USER  MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=13
USER  MOD reduce.3.24.130724 removed 586 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD Set 1.1: A   7 THR OG1 :   rot  119:sc=    1.62
USER  MOD Set 1.2: A   9 THR OG1 :   rot  180:sc=   0.845
USER  MOD Single : A   1 MET CE  :methyl  180:sc=       0   (180deg=0)
USER  MOD Single : A   1 MET N   :NH3+    173:sc=    1.27   (180deg=1.18)
USER  MOD Single : A   2 GLN     :      amide:sc=       0  K(o=0,f=-1)
USER  MOD Single : A   6 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  11 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
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=  0.0803
USER  MOD Single : A  22 THR OG1 :   rot  180:sc=  0.0217
USER  MOD Single : A  25 ASN     :      amide:sc= -0.0342  X(o=-0.034,f=-0.4)
USER  MOD Single : A  27 LYS NZ  :NH3+    132:sc=     1.1   (180deg=0.945)
USER  MOD Single : A  29 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  31 GLN     :      amide:sc=       0  X(o=0,f=-0.31)
USER  MOD Single : A  33 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  40 GLN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A  41 GLN     :      amide:sc= -0.0526  X(o=-0.053,f=-0.063)
USER  MOD Single : A  48 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  49 GLN     :      amide:sc=  -0.039  X(o=-0.039,f=0)
USER  MOD Single : A  55 THR OG1 :   rot -170:sc= -0.0181
USER  MOD Single : A  57 SER OG  :   rot   58:sc= 0.00386
USER  MOD Single : A  59 TYR OH  :   rot   50:sc=    0.42
USER  MOD Single : A  60 ASN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A  62 GLN     :      amide:sc=-0.00673  X(o=-0.0067,f=-0.027)
USER  MOD Single : A  63 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  65 SER OG  :   rot -110:sc=   0.754
USER  MOD Single : A  66 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  68 HIS     :     no HD1:sc=       0  X(o=0,f=0)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   MET A   1     -12.450   4.752  -3.045  1.00  9.67           N
ATOM      2  CA  MET A   1     -12.089   5.285  -1.712  1.00 10.38           C
ATOM      3  C   MET A   1     -10.675   5.753  -1.684  1.00  9.62           C
ATOM      4  O   MET A   1      -9.879   5.288  -2.499  1.00  9.62           O
ATOM      5  CB  MET A   1     -12.317   4.234  -0.613  1.00 13.77           C
ATOM      6  CG  MET A   1     -11.550   2.935  -0.868  1.00 16.29           C
ATOM      7  SD  MET A   1     -11.752   1.898   0.612  1.00 17.17           S
ATOM      8  CE  MET A   1     -10.330   0.798   0.354  1.00 16.11           C
ATOM      0  H1  MET A   1     -13.398   4.326  -3.004  1.00  9.67           H   new
ATOM      0  H2  MET A   1     -12.448   5.525  -3.740  1.00  9.67           H   new
ATOM      0  H3  MET A   1     -11.758   4.030  -3.329  1.00  9.67           H   new
ATOM      0  HA  MET A   1     -12.740   6.137  -1.517  1.00 10.38           H   new
ATOM      0  HB2 MET A   1     -12.012   4.648   0.348  1.00 13.77           H   new
ATOM      0  HB3 MET A   1     -13.382   4.014  -0.542  1.00 13.77           H   new
ATOM      0  HG2 MET A   1     -11.937   2.426  -1.751  1.00 16.29           H   new
ATOM      0  HG3 MET A   1     -10.496   3.140  -1.054  1.00 16.29           H   new
ATOM      0  HE1 MET A   1     -10.277   0.075   1.168  1.00 16.11           H   new
ATOM      0  HE2 MET A   1     -10.445   0.270  -0.593  1.00 16.11           H   new
ATOM      0  HE3 MET A   1      -9.413   1.387   0.331  1.00 16.11           H   new
ATOM     20  N   GLN A   2     -10.228   6.619  -0.757  1.00  9.27           N
ATOM     21  CA  GLN A   2      -8.848   6.942  -0.567  1.00  9.07           C
ATOM     22  C   GLN A   2      -8.200   6.158   0.521  1.00  8.72           C
ATOM     23  O   GLN A   2      -8.796   5.957   1.578  1.00  8.22           O
ATOM     24  CB  GLN A   2      -8.776   8.437  -0.215  1.00 14.46           C
ATOM     25  CG  GLN A   2      -9.512   9.455  -1.089  1.00 17.01           C
ATOM     26  CD  GLN A   2      -9.170  10.900  -0.752  1.00 20.10           C
ATOM     27  OE1 GLN A   2      -8.417  11.161   0.185  1.00 21.89           O
ATOM     28  NE2 GLN A   2      -9.779  11.886  -1.463  1.00 19.49           N
ATOM      0  H   GLN A   2     -10.850   7.112  -0.117  1.00  9.27           H   new
ATOM      0  HA  GLN A   2      -8.312   6.698  -1.484  1.00  9.07           H   new
ATOM      0  HB2 GLN A   2      -9.149   8.551   0.803  1.00 14.46           H   new
ATOM      0  HB3 GLN A   2      -7.723   8.719  -0.202  1.00 14.46           H   new
ATOM      0  HG2 GLN A   2      -9.271   9.267  -2.135  1.00 17.01           H   new
ATOM      0  HG3 GLN A   2     -10.586   9.308  -0.978  1.00 17.01           H   new
ATOM      0 HE21 GLN A   2     -10.400  11.648  -2.236  1.00 19.49           H   new
ATOM      0 HE22 GLN A   2      -9.615  12.864  -1.223  1.00 19.49           H   new
ATOM     37  N   ILE A   3      -6.954   5.700   0.305  1.00  5.87           N
ATOM     38  CA  ILE A   3      -6.042   5.182   1.277  1.00  5.07           C
ATOM     39  C   ILE A   3      -4.905   6.145   1.300  1.00  4.01           C
ATOM     40  O   ILE A   3      -4.667   6.912   0.369  1.00  4.61           O
ATOM     41  CB  ILE A   3      -5.532   3.795   1.022  1.00  6.55           C
ATOM     42  CG1 ILE A   3      -4.905   3.500  -0.351  1.00  4.72           C
ATOM     43  CG2 ILE A   3      -6.680   2.796   1.245  1.00  5.58           C
ATOM     44  CD1 ILE A   3      -4.356   2.087  -0.540  1.00 10.83           C
ATOM      0  H   ILE A   3      -6.552   5.692  -0.632  1.00  5.87           H   new
ATOM      0  HA  ILE A   3      -6.571   5.087   2.225  1.00  5.07           H   new
ATOM      0  HB  ILE A   3      -4.706   3.693   1.725  1.00  6.55           H   new
ATOM      0 HG12 ILE A   3      -5.656   3.684  -1.120  1.00  4.72           H   new
ATOM      0 HG13 ILE A   3      -4.095   4.210  -0.520  1.00  4.72           H   new
ATOM      0 HG21 ILE A   3      -6.321   1.783   1.062  1.00  5.58           H   new
ATOM      0 HG22 ILE A   3      -7.037   2.875   2.272  1.00  5.58           H   new
ATOM      0 HG23 ILE A   3      -7.497   3.021   0.559  1.00  5.58           H   new
ATOM      0 HD11 ILE A   3      -3.938   1.990  -1.542  1.00 10.83           H   new
ATOM      0 HD12 ILE A   3      -3.576   1.898   0.198  1.00 10.83           H   new
ATOM      0 HD13 ILE A   3      -5.161   1.364  -0.411  1.00 10.83           H   new
ATOM     56  N   PHE A   4      -4.186   6.226   2.435  1.00  4.55           N
ATOM     57  CA  PHE A   4      -3.104   7.132   2.661  1.00  4.68           C
ATOM     58  C   PHE A   4      -1.863   6.315   2.777  1.00  5.30           C
ATOM     59  O   PHE A   4      -1.739   5.572   3.750  1.00  5.58           O
ATOM     60  CB  PHE A   4      -3.134   8.057   3.890  1.00  4.83           C
ATOM     61  CG  PHE A   4      -4.351   8.917   3.872  1.00  7.97           C
ATOM     62  CD1 PHE A   4      -4.700   9.723   2.814  1.00  8.34           C
ATOM     63  CD2 PHE A   4      -5.128   9.002   5.003  1.00  6.69           C
ATOM     64  CE1 PHE A   4      -5.816  10.522   2.891  1.00 10.61           C
ATOM     65  CE2 PHE A   4      -6.220   9.835   5.060  1.00  9.10           C
ATOM     66  CZ  PHE A   4      -6.633  10.600   3.994  1.00  8.90           C
ATOM      0  H   PHE A   4      -4.371   5.625   3.238  1.00  4.55           H   new
ATOM      0  HA  PHE A   4      -3.170   7.816   1.815  1.00  4.68           H   new
ATOM      0  HB2 PHE A   4      -3.118   7.460   4.802  1.00  4.83           H   new
ATOM      0  HB3 PHE A   4      -2.241   8.682   3.903  1.00  4.83           H   new
ATOM      0  HD1 PHE A   4      -4.095   9.728   1.919  1.00  8.34           H   new
ATOM      0  HD2 PHE A   4      -4.875   8.402   5.865  1.00  6.69           H   new
ATOM      0  HE1 PHE A   4      -6.067  11.126   2.032  1.00 10.61           H   new
ATOM      0  HE2 PHE A   4      -6.778   9.891   5.983  1.00  9.10           H   new
ATOM      0  HZ  PHE A   4      -7.524  11.210   4.021  1.00  8.90           H   new
ATOM     76  N   VAL A   5      -0.889   6.418   1.856  1.00  4.44           N
ATOM     77  CA  VAL A   5       0.343   5.695   1.938  1.00  3.87           C
ATOM     78  C   VAL A   5       1.368   6.699   2.339  1.00  4.93           C
ATOM     79  O   VAL A   5       1.671   7.544   1.498  1.00  6.84           O
ATOM     80  CB  VAL A   5       0.805   5.000   0.692  1.00  2.99           C
ATOM     81  CG1 VAL A   5       2.090   4.174   0.871  1.00  5.28           C
ATOM     82  CG2 VAL A   5      -0.356   4.121   0.199  1.00  9.13           C
ATOM      0  H   VAL A   5      -0.959   7.018   1.034  1.00  4.44           H   new
ATOM      0  HA  VAL A   5       0.189   4.879   2.644  1.00  3.87           H   new
ATOM      0  HB  VAL A   5       1.073   5.758  -0.044  1.00  2.99           H   new
ATOM      0 HG11 VAL A   5       2.356   3.704  -0.076  1.00  5.28           H   new
ATOM      0 HG12 VAL A   5       2.901   4.828   1.192  1.00  5.28           H   new
ATOM      0 HG13 VAL A   5       1.925   3.404   1.624  1.00  5.28           H   new
ATOM      0 HG21 VAL A   5      -0.056   3.598  -0.709  1.00  9.13           H   new
ATOM      0 HG22 VAL A   5      -0.614   3.393   0.969  1.00  9.13           H   new
ATOM      0 HG23 VAL A   5      -1.222   4.748  -0.013  1.00  9.13           H   new
ATOM     92  N   LYS A   6       1.827   6.668   3.603  1.00  6.04           N
ATOM     93  CA  LYS A   6       2.692   7.695   4.093  1.00  6.12           C
ATOM     94  C   LYS A   6       4.047   7.078   4.033  1.00  6.57           C
ATOM     95  O   LYS A   6       4.191   5.874   4.240  1.00  5.76           O
ATOM     96  CB  LYS A   6       2.298   8.130   5.515  1.00  7.45           C
ATOM     97  CG  LYS A   6       0.903   8.758   5.525  1.00 11.12           C
ATOM     98  CD  LYS A   6       0.474   9.202   6.925  1.00 14.54           C
ATOM     99  CE  LYS A   6      -0.772  10.087   6.990  1.00 18.84           C
ATOM    100  NZ  LYS A   6      -1.124  10.674   8.302  1.00 20.55           N
ATOM      0  H   LYS A   6       1.602   5.939   4.280  1.00  6.04           H   new
ATOM      0  HA  LYS A   6       2.640   8.613   3.508  1.00  6.12           H   new
ATOM      0  HB2 LYS A   6       2.318   7.268   6.182  1.00  7.45           H   new
ATOM      0  HB3 LYS A   6       3.027   8.846   5.896  1.00  7.45           H   new
ATOM      0  HG2 LYS A   6       0.889   9.617   4.854  1.00 11.12           H   new
ATOM      0  HG3 LYS A   6       0.181   8.039   5.137  1.00 11.12           H   new
ATOM      0  HD2 LYS A   6       0.297   8.312   7.529  1.00 14.54           H   new
ATOM      0  HD3 LYS A   6       1.303   9.740   7.385  1.00 14.54           H   new
ATOM      0  HE2 LYS A   6      -0.642  10.904   6.280  1.00 18.84           H   new
ATOM      0  HE3 LYS A   6      -1.622   9.498   6.646  1.00 18.84           H   new
ATOM      0  HZ1 LYS A   6      -1.985  11.249   8.205  1.00 20.55           H   new
ATOM      0  HZ2 LYS A   6      -1.292   9.912   8.990  1.00 20.55           H   new
ATOM      0  HZ3 LYS A   6      -0.343  11.274   8.635  1.00 20.55           H   new
ATOM    114  N   THR A   7       5.109   7.889   3.878  1.00  7.41           N
ATOM    115  CA  THR A   7       6.453   7.402   3.843  1.00  7.48           C
ATOM    116  C   THR A   7       7.097   7.529   5.181  1.00  8.75           C
ATOM    117  O   THR A   7       6.552   8.231   6.032  1.00  8.58           O
ATOM    118  CB  THR A   7       7.266   8.141   2.823  1.00  9.61           C
ATOM    119  OG1 THR A   7       7.392   9.515   3.157  1.00 11.78           O
ATOM    120  CG2 THR A   7       6.613   8.051   1.433  1.00  9.17           C
ATOM      0  H   THR A   7       5.033   8.901   3.775  1.00  7.41           H   new
ATOM      0  HA  THR A   7       6.413   6.349   3.566  1.00  7.48           H   new
ATOM      0  HB  THR A   7       8.251   7.674   2.809  1.00  9.61           H   new
ATOM      0  HG1 THR A   7       8.339   9.736   3.279  1.00 11.78           H   new
ATOM      0 HG21 THR A   7       7.221   8.595   0.710  1.00  9.17           H   new
ATOM      0 HG22 THR A   7       6.539   7.006   1.133  1.00  9.17           H   new
ATOM      0 HG23 THR A   7       5.615   8.489   1.471  1.00  9.17           H   new
ATOM    128  N   LEU A   8       8.305   6.952   5.303  1.00  9.84           N
ATOM    129  CA  LEU A   8       9.174   7.126   6.425  1.00 14.15           C
ATOM    130  C   LEU A   8       9.353   8.522   6.915  1.00 17.37           C
ATOM    131  O   LEU A   8       9.154   8.873   8.076  1.00 17.01           O
ATOM    132  CB  LEU A   8      10.549   6.472   6.210  1.00 16.63           C
ATOM    133  CG  LEU A   8      11.581   6.546   7.348  1.00 18.88           C
ATOM    134  CD1 LEU A   8      11.057   5.857   8.620  1.00 18.59           C
ATOM    135  CD2 LEU A   8      12.971   6.016   6.958  1.00 19.31           C
ATOM      0  H   LEU A   8       8.693   6.337   4.588  1.00  9.84           H   new
ATOM      0  HA  LEU A   8       8.633   6.608   7.217  1.00 14.15           H   new
ATOM      0  HB2 LEU A   8      10.384   5.419   5.980  1.00 16.63           H   new
ATOM      0  HB3 LEU A   8      10.997   6.925   5.326  1.00 16.63           H   new
ATOM      0  HG  LEU A   8      11.717   7.607   7.558  1.00 18.88           H   new
ATOM      0 HD11 LEU A   8      11.808   5.926   9.407  1.00 18.59           H   new
ATOM      0 HD12 LEU A   8      10.141   6.348   8.949  1.00 18.59           H   new
ATOM      0 HD13 LEU A   8      10.850   4.808   8.407  1.00 18.59           H   new
ATOM      0 HD21 LEU A   8      13.645   6.100   7.811  1.00 19.31           H   new
ATOM      0 HD22 LEU A   8      12.891   4.970   6.660  1.00 19.31           H   new
ATOM      0 HD23 LEU A   8      13.363   6.601   6.126  1.00 19.31           H   new
ATOM    147  N   THR A   9       9.807   9.391   5.995  1.00 18.33           N
ATOM    148  CA  THR A   9      10.016  10.805   6.047  1.00 19.24           C
ATOM    149  C   THR A   9       8.768  11.521   6.432  1.00 19.48           C
ATOM    150  O   THR A   9       8.855  12.482   7.196  1.00 23.14           O
ATOM    151  CB  THR A   9      10.451  11.321   4.707  1.00 18.97           C
ATOM    152  OG1 THR A   9      10.010  10.560   3.592  1.00 20.24           O
ATOM    153  CG2 THR A   9      11.986  11.251   4.645  1.00 19.70           C
ATOM      0  H   THR A   9      10.066   9.040   5.073  1.00 18.33           H   new
ATOM      0  HA  THR A   9      10.789  10.988   6.794  1.00 19.24           H   new
ATOM      0  HB  THR A   9      10.022  12.320   4.634  1.00 18.97           H   new
ATOM      0  HG1 THR A   9      10.339  10.971   2.765  1.00 20.24           H   new
ATOM      0 HG21 THR A   9      12.328  11.621   3.679  1.00 19.70           H   new
ATOM      0 HG22 THR A   9      12.411  11.864   5.440  1.00 19.70           H   new
ATOM      0 HG23 THR A   9      12.309  10.218   4.773  1.00 19.70           H   new
ATOM    161  N   GLY A  10       7.599  11.141   5.885  1.00 19.43           N
ATOM    162  CA  GLY A  10       6.288  11.594   6.231  1.00 18.74           C
ATOM    163  C   GLY A  10       5.721  12.392   5.108  1.00 17.62           C
ATOM    164  O   GLY A  10       5.309  13.550   5.161  1.00 19.74           O
ATOM      0  H   GLY A  10       7.572  10.454   5.132  1.00 19.43           H   new
ATOM      0  HA2 GLY A  10       5.643  10.742   6.447  1.00 18.74           H   new
ATOM      0  HA3 GLY A  10       6.329  12.200   7.136  1.00 18.74           H   new
ATOM    168  N   LYS A  11       5.693  11.738   3.933  1.00 13.56           N
ATOM    169  CA  LYS A  11       5.078  12.344   2.793  1.00 11.91           C
ATOM    170  C   LYS A  11       3.895  11.519   2.421  1.00 10.18           C
ATOM    171  O   LYS A  11       3.901  10.289   2.396  1.00  9.10           O
ATOM    172  CB  LYS A  11       6.113  12.359   1.655  1.00 13.43           C
ATOM    173  CG  LYS A  11       7.504  12.911   1.974  1.00 16.69           C
ATOM    174  CD  LYS A  11       8.395  12.876   0.731  1.00 17.92           C
ATOM    175  CE  LYS A  11       7.938  13.611  -0.531  1.00 20.81           C
ATOM    176  NZ  LYS A  11       8.749  13.232  -1.709  1.00 21.93           N
ATOM      0  H   LYS A  11       6.086  10.811   3.773  1.00 13.56           H   new
ATOM      0  HA  LYS A  11       4.753  13.364   2.996  1.00 11.91           H   new
ATOM      0  HB2 LYS A  11       6.231  11.337   1.294  1.00 13.43           H   new
ATOM      0  HB3 LYS A  11       5.700  12.942   0.832  1.00 13.43           H   new
ATOM      0  HG2 LYS A  11       7.420  13.935   2.339  1.00 16.69           H   new
ATOM      0  HG3 LYS A  11       7.960  12.324   2.772  1.00 16.69           H   new
ATOM      0  HD2 LYS A  11       9.368  13.279   1.012  1.00 17.92           H   new
ATOM      0  HD3 LYS A  11       8.548  11.830   0.465  1.00 17.92           H   new
ATOM      0  HE2 LYS A  11       6.889  13.386  -0.724  1.00 20.81           H   new
ATOM      0  HE3 LYS A  11       8.009  14.687  -0.371  1.00 20.81           H   new
ATOM      0  HZ1 LYS A  11       8.410  13.750  -2.545  1.00 21.93           H   new
ATOM      0  HZ2 LYS A  11       9.746  13.470  -1.535  1.00 21.93           H   new
ATOM      0  HZ3 LYS A  11       8.661  12.209  -1.876  1.00 21.93           H   new
ATOM    190  N   THR A  12       2.739  12.135   2.114  1.00  9.63           N
ATOM    191  CA  THR A  12       1.527  11.377   2.082  1.00  9.85           C
ATOM    192  C   THR A  12       0.948  11.079   0.742  1.00 11.66           C
ATOM    193  O   THR A  12       0.652  11.982  -0.039  1.00 12.33           O
ATOM    194  CB  THR A  12       0.418  12.070   2.815  1.00 10.85           C
ATOM    195  OG1 THR A  12       0.924  12.453   4.086  1.00 10.91           O
ATOM    196  CG2 THR A  12      -0.875  11.256   2.993  1.00  9.63           C
ATOM      0  H   THR A  12       2.643  13.126   1.894  1.00  9.63           H   new
ATOM      0  HA  THR A  12       1.858  10.444   2.539  1.00  9.85           H   new
ATOM      0  HB  THR A  12       0.118  12.919   2.201  1.00 10.85           H   new
ATOM      0  HG1 THR A  12       0.222  12.912   4.593  1.00 10.91           H   new
ATOM      0 HG21 THR A  12      -1.609  11.852   3.535  1.00  9.63           H   new
ATOM      0 HG22 THR A  12      -1.275  10.990   2.015  1.00  9.63           H   new
ATOM      0 HG23 THR A  12      -0.659  10.348   3.555  1.00  9.63           H   new
ATOM    204  N   ILE A  13       0.795   9.801   0.351  1.00 10.42           N
ATOM    205  CA  ILE A  13       0.396   9.395  -0.960  1.00 11.84           C
ATOM    206  C   ILE A  13      -1.028   8.954  -0.980  1.00 10.55           C
ATOM    207  O   ILE A  13      -1.287   7.836  -0.539  1.00 11.92           O
ATOM    208  CB  ILE A  13       1.356   8.440  -1.606  1.00 14.86           C
ATOM    209  CG1 ILE A  13       2.825   8.889  -1.542  1.00 14.87           C
ATOM    210  CG2 ILE A  13       0.994   8.262  -3.090  1.00 17.08           C
ATOM    211  CD1 ILE A  13       3.755   7.709  -1.821  1.00 16.46           C
ATOM      0  H   ILE A  13       0.957   9.014   0.979  1.00 10.42           H   new
ATOM      0  HA  ILE A  13       0.445  10.274  -1.602  1.00 11.84           H   new
ATOM      0  HB  ILE A  13       1.264   7.511  -1.043  1.00 14.86           H   new
ATOM      0 HG12 ILE A  13       3.002   9.680  -2.271  1.00 14.87           H   new
ATOM      0 HG13 ILE A  13       3.042   9.307  -0.559  1.00 14.87           H   new
ATOM      0 HG21 ILE A  13       1.694   7.568  -3.555  1.00 17.08           H   new
ATOM      0 HG22 ILE A  13      -0.018   7.866  -3.173  1.00 17.08           H   new
ATOM      0 HG23 ILE A  13       1.049   9.226  -3.596  1.00 17.08           H   new
ATOM      0 HD11 ILE A  13       4.791   8.043  -1.772  1.00 16.46           H   new
ATOM      0 HD12 ILE A  13       3.589   6.931  -1.076  1.00 16.46           H   new
ATOM      0 HD13 ILE A  13       3.549   7.310  -2.814  1.00 16.46           H   new
ATOM    223  N   THR A  14      -1.980   9.768  -1.469  1.00  9.39           N
ATOM    224  CA  THR A  14      -3.385   9.501  -1.488  1.00  9.63           C
ATOM    225  C   THR A  14      -3.654   8.695  -2.712  1.00 11.20           C
ATOM    226  O   THR A  14      -3.472   9.142  -3.843  1.00 11.63           O
ATOM    227  CB  THR A  14      -4.094  10.820  -1.407  1.00 10.38           C
ATOM    228  OG1 THR A  14      -3.649  11.605  -0.310  1.00 16.30           O
ATOM    229  CG2 THR A  14      -5.595  10.577  -1.171  1.00 11.66           C
ATOM      0  H   THR A  14      -1.752  10.674  -1.879  1.00  9.39           H   new
ATOM      0  HA  THR A  14      -3.752   8.914  -0.646  1.00  9.63           H   new
ATOM      0  HB  THR A  14      -3.891  11.341  -2.343  1.00 10.38           H   new
ATOM      0  HG1 THR A  14      -4.136  12.455  -0.297  1.00 16.30           H   new
ATOM      0 HG21 THR A  14      -6.114  11.534  -1.112  1.00 11.66           H   new
ATOM      0 HG22 THR A  14      -6.003   9.994  -1.996  1.00 11.66           H   new
ATOM      0 HG23 THR A  14      -5.733  10.031  -0.238  1.00 11.66           H   new
ATOM    237  N   LEU A  15      -4.155   7.453  -2.583  1.00  8.29           N
ATOM    238  CA  LEU A  15      -4.359   6.501  -3.630  1.00  9.03           C
ATOM    239  C   LEU A  15      -5.827   6.269  -3.726  1.00  8.59           C
ATOM    240  O   LEU A  15      -6.492   5.969  -2.735  1.00  7.79           O
ATOM    241  CB  LEU A  15      -3.564   5.189  -3.522  1.00 11.08           C
ATOM    242  CG  LEU A  15      -2.040   5.382  -3.442  1.00 15.79           C
ATOM    243  CD1 LEU A  15      -1.428   4.012  -3.105  1.00 15.27           C
ATOM    244  CD2 LEU A  15      -1.431   5.962  -4.730  1.00 15.88           C
ATOM      0  H   LEU A  15      -4.439   7.088  -1.674  1.00  8.29           H   new
ATOM      0  HA  LEU A  15      -3.954   6.927  -4.548  1.00  9.03           H   new
ATOM      0  HB2 LEU A  15      -3.898   4.647  -2.637  1.00 11.08           H   new
ATOM      0  HB3 LEU A  15      -3.795   4.565  -4.385  1.00 11.08           H   new
ATOM      0  HG  LEU A  15      -1.813   6.118  -2.671  1.00 15.79           H   new
ATOM      0 HD11 LEU A  15      -0.344   4.104  -3.039  1.00 15.27           H   new
ATOM      0 HD12 LEU A  15      -1.822   3.663  -2.151  1.00 15.27           H   new
ATOM      0 HD13 LEU A  15      -1.684   3.297  -3.887  1.00 15.27           H   new
ATOM      0 HD21 LEU A  15      -0.354   6.073  -4.605  1.00 15.88           H   new
ATOM      0 HD22 LEU A  15      -1.633   5.289  -5.563  1.00 15.88           H   new
ATOM      0 HD23 LEU A  15      -1.874   6.936  -4.935  1.00 15.88           H   new
ATOM    256  N   GLU A  16      -6.399   6.326  -4.942  1.00 11.04           N
ATOM    257  CA  GLU A  16      -7.795   6.119  -5.172  1.00 11.50           C
ATOM    258  C   GLU A  16      -8.175   4.767  -5.669  1.00 10.13           C
ATOM    259  O   GLU A  16      -8.434   4.555  -6.853  1.00  9.83           O
ATOM    260  CB  GLU A  16      -8.393   7.143  -6.152  1.00 17.22           C
ATOM    261  CG  GLU A  16      -8.006   8.570  -5.760  1.00 23.33           C
ATOM    262  CD  GLU A  16      -8.732   9.555  -6.666  1.00 26.99           C
ATOM    263  OE1 GLU A  16      -9.880   9.912  -6.289  1.00 28.86           O
ATOM    264  OE2 GLU A  16      -8.189  10.144  -7.638  1.00 28.90           O
ATOM      0  H   GLU A  16      -5.872   6.523  -5.793  1.00 11.04           H   new
ATOM      0  HA  GLU A  16      -8.206   6.239  -4.170  1.00 11.50           H   new
ATOM      0  HB2 GLU A  16      -8.042   6.932  -7.162  1.00 17.22           H   new
ATOM      0  HB3 GLU A  16      -9.479   7.048  -6.165  1.00 17.22           H   new
ATOM      0  HG2 GLU A  16      -8.266   8.757  -4.718  1.00 23.33           H   new
ATOM      0  HG3 GLU A  16      -6.928   8.704  -5.848  1.00 23.33           H   new
ATOM    271  N   VAL A  17      -8.478   3.854  -4.729  1.00  8.99           N
ATOM    272  CA  VAL A  17      -8.697   2.463  -4.975  1.00  8.85           C
ATOM    273  C   VAL A  17     -10.047   2.018  -4.529  1.00  8.04           C
ATOM    274  O   VAL A  17     -10.837   2.611  -3.796  1.00  8.99           O
ATOM    275  CB  VAL A  17      -7.605   1.636  -4.365  1.00  9.78           C
ATOM    276  CG1 VAL A  17      -6.202   2.038  -4.850  1.00 12.05           C
ATOM    277  CG2 VAL A  17      -7.649   1.733  -2.830  1.00 10.54           C
ATOM      0  H   VAL A  17      -8.575   4.101  -3.744  1.00  8.99           H   new
ATOM      0  HA  VAL A  17      -8.667   2.312  -6.054  1.00  8.85           H   new
ATOM      0  HB  VAL A  17      -7.787   0.611  -4.687  1.00  9.78           H   new
ATOM      0 HG11 VAL A  17      -5.456   1.403  -4.372  1.00 12.05           H   new
ATOM      0 HG12 VAL A  17      -6.142   1.917  -5.932  1.00 12.05           H   new
ATOM      0 HG13 VAL A  17      -6.012   3.079  -4.590  1.00 12.05           H   new
ATOM      0 HG21 VAL A  17      -6.850   1.127  -2.404  1.00 10.54           H   new
ATOM      0 HG22 VAL A  17      -7.517   2.772  -2.527  1.00 10.54           H   new
ATOM      0 HG23 VAL A  17      -8.611   1.369  -2.470  1.00 10.54           H   new
ATOM    287  N   GLU A  18     -10.410   0.831  -5.047  1.00  7.29           N
ATOM    288  CA  GLU A  18     -11.531   0.070  -4.590  1.00  7.08           C
ATOM    289  C   GLU A  18     -11.012  -0.866  -3.553  1.00  6.45           C
ATOM    290  O   GLU A  18      -9.856  -1.279  -3.619  1.00  5.28           O
ATOM    291  CB  GLU A  18     -12.337  -0.631  -5.696  1.00 10.28           C
ATOM    292  CG  GLU A  18     -12.714   0.252  -6.888  1.00 12.65           C
ATOM    293  CD  GLU A  18     -13.836   1.267  -6.717  1.00 14.15           C
ATOM    294  OE1 GLU A  18     -14.654   1.235  -5.760  1.00 14.33           O
ATOM    295  OE2 GLU A  18     -13.950   2.129  -7.629  1.00 18.17           O
ATOM      0  H   GLU A  18      -9.904   0.385  -5.812  1.00  7.29           H   new
ATOM      0  HA  GLU A  18     -12.276   0.746  -4.170  1.00  7.08           H   new
ATOM      0  HB2 GLU A  18     -11.759  -1.480  -6.062  1.00 10.28           H   new
ATOM      0  HB3 GLU A  18     -13.251  -1.032  -5.258  1.00 10.28           H   new
ATOM      0  HG2 GLU A  18     -11.820   0.795  -7.193  1.00 12.65           H   new
ATOM      0  HG3 GLU A  18     -12.985  -0.405  -7.714  1.00 12.65           H   new
ATOM    302  N   PRO A  19     -11.732  -1.411  -2.618  1.00  7.24           N
ATOM    303  CA  PRO A  19     -11.181  -2.358  -1.692  1.00  7.07           C
ATOM    304  C   PRO A  19     -11.009  -3.697  -2.322  1.00  6.65           C
ATOM    305  O   PRO A  19     -10.417  -4.592  -1.721  1.00  6.37           O
ATOM    306  CB  PRO A  19     -12.235  -2.485  -0.594  1.00  7.61           C
ATOM    307  CG  PRO A  19     -13.300  -1.416  -0.886  1.00  8.16           C
ATOM    308  CD  PRO A  19     -13.163  -1.254  -2.408  1.00  7.49           C
ATOM      0  HA  PRO A  19     -10.204  -2.030  -1.336  1.00  7.07           H   new
ATOM      0  HB2 PRO A  19     -12.676  -3.482  -0.593  1.00  7.61           H   new
ATOM      0  HB3 PRO A  19     -11.791  -2.332   0.390  1.00  7.61           H   new
ATOM      0  HG2 PRO A  19     -14.299  -1.742  -0.597  1.00  8.16           H   new
ATOM      0  HG3 PRO A  19     -13.103  -0.485  -0.355  1.00  8.16           H   new
ATOM      0  HD2 PRO A  19     -13.737  -2.007  -2.949  1.00  7.49           H   new
ATOM      0  HD3 PRO A  19     -13.517  -0.280  -2.745  1.00  7.49           H   new
ATOM    316  N   SER A  20     -11.419  -3.926  -3.582  1.00  6.80           N
ATOM    317  CA  SER A  20     -11.183  -5.168  -4.253  1.00  6.28           C
ATOM    318  C   SER A  20      -9.860  -5.162  -4.938  1.00  8.45           C
ATOM    319  O   SER A  20      -9.459  -6.173  -5.511  1.00  7.26           O
ATOM    320  CB  SER A  20     -12.345  -5.476  -5.212  1.00  8.57           C
ATOM    321  OG  SER A  20     -12.735  -4.270  -5.852  1.00 11.13           O
ATOM      0  H   SER A  20     -11.922  -3.239  -4.144  1.00  6.80           H   new
ATOM      0  HA  SER A  20     -11.144  -5.972  -3.518  1.00  6.28           H   new
ATOM      0  HB2 SER A  20     -12.039  -6.215  -5.952  1.00  8.57           H   new
ATOM      0  HB3 SER A  20     -13.185  -5.902  -4.664  1.00  8.57           H   new
ATOM      0  HG  SER A  20     -13.475  -4.451  -6.469  1.00 11.13           H   new
ATOM    327  N   ASP A  21      -9.215  -3.981  -4.945  1.00  7.50           N
ATOM    328  CA  ASP A  21      -7.904  -3.762  -5.473  1.00  7.70           C
ATOM    329  C   ASP A  21      -6.900  -4.453  -4.616  1.00  7.08           C
ATOM    330  O   ASP A  21      -7.096  -4.545  -3.405  1.00  8.11           O
ATOM    331  CB  ASP A  21      -7.542  -2.271  -5.576  1.00 11.00           C
ATOM    332  CG  ASP A  21      -8.389  -1.650  -6.677  1.00 15.32           C
ATOM    333  OD1 ASP A  21      -8.916  -2.360  -7.576  1.00 14.36           O
ATOM    334  OD2 ASP A  21      -8.448  -0.391  -6.668  1.00 18.03           O
ATOM      0  H   ASP A  21      -9.632  -3.133  -4.561  1.00  7.50           H   new
ATOM      0  HA  ASP A  21      -7.895  -4.169  -6.484  1.00  7.70           H   new
ATOM      0  HB2 ASP A  21      -7.726  -1.769  -4.626  1.00 11.00           H   new
ATOM      0  HB3 ASP A  21      -6.482  -2.152  -5.799  1.00 11.00           H   new
ATOM    339  N   THR A  22      -5.943  -5.090  -5.315  1.00  5.37           N
ATOM    340  CA  THR A  22      -4.923  -5.951  -4.803  1.00  6.01           C
ATOM    341  C   THR A  22      -3.764  -5.126  -4.361  1.00  8.01           C
ATOM    342  O   THR A  22      -3.633  -3.951  -4.698  1.00  8.11           O
ATOM    343  CB  THR A  22      -4.392  -6.964  -5.773  1.00  8.92           C
ATOM    344  OG1 THR A  22      -4.241  -6.330  -7.035  1.00 10.22           O
ATOM    345  CG2 THR A  22      -5.496  -8.001  -6.043  1.00  9.65           C
ATOM      0  H   THR A  22      -5.880  -4.992  -6.328  1.00  5.37           H   new
ATOM      0  HA  THR A  22      -5.402  -6.501  -3.993  1.00  6.01           H   new
ATOM      0  HB  THR A  22      -3.471  -7.391  -5.375  1.00  8.92           H   new
ATOM      0  HG1 THR A  22      -3.893  -6.975  -7.685  1.00 10.22           H   new
ATOM      0 HG21 THR A  22      -5.129  -8.748  -6.747  1.00  9.65           H   new
ATOM      0 HG22 THR A  22      -5.773  -8.489  -5.109  1.00  9.65           H   new
ATOM      0 HG23 THR A  22      -6.369  -7.502  -6.465  1.00  9.65           H   new
ATOM    353  N   ILE A  23      -2.788  -5.593  -3.562  1.00  8.32           N
ATOM    354  CA  ILE A  23      -1.615  -4.921  -3.096  1.00  9.92           C
ATOM    355  C   ILE A  23      -0.741  -4.539  -4.241  1.00 10.01           C
ATOM    356  O   ILE A  23      -0.055  -3.519  -4.190  1.00  8.71           O
ATOM    357  CB  ILE A  23      -0.876  -5.757  -2.093  1.00 10.78           C
ATOM    358  CG1 ILE A  23      -1.874  -6.214  -1.015  1.00 11.38           C
ATOM    359  CG2 ILE A  23       0.305  -5.009  -1.451  1.00 10.90           C
ATOM    360  CD1 ILE A  23      -2.557  -5.097  -0.227  1.00 12.30           C
ATOM      0  H   ILE A  23      -2.829  -6.548  -3.205  1.00  8.32           H   new
ATOM      0  HA  ILE A  23      -1.922  -4.006  -2.590  1.00  9.92           H   new
ATOM      0  HB  ILE A  23      -0.447  -6.615  -2.610  1.00 10.78           H   new
ATOM      0 HG12 ILE A  23      -2.644  -6.820  -1.493  1.00 11.38           H   new
ATOM      0 HG13 ILE A  23      -1.350  -6.861  -0.312  1.00 11.38           H   new
ATOM      0 HG21 ILE A  23       0.803  -5.662  -0.734  1.00 10.90           H   new
ATOM      0 HG22 ILE A  23       1.013  -4.714  -2.225  1.00 10.90           H   new
ATOM      0 HG23 ILE A  23      -0.063  -4.120  -0.938  1.00 10.90           H   new
ATOM      0 HD11 ILE A  23      -3.238  -5.532   0.504  1.00 12.30           H   new
ATOM      0 HD12 ILE A  23      -1.803  -4.502   0.288  1.00 12.30           H   new
ATOM      0 HD13 ILE A  23      -3.118  -4.460  -0.911  1.00 12.30           H   new
ATOM    372  N   GLU A  24      -0.664  -5.420  -5.254  1.00  9.54           N
ATOM    373  CA  GLU A  24      -0.071  -5.193  -6.535  1.00 11.81           C
ATOM    374  C   GLU A  24      -0.552  -3.981  -7.257  1.00 11.14           C
ATOM    375  O   GLU A  24       0.217  -3.054  -7.505  1.00 10.62           O
ATOM    376  CB  GLU A  24      -0.193  -6.566  -7.217  1.00 19.24           C
ATOM    377  CG  GLU A  24       0.810  -6.728  -8.360  1.00 27.76           C
ATOM    378  CD  GLU A  24       0.546  -8.011  -9.136  1.00 32.92           C
ATOM    379  OE1 GLU A  24      -0.627  -8.324  -9.474  1.00 34.80           O
ATOM    380  OE2 GLU A  24       1.483  -8.841  -9.277  1.00 36.51           O
ATOM      0  H   GLU A  24      -1.046  -6.362  -5.170  1.00  9.54           H   new
ATOM      0  HA  GLU A  24       0.975  -4.888  -6.494  1.00 11.81           H   new
ATOM      0  HB2 GLU A  24      -0.033  -7.353  -6.480  1.00 19.24           H   new
ATOM      0  HB3 GLU A  24      -1.205  -6.691  -7.602  1.00 19.24           H   new
ATOM      0  HG2 GLU A  24       0.744  -5.872  -9.031  1.00 27.76           H   new
ATOM      0  HG3 GLU A  24       1.824  -6.742  -7.960  1.00 27.76           H   new
ATOM    387  N   ASN A  25      -1.880  -3.863  -7.434  1.00  9.43           N
ATOM    388  CA  ASN A  25      -2.572  -2.713  -7.929  1.00 10.96           C
ATOM    389  C   ASN A  25      -2.280  -1.485  -7.137  1.00  9.68           C
ATOM    390  O   ASN A  25      -1.948  -0.454  -7.720  1.00  9.33           O
ATOM    391  CB  ASN A  25      -4.058  -3.008  -8.193  1.00 16.78           C
ATOM    392  CG  ASN A  25      -4.601  -1.863  -9.036  1.00 22.31           C
ATOM    393  OD1 ASN A  25      -4.864  -0.720  -8.663  1.00 25.66           O
ATOM    394  ND2 ASN A  25      -4.843  -2.267 -10.312  1.00 24.70           N
ATOM      0  H   ASN A  25      -2.517  -4.629  -7.214  1.00  9.43           H   new
ATOM      0  HA  ASN A  25      -2.172  -2.473  -8.914  1.00 10.96           H   new
ATOM      0  HB2 ASN A  25      -4.175  -3.958  -8.714  1.00 16.78           H   new
ATOM      0  HB3 ASN A  25      -4.607  -3.089  -7.255  1.00 16.78           H   new
ATOM      0 HD21 ASN A  25      -5.251  -1.617 -10.984  1.00 24.70           H   new
ATOM      0 HD22 ASN A  25      -4.616  -3.220 -10.597  1.00 24.70           H   new
ATOM    401  N   VAL A  26      -2.304  -1.547  -5.794  1.00  6.52           N
ATOM    402  CA  VAL A  26      -1.950  -0.479  -4.911  1.00  5.53           C
ATOM    403  C   VAL A  26      -0.564   0.018  -5.135  1.00  4.42           C
ATOM    404  O   VAL A  26      -0.393   1.235  -5.174  1.00  3.40           O
ATOM    405  CB  VAL A  26      -2.312  -0.858  -3.505  1.00  3.86           C
ATOM    406  CG1 VAL A  26      -2.055   0.316  -2.545  1.00  7.25           C
ATOM    407  CG2 VAL A  26      -3.827  -1.045  -3.694  1.00  8.12           C
ATOM      0  H   VAL A  26      -2.587  -2.391  -5.296  1.00  6.52           H   new
ATOM      0  HA  VAL A  26      -2.540   0.409  -5.137  1.00  5.53           H   new
ATOM      0  HB  VAL A  26      -1.765  -1.706  -3.092  1.00  3.86           H   new
ATOM      0 HG11 VAL A  26      -2.324   0.022  -1.530  1.00  7.25           H   new
ATOM      0 HG12 VAL A  26      -1.000   0.588  -2.577  1.00  7.25           H   new
ATOM      0 HG13 VAL A  26      -2.659   1.172  -2.847  1.00  7.25           H   new
ATOM      0 HG21 VAL A  26      -4.279  -1.333  -2.745  1.00  8.12           H   new
ATOM      0 HG22 VAL A  26      -4.269  -0.110  -4.038  1.00  8.12           H   new
ATOM      0 HG23 VAL A  26      -4.008  -1.825  -4.433  1.00  8.12           H   new
ATOM    417  N   LYS A  27       0.479  -0.807  -5.339  1.00  2.64           N
ATOM    418  CA  LYS A  27       1.816  -0.351  -5.560  1.00  4.14           C
ATOM    419  C   LYS A  27       1.874   0.328  -6.886  1.00  5.58           C
ATOM    420  O   LYS A  27       2.529   1.363  -6.995  1.00  4.11           O
ATOM    421  CB  LYS A  27       2.818  -1.517  -5.577  1.00  3.97           C
ATOM    422  CG  LYS A  27       2.928  -2.247  -4.236  1.00  7.45           C
ATOM    423  CD  LYS A  27       4.115  -3.185  -4.011  1.00  9.02           C
ATOM    424  CE  LYS A  27       3.983  -4.456  -4.851  1.00 12.90           C
ATOM    425  NZ  LYS A  27       4.918  -5.511  -4.401  1.00 15.47           N
ATOM      0  H   LYS A  27       0.389  -1.823  -5.350  1.00  2.64           H   new
ATOM      0  HA  LYS A  27       2.082   0.326  -4.748  1.00  4.14           H   new
ATOM      0  HB2 LYS A  27       2.521  -2.230  -6.346  1.00  3.97           H   new
ATOM      0  HB3 LYS A  27       3.801  -1.137  -5.857  1.00  3.97           H   new
ATOM      0  HG2 LYS A  27       2.947  -1.493  -3.449  1.00  7.45           H   new
ATOM      0  HG3 LYS A  27       2.016  -2.828  -4.099  1.00  7.45           H   new
ATOM      0  HD2 LYS A  27       5.041  -2.671  -4.267  1.00  9.02           H   new
ATOM      0  HD3 LYS A  27       4.178  -3.449  -2.955  1.00  9.02           H   new
ATOM      0  HE2 LYS A  27       2.960  -4.827  -4.791  1.00 12.90           H   new
ATOM      0  HE3 LYS A  27       4.176  -4.222  -5.898  1.00 12.90           H   new
ATOM      0  HZ1 LYS A  27       4.405  -6.410  -4.303  1.00 15.47           H   new
ATOM      0  HZ2 LYS A  27       5.680  -5.621  -5.100  1.00 15.47           H   new
ATOM      0  HZ3 LYS A  27       5.327  -5.244  -3.483  1.00 15.47           H   new
ATOM    439  N   ALA A  28       1.082  -0.135  -7.869  1.00  6.61           N
ATOM    440  CA  ALA A  28       1.003   0.421  -9.185  1.00  7.74           C
ATOM    441  C   ALA A  28       0.459   1.805  -9.281  1.00  9.17           C
ATOM    442  O   ALA A  28       0.833   2.528 -10.203  1.00 11.45           O
ATOM    443  CB  ALA A  28       0.264  -0.486 -10.183  1.00  7.68           C
ATOM      0  H   ALA A  28       0.466  -0.937  -7.740  1.00  6.61           H   new
ATOM      0  HA  ALA A  28       2.056   0.487  -9.460  1.00  7.74           H   new
ATOM      0  HB1 ALA A  28       0.239  -0.006 -11.161  1.00  7.68           H   new
ATOM      0  HB2 ALA A  28       0.784  -1.441 -10.260  1.00  7.68           H   new
ATOM      0  HB3 ALA A  28      -0.755  -0.655  -9.836  1.00  7.68           H   new
ATOM    449  N   LYS A  29      -0.451   2.179  -8.365  1.00  8.96           N
ATOM    450  CA  LYS A  29      -0.932   3.524  -8.284  1.00  7.90           C
ATOM    451  C   LYS A  29       0.110   4.461  -7.779  1.00  6.92           C
ATOM    452  O   LYS A  29       0.240   5.531  -8.372  1.00  6.87           O
ATOM    453  CB  LYS A  29      -2.244   3.684  -7.498  1.00 10.28           C
ATOM    454  CG  LYS A  29      -3.302   2.744  -8.081  1.00 14.94           C
ATOM    455  CD  LYS A  29      -3.861   2.904  -9.497  1.00 19.69           C
ATOM    456  CE  LYS A  29      -3.298   1.885 -10.489  1.00 22.63           C
ATOM    457  NZ  LYS A  29      -3.842   1.947 -11.864  1.00 24.98           N
ATOM      0  H   LYS A  29      -0.857   1.546  -7.676  1.00  8.96           H   new
ATOM      0  HA  LYS A  29      -1.169   3.793  -9.314  1.00  7.90           H   new
ATOM      0  HB2 LYS A  29      -2.080   3.457  -6.445  1.00 10.28           H   new
ATOM      0  HB3 LYS A  29      -2.589   4.716  -7.551  1.00 10.28           H   new
ATOM      0  HG2 LYS A  29      -2.889   1.737  -8.022  1.00 14.94           H   new
ATOM      0  HG3 LYS A  29      -4.156   2.779  -7.404  1.00 14.94           H   new
ATOM      0  HD2 LYS A  29      -4.946   2.808  -9.465  1.00 19.69           H   new
ATOM      0  HD3 LYS A  29      -3.641   3.910  -9.856  1.00 19.69           H   new
ATOM      0  HE2 LYS A  29      -2.217   2.018 -10.541  1.00 22.63           H   new
ATOM      0  HE3 LYS A  29      -3.478   0.885 -10.093  1.00 22.63           H   new
ATOM      0  HZ1 LYS A  29      -3.392   1.214 -12.449  1.00 24.98           H   new
ATOM      0  HZ2 LYS A  29      -4.869   1.787 -11.838  1.00 24.98           H   new
ATOM      0  HZ3 LYS A  29      -3.648   2.884 -12.272  1.00 24.98           H   new
ATOM    471  N   ILE A  30       1.006   4.031  -6.873  1.00  4.57           N
ATOM    472  CA  ILE A  30       2.147   4.825  -6.538  1.00  5.58           C
ATOM    473  C   ILE A  30       3.154   4.877  -7.635  1.00  7.26           C
ATOM    474  O   ILE A  30       3.630   5.971  -7.931  1.00  9.46           O
ATOM    475  CB  ILE A  30       2.893   4.292  -5.351  1.00  5.36           C
ATOM    476  CG1 ILE A  30       1.976   4.399  -4.121  1.00  2.94           C
ATOM    477  CG2 ILE A  30       4.217   5.038  -5.115  1.00  2.78           C
ATOM    478  CD1 ILE A  30       2.268   3.349  -3.050  1.00  2.00           C
ATOM      0  H   ILE A  30       0.942   3.142  -6.376  1.00  4.57           H   new
ATOM      0  HA  ILE A  30       1.725   5.810  -6.337  1.00  5.58           H   new
ATOM      0  HB  ILE A  30       3.159   3.251  -5.536  1.00  5.36           H   new
ATOM      0 HG12 ILE A  30       2.082   5.392  -3.684  1.00  2.94           H   new
ATOM      0 HG13 ILE A  30       0.939   4.301  -4.441  1.00  2.94           H   new
ATOM      0 HG21 ILE A  30       4.722   4.617  -4.245  1.00  2.78           H   new
ATOM      0 HG22 ILE A  30       4.856   4.932  -5.992  1.00  2.78           H   new
ATOM      0 HG23 ILE A  30       4.013   6.094  -4.940  1.00  2.78           H   new
ATOM      0 HD11 ILE A  30       1.584   3.484  -2.212  1.00  2.00           H   new
ATOM      0 HD12 ILE A  30       2.134   2.353  -3.471  1.00  2.00           H   new
ATOM      0 HD13 ILE A  30       3.295   3.460  -2.702  1.00  2.00           H   new
ATOM    490  N   GLN A  31       3.510   3.749  -8.274  1.00  7.06           N
ATOM    491  CA  GLN A  31       4.243   3.678  -9.500  1.00  8.67           C
ATOM    492  C   GLN A  31       3.807   4.633 -10.557  1.00 10.90           C
ATOM    493  O   GLN A  31       4.594   5.438 -11.053  1.00  9.63           O
ATOM    494  CB  GLN A  31       4.452   2.307 -10.166  1.00  9.12           C
ATOM    495  CG  GLN A  31       5.438   2.408 -11.332  1.00 10.76           C
ATOM    496  CD  GLN A  31       5.312   1.111 -12.120  1.00 13.78           C
ATOM    497  OE1 GLN A  31       5.083   0.025 -11.590  1.00 14.48           O
ATOM    498  NE2 GLN A  31       5.326   1.242 -13.473  1.00 14.76           N
ATOM      0  H   GLN A  31       3.270   2.827  -7.910  1.00  7.06           H   new
ATOM      0  HA  GLN A  31       5.210   3.968  -9.088  1.00  8.67           H   new
ATOM      0  HB2 GLN A  31       4.825   1.595  -9.430  1.00  9.12           H   new
ATOM      0  HB3 GLN A  31       3.497   1.924 -10.525  1.00  9.12           H   new
ATOM      0  HG2 GLN A  31       5.208   3.268 -11.961  1.00 10.76           H   new
ATOM      0  HG3 GLN A  31       6.456   2.543 -10.968  1.00 10.76           H   new
ATOM      0 HE21 GLN A  31       5.518   2.150 -13.895  1.00 14.76           H   new
ATOM      0 HE22 GLN A  31       5.145   0.432 -14.066  1.00 14.76           H   new
ATOM    507  N   ASP A  32       2.510   4.667 -10.911  1.00 10.93           N
ATOM    508  CA  ASP A  32       1.986   5.642 -11.816  1.00 14.01           C
ATOM    509  C   ASP A  32       2.230   7.060 -11.429  1.00 14.04           C
ATOM    510  O   ASP A  32       2.516   7.903 -12.277  1.00 13.39           O
ATOM    511  CB  ASP A  32       0.457   5.496 -11.892  1.00 18.01           C
ATOM    512  CG  ASP A  32      -0.236   5.946 -13.170  1.00 24.33           C
ATOM    513  OD1 ASP A  32      -0.477   7.153 -13.440  1.00 26.29           O
ATOM    514  OD2 ASP A  32      -0.561   5.034 -13.975  1.00 25.17           O
ATOM      0  H   ASP A  32       1.814   4.007 -10.563  1.00 10.93           H   new
ATOM      0  HA  ASP A  32       2.503   5.447 -12.756  1.00 14.01           H   new
ATOM      0  HB2 ASP A  32       0.212   4.446 -11.730  1.00 18.01           H   new
ATOM      0  HB3 ASP A  32       0.025   6.056 -11.062  1.00 18.01           H   new
ATOM    519  N   LYS A  33       2.112   7.334 -10.117  1.00 14.22           N
ATOM    520  CA  LYS A  33       2.010   8.651  -9.568  1.00 14.00           C
ATOM    521  C   LYS A  33       3.312   9.299  -9.244  1.00 12.37           C
ATOM    522  O   LYS A  33       3.759  10.287  -9.825  1.00 12.17           O
ATOM    523  CB  LYS A  33       1.165   8.745  -8.287  1.00 18.62           C
ATOM    524  CG  LYS A  33      -0.328   8.828  -8.612  1.00 24.00           C
ATOM    525  CD  LYS A  33      -1.264   8.620  -7.420  1.00 27.61           C
ATOM    526  CE  LYS A  33      -2.741   8.466  -7.787  1.00 27.64           C
ATOM    527  NZ  LYS A  33      -3.349   9.612  -8.500  1.00 30.06           N
ATOM      0  H   LYS A  33       2.087   6.603  -9.406  1.00 14.22           H   new
ATOM      0  HA  LYS A  33       1.522   9.175 -10.390  1.00 14.00           H   new
ATOM      0  HB2 LYS A  33       1.355   7.875  -7.659  1.00 18.62           H   new
ATOM      0  HB3 LYS A  33       1.464   9.623  -7.715  1.00 18.62           H   new
ATOM      0  HG2 LYS A  33      -0.535   9.804  -9.051  1.00 24.00           H   new
ATOM      0  HG3 LYS A  33      -0.561   8.082  -9.371  1.00 24.00           H   new
ATOM      0  HD2 LYS A  33      -0.944   7.732  -6.875  1.00 27.61           H   new
ATOM      0  HD3 LYS A  33      -1.159   9.466  -6.741  1.00 27.61           H   new
ATOM      0  HE2 LYS A  33      -2.851   7.576  -8.407  1.00 27.64           H   new
ATOM      0  HE3 LYS A  33      -3.307   8.289  -6.872  1.00 27.64           H   new
ATOM      0  HZ1 LYS A  33      -4.348   9.405  -8.701  1.00 30.06           H   new
ATOM      0  HZ2 LYS A  33      -3.284  10.464  -7.907  1.00 30.06           H   new
ATOM      0  HZ3 LYS A  33      -2.842   9.773  -9.394  1.00 30.06           H   new
ATOM    541  N   GLU A  34       3.998   8.741  -8.231  1.00 10.11           N
ATOM    542  CA  GLU A  34       5.135   9.333  -7.598  1.00 10.07           C
ATOM    543  C   GLU A  34       6.374   8.927  -8.318  1.00  9.32           C
ATOM    544  O   GLU A  34       7.323   9.667  -8.575  1.00 11.61           O
ATOM    545  CB  GLU A  34       5.247   8.932  -6.117  1.00 14.77           C
ATOM    546  CG  GLU A  34       4.147   9.386  -5.155  1.00 18.75           C
ATOM    547  CD  GLU A  34       4.300  10.866  -4.834  1.00 22.28           C
ATOM    548  OE1 GLU A  34       5.450  11.290  -4.542  1.00 25.19           O
ATOM    549  OE2 GLU A  34       3.263  11.581  -4.823  1.00 21.95           O
ATOM      0  H   GLU A  34       3.748   7.835  -7.835  1.00 10.11           H   new
ATOM      0  HA  GLU A  34       5.010  10.415  -7.640  1.00 10.07           H   new
ATOM      0  HB2 GLU A  34       5.300   7.844  -6.071  1.00 14.77           H   new
ATOM      0  HB3 GLU A  34       6.196   9.314  -5.740  1.00 14.77           H   new
ATOM      0  HG2 GLU A  34       3.169   9.203  -5.599  1.00 18.75           H   new
ATOM      0  HG3 GLU A  34       4.195   8.801  -4.236  1.00 18.75           H   new
ATOM    556  N   GLY A  35       6.391   7.622  -8.641  1.00  7.22           N
ATOM    557  CA  GLY A  35       7.345   7.040  -9.534  1.00  6.29           C
ATOM    558  C   GLY A  35       8.108   5.963  -8.844  1.00  6.93           C
ATOM    559  O   GLY A  35       9.132   5.550  -9.386  1.00  7.41           O
ATOM      0  H   GLY A  35       5.720   6.950  -8.269  1.00  7.22           H   new
ATOM      0  HA2 GLY A  35       6.835   6.632 -10.407  1.00  6.29           H   new
ATOM      0  HA3 GLY A  35       8.030   7.807  -9.895  1.00  6.29           H   new
ATOM    563  N   ILE A  36       7.642   5.372  -7.729  1.00  5.86           N
ATOM    564  CA  ILE A  36       8.396   4.522  -6.860  1.00  6.07           C
ATOM    565  C   ILE A  36       8.182   3.154  -7.410  1.00  6.36           C
ATOM    566  O   ILE A  36       7.045   2.688  -7.451  1.00  6.18           O
ATOM    567  CB  ILE A  36       7.958   4.487  -5.426  1.00  7.47           C
ATOM    568  CG1 ILE A  36       8.163   5.905  -4.868  1.00  8.52           C
ATOM    569  CG2 ILE A  36       8.672   3.388  -4.621  1.00  7.36           C
ATOM    570  CD1 ILE A  36       7.378   6.199  -3.590  1.00  9.49           C
ATOM      0  H   ILE A  36       6.679   5.496  -7.416  1.00  5.86           H   new
ATOM      0  HA  ILE A  36       9.421   4.892  -6.838  1.00  6.07           H   new
ATOM      0  HB  ILE A  36       6.906   4.214  -5.343  1.00  7.47           H   new
ATOM      0 HG12 ILE A  36       9.224   6.055  -4.671  1.00  8.52           H   new
ATOM      0 HG13 ILE A  36       7.875   6.628  -5.631  1.00  8.52           H   new
ATOM      0 HG21 ILE A  36       8.319   3.405  -3.590  1.00  7.36           H   new
ATOM      0 HG22 ILE A  36       8.456   2.415  -5.062  1.00  7.36           H   new
ATOM      0 HG23 ILE A  36       9.748   3.564  -4.640  1.00  7.36           H   new
ATOM      0 HD11 ILE A  36       7.580   7.220  -3.265  1.00  9.49           H   new
ATOM      0 HD12 ILE A  36       6.311   6.085  -3.784  1.00  9.49           H   new
ATOM      0 HD13 ILE A  36       7.682   5.503  -2.808  1.00  9.49           H   new
ATOM    582  N   PRO A  37       9.152   2.397  -7.831  1.00  8.65           N
ATOM    583  CA  PRO A  37       8.848   1.094  -8.347  1.00  9.18           C
ATOM    584  C   PRO A  37       8.641   0.035  -7.319  1.00  9.85           C
ATOM    585  O   PRO A  37       8.955   0.159  -6.136  1.00  8.51           O
ATOM    586  CB  PRO A  37      10.078   0.778  -9.195  1.00 11.42           C
ATOM    587  CG  PRO A  37      11.186   1.381  -8.318  1.00  9.27           C
ATOM    588  CD  PRO A  37      10.577   2.682  -7.769  1.00  8.33           C
ATOM      0  HA  PRO A  37       7.898   1.104  -8.881  1.00  9.18           H   new
ATOM      0  HB2 PRO A  37      10.210  -0.293  -9.351  1.00 11.42           H   new
ATOM      0  HB3 PRO A  37      10.032   1.241 -10.181  1.00 11.42           H   new
ATOM      0  HG2 PRO A  37      11.467   0.703  -7.512  1.00  9.27           H   new
ATOM      0  HG3 PRO A  37      12.088   1.578  -8.898  1.00  9.27           H   new
ATOM      0  HD2 PRO A  37      10.908   2.890  -6.751  1.00  8.33           H   new
ATOM      0  HD3 PRO A  37      10.847   3.547  -8.375  1.00  8.33           H   new
ATOM    596  N   PRO A  38       8.035  -1.048  -7.707  1.00  8.71           N
ATOM    597  CA  PRO A  38       7.448  -1.924  -6.736  1.00  9.08           C
ATOM    598  C   PRO A  38       8.361  -2.922  -6.110  1.00  9.28           C
ATOM    599  O   PRO A  38       7.933  -3.549  -5.142  1.00  6.50           O
ATOM    600  CB  PRO A  38       6.392  -2.681  -7.538  1.00 10.31           C
ATOM    601  CG  PRO A  38       6.782  -2.516  -9.016  1.00 10.81           C
ATOM    602  CD  PRO A  38       7.513  -1.165  -9.060  1.00 12.00           C
ATOM      0  HA  PRO A  38       7.093  -1.328  -5.895  1.00  9.08           H   new
ATOM      0  HB2 PRO A  38       6.369  -3.734  -7.256  1.00 10.31           H   new
ATOM      0  HB3 PRO A  38       5.397  -2.278  -7.350  1.00 10.31           H   new
ATOM      0  HG2 PRO A  38       7.426  -3.329  -9.352  1.00 10.81           H   new
ATOM      0  HG3 PRO A  38       5.905  -2.516  -9.663  1.00 10.81           H   new
ATOM      0  HD2 PRO A  38       8.309  -1.158  -9.805  1.00 12.00           H   new
ATOM      0  HD3 PRO A  38       6.838  -0.346  -9.307  1.00 12.00           H   new
ATOM    610  N   ASP A  39       9.624  -3.146  -6.514  1.00 11.20           N
ATOM    611  CA  ASP A  39      10.591  -3.862  -5.741  1.00 14.96           C
ATOM    612  C   ASP A  39      11.223  -3.074  -4.646  1.00 13.99           C
ATOM    613  O   ASP A  39      11.739  -3.580  -3.651  1.00 13.75           O
ATOM    614  CB  ASP A  39      11.649  -4.490  -6.664  1.00 24.16           C
ATOM    615  CG  ASP A  39      12.423  -3.415  -7.414  1.00 31.06           C
ATOM    616  OD1 ASP A  39      11.831  -2.647  -8.218  1.00 34.22           O
ATOM    617  OD2 ASP A  39      13.664  -3.321  -7.218  1.00 35.55           O
ATOM      0  H   ASP A  39       9.985  -2.817  -7.410  1.00 11.20           H   new
ATOM      0  HA  ASP A  39      10.039  -4.649  -5.227  1.00 14.96           H   new
ATOM      0  HB2 ASP A  39      12.338  -5.095  -6.075  1.00 24.16           H   new
ATOM      0  HB3 ASP A  39      11.165  -5.159  -7.376  1.00 24.16           H   new
ATOM    622  N   GLN A  40      11.162  -1.736  -4.775  1.00 11.60           N
ATOM    623  CA  GLN A  40      11.761  -0.865  -3.812  1.00 10.76           C
ATOM    624  C   GLN A  40      10.928  -0.690  -2.589  1.00  8.01           C
ATOM    625  O   GLN A  40      11.374  -0.473  -1.463  1.00  8.96           O
ATOM    626  CB  GLN A  40      12.078   0.500  -4.445  1.00 11.14           C
ATOM    627  CG  GLN A  40      12.985   1.419  -3.625  1.00 14.85           C
ATOM    628  CD  GLN A  40      13.047   2.782  -4.299  1.00 16.11           C
ATOM    629  OE1 GLN A  40      13.610   2.876  -5.389  1.00 20.52           O
ATOM    630  NE2 GLN A  40      12.445   3.817  -3.653  1.00 18.16           N
ATOM      0  H   GLN A  40      10.698  -1.257  -5.547  1.00 11.60           H   new
ATOM      0  HA  GLN A  40      12.689  -1.341  -3.494  1.00 10.76           H   new
ATOM      0  HB2 GLN A  40      12.546   0.330  -5.415  1.00 11.14           H   new
ATOM      0  HB3 GLN A  40      11.138   1.020  -4.631  1.00 11.14           H   new
ATOM      0  HG2 GLN A  40      12.602   1.518  -2.609  1.00 14.85           H   new
ATOM      0  HG3 GLN A  40      13.984   0.991  -3.548  1.00 14.85           H   new
ATOM      0 HE21 GLN A  40      11.997   3.663  -2.750  1.00 18.16           H   new
ATOM      0 HE22 GLN A  40      12.442   4.747  -4.072  1.00 18.16           H   new
ATOM    639  N   GLN A  41       9.591  -0.621  -2.716  1.00  6.52           N
ATOM    640  CA  GLN A  41       8.706  -0.308  -1.637  1.00  3.87           C
ATOM    641  C   GLN A  41       8.051  -1.548  -1.132  1.00  4.79           C
ATOM    642  O   GLN A  41       7.558  -2.392  -1.879  1.00  6.34           O
ATOM    643  CB  GLN A  41       7.588   0.656  -2.067  1.00  4.20           C
ATOM    644  CG  GLN A  41       6.906   0.222  -3.366  1.00  3.20           C
ATOM    645  CD  GLN A  41       5.520   0.778  -3.663  1.00  4.89           C
ATOM    646  OE1 GLN A  41       4.635   0.710  -2.811  1.00  5.21           O
ATOM    647  NE2 GLN A  41       5.344   1.277  -4.916  1.00  7.13           N
ATOM      0  H   GLN A  41       9.110  -0.789  -3.599  1.00  6.52           H   new
ATOM      0  HA  GLN A  41       9.314   0.163  -0.865  1.00  3.87           H   new
ATOM      0  HB2 GLN A  41       6.843   0.720  -1.274  1.00  4.20           H   new
ATOM      0  HB3 GLN A  41       8.004   1.655  -2.195  1.00  4.20           H   new
ATOM      0  HG2 GLN A  41       7.560   0.494  -4.194  1.00  3.20           H   new
ATOM      0  HG3 GLN A  41       6.836  -0.866  -3.360  1.00  3.20           H   new
ATOM      0 HE21 GLN A  41       6.127   1.301  -5.570  1.00  7.13           H   new
ATOM      0 HE22 GLN A  41       4.430   1.627  -5.202  1.00  7.13           H   new
ATOM    656  N   ARG A  42       7.988  -1.657   0.207  1.00  5.73           N
ATOM    657  CA  ARG A  42       7.156  -2.575   0.921  1.00  6.97           C
ATOM    658  C   ARG A  42       6.142  -1.837   1.726  1.00  7.15           C
ATOM    659  O   ARG A  42       6.291  -0.666   2.069  1.00  7.33           O
ATOM    660  CB  ARG A  42       8.063  -3.511   1.738  1.00 13.23           C
ATOM    661  CG  ARG A  42       7.484  -4.398   2.842  1.00 21.27           C
ATOM    662  CD  ARG A  42       8.499  -5.334   3.500  1.00 26.14           C
ATOM    663  NE  ARG A  42       8.784  -6.415   2.515  1.00 32.26           N
ATOM    664  CZ  ARG A  42       9.401  -7.563   2.921  1.00 34.32           C
ATOM    665  NH1 ARG A  42      10.072  -7.600   4.109  1.00 35.30           N
ATOM    666  NH2 ARG A  42       9.514  -8.674   2.135  1.00 36.39           N
ATOM      0  H   ARG A  42       8.549  -1.071   0.825  1.00  5.73           H   new
ATOM      0  HA  ARG A  42       6.575  -3.201   0.244  1.00  6.97           H   new
ATOM      0  HB2 ARG A  42       8.565  -4.169   1.029  1.00 13.23           H   new
ATOM      0  HB3 ARG A  42       8.833  -2.890   2.197  1.00 13.23           H   new
ATOM      0  HG2 ARG A  42       7.045  -3.761   3.610  1.00 21.27           H   new
ATOM      0  HG3 ARG A  42       6.675  -4.996   2.423  1.00 21.27           H   new
ATOM      0  HD2 ARG A  42       9.411  -4.796   3.759  1.00 26.14           H   new
ATOM      0  HD3 ARG A  42       8.100  -5.749   4.426  1.00 26.14           H   new
ATOM      0  HE  ARG A  42       8.518  -6.297   1.537  1.00 32.26           H   new
ATOM      0 HH11 ARG A  42      10.114  -6.768   4.697  1.00 35.30           H   new
ATOM      0 HH12 ARG A  42      10.532  -8.460   4.409  1.00 35.30           H   new
ATOM      0 HH21 ARG A  42       9.126  -8.673   1.192  1.00 36.39           H   new
ATOM      0 HH22 ARG A  42       9.986  -9.505   2.491  1.00 36.39           H   new
ATOM    680  N   LEU A  43       4.981  -2.501   1.872  1.00  4.65           N
ATOM    681  CA  LEU A  43       3.902  -1.893   2.586  1.00  3.51           C
ATOM    682  C   LEU A  43       3.585  -2.637   3.838  1.00  5.56           C
ATOM    683  O   LEU A  43       3.304  -3.832   3.756  1.00  4.19           O
ATOM    684  CB  LEU A  43       2.583  -1.781   1.803  1.00  3.74           C
ATOM    685  CG  LEU A  43       2.739  -1.007   0.483  1.00  6.32           C
ATOM    686  CD1 LEU A  43       1.545  -1.193  -0.470  1.00  6.41           C
ATOM    687  CD2 LEU A  43       2.850   0.475   0.878  1.00  9.55           C
ATOM      0  H   LEU A  43       4.792  -3.434   1.506  1.00  4.65           H   new
ATOM      0  HA  LEU A  43       4.274  -0.888   2.785  1.00  3.51           H   new
ATOM      0  HB2 LEU A  43       2.206  -2.781   1.590  1.00  3.74           H   new
ATOM      0  HB3 LEU A  43       1.838  -1.285   2.424  1.00  3.74           H   new
ATOM      0  HG  LEU A  43       3.612  -1.376  -0.055  1.00  6.32           H   new
ATOM      0 HD11 LEU A  43       1.716  -0.622  -1.383  1.00  6.41           H   new
ATOM      0 HD12 LEU A  43       1.438  -2.249  -0.717  1.00  6.41           H   new
ATOM      0 HD13 LEU A  43       0.635  -0.840   0.014  1.00  6.41           H   new
ATOM      0 HD21 LEU A  43       2.964   1.083  -0.019  1.00  9.55           H   new
ATOM      0 HD22 LEU A  43       1.948   0.778   1.410  1.00  9.55           H   new
ATOM      0 HD23 LEU A  43       3.717   0.616   1.524  1.00  9.55           H   new
ATOM    699  N   ILE A  44       3.595  -1.904   4.966  1.00  4.58           N
ATOM    700  CA  ILE A  44       3.214  -2.355   6.268  1.00  5.55           C
ATOM    701  C   ILE A  44       1.864  -1.786   6.538  1.00  5.46           C
ATOM    702  O   ILE A  44       1.635  -0.591   6.352  1.00  6.04           O
ATOM    703  CB  ILE A  44       4.182  -1.886   7.313  1.00  6.80           C
ATOM    704  CG1 ILE A  44       5.578  -2.503   7.120  1.00 10.31           C
ATOM    705  CG2 ILE A  44       3.660  -2.135   8.738  1.00  7.39           C
ATOM    706  CD1 ILE A  44       5.658  -4.016   6.920  1.00 13.90           C
ATOM      0  H   ILE A  44       3.890  -0.928   4.967  1.00  4.58           H   new
ATOM      0  HA  ILE A  44       3.208  -3.444   6.303  1.00  5.55           H   new
ATOM      0  HB  ILE A  44       4.277  -0.808   7.185  1.00  6.80           H   new
ATOM      0 HG12 ILE A  44       6.041  -2.024   6.257  1.00 10.31           H   new
ATOM      0 HG13 ILE A  44       6.183  -2.246   7.990  1.00 10.31           H   new
ATOM      0 HG21 ILE A  44       4.394  -1.780   9.462  1.00  7.39           H   new
ATOM      0 HG22 ILE A  44       2.721  -1.600   8.880  1.00  7.39           H   new
ATOM      0 HG23 ILE A  44       3.495  -3.202   8.884  1.00  7.39           H   new
ATOM      0 HD11 ILE A  44       6.700  -4.312   6.797  1.00 13.90           H   new
ATOM      0 HD12 ILE A  44       5.238  -4.521   7.790  1.00 13.90           H   new
ATOM      0 HD13 ILE A  44       5.094  -4.296   6.030  1.00 13.90           H   new
ATOM    718  N   PHE A  45       0.978  -2.596   7.144  1.00  6.75           N
ATOM    719  CA  PHE A  45      -0.211  -2.137   7.793  1.00  4.70           C
ATOM    720  C   PHE A  45      -0.292  -2.527   9.229  1.00  6.34           C
ATOM    721  O   PHE A  45       0.006  -3.689   9.496  1.00  5.45           O
ATOM    722  CB  PHE A  45      -1.443  -2.650   7.027  1.00  5.51           C
ATOM    723  CG  PHE A  45      -2.713  -1.997   7.450  1.00  5.98           C
ATOM    724  CD1 PHE A  45      -3.048  -0.735   7.016  1.00  6.86           C
ATOM    725  CD2 PHE A  45      -3.511  -2.617   8.382  1.00  5.87           C
ATOM    726  CE1 PHE A  45      -4.215  -0.172   7.474  1.00  6.68           C
ATOM    727  CE2 PHE A  45      -4.694  -2.051   8.796  1.00  6.64           C
ATOM    728  CZ  PHE A  45      -5.120  -0.867   8.241  1.00  6.84           C
ATOM      0  H   PHE A  45       1.094  -3.609   7.184  1.00  6.75           H   new
ATOM      0  HA  PHE A  45      -0.183  -1.047   7.779  1.00  4.70           H   new
ATOM      0  HB2 PHE A  45      -1.294  -2.483   5.960  1.00  5.51           H   new
ATOM      0  HB3 PHE A  45      -1.530  -3.727   7.172  1.00  5.51           H   new
ATOM      0  HD1 PHE A  45      -2.408  -0.199   6.331  1.00  6.86           H   new
ATOM      0  HD2 PHE A  45      -3.203  -3.566   8.797  1.00  5.87           H   new
ATOM      0  HE1 PHE A  45      -4.429   0.856   7.222  1.00  6.68           H   new
ATOM      0  HE2 PHE A  45      -5.288  -2.536   9.556  1.00  6.64           H   new
ATOM      0  HZ  PHE A  45      -6.123  -0.499   8.401  1.00  6.84           H   new
ATOM    738  N   ALA A  46      -0.727  -1.665  10.165  1.00  6.53           N
ATOM    739  CA  ALA A  46      -0.721  -1.951  11.566  1.00  7.15           C
ATOM    740  C   ALA A  46       0.608  -2.408  12.060  1.00  9.00           C
ATOM    741  O   ALA A  46       1.553  -1.634  12.209  1.00 11.15           O
ATOM    742  CB  ALA A  46      -1.925  -2.770  12.062  1.00  8.99           C
ATOM      0  H   ALA A  46      -1.094  -0.740   9.940  1.00  6.53           H   new
ATOM      0  HA  ALA A  46      -0.879  -0.990  12.056  1.00  7.15           H   new
ATOM      0  HB1 ALA A  46      -1.834  -2.938  13.135  1.00  8.99           H   new
ATOM      0  HB2 ALA A  46      -2.846  -2.224  11.857  1.00  8.99           H   new
ATOM      0  HB3 ALA A  46      -1.950  -3.730  11.546  1.00  8.99           H   new
ATOM    748  N   GLY A  47       0.891  -3.709  12.248  1.00  9.35           N
ATOM    749  CA  GLY A  47       2.224  -4.153  12.513  1.00 11.68           C
ATOM    750  C   GLY A  47       2.409  -5.492  11.887  1.00 11.14           C
ATOM    751  O   GLY A  47       2.818  -6.421  12.581  1.00 13.93           O
ATOM      0  H   GLY A  47       0.196  -4.455  12.216  1.00  9.35           H   new
ATOM      0  HA2 GLY A  47       2.947  -3.443  12.110  1.00 11.68           H   new
ATOM      0  HA3 GLY A  47       2.398  -4.210  13.588  1.00 11.68           H   new
ATOM    755  N   LYS A  48       2.060  -5.534  10.588  1.00 10.47           N
ATOM    756  CA  LYS A  48       2.171  -6.642   9.692  1.00  8.82           C
ATOM    757  C   LYS A  48       2.299  -6.290   8.250  1.00  7.68           C
ATOM    758  O   LYS A  48       2.070  -5.175   7.786  1.00  6.47           O
ATOM    759  CB  LYS A  48       0.956  -7.570   9.861  1.00  9.74           C
ATOM    760  CG  LYS A  48      -0.408  -6.942   9.565  1.00 14.14           C
ATOM    761  CD  LYS A  48      -1.545  -7.925   9.849  1.00 16.32           C
ATOM    762  CE  LYS A  48      -1.809  -8.988   8.781  1.00 20.04           C
ATOM    763  NZ  LYS A  48      -3.058  -9.722   9.082  1.00 23.92           N
ATOM      0  H   LYS A  48       1.664  -4.716  10.125  1.00 10.47           H   new
ATOM      0  HA  LYS A  48       3.106  -7.130   9.968  1.00  8.82           H   new
ATOM      0  HB2 LYS A  48       1.087  -8.432   9.207  1.00  9.74           H   new
ATOM      0  HB3 LYS A  48       0.948  -7.944  10.885  1.00  9.74           H   new
ATOM      0  HG2 LYS A  48      -0.538  -6.047  10.173  1.00 14.14           H   new
ATOM      0  HG3 LYS A  48      -0.448  -6.628   8.522  1.00 14.14           H   new
ATOM      0  HD2 LYS A  48      -1.331  -8.432  10.790  1.00 16.32           H   new
ATOM      0  HD3 LYS A  48      -2.462  -7.354   9.996  1.00 16.32           H   new
ATOM      0  HE2 LYS A  48      -1.884  -8.517   7.801  1.00 20.04           H   new
ATOM      0  HE3 LYS A  48      -0.972  -9.685   8.737  1.00 20.04           H   new
ATOM      0  HZ1 LYS A  48      -3.224 -10.440   8.348  1.00 23.92           H   new
ATOM      0  HZ2 LYS A  48      -2.973 -10.187  10.008  1.00 23.92           H   new
ATOM      0  HZ3 LYS A  48      -3.856  -9.056   9.101  1.00 23.92           H   new
ATOM    777  N   GLN A  49       2.708  -7.273   7.428  1.00  8.89           N
ATOM    778  CA  GLN A  49       3.023  -7.210   6.034  1.00  7.18           C
ATOM    779  C   GLN A  49       1.896  -7.500   5.103  1.00  8.23           C
ATOM    780  O   GLN A  49       1.267  -8.556   5.134  1.00  9.70           O
ATOM    781  CB  GLN A  49       4.241  -8.098   5.730  1.00 11.67           C
ATOM    782  CG  GLN A  49       4.860  -7.773   4.369  1.00 15.82           C
ATOM    783  CD  GLN A  49       6.130  -8.547   4.044  1.00 20.21           C
ATOM    784  OE1 GLN A  49       6.193  -9.179   2.991  1.00 23.23           O
ATOM    785  NE2 GLN A  49       7.096  -8.586   5.000  1.00 20.67           N
ATOM      0  H   GLN A  49       2.831  -8.220   7.785  1.00  8.89           H   new
ATOM      0  HA  GLN A  49       3.259  -6.164   5.839  1.00  7.18           H   new
ATOM      0  HB2 GLN A  49       4.990  -7.966   6.510  1.00 11.67           H   new
ATOM      0  HB3 GLN A  49       3.941  -9.146   5.751  1.00 11.67           H   new
ATOM      0  HG2 GLN A  49       4.121  -7.972   3.593  1.00 15.82           H   new
ATOM      0  HG3 GLN A  49       5.082  -6.706   4.332  1.00 15.82           H   new
ATOM      0 HE21 GLN A  49       6.990  -8.040   5.855  1.00 20.67           H   new
ATOM      0 HE22 GLN A  49       7.927  -9.161   4.862  1.00 20.67           H   new
ATOM    794  N   LEU A  50       1.634  -6.613   4.127  1.00  6.51           N
ATOM    795  CA  LEU A  50       0.672  -6.739   3.076  1.00  7.41           C
ATOM    796  C   LEU A  50       1.198  -7.365   1.830  1.00  8.27           C
ATOM    797  O   LEU A  50       2.176  -6.926   1.227  1.00  8.34           O
ATOM    798  CB  LEU A  50       0.113  -5.375   2.639  1.00  7.13           C
ATOM    799  CG  LEU A  50      -0.632  -4.568   3.716  1.00  7.53           C
ATOM    800  CD1 LEU A  50      -0.939  -3.163   3.171  1.00  9.11           C
ATOM    801  CD2 LEU A  50      -1.920  -5.265   4.184  1.00  8.14           C
ATOM      0  H   LEU A  50       2.141  -5.730   4.070  1.00  6.51           H   new
ATOM      0  HA  LEU A  50      -0.091  -7.379   3.520  1.00  7.41           H   new
ATOM      0  HB2 LEU A  50       0.940  -4.769   2.268  1.00  7.13           H   new
ATOM      0  HB3 LEU A  50      -0.565  -5.536   1.801  1.00  7.13           H   new
ATOM      0  HG  LEU A  50       0.013  -4.493   4.591  1.00  7.53           H   new
ATOM      0 HD11 LEU A  50      -1.467  -2.586   3.930  1.00  9.11           H   new
ATOM      0 HD12 LEU A  50      -0.006  -2.660   2.916  1.00  9.11           H   new
ATOM      0 HD13 LEU A  50      -1.561  -3.246   2.280  1.00  9.11           H   new
ATOM      0 HD21 LEU A  50      -2.408  -4.655   4.944  1.00  8.14           H   new
ATOM      0 HD22 LEU A  50      -2.592  -5.395   3.336  1.00  8.14           H   new
ATOM      0 HD23 LEU A  50      -1.674  -6.240   4.604  1.00  8.14           H   new
ATOM    813  N   GLU A  51       0.554  -8.456   1.379  1.00  9.43           N
ATOM    814  CA  GLU A  51       0.966  -9.314   0.311  1.00 11.90           C
ATOM    815  C   GLU A  51       0.291  -8.996  -0.979  1.00 11.49           C
ATOM    816  O   GLU A  51      -0.935  -8.953  -1.068  1.00  9.88           O
ATOM    817  CB  GLU A  51       0.512 -10.725   0.720  1.00 16.56           C
ATOM    818  CG  GLU A  51       1.060 -11.940  -0.030  1.00 26.06           C
ATOM    819  CD  GLU A  51       0.553 -13.227   0.605  1.00 29.86           C
ATOM    820  OE1 GLU A  51      -0.585 -13.617   0.228  1.00 33.44           O
ATOM    821  OE2 GLU A  51       1.243 -13.843   1.459  1.00 32.13           O
ATOM      0  H   GLU A  51      -0.325  -8.762   1.796  1.00  9.43           H   new
ATOM      0  HA  GLU A  51       2.040  -9.206   0.159  1.00 11.90           H   new
ATOM      0  HB2 GLU A  51       0.757 -10.854   1.774  1.00 16.56           H   new
ATOM      0  HB3 GLU A  51      -0.575 -10.754   0.640  1.00 16.56           H   new
ATOM      0  HG2 GLU A  51       0.755 -11.898  -1.076  1.00 26.06           H   new
ATOM      0  HG3 GLU A  51       2.150 -11.924  -0.015  1.00 26.06           H   new
ATOM    828  N   ASP A  52       1.100  -8.895  -2.049  1.00 12.71           N
ATOM    829  CA  ASP A  52       0.815  -8.665  -3.431  1.00 16.56           C
ATOM    830  C   ASP A  52      -0.460  -9.197  -3.989  1.00 15.83           C
ATOM    831  O   ASP A  52      -1.145  -8.465  -4.703  1.00 17.21           O
ATOM    832  CB  ASP A  52       1.927  -9.228  -4.333  1.00 21.05           C
ATOM    833  CG  ASP A  52       3.253  -8.514  -4.114  1.00 25.12           C
ATOM    834  OD1 ASP A  52       3.812  -8.627  -2.990  1.00 25.82           O
ATOM    835  OD2 ASP A  52       3.797  -7.784  -4.984  1.00 28.37           O
ATOM      0  H   ASP A  52       2.107  -8.990  -1.916  1.00 12.71           H   new
ATOM      0  HA  ASP A  52       0.733  -7.578  -3.438  1.00 16.56           H   new
ATOM      0  HB2 ASP A  52       2.051 -10.293  -4.134  1.00 21.05           H   new
ATOM      0  HB3 ASP A  52       1.631  -9.131  -5.378  1.00 21.05           H   new
ATOM    840  N   GLY A  53      -0.726 -10.491  -3.737  1.00 15.00           N
ATOM    841  CA  GLY A  53      -1.849 -11.164  -4.312  1.00 11.77           C
ATOM    842  C   GLY A  53      -3.181 -11.044  -3.655  1.00 11.10           C
ATOM    843  O   GLY A  53      -4.198 -11.503  -4.173  1.00 11.25           O
ATOM      0  H   GLY A  53      -0.156 -11.077  -3.127  1.00 15.00           H   new
ATOM      0  HA2 GLY A  53      -1.955 -10.809  -5.337  1.00 11.77           H   new
ATOM      0  HA3 GLY A  53      -1.604 -12.225  -4.366  1.00 11.77           H   new
ATOM    847  N   ARG A  54      -3.247 -10.525  -2.416  1.00  8.53           N
ATOM    848  CA  ARG A  54      -4.521 -10.441  -1.771  1.00  9.05           C
ATOM    849  C   ARG A  54      -5.181  -9.133  -2.042  1.00  8.96           C
ATOM    850  O   ARG A  54      -4.526  -8.219  -2.540  1.00 11.60           O
ATOM    851  CB  ARG A  54      -4.363 -10.640  -0.254  1.00  7.97           C
ATOM    852  CG  ARG A  54      -3.490 -11.825   0.165  1.00  9.62           C
ATOM    853  CD  ARG A  54      -3.494 -12.061   1.676  1.00 12.20           C
ATOM    854  NE  ARG A  54      -2.514 -13.131   2.017  1.00 18.23           N
ATOM    855  CZ  ARG A  54      -2.041 -13.330   3.281  1.00 22.08           C
ATOM    856  NH1 ARG A  54      -2.726 -12.912   4.385  1.00 23.38           N
ATOM    857  NH2 ARG A  54      -0.788 -13.762   3.606  1.00 25.50           N
ATOM      0  H   ARG A  54      -2.454 -10.176  -1.878  1.00  8.53           H   new
ATOM      0  HA  ARG A  54      -5.152 -11.232  -2.176  1.00  9.05           H   new
ATOM      0  HB2 ARG A  54      -3.940  -9.730   0.173  1.00  7.97           H   new
ATOM      0  HB3 ARG A  54      -5.353 -10.767   0.184  1.00  7.97           H   new
ATOM      0  HG2 ARG A  54      -3.841 -12.725  -0.339  1.00  9.62           H   new
ATOM      0  HG3 ARG A  54      -2.467 -11.652  -0.168  1.00  9.62           H   new
ATOM      0  HD2 ARG A  54      -3.238 -11.139   2.199  1.00 12.20           H   new
ATOM      0  HD3 ARG A  54      -4.492 -12.349   2.007  1.00 12.20           H   new
ATOM      0  HE  ARG A  54      -2.182 -13.742   1.271  1.00 18.23           H   new
ATOM      0 HH11 ARG A  54      -3.621 -12.434   4.279  1.00 23.38           H   new
ATOM      0 HH12 ARG A  54      -2.343 -13.077   5.316  1.00 23.38           H   new
ATOM      0 HH21 ARG A  54      -0.112 -13.966   2.870  1.00 25.50           H   new
ATOM      0 HH22 ARG A  54      -0.527 -13.881   4.585  1.00 25.50           H   new
ATOM    871  N   THR A  55      -6.476  -9.105  -1.681  1.00  9.05           N
ATOM    872  CA  THR A  55      -7.271  -7.916  -1.713  1.00  9.03           C
ATOM    873  C   THR A  55      -7.182  -7.142  -0.443  1.00  8.15           C
ATOM    874  O   THR A  55      -6.792  -7.636   0.613  1.00  5.91           O
ATOM    875  CB  THR A  55      -8.697  -8.072  -2.150  1.00 11.15           C
ATOM    876  OG1 THR A  55      -9.459  -8.679  -1.117  1.00 11.95           O
ATOM    877  CG2 THR A  55      -8.765  -9.002  -3.373  1.00 11.71           C
ATOM      0  H   THR A  55      -6.984  -9.929  -1.359  1.00  9.05           H   new
ATOM      0  HA  THR A  55      -6.809  -7.343  -2.517  1.00  9.03           H   new
ATOM      0  HB  THR A  55      -9.091  -7.084  -2.388  1.00 11.15           H   new
ATOM      0  HG1 THR A  55     -10.344  -8.921  -1.462  1.00 11.95           H   new
ATOM      0 HG21 THR A  55      -9.802  -9.113  -3.688  1.00 11.71           H   new
ATOM      0 HG22 THR A  55      -8.182  -8.574  -4.188  1.00 11.71           H   new
ATOM      0 HG23 THR A  55      -8.359  -9.979  -3.110  1.00 11.71           H   new
ATOM    885  N   LEU A  56      -7.542  -5.846  -0.480  1.00  6.91           N
ATOM    886  CA  LEU A  56      -7.741  -4.992   0.649  1.00  8.29           C
ATOM    887  C   LEU A  56      -8.900  -5.272   1.542  1.00  8.05           C
ATOM    888  O   LEU A  56      -8.820  -5.021   2.743  1.00 10.17           O
ATOM    889  CB  LEU A  56      -7.745  -3.508   0.245  1.00  6.60           C
ATOM    890  CG  LEU A  56      -6.551  -2.810  -0.428  1.00  7.73           C
ATOM    891  CD1 LEU A  56      -7.019  -1.490  -1.063  1.00  8.64           C
ATOM    892  CD2 LEU A  56      -5.480  -2.597   0.655  1.00  9.85           C
ATOM      0  H   LEU A  56      -7.705  -5.362  -1.363  1.00  6.91           H   new
ATOM      0  HA  LEU A  56      -6.873  -5.235   1.262  1.00  8.29           H   new
ATOM      0  HB2 LEU A  56      -8.596  -3.374  -0.423  1.00  6.60           H   new
ATOM      0  HB3 LEU A  56      -7.960  -2.943   1.152  1.00  6.60           H   new
ATOM      0  HG  LEU A  56      -6.127  -3.410  -1.233  1.00  7.73           H   new
ATOM      0 HD11 LEU A  56      -6.173  -0.995  -1.540  1.00  8.64           H   new
ATOM      0 HD12 LEU A  56      -7.786  -1.697  -1.809  1.00  8.64           H   new
ATOM      0 HD13 LEU A  56      -7.431  -0.840  -0.290  1.00  8.64           H   new
ATOM      0 HD21 LEU A  56      -4.613  -2.103   0.217  1.00  9.85           H   new
ATOM      0 HD22 LEU A  56      -5.888  -1.976   1.453  1.00  9.85           H   new
ATOM      0 HD23 LEU A  56      -5.179  -3.562   1.064  1.00  9.85           H   new
ATOM    904  N   SER A  57     -10.002  -5.819   0.998  1.00  8.92           N
ATOM    905  CA  SER A  57     -11.161  -6.395   1.605  1.00  9.00           C
ATOM    906  C   SER A  57     -10.762  -7.495   2.526  1.00  9.44           C
ATOM    907  O   SER A  57     -11.345  -7.695   3.591  1.00 10.91           O
ATOM    908  CB  SER A  57     -12.110  -7.188   0.690  1.00 10.32           C
ATOM    909  OG  SER A  57     -12.823  -6.261  -0.116  1.00 13.59           O
ATOM      0  H   SER A  57     -10.085  -5.860  -0.018  1.00  8.92           H   new
ATOM      0  HA  SER A  57     -11.641  -5.510   2.022  1.00  9.00           H   new
ATOM      0  HB2 SER A  57     -11.546  -7.880   0.065  1.00 10.32           H   new
ATOM      0  HB3 SER A  57     -12.801  -7.786   1.285  1.00 10.32           H   new
ATOM      0  HG  SER A  57     -12.189  -5.718  -0.629  1.00 13.59           H   new
ATOM    915  N   ASP A  58      -9.796  -8.346   2.134  1.00  9.11           N
ATOM    916  CA  ASP A  58      -9.351  -9.492   2.864  1.00  7.91           C
ATOM    917  C   ASP A  58      -8.675  -9.190   4.157  1.00  9.12           C
ATOM    918  O   ASP A  58      -8.898  -9.822   5.189  1.00  8.61           O
ATOM    919  CB  ASP A  58      -8.405 -10.306   1.966  1.00  8.41           C
ATOM    920  CG  ASP A  58      -8.285 -11.711   2.538  1.00 11.50           C
ATOM    921  OD1 ASP A  58      -9.278 -12.486   2.518  1.00 11.70           O
ATOM    922  OD2 ASP A  58      -7.220 -12.084   3.099  1.00 10.05           O
ATOM      0  H   ASP A  58      -9.296  -8.225   1.253  1.00  9.11           H   new
ATOM      0  HA  ASP A  58     -10.246 -10.053   3.132  1.00  7.91           H   new
ATOM      0  HB2 ASP A  58      -8.790 -10.344   0.947  1.00  8.41           H   new
ATOM      0  HB3 ASP A  58      -7.425  -9.831   1.920  1.00  8.41           H   new
ATOM    927  N   TYR A  59      -7.970  -8.045   4.200  1.00  7.97           N
ATOM    928  CA  TYR A  59      -7.247  -7.492   5.303  1.00  8.45           C
ATOM    929  C   TYR A  59      -8.186  -6.749   6.189  1.00 10.98           C
ATOM    930  O   TYR A  59      -7.871  -6.692   7.377  1.00 12.95           O
ATOM    931  CB  TYR A  59      -6.150  -6.513   4.851  1.00  7.94           C
ATOM    932  CG  TYR A  59      -4.991  -7.358   4.447  1.00  6.91           C
ATOM    933  CD1 TYR A  59      -4.165  -7.963   5.364  1.00  6.98           C
ATOM    934  CD2 TYR A  59      -4.599  -7.322   3.129  1.00  4.59           C
ATOM    935  CE1 TYR A  59      -3.048  -8.670   4.986  1.00  6.52           C
ATOM    936  CE2 TYR A  59      -3.530  -8.073   2.700  1.00  5.39           C
ATOM    937  CZ  TYR A  59      -2.741  -8.685   3.645  1.00  6.76           C
ATOM    938  OH  TYR A  59      -1.598  -9.403   3.233  1.00  7.63           O
ATOM      0  H   TYR A  59      -7.901  -7.448   3.376  1.00  7.97           H   new
ATOM      0  HA  TYR A  59      -6.777  -8.325   5.826  1.00  8.45           H   new
ATOM      0  HB2 TYR A  59      -6.494  -5.898   4.019  1.00  7.94           H   new
ATOM      0  HB3 TYR A  59      -5.876  -5.834   5.658  1.00  7.94           H   new
ATOM      0  HD1 TYR A  59      -4.401  -7.880   6.415  1.00  6.98           H   new
ATOM      0  HD2 TYR A  59      -5.134  -6.700   2.427  1.00  4.59           H   new
ATOM      0  HE1 TYR A  59      -2.439  -9.191   5.710  1.00  6.52           H   new
ATOM      0  HE2 TYR A  59      -3.316  -8.179   1.647  1.00  5.39           H   new
ATOM      0  HH  TYR A  59      -1.621 -10.304   3.618  1.00  7.63           H   new
ATOM    948  N   ASN A  60      -9.224  -6.174   5.556  1.00 12.38           N
ATOM    949  CA  ASN A  60     -10.133  -5.198   6.072  1.00 13.94           C
ATOM    950  C   ASN A  60      -9.584  -3.820   6.210  1.00 14.16           C
ATOM    951  O   ASN A  60      -9.454  -3.185   7.255  1.00 14.26           O
ATOM    952  CB  ASN A  60     -10.815  -5.514   7.413  1.00 19.23           C
ATOM    953  CG  ASN A  60     -11.541  -6.851   7.388  1.00 22.65           C
ATOM    954  OD1 ASN A  60     -11.067  -7.936   7.724  1.00 25.45           O
ATOM    955  ND2 ASN A  60     -12.854  -6.682   7.076  1.00 24.09           N
ATOM      0  H   ASN A  60      -9.446  -6.417   4.591  1.00 12.38           H   new
ATOM      0  HA  ASN A  60     -10.874  -5.247   5.274  1.00 13.94           H   new
ATOM      0  HB2 ASN A  60     -10.067  -5.524   8.206  1.00 19.23           H   new
ATOM      0  HB3 ASN A  60     -11.524  -4.722   7.654  1.00 19.23           H   new
ATOM      0 HD21 ASN A  60     -13.494  -7.476   7.115  1.00 24.09           H   new
ATOM      0 HD22 ASN A  60     -13.199  -5.762   6.803  1.00 24.09           H   new
ATOM    962  N   ILE A  61      -9.131  -3.259   5.074  1.00 11.08           N
ATOM    963  CA  ILE A  61      -8.503  -1.979   4.965  1.00 11.78           C
ATOM    964  C   ILE A  61      -9.515  -1.058   4.376  1.00 13.74           C
ATOM    965  O   ILE A  61     -10.212  -1.410   3.426  1.00 14.60           O
ATOM    966  CB  ILE A  61      -7.219  -2.133   4.205  1.00 11.80           C
ATOM    967  CG1 ILE A  61      -6.307  -3.044   5.044  1.00 11.56           C
ATOM    968  CG2 ILE A  61      -6.613  -0.724   4.090  1.00 13.29           C
ATOM    969  CD1 ILE A  61      -4.954  -3.118   4.336  1.00 11.42           C
ATOM      0  H   ILE A  61      -9.209  -3.732   4.173  1.00 11.08           H   new
ATOM      0  HA  ILE A  61      -8.201  -1.542   5.916  1.00 11.78           H   new
ATOM      0  HB  ILE A  61      -7.352  -2.566   3.213  1.00 11.80           H   new
ATOM      0 HG12 ILE A  61      -6.191  -2.646   6.052  1.00 11.56           H   new
ATOM      0 HG13 ILE A  61      -6.743  -4.038   5.142  1.00 11.56           H   new
ATOM      0 HG21 ILE A  61      -5.672  -0.776   3.543  1.00 13.29           H   new
ATOM      0 HG22 ILE A  61      -7.306  -0.072   3.558  1.00 13.29           H   new
ATOM      0 HG23 ILE A  61      -6.431  -0.324   5.087  1.00 13.29           H   new
ATOM      0 HD11 ILE A  61      -4.280  -3.758   4.905  1.00 11.42           H   new
ATOM      0 HD12 ILE A  61      -5.089  -3.531   3.336  1.00 11.42           H   new
ATOM      0 HD13 ILE A  61      -4.527  -2.118   4.261  1.00 11.42           H   new
ATOM    981  N   GLN A  62      -9.619   0.153   4.953  1.00 13.97           N
ATOM    982  CA  GLN A  62     -10.783   0.982   4.921  1.00 15.52           C
ATOM    983  C   GLN A  62     -10.563   2.282   4.228  1.00 13.94           C
ATOM    984  O   GLN A  62      -9.554   2.469   3.550  1.00 12.15           O
ATOM    985  CB  GLN A  62     -11.318   1.129   6.355  1.00 19.53           C
ATOM    986  CG  GLN A  62     -11.759  -0.196   6.979  1.00 26.38           C
ATOM    987  CD  GLN A  62     -12.293   0.098   8.374  1.00 30.61           C
ATOM    988  OE1 GLN A  62     -13.440  -0.291   8.586  1.00 33.23           O
ATOM    989  NE2 GLN A  62     -11.457   0.645   9.297  1.00 32.71           N
ATOM      0  H   GLN A  62      -8.848   0.576   5.470  1.00 13.97           H   new
ATOM      0  HA  GLN A  62     -11.547   0.499   4.312  1.00 15.52           H   new
ATOM      0  HB2 GLN A  62     -10.544   1.576   6.979  1.00 19.53           H   new
ATOM      0  HB3 GLN A  62     -12.162   1.819   6.351  1.00 19.53           H   new
ATOM      0  HG2 GLN A  62     -12.528  -0.668   6.368  1.00 26.38           H   new
ATOM      0  HG3 GLN A  62     -10.921  -0.891   7.030  1.00 26.38           H   new
ATOM      0 HE21 GLN A  62     -10.519   0.939   9.025  1.00 32.71           H   new
ATOM      0 HE22 GLN A  62     -11.768   0.761  10.261  1.00 32.71           H   new
ATOM    998  N   LYS A  63     -11.482   3.260   4.320  1.00 11.73           N
ATOM    999  CA  LYS A  63     -11.267   4.610   3.898  1.00 11.97           C
ATOM   1000  C   LYS A  63     -10.570   5.373   4.971  1.00 10.41           C
ATOM   1001  O   LYS A  63     -10.861   5.242   6.159  1.00  9.59           O
ATOM   1002  CB  LYS A  63     -12.472   5.408   3.374  1.00 13.73           C
ATOM   1003  CG  LYS A  63     -13.412   5.676   4.551  1.00 16.98           C
ATOM   1004  CD  LYS A  63     -14.735   6.270   4.063  1.00 20.19           C
ATOM   1005  CE  LYS A  63     -15.818   6.199   5.141  1.00 23.42           C
ATOM   1006  NZ  LYS A  63     -17.157   6.676   4.728  1.00 25.97           N
ATOM      0  H   LYS A  63     -12.414   3.104   4.704  1.00 11.73           H   new
ATOM      0  HA  LYS A  63     -10.651   4.494   3.006  1.00 11.97           H   new
ATOM      0  HB2 LYS A  63     -12.142   6.347   2.929  1.00 13.73           H   new
ATOM      0  HB3 LYS A  63     -12.989   4.849   2.594  1.00 13.73           H   new
ATOM      0  HG2 LYS A  63     -13.601   4.748   5.090  1.00 16.98           H   new
ATOM      0  HG3 LYS A  63     -12.937   6.361   5.253  1.00 16.98           H   new
ATOM      0  HD2 LYS A  63     -14.581   7.308   3.769  1.00 20.19           H   new
ATOM      0  HD3 LYS A  63     -15.069   5.733   3.175  1.00 20.19           H   new
ATOM      0  HE2 LYS A  63     -15.906   5.165   5.476  1.00 23.42           H   new
ATOM      0  HE3 LYS A  63     -15.491   6.785   6.000  1.00 23.42           H   new
ATOM      0  HZ1 LYS A  63     -17.818   6.588   5.526  1.00 25.97           H   new
ATOM      0  HZ2 LYS A  63     -17.096   7.673   4.438  1.00 25.97           H   new
ATOM      0  HZ3 LYS A  63     -17.499   6.103   3.930  1.00 25.97           H   new
ATOM   1020  N   GLU A  64      -9.546   6.136   4.550  1.00 10.04           N
ATOM   1021  CA  GLU A  64      -8.678   6.911   5.382  1.00 10.94           C
ATOM   1022  C   GLU A  64      -7.767   6.094   6.232  1.00  9.74           C
ATOM   1023  O   GLU A  64      -7.453   6.339   7.395  1.00  9.42           O
ATOM   1024  CB  GLU A  64      -9.363   8.004   6.219  1.00 18.31           C
ATOM   1025  CG  GLU A  64      -9.910   9.204   5.444  1.00 24.16           C
ATOM   1026  CD  GLU A  64     -10.795  10.159   6.231  1.00 29.00           C
ATOM   1027  OE1 GLU A  64     -10.379  10.722   7.279  1.00 32.61           O
ATOM   1028  OE2 GLU A  64     -11.916  10.382   5.701  1.00 31.72           O
ATOM      0  H   GLU A  64      -9.309   6.217   3.561  1.00 10.04           H   new
ATOM      0  HA  GLU A  64      -8.069   7.435   4.645  1.00 10.94           H   new
ATOM      0  HB2 GLU A  64     -10.185   7.548   6.770  1.00 18.31           H   new
ATOM      0  HB3 GLU A  64      -8.648   8.369   6.957  1.00 18.31           H   new
ATOM      0  HG2 GLU A  64      -9.067   9.768   5.044  1.00 24.16           H   new
ATOM      0  HG3 GLU A  64     -10.479   8.832   4.592  1.00 24.16           H   new
ATOM   1035  N   SER A  65      -7.293   4.994   5.620  1.00  6.85           N
ATOM   1036  CA  SER A  65      -6.508   4.018   6.310  1.00  6.90           C
ATOM   1037  C   SER A  65      -5.076   4.295   6.010  1.00  4.72           C
ATOM   1038  O   SER A  65      -4.647   4.564   4.889  1.00  3.91           O
ATOM   1039  CB  SER A  65      -6.760   2.574   5.843  1.00  7.28           C
ATOM   1040  OG  SER A  65      -8.016   2.070   6.272  1.00 10.56           O
ATOM      0  H   SER A  65      -7.456   4.779   4.636  1.00  6.85           H   new
ATOM      0  HA  SER A  65      -6.774   4.093   7.364  1.00  6.90           H   new
ATOM      0  HB2 SER A  65      -6.710   2.535   4.755  1.00  7.28           H   new
ATOM      0  HB3 SER A  65      -5.966   1.930   6.222  1.00  7.28           H   new
ATOM      0  HG  SER A  65      -7.876   1.379   6.952  1.00 10.56           H   new
ATOM   1046  N   THR A  66      -4.242   4.283   7.066  1.00  4.48           N
ATOM   1047  CA  THR A  66      -2.868   4.654   6.925  1.00  3.80           C
ATOM   1048  C   THR A  66      -2.003   3.456   6.734  1.00  4.60           C
ATOM   1049  O   THR A  66      -2.113   2.448   7.430  1.00  5.33           O
ATOM   1050  CB  THR A  66      -2.315   5.231   8.194  1.00  2.85           C
ATOM   1051  OG1 THR A  66      -3.213   6.213   8.689  1.00  2.15           O
ATOM   1052  CG2 THR A  66      -0.976   5.917   7.873  1.00  3.40           C
ATOM      0  H   THR A  66      -4.517   4.018   8.012  1.00  4.48           H   new
ATOM      0  HA  THR A  66      -2.856   5.351   6.087  1.00  3.80           H   new
ATOM      0  HB  THR A  66      -2.178   4.442   8.934  1.00  2.85           H   new
ATOM      0  HG1 THR A  66      -2.857   6.592   9.520  1.00  2.15           H   new
ATOM      0 HG21 THR A  66      -0.558   6.343   8.785  1.00  3.40           H   new
ATOM      0 HG22 THR A  66      -0.281   5.184   7.463  1.00  3.40           H   new
ATOM      0 HG23 THR A  66      -1.139   6.710   7.143  1.00  3.40           H   new
ATOM   1060  N   LEU A  67      -1.229   3.406   5.635  1.00  4.17           N
ATOM   1061  CA  LEU A  67      -0.321   2.400   5.181  1.00  3.85           C
ATOM   1062  C   LEU A  67       1.070   2.917   5.320  1.00  3.80           C
ATOM   1063  O   LEU A  67       1.265   4.055   4.895  1.00  5.54           O
ATOM   1064  CB  LEU A  67      -0.611   1.933   3.744  1.00  7.18           C
ATOM   1065  CG  LEU A  67      -1.879   1.131   3.405  1.00  9.67           C
ATOM   1066  CD1 LEU A  67      -3.201   1.913   3.474  1.00 11.66           C
ATOM   1067  CD2 LEU A  67      -1.633   0.502   2.022  1.00  8.12           C
ATOM      0  H   LEU A  67      -1.248   4.184   4.976  1.00  4.17           H   new
ATOM      0  HA  LEU A  67      -0.451   1.513   5.802  1.00  3.85           H   new
ATOM      0  HB2 LEU A  67      -0.621   2.824   3.116  1.00  7.18           H   new
ATOM      0  HB3 LEU A  67       0.240   1.330   3.428  1.00  7.18           H   new
ATOM      0  HG  LEU A  67      -2.030   0.375   4.176  1.00  9.67           H   new
ATOM      0 HD11 LEU A  67      -4.029   1.252   3.217  1.00 11.66           H   new
ATOM      0 HD12 LEU A  67      -3.344   2.297   4.484  1.00 11.66           H   new
ATOM      0 HD13 LEU A  67      -3.169   2.745   2.770  1.00 11.66           H   new
ATOM      0 HD21 LEU A  67      -2.505  -0.082   1.728  1.00  8.12           H   new
ATOM      0 HD22 LEU A  67      -1.461   1.290   1.289  1.00  8.12           H   new
ATOM      0 HD23 LEU A  67      -0.759  -0.148   2.068  1.00  8.12           H   new
ATOM   1079  N   HIS A  68       2.040   2.171   5.877  1.00  2.94           N
ATOM   1080  CA  HIS A  68       3.369   2.634   6.132  1.00  4.17           C
ATOM   1081  C   HIS A  68       4.348   2.097   5.145  1.00  5.32           C
ATOM   1082  O   HIS A  68       4.666   0.909   5.163  1.00  7.70           O
ATOM   1083  CB  HIS A  68       3.683   2.340   7.608  1.00  5.57           C
ATOM   1084  CG  HIS A  68       2.678   2.994   8.510  1.00  9.95           C
ATOM   1085  ND1 HIS A  68       2.599   4.365   8.646  1.00 13.74           N
ATOM   1086  CD2 HIS A  68       1.896   2.535   9.523  1.00 12.79           C
ATOM   1087  CE1 HIS A  68       1.733   4.655   9.654  1.00 14.75           C
ATOM   1088  NE2 HIS A  68       1.293   3.553  10.233  1.00 16.30           N
ATOM      0  H   HIS A  68       1.892   1.203   6.162  1.00  2.94           H   new
ATOM      0  HA  HIS A  68       3.453   3.711   5.985  1.00  4.17           H   new
ATOM      0  HB2 HIS A  68       3.682   1.263   7.777  1.00  5.57           H   new
ATOM      0  HB3 HIS A  68       4.683   2.700   7.850  1.00  5.57           H   new
ATOM      0  HD2 HIS A  68       1.761   1.487   9.748  1.00 12.79           H   new
ATOM      0  HE1 HIS A  68       1.444   5.655   9.943  1.00 14.75           H   new
ATOM      0  HE2 HIS A  68       0.654   3.473  11.024  1.00 16.30           H   new
ATOM   1096  N   LEU A  69       4.834   2.911   4.190  1.00  5.29           N
ATOM   1097  CA  LEU A  69       5.764   2.601   3.149  1.00  3.97           C
ATOM   1098  C   LEU A  69       7.165   2.587   3.658  1.00  5.07           C
ATOM   1099  O   LEU A  69       7.662   3.542   4.253  1.00  4.34           O
ATOM   1100  CB  LEU A  69       5.601   3.518   1.926  1.00  6.08           C
ATOM   1101  CG  LEU A  69       6.344   3.063   0.658  1.00  7.37           C
ATOM   1102  CD1 LEU A  69       5.567   3.537  -0.581  1.00  9.96           C
ATOM   1103  CD2 LEU A  69       7.794   3.540   0.473  1.00  6.87           C
ATOM      0  H   LEU A  69       4.543   3.888   4.146  1.00  5.29           H   new
ATOM      0  HA  LEU A  69       5.534   1.592   2.805  1.00  3.97           H   new
ATOM      0  HB2 LEU A  69       4.539   3.602   1.694  1.00  6.08           H   new
ATOM      0  HB3 LEU A  69       5.949   4.516   2.192  1.00  6.08           H   new
ATOM      0  HG  LEU A  69       6.398   1.981   0.779  1.00  7.37           H   new
ATOM      0 HD11 LEU A  69       6.089   3.217  -1.483  1.00  9.96           H   new
ATOM      0 HD12 LEU A  69       4.566   3.106  -0.570  1.00  9.96           H   new
ATOM      0 HD13 LEU A  69       5.494   4.625  -0.571  1.00  9.96           H   new
ATOM      0 HD21 LEU A  69       8.191   3.144  -0.462  1.00  6.87           H   new
ATOM      0 HD22 LEU A  69       7.818   4.629   0.444  1.00  6.87           H   new
ATOM      0 HD23 LEU A  69       8.403   3.186   1.305  1.00  6.87           H   new
ATOM   1115  N   VAL A  70       7.820   1.423   3.502  1.00  4.29           N
ATOM   1116  CA  VAL A  70       9.119   1.177   4.046  1.00  6.26           C
ATOM   1117  C   VAL A  70       9.923   0.726   2.875  1.00  9.22           C
ATOM   1118  O   VAL A  70       9.500   0.495   1.744  1.00  9.36           O
ATOM   1119  CB  VAL A  70       9.154   0.198   5.182  1.00  8.69           C
ATOM   1120  CG1 VAL A  70       8.552   0.890   6.417  1.00  9.76           C
ATOM   1121  CG2 VAL A  70       8.384  -1.055   4.733  1.00  8.54           C
ATOM      0  H   VAL A  70       7.436   0.632   2.984  1.00  4.29           H   new
ATOM      0  HA  VAL A  70       9.516   2.077   4.516  1.00  6.26           H   new
ATOM      0  HB  VAL A  70      10.161  -0.118   5.453  1.00  8.69           H   new
ATOM      0 HG11 VAL A  70       8.564   0.201   7.262  1.00  9.76           H   new
ATOM      0 HG12 VAL A  70       9.140   1.774   6.662  1.00  9.76           H   new
ATOM      0 HG13 VAL A  70       7.525   1.185   6.204  1.00  9.76           H   new
ATOM      0 HG21 VAL A  70       8.388  -1.792   5.536  1.00  8.54           H   new
ATOM      0 HG22 VAL A  70       7.356  -0.784   4.494  1.00  8.54           H   new
ATOM      0 HG23 VAL A  70       8.862  -1.479   3.850  1.00  8.54           H   new
ATOM   1131  N   LEU A  71      11.235   0.558   3.121  1.00 12.71           N
ATOM   1132  CA  LEU A  71      12.129   0.016   2.145  1.00 16.06           C
ATOM   1133  C   LEU A  71      12.115  -1.473   2.200  1.00 18.09           C
ATOM   1134  O   LEU A  71      12.240  -2.090   3.256  1.00 19.26           O
ATOM   1135  CB  LEU A  71      13.541   0.560   2.419  1.00 17.10           C
ATOM   1136  CG  LEU A  71      14.505   0.432   1.227  1.00 19.37           C
ATOM   1137  CD1 LEU A  71      14.078   1.090  -0.096  1.00 19.57           C
ATOM   1138  CD2 LEU A  71      15.909   0.940   1.598  1.00 17.51           C
ATOM      0  H   LEU A  71      11.680   0.801   4.006  1.00 12.71           H   new
ATOM      0  HA  LEU A  71      11.813   0.313   1.145  1.00 16.06           H   new
ATOM      0  HB2 LEU A  71      13.466   1.610   2.701  1.00 17.10           H   new
ATOM      0  HB3 LEU A  71      13.964   0.030   3.273  1.00 17.10           H   new
ATOM      0  HG  LEU A  71      14.494  -0.640   1.028  1.00 19.37           H   new
ATOM      0 HD11 LEU A  71      14.847   0.924  -0.850  1.00 19.57           H   new
ATOM      0 HD12 LEU A  71      13.139   0.652  -0.434  1.00 19.57           H   new
ATOM      0 HD13 LEU A  71      13.945   2.161   0.057  1.00 19.57           H   new
ATOM      0 HD21 LEU A  71      16.572   0.839   0.738  1.00 17.51           H   new
ATOM      0 HD22 LEU A  71      15.851   1.989   1.890  1.00 17.51           H   new
ATOM      0 HD23 LEU A  71      16.300   0.353   2.429  1.00 17.51           H   new