USER  MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18
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 Single : A   1 MET CE  :methyl -170:sc=       0   (180deg=-0.0839)
USER  MOD Single : A   1 MET N   :NH3+   -177:sc=    1.31   (180deg=1.2)
USER  MOD Single : A   2 GLN     :      amide:sc=       0  K(o=0,f=-2.7!)
USER  MOD Single : A   6 LYS NZ  :NH3+   -170:sc= -0.0111   (180deg=-0.118)
USER  MOD Single : A   7 THR OG1 :   rot  180:sc=   0.586
USER  MOD Single : A   9 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  11 LYS NZ  :NH3+    166:sc=    0.52   (180deg=0.269)
USER  MOD Single : A  12 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  14 THR OG1 :   rot  -96:sc=    0.12
USER  MOD Single : A  20 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  22 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  25 ASN     :      amide:sc=-0.00925  X(o=-0.0092,f=0)
USER  MOD Single : A  27 LYS NZ  :NH3+   -164:sc=    1.12   (180deg=1.03)
USER  MOD Single : A  29 LYS NZ  :NH3+    177:sc=       0   (180deg=-0.00944)
USER  MOD Single : A  31 GLN     :      amide:sc=       0  X(o=0,f=-0.22)
USER  MOD Single : A  33 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  40 GLN     :      amide:sc= -0.0661  X(o=-0.066,f=0)
USER  MOD Single : A  41 GLN     :      amide:sc=   0.288  K(o=0.29,f=-1.2)
USER  MOD Single : A  48 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  49 GLN     :      amide:sc=   0.558  K(o=0.56,f=-3.4!)
USER  MOD Single : A  55 THR OG1 :   rot  180:sc=   0.297
USER  MOD Single : A  57 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  59 TYR OH  :   rot   60:sc=   0.674
USER  MOD Single : A  60 ASN     :      amide:sc= -0.0903  X(o=-0.09,f=0)
USER  MOD Single : A  62 GLN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A  63 LYS NZ  :NH3+    179:sc=       0   (180deg=-0.00114)
USER  MOD Single : A  65 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  66 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  68 HIS     :     no HD1:sc= -0.0727  K(o=-0.073,f=-0.82)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   MET A   1     -11.939   6.143  -2.813  1.00  9.67           N
ATOM      2  CA  MET A   1     -11.563   6.662  -1.479  1.00 10.38           C
ATOM      3  C   MET A   1     -10.101   6.939  -1.410  1.00  9.62           C
ATOM      4  O   MET A   1      -9.312   6.418  -2.195  1.00  9.62           O
ATOM      5  CB  MET A   1     -11.863   5.669  -0.343  1.00 13.77           C
ATOM      6  CG  MET A   1     -11.152   4.315  -0.297  1.00 16.29           C
ATOM      7  SD  MET A   1     -11.116   3.483   1.319  1.00 17.17           S
ATOM      8  CE  MET A   1     -10.379   1.914   0.780  1.00 16.11           C
ATOM      0  H1  MET A   1     -12.969   6.005  -2.854  1.00  9.67           H   new
ATOM      0  H2  MET A   1     -11.651   6.824  -3.544  1.00  9.67           H   new
ATOM      0  H3  MET A   1     -11.461   5.234  -2.979  1.00  9.67           H   new
ATOM      0  HA  MET A   1     -12.157   7.566  -1.349  1.00 10.38           H   new
ATOM      0  HB2 MET A   1     -11.649   6.178   0.597  1.00 13.77           H   new
ATOM      0  HB3 MET A   1     -12.935   5.471  -0.361  1.00 13.77           H   new
ATOM      0  HG2 MET A   1     -11.634   3.650  -1.014  1.00 16.29           H   new
ATOM      0  HG3 MET A   1     -10.125   4.456  -0.633  1.00 16.29           H   new
ATOM      0  HE1 MET A   1     -10.432   1.189   1.592  1.00 16.11           H   new
ATOM      0  HE2 MET A   1     -10.925   1.533  -0.083  1.00 16.11           H   new
ATOM      0  HE3 MET A   1      -9.337   2.077   0.506  1.00 16.11           H   new
ATOM     20  N   GLN A   2      -9.675   7.821  -0.488  1.00  9.27           N
ATOM     21  CA  GLN A   2      -8.273   7.967  -0.247  1.00  9.07           C
ATOM     22  C   GLN A   2      -7.836   7.013   0.811  1.00  8.72           C
ATOM     23  O   GLN A   2      -8.513   6.710   1.792  1.00  8.22           O
ATOM     24  CB  GLN A   2      -7.901   9.431   0.039  1.00 14.46           C
ATOM     25  CG  GLN A   2      -8.326  10.210  -1.208  1.00 17.01           C
ATOM     26  CD  GLN A   2      -8.033  11.672  -0.904  1.00 20.10           C
ATOM     27  OE1 GLN A   2      -7.414  11.934   0.126  1.00 21.89           O
ATOM     28  NE2 GLN A   2      -8.556  12.525  -1.825  1.00 19.49           N
ATOM      0  H   GLN A   2     -10.281   8.417   0.076  1.00  9.27           H   new
ATOM      0  HA  GLN A   2      -7.721   7.706  -1.150  1.00  9.07           H   new
ATOM      0  HB2 GLN A   2      -8.414   9.800   0.927  1.00 14.46           H   new
ATOM      0  HB3 GLN A   2      -6.832   9.536   0.222  1.00 14.46           H   new
ATOM      0  HG2 GLN A   2      -7.773   9.875  -2.086  1.00 17.01           H   new
ATOM      0  HG3 GLN A   2      -9.384  10.059  -1.421  1.00 17.01           H   new
ATOM      0 HE21 GLN A   2      -9.049  12.157  -2.638  1.00 19.49           H   new
ATOM      0 HE22 GLN A   2      -8.455  13.533  -1.702  1.00 19.49           H   new
ATOM     37  N   ILE A   3      -6.549   6.634   0.716  1.00  5.87           N
ATOM     38  CA  ILE A   3      -5.677   6.166   1.748  1.00  5.07           C
ATOM     39  C   ILE A   3      -4.432   6.986   1.754  1.00  4.01           C
ATOM     40  O   ILE A   3      -4.143   7.685   0.784  1.00  4.61           O
ATOM     41  CB  ILE A   3      -5.326   4.712   1.637  1.00  6.55           C
ATOM     42  CG1 ILE A   3      -4.635   4.493   0.281  1.00  4.72           C
ATOM     43  CG2 ILE A   3      -6.630   3.931   1.873  1.00  5.58           C
ATOM     44  CD1 ILE A   3      -4.475   2.989   0.062  1.00 10.83           C
ATOM      0  H   ILE A   3      -6.070   6.660  -0.184  1.00  5.87           H   new
ATOM      0  HA  ILE A   3      -6.221   6.275   2.686  1.00  5.07           H   new
ATOM      0  HB  ILE A   3      -4.611   4.351   2.377  1.00  6.55           H   new
ATOM      0 HG12 ILE A   3      -5.226   4.933  -0.522  1.00  4.72           H   new
ATOM      0 HG13 ILE A   3      -3.662   4.985   0.267  1.00  4.72           H   new
ATOM      0 HG21 ILE A   3      -6.431   2.862   1.803  1.00  5.58           H   new
ATOM      0 HG22 ILE A   3      -7.019   4.164   2.864  1.00  5.58           H   new
ATOM      0 HG23 ILE A   3      -7.365   4.214   1.119  1.00  5.58           H   new
ATOM      0 HD11 ILE A   3      -3.986   2.811  -0.896  1.00 10.83           H   new
ATOM      0 HD12 ILE A   3      -3.868   2.567   0.863  1.00 10.83           H   new
ATOM      0 HD13 ILE A   3      -5.456   2.515   0.062  1.00 10.83           H   new
ATOM     56  N   PHE A   4      -3.596   6.848   2.798  1.00  4.55           N
ATOM     57  CA  PHE A   4      -2.236   7.289   2.838  1.00  4.68           C
ATOM     58  C   PHE A   4      -1.311   6.142   3.054  1.00  5.30           C
ATOM     59  O   PHE A   4      -1.619   5.121   3.668  1.00  5.58           O
ATOM     60  CB  PHE A   4      -2.016   8.384   3.896  1.00  4.83           C
ATOM     61  CG  PHE A   4      -3.134   9.361   4.027  1.00  7.97           C
ATOM     62  CD1 PHE A   4      -3.249  10.334   3.063  1.00  8.34           C
ATOM     63  CD2 PHE A   4      -4.023   9.249   5.071  1.00  6.69           C
ATOM     64  CE1 PHE A   4      -4.303  11.216   3.123  1.00 10.61           C
ATOM     65  CE2 PHE A   4      -4.943  10.261   5.213  1.00  9.10           C
ATOM     66  CZ  PHE A   4      -5.128  11.197   4.223  1.00  8.90           C
ATOM      0  H   PHE A   4      -3.888   6.401   3.667  1.00  4.55           H   new
ATOM      0  HA  PHE A   4      -2.011   7.731   1.868  1.00  4.68           H   new
ATOM      0  HB2 PHE A   4      -1.853   7.908   4.863  1.00  4.83           H   new
ATOM      0  HB3 PHE A   4      -1.104   8.928   3.651  1.00  4.83           H   new
ATOM      0  HD1 PHE A   4      -2.521  10.405   2.268  1.00  8.34           H   new
ATOM      0  HD2 PHE A   4      -3.999   8.407   5.747  1.00  6.69           H   new
ATOM      0  HE1 PHE A   4      -4.480  11.913   2.318  1.00 10.61           H   new
ATOM      0  HE2 PHE A   4      -5.530  10.322   6.117  1.00  9.10           H   new
ATOM      0  HZ  PHE A   4      -5.925  11.921   4.310  1.00  8.90           H   new
ATOM     76  N   VAL A   5      -0.098   6.153   2.473  1.00  4.44           N
ATOM     77  CA  VAL A   5       0.940   5.222   2.787  1.00  3.87           C
ATOM     78  C   VAL A   5       2.101   5.992   3.317  1.00  4.93           C
ATOM     79  O   VAL A   5       2.572   6.874   2.600  1.00  6.84           O
ATOM     80  CB  VAL A   5       1.324   4.309   1.661  1.00  2.99           C
ATOM     81  CG1 VAL A   5       2.178   3.116   2.121  1.00  5.28           C
ATOM     82  CG2 VAL A   5      -0.007   3.737   1.144  1.00  9.13           C
ATOM      0  H   VAL A   5       0.169   6.833   1.761  1.00  4.44           H   new
ATOM      0  HA  VAL A   5       0.560   4.535   3.543  1.00  3.87           H   new
ATOM      0  HB  VAL A   5       1.907   4.864   0.926  1.00  2.99           H   new
ATOM      0 HG11 VAL A   5       2.424   2.492   1.262  1.00  5.28           H   new
ATOM      0 HG12 VAL A   5       3.097   3.482   2.579  1.00  5.28           H   new
ATOM      0 HG13 VAL A   5       1.619   2.528   2.849  1.00  5.28           H   new
ATOM      0 HG21 VAL A   5       0.187   3.056   0.315  1.00  9.13           H   new
ATOM      0 HG22 VAL A   5      -0.508   3.197   1.948  1.00  9.13           H   new
ATOM      0 HG23 VAL A   5      -0.645   4.552   0.802  1.00  9.13           H   new
ATOM     92  N   LYS A   6       2.585   5.685   4.534  1.00  6.04           N
ATOM     93  CA  LYS A   6       3.741   6.310   5.097  1.00  6.12           C
ATOM     94  C   LYS A   6       4.953   5.500   4.785  1.00  6.57           C
ATOM     95  O   LYS A   6       5.204   4.363   5.183  1.00  5.76           O
ATOM     96  CB  LYS A   6       3.593   6.370   6.626  1.00  7.45           C
ATOM     97  CG  LYS A   6       4.673   7.300   7.181  1.00 11.12           C
ATOM     98  CD  LYS A   6       4.834   7.197   8.699  1.00 14.54           C
ATOM     99  CE  LYS A   6       3.718   7.797   9.556  1.00 18.84           C
ATOM    100  NZ  LYS A   6       3.579   9.248   9.296  1.00 20.55           N
ATOM      0  H   LYS A   6       2.161   4.984   5.142  1.00  6.04           H   new
ATOM      0  HA  LYS A   6       3.839   7.312   4.680  1.00  6.12           H   new
ATOM      0  HB2 LYS A   6       2.602   6.735   6.897  1.00  7.45           H   new
ATOM      0  HB3 LYS A   6       3.694   5.373   7.056  1.00  7.45           H   new
ATOM      0  HG2 LYS A   6       5.625   7.066   6.704  1.00 11.12           H   new
ATOM      0  HG3 LYS A   6       4.428   8.329   6.917  1.00 11.12           H   new
ATOM      0  HD2 LYS A   6       4.932   6.143   8.959  1.00 14.54           H   new
ATOM      0  HD3 LYS A   6       5.771   7.681   8.974  1.00 14.54           H   new
ATOM      0  HE2 LYS A   6       2.776   7.292   9.340  1.00 18.84           H   new
ATOM      0  HE3 LYS A   6       3.934   7.631  10.611  1.00 18.84           H   new
ATOM      0  HZ1 LYS A   6       2.940   9.667  10.001  1.00 20.55           H   new
ATOM      0  HZ2 LYS A   6       4.512   9.703   9.360  1.00 20.55           H   new
ATOM      0  HZ3 LYS A   6       3.187   9.394   8.344  1.00 20.55           H   new
ATOM    114  N   THR A   7       5.943   6.095   4.098  1.00  7.41           N
ATOM    115  CA  THR A   7       7.098   5.389   3.635  1.00  7.48           C
ATOM    116  C   THR A   7       8.079   5.159   4.733  1.00  8.75           C
ATOM    117  O   THR A   7       7.866   5.371   5.926  1.00  8.58           O
ATOM    118  CB  THR A   7       7.735   6.049   2.448  1.00  9.61           C
ATOM    119  OG1 THR A   7       8.400   7.286   2.656  1.00 11.78           O
ATOM    120  CG2 THR A   7       6.640   6.309   1.400  1.00  9.17           C
ATOM      0  H   THR A   7       5.942   7.087   3.859  1.00  7.41           H   new
ATOM      0  HA  THR A   7       6.752   4.412   3.297  1.00  7.48           H   new
ATOM      0  HB  THR A   7       8.515   5.348   2.149  1.00  9.61           H   new
ATOM      0  HG1 THR A   7       8.770   7.605   1.807  1.00 11.78           H   new
ATOM      0 HG21 THR A   7       7.080   6.789   0.526  1.00  9.17           H   new
ATOM      0 HG22 THR A   7       6.187   5.363   1.105  1.00  9.17           H   new
ATOM      0 HG23 THR A   7       5.876   6.960   1.826  1.00  9.17           H   new
ATOM    128  N   LEU A   8       9.272   4.570   4.535  1.00  9.84           N
ATOM    129  CA  LEU A   8      10.215   4.244   5.559  1.00 14.15           C
ATOM    130  C   LEU A   8      11.062   5.399   5.971  1.00 17.37           C
ATOM    131  O   LEU A   8      11.313   5.669   7.145  1.00 17.01           O
ATOM    132  CB  LEU A   8      11.093   3.066   5.105  1.00 16.63           C
ATOM    133  CG  LEU A   8      12.163   2.572   6.092  1.00 18.88           C
ATOM    134  CD1 LEU A   8      11.559   2.224   7.463  1.00 18.59           C
ATOM    135  CD2 LEU A   8      12.891   1.337   5.532  1.00 19.31           C
ATOM      0  H   LEU A   8       9.597   4.306   3.605  1.00  9.84           H   new
ATOM      0  HA  LEU A   8       9.640   3.960   6.440  1.00 14.15           H   new
ATOM      0  HB2 LEU A   8      10.438   2.227   4.867  1.00 16.63           H   new
ATOM      0  HB3 LEU A   8      11.592   3.353   4.180  1.00 16.63           H   new
ATOM      0  HG  LEU A   8      12.873   3.388   6.224  1.00 18.88           H   new
ATOM      0 HD11 LEU A   8      12.348   1.879   8.131  1.00 18.59           H   new
ATOM      0 HD12 LEU A   8      11.085   3.109   7.887  1.00 18.59           H   new
ATOM      0 HD13 LEU A   8      10.815   1.437   7.343  1.00 18.59           H   new
ATOM      0 HD21 LEU A   8      13.644   1.004   6.246  1.00 19.31           H   new
ATOM      0 HD22 LEU A   8      12.171   0.536   5.363  1.00 19.31           H   new
ATOM      0 HD23 LEU A   8      13.374   1.596   4.590  1.00 19.31           H   new
ATOM    147  N   THR A   9      11.394   6.281   5.011  1.00 18.33           N
ATOM    148  CA  THR A   9      12.315   7.351   5.239  1.00 19.24           C
ATOM    149  C   THR A   9      11.525   8.506   5.753  1.00 19.48           C
ATOM    150  O   THR A   9      12.076   9.314   6.499  1.00 23.14           O
ATOM    151  CB  THR A   9      13.124   7.720   4.031  1.00 18.97           C
ATOM    152  OG1 THR A   9      12.308   7.970   2.896  1.00 20.24           O
ATOM    153  CG2 THR A   9      14.210   6.682   3.703  1.00 19.70           C
ATOM      0  H   THR A   9      11.018   6.251   4.063  1.00 18.33           H   new
ATOM      0  HA  THR A   9      13.060   7.031   5.967  1.00 19.24           H   new
ATOM      0  HB  THR A   9      13.632   8.649   4.289  1.00 18.97           H   new
ATOM      0  HG1 THR A   9      12.874   8.208   2.132  1.00 20.24           H   new
ATOM      0 HG21 THR A   9      14.764   7.001   2.820  1.00 19.70           H   new
ATOM      0 HG22 THR A   9      14.894   6.592   4.547  1.00 19.70           H   new
ATOM      0 HG23 THR A   9      13.743   5.716   3.509  1.00 19.70           H   new
ATOM    161  N   GLY A  10      10.224   8.603   5.425  1.00 19.43           N
ATOM    162  CA  GLY A  10       9.315   9.490   6.082  1.00 18.74           C
ATOM    163  C   GLY A  10       8.594  10.393   5.141  1.00 17.62           C
ATOM    164  O   GLY A  10       8.385  11.567   5.443  1.00 19.74           O
ATOM      0  H   GLY A  10       9.793   8.050   4.684  1.00 19.43           H   new
ATOM      0  HA2 GLY A  10       8.587   8.904   6.643  1.00 18.74           H   new
ATOM      0  HA3 GLY A  10       9.864  10.093   6.805  1.00 18.74           H   new
ATOM    168  N   LYS A  11       8.035   9.865   4.038  1.00 13.56           N
ATOM    169  CA  LYS A  11       7.143  10.578   3.178  1.00 11.91           C
ATOM    170  C   LYS A  11       5.791   9.964   3.304  1.00 10.18           C
ATOM    171  O   LYS A  11       5.724   8.766   3.573  1.00  9.10           O
ATOM    172  CB  LYS A  11       7.607  10.614   1.713  1.00 13.43           C
ATOM    173  CG  LYS A  11       6.679  11.379   0.767  1.00 16.69           C
ATOM    174  CD  LYS A  11       7.290  11.596  -0.619  1.00 17.92           C
ATOM    175  CE  LYS A  11       6.436  12.434  -1.573  1.00 20.81           C
ATOM    176  NZ  LYS A  11       7.103  12.605  -2.884  1.00 21.93           N
ATOM      0  H   LYS A  11       8.210   8.907   3.734  1.00 13.56           H   new
ATOM      0  HA  LYS A  11       7.121  11.622   3.492  1.00 11.91           H   new
ATOM      0  HB2 LYS A  11       8.598  11.065   1.671  1.00 13.43           H   new
ATOM      0  HB3 LYS A  11       7.707   9.590   1.353  1.00 13.43           H   new
ATOM      0  HG2 LYS A  11       5.742  10.832   0.664  1.00 16.69           H   new
ATOM      0  HG3 LYS A  11       6.437  12.346   1.207  1.00 16.69           H   new
ATOM      0  HD2 LYS A  11       8.260  12.080  -0.501  1.00 17.92           H   new
ATOM      0  HD3 LYS A  11       7.473  10.624  -1.076  1.00 17.92           H   new
ATOM      0  HE2 LYS A  11       5.468  11.953  -1.715  1.00 20.81           H   new
ATOM      0  HE3 LYS A  11       6.245  13.411  -1.130  1.00 20.81           H   new
ATOM      0  HZ1 LYS A  11       6.417  12.964  -3.578  1.00 21.93           H   new
ATOM      0  HZ2 LYS A  11       7.887  13.282  -2.789  1.00 21.93           H   new
ATOM      0  HZ3 LYS A  11       7.475  11.689  -3.207  1.00 21.93           H   new
ATOM    190  N   THR A  12       4.751  10.811   3.204  1.00  9.63           N
ATOM    191  CA  THR A  12       3.411  10.313   3.227  1.00  9.85           C
ATOM    192  C   THR A  12       2.854  10.517   1.861  1.00 11.66           C
ATOM    193  O   THR A  12       2.916  11.608   1.296  1.00 12.33           O
ATOM    194  CB  THR A  12       2.512  10.932   4.256  1.00 10.85           C
ATOM    195  OG1 THR A  12       3.189  10.724   5.487  1.00 10.91           O
ATOM    196  CG2 THR A  12       1.139  10.240   4.295  1.00  9.63           C
ATOM      0  H   THR A  12       4.834  11.823   3.109  1.00  9.63           H   new
ATOM      0  HA  THR A  12       3.453   9.263   3.516  1.00  9.85           H   new
ATOM      0  HB  THR A  12       2.321  11.983   4.041  1.00 10.85           H   new
ATOM      0  HG1 THR A  12       2.661  11.106   6.219  1.00 10.91           H   new
ATOM      0 HG21 THR A  12       0.514  10.714   5.052  1.00  9.63           H   new
ATOM      0 HG22 THR A  12       0.659  10.328   3.320  1.00  9.63           H   new
ATOM      0 HG23 THR A  12       1.270   9.186   4.541  1.00  9.63           H   new
ATOM    204  N   ILE A  13       2.376   9.436   1.219  1.00 10.42           N
ATOM    205  CA  ILE A  13       1.768   9.539  -0.072  1.00 11.84           C
ATOM    206  C   ILE A  13       0.301   9.283  -0.069  1.00 10.55           C
ATOM    207  O   ILE A  13      -0.204   8.434   0.664  1.00 11.92           O
ATOM    208  CB  ILE A  13       2.516   8.772  -1.122  1.00 14.86           C
ATOM    209  CG1 ILE A  13       2.530   7.236  -1.043  1.00 14.87           C
ATOM    210  CG2 ILE A  13       3.959   9.300  -1.057  1.00 17.08           C
ATOM    211  CD1 ILE A  13       3.304   6.558  -2.172  1.00 16.46           C
ATOM      0  H   ILE A  13       2.411   8.488   1.595  1.00 10.42           H   new
ATOM      0  HA  ILE A  13       1.853  10.588  -0.356  1.00 11.84           H   new
ATOM      0  HB  ILE A  13       1.986   8.942  -2.059  1.00 14.86           H   new
ATOM      0 HG12 ILE A  13       2.964   6.936  -0.089  1.00 14.87           H   new
ATOM      0 HG13 ILE A  13       1.502   6.873  -1.053  1.00 14.87           H   new
ATOM      0 HG21 ILE A  13       4.569   8.784  -1.799  1.00 17.08           H   new
ATOM      0 HG22 ILE A  13       3.964  10.370  -1.263  1.00 17.08           H   new
ATOM      0 HG23 ILE A  13       4.368   9.120  -0.063  1.00 17.08           H   new
ATOM      0 HD11 ILE A  13       3.265   5.477  -2.042  1.00 16.46           H   new
ATOM      0 HD12 ILE A  13       2.858   6.825  -3.130  1.00 16.46           H   new
ATOM      0 HD13 ILE A  13       4.342   6.888  -2.151  1.00 16.46           H   new
ATOM    223  N   THR A  14      -0.562   9.972  -0.837  1.00  9.39           N
ATOM    224  CA  THR A  14      -1.987   9.855  -0.811  1.00  9.63           C
ATOM    225  C   THR A  14      -2.494   9.216  -2.057  1.00 11.20           C
ATOM    226  O   THR A  14      -2.331   9.759  -3.149  1.00 11.63           O
ATOM    227  CB  THR A  14      -2.561  11.240  -0.751  1.00 10.38           C
ATOM    228  OG1 THR A  14      -2.063  11.941   0.379  1.00 16.30           O
ATOM    229  CG2 THR A  14      -4.093  11.317  -0.861  1.00 11.66           C
ATOM      0  H   THR A  14      -0.242  10.657  -1.522  1.00  9.39           H   new
ATOM      0  HA  THR A  14      -2.275   9.248   0.048  1.00  9.63           H   new
ATOM      0  HB  THR A  14      -2.214  11.741  -1.655  1.00 10.38           H   new
ATOM      0  HG1 THR A  14      -2.701  11.865   1.119  1.00 16.30           H   new
ATOM      0 HG21 THR A  14      -4.410  12.359  -0.807  1.00 11.66           H   new
ATOM      0 HG22 THR A  14      -4.411  10.890  -1.812  1.00 11.66           H   new
ATOM      0 HG23 THR A  14      -4.545  10.758  -0.042  1.00 11.66           H   new
ATOM    237  N   LEU A  15      -3.047   7.996  -1.932  1.00  8.29           N
ATOM    238  CA  LEU A  15      -3.472   7.184  -3.030  1.00  9.03           C
ATOM    239  C   LEU A  15      -4.961   7.190  -3.089  1.00  8.59           C
ATOM    240  O   LEU A  15      -5.695   6.836  -2.168  1.00  7.79           O
ATOM    241  CB  LEU A  15      -2.970   5.731  -2.976  1.00 11.08           C
ATOM    242  CG  LEU A  15      -1.441   5.564  -2.982  1.00 15.79           C
ATOM    243  CD1 LEU A  15      -1.069   4.132  -2.561  1.00 15.27           C
ATOM    244  CD2 LEU A  15      -0.915   5.942  -4.377  1.00 15.88           C
ATOM      0  H   LEU A  15      -3.205   7.556  -1.025  1.00  8.29           H   new
ATOM      0  HA  LEU A  15      -3.031   7.622  -3.926  1.00  9.03           H   new
ATOM      0  HB2 LEU A  15      -3.367   5.260  -2.077  1.00 11.08           H   new
ATOM      0  HB3 LEU A  15      -3.382   5.190  -3.828  1.00 11.08           H   new
ATOM      0  HG  LEU A  15      -0.969   6.228  -2.258  1.00 15.79           H   new
ATOM      0 HD11 LEU A  15       0.015   4.021  -2.568  1.00 15.27           H   new
ATOM      0 HD12 LEU A  15      -1.448   3.938  -1.557  1.00 15.27           H   new
ATOM      0 HD13 LEU A  15      -1.511   3.421  -3.259  1.00 15.27           H   new
ATOM      0 HD21 LEU A  15       0.169   5.829  -4.400  1.00 15.88           H   new
ATOM      0 HD22 LEU A  15      -1.364   5.288  -5.125  1.00 15.88           H   new
ATOM      0 HD23 LEU A  15      -1.177   6.977  -4.596  1.00 15.88           H   new
ATOM    256  N   GLU A  16      -5.539   7.578  -4.240  1.00 11.04           N
ATOM    257  CA  GLU A  16      -6.953   7.565  -4.454  1.00 11.50           C
ATOM    258  C   GLU A  16      -7.396   6.342  -5.181  1.00 10.13           C
ATOM    259  O   GLU A  16      -7.115   6.124  -6.359  1.00  9.83           O
ATOM    260  CB  GLU A  16      -7.367   8.858  -5.176  1.00 17.22           C
ATOM    261  CG  GLU A  16      -8.863   8.872  -5.495  1.00 23.33           C
ATOM    262  CD  GLU A  16      -9.149  10.002  -6.473  1.00 26.99           C
ATOM    263  OE1 GLU A  16      -8.801  11.187  -6.222  1.00 28.86           O
ATOM    264  OE2 GLU A  16      -9.860   9.733  -7.478  1.00 28.90           O
ATOM      0  H   GLU A  16      -5.008   7.910  -5.045  1.00 11.04           H   new
ATOM      0  HA  GLU A  16      -7.458   7.530  -3.488  1.00 11.50           H   new
ATOM      0  HB2 GLU A  16      -7.119   9.718  -4.554  1.00 17.22           H   new
ATOM      0  HB3 GLU A  16      -6.797   8.958  -6.100  1.00 17.22           H   new
ATOM      0  HG2 GLU A  16      -9.166   7.917  -5.924  1.00 23.33           H   new
ATOM      0  HG3 GLU A  16      -9.442   9.009  -4.582  1.00 23.33           H   new
ATOM    271  N   VAL A  17      -8.023   5.419  -4.430  1.00  8.99           N
ATOM    272  CA  VAL A  17      -8.189   4.032  -4.735  1.00  8.85           C
ATOM    273  C   VAL A  17      -9.623   3.690  -4.520  1.00  8.04           C
ATOM    274  O   VAL A  17     -10.301   4.302  -3.696  1.00  8.99           O
ATOM    275  CB  VAL A  17      -7.329   3.093  -3.941  1.00  9.78           C
ATOM    276  CG1 VAL A  17      -5.938   3.067  -4.595  1.00 12.05           C
ATOM    277  CG2 VAL A  17      -7.244   3.584  -2.486  1.00 10.54           C
ATOM      0  H   VAL A  17      -8.448   5.665  -3.536  1.00  8.99           H   new
ATOM      0  HA  VAL A  17      -7.870   3.898  -5.769  1.00  8.85           H   new
ATOM      0  HB  VAL A  17      -7.748   2.087  -3.932  1.00  9.78           H   new
ATOM      0 HG11 VAL A  17      -5.287   2.392  -4.040  1.00 12.05           H   new
ATOM      0 HG12 VAL A  17      -6.026   2.721  -5.625  1.00 12.05           H   new
ATOM      0 HG13 VAL A  17      -5.512   4.070  -4.585  1.00 12.05           H   new
ATOM      0 HG21 VAL A  17      -6.620   2.903  -1.908  1.00 10.54           H   new
ATOM      0 HG22 VAL A  17      -6.808   4.583  -2.464  1.00 10.54           H   new
ATOM      0 HG23 VAL A  17      -8.244   3.615  -2.053  1.00 10.54           H   new
ATOM    287  N   GLU A  18     -10.128   2.718  -5.300  1.00  7.29           N
ATOM    288  CA  GLU A  18     -11.457   2.200  -5.192  1.00  7.08           C
ATOM    289  C   GLU A  18     -11.583   1.115  -4.179  1.00  6.45           C
ATOM    290  O   GLU A  18     -10.581   0.404  -4.121  1.00  5.28           O
ATOM    291  CB  GLU A  18     -11.987   1.777  -6.573  1.00 10.28           C
ATOM    292  CG  GLU A  18     -11.924   2.861  -7.651  1.00 12.65           C
ATOM    293  CD  GLU A  18     -12.899   2.824  -8.819  1.00 14.15           C
ATOM    294  OE1 GLU A  18     -13.100   1.744  -9.437  1.00 18.17           O
ATOM    295  OE2 GLU A  18     -13.346   3.901  -9.295  1.00 14.33           O
ATOM      0  H   GLU A  18      -9.585   2.273  -6.040  1.00  7.29           H   new
ATOM      0  HA  GLU A  18     -12.088   3.009  -4.822  1.00  7.08           H   new
ATOM      0  HB2 GLU A  18     -11.417   0.913  -6.915  1.00 10.28           H   new
ATOM      0  HB3 GLU A  18     -13.022   1.454  -6.464  1.00 10.28           H   new
ATOM      0  HG2 GLU A  18     -12.050   3.822  -7.153  1.00 12.65           H   new
ATOM      0  HG3 GLU A  18     -10.917   2.847  -8.068  1.00 12.65           H   new
ATOM    302  N   PRO A  19     -12.574   0.713  -3.440  1.00  7.24           N
ATOM    303  CA  PRO A  19     -12.443  -0.210  -2.351  1.00  7.07           C
ATOM    304  C   PRO A  19     -12.493  -1.601  -2.883  1.00  6.65           C
ATOM    305  O   PRO A  19     -12.274  -2.612  -2.218  1.00  6.37           O
ATOM    306  CB  PRO A  19     -13.508   0.168  -1.324  1.00  7.61           C
ATOM    307  CG  PRO A  19     -14.490   1.067  -2.094  1.00  8.16           C
ATOM    308  CD  PRO A  19     -13.917   1.270  -3.506  1.00  7.49           C
ATOM      0  HA  PRO A  19     -11.485  -0.161  -1.834  1.00  7.07           H   new
ATOM      0  HB2 PRO A  19     -14.008  -0.716  -0.928  1.00  7.61           H   new
ATOM      0  HB3 PRO A  19     -13.071   0.694  -0.475  1.00  7.61           H   new
ATOM      0  HG2 PRO A  19     -15.476   0.605  -2.143  1.00  8.16           H   new
ATOM      0  HG3 PRO A  19     -14.611   2.025  -1.588  1.00  8.16           H   new
ATOM      0  HD2 PRO A  19     -14.521   0.760  -4.256  1.00  7.49           H   new
ATOM      0  HD3 PRO A  19     -13.896   2.325  -3.777  1.00  7.49           H   new
ATOM    316  N   SER A  20     -12.767  -1.763  -4.190  1.00  6.80           N
ATOM    317  CA  SER A  20     -12.780  -3.041  -4.833  1.00  6.28           C
ATOM    318  C   SER A  20     -11.491  -3.270  -5.544  1.00  8.45           C
ATOM    319  O   SER A  20     -11.342  -4.244  -6.281  1.00  7.26           O
ATOM    320  CB  SER A  20     -13.953  -3.080  -5.826  1.00  8.57           C
ATOM    321  OG  SER A  20     -15.189  -2.687  -5.248  1.00 11.13           O
ATOM      0  H   SER A  20     -12.985  -0.987  -4.815  1.00  6.80           H   new
ATOM      0  HA  SER A  20     -12.903  -3.829  -4.090  1.00  6.28           H   new
ATOM      0  HB2 SER A  20     -13.729  -2.426  -6.669  1.00  8.57           H   new
ATOM      0  HB3 SER A  20     -14.050  -4.090  -6.224  1.00  8.57           H   new
ATOM      0  HG  SER A  20     -15.895  -2.730  -5.926  1.00 11.13           H   new
ATOM    327  N   ASP A  21     -10.550  -2.328  -5.354  1.00  7.50           N
ATOM    328  CA  ASP A  21      -9.239  -2.542  -5.883  1.00  7.70           C
ATOM    329  C   ASP A  21      -8.531  -3.527  -5.019  1.00  7.08           C
ATOM    330  O   ASP A  21      -8.736  -3.741  -3.825  1.00  8.11           O
ATOM    331  CB  ASP A  21      -8.275  -1.352  -6.018  1.00 11.00           C
ATOM    332  CG  ASP A  21      -8.823  -0.264  -6.930  1.00 15.32           C
ATOM    333  OD1 ASP A  21      -9.508  -0.557  -7.946  1.00 18.03           O
ATOM    334  OD2 ASP A  21      -8.597   0.939  -6.630  1.00 14.36           O
ATOM      0  H   ASP A  21     -10.687  -1.450  -4.854  1.00  7.50           H   new
ATOM      0  HA  ASP A  21      -9.459  -2.853  -6.904  1.00  7.70           H   new
ATOM      0  HB2 ASP A  21      -8.080  -0.932  -5.031  1.00 11.00           H   new
ATOM      0  HB3 ASP A  21      -7.320  -1.704  -6.409  1.00 11.00           H   new
ATOM    339  N   THR A  22      -7.507  -4.189  -5.587  1.00  5.37           N
ATOM    340  CA  THR A  22      -6.736  -5.232  -4.986  1.00  6.01           C
ATOM    341  C   THR A  22      -5.499  -4.629  -4.414  1.00  8.01           C
ATOM    342  O   THR A  22      -5.211  -3.461  -4.669  1.00  8.11           O
ATOM    343  CB  THR A  22      -6.367  -6.386  -5.872  1.00  8.92           C
ATOM    344  OG1 THR A  22      -5.548  -6.037  -6.979  1.00 10.22           O
ATOM    345  CG2 THR A  22      -7.704  -6.979  -6.345  1.00  9.65           C
ATOM      0  H   THR A  22      -7.197  -3.979  -6.536  1.00  5.37           H   new
ATOM      0  HA  THR A  22      -7.384  -5.673  -4.229  1.00  6.01           H   new
ATOM      0  HB  THR A  22      -5.759  -7.096  -5.311  1.00  8.92           H   new
ATOM      0  HG1 THR A  22      -5.350  -6.840  -7.505  1.00 10.22           H   new
ATOM      0 HG21 THR A  22      -7.514  -7.830  -6.999  1.00  9.65           H   new
ATOM      0 HG22 THR A  22      -8.282  -7.308  -5.481  1.00  9.65           H   new
ATOM      0 HG23 THR A  22      -8.266  -6.221  -6.890  1.00  9.65           H   new
ATOM    353  N   ILE A  23      -4.757  -5.316  -3.527  1.00  8.32           N
ATOM    354  CA  ILE A  23      -3.610  -4.728  -2.907  1.00  9.92           C
ATOM    355  C   ILE A  23      -2.441  -4.694  -3.831  1.00 10.01           C
ATOM    356  O   ILE A  23      -1.519  -3.892  -3.696  1.00  8.71           O
ATOM    357  CB  ILE A  23      -3.367  -5.455  -1.618  1.00 10.78           C
ATOM    358  CG1 ILE A  23      -4.512  -5.321  -0.601  1.00 11.38           C
ATOM    359  CG2 ILE A  23      -2.077  -4.923  -0.970  1.00 10.90           C
ATOM    360  CD1 ILE A  23      -4.799  -3.960   0.034  1.00 12.30           C
ATOM      0  H   ILE A  23      -4.950  -6.275  -3.240  1.00  8.32           H   new
ATOM      0  HA  ILE A  23      -3.784  -3.678  -2.674  1.00  9.92           H   new
ATOM      0  HB  ILE A  23      -3.288  -6.511  -1.875  1.00 10.78           H   new
ATOM      0 HG12 ILE A  23      -5.427  -5.651  -1.093  1.00 11.38           H   new
ATOM      0 HG13 ILE A  23      -4.314  -6.024   0.208  1.00 11.38           H   new
ATOM      0 HG21 ILE A  23      -1.897  -5.449  -0.033  1.00 10.90           H   new
ATOM      0 HG22 ILE A  23      -1.237  -5.086  -1.645  1.00 10.90           H   new
ATOM      0 HG23 ILE A  23      -2.182  -3.856  -0.773  1.00 10.90           H   new
ATOM      0 HD11 ILE A  23      -5.637  -4.050   0.725  1.00 12.30           H   new
ATOM      0 HD12 ILE A  23      -3.917  -3.618   0.576  1.00 12.30           H   new
ATOM      0 HD13 ILE A  23      -5.047  -3.240  -0.746  1.00 12.30           H   new
ATOM    372  N   GLU A  24      -2.508  -5.490  -4.913  1.00  9.54           N
ATOM    373  CA  GLU A  24      -1.552  -5.479  -5.977  1.00 11.81           C
ATOM    374  C   GLU A  24      -1.648  -4.135  -6.613  1.00 11.14           C
ATOM    375  O   GLU A  24      -0.679  -3.572  -7.120  1.00 10.62           O
ATOM    376  CB  GLU A  24      -1.974  -6.504  -7.043  1.00 19.24           C
ATOM    377  CG  GLU A  24      -0.989  -6.701  -8.197  1.00 27.76           C
ATOM    378  CD  GLU A  24      -1.499  -7.726  -9.200  1.00 32.92           C
ATOM    379  OE1 GLU A  24      -2.692  -7.733  -9.606  1.00 36.51           O
ATOM    380  OE2 GLU A  24      -0.707  -8.617  -9.609  1.00 34.80           O
ATOM      0  H   GLU A  24      -3.257  -6.168  -5.052  1.00  9.54           H   new
ATOM      0  HA  GLU A  24      -0.553  -5.705  -5.604  1.00 11.81           H   new
ATOM      0  HB2 GLU A  24      -2.131  -7.466  -6.555  1.00 19.24           H   new
ATOM      0  HB3 GLU A  24      -2.934  -6.196  -7.457  1.00 19.24           H   new
ATOM      0  HG2 GLU A  24      -0.823  -5.749  -8.701  1.00 27.76           H   new
ATOM      0  HG3 GLU A  24      -0.026  -7.025  -7.803  1.00 27.76           H   new
ATOM    387  N   ASN A  25      -2.880  -3.674  -6.893  1.00  9.43           N
ATOM    388  CA  ASN A  25      -3.160  -2.426  -7.532  1.00 10.96           C
ATOM    389  C   ASN A  25      -2.770  -1.241  -6.717  1.00  9.68           C
ATOM    390  O   ASN A  25      -2.288  -0.273  -7.302  1.00  9.33           O
ATOM    391  CB  ASN A  25      -4.658  -2.439  -7.881  1.00 16.78           C
ATOM    392  CG  ASN A  25      -4.902  -1.709  -9.194  1.00 22.31           C
ATOM    393  OD1 ASN A  25      -5.492  -0.629  -9.199  1.00 25.66           O
ATOM    394  ND2 ASN A  25      -4.441  -2.273 -10.343  1.00 24.70           N
ATOM      0  H   ASN A  25      -3.723  -4.199  -6.662  1.00  9.43           H   new
ATOM      0  HA  ASN A  25      -2.554  -2.325  -8.432  1.00 10.96           H   new
ATOM      0  HB2 ASN A  25      -5.011  -3.467  -7.958  1.00 16.78           H   new
ATOM      0  HB3 ASN A  25      -5.228  -1.965  -7.082  1.00 16.78           H   new
ATOM      0 HD21 ASN A  25      -4.581  -1.800 -11.236  1.00 24.70           H   new
ATOM      0 HD22 ASN A  25      -3.955  -3.169 -10.312  1.00 24.70           H   new
ATOM    401  N   VAL A  26      -2.821  -1.335  -5.376  1.00  6.52           N
ATOM    402  CA  VAL A  26      -2.480  -0.307  -4.443  1.00  5.53           C
ATOM    403  C   VAL A  26      -1.008  -0.086  -4.509  1.00  4.42           C
ATOM    404  O   VAL A  26      -0.424   0.995  -4.458  1.00  3.40           O
ATOM    405  CB  VAL A  26      -2.888  -0.744  -3.067  1.00  3.86           C
ATOM    406  CG1 VAL A  26      -2.256   0.015  -1.888  1.00  7.25           C
ATOM    407  CG2 VAL A  26      -4.423  -0.649  -3.052  1.00  8.12           C
ATOM      0  H   VAL A  26      -3.123  -2.192  -4.912  1.00  6.52           H   new
ATOM      0  HA  VAL A  26      -2.995   0.624  -4.681  1.00  5.53           H   new
ATOM      0  HB  VAL A  26      -2.512  -1.753  -2.899  1.00  3.86           H   new
ATOM      0 HG11 VAL A  26      -2.630  -0.394  -0.949  1.00  7.25           H   new
ATOM      0 HG12 VAL A  26      -1.172  -0.094  -1.924  1.00  7.25           H   new
ATOM      0 HG13 VAL A  26      -2.517   1.071  -1.953  1.00  7.25           H   new
ATOM      0 HG21 VAL A  26      -4.797  -0.954  -2.075  1.00  8.12           H   new
ATOM      0 HG22 VAL A  26      -4.726   0.379  -3.252  1.00  8.12           H   new
ATOM      0 HG23 VAL A  26      -4.836  -1.304  -3.819  1.00  8.12           H   new
ATOM    417  N   LYS A  27      -0.293  -1.224  -4.545  1.00  2.64           N
ATOM    418  CA  LYS A  27       1.120  -1.256  -4.760  1.00  4.14           C
ATOM    419  C   LYS A  27       1.706  -0.761  -6.038  1.00  5.58           C
ATOM    420  O   LYS A  27       2.673  -0.001  -6.053  1.00  4.11           O
ATOM    421  CB  LYS A  27       1.446  -2.717  -4.409  1.00  3.97           C
ATOM    422  CG  LYS A  27       2.908  -2.883  -3.989  1.00  7.45           C
ATOM    423  CD  LYS A  27       3.123  -4.281  -3.407  1.00  9.02           C
ATOM    424  CE  LYS A  27       2.751  -4.624  -1.964  1.00 12.90           C
ATOM    425  NZ  LYS A  27       2.723  -6.083  -1.717  1.00 15.47           N
ATOM      0  H   LYS A  27      -0.709  -2.147  -4.421  1.00  2.64           H   new
ATOM      0  HA  LYS A  27       1.609  -0.496  -4.150  1.00  4.14           H   new
ATOM      0  HB2 LYS A  27       0.795  -3.052  -3.602  1.00  3.97           H   new
ATOM      0  HB3 LYS A  27       1.240  -3.353  -5.270  1.00  3.97           H   new
ATOM      0  HG2 LYS A  27       3.562  -2.732  -4.848  1.00  7.45           H   new
ATOM      0  HG3 LYS A  27       3.172  -2.127  -3.250  1.00  7.45           H   new
ATOM      0  HD2 LYS A  27       2.577  -4.975  -4.046  1.00  9.02           H   new
ATOM      0  HD3 LYS A  27       4.183  -4.509  -3.521  1.00  9.02           H   new
ATOM      0  HE2 LYS A  27       3.467  -4.158  -1.287  1.00 12.90           H   new
ATOM      0  HE3 LYS A  27       1.773  -4.201  -1.734  1.00 12.90           H   new
ATOM      0  HZ1 LYS A  27       2.214  -6.275  -0.830  1.00 15.47           H   new
ATOM      0  HZ2 LYS A  27       2.239  -6.559  -2.504  1.00 15.47           H   new
ATOM      0  HZ3 LYS A  27       3.697  -6.441  -1.642  1.00 15.47           H   new
ATOM    439  N   ALA A  28       1.050  -1.036  -7.179  1.00  6.61           N
ATOM    440  CA  ALA A  28       1.345  -0.599  -8.509  1.00  7.74           C
ATOM    441  C   ALA A  28       1.403   0.882  -8.655  1.00  9.17           C
ATOM    442  O   ALA A  28       2.350   1.418  -9.230  1.00 11.45           O
ATOM    443  CB  ALA A  28       0.278  -1.154  -9.467  1.00  7.68           C
ATOM      0  H   ALA A  28       0.221  -1.631  -7.165  1.00  6.61           H   new
ATOM      0  HA  ALA A  28       2.338  -0.977  -8.750  1.00  7.74           H   new
ATOM      0  HB1 ALA A  28       0.495  -0.826 -10.483  1.00  7.68           H   new
ATOM      0  HB2 ALA A  28       0.285  -2.243  -9.428  1.00  7.68           H   new
ATOM      0  HB3 ALA A  28      -0.704  -0.787  -9.169  1.00  7.68           H   new
ATOM    449  N   LYS A  29       0.458   1.572  -7.993  1.00  8.96           N
ATOM    450  CA  LYS A  29       0.347   2.998  -7.978  1.00  7.90           C
ATOM    451  C   LYS A  29       1.609   3.612  -7.477  1.00  6.92           C
ATOM    452  O   LYS A  29       1.882   4.769  -7.793  1.00  6.87           O
ATOM    453  CB  LYS A  29      -0.878   3.437  -7.159  1.00 10.28           C
ATOM    454  CG  LYS A  29      -2.154   3.219  -7.975  1.00 14.94           C
ATOM    455  CD  LYS A  29      -3.388   3.740  -7.234  1.00 19.69           C
ATOM    456  CE  LYS A  29      -4.662   4.037  -8.027  1.00 22.63           C
ATOM    457  NZ  LYS A  29      -5.061   2.814  -8.759  1.00 24.98           N
ATOM      0  H   LYS A  29      -0.265   1.112  -7.440  1.00  8.96           H   new
ATOM      0  HA  LYS A  29       0.195   3.353  -8.997  1.00  7.90           H   new
ATOM      0  HB2 LYS A  29      -0.928   2.869  -6.230  1.00 10.28           H   new
ATOM      0  HB3 LYS A  29      -0.786   4.488  -6.885  1.00 10.28           H   new
ATOM      0  HG2 LYS A  29      -2.064   3.726  -8.936  1.00 14.94           H   new
ATOM      0  HG3 LYS A  29      -2.276   2.156  -8.185  1.00 14.94           H   new
ATOM      0  HD2 LYS A  29      -3.642   3.010  -6.465  1.00 19.69           H   new
ATOM      0  HD3 LYS A  29      -3.100   4.657  -6.720  1.00 19.69           H   new
ATOM      0  HE2 LYS A  29      -5.460   4.353  -7.355  1.00 22.63           H   new
ATOM      0  HE3 LYS A  29      -4.490   4.856  -8.725  1.00 22.63           H   new
ATOM      0  HZ1 LYS A  29      -5.954   2.987  -9.263  1.00 24.98           H   new
ATOM      0  HZ2 LYS A  29      -4.320   2.562  -9.444  1.00 24.98           H   new
ATOM      0  HZ3 LYS A  29      -5.189   2.032  -8.085  1.00 24.98           H   new
ATOM    471  N   ILE A  30       2.266   2.883  -6.557  1.00  4.57           N
ATOM    472  CA  ILE A  30       3.416   3.336  -5.838  1.00  5.58           C
ATOM    473  C   ILE A  30       4.629   3.139  -6.680  1.00  7.26           C
ATOM    474  O   ILE A  30       5.560   3.941  -6.743  1.00  9.46           O
ATOM    475  CB  ILE A  30       3.574   2.660  -4.508  1.00  5.36           C
ATOM    476  CG1 ILE A  30       2.180   2.819  -3.879  1.00  2.94           C
ATOM    477  CG2 ILE A  30       4.627   3.426  -3.690  1.00  2.78           C
ATOM    478  CD1 ILE A  30       2.090   2.468  -2.394  1.00  2.00           C
ATOM      0  H   ILE A  30       1.983   1.936  -6.303  1.00  4.57           H   new
ATOM      0  HA  ILE A  30       3.280   4.396  -5.624  1.00  5.58           H   new
ATOM      0  HB  ILE A  30       3.897   1.620  -4.562  1.00  5.36           H   new
ATOM      0 HG12 ILE A  30       1.855   3.851  -4.012  1.00  2.94           H   new
ATOM      0 HG13 ILE A  30       1.478   2.191  -4.427  1.00  2.94           H   new
ATOM      0 HG21 ILE A  30       4.753   2.946  -2.719  1.00  2.78           H   new
ATOM      0 HG22 ILE A  30       5.577   3.420  -4.224  1.00  2.78           H   new
ATOM      0 HG23 ILE A  30       4.298   4.455  -3.546  1.00  2.78           H   new
ATOM      0 HD11 ILE A  30       1.067   2.613  -2.047  1.00  2.00           H   new
ATOM      0 HD12 ILE A  30       2.378   1.427  -2.248  1.00  2.00           H   new
ATOM      0 HD13 ILE A  30       2.761   3.113  -1.826  1.00  2.00           H   new
ATOM    490  N   GLN A  31       4.651   2.019  -7.424  1.00  7.06           N
ATOM    491  CA  GLN A  31       5.660   1.898  -8.431  1.00  8.67           C
ATOM    492  C   GLN A  31       5.551   2.950  -9.480  1.00 10.90           C
ATOM    493  O   GLN A  31       6.571   3.389 -10.009  1.00  9.63           O
ATOM    494  CB  GLN A  31       5.551   0.515  -9.096  1.00  9.12           C
ATOM    495  CG  GLN A  31       6.740   0.068  -9.949  1.00 10.76           C
ATOM    496  CD  GLN A  31       6.616  -1.306 -10.592  1.00 13.78           C
ATOM    497  OE1 GLN A  31       5.550  -1.913 -10.680  1.00 14.48           O
ATOM    498  NE2 GLN A  31       7.798  -1.878 -10.943  1.00 14.76           N
ATOM      0  H   GLN A  31       4.006   1.233  -7.338  1.00  7.06           H   new
ATOM      0  HA  GLN A  31       6.625   2.021  -7.939  1.00  8.67           H   new
ATOM      0  HB2 GLN A  31       5.395  -0.228  -8.314  1.00  9.12           H   new
ATOM      0  HB3 GLN A  31       4.660   0.508  -9.724  1.00  9.12           H   new
ATOM      0  HG2 GLN A  31       6.894   0.805 -10.738  1.00 10.76           H   new
ATOM      0  HG3 GLN A  31       7.634   0.077  -9.325  1.00 10.76           H   new
ATOM      0 HE21 GLN A  31       8.666  -1.349 -10.859  1.00 14.76           H   new
ATOM      0 HE22 GLN A  31       7.817  -2.837 -11.291  1.00 14.76           H   new
ATOM    507  N   ASP A  32       4.323   3.303  -9.900  1.00 10.93           N
ATOM    508  CA  ASP A  32       4.080   4.365 -10.827  1.00 14.01           C
ATOM    509  C   ASP A  32       4.513   5.696 -10.316  1.00 14.04           C
ATOM    510  O   ASP A  32       5.444   6.222 -10.924  1.00 13.39           O
ATOM    511  CB  ASP A  32       2.604   4.239 -11.239  1.00 18.01           C
ATOM    512  CG  ASP A  32       2.381   3.244 -12.370  1.00 24.33           C
ATOM    513  OD1 ASP A  32       3.355   2.669 -12.924  1.00 26.29           O
ATOM    514  OD2 ASP A  32       1.191   2.950 -12.663  1.00 25.17           O
ATOM      0  H   ASP A  32       3.473   2.835  -9.585  1.00 10.93           H   new
ATOM      0  HA  ASP A  32       4.698   4.280 -11.721  1.00 14.01           H   new
ATOM      0  HB2 ASP A  32       2.016   3.933 -10.373  1.00 18.01           H   new
ATOM      0  HB3 ASP A  32       2.234   5.217 -11.546  1.00 18.01           H   new
ATOM    519  N   LYS A  33       4.015   6.096  -9.132  1.00 14.22           N
ATOM    520  CA  LYS A  33       4.249   7.426  -8.662  1.00 14.00           C
ATOM    521  C   LYS A  33       5.562   7.780  -8.054  1.00 12.37           C
ATOM    522  O   LYS A  33       6.207   8.737  -8.481  1.00 12.17           O
ATOM    523  CB  LYS A  33       3.222   7.877  -7.609  1.00 18.62           C
ATOM    524  CG  LYS A  33       1.778   7.999  -8.100  1.00 24.00           C
ATOM    525  CD  LYS A  33       1.454   9.311  -8.818  1.00 27.61           C
ATOM    526  CE  LYS A  33       0.093   9.495  -9.493  1.00 27.64           C
ATOM    527  NZ  LYS A  33      -1.006   9.711  -8.526  1.00 30.06           N
ATOM      0  H   LYS A  33       3.459   5.510  -8.509  1.00 14.22           H   new
ATOM      0  HA  LYS A  33       4.186   7.930  -9.626  1.00 14.00           H   new
ATOM      0  HB2 LYS A  33       3.246   7.171  -6.779  1.00 18.62           H   new
ATOM      0  HB3 LYS A  33       3.535   8.843  -7.214  1.00 18.62           H   new
ATOM      0  HG2 LYS A  33       1.567   7.170  -8.775  1.00 24.00           H   new
ATOM      0  HG3 LYS A  33       1.108   7.893  -7.246  1.00 24.00           H   new
ATOM      0  HD2 LYS A  33       1.567  10.115  -8.091  1.00 27.61           H   new
ATOM      0  HD3 LYS A  33       2.218   9.461  -9.581  1.00 27.61           H   new
ATOM      0  HE2 LYS A  33       0.143  10.345 -10.174  1.00 27.64           H   new
ATOM      0  HE3 LYS A  33      -0.129   8.615 -10.097  1.00 27.64           H   new
ATOM      0  HZ1 LYS A  33      -1.902   9.829  -9.040  1.00 30.06           H   new
ATOM      0  HZ2 LYS A  33      -1.076   8.890  -7.891  1.00 30.06           H   new
ATOM      0  HZ3 LYS A  33      -0.813  10.566  -7.966  1.00 30.06           H   new
ATOM    541  N   GLU A  34       6.058   7.082  -7.016  1.00 10.11           N
ATOM    542  CA  GLU A  34       7.324   7.273  -6.378  1.00 10.07           C
ATOM    543  C   GLU A  34       8.383   6.402  -6.961  1.00  9.32           C
ATOM    544  O   GLU A  34       9.538   6.804  -7.088  1.00 11.61           O
ATOM    545  CB  GLU A  34       7.150   7.045  -4.867  1.00 14.77           C
ATOM    546  CG  GLU A  34       6.235   7.878  -3.967  1.00 18.75           C
ATOM    547  CD  GLU A  34       6.494   9.377  -3.917  1.00 22.28           C
ATOM    548  OE1 GLU A  34       7.667   9.740  -3.637  1.00 21.95           O
ATOM    549  OE2 GLU A  34       5.615  10.136  -4.406  1.00 25.19           O
ATOM      0  H   GLU A  34       5.528   6.322  -6.589  1.00 10.11           H   new
ATOM      0  HA  GLU A  34       7.663   8.295  -6.549  1.00 10.07           H   new
ATOM      0  HB2 GLU A  34       6.826   6.010  -4.753  1.00 14.77           H   new
ATOM      0  HB3 GLU A  34       8.147   7.117  -4.433  1.00 14.77           H   new
ATOM      0  HG2 GLU A  34       5.206   7.723  -4.293  1.00 18.75           H   new
ATOM      0  HG3 GLU A  34       6.311   7.487  -2.952  1.00 18.75           H   new
ATOM    556  N   GLY A  35       8.104   5.154  -7.380  1.00  7.22           N
ATOM    557  CA  GLY A  35       9.113   4.254  -7.844  1.00  6.29           C
ATOM    558  C   GLY A  35       9.816   3.479  -6.783  1.00  6.93           C
ATOM    559  O   GLY A  35      11.045   3.477  -6.731  1.00  7.41           O
ATOM      0  H   GLY A  35       7.162   4.764  -7.397  1.00  7.22           H   new
ATOM      0  HA2 GLY A  35       8.656   3.551  -8.541  1.00  6.29           H   new
ATOM      0  HA3 GLY A  35       9.854   4.824  -8.405  1.00  6.29           H   new
ATOM    563  N   ILE A  36       9.049   2.743  -5.959  1.00  5.86           N
ATOM    564  CA  ILE A  36       9.648   1.854  -5.012  1.00  6.07           C
ATOM    565  C   ILE A  36       9.369   0.478  -5.508  1.00  6.36           C
ATOM    566  O   ILE A  36       8.219   0.262  -5.887  1.00  6.18           O
ATOM    567  CB  ILE A  36       9.195   2.056  -3.596  1.00  7.47           C
ATOM    568  CG1 ILE A  36       9.236   3.513  -3.105  1.00  8.52           C
ATOM    569  CG2 ILE A  36      10.160   1.273  -2.690  1.00  7.36           C
ATOM    570  CD1 ILE A  36       8.601   3.898  -1.770  1.00  9.49           C
ATOM      0  H   ILE A  36       8.029   2.762  -5.947  1.00  5.86           H   new
ATOM      0  HA  ILE A  36      10.718   2.052  -4.951  1.00  6.07           H   new
ATOM      0  HB  ILE A  36       8.157   1.726  -3.558  1.00  7.47           H   new
ATOM      0 HG12 ILE A  36      10.284   3.808  -3.060  1.00  8.52           H   new
ATOM      0 HG13 ILE A  36       8.765   4.125  -3.874  1.00  8.52           H   new
ATOM      0 HG21 ILE A  36       9.862   1.396  -1.649  1.00  7.36           H   new
ATOM      0 HG22 ILE A  36      10.130   0.216  -2.954  1.00  7.36           H   new
ATOM      0 HG23 ILE A  36      11.173   1.651  -2.825  1.00  7.36           H   new
ATOM      0 HD11 ILE A  36       8.733   4.966  -1.599  1.00  9.49           H   new
ATOM      0 HD12 ILE A  36       7.537   3.662  -1.792  1.00  9.49           H   new
ATOM      0 HD13 ILE A  36       9.080   3.340  -0.965  1.00  9.49           H   new
ATOM    582  N   PRO A  37      10.234  -0.492  -5.546  1.00  8.65           N
ATOM    583  CA  PRO A  37       9.923  -1.711  -6.234  1.00  9.18           C
ATOM    584  C   PRO A  37       8.921  -2.649  -5.653  1.00  9.85           C
ATOM    585  O   PRO A  37       8.993  -2.711  -4.426  1.00  8.51           O
ATOM    586  CB  PRO A  37      11.293  -2.373  -6.364  1.00 11.42           C
ATOM    587  CG  PRO A  37      12.242  -1.174  -6.519  1.00  9.27           C
ATOM    588  CD  PRO A  37      11.668  -0.287  -5.403  1.00  8.33           C
ATOM      0  HA  PRO A  37       9.403  -1.460  -7.158  1.00  9.18           H   new
ATOM      0  HB2 PRO A  37      11.538  -2.971  -5.486  1.00 11.42           H   new
ATOM      0  HB3 PRO A  37      11.340  -3.039  -7.226  1.00 11.42           H   new
ATOM      0  HG2 PRO A  37      13.287  -1.437  -6.356  1.00  9.27           H   new
ATOM      0  HG3 PRO A  37      12.180  -0.710  -7.503  1.00  9.27           H   new
ATOM      0  HD2 PRO A  37      12.025  -0.590  -4.419  1.00  8.33           H   new
ATOM      0  HD3 PRO A  37      11.944   0.759  -5.534  1.00  8.33           H   new
ATOM    596  N   PRO A  38       8.084  -3.420  -6.281  1.00  8.71           N
ATOM    597  CA  PRO A  38       6.974  -4.054  -5.633  1.00  9.08           C
ATOM    598  C   PRO A  38       7.301  -5.413  -5.117  1.00  9.28           C
ATOM    599  O   PRO A  38       6.408  -6.034  -4.543  1.00  6.50           O
ATOM    600  CB  PRO A  38       6.012  -4.188  -6.811  1.00 10.31           C
ATOM    601  CG  PRO A  38       6.973  -4.606  -7.935  1.00 10.81           C
ATOM    602  CD  PRO A  38       8.209  -3.724  -7.699  1.00 12.00           C
ATOM      0  HA  PRO A  38       6.614  -3.502  -4.765  1.00  9.08           H   new
ATOM      0  HB2 PRO A  38       5.241  -4.937  -6.629  1.00 10.31           H   new
ATOM      0  HB3 PRO A  38       5.501  -3.251  -7.034  1.00 10.31           H   new
ATOM      0  HG2 PRO A  38       7.220  -5.666  -7.878  1.00 10.81           H   new
ATOM      0  HG3 PRO A  38       6.538  -4.432  -8.919  1.00 10.81           H   new
ATOM      0  HD2 PRO A  38       9.137  -4.249  -7.925  1.00 12.00           H   new
ATOM      0  HD3 PRO A  38       8.194  -2.824  -8.314  1.00 12.00           H   new
ATOM    610  N   ASP A  39       8.584  -5.815  -5.145  1.00 11.20           N
ATOM    611  CA  ASP A  39       9.192  -6.920  -4.470  1.00 14.96           C
ATOM    612  C   ASP A  39       9.649  -6.478  -3.123  1.00 13.99           C
ATOM    613  O   ASP A  39       9.440  -7.132  -2.102  1.00 13.75           O
ATOM    614  CB  ASP A  39      10.362  -7.644  -5.157  1.00 24.16           C
ATOM    615  CG  ASP A  39      11.371  -6.692  -5.781  1.00 31.06           C
ATOM    616  OD1 ASP A  39      11.097  -5.463  -5.826  1.00 35.55           O
ATOM    617  OD2 ASP A  39      12.479  -7.138  -6.183  1.00 34.22           O
ATOM      0  H   ASP A  39       9.269  -5.307  -5.704  1.00 11.20           H   new
ATOM      0  HA  ASP A  39       8.394  -7.663  -4.452  1.00 14.96           H   new
ATOM      0  HB2 ASP A  39      10.870  -8.274  -4.427  1.00 24.16           H   new
ATOM      0  HB3 ASP A  39       9.969  -8.304  -5.930  1.00 24.16           H   new
ATOM    622  N   GLN A  40      10.283  -5.294  -3.050  1.00 11.60           N
ATOM    623  CA  GLN A  40      10.692  -4.692  -1.819  1.00 10.76           C
ATOM    624  C   GLN A  40       9.527  -4.171  -1.051  1.00  8.01           C
ATOM    625  O   GLN A  40       9.602  -4.369   0.161  1.00  8.96           O
ATOM    626  CB  GLN A  40      11.612  -3.502  -2.140  1.00 11.14           C
ATOM    627  CG  GLN A  40      12.895  -3.926  -2.858  1.00 14.85           C
ATOM    628  CD  GLN A  40      13.728  -2.704  -3.216  1.00 16.11           C
ATOM    629  OE1 GLN A  40      13.973  -1.720  -2.520  1.00 20.52           O
ATOM    630  NE2 GLN A  40      14.377  -2.843  -4.404  1.00 18.16           N
ATOM      0  H   GLN A  40      10.518  -4.739  -3.873  1.00 11.60           H   new
ATOM      0  HA  GLN A  40      11.199  -5.450  -1.222  1.00 10.76           H   new
ATOM      0  HB2 GLN A  40      11.072  -2.787  -2.761  1.00 11.14           H   new
ATOM      0  HB3 GLN A  40      11.871  -2.988  -1.214  1.00 11.14           H   new
ATOM      0  HG2 GLN A  40      13.473  -4.594  -2.220  1.00 14.85           H   new
ATOM      0  HG3 GLN A  40      12.647  -4.483  -3.762  1.00 14.85           H   new
ATOM      0 HE21 GLN A  40      14.189  -3.652  -4.997  1.00 18.16           H   new
ATOM      0 HE22 GLN A  40      15.052  -2.139  -4.702  1.00 18.16           H   new
ATOM    639  N   GLN A  41       8.501  -3.509  -1.616  1.00  6.52           N
ATOM    640  CA  GLN A  41       7.440  -2.902  -0.875  1.00  3.87           C
ATOM    641  C   GLN A  41       6.544  -3.841  -0.144  1.00  4.79           C
ATOM    642  O   GLN A  41       5.756  -4.642  -0.644  1.00  6.34           O
ATOM    643  CB  GLN A  41       6.392  -2.211  -1.764  1.00  4.20           C
ATOM    644  CG  GLN A  41       7.019  -1.036  -2.518  1.00  3.20           C
ATOM    645  CD  GLN A  41       5.845  -0.436  -3.279  1.00  4.89           C
ATOM    646  OE1 GLN A  41       4.864   0.008  -2.685  1.00  5.21           O
ATOM    647  NE2 GLN A  41       5.905  -0.358  -4.635  1.00  7.13           N
ATOM      0  H   GLN A  41       8.407  -3.393  -2.625  1.00  6.52           H   new
ATOM      0  HA  GLN A  41       8.022  -2.250  -0.223  1.00  3.87           H   new
ATOM      0  HB2 GLN A  41       5.979  -2.928  -2.474  1.00  4.20           H   new
ATOM      0  HB3 GLN A  41       5.563  -1.857  -1.151  1.00  4.20           H   new
ATOM      0  HG2 GLN A  41       7.466  -0.314  -1.835  1.00  3.20           H   new
ATOM      0  HG3 GLN A  41       7.808  -1.367  -3.193  1.00  3.20           H   new
ATOM      0 HE21 GLN A  41       6.717  -0.725  -5.132  1.00  7.13           H   new
ATOM      0 HE22 GLN A  41       5.138   0.068  -5.156  1.00  7.13           H   new
ATOM    656  N   ARG A  42       6.661  -3.839   1.196  1.00  5.73           N
ATOM    657  CA  ARG A  42       6.069  -4.654   2.212  1.00  6.97           C
ATOM    658  C   ARG A  42       5.051  -3.786   2.868  1.00  7.15           C
ATOM    659  O   ARG A  42       5.413  -2.802   3.510  1.00  7.33           O
ATOM    660  CB  ARG A  42       7.065  -5.380   3.132  1.00 13.23           C
ATOM    661  CG  ARG A  42       6.434  -6.425   4.055  1.00 21.27           C
ATOM    662  CD  ARG A  42       7.403  -6.801   5.178  1.00 26.14           C
ATOM    663  NE  ARG A  42       7.052  -8.150   5.704  1.00 32.26           N
ATOM    664  CZ  ARG A  42       7.852  -8.880   6.535  1.00 34.32           C
ATOM    665  NH1 ARG A  42       9.066  -8.398   6.930  1.00 35.30           N
ATOM    666  NH2 ARG A  42       7.372 -10.041   7.068  1.00 36.39           N
ATOM      0  H   ARG A  42       7.274  -3.149   1.630  1.00  5.73           H   new
ATOM      0  HA  ARG A  42       5.581  -5.532   1.788  1.00  6.97           H   new
ATOM      0  HB2 ARG A  42       7.820  -5.868   2.515  1.00 13.23           H   new
ATOM      0  HB3 ARG A  42       7.582  -4.640   3.743  1.00 13.23           H   new
ATOM      0  HG2 ARG A  42       5.510  -6.033   4.480  1.00 21.27           H   new
ATOM      0  HG3 ARG A  42       6.170  -7.314   3.482  1.00 21.27           H   new
ATOM      0  HD2 ARG A  42       8.427  -6.799   4.805  1.00 26.14           H   new
ATOM      0  HD3 ARG A  42       7.354  -6.062   5.978  1.00 26.14           H   new
ATOM      0  HE  ARG A  42       6.158  -8.554   5.426  1.00 32.26           H   new
ATOM      0 HH11 ARG A  42       9.383  -7.485   6.604  1.00 35.30           H   new
ATOM      0 HH12 ARG A  42       9.657  -8.951   7.551  1.00 35.30           H   new
ATOM      0 HH21 ARG A  42       6.427 -10.353   6.844  1.00 36.39           H   new
ATOM      0 HH22 ARG A  42       7.958 -10.597   7.691  1.00 36.39           H   new
ATOM    680  N   LEU A  43       3.755  -4.082   2.661  1.00  4.65           N
ATOM    681  CA  LEU A  43       2.648  -3.208   2.894  1.00  3.51           C
ATOM    682  C   LEU A  43       2.029  -3.579   4.198  1.00  5.56           C
ATOM    683  O   LEU A  43       1.316  -4.560   4.408  1.00  4.19           O
ATOM    684  CB  LEU A  43       1.616  -3.154   1.755  1.00  3.74           C
ATOM    685  CG  LEU A  43       0.444  -2.167   1.889  1.00  6.32           C
ATOM    686  CD1 LEU A  43       0.967  -0.755   2.205  1.00  6.41           C
ATOM    687  CD2 LEU A  43      -0.422  -2.047   0.624  1.00  9.55           C
ATOM      0  H   LEU A  43       3.463  -4.993   2.307  1.00  4.65           H   new
ATOM      0  HA  LEU A  43       3.033  -2.189   2.929  1.00  3.51           H   new
ATOM      0  HB2 LEU A  43       2.148  -2.918   0.833  1.00  3.74           H   new
ATOM      0  HB3 LEU A  43       1.199  -4.154   1.635  1.00  3.74           H   new
ATOM      0  HG  LEU A  43      -0.171  -2.571   2.693  1.00  6.32           H   new
ATOM      0 HD11 LEU A  43       0.126  -0.068   2.297  1.00  6.41           H   new
ATOM      0 HD12 LEU A  43       1.524  -0.774   3.142  1.00  6.41           H   new
ATOM      0 HD13 LEU A  43       1.622  -0.421   1.400  1.00  6.41           H   new
ATOM      0 HD21 LEU A  43      -1.226  -1.332   0.800  1.00  9.55           H   new
ATOM      0 HD22 LEU A  43       0.194  -1.703  -0.207  1.00  9.55           H   new
ATOM      0 HD23 LEU A  43      -0.848  -3.020   0.381  1.00  9.55           H   new
ATOM    699  N   ILE A  44       2.203  -2.718   5.216  1.00  4.58           N
ATOM    700  CA  ILE A  44       1.782  -3.008   6.552  1.00  5.55           C
ATOM    701  C   ILE A  44       0.573  -2.241   6.963  1.00  5.46           C
ATOM    702  O   ILE A  44       0.401  -1.064   6.651  1.00  6.04           O
ATOM    703  CB  ILE A  44       2.878  -2.702   7.529  1.00  6.80           C
ATOM    704  CG1 ILE A  44       4.069  -3.659   7.355  1.00 10.31           C
ATOM    705  CG2 ILE A  44       2.445  -2.681   9.004  1.00  7.39           C
ATOM    706  CD1 ILE A  44       3.771  -5.129   7.650  1.00 13.90           C
ATOM      0  H   ILE A  44       2.644  -1.804   5.110  1.00  4.58           H   new
ATOM      0  HA  ILE A  44       1.536  -4.070   6.560  1.00  5.55           H   new
ATOM      0  HB  ILE A  44       3.176  -1.683   7.285  1.00  6.80           H   new
ATOM      0 HG12 ILE A  44       4.434  -3.577   6.331  1.00 10.31           H   new
ATOM      0 HG13 ILE A  44       4.877  -3.330   8.008  1.00 10.31           H   new
ATOM      0 HG21 ILE A  44       3.305  -2.451   9.633  1.00  7.39           H   new
ATOM      0 HG22 ILE A  44       1.678  -1.920   9.147  1.00  7.39           H   new
ATOM      0 HG23 ILE A  44       2.044  -3.657   9.280  1.00  7.39           H   new
ATOM      0 HD11 ILE A  44       4.674  -5.721   7.498  1.00 13.90           H   new
ATOM      0 HD12 ILE A  44       3.438  -5.233   8.683  1.00 13.90           H   new
ATOM      0 HD13 ILE A  44       2.988  -5.483   6.979  1.00 13.90           H   new
ATOM    718  N   PHE A  45      -0.301  -2.842   7.790  1.00  6.75           N
ATOM    719  CA  PHE A  45      -1.443  -2.262   8.426  1.00  4.70           C
ATOM    720  C   PHE A  45      -1.352  -2.615   9.871  1.00  6.34           C
ATOM    721  O   PHE A  45      -1.608  -3.715  10.357  1.00  5.45           O
ATOM    722  CB  PHE A  45      -2.677  -2.883   7.750  1.00  5.51           C
ATOM    723  CG  PHE A  45      -4.041  -2.762   8.336  1.00  5.98           C
ATOM    724  CD1 PHE A  45      -4.559  -1.525   8.638  1.00  6.86           C
ATOM    725  CD2 PHE A  45      -4.796  -3.886   8.576  1.00  5.87           C
ATOM    726  CE1 PHE A  45      -5.841  -1.440   9.128  1.00  6.68           C
ATOM    727  CE2 PHE A  45      -6.101  -3.820   9.005  1.00  6.64           C
ATOM    728  CZ  PHE A  45      -6.591  -2.575   9.322  1.00  6.84           C
ATOM      0  H   PHE A  45      -0.196  -3.827   8.035  1.00  6.75           H   new
ATOM      0  HA  PHE A  45      -1.502  -1.177   8.338  1.00  4.70           H   new
ATOM      0  HB2 PHE A  45      -2.728  -2.465   6.744  1.00  5.51           H   new
ATOM      0  HB3 PHE A  45      -2.474  -3.949   7.643  1.00  5.51           H   new
ATOM      0  HD1 PHE A  45      -3.968  -0.633   8.493  1.00  6.86           H   new
ATOM      0  HD2 PHE A  45      -4.348  -4.856   8.422  1.00  5.87           H   new
ATOM      0  HE1 PHE A  45      -6.262  -0.473   9.362  1.00  6.68           H   new
ATOM      0  HE2 PHE A  45      -6.713  -4.706   9.089  1.00  6.64           H   new
ATOM      0  HZ  PHE A  45      -7.586  -2.487   9.732  1.00  6.84           H   new
ATOM    738  N   ALA A  46      -0.878  -1.649  10.677  1.00  6.53           N
ATOM    739  CA  ALA A  46      -0.622  -1.746  12.081  1.00  7.15           C
ATOM    740  C   ALA A  46       0.531  -2.607  12.468  1.00  9.00           C
ATOM    741  O   ALA A  46       1.622  -2.115  12.751  1.00 11.15           O
ATOM    742  CB  ALA A  46      -1.891  -2.131  12.859  1.00  8.99           C
ATOM      0  H   ALA A  46      -0.655  -0.722  10.314  1.00  6.53           H   new
ATOM      0  HA  ALA A  46      -0.317  -0.739  12.367  1.00  7.15           H   new
ATOM      0  HB1 ALA A  46      -1.660  -2.196  13.922  1.00  8.99           H   new
ATOM      0  HB2 ALA A  46      -2.659  -1.374  12.700  1.00  8.99           H   new
ATOM      0  HB3 ALA A  46      -2.255  -3.096  12.507  1.00  8.99           H   new
ATOM    748  N   GLY A  47       0.333  -3.936  12.398  1.00  9.35           N
ATOM    749  CA  GLY A  47       1.326  -4.954  12.552  1.00 11.68           C
ATOM    750  C   GLY A  47       1.119  -6.130  11.660  1.00 11.14           C
ATOM    751  O   GLY A  47       1.988  -6.994  11.553  1.00 13.93           O
ATOM      0  H   GLY A  47      -0.592  -4.327  12.220  1.00  9.35           H   new
ATOM      0  HA2 GLY A  47       2.308  -4.525  12.352  1.00 11.68           H   new
ATOM      0  HA3 GLY A  47       1.331  -5.291  13.589  1.00 11.68           H   new
ATOM    755  N   LYS A  48       0.082  -6.133  10.804  1.00 10.47           N
ATOM    756  CA  LYS A  48      -0.162  -7.129   9.807  1.00  8.82           C
ATOM    757  C   LYS A  48       0.315  -6.651   8.479  1.00  7.68           C
ATOM    758  O   LYS A  48       0.235  -5.470   8.144  1.00  6.47           O
ATOM    759  CB  LYS A  48      -1.648  -7.518   9.716  1.00  9.74           C
ATOM    760  CG  LYS A  48      -2.143  -8.456  10.818  1.00 14.14           C
ATOM    761  CD  LYS A  48      -1.849  -9.936  10.565  1.00 16.32           C
ATOM    762  CE  LYS A  48      -2.508 -10.510   9.309  1.00 20.04           C
ATOM    763  NZ  LYS A  48      -1.824 -11.740   8.850  1.00 23.92           N
ATOM      0  H   LYS A  48      -0.626  -5.399  10.808  1.00 10.47           H   new
ATOM      0  HA  LYS A  48       0.392  -8.020  10.102  1.00  8.82           H   new
ATOM      0  HB2 LYS A  48      -2.248  -6.608   9.739  1.00  9.74           H   new
ATOM      0  HB3 LYS A  48      -1.825  -7.992   8.751  1.00  9.74           H   new
ATOM      0  HG2 LYS A  48      -1.684  -8.163  11.762  1.00 14.14           H   new
ATOM      0  HG3 LYS A  48      -3.219  -8.326  10.933  1.00 14.14           H   new
ATOM      0  HD2 LYS A  48      -0.770 -10.071  10.487  1.00 16.32           H   new
ATOM      0  HD3 LYS A  48      -2.181 -10.512  11.429  1.00 16.32           H   new
ATOM      0  HE2 LYS A  48      -3.555 -10.730   9.515  1.00 20.04           H   new
ATOM      0  HE3 LYS A  48      -2.490  -9.764   8.514  1.00 20.04           H   new
ATOM      0  HZ1 LYS A  48      -2.296 -12.102   7.997  1.00 23.92           H   new
ATOM      0  HZ2 LYS A  48      -0.831 -11.523   8.630  1.00 23.92           H   new
ATOM      0  HZ3 LYS A  48      -1.864 -12.460   9.600  1.00 23.92           H   new
ATOM    777  N   GLN A  49       0.797  -7.611   7.670  1.00  8.89           N
ATOM    778  CA  GLN A  49       1.015  -7.489   6.262  1.00  7.18           C
ATOM    779  C   GLN A  49      -0.094  -7.877   5.345  1.00  8.23           C
ATOM    780  O   GLN A  49      -0.424  -9.056   5.233  1.00  9.70           O
ATOM    781  CB  GLN A  49       2.366  -8.051   5.789  1.00 11.67           C
ATOM    782  CG  GLN A  49       2.641  -7.778   4.309  1.00 15.82           C
ATOM    783  CD  GLN A  49       3.539  -8.898   3.803  1.00 20.21           C
ATOM    784  OE1 GLN A  49       4.590  -9.144   4.392  1.00 23.23           O
ATOM    785  NE2 GLN A  49       3.260  -9.608   2.677  1.00 20.67           N
ATOM      0  H   GLN A  49       1.051  -8.533   8.024  1.00  8.89           H   new
ATOM      0  HA  GLN A  49       1.042  -6.403   6.168  1.00  7.18           H   new
ATOM      0  HB2 GLN A  49       3.165  -7.614   6.388  1.00 11.67           H   new
ATOM      0  HB3 GLN A  49       2.388  -9.127   5.965  1.00 11.67           H   new
ATOM      0  HG2 GLN A  49       1.709  -7.747   3.744  1.00 15.82           H   new
ATOM      0  HG3 GLN A  49       3.124  -6.810   4.180  1.00 15.82           H   new
ATOM      0 HE21 GLN A  49       2.397  -9.430   2.163  1.00 20.67           H   new
ATOM      0 HE22 GLN A  49       3.914 -10.318   2.347  1.00 20.67           H   new
ATOM    794  N   LEU A  50      -0.594  -6.895   4.574  1.00  6.51           N
ATOM    795  CA  LEU A  50      -1.513  -6.883   3.478  1.00  7.41           C
ATOM    796  C   LEU A  50      -1.000  -7.576   2.262  1.00  8.27           C
ATOM    797  O   LEU A  50       0.108  -7.244   1.845  1.00  8.34           O
ATOM    798  CB  LEU A  50      -2.058  -5.498   3.093  1.00  7.13           C
ATOM    799  CG  LEU A  50      -2.564  -4.566   4.208  1.00  7.53           C
ATOM    800  CD1 LEU A  50      -2.861  -3.150   3.687  1.00  9.11           C
ATOM    801  CD2 LEU A  50      -3.779  -5.264   4.842  1.00  8.14           C
ATOM      0  H   LEU A  50      -0.292  -5.939   4.762  1.00  6.51           H   new
ATOM      0  HA  LEU A  50      -2.353  -7.451   3.877  1.00  7.41           H   new
ATOM      0  HB2 LEU A  50      -1.270  -4.971   2.554  1.00  7.13           H   new
ATOM      0  HB3 LEU A  50      -2.878  -5.649   2.391  1.00  7.13           H   new
ATOM      0  HG  LEU A  50      -1.800  -4.404   4.968  1.00  7.53           H   new
ATOM      0 HD11 LEU A  50      -3.215  -2.527   4.508  1.00  9.11           H   new
ATOM      0 HD12 LEU A  50      -1.952  -2.718   3.270  1.00  9.11           H   new
ATOM      0 HD13 LEU A  50      -3.627  -3.200   2.913  1.00  9.11           H   new
ATOM      0 HD21 LEU A  50      -4.179  -4.642   5.643  1.00  8.14           H   new
ATOM      0 HD22 LEU A  50      -4.547  -5.417   4.084  1.00  8.14           H   new
ATOM      0 HD23 LEU A  50      -3.473  -6.228   5.249  1.00  8.14           H   new
ATOM    813  N   GLU A  51      -1.794  -8.464   1.638  1.00  9.43           N
ATOM    814  CA  GLU A  51      -1.348  -9.351   0.609  1.00 11.90           C
ATOM    815  C   GLU A  51      -2.102  -9.023  -0.634  1.00 11.49           C
ATOM    816  O   GLU A  51      -3.237  -8.551  -0.592  1.00  9.88           O
ATOM    817  CB  GLU A  51      -1.541 -10.797   1.095  1.00 16.56           C
ATOM    818  CG  GLU A  51      -0.714 -11.165   2.328  1.00 26.06           C
ATOM    819  CD  GLU A  51      -0.979 -12.542   2.921  1.00 29.86           C
ATOM    820  OE1 GLU A  51      -0.428 -13.539   2.382  1.00 33.44           O
ATOM    821  OE2 GLU A  51      -1.818 -12.619   3.857  1.00 32.13           O
ATOM      0  H   GLU A  51      -2.784  -8.568   1.859  1.00  9.43           H   new
ATOM      0  HA  GLU A  51      -0.288  -9.239   0.382  1.00 11.90           H   new
ATOM      0  HB2 GLU A  51      -2.596 -10.954   1.320  1.00 16.56           H   new
ATOM      0  HB3 GLU A  51      -1.283 -11.478   0.283  1.00 16.56           H   new
ATOM      0  HG2 GLU A  51       0.342 -11.101   2.065  1.00 26.06           H   new
ATOM      0  HG3 GLU A  51      -0.896 -10.417   3.100  1.00 26.06           H   new
ATOM    828  N   ASP A  52      -1.361  -9.207  -1.741  1.00 12.71           N
ATOM    829  CA  ASP A  52      -1.631  -8.586  -3.000  1.00 16.56           C
ATOM    830  C   ASP A  52      -2.943  -8.929  -3.618  1.00 15.83           C
ATOM    831  O   ASP A  52      -3.604  -8.166  -4.320  1.00 17.21           O
ATOM    832  CB  ASP A  52      -0.573  -8.781  -4.100  1.00 21.05           C
ATOM    833  CG  ASP A  52       0.753  -8.331  -3.504  1.00 25.12           C
ATOM    834  OD1 ASP A  52       1.437  -9.175  -2.865  1.00 28.37           O
ATOM    835  OD2 ASP A  52       1.234  -7.168  -3.559  1.00 25.82           O
ATOM      0  H   ASP A  52      -0.541  -9.813  -1.759  1.00 12.71           H   new
ATOM      0  HA  ASP A  52      -1.626  -7.546  -2.673  1.00 16.56           H   new
ATOM      0  HB2 ASP A  52      -0.525  -9.824  -4.412  1.00 21.05           H   new
ATOM      0  HB3 ASP A  52      -0.820  -8.195  -4.985  1.00 21.05           H   new
ATOM    840  N   GLY A  53      -3.540 -10.106  -3.357  1.00 15.00           N
ATOM    841  CA  GLY A  53      -4.638 -10.628  -4.110  1.00 11.77           C
ATOM    842  C   GLY A  53      -5.995 -10.525  -3.503  1.00 11.10           C
ATOM    843  O   GLY A  53      -6.874 -11.324  -3.820  1.00 11.25           O
ATOM      0  H   GLY A  53      -3.247 -10.716  -2.594  1.00 15.00           H   new
ATOM      0  HA2 GLY A  53      -4.660 -10.117  -5.073  1.00 11.77           H   new
ATOM      0  HA3 GLY A  53      -4.438 -11.680  -4.312  1.00 11.77           H   new
ATOM    847  N   ARG A  54      -6.143  -9.541  -2.598  1.00  8.53           N
ATOM    848  CA  ARG A  54      -7.373  -9.390  -1.884  1.00  9.05           C
ATOM    849  C   ARG A  54      -7.814  -7.972  -1.998  1.00  8.96           C
ATOM    850  O   ARG A  54      -7.020  -7.133  -2.422  1.00 11.60           O
ATOM    851  CB  ARG A  54      -7.118  -9.711  -0.401  1.00  7.97           C
ATOM    852  CG  ARG A  54      -7.051 -11.196  -0.042  1.00  9.62           C
ATOM    853  CD  ARG A  54      -6.718 -11.560   1.406  1.00 12.20           C
ATOM    854  NE  ARG A  54      -7.895 -11.236   2.260  1.00 18.23           N
ATOM    855  CZ  ARG A  54      -8.170 -11.864   3.440  1.00 22.08           C
ATOM    856  NH1 ARG A  54      -7.130 -12.428   4.123  1.00 23.38           N
ATOM    857  NH2 ARG A  54      -9.455 -12.012   3.875  1.00 25.50           N
ATOM      0  H   ARG A  54      -5.422  -8.859  -2.363  1.00  8.53           H   new
ATOM      0  HA  ARG A  54      -8.135 -10.056  -2.289  1.00  9.05           H   new
ATOM      0  HB2 ARG A  54      -6.180  -9.242  -0.104  1.00  7.97           H   new
ATOM      0  HB3 ARG A  54      -7.907  -9.249   0.192  1.00  7.97           H   new
ATOM      0  HG2 ARG A  54      -8.013 -11.645  -0.289  1.00  9.62           H   new
ATOM      0  HG3 ARG A  54      -6.306 -11.664  -0.686  1.00  9.62           H   new
ATOM      0  HD2 ARG A  54      -6.475 -12.620   1.483  1.00 12.20           H   new
ATOM      0  HD3 ARG A  54      -5.842 -11.006   1.743  1.00 12.20           H   new
ATOM      0  HE  ARG A  54      -8.531 -10.504   1.945  1.00 18.23           H   new
ATOM      0 HH11 ARG A  54      -6.183 -12.372   3.748  1.00 23.38           H   new
ATOM      0 HH12 ARG A  54      -7.300 -12.905   5.008  1.00 23.38           H   new
ATOM      0 HH21 ARG A  54     -10.228 -11.651   3.316  1.00 25.50           H   new
ATOM      0 HH22 ARG A  54      -9.643 -12.484   4.759  1.00 25.50           H   new
ATOM    871  N   THR A  55      -9.073  -7.660  -1.643  1.00  9.05           N
ATOM    872  CA  THR A  55      -9.588  -6.344  -1.858  1.00  9.03           C
ATOM    873  C   THR A  55      -9.394  -5.490  -0.653  1.00  8.15           C
ATOM    874  O   THR A  55      -9.166  -5.945   0.466  1.00  5.91           O
ATOM    875  CB  THR A  55     -10.967  -6.209  -2.433  1.00 11.15           C
ATOM    876  OG1 THR A  55     -12.012  -6.542  -1.531  1.00 11.95           O
ATOM    877  CG2 THR A  55     -11.105  -7.048  -3.715  1.00 11.71           C
ATOM      0  H   THR A  55      -9.729  -8.311  -1.211  1.00  9.05           H   new
ATOM      0  HA  THR A  55      -8.975  -5.976  -2.681  1.00  9.03           H   new
ATOM      0  HB  THR A  55     -11.081  -5.149  -2.659  1.00 11.15           H   new
ATOM      0  HG1 THR A  55     -12.877  -6.428  -1.976  1.00 11.95           H   new
ATOM      0 HG21 THR A  55     -12.112  -6.936  -4.116  1.00 11.71           H   new
ATOM      0 HG22 THR A  55     -10.380  -6.706  -4.454  1.00 11.71           H   new
ATOM      0 HG23 THR A  55     -10.920  -8.097  -3.485  1.00 11.71           H   new
ATOM    885  N   LEU A  56      -9.406  -4.167  -0.898  1.00  6.91           N
ATOM    886  CA  LEU A  56      -9.470  -3.156   0.111  1.00  8.29           C
ATOM    887  C   LEU A  56     -10.641  -3.300   1.022  1.00  8.05           C
ATOM    888  O   LEU A  56     -10.597  -3.055   2.227  1.00 10.17           O
ATOM    889  CB  LEU A  56      -9.350  -1.726  -0.440  1.00  6.60           C
ATOM    890  CG  LEU A  56      -7.994  -1.424  -1.100  1.00  7.73           C
ATOM    891  CD1 LEU A  56      -8.075  -0.210  -2.041  1.00  8.64           C
ATOM    892  CD2 LEU A  56      -6.983  -1.083   0.007  1.00  9.85           C
ATOM      0  H   LEU A  56      -9.369  -3.785  -1.843  1.00  6.91           H   new
ATOM      0  HA  LEU A  56      -8.581  -3.326   0.719  1.00  8.29           H   new
ATOM      0  HB2 LEU A  56     -10.143  -1.561  -1.169  1.00  6.60           H   new
ATOM      0  HB3 LEU A  56      -9.513  -1.019   0.373  1.00  6.60           H   new
ATOM      0  HG  LEU A  56      -7.697  -2.299  -1.677  1.00  7.73           H   new
ATOM      0 HD11 LEU A  56      -7.097  -0.030  -2.487  1.00  8.64           H   new
ATOM      0 HD12 LEU A  56      -8.802  -0.408  -2.828  1.00  8.64           H   new
ATOM      0 HD13 LEU A  56      -8.383   0.669  -1.475  1.00  8.64           H   new
ATOM      0 HD21 LEU A  56      -6.013  -0.865  -0.440  1.00  9.85           H   new
ATOM      0 HD22 LEU A  56      -7.331  -0.211   0.561  1.00  9.85           H   new
ATOM      0 HD23 LEU A  56      -6.887  -1.930   0.686  1.00  9.85           H   new
ATOM    904  N   SER A  57     -11.791  -3.778   0.515  1.00  8.92           N
ATOM    905  CA  SER A  57     -12.991  -4.179   1.182  1.00  9.00           C
ATOM    906  C   SER A  57     -13.034  -5.513   1.846  1.00  9.44           C
ATOM    907  O   SER A  57     -13.766  -5.709   2.814  1.00 10.91           O
ATOM    908  CB  SER A  57     -14.201  -4.152   0.234  1.00 10.32           C
ATOM    909  OG  SER A  57     -15.412  -4.067   0.970  1.00 13.59           O
ATOM      0  H   SER A  57     -11.887  -3.897  -0.493  1.00  8.92           H   new
ATOM      0  HA  SER A  57     -13.020  -3.434   1.977  1.00  9.00           H   new
ATOM      0  HB2 SER A  57     -14.120  -3.301  -0.443  1.00 10.32           H   new
ATOM      0  HB3 SER A  57     -14.207  -5.051  -0.383  1.00 10.32           H   new
ATOM      0  HG  SER A  57     -16.171  -4.049   0.350  1.00 13.59           H   new
ATOM    915  N   ASP A  58     -12.234  -6.510   1.428  1.00  9.11           N
ATOM    916  CA  ASP A  58     -11.975  -7.736   2.117  1.00  7.91           C
ATOM    917  C   ASP A  58     -11.326  -7.534   3.443  1.00  9.12           C
ATOM    918  O   ASP A  58     -11.698  -8.157   4.437  1.00  8.61           O
ATOM    919  CB  ASP A  58     -11.251  -8.667   1.130  1.00  8.41           C
ATOM    920  CG  ASP A  58     -10.991 -10.088   1.610  1.00 11.50           C
ATOM    921  OD1 ASP A  58     -11.551 -10.575   2.628  1.00 10.05           O
ATOM    922  OD2 ASP A  58     -10.168 -10.847   1.032  1.00 11.70           O
ATOM      0  H   ASP A  58     -11.731  -6.454   0.542  1.00  9.11           H   new
ATOM      0  HA  ASP A  58     -12.900  -8.230   2.415  1.00  7.91           H   new
ATOM      0  HB2 ASP A  58     -11.839  -8.718   0.214  1.00  8.41           H   new
ATOM      0  HB3 ASP A  58     -10.295  -8.213   0.870  1.00  8.41           H   new
ATOM    927  N   TYR A  59     -10.272  -6.700   3.498  1.00  7.97           N
ATOM    928  CA  TYR A  59      -9.459  -6.336   4.616  1.00  8.45           C
ATOM    929  C   TYR A  59     -10.105  -5.267   5.429  1.00 10.98           C
ATOM    930  O   TYR A  59      -9.588  -5.050   6.524  1.00 12.95           O
ATOM    931  CB  TYR A  59      -8.118  -5.747   4.146  1.00  7.94           C
ATOM    932  CG  TYR A  59      -7.119  -6.779   3.748  1.00  6.91           C
ATOM    933  CD1 TYR A  59      -6.604  -7.514   4.790  1.00  6.98           C
ATOM    934  CD2 TYR A  59      -6.541  -6.876   2.504  1.00  4.59           C
ATOM    935  CE1 TYR A  59      -5.621  -8.443   4.542  1.00  6.52           C
ATOM    936  CE2 TYR A  59      -5.556  -7.803   2.260  1.00  5.39           C
ATOM    937  CZ  TYR A  59      -5.068  -8.572   3.290  1.00  6.76           C
ATOM    938  OH  TYR A  59      -3.997  -9.460   3.051  1.00  7.63           O
ATOM      0  H   TYR A  59      -9.955  -6.225   2.653  1.00  7.97           H   new
ATOM      0  HA  TYR A  59      -9.319  -7.246   5.199  1.00  8.45           H   new
ATOM      0  HB2 TYR A  59      -8.299  -5.083   3.300  1.00  7.94           H   new
ATOM      0  HB3 TYR A  59      -7.699  -5.137   4.946  1.00  7.94           H   new
ATOM      0  HD1 TYR A  59      -6.969  -7.363   5.795  1.00  6.98           H   new
ATOM      0  HD2 TYR A  59      -6.864  -6.218   1.711  1.00  4.59           H   new
ATOM      0  HE1 TYR A  59      -5.278  -9.081   5.343  1.00  6.52           H   new
ATOM      0  HE2 TYR A  59      -5.166  -7.927   1.261  1.00  5.39           H   new
ATOM      0  HH  TYR A  59      -4.274 -10.374   3.271  1.00  7.63           H   new
ATOM    948  N   ASN A  60     -11.117  -4.525   4.946  1.00 12.38           N
ATOM    949  CA  ASN A  60     -11.827  -3.452   5.570  1.00 13.94           C
ATOM    950  C   ASN A  60     -10.862  -2.393   5.981  1.00 14.16           C
ATOM    951  O   ASN A  60     -10.793  -1.968   7.133  1.00 14.26           O
ATOM    952  CB  ASN A  60     -12.695  -4.010   6.710  1.00 19.23           C
ATOM    953  CG  ASN A  60     -13.518  -5.188   6.207  1.00 22.65           C
ATOM    954  OD1 ASN A  60     -14.596  -5.124   5.619  1.00 25.45           O
ATOM    955  ND2 ASN A  60     -12.929  -6.397   6.408  1.00 24.09           N
ATOM      0  H   ASN A  60     -11.477  -4.701   4.008  1.00 12.38           H   new
ATOM      0  HA  ASN A  60     -12.518  -2.972   4.877  1.00 13.94           H   new
ATOM      0  HB2 ASN A  60     -12.062  -4.325   7.539  1.00 19.23           H   new
ATOM      0  HB3 ASN A  60     -13.355  -3.231   7.091  1.00 19.23           H   new
ATOM      0 HD21 ASN A  60     -13.381  -7.247   6.071  1.00 24.09           H   new
ATOM      0 HD22 ASN A  60     -12.035  -6.454   6.895  1.00 24.09           H   new
ATOM    962  N   ILE A  61     -10.069  -2.043   4.953  1.00 11.08           N
ATOM    963  CA  ILE A  61      -9.296  -0.840   4.929  1.00 11.78           C
ATOM    964  C   ILE A  61     -10.225   0.323   4.882  1.00 13.74           C
ATOM    965  O   ILE A  61     -11.076   0.356   3.995  1.00 14.60           O
ATOM    966  CB  ILE A  61      -8.376  -0.882   3.745  1.00 11.80           C
ATOM    967  CG1 ILE A  61      -7.454  -2.112   3.782  1.00 11.56           C
ATOM    968  CG2 ILE A  61      -7.771   0.503   3.455  1.00 13.29           C
ATOM    969  CD1 ILE A  61      -6.645  -2.316   5.062  1.00 11.42           C
ATOM      0  H   ILE A  61      -9.962  -2.613   4.114  1.00 11.08           H   new
ATOM      0  HA  ILE A  61      -8.682  -0.742   5.825  1.00 11.78           H   new
ATOM      0  HB  ILE A  61      -8.933  -1.070   2.827  1.00 11.80           H   new
ATOM      0 HG12 ILE A  61      -8.063  -3.001   3.618  1.00 11.56           H   new
ATOM      0 HG13 ILE A  61      -6.759  -2.043   2.946  1.00 11.56           H   new
ATOM      0 HG21 ILE A  61      -7.109   0.437   2.591  1.00 13.29           H   new
ATOM      0 HG22 ILE A  61      -8.571   1.213   3.246  1.00 13.29           H   new
ATOM      0 HG23 ILE A  61      -7.203   0.841   4.322  1.00 13.29           H   new
ATOM      0 HD11 ILE A  61      -6.035  -3.214   4.967  1.00 11.42           H   new
ATOM      0 HD12 ILE A  61      -5.999  -1.454   5.225  1.00 11.42           H   new
ATOM      0 HD13 ILE A  61      -7.324  -2.426   5.908  1.00 11.42           H   new
ATOM    981  N   GLN A  62     -10.211   1.250   5.857  1.00 13.97           N
ATOM    982  CA  GLN A  62     -11.088   2.373   5.974  1.00 15.52           C
ATOM    983  C   GLN A  62     -10.595   3.505   5.140  1.00 13.94           C
ATOM    984  O   GLN A  62      -9.528   3.397   4.537  1.00 12.15           O
ATOM    985  CB  GLN A  62     -11.221   2.892   7.415  1.00 19.53           C
ATOM    986  CG  GLN A  62     -12.016   1.981   8.353  1.00 26.38           C
ATOM    987  CD  GLN A  62     -11.727   2.472   9.764  1.00 30.61           C
ATOM    988  OE1 GLN A  62     -12.201   3.500  10.245  1.00 33.23           O
ATOM    989  NE2 GLN A  62     -10.931   1.627  10.471  1.00 32.71           N
ATOM      0  H   GLN A  62      -9.535   1.210   6.620  1.00 13.97           H   new
ATOM      0  HA  GLN A  62     -12.063   2.019   5.638  1.00 15.52           H   new
ATOM      0  HB2 GLN A  62     -10.223   3.034   7.829  1.00 19.53           H   new
ATOM      0  HB3 GLN A  62     -11.699   3.871   7.391  1.00 19.53           H   new
ATOM      0  HG2 GLN A  62     -13.083   2.031   8.134  1.00 26.38           H   new
ATOM      0  HG3 GLN A  62     -11.715   0.940   8.233  1.00 26.38           H   new
ATOM      0 HE21 GLN A  62     -10.561   0.786  10.029  1.00 32.71           H   new
ATOM      0 HE22 GLN A  62     -10.704   1.834  11.444  1.00 32.71           H   new
ATOM    998  N   LYS A  63     -11.339   4.624   5.082  1.00 11.73           N
ATOM    999  CA  LYS A  63     -11.069   5.828   4.358  1.00 11.97           C
ATOM   1000  C   LYS A  63     -10.128   6.679   5.139  1.00 10.41           C
ATOM   1001  O   LYS A  63     -10.317   6.772   6.351  1.00  9.59           O
ATOM   1002  CB  LYS A  63     -12.272   6.778   4.239  1.00 13.73           C
ATOM   1003  CG  LYS A  63     -13.467   5.960   3.744  1.00 16.98           C
ATOM   1004  CD  LYS A  63     -14.773   6.744   3.594  1.00 20.19           C
ATOM   1005  CE  LYS A  63     -15.918   6.111   2.801  1.00 23.42           C
ATOM   1006  NZ  LYS A  63     -16.317   4.894   3.543  1.00 25.97           N
ATOM      0  H   LYS A  63     -12.218   4.690   5.595  1.00 11.73           H   new
ATOM      0  HA  LYS A  63     -10.723   5.474   3.387  1.00 11.97           H   new
ATOM      0  HB2 LYS A  63     -12.495   7.235   5.203  1.00 13.73           H   new
ATOM      0  HB3 LYS A  63     -12.051   7.589   3.545  1.00 13.73           H   new
ATOM      0  HG2 LYS A  63     -13.212   5.521   2.780  1.00 16.98           H   new
ATOM      0  HG3 LYS A  63     -13.634   5.135   4.436  1.00 16.98           H   new
ATOM      0  HD2 LYS A  63     -15.145   6.963   4.595  1.00 20.19           H   new
ATOM      0  HD3 LYS A  63     -14.534   7.699   3.126  1.00 20.19           H   new
ATOM      0  HE2 LYS A  63     -16.756   6.802   2.709  1.00 23.42           H   new
ATOM      0  HE3 LYS A  63     -15.598   5.862   1.789  1.00 23.42           H   new
ATOM      0  HZ1 LYS A  63     -17.109   4.432   3.052  1.00 25.97           H   new
ATOM      0  HZ2 LYS A  63     -15.511   4.238   3.594  1.00 25.97           H   new
ATOM      0  HZ3 LYS A  63     -16.612   5.155   4.506  1.00 25.97           H   new
ATOM   1020  N   GLU A  64      -9.077   7.257   4.530  1.00 10.04           N
ATOM   1021  CA  GLU A  64      -8.025   8.036   5.106  1.00 10.94           C
ATOM   1022  C   GLU A  64      -7.240   7.380   6.190  1.00  9.74           C
ATOM   1023  O   GLU A  64      -6.705   7.987   7.116  1.00  9.42           O
ATOM   1024  CB  GLU A  64      -8.615   9.374   5.582  1.00 18.31           C
ATOM   1025  CG  GLU A  64      -9.352  10.160   4.496  1.00 24.16           C
ATOM   1026  CD  GLU A  64      -9.210  11.663   4.693  1.00 29.00           C
ATOM   1027  OE1 GLU A  64      -9.440  12.094   5.854  1.00 32.61           O
ATOM   1028  OE2 GLU A  64      -8.928  12.370   3.689  1.00 31.72           O
ATOM      0  H   GLU A  64      -8.954   7.166   3.522  1.00 10.04           H   new
ATOM      0  HA  GLU A  64      -7.287   8.179   4.317  1.00 10.94           H   new
ATOM      0  HB2 GLU A  64      -9.303   9.182   6.405  1.00 18.31           H   new
ATOM      0  HB3 GLU A  64      -7.809   9.992   5.978  1.00 18.31           H   new
ATOM      0  HG2 GLU A  64      -8.960   9.883   3.517  1.00 24.16           H   new
ATOM      0  HG3 GLU A  64     -10.408   9.890   4.505  1.00 24.16           H   new
ATOM   1035  N   SER A  65      -7.101   6.056   5.999  1.00  6.85           N
ATOM   1036  CA  SER A  65      -6.214   5.140   6.645  1.00  6.90           C
ATOM   1037  C   SER A  65      -4.804   5.334   6.202  1.00  4.72           C
ATOM   1038  O   SER A  65      -4.385   5.420   5.049  1.00  3.91           O
ATOM   1039  CB  SER A  65      -6.715   3.713   6.362  1.00  7.28           C
ATOM   1040  OG  SER A  65      -6.139   2.700   7.174  1.00 10.56           O
ATOM      0  H   SER A  65      -7.680   5.576   5.310  1.00  6.85           H   new
ATOM      0  HA  SER A  65      -6.214   5.320   7.720  1.00  6.90           H   new
ATOM      0  HB2 SER A  65      -7.797   3.692   6.494  1.00  7.28           H   new
ATOM      0  HB3 SER A  65      -6.517   3.476   5.317  1.00  7.28           H   new
ATOM      0  HG  SER A  65      -6.515   1.829   6.927  1.00 10.56           H   new
ATOM   1046  N   THR A  66      -3.963   5.490   7.240  1.00  4.48           N
ATOM   1047  CA  THR A  66      -2.551   5.680   7.128  1.00  3.80           C
ATOM   1048  C   THR A  66      -1.791   4.406   7.271  1.00  4.60           C
ATOM   1049  O   THR A  66      -1.815   3.719   8.292  1.00  5.33           O
ATOM   1050  CB  THR A  66      -1.889   6.625   8.086  1.00  2.85           C
ATOM   1051  OG1 THR A  66      -2.431   7.931   7.953  1.00  2.15           O
ATOM   1052  CG2 THR A  66      -0.366   6.794   7.948  1.00  3.40           C
ATOM      0  H   THR A  66      -4.286   5.483   8.208  1.00  4.48           H   new
ATOM      0  HA  THR A  66      -2.506   6.118   6.131  1.00  3.80           H   new
ATOM      0  HB  THR A  66      -2.085   6.157   9.051  1.00  2.85           H   new
ATOM      0  HG1 THR A  66      -1.989   8.535   8.586  1.00  2.15           H   new
ATOM      0 HG21 THR A  66      -0.009   7.502   8.696  1.00  3.40           H   new
ATOM      0 HG22 THR A  66       0.122   5.831   8.098  1.00  3.40           H   new
ATOM      0 HG23 THR A  66      -0.130   7.169   6.952  1.00  3.40           H   new
ATOM   1060  N   LEU A  67      -1.223   3.944   6.143  1.00  4.17           N
ATOM   1061  CA  LEU A  67      -0.598   2.658   6.124  1.00  3.85           C
ATOM   1062  C   LEU A  67       0.869   2.804   6.338  1.00  3.80           C
ATOM   1063  O   LEU A  67       1.369   3.922   6.451  1.00  5.54           O
ATOM   1064  CB  LEU A  67      -0.893   2.006   4.763  1.00  7.18           C
ATOM   1065  CG  LEU A  67      -2.357   1.682   4.423  1.00  9.67           C
ATOM   1066  CD1 LEU A  67      -2.717   1.536   2.935  1.00 11.66           C
ATOM   1067  CD2 LEU A  67      -2.887   0.514   5.271  1.00  8.12           C
ATOM      0  H   LEU A  67      -1.196   4.450   5.258  1.00  4.17           H   new
ATOM      0  HA  LEU A  67      -0.989   2.029   6.924  1.00  3.85           H   new
ATOM      0  HB2 LEU A  67      -0.507   2.665   3.986  1.00  7.18           H   new
ATOM      0  HB3 LEU A  67      -0.323   1.079   4.706  1.00  7.18           H   new
ATOM      0  HG  LEU A  67      -2.886   2.594   4.699  1.00  9.67           H   new
ATOM      0 HD11 LEU A  67      -3.779   1.308   2.838  1.00 11.66           H   new
ATOM      0 HD12 LEU A  67      -2.497   2.468   2.414  1.00 11.66           H   new
ATOM      0 HD13 LEU A  67      -2.131   0.728   2.496  1.00 11.66           H   new
ATOM      0 HD21 LEU A  67      -3.924   0.312   5.004  1.00  8.12           H   new
ATOM      0 HD22 LEU A  67      -2.285  -0.375   5.083  1.00  8.12           H   new
ATOM      0 HD23 LEU A  67      -2.828   0.775   6.328  1.00  8.12           H   new
ATOM   1079  N   HIS A  68       1.624   1.697   6.450  1.00  2.94           N
ATOM   1080  CA  HIS A  68       3.022   1.697   6.748  1.00  4.17           C
ATOM   1081  C   HIS A  68       3.810   0.884   5.779  1.00  5.32           C
ATOM   1082  O   HIS A  68       3.354  -0.145   5.283  1.00  7.70           O
ATOM   1083  CB  HIS A  68       3.303   1.268   8.198  1.00  5.57           C
ATOM   1084  CG  HIS A  68       2.465   1.898   9.271  1.00  9.95           C
ATOM   1085  ND1 HIS A  68       2.073   3.220   9.242  1.00 13.74           N
ATOM   1086  CD2 HIS A  68       1.645   1.314  10.185  1.00 12.79           C
ATOM   1087  CE1 HIS A  68       1.036   3.350  10.113  1.00 14.75           C
ATOM   1088  NE2 HIS A  68       0.738   2.211  10.711  1.00 16.30           N
ATOM      0  H   HIS A  68       1.242   0.759   6.327  1.00  2.94           H   new
ATOM      0  HA  HIS A  68       3.356   2.729   6.643  1.00  4.17           H   new
ATOM      0  HB2 HIS A  68       3.177   0.187   8.261  1.00  5.57           H   new
ATOM      0  HB3 HIS A  68       4.349   1.481   8.417  1.00  5.57           H   new
ATOM      0  HD2 HIS A  68       1.697   0.272  10.466  1.00 12.79           H   new
ATOM      0  HE1 HIS A  68       0.516   4.279  10.295  1.00 14.75           H   new
ATOM      0  HE2 HIS A  68       0.008   2.035  11.401  1.00 16.30           H   new
ATOM   1096  N   LEU A  69       4.965   1.390   5.312  1.00  5.29           N
ATOM   1097  CA  LEU A  69       5.711   0.683   4.318  1.00  3.97           C
ATOM   1098  C   LEU A  69       7.061   0.390   4.877  1.00  5.07           C
ATOM   1099  O   LEU A  69       7.695   1.301   5.407  1.00  4.34           O
ATOM   1100  CB  LEU A  69       5.862   1.583   3.080  1.00  6.08           C
ATOM   1101  CG  LEU A  69       6.728   0.995   1.953  1.00  7.37           C
ATOM   1102  CD1 LEU A  69       6.165  -0.340   1.437  1.00  9.96           C
ATOM   1103  CD2 LEU A  69       7.082   1.991   0.836  1.00  6.87           C
ATOM      0  H   LEU A  69       5.377   2.272   5.616  1.00  5.29           H   new
ATOM      0  HA  LEU A  69       5.206  -0.242   4.040  1.00  3.97           H   new
ATOM      0  HB2 LEU A  69       4.870   1.798   2.682  1.00  6.08           H   new
ATOM      0  HB3 LEU A  69       6.293   2.534   3.391  1.00  6.08           H   new
ATOM      0  HG  LEU A  69       7.693   0.771   2.408  1.00  7.37           H   new
ATOM      0 HD11 LEU A  69       6.805  -0.722   0.642  1.00  9.96           H   new
ATOM      0 HD12 LEU A  69       6.132  -1.061   2.254  1.00  9.96           H   new
ATOM      0 HD13 LEU A  69       5.158  -0.185   1.049  1.00  9.96           H   new
ATOM      0 HD21 LEU A  69       7.694   1.492   0.084  1.00  6.87           H   new
ATOM      0 HD22 LEU A  69       6.166   2.359   0.373  1.00  6.87           H   new
ATOM      0 HD23 LEU A  69       7.637   2.829   1.258  1.00  6.87           H   new
ATOM   1115  N   VAL A  70       7.516  -0.873   4.797  1.00  4.29           N
ATOM   1116  CA  VAL A  70       8.856  -1.269   5.101  1.00  6.26           C
ATOM   1117  C   VAL A  70       9.396  -2.108   3.994  1.00  9.22           C
ATOM   1118  O   VAL A  70       8.685  -2.460   3.054  1.00  9.36           O
ATOM   1119  CB  VAL A  70       8.889  -2.001   6.410  1.00  8.69           C
ATOM   1120  CG1 VAL A  70       8.209  -1.239   7.559  1.00  9.76           C
ATOM   1121  CG2 VAL A  70       8.081  -3.310   6.402  1.00  8.54           C
ATOM      0  H   VAL A  70       6.924  -1.652   4.508  1.00  4.29           H   new
ATOM      0  HA  VAL A  70       9.487  -0.385   5.196  1.00  6.26           H   new
ATOM      0  HB  VAL A  70       9.960  -2.145   6.551  1.00  8.69           H   new
ATOM      0 HG11 VAL A  70       8.271  -1.829   8.474  1.00  9.76           H   new
ATOM      0 HG12 VAL A  70       8.711  -0.283   7.709  1.00  9.76           H   new
ATOM      0 HG13 VAL A  70       7.162  -1.065   7.311  1.00  9.76           H   new
ATOM      0 HG21 VAL A  70       8.149  -3.786   7.380  1.00  8.54           H   new
ATOM      0 HG22 VAL A  70       7.037  -3.092   6.177  1.00  8.54           H   new
ATOM      0 HG23 VAL A  70       8.483  -3.981   5.643  1.00  8.54           H   new
ATOM   1131  N   LEU A  71      10.728  -2.286   3.938  1.00 12.71           N
ATOM   1132  CA  LEU A  71      11.362  -2.876   2.800  1.00 16.06           C
ATOM   1133  C   LEU A  71      11.710  -4.293   3.102  1.00 18.09           C
ATOM   1134  O   LEU A  71      11.884  -4.683   4.256  1.00 19.26           O
ATOM   1135  CB  LEU A  71      12.543  -2.022   2.309  1.00 17.10           C
ATOM   1136  CG  LEU A  71      12.154  -0.574   1.965  1.00 19.37           C
ATOM   1137  CD1 LEU A  71      13.457   0.122   1.536  1.00 19.57           C
ATOM   1138  CD2 LEU A  71      11.066  -0.468   0.883  1.00 17.51           C
ATOM      0  H   LEU A  71      11.369  -2.020   4.685  1.00 12.71           H   new
ATOM      0  HA  LEU A  71      10.670  -2.897   1.958  1.00 16.06           H   new
ATOM      0  HB2 LEU A  71      13.316  -2.009   3.078  1.00 17.10           H   new
ATOM      0  HB3 LEU A  71      12.979  -2.492   1.427  1.00 17.10           H   new
ATOM      0  HG  LEU A  71      11.704  -0.093   2.834  1.00 19.37           H   new
ATOM      0 HD11 LEU A  71      13.247   1.160   1.277  1.00 19.57           H   new
ATOM      0 HD12 LEU A  71      14.174   0.091   2.357  1.00 19.57           H   new
ATOM      0 HD13 LEU A  71      13.875  -0.390   0.670  1.00 19.57           H   new
ATOM      0 HD21 LEU A  71      10.843   0.582   0.693  1.00 17.51           H   new
ATOM      0 HD22 LEU A  71      11.420  -0.936  -0.036  1.00 17.51           H   new
ATOM      0 HD23 LEU A  71      10.163  -0.974   1.224  1.00 17.51           H   new