  HD2 ARG A  54      -5.606 -13.346   0.634  1.00 12.20           H   new
ATOM      0  HD3 ARG A  54      -4.977 -13.840  -0.925  1.00 12.20           H   new
ATOM      0  HE  ARG A  54      -3.341 -15.364   0.490  1.00 18.23           H   new
ATOM      0 HH11 ARG A  54      -6.277 -14.098   2.044  1.00 23.38           H   new
ATOM      0 HH12 ARG A  54      -6.719 -15.624   2.816  1.00 23.38           H   new
ATOM      0 HH21 ARG A  54      -4.094 -17.540   1.505  1.00 25.50           H   new
ATOM      0 HH22 ARG A  54      -5.539 -17.490   2.520  1.00 25.50           H   new
ATOM    871  N   THR A  55      -6.354  -9.817  -1.653  1.00  9.05           N
ATOM    872  CA  THR A  55      -7.151  -8.662  -1.928  1.00  9.03           C
ATOM    873  C   THR A  55      -7.266  -7.854  -0.681  1.00  8.15           C
ATOM    874  O   THR A  55      -6.794  -8.130   0.421  1.00  5.91           O
ATOM    875  CB  THR A  55      -8.540  -8.920  -2.433  1.00 11.15           C
ATOM    876  OG1 THR A  55      -9.391  -9.513  -1.463  1.00 11.95           O
ATOM    877  CG2 THR A  55      -8.465  -9.848  -3.657  1.00 11.71           C
ATOM      0  H   THR A  55      -6.862 -10.617  -1.277  1.00  9.05           H   new
ATOM      0  HA  THR A  55      -6.630  -8.151  -2.737  1.00  9.03           H   new
ATOM      0  HB  THR A  55      -8.968  -7.951  -2.688  1.00 11.15           H   new
ATOM      0  HG1 THR A  55     -10.214  -8.987  -1.384  1.00 11.95           H   new
ATOM      0 HG21 THR A  55      -9.471 -10.040  -4.030  1.00 11.71           H   new
ATOM      0 HG22 THR A  55      -7.873  -9.372  -4.439  1.00 11.71           H   new
ATOM      0 HG23 THR A  55      -7.998 -10.790  -3.371  1.00 11.71           H   new
ATOM    885  N   LEU A  56      -7.792  -6.636  -0.899  1.00  6.91           N
ATOM    886  CA  LEU A  56      -7.941  -5.631   0.108  1.00  8.29           C
ATOM    887  C   LEU A  56      -9.054  -6.077   0.994  1.00  8.05           C
ATOM    888  O   LEU A  56      -8.982  -5.875   2.205  1.00 10.17           O
ATOM    889  CB  LEU A  56      -8.297  -4.296  -0.567  1.00  6.60           C
ATOM    890  CG  LEU A  56      -7.084  -3.727  -1.322  1.00  7.73           C
ATOM    891  CD1 LEU A  56      -7.488  -3.059  -2.647  1.00  8.64           C
ATOM    892  CD2 LEU A  56      -6.426  -2.683  -0.404  1.00  9.85           C
ATOM      0  H   LEU A  56      -8.128  -6.339  -1.815  1.00  6.91           H   new
ATOM      0  HA  LEU A  56      -7.025  -5.491   0.683  1.00  8.29           H   new
ATOM      0  HB2 LEU A  56      -9.126  -4.443  -1.259  1.00  6.60           H   new
ATOM      0  HB3 LEU A  56      -8.632  -3.581   0.184  1.00  6.60           H   new
ATOM      0  HG  LEU A  56      -6.402  -4.540  -1.570  1.00  7.73           H   new
ATOM      0 HD11 LEU A  56      -6.599  -2.672  -3.145  1.00  8.64           H   new
ATOM      0 HD12 LEU A  56      -7.974  -3.792  -3.291  1.00  8.64           H   new
ATOM      0 HD13 LEU A  56      -8.177  -2.239  -2.446  1.00  8.64           H   new
ATOM      0 HD21 LEU A  56      -5.558  -2.254  -0.905  1.00  9.85           H   new
ATOM      0 HD22 LEU A  56      -7.143  -1.893  -0.179  1.00  9.85           H   new
ATOM      0 HD23 LEU A  56      -6.110  -3.161   0.523  1.00  9.85           H   new
ATOM    904  N   SER A  57     -10.072  -6.627   0.308  1.00  8.92           N
ATOM    905  CA  SER A  57     -11.161  -7.220   1.021  1.00  9.00           C
ATOM    906  C   SER A  57     -10.829  -8.408   1.857  1.00  9.44           C
ATOM    907  O   SER A  57     -11.515  -8.616   2.857  1.00 10.91           O
ATOM    908  CB  SER A  57     -12.303  -7.626   0.075  1.00 10.32           C
ATOM    909  OG  SER A  57     -11.870  -8.502  -0.955  1.00 13.59           O
ATOM      0  H   SER A  57     -10.143  -6.662  -0.709  1.00  8.92           H   new
ATOM      0  HA  SER A  57     -11.459  -6.423   1.702  1.00  9.00           H   new
ATOM      0  HB2 SER A  57     -13.093  -8.109   0.650  1.00 10.32           H   new
ATOM      0  HB3 SER A  57     -12.736  -6.731  -0.372  1.00 10.32           H   new
ATOM      0  HG  SER A  57     -12.630  -8.733  -1.529  1.00 13.59           H   new
ATOM    915  N   ASP A  58      -9.815  -9.240   1.560  1.00  9.11           N
ATOM    916  CA  ASP A  58      -9.228 -10.312   2.303  1.00  7.91           C
ATOM    917  C   ASP A  58      -8.580  -9.869   3.570  1.00  9.12           C
ATOM    918  O   ASP A  58      -8.954 -10.366   4.631  1.00  8.61           O
ATOM    919  CB  ASP A  58      -8.315 -11.117   1.364  1.00  8.41           C
ATOM    920  CG  ASP A  58      -7.952 -12.395   2.106  1.00 11.50           C
ATOM    921  OD1 ASP A  58      -8.850 -13.261   2.283  1.00 11.70           O
ATOM    922  OD2 ASP A  58      -6.736 -12.504   2.420  1.00 10.05           O
ATOM      0  H   ASP A  58      -9.340  -9.140   0.663  1.00  9.11           H   new
ATOM      0  HA  ASP A  58     -10.014 -10.977   2.659  1.00  7.91           H   new
ATOM      0  HB2 ASP A  58      -8.825 -11.343   0.427  1.00  8.41           H   new
ATOM      0  HB3 ASP A  58      -7.420 -10.548   1.111  1.00  8.41           H   new
ATOM    927  N   TYR A  59      -7.708  -8.846   3.545  1.00  7.97           N
ATOM    928  CA  TYR A  59      -7.204  -8.139   4.681  1.00  8.45           C
ATOM    929  C   TYR A  59      -8.207  -7.362   5.462  1.00 10.98           C
ATOM    930  O   TYR A  59      -8.112  -7.294   6.686  1.00 12.95           O
ATOM    931  CB  TYR A  59      -6.103  -7.138   4.291  1.00  7.94           C
ATOM    932  CG  TYR A  59      -4.907  -7.949   3.926  1.00  6.91           C
ATOM    933  CD1 TYR A  59      -4.206  -8.689   4.850  1.00  6.98           C
ATOM    934  CD2 TYR A  59      -4.470  -7.970   2.623  1.00  4.59           C
ATOM    935  CE1 TYR A  59      -3.055  -9.342   4.477  1.00  6.52           C
ATOM    936  CE2 TYR A  59      -3.285  -8.571   2.269  1.00  5.39           C
ATOM    937  CZ  TYR A  59      -2.541  -9.249   3.205  1.00  6.76           C
ATOM    938  OH  TYR A  59      -1.554 -10.181   2.820  1.00  7.63           O
ATOM      0  H   TYR A  59      -7.329  -8.488   2.668  1.00  7.97           H   new
ATOM      0  HA  TYR A  59      -6.833  -8.950   5.308  1.00  8.45           H   new
ATOM      0  HB2 TYR A  59      -6.422  -6.517   3.454  1.00  7.94           H   new
ATOM      0  HB3 TYR A  59      -5.878  -6.466   5.119  1.00  7.94           H   new
ATOM      0  HD1 TYR A  59      -4.560  -8.757   5.868  1.00  6.98           H   new
ATOM      0  HD2 TYR A  59      -5.072  -7.503   1.858  1.00  4.59           H   new
ATOM      0  HE1 TYR A  59      -2.538  -9.948   5.207  1.00  6.52           H   new
ATOM      0  HE2 TYR A  59      -2.936  -8.510   1.249  1.00  5.39           H   new
ATOM      0  HH  TYR A  59      -1.676 -10.415   1.876  1.00  7.63           H   new
ATOM    948  N   ASN A  60      -9.282  -6.826   4.856  1.00 12.38           N
ATOM    949  CA  ASN A  60     -10.404  -6.100   5.366  1.00 13.94           C
ATOM    950  C   ASN A  60     -10.064  -4.663   5.560  1.00 14.16           C
ATOM    951  O   ASN A  60     -10.555  -3.989   6.465  1.00 14.26           O
ATOM    952  CB  ASN A  60     -11.068  -6.538   6.682  1.00 19.23           C
ATOM    953  CG  ASN A  60     -11.303  -8.023   6.444  1.00 22.65           C
ATOM    954  OD1 ASN A  60     -12.032  -8.400   5.528  1.00 25.45           O
ATOM    955  ND2 ASN A  60     -10.771  -8.842   7.390  1.00 24.09           N
ATOM      0  H   ASN A  60      -9.371  -6.922   3.844  1.00 12.38           H   new
ATOM      0  HA  ASN A  60     -11.129  -6.315   4.581  1.00 13.94           H   new
ATOM      0  HB2 ASN A  60     -10.423  -6.361   7.542  1.00 19.23           H   new
ATOM      0  HB3 ASN A  60     -11.999  -6.003   6.866  1.00 19.23           H   new
ATOM      0 HD21 ASN A  60     -10.969  -9.842   7.369  1.00 24.09           H   new
ATOM      0 HD22 ASN A  60     -10.174  -8.456   8.121  1.00 24.09           H   new
ATOM    962  N   ILE A  61      -9.325  -4.178   4.547  1.00 11.08           N
ATOM    963  CA  ILE A  61      -8.961  -2.819   4.290  1.00 11.78           C
ATOM    964  C   ILE A  61     -10.120  -2.117   3.669  1.00 13.74           C
ATOM    965  O   ILE A  61     -10.412  -1.990   2.481  1.00 14.60           O
ATOM    966  CB  ILE A  61      -7.740  -2.723   3.424  1.00 11.80           C
ATOM    967  CG1 ILE A  61      -6.543  -3.341   4.166  1.00 11.56           C
ATOM    968  CG2 ILE A  61      -7.420  -1.271   3.031  1.00 13.29           C
ATOM    969  CD1 ILE A  61      -5.409  -3.726   3.217  1.00 11.42           C
ATOM      0  H   ILE A  61      -8.945  -4.804   3.837  1.00 11.08           H   new
ATOM      0  HA  ILE A  61      -8.708  -2.337   5.235  1.00 11.78           H   new
ATOM      0  HB  ILE A  61      -7.937  -3.271   2.503  1.00 11.80           H   new
ATOM      0 HG12 ILE A  61      -6.171  -2.631   4.905  1.00 11.56           H   new
ATOM      0 HG13 ILE A  61      -6.873  -4.225   4.711  1.00 11.56           H   new
ATOM      0 HG21 ILE A  61      -6.528  -1.252   2.404  1.00 13.29           H   new
ATOM      0 HG22 ILE A  61      -8.260  -0.850   2.479  1.00 13.29           H   new
ATOM      0 HG23 ILE A  61      -7.244  -0.681   3.930  1.00 13.29           H   new
ATOM      0 HD11 ILE A  61      -4.587  -4.158   3.788  1.00 11.42           H   new
ATOM      0 HD12 ILE A  61      -5.772  -4.457   2.494  1.00 11.42           H   new
ATOM      0 HD13 ILE A  61      -5.058  -2.838   2.691  1.00 11.42           H   new
ATOM    981  N   GLN A  62     -10.964  -1.472   4.494  1.00 13.97           N
ATOM    982  CA  GLN A  62     -12.132  -0.730   4.131  1.00 15.52           C
ATOM    983  C   GLN A  62     -11.785   0.670   3.755  1.00 13.94           C
ATOM    984  O   GLN A  62     -10.637   1.081   3.911  1.00 12.15           O
ATOM    985  CB  GLN A  62     -13.072  -0.680   5.347  1.00 19.53           C
ATOM    986  CG  GLN A  62     -13.662  -2.063   5.632  1.00 26.38           C
ATOM    987  CD  GLN A  62     -14.754  -2.371   4.617  1.00 30.61           C
ATOM    988  OE1 GLN A  62     -14.648  -2.652   3.425  1.00 33.23           O
ATOM    989  NE2 GLN A  62     -16.002  -2.100   5.086  1.00 32.71           N
ATOM      0  H   GLN A  62     -10.815  -1.471   5.503  1.00 13.97           H   new
ATOM      0  HA  GLN A  62     -12.604  -1.218   3.278  1.00 15.52           H   new
ATOM      0  HB2 GLN A  62     -12.526  -0.325   6.221  1.00 19.53           H   new
ATOM      0  HB3 GLN A  62     -13.876   0.033   5.163  1.00 19.53           H   new
ATOM      0  HG2 GLN A  62     -12.880  -2.821   5.581  1.00 26.38           H   new
ATOM      0  HG3 GLN A  62     -14.071  -2.094   6.642  1.00 26.38           H   new
ATOM      0 HE21 GLN A  62     -16.137  -1.862   6.069  1.00 32.71           H   new
ATOM      0 HE22 GLN A  62     -16.803  -2.135   4.455  1.00 32.71           H   new
ATOM    998  N   LYS A  63     -12.775   1.461   3.304  1.00 11.73           N
ATOM    999  CA  LYS A  63     -12.616   2.862   3.063  1.00 11.97           C
ATOM   1000  C   LYS A  63     -12.090   3.669   4.200  1.00 10.41           C
ATOM   1001  O   LYS A  63     -12.576   3.673   5.330  1.00  9.59           O
ATOM   1002  CB  LYS A  63     -13.942   3.388   2.490  1.00 13.73           C
ATOM   1003  CG  LYS A  63     -14.224   4.892   2.507  1.00 16.98           C
ATOM   1004  CD  LYS A  63     -15.628   5.341   2.097  1.00 20.19           C
ATOM   1005  CE  LYS A  63     -15.769   6.862   2.193  1.00 23.42           C
ATOM   1006  NZ  LYS A  63     -15.982   7.377   3.564  1.00 25.97           N
ATOM      0  H   LYS A  63     -13.713   1.116   3.101  1.00 11.73           H   new
ATOM      0  HA  LYS A  63     -11.811   2.986   2.339  1.00 11.97           H   new
ATOM      0  HB2 LYS A  63     -14.006   3.055   1.454  1.00 13.73           H   new
ATOM      0  HB3 LYS A  63     -14.750   2.898   3.033  1.00 13.73           H   new
ATOM      0  HG2 LYS A  63     -14.031   5.261   3.514  1.00 16.98           H   new
ATOM      0  HG3 LYS A  63     -13.506   5.379   1.846  1.00 16.98           H   new
ATOM      0  HD2 LYS A  63     -15.833   5.017   1.077  1.00 20.19           H   new
ATOM      0  HD3 LYS A  63     -16.368   4.863   2.738  1.00 20.19           H   new
ATOM      0  HE2 LYS A  63     -14.871   7.323   1.781  1.00 23.42           H   new
ATOM      0  HE3 LYS A  63     -16.604   7.176   1.567  1.00 23.42           H   new
ATOM      0  HZ1 LYS A  63     -16.201   8.393   3.523  1.00 25.97           H   new
ATOM      0  HZ2 LYS A  63     -16.775   6.869   4.006  1.00 25.97           H   new
ATOM      0  HZ3 LYS A  63     -15.120   7.231   4.127  1.00 25.97           H   new
ATOM   1020  N   GLU A  64     -11.027   4.424   3.868  1.00 10.04           N
ATOM   1021  CA  GLU A  64     -10.248   5.377   4.596  1.00 10.94           C
ATOM   1022  C   GLU A  64      -9.235   4.838   5.548  1.00  9.74           C
ATOM   1023  O   GLU A  64      -8.823   5.515   6.488  1.00  9.42           O
ATOM   1024  CB  GLU A  64     -11.175   6.460   5.172  1.00 18.31           C
ATOM   1025  CG  GLU A  64     -11.838   7.368   4.135  1.00 24.16           C
ATOM   1026  CD  GLU A  64     -12.928   8.248   4.729  1.00 29.00           C
ATOM   1027  OE1 GLU A  64     -13.923   7.728   5.302  1.00 31.72           O
ATOM   1028  OE2 GLU A  64     -12.744   9.492   4.808  1.00 32.61           O
ATOM      0  H   GLU A  64     -10.657   4.345   2.921  1.00 10.04           H   new
ATOM      0  HA  GLU A  64      -9.577   5.841   3.873  1.00 10.94           H   new
ATOM      0  HB2 GLU A  64     -11.955   5.974   5.758  1.00 18.31           H   new
ATOM      0  HB3 GLU A  64     -10.600   7.080   5.860  1.00 18.31           H   new
ATOM      0  HG2 GLU A  64     -11.079   8.000   3.674  1.00 24.16           H   new
ATOM      0  HG3 GLU A  64     -12.265   6.754   3.342  1.00 24.16           H   new
ATOM   1035  N   SER A  65      -8.693   3.642   5.258  1.00  6.85           N
ATOM   1036  CA  SER A  65      -7.873   2.874   6.142  1.00  6.90           C
ATOM   1037  C   SER A  65      -6.495   3.433   6.052  1.00  4.72           C
ATOM   1038  O   SER A  65      -6.041   3.870   4.995  1.00  3.91           O
ATOM   1039  CB  SER A  65      -7.800   1.363   5.863  1.00  7.28           C
ATOM   1040  OG  SER A  65      -9.006   0.646   6.085  1.00 10.56           O
ATOM      0  H   SER A  65      -8.835   3.186   4.357  1.00  6.85           H   new
ATOM      0  HA  SER A  65      -8.330   2.954   7.128  1.00  6.90           H   new
ATOM      0  HB2 SER A  65      -7.495   1.216   4.827  1.00  7.28           H   new
ATOM      0  HB3 SER A  65      -7.020   0.932   6.490  1.00  7.28           H   new
ATOM      0  HG  SER A  65      -9.618   0.795   5.334  1.00 10.56           H   new
ATOM   1046  N   THR A  66      -5.691   3.384   7.129  1.00  4.48           N
ATOM   1047  CA  THR A  66      -4.341   3.856   7.086  1.00  3.80           C
ATOM   1048  C   THR A  66      -3.366   2.768   6.797  1.00  4.60           C
ATOM   1049  O   THR A  66      -3.251   1.766   7.502  1.00  5.33           O
ATOM   1050  CB  THR A  66      -3.888   4.525   8.350  1.00  2.85           C
ATOM   1051  OG1 THR A  66      -4.716   5.652   8.597  1.00  2.15           O
ATOM   1052  CG2 THR A  66      -2.441   5.045   8.336  1.00  3.40           C
ATOM      0  H   THR A  66      -5.978   3.015   8.036  1.00  4.48           H   new
ATOM      0  HA  THR A  66      -4.357   4.588   6.278  1.00  3.80           H   new
ATOM      0  HB  THR A  66      -3.951   3.751   9.115  1.00  2.85           H   new
ATOM      0  HG1 THR A  66      -4.428   6.095   9.423  1.00  2.15           H   new
ATOM      0 HG21 THR A  66      -2.212   5.511   9.295  1.00  3.40           H   new
ATOM      0 HG22 THR A  66      -1.757   4.214   8.164  1.00  3.40           H   new
ATOM      0 HG23 THR A  66      -2.326   5.780   7.539  1.00  3.40           H   new
ATOM   1060  N   LEU A  67      -2.617   2.832   5.681  1.00  4.17           N
ATOM   1061  CA  LEU A  67      -1.495   1.990   5.405  1.00  3.85           C
ATOM   1062  C   LEU A  67      -0.284   2.812   5.687  1.00  3.80           C
ATOM   1063  O   LEU A  67      -0.196   3.942   5.211  1.00  5.54           O
ATOM   1064  CB  LEU A  67      -1.427   1.487   3.954  1.00  7.18           C
ATOM   1065  CG  LEU A  67      -2.581   0.539   3.584  1.00  9.67           C
ATOM   1066  CD1 LEU A  67      -3.991   1.153   3.606  1.00 11.66           C
ATOM   1067  CD2 LEU A  67      -2.261  -0.161   2.253  1.00  8.12           C
ATOM      0  H   LEU A  67      -2.803   3.503   4.936  1.00  4.17           H   new
ATOM      0  HA  LEU A  67      -1.574   1.095   6.023  1.00  3.85           H   new
ATOM      0  HB2 LEU A  67      -1.438   2.343   3.279  1.00  7.18           H   new
ATOM      0  HB3 LEU A  67      -0.479   0.972   3.799  1.00  7.18           H   new
ATOM      0  HG  LEU A  67      -2.635  -0.197   4.386  1.00  9.67           H   new
ATOM      0 HD11 LEU A  67      -4.723   0.394   3.329  1.00 11.66           H   new
ATOM      0 HD12 LEU A  67      -4.212   1.522   4.608  1.00 11.66           H   new
ATOM      0 HD13 LEU A  67      -4.039   1.979   2.897  1.00 11.66           H   new
ATOM      0 HD21 LEU A  67      -3.078  -0.833   1.990  1.00  8.12           H   new
ATOM      0 HD22 LEU A  67      -2.139   0.586   1.469  1.00  8.12           H   new
ATOM      0 HD23 LEU A  67      -1.339  -0.733   2.355  1.00  8.12           H   new
ATOM   1079  N   HIS A  68       0.737   2.230   6.342  1.00  2.94           N
ATOM   1080  CA  HIS A  68       2.011   2.867   6.468  1.00  4.17           C
ATOM   1081  C   HIS A  68       3.074   2.453   5.509  1.00  5.32           C
ATOM   1082  O   HIS A  68       3.512   1.304   5.508  1.00  7.70           O
ATOM   1083  CB  HIS A  68       2.631   2.595   7.849  1.00  5.57           C
ATOM   1084  CG  HIS A  68       1.667   2.695   8.993  1.00  9.95           C
ATOM   1085  ND1 HIS A  68       1.150   1.546   9.558  1.00 13.74           N
ATOM   1086  CD2 HIS A  68       0.927   3.721   9.493  1.00 12.79           C
ATOM   1087  CE1 HIS A  68       0.198   1.961  10.436  1.00 14.75           C
ATOM   1088  NE2 HIS A  68       0.021   3.269  10.430  1.00 16.30           N
ATOM      0  H   HIS A  68       0.679   1.314   6.786  1.00  2.94           H   new
ATOM      0  HA  HIS A  68       1.750   3.908   6.276  1.00  4.17           H   new
ATOM      0  HB2 HIS A  68       3.070   1.597   7.846  1.00  5.57           H   new
ATOM      0  HB3 HIS A  68       3.445   3.301   8.013  1.00  5.57           H   new
ATOM      0  HD2 HIS A  68       1.035   4.754   9.196  1.00 12.79           H   new
ATOM      0  HE1 HIS A  68      -0.357   1.289  11.073  1.00 14.75           H   new
ATOM      0  HE2 HIS A  68      -0.633   3.818  10.988  1.00 16.30           H   new
ATOM   1096  N   LEU A  69       3.417   3.372   4.588  1.00  5.29           N
ATOM   1097  CA  LEU A  69       4.403   3.218   3.563  1.00  3.97           C
ATOM   1098  C   LEU A  69       5.780   3.661   3.919  1.00  5.07           C
ATOM   1099  O   LEU A  69       6.068   4.850   4.050  1.00  4.34           O
ATOM   1100  CB  LEU A  69       3.998   3.886   2.239  1.00  6.08           C
ATOM   1101  CG  LEU A  69       4.958   3.875   1.037  1.00  7.37           C
ATOM   1102  CD1 LEU A  69       5.547   2.473   0.809  1.00  9.96           C
ATOM   1103  CD2 LEU A  69       4.377   4.393  -0.289  1.00  6.87           C
ATOM      0  H   LEU A  69       2.972   4.289   4.559  1.00  5.29           H   new
ATOM      0  HA  LEU A  69       4.440   2.135   3.442  1.00  3.97           H   new
ATOM      0  HB2 LEU A  69       3.068   3.419   1.913  1.00  6.08           H   new
ATOM      0  HB3 LEU A  69       3.770   4.929   2.460  1.00  6.08           H   new
ATOM      0  HG  LEU A  69       5.733   4.586   1.324  1.00  7.37           H   new
ATOM      0 HD11 LEU A  69       6.221   2.496  -0.047  1.00  9.96           H   new
ATOM      0 HD12 LEU A  69       6.098   2.161   1.696  1.00  9.96           H   new
ATOM      0 HD13 LEU A  69       4.740   1.766   0.616  1.00  9.96           H   new
ATOM      0 HD21 LEU A  69       5.140   4.340  -1.066  1.00  6.87           H   new
ATOM      0 HD22 LEU A  69       3.523   3.780  -0.576  1.00  6.87           H   new
ATOM      0 HD23 LEU A  69       4.056   5.427  -0.166  1.00  6.87           H   new
ATOM   1115  N   VAL A  70       6.633   2.649   4.154  1.00  4.29           N
ATOM   1116  CA  VAL A  70       8.014   2.829   4.480  1.00  6.26           C
ATOM   1117  C   VAL A  70       8.685   2.349   3.240  1.00  9.22           C
ATOM   1118  O   VAL A  70       8.066   1.554   2.534  1.00  9.36           O
ATOM   1119  CB  VAL A  70       8.471   2.034   5.667  1.00  8.69           C
ATOM   1120  CG1 VAL A  70       9.647   2.700   6.401  1.00  9.76           C
ATOM   1121  CG2 VAL A  70       7.284   1.758   6.606  1.00  8.54           C
ATOM      0  H   VAL A  70       6.351   1.669   4.116  1.00  4.29           H   new
ATOM      0  HA  VAL A  70       8.235   3.858   4.763  1.00  6.26           H   new
ATOM      0  HB  VAL A  70       8.851   1.078   5.306  1.00  8.69           H   new
ATOM      0 HG11 VAL A  70       9.940   2.085   7.252  1.00  9.76           H   new
ATOM      0 HG12 VAL A  70      10.491   2.801   5.719  1.00  9.76           H   new
ATOM      0 HG13 VAL A  70       9.345   3.686   6.753  1.00  9.76           H   new
ATOM      0 HG21 VAL A  70       7.626   1.180   7.465  1.00  8.54           H   new
ATOM      0 HG22 VAL A  70       6.864   2.704   6.949  1.00  8.54           H   new
ATOM      0 HG23 VAL A  70       6.520   1.194   6.071  1.00  8.54           H   new
ATOM   1131  N   LEU A  71       9.970   2.682   3.020  1.00 12.71           N
ATOM   1132  CA  LEU A  71      10.844   2.148   2.023  1.00 16.06           C
ATOM   1133  C   LEU A  71      12.004   1.422   2.614  1.00 18.09           C
ATOM   1134  O   LEU A  71      12.514   1.908   3.622  1.00 19.26           O
ATOM   1135  CB  LEU A  71      11.323   3.224   1.034  1.00 17.10           C
ATOM   1136  CG  LEU A  71      10.482   3.589  -0.201  1.00 19.37           C
ATOM   1137  CD1 LEU A  71       9.106   4.186   0.138  1.00 19.57           C
ATOM   1138  CD2 LEU A  71      11.264   4.616  -1.038  1.00 17.51           C
ATOM      0  H   LEU A  71      10.436   3.387   3.591  1.00 12.71           H   new
ATOM      0  HA  LEU A  71      10.252   1.423   1.465  1.00 16.06           H   new
ATOM      0  HB2 LEU A  71      11.469   4.141   1.605  1.00 17.10           H   new
ATOM      0  HB3 LEU A  71      12.304   2.914   0.673  1.00 17.10           H   new
ATOM      0  HG  LEU A  71      10.300   2.662  -0.744  1.00 19.37           H   new
ATOM      0 HD11 LEU A  71       8.573   4.418  -0.784  1.00 19.57           H   new
ATOM      0 HD12 LEU A  71       8.530   3.466   0.719  1.00 19.57           H   new
ATOM      0 HD13 LEU A  71       9.238   5.098   0.719  1.00 19.57           H   new
ATOM      0 HD21 LEU A  71      10.682   4.886  -1.919  1.00 17.51           H   new
ATOM      0 HD22 LEU A  71      11.451   5.507  -0.439  1.00 17.51           H   new
ATOM      0 HD23 LEU A  71      12.214   4.183  -1.350  1.00 17.51           H   new