USER  MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17
USER  MOD reduce.3.24.130724 removed 586 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD Set 1.1: A   7 THR OG1 :   rot   53:sc=   0.757
USER  MOD Set 1.2: A   9 THR OG1 :   rot  180:sc=  0.0679
USER  MOD Single : A   1 MET CE  :methyl -179:sc= -0.0829   (180deg=-0.086)
USER  MOD Single : A   1 MET N   :NH3+   -178:sc=    2.47   (180deg=2.35)
USER  MOD Single : A   2 GLN     :      amide:sc= -0.0113  X(o=-0.011,f=0)
USER  MOD Single : A   6 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  11 LYS NZ  :NH3+   -141:sc=    1.17   (180deg=0.161)
USER  MOD Single : A  12 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  14 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  20 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  22 THR OG1 :   rot -170:sc=       0
USER  MOD Single : A  25 ASN     :      amide:sc=       0  X(o=0,f=-0.088)
USER  MOD Single : A  27 LYS NZ  :NH3+   -154:sc=    1.68   (180deg=-0.412)
USER  MOD Single : A  29 LYS NZ  :NH3+    147:sc=     1.2   (180deg=0.977)
USER  MOD Single : A  31 GLN     :      amide:sc=       0  X(o=0,f=-0.0036)
USER  MOD Single : A  33 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  40 GLN     :      amide:sc=  -0.119  K(o=-0.12,f=-2.9!)
USER  MOD Single : A  41 GLN     :      amide:sc=   0.601  K(o=0.6,f=-2.1!)
USER  MOD Single : A  48 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  49 GLN     :      amide:sc=-0.00794  X(o=-0.0079,f=-0.26)
USER  MOD Single : A  55 THR OG1 :   rot  -89:sc=    1.06
USER  MOD Single : A  57 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  59 TYR OH  :   rot   60:sc=  -0.137
USER  MOD Single : A  60 ASN     :      amide:sc=  -0.351  X(o=-0.35,f=-0.053)
USER  MOD Single : A  62 GLN     :      amide:sc=       0  X(o=0,f=0)
USER  MOD Single : A  63 LYS NZ  :NH3+    166:sc=    1.03   (180deg=0.682)
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  X(o=0,f=0)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   MET A   1     -13.063   3.825  -2.787  1.00  9.67           N
ATOM      2  CA  MET A   1     -12.657   3.829  -1.364  1.00 10.38           C
ATOM      3  C   MET A   1     -11.374   4.538  -1.094  1.00  9.62           C
ATOM      4  O   MET A   1     -10.401   4.421  -1.838  1.00  9.62           O
ATOM      5  CB  MET A   1     -12.634   2.404  -0.785  1.00 13.77           C
ATOM      6  CG  MET A   1     -12.364   2.287   0.717  1.00 16.29           C
ATOM      7  SD  MET A   1     -12.369   0.562   1.293  1.00 17.17           S
ATOM      8  CE  MET A   1     -10.775  -0.031   0.657  1.00 16.11           C
ATOM      0  H1  MET A   1     -13.979   3.343  -2.885  1.00  9.67           H   new
ATOM      0  H2  MET A   1     -13.149   4.804  -3.126  1.00  9.67           H   new
ATOM      0  H3  MET A   1     -12.347   3.325  -3.351  1.00  9.67           H   new
ATOM      0  HA  MET A   1     -13.424   4.407  -0.849  1.00 10.38           H   new
ATOM      0  HB2 MET A   1     -13.593   1.933  -0.998  1.00 13.77           H   new
ATOM      0  HB3 MET A   1     -11.873   1.831  -1.315  1.00 13.77           H   new
ATOM      0  HG2 MET A   1     -11.400   2.740   0.946  1.00 16.29           H   new
ATOM      0  HG3 MET A   1     -13.119   2.851   1.264  1.00 16.29           H   new
ATOM      0  HE1 MET A   1     -10.647  -1.082   0.918  1.00 16.11           H   new
ATOM      0  HE2 MET A   1     -10.752   0.079  -0.427  1.00 16.11           H   new
ATOM      0  HE3 MET A   1      -9.967   0.553   1.098  1.00 16.11           H   new
ATOM     20  N   GLN A   2     -11.313   5.316   0.001  1.00  9.27           N
ATOM     21  CA  GLN A   2     -10.212   6.157   0.352  1.00  9.07           C
ATOM     22  C   GLN A   2      -9.322   5.371   1.253  1.00  8.72           C
ATOM     23  O   GLN A   2      -9.788   5.055   2.346  1.00  8.22           O
ATOM     24  CB  GLN A   2     -10.669   7.456   1.037  1.00 14.46           C
ATOM     25  CG  GLN A   2      -9.482   8.399   1.240  1.00 17.01           C
ATOM     26  CD  GLN A   2     -10.023   9.820   1.279  1.00 20.10           C
ATOM     27  OE1 GLN A   2     -10.358  10.473   2.267  1.00 21.89           O
ATOM     28  NE2 GLN A   2     -10.275  10.313   0.037  1.00 19.49           N
ATOM      0  H   GLN A   2     -12.074   5.360   0.678  1.00  9.27           H   new
ATOM      0  HA  GLN A   2      -9.684   6.462  -0.551  1.00  9.07           H   new
ATOM      0  HB2 GLN A   2     -11.431   7.946   0.430  1.00 14.46           H   new
ATOM      0  HB3 GLN A   2     -11.127   7.226   1.999  1.00 14.46           H   new
ATOM      0  HG2 GLN A   2      -8.960   8.163   2.167  1.00 17.01           H   new
ATOM      0  HG3 GLN A   2      -8.761   8.286   0.430  1.00 17.01           H   new
ATOM      0 HE21 GLN A   2     -10.001   9.780  -0.788  1.00 19.49           H   new
ATOM      0 HE22 GLN A   2     -10.737  11.216  -0.069  1.00 19.49           H   new
ATOM     37  N   ILE A   3      -8.069   5.141   0.822  1.00  5.87           N
ATOM     38  CA  ILE A   3      -6.989   4.595   1.584  1.00  5.07           C
ATOM     39  C   ILE A   3      -5.881   5.590   1.614  1.00  4.01           C
ATOM     40  O   ILE A   3      -5.762   6.427   0.720  1.00  4.61           O
ATOM     41  CB  ILE A   3      -6.372   3.263   1.276  1.00  6.55           C
ATOM     42  CG1 ILE A   3      -6.012   3.187  -0.217  1.00  4.72           C
ATOM     43  CG2 ILE A   3      -7.483   2.268   1.651  1.00  5.58           C
ATOM     44  CD1 ILE A   3      -5.103   1.976  -0.427  1.00 10.83           C
ATOM      0  H   ILE A   3      -7.791   5.354  -0.136  1.00  5.87           H   new
ATOM      0  HA  ILE A   3      -7.510   4.385   2.518  1.00  5.07           H   new
ATOM      0  HB  ILE A   3      -5.445   3.066   1.814  1.00  6.55           H   new
ATOM      0 HG12 ILE A   3      -6.914   3.095  -0.822  1.00  4.72           H   new
ATOM      0 HG13 ILE A   3      -5.508   4.100  -0.534  1.00  4.72           H   new
ATOM      0 HG21 ILE A   3      -7.139   1.251   1.465  1.00  5.58           H   new
ATOM      0 HG22 ILE A   3      -7.730   2.380   2.707  1.00  5.58           H   new
ATOM      0 HG23 ILE A   3      -8.369   2.467   1.048  1.00  5.58           H   new
ATOM      0 HD11 ILE A   3      -4.834   1.901  -1.481  1.00 10.83           H   new
ATOM      0 HD12 ILE A   3      -4.199   2.092   0.171  1.00 10.83           H   new
ATOM      0 HD13 ILE A   3      -5.627   1.070  -0.121  1.00 10.83           H   new
ATOM     56  N   PHE A   4      -5.084   5.539   2.696  1.00  4.55           N
ATOM     57  CA  PHE A   4      -3.987   6.455   2.730  1.00  4.68           C
ATOM     58  C   PHE A   4      -2.796   5.560   2.771  1.00  5.30           C
ATOM     59  O   PHE A   4      -2.742   4.479   3.355  1.00  5.58           O
ATOM     60  CB  PHE A   4      -3.922   7.410   3.934  1.00  4.83           C
ATOM     61  CG  PHE A   4      -5.086   8.333   4.060  1.00  7.97           C
ATOM     62  CD1 PHE A   4      -5.265   9.339   3.140  1.00  8.34           C
ATOM     63  CD2 PHE A   4      -6.086   8.078   4.969  1.00  6.69           C
ATOM     64  CE1 PHE A   4      -6.355  10.173   3.215  1.00 10.61           C
ATOM     65  CE2 PHE A   4      -7.190   8.894   5.031  1.00  9.10           C
ATOM     66  CZ  PHE A   4      -7.348   9.924   4.133  1.00  8.90           C
ATOM      0  H   PHE A   4      -5.184   4.912   3.494  1.00  4.55           H   new
ATOM      0  HA  PHE A   4      -4.067   7.128   1.877  1.00  4.68           H   new
ATOM      0  HB2 PHE A   4      -3.844   6.818   4.846  1.00  4.83           H   new
ATOM      0  HB3 PHE A   4      -3.011   8.004   3.861  1.00  4.83           H   new
ATOM      0  HD1 PHE A   4      -4.541   9.475   2.350  1.00  8.34           H   new
ATOM      0  HD2 PHE A   4      -6.003   7.233   5.637  1.00  6.69           H   new
ATOM      0  HE1 PHE A   4      -6.431  11.023   2.553  1.00 10.61           H   new
ATOM      0  HE2 PHE A   4      -7.939   8.725   5.790  1.00  9.10           H   new
ATOM      0  HZ  PHE A   4      -8.242  10.530   4.149  1.00  8.90           H   new
ATOM     76  N   VAL A   5      -1.751   6.143   2.158  1.00  4.44           N
ATOM     77  CA  VAL A   5      -0.390   5.736   2.318  1.00  3.87           C
ATOM     78  C   VAL A   5       0.514   6.669   3.046  1.00  4.93           C
ATOM     79  O   VAL A   5       0.336   7.884   2.976  1.00  6.84           O
ATOM     80  CB  VAL A   5       0.276   5.319   1.040  1.00  2.99           C
ATOM     81  CG1 VAL A   5       1.685   4.731   1.228  1.00  5.28           C
ATOM     82  CG2 VAL A   5      -0.596   4.211   0.427  1.00  9.13           C
ATOM      0  H   VAL A   5      -1.860   6.933   1.522  1.00  4.44           H   new
ATOM      0  HA  VAL A   5      -0.525   4.871   2.967  1.00  3.87           H   new
ATOM      0  HB  VAL A   5       0.379   6.209   0.419  1.00  2.99           H   new
ATOM      0 HG11 VAL A   5       2.097   4.455   0.257  1.00  5.28           H   new
ATOM      0 HG12 VAL A   5       2.330   5.474   1.697  1.00  5.28           H   new
ATOM      0 HG13 VAL A   5       1.629   3.847   1.863  1.00  5.28           H   new
ATOM      0 HG21 VAL A   5      -0.151   3.873  -0.509  1.00  9.13           H   new
ATOM      0 HG22 VAL A   5      -0.661   3.373   1.121  1.00  9.13           H   new
ATOM      0 HG23 VAL A   5      -1.596   4.600   0.234  1.00  9.13           H   new
ATOM     92  N   LYS A   6       1.456   6.265   3.917  1.00  6.04           N
ATOM     93  CA  LYS A   6       2.300   7.165   4.640  1.00  6.12           C
ATOM     94  C   LYS A   6       3.737   6.866   4.383  1.00  6.57           C
ATOM     95  O   LYS A   6       4.226   5.740   4.467  1.00  5.76           O
ATOM     96  CB  LYS A   6       1.975   7.152   6.143  1.00  7.45           C
ATOM     97  CG  LYS A   6       2.664   8.246   6.961  1.00 11.12           C
ATOM     98  CD  LYS A   6       1.780   8.875   8.041  1.00 14.54           C
ATOM     99  CE  LYS A   6       0.744   9.816   7.423  1.00 18.84           C
ATOM    100  NZ  LYS A   6      -0.062  10.377   8.531  1.00 20.55           N
ATOM      0  H   LYS A   6       1.636   5.283   4.124  1.00  6.04           H   new
ATOM      0  HA  LYS A   6       2.104   8.175   4.280  1.00  6.12           H   new
ATOM      0  HB2 LYS A   6       0.897   7.250   6.267  1.00  7.45           H   new
ATOM      0  HB3 LYS A   6       2.256   6.182   6.552  1.00  7.45           H   new
ATOM      0  HG2 LYS A   6       3.552   7.826   7.434  1.00 11.12           H   new
ATOM      0  HG3 LYS A   6       3.004   9.030   6.284  1.00 11.12           H   new
ATOM      0  HD2 LYS A   6       1.274   8.091   8.604  1.00 14.54           H   new
ATOM      0  HD3 LYS A   6       2.400   9.426   8.748  1.00 14.54           H   new
ATOM      0  HE2 LYS A   6       1.235  10.613   6.864  1.00 18.84           H   new
ATOM      0  HE3 LYS A   6       0.108   9.278   6.720  1.00 18.84           H   new
ATOM      0  HZ1 LYS A   6      -0.779  11.024   8.146  1.00 20.55           H   new
ATOM      0  HZ2 LYS A   6      -0.533   9.604   9.044  1.00 20.55           H   new
ATOM      0  HZ3 LYS A   6       0.559  10.897   9.183  1.00 20.55           H   new
ATOM    114  N   THR A   7       4.510   7.897   3.999  1.00  7.41           N
ATOM    115  CA  THR A   7       5.887   7.766   3.639  1.00  7.48           C
ATOM    116  C   THR A   7       6.796   7.962   4.804  1.00  8.75           C
ATOM    117  O   THR A   7       6.396   8.341   5.903  1.00  8.58           O
ATOM    118  CB  THR A   7       6.329   8.533   2.428  1.00  9.61           C
ATOM    119  OG1 THR A   7       6.347   9.950   2.517  1.00 11.78           O
ATOM    120  CG2 THR A   7       5.400   8.126   1.271  1.00  9.17           C
ATOM      0  H   THR A   7       4.164   8.855   3.937  1.00  7.41           H   new
ATOM      0  HA  THR A   7       5.970   6.727   3.319  1.00  7.48           H   new
ATOM      0  HB  THR A   7       7.378   8.270   2.288  1.00  9.61           H   new
ATOM      0  HG1 THR A   7       6.866  10.222   3.302  1.00 11.78           H   new
ATOM      0 HG21 THR A   7       5.688   8.663   0.367  1.00  9.17           H   new
ATOM      0 HG22 THR A   7       5.483   7.053   1.098  1.00  9.17           H   new
ATOM      0 HG23 THR A   7       4.370   8.373   1.527  1.00  9.17           H   new
ATOM    128  N   LEU A   8       8.079   7.712   4.484  1.00  9.84           N
ATOM    129  CA  LEU A   8       9.186   7.987   5.346  1.00 14.15           C
ATOM    130  C   LEU A   8       9.402   9.427   5.661  1.00 17.37           C
ATOM    131  O   LEU A   8       9.529   9.857   6.806  1.00 17.01           O
ATOM    132  CB  LEU A   8      10.389   7.529   4.505  1.00 16.63           C
ATOM    133  CG  LEU A   8      11.797   7.458   5.120  1.00 18.88           C
ATOM    134  CD1 LEU A   8      11.885   6.792   6.503  1.00 18.59           C
ATOM    135  CD2 LEU A   8      12.913   6.887   4.228  1.00 19.31           C
ATOM      0  H   LEU A   8       8.355   7.303   3.591  1.00  9.84           H   new
ATOM      0  HA  LEU A   8       9.029   7.499   6.308  1.00 14.15           H   new
ATOM      0  HB2 LEU A   8      10.155   6.535   4.125  1.00 16.63           H   new
ATOM      0  HB3 LEU A   8      10.449   8.193   3.643  1.00 16.63           H   new
ATOM      0  HG  LEU A   8      11.984   8.526   5.233  1.00 18.88           H   new
ATOM      0 HD11 LEU A   8      12.921   6.795   6.843  1.00 18.59           H   new
ATOM      0 HD12 LEU A   8      11.268   7.344   7.213  1.00 18.59           H   new
ATOM      0 HD13 LEU A   8      11.528   5.764   6.435  1.00 18.59           H   new
ATOM      0 HD21 LEU A   8      13.855   6.891   4.777  1.00 19.31           H   new
ATOM      0 HD22 LEU A   8      12.663   5.865   3.942  1.00 19.31           H   new
ATOM      0 HD23 LEU A   8      13.012   7.500   3.332  1.00 19.31           H   new
ATOM    147  N   THR A   9       9.494  10.284   4.629  1.00 18.33           N
ATOM    148  CA  THR A   9       9.788  11.672   4.812  1.00 19.24           C
ATOM    149  C   THR A   9       8.651  12.523   5.262  1.00 19.48           C
ATOM    150  O   THR A   9       8.729  13.053   6.369  1.00 23.14           O
ATOM    151  CB  THR A   9      10.191  12.362   3.543  1.00 18.97           C
ATOM    152  OG1 THR A   9       9.550  11.763   2.426  1.00 20.24           O
ATOM    153  CG2 THR A   9      11.704  12.205   3.316  1.00 19.70           C
ATOM      0  H   THR A   9       9.363  10.011   3.655  1.00 18.33           H   new
ATOM      0  HA  THR A   9      10.573  11.604   5.565  1.00 19.24           H   new
ATOM      0  HB  THR A   9       9.910  13.411   3.637  1.00 18.97           H   new
ATOM      0  HG1 THR A   9       9.822  12.226   1.606  1.00 20.24           H   new
ATOM      0 HG21 THR A   9      11.988  12.709   2.392  1.00 19.70           H   new
ATOM      0 HG22 THR A   9      12.245  12.648   4.152  1.00 19.70           H   new
ATOM      0 HG23 THR A   9      11.953  11.146   3.243  1.00 19.70           H   new
ATOM    161  N   GLY A  10       7.527  12.607   4.528  1.00 19.43           N
ATOM    162  CA  GLY A  10       6.322  13.194   5.027  1.00 18.74           C
ATOM    163  C   GLY A  10       5.330  13.436   3.941  1.00 17.62           C
ATOM    164  O   GLY A  10       4.782  14.531   3.823  1.00 19.74           O
ATOM      0  H   GLY A  10       7.453  12.261   3.571  1.00 19.43           H   new
ATOM      0  HA2 GLY A  10       5.884  12.539   5.780  1.00 18.74           H   new
ATOM      0  HA3 GLY A  10       6.555  14.137   5.522  1.00 18.74           H   new
ATOM    168  N   LYS A  11       4.975  12.414   3.142  1.00 13.56           N
ATOM    169  CA  LYS A  11       3.811  12.439   2.311  1.00 11.91           C
ATOM    170  C   LYS A  11       2.825  11.438   2.807  1.00 10.18           C
ATOM    171  O   LYS A  11       3.174  10.306   3.137  1.00  9.10           O
ATOM    172  CB  LYS A  11       4.280  12.158   0.874  1.00 13.43           C
ATOM    173  CG  LYS A  11       5.382  13.138   0.466  1.00 16.69           C
ATOM    174  CD  LYS A  11       5.566  13.079  -1.051  1.00 17.92           C
ATOM    175  CE  LYS A  11       4.468  13.837  -1.800  1.00 20.81           C
ATOM    176  NZ  LYS A  11       4.574  13.934  -3.273  1.00 21.93           N
ATOM      0  H   LYS A  11       5.510  11.549   3.072  1.00 13.56           H   new
ATOM      0  HA  LYS A  11       3.305  13.404   2.334  1.00 11.91           H   new
ATOM      0  HB2 LYS A  11       4.650  11.135   0.800  1.00 13.43           H   new
ATOM      0  HB3 LYS A  11       3.438  12.243   0.188  1.00 13.43           H   new
ATOM      0  HG2 LYS A  11       5.119  14.150   0.774  1.00 16.69           H   new
ATOM      0  HG3 LYS A  11       6.316  12.885   0.968  1.00 16.69           H   new
ATOM      0  HD2 LYS A  11       6.537  13.498  -1.313  1.00 17.92           H   new
ATOM      0  HD3 LYS A  11       5.570  12.038  -1.374  1.00 17.92           H   new
ATOM      0  HE2 LYS A  11       3.515  13.364  -1.564  1.00 20.81           H   new
ATOM      0  HE3 LYS A  11       4.429  14.850  -1.400  1.00 20.81           H   new
ATOM      0  HZ1 LYS A  11       4.273  14.881  -3.581  1.00 21.93           H   new
ATOM      0  HZ2 LYS A  11       5.560  13.773  -3.561  1.00 21.93           H   new
ATOM      0  HZ3 LYS A  11       3.963  13.216  -3.713  1.00 21.93           H   new
ATOM    190  N   THR A  12       1.585  11.961   2.802  1.00  9.63           N
ATOM    191  CA  THR A  12       0.403  11.191   3.034  1.00  9.85           C
ATOM    192  C   THR A  12      -0.154  11.062   1.657  1.00 11.66           C
ATOM    193  O   THR A  12      -0.646  12.036   1.091  1.00 12.33           O
ATOM    194  CB  THR A  12      -0.640  11.789   3.931  1.00 10.85           C
ATOM    195  OG1 THR A  12      -0.134  12.244   5.177  1.00 10.91           O
ATOM    196  CG2 THR A  12      -1.874  10.905   4.181  1.00  9.63           C
ATOM      0  H   THR A  12       1.400  12.949   2.631  1.00  9.63           H   new
ATOM      0  HA  THR A  12       0.664  10.273   3.560  1.00  9.85           H   new
ATOM      0  HB  THR A  12      -0.969  12.649   3.348  1.00 10.85           H   new
ATOM      0  HG1 THR A  12      -0.865  12.622   5.709  1.00 10.91           H   new
ATOM      0 HG21 THR A  12      -2.568  11.427   4.841  1.00  9.63           H   new
ATOM      0 HG22 THR A  12      -2.367  10.691   3.232  1.00  9.63           H   new
ATOM      0 HG23 THR A  12      -1.563   9.970   4.647  1.00  9.63           H   new
ATOM    204  N   ILE A  13      -0.142   9.855   1.064  1.00 10.42           N
ATOM    205  CA  ILE A  13      -0.596   9.745  -0.288  1.00 11.84           C
ATOM    206  C   ILE A  13      -1.957   9.172  -0.089  1.00 10.55           C
ATOM    207  O   ILE A  13      -2.120   8.100   0.491  1.00 11.92           O
ATOM    208  CB  ILE A  13       0.179   8.816  -1.174  1.00 14.86           C
ATOM    209  CG1 ILE A  13       1.652   9.258  -1.214  1.00 14.87           C
ATOM    210  CG2 ILE A  13      -0.418   8.713  -2.587  1.00 17.08           C
ATOM    211  CD1 ILE A  13       2.563   8.056  -1.462  1.00 16.46           C
ATOM      0  H   ILE A  13       0.169   8.986   1.499  1.00 10.42           H   new
ATOM      0  HA  ILE A  13      -0.514  10.707  -0.794  1.00 11.84           H   new
ATOM      0  HB  ILE A  13       0.117   7.813  -0.751  1.00 14.86           H   new
ATOM      0 HG12 ILE A  13       1.795   9.999  -2.001  1.00 14.87           H   new
ATOM      0 HG13 ILE A  13       1.920   9.737  -0.272  1.00 14.87           H   new
ATOM      0 HG21 ILE A  13       0.182   8.028  -3.186  1.00 17.08           H   new
ATOM      0 HG22 ILE A  13      -1.440   8.340  -2.524  1.00 17.08           H   new
ATOM      0 HG23 ILE A  13      -0.419   9.698  -3.054  1.00 17.08           H   new
ATOM      0 HD11 ILE A  13       3.602   8.386  -1.487  1.00 16.46           H   new
ATOM      0 HD12 ILE A  13       2.433   7.329  -0.660  1.00 16.46           H   new
ATOM      0 HD13 ILE A  13       2.305   7.595  -2.415  1.00 16.46           H   new
ATOM    223  N   THR A  14      -2.940   9.818  -0.741  1.00  9.39           N
ATOM    224  CA  THR A  14      -4.320   9.443  -0.768  1.00  9.63           C
ATOM    225  C   THR A  14      -4.553   8.686  -2.030  1.00 11.20           C
ATOM    226  O   THR A  14      -4.178   9.189  -3.088  1.00 11.63           O
ATOM    227  CB  THR A  14      -5.218  10.644  -0.810  1.00 10.38           C
ATOM    228  OG1 THR A  14      -4.850  11.638   0.136  1.00 16.30           O
ATOM    229  CG2 THR A  14      -6.723  10.412  -0.600  1.00 11.66           C
ATOM      0  H   THR A  14      -2.757  10.660  -1.287  1.00  9.39           H   new
ATOM      0  HA  THR A  14      -4.540   8.862   0.128  1.00  9.63           H   new
ATOM      0  HB  THR A  14      -5.067  10.957  -1.843  1.00 10.38           H   new
ATOM      0  HG1 THR A  14      -5.464  12.399   0.067  1.00 16.30           H   new
ATOM      0 HG21 THR A  14      -7.249  11.365  -0.656  1.00 11.66           H   new
ATOM      0 HG22 THR A  14      -7.100   9.744  -1.374  1.00 11.66           H   new
ATOM      0 HG23 THR A  14      -6.889   9.963   0.379  1.00 11.66           H   new
ATOM    237  N   LEU A  15      -5.144   7.478  -2.046  1.00  8.29           N
ATOM    238  CA  LEU A  15      -5.535   6.855  -3.272  1.00  9.03           C
ATOM    239  C   LEU A  15      -7.007   6.631  -3.311  1.00  8.59           C
ATOM    240  O   LEU A  15      -7.684   6.468  -2.297  1.00  7.79           O
ATOM    241  CB  LEU A  15      -4.708   5.571  -3.451  1.00 11.08           C
ATOM    242  CG  LEU A  15      -3.194   5.804  -3.593  1.00 15.79           C
ATOM    243  CD1 LEU A  15      -2.501   4.445  -3.393  1.00 15.27           C
ATOM    244  CD2 LEU A  15      -2.824   6.462  -4.932  1.00 15.88           C
ATOM      0  H   LEU A  15      -5.351   6.932  -1.209  1.00  8.29           H   new
ATOM      0  HA  LEU A  15      -5.325   7.507  -4.120  1.00  9.03           H   new
ATOM      0  HB2 LEU A  15      -4.884   4.918  -2.596  1.00 11.08           H   new
ATOM      0  HB3 LEU A  15      -5.066   5.043  -4.335  1.00 11.08           H   new
ATOM      0  HG  LEU A  15      -2.853   6.511  -2.837  1.00 15.79           H   new
ATOM      0 HD11 LEU A  15      -1.422   4.569  -3.487  1.00 15.27           H   new
ATOM      0 HD12 LEU A  15      -2.737   4.059  -2.401  1.00 15.27           H   new
ATOM      0 HD13 LEU A  15      -2.852   3.743  -4.149  1.00 15.27           H   new
ATOM      0 HD21 LEU A  15      -1.744   6.604  -4.981  1.00 15.88           H   new
ATOM      0 HD22 LEU A  15      -3.143   5.820  -5.753  1.00 15.88           H   new
ATOM      0 HD23 LEU A  15      -3.321   7.429  -5.012  1.00 15.88           H   new
ATOM    256  N   GLU A  16      -7.559   6.486  -4.529  1.00 11.04           N
ATOM    257  CA  GLU A  16      -8.877   5.963  -4.713  1.00 11.50           C
ATOM    258  C   GLU A  16      -8.627   4.562  -5.155  1.00 10.13           C
ATOM    259  O   GLU A  16      -7.938   4.291  -6.137  1.00  9.83           O
ATOM    260  CB  GLU A  16      -9.673   6.753  -5.765  1.00 17.22           C
ATOM    261  CG  GLU A  16     -11.176   6.475  -5.710  1.00 23.33           C
ATOM    262  CD  GLU A  16     -11.904   7.054  -4.505  1.00 26.99           C
ATOM    263  OE1 GLU A  16     -12.079   8.301  -4.464  1.00 28.90           O
ATOM    264  OE2 GLU A  16     -12.363   6.292  -3.613  1.00 28.86           O
ATOM      0  H   GLU A  16      -7.085   6.735  -5.397  1.00 11.04           H   new
ATOM      0  HA  GLU A  16      -9.483   6.027  -3.810  1.00 11.50           H   new
ATOM      0  HB2 GLU A  16      -9.501   7.819  -5.618  1.00 17.22           H   new
ATOM      0  HB3 GLU A  16      -9.299   6.504  -6.758  1.00 17.22           H   new
ATOM      0  HG2 GLU A  16     -11.635   6.872  -6.615  1.00 23.33           H   new
ATOM      0  HG3 GLU A  16     -11.329   5.396  -5.722  1.00 23.33           H   new
ATOM    271  N   VAL A  17      -9.194   3.631  -4.367  1.00  8.99           N
ATOM    272  CA  VAL A  17      -9.074   2.260  -4.755  1.00  8.85           C
ATOM    273  C   VAL A  17     -10.372   1.555  -4.557  1.00  8.04           C
ATOM    274  O   VAL A  17     -11.317   2.101  -3.989  1.00  8.99           O
ATOM    275  CB  VAL A  17      -8.020   1.539  -3.968  1.00  9.78           C
ATOM    276  CG1 VAL A  17      -6.685   2.294  -3.861  1.00 12.05           C
ATOM    277  CG2 VAL A  17      -8.481   1.421  -2.505  1.00 10.54           C
ATOM      0  H   VAL A  17      -9.710   3.811  -3.506  1.00  8.99           H   new
ATOM      0  HA  VAL A  17      -8.788   2.254  -5.807  1.00  8.85           H   new
ATOM      0  HB  VAL A  17      -7.878   0.594  -4.492  1.00  9.78           H   new
ATOM      0 HG11 VAL A  17      -5.979   1.704  -3.277  1.00 12.05           H   new
ATOM      0 HG12 VAL A  17      -6.280   2.460  -4.859  1.00 12.05           H   new
ATOM      0 HG13 VAL A  17      -6.848   3.254  -3.371  1.00 12.05           H   new
ATOM      0 HG21 VAL A  17      -7.721   0.898  -1.925  1.00 10.54           H   new
ATOM      0 HG22 VAL A  17      -8.633   2.417  -2.090  1.00 10.54           H   new
ATOM      0 HG23 VAL A  17      -9.417   0.864  -2.462  1.00 10.54           H   new
ATOM    287  N   GLU A  18     -10.427   0.263  -4.927  1.00  7.29           N
ATOM    288  CA  GLU A  18     -11.583  -0.535  -4.660  1.00  7.08           C
ATOM    289  C   GLU A  18     -11.192  -1.464  -3.563  1.00  6.45           C
ATOM    290  O   GLU A  18     -10.009  -1.738  -3.367  1.00  5.28           O
ATOM    291  CB  GLU A  18     -11.976  -1.387  -5.879  1.00 10.28           C
ATOM    292  CG  GLU A  18     -12.589  -0.447  -6.920  1.00 12.65           C
ATOM    293  CD  GLU A  18     -13.021  -1.191  -8.175  1.00 14.15           C
ATOM    294  OE1 GLU A  18     -13.674  -2.268  -8.140  1.00 18.17           O
ATOM    295  OE2 GLU A  18     -12.707  -0.696  -9.290  1.00 14.33           O
ATOM      0  H   GLU A  18      -9.674  -0.228  -5.409  1.00  7.29           H   new
ATOM      0  HA  GLU A  18     -12.428   0.106  -4.409  1.00  7.08           H   new
ATOM      0  HB2 GLU A  18     -11.103  -1.895  -6.289  1.00 10.28           H   new
ATOM      0  HB3 GLU A  18     -12.690  -2.159  -5.593  1.00 10.28           H   new
ATOM      0  HG2 GLU A  18     -13.449   0.063  -6.486  1.00 12.65           H   new
ATOM      0  HG3 GLU A  18     -11.864   0.322  -7.186  1.00 12.65           H   new
ATOM    302  N   PRO A  19     -12.022  -2.057  -2.757  1.00  7.24           N
ATOM    303  CA  PRO A  19     -11.723  -3.126  -1.849  1.00  7.07           C
ATOM    304  C   PRO A  19     -11.368  -4.364  -2.599  1.00  6.65           C
ATOM    305  O   PRO A  19     -10.817  -5.321  -2.058  1.00  6.37           O
ATOM    306  CB  PRO A  19     -12.841  -3.188  -0.811  1.00  7.61           C
ATOM    307  CG  PRO A  19     -13.986  -2.404  -1.472  1.00  8.16           C
ATOM    308  CD  PRO A  19     -13.337  -1.483  -2.518  1.00  7.49           C
ATOM      0  HA  PRO A  19     -10.819  -2.964  -1.262  1.00  7.07           H   new
ATOM      0  HB2 PRO A  19     -13.131  -4.216  -0.594  1.00  7.61           H   new
ATOM      0  HB3 PRO A  19     -12.538  -2.736   0.133  1.00  7.61           H   new
ATOM      0  HG2 PRO A  19     -14.700  -3.081  -1.941  1.00  8.16           H   new
ATOM      0  HG3 PRO A  19     -14.536  -1.823  -0.732  1.00  8.16           H   new
ATOM      0  HD2 PRO A  19     -13.926  -1.449  -3.435  1.00  7.49           H   new
ATOM      0  HD3 PRO A  19     -13.261  -0.460  -2.150  1.00  7.49           H   new
ATOM    316  N   SER A  20     -11.655  -4.444  -3.911  1.00  6.80           N
ATOM    317  CA  SER A  20     -11.429  -5.622  -4.689  1.00  6.28           C
ATOM    318  C   SER A  20     -10.134  -5.671  -5.425  1.00  8.45           C
ATOM    319  O   SER A  20      -9.706  -6.658  -6.022  1.00  7.26           O
ATOM    320  CB  SER A  20     -12.471  -5.778  -5.810  1.00  8.57           C
ATOM    321  OG  SER A  20     -13.711  -6.181  -5.247  1.00 11.13           O
ATOM      0  H   SER A  20     -12.054  -3.671  -4.444  1.00  6.80           H   new
ATOM      0  HA  SER A  20     -11.467  -6.399  -3.925  1.00  6.28           H   new
ATOM      0  HB2 SER A  20     -12.591  -4.836  -6.344  1.00  8.57           H   new
ATOM      0  HB3 SER A  20     -12.132  -6.516  -6.537  1.00  8.57           H   new
ATOM      0  HG  SER A  20     -14.377  -6.279  -5.959  1.00 11.13           H   new
ATOM    327  N   ASP A  21      -9.326  -4.607  -5.273  1.00  7.50           N
ATOM    328  CA  ASP A  21      -8.028  -4.472  -5.859  1.00  7.70           C
ATOM    329  C   ASP A  21      -6.957  -5.231  -5.154  1.00  7.08           C
ATOM    330  O   ASP A  21      -6.933  -5.466  -3.947  1.00  8.11           O
ATOM    331  CB  ASP A  21      -7.566  -3.008  -5.954  1.00 11.00           C
ATOM    332  CG  ASP A  21      -8.505  -2.076  -6.707  1.00 15.32           C
ATOM    333  OD1 ASP A  21      -9.289  -2.382  -7.644  1.00 14.36           O
ATOM    334  OD2 ASP A  21      -8.341  -0.875  -6.361  1.00 18.03           O
ATOM      0  H   ASP A  21      -9.592  -3.798  -4.712  1.00  7.50           H   new
ATOM      0  HA  ASP A  21      -8.164  -4.894  -6.855  1.00  7.70           H   new
ATOM      0  HB2 ASP A  21      -7.430  -2.621  -4.944  1.00 11.00           H   new
ATOM      0  HB3 ASP A  21      -6.590  -2.983  -6.439  1.00 11.00           H   new
ATOM    339  N   THR A  22      -5.985  -5.750  -5.926  1.00  5.37           N
ATOM    340  CA  THR A  22      -4.813  -6.458  -5.512  1.00  6.01           C
ATOM    341  C   THR A  22      -3.858  -5.385  -5.118  1.00  8.01           C
ATOM    342  O   THR A  22      -3.969  -4.232  -5.532  1.00  8.11           O
ATOM    343  CB  THR A  22      -4.114  -7.265  -6.566  1.00  8.92           C
ATOM    344  OG1 THR A  22      -3.827  -6.553  -7.761  1.00 10.22           O
ATOM    345  CG2 THR A  22      -5.064  -8.397  -6.994  1.00  9.65           C
ATOM      0  H   THR A  22      -6.027  -5.664  -6.941  1.00  5.37           H   new
ATOM      0  HA  THR A  22      -5.116  -7.172  -4.746  1.00  6.01           H   new
ATOM      0  HB  THR A  22      -3.173  -7.589  -6.121  1.00  8.92           H   new
ATOM      0  HG1 THR A  22      -3.519  -7.179  -8.449  1.00 10.22           H   new
ATOM      0 HG21 THR A  22      -4.584  -9.004  -7.762  1.00  9.65           H   new
ATOM      0 HG22 THR A  22      -5.298  -9.021  -6.132  1.00  9.65           H   new
ATOM      0 HG23 THR A  22      -5.984  -7.969  -7.392  1.00  9.65           H   new
ATOM    353  N   ILE A  23      -2.991  -5.694  -4.138  1.00  8.32           N
ATOM    354  CA  ILE A  23      -2.105  -4.736  -3.552  1.00  9.92           C
ATOM    355  C   ILE A  23      -0.956  -4.447  -4.455  1.00 10.01           C
ATOM    356  O   ILE A  23      -0.517  -3.304  -4.565  1.00  8.71           O
ATOM    357  CB  ILE A  23      -1.631  -5.291  -2.242  1.00 10.78           C
ATOM    358  CG1 ILE A  23      -2.905  -5.663  -1.465  1.00 11.38           C
ATOM    359  CG2 ILE A  23      -0.798  -4.258  -1.465  1.00 10.90           C
ATOM    360  CD1 ILE A  23      -2.832  -6.165  -0.023  1.00 12.30           C
ATOM      0  H   ILE A  23      -2.903  -6.631  -3.743  1.00  8.32           H   new
ATOM      0  HA  ILE A  23      -2.627  -3.792  -3.393  1.00  9.92           H   new
ATOM      0  HB  ILE A  23      -0.981  -6.154  -2.390  1.00 10.78           H   new
ATOM      0 HG12 ILE A  23      -3.546  -4.782  -1.464  1.00 11.38           H   new
ATOM      0 HG13 ILE A  23      -3.419  -6.430  -2.044  1.00 11.38           H   new
ATOM      0 HG21 ILE A  23      -0.470  -4.692  -0.520  1.00 10.90           H   new
ATOM      0 HG22 ILE A  23       0.073  -3.974  -2.056  1.00 10.90           H   new
ATOM      0 HG23 ILE A  23      -1.406  -3.375  -1.267  1.00 10.90           H   new
ATOM      0 HD11 ILE A  23      -3.838  -6.371   0.342  1.00 12.30           H   new
ATOM      0 HD12 ILE A  23      -2.238  -7.078   0.015  1.00 12.30           H   new
ATOM      0 HD13 ILE A  23      -2.368  -5.404   0.604  1.00 12.30           H   new
ATOM    372  N   GLU A  24      -0.592  -5.410  -5.321  1.00  9.54           N
ATOM    373  CA  GLU A  24       0.205  -5.200  -6.489  1.00 11.81           C
ATOM    374  C   GLU A  24      -0.280  -4.114  -7.386  1.00 11.14           C
ATOM    375  O   GLU A  24       0.569  -3.367  -7.872  1.00 10.62           O
ATOM    376  CB  GLU A  24       0.572  -6.413  -7.361  1.00 19.24           C
ATOM    377  CG  GLU A  24      -0.553  -7.253  -7.967  1.00 27.76           C
ATOM    378  CD  GLU A  24      -0.014  -8.157  -9.067  1.00 32.92           C
ATOM    379  OE1 GLU A  24       1.196  -8.506  -9.101  1.00 34.80           O
ATOM    380  OE2 GLU A  24      -0.845  -8.525  -9.940  1.00 36.51           O
ATOM      0  H   GLU A  24      -0.868  -6.384  -5.200  1.00  9.54           H   new
ATOM      0  HA  GLU A  24       1.126  -4.905  -5.986  1.00 11.81           H   new
ATOM      0  HB2 GLU A  24       1.194  -6.054  -8.181  1.00 19.24           H   new
ATOM      0  HB3 GLU A  24       1.192  -7.077  -6.758  1.00 19.24           H   new
ATOM      0  HG2 GLU A  24      -1.022  -7.857  -7.190  1.00 27.76           H   new
ATOM      0  HG3 GLU A  24      -1.325  -6.599  -8.372  1.00 27.76           H   new
ATOM    387  N   ASN A  25      -1.607  -3.936  -7.520  1.00  9.43           N
ATOM    388  CA  ASN A  25      -2.205  -2.885  -8.283  1.00 10.96           C
ATOM    389  C   ASN A  25      -2.196  -1.564  -7.594  1.00  9.68           C
ATOM    390  O   ASN A  25      -2.019  -0.567  -8.293  1.00  9.33           O
ATOM    391  CB  ASN A  25      -3.674  -3.260  -8.543  1.00 16.78           C
ATOM    392  CG  ASN A  25      -4.388  -2.208  -9.380  1.00 22.31           C
ATOM    393  OD1 ASN A  25      -5.009  -1.301  -8.827  1.00 25.66           O
ATOM    394  ND2 ASN A  25      -4.532  -2.295 -10.729  1.00 24.70           N
ATOM      0  H   ASN A  25      -2.291  -4.550  -7.078  1.00  9.43           H   new
ATOM      0  HA  ASN A  25      -1.619  -2.783  -9.196  1.00 10.96           H   new
ATOM      0  HB2 ASN A  25      -3.718  -4.222  -9.054  1.00 16.78           H   new
ATOM      0  HB3 ASN A  25      -4.192  -3.380  -7.592  1.00 16.78           H   new
ATOM      0 HD21 ASN A  25      -5.128  -1.630 -11.222  1.00 24.70           H   new
ATOM      0 HD22 ASN A  25      -4.044  -3.025 -11.248  1.00 24.70           H   new
ATOM    401  N   VAL A  26      -2.441  -1.467  -6.275  1.00  6.52           N
ATOM    402  CA  VAL A  26      -2.398  -0.269  -5.497  1.00  5.53           C
ATOM    403  C   VAL A  26      -1.046   0.347  -5.608  1.00  4.42           C
ATOM    404  O   VAL A  26      -0.900   1.558  -5.770  1.00  3.40           O
ATOM    405  CB  VAL A  26      -2.577  -0.482  -4.023  1.00  3.86           C
ATOM    406  CG1 VAL A  26      -2.508   0.818  -3.203  1.00  7.25           C
ATOM    407  CG2 VAL A  26      -4.005  -1.025  -3.847  1.00  8.12           C
ATOM      0  H   VAL A  26      -2.686  -2.283  -5.715  1.00  6.52           H   new
ATOM      0  HA  VAL A  26      -3.213   0.340  -5.888  1.00  5.53           H   new
ATOM      0  HB  VAL A  26      -1.782  -1.141  -3.674  1.00  3.86           H   new
ATOM      0 HG11 VAL A  26      -2.645   0.589  -2.146  1.00  7.25           H   new
ATOM      0 HG12 VAL A  26      -1.536   1.289  -3.349  1.00  7.25           H   new
ATOM      0 HG13 VAL A  26      -3.294   1.498  -3.532  1.00  7.25           H   new
ATOM      0 HG21 VAL A  26      -4.199  -1.202  -2.789  1.00  8.12           H   new
ATOM      0 HG22 VAL A  26      -4.721  -0.298  -4.231  1.00  8.12           H   new
ATOM      0 HG23 VAL A  26      -4.109  -1.961  -4.396  1.00  8.12           H   new
ATOM    417  N   LYS A  27       0.010  -0.486  -5.590  1.00  2.64           N
ATOM    418  CA  LYS A  27       1.371  -0.071  -5.727  1.00  4.14           C
ATOM    419  C   LYS A  27       1.715   0.325  -7.121  1.00  5.58           C
ATOM    420  O   LYS A  27       2.604   1.154  -7.306  1.00  4.11           O
ATOM    421  CB  LYS A  27       2.354  -1.184  -5.326  1.00  3.97           C
ATOM    422  CG  LYS A  27       2.118  -1.521  -3.852  1.00  7.45           C
ATOM    423  CD  LYS A  27       3.187  -2.508  -3.377  1.00  9.02           C
ATOM    424  CE  LYS A  27       3.217  -3.882  -4.049  1.00 12.90           C
ATOM    425  NZ  LYS A  27       4.262  -4.704  -3.398  1.00 15.47           N
ATOM      0  H   LYS A  27      -0.090  -1.495  -5.475  1.00  2.64           H   new
ATOM      0  HA  LYS A  27       1.465   0.788  -5.062  1.00  4.14           H   new
ATOM      0  HB2 LYS A  27       2.203  -2.067  -5.947  1.00  3.97           H   new
ATOM      0  HB3 LYS A  27       3.382  -0.857  -5.482  1.00  3.97           H   new
ATOM      0  HG2 LYS A  27       2.153  -0.613  -3.250  1.00  7.45           H   new
ATOM      0  HG3 LYS A  27       1.126  -1.952  -3.721  1.00  7.45           H   new
ATOM      0  HD2 LYS A  27       4.163  -2.042  -3.516  1.00  9.02           H   new
ATOM      0  HD3 LYS A  27       3.056  -2.659  -2.305  1.00  9.02           H   new
ATOM      0  HE2 LYS A  27       2.245  -4.367  -3.961  1.00 12.90           H   new
ATOM      0  HE3 LYS A  27       3.426  -3.778  -5.114  1.00 12.90           H   new
ATOM      0  HZ1 LYS A  27       4.605  -5.422  -4.067  1.00 15.47           H   new
ATOM      0  HZ2 LYS A  27       5.053  -4.094  -3.108  1.00 15.47           H   new
ATOM      0  HZ3 LYS A  27       3.863  -5.174  -2.561  1.00 15.47           H   new
ATOM    439  N   ALA A  28       1.160  -0.336  -8.153  1.00  6.61           N
ATOM    440  CA  ALA A  28       1.358   0.173  -9.474  1.00  7.74           C
ATOM    441  C   ALA A  28       0.729   1.504  -9.702  1.00  9.17           C
ATOM    442  O   ALA A  28       1.279   2.393 -10.351  1.00 11.45           O
ATOM    443  CB  ALA A  28       0.917  -0.881 -10.503  1.00  7.68           C
ATOM      0  H   ALA A  28       0.599  -1.185  -8.082  1.00  6.61           H   new
ATOM      0  HA  ALA A  28       2.424   0.359  -9.602  1.00  7.74           H   new
ATOM      0  HB1 ALA A  28       1.068  -0.492 -11.510  1.00  7.68           H   new
ATOM      0  HB2 ALA A  28       1.508  -1.787 -10.372  1.00  7.68           H   new
ATOM      0  HB3 ALA A  28      -0.138  -1.112 -10.358  1.00  7.68           H   new
ATOM    449  N   LYS A  29      -0.449   1.802  -9.126  1.00  8.96           N
ATOM    450  CA  LYS A  29      -1.036   3.089  -8.911  1.00  7.90           C
ATOM    451  C   LYS A  29      -0.071   4.049  -8.306  1.00  6.92           C
ATOM    452  O   LYS A  29      -0.087   5.202  -8.735  1.00  6.87           O
ATOM    453  CB  LYS A  29      -2.450   3.044  -8.309  1.00 10.28           C
ATOM    454  CG  LYS A  29      -3.229   4.347  -8.114  1.00 14.94           C
ATOM    455  CD  LYS A  29      -4.666   4.037  -7.691  1.00 19.69           C
ATOM    456  CE  LYS A  29      -5.679   3.653  -8.771  1.00 22.63           C
ATOM    457  NZ  LYS A  29      -6.907   3.073  -8.183  1.00 24.98           N
ATOM      0  H   LYS A  29      -1.053   1.059  -8.774  1.00  8.96           H   new
ATOM      0  HA  LYS A  29      -1.245   3.519  -9.890  1.00  7.90           H   new
ATOM      0  HB2 LYS A  29      -3.054   2.394  -8.942  1.00 10.28           H   new
ATOM      0  HB3 LYS A  29      -2.375   2.560  -7.335  1.00 10.28           H   new
ATOM      0  HG2 LYS A  29      -2.742   4.962  -7.357  1.00 14.94           H   new
ATOM      0  HG3 LYS A  29      -3.229   4.923  -9.040  1.00 14.94           H   new
ATOM      0  HD2 LYS A  29      -4.630   3.224  -6.966  1.00 19.69           H   new
ATOM      0  HD3 LYS A  29      -5.054   4.912  -7.169  1.00 19.69           H   new
ATOM      0  HE2 LYS A  29      -5.937   4.534  -9.359  1.00 22.63           H   new
ATOM      0  HE3 LYS A  29      -5.228   2.934  -9.455  1.00 22.63           H   new
ATOM      0  HZ1 LYS A  29      -7.727   3.330  -8.769  1.00 24.98           H   new
ATOM      0  HZ2 LYS A  29      -6.819   2.037  -8.146  1.00 24.98           H   new
ATOM      0  HZ3 LYS A  29      -7.040   3.444  -7.220  1.00 24.98           H   new
ATOM    471  N   ILE A  30       0.778   3.653  -7.340  1.00  4.57           N
ATOM    472  CA  ILE A  30       1.745   4.541  -6.773  1.00  5.58           C
ATOM    473  C   ILE A  30       2.885   4.767  -7.706  1.00  7.26           C
ATOM    474  O   ILE A  30       3.431   5.869  -7.685  1.00  9.46           O
ATOM    475  CB  ILE A  30       2.193   4.123  -5.404  1.00  5.36           C
ATOM    476  CG1 ILE A  30       1.022   3.891  -4.435  1.00  2.94           C
ATOM    477  CG2 ILE A  30       3.175   5.138  -4.795  1.00  2.78           C
ATOM    478  CD1 ILE A  30       1.359   3.171  -3.130  1.00  2.00           C
ATOM      0  H   ILE A  30       0.794   2.711  -6.950  1.00  4.57           H   new
ATOM      0  HA  ILE A  30       1.248   5.501  -6.632  1.00  5.58           H   new
ATOM      0  HB  ILE A  30       2.703   3.170  -5.541  1.00  5.36           H   new
ATOM      0 HG12 ILE A  30       0.584   4.858  -4.189  1.00  2.94           H   new
ATOM      0 HG13 ILE A  30       0.255   3.317  -4.955  1.00  2.94           H   new
ATOM      0 HG21 ILE A  30       3.478   4.802  -3.803  1.00  2.78           H   new
ATOM      0 HG22 ILE A  30       4.054   5.222  -5.434  1.00  2.78           H   new
ATOM      0 HG23 ILE A  30       2.690   6.111  -4.716  1.00  2.78           H   new
ATOM      0 HD11 ILE A  30       0.456   3.065  -2.529  1.00  2.00           H   new
ATOM      0 HD12 ILE A  30       1.764   2.184  -3.353  1.00  2.00           H   new
ATOM      0 HD13 ILE A  30       2.098   3.750  -2.575  1.00  2.00           H   new
ATOM    490  N   GLN A  31       3.297   3.739  -8.469  1.00  7.06           N
ATOM    491  CA  GLN A  31       4.125   3.985  -9.609  1.00  8.67           C
ATOM    492  C   GLN A  31       3.613   5.049 -10.517  1.00 10.90           C
ATOM    493  O   GLN A  31       4.384   5.983 -10.729  1.00  9.63           O
ATOM    494  CB  GLN A  31       4.501   2.708 -10.378  1.00  9.12           C
ATOM    495  CG  GLN A  31       5.522   2.995 -11.481  1.00 10.76           C
ATOM    496  CD  GLN A  31       6.013   1.714 -12.140  1.00 13.78           C
ATOM    497  OE1 GLN A  31       7.204   1.420 -12.045  1.00 14.48           O
ATOM    498  NE2 GLN A  31       5.133   1.010 -12.902  1.00 14.76           N
ATOM      0  H   GLN A  31       3.064   2.760  -8.303  1.00  7.06           H   new
ATOM      0  HA  GLN A  31       5.048   4.378  -9.183  1.00  8.67           H   new
ATOM      0  HB2 GLN A  31       4.910   1.972  -9.685  1.00  9.12           H   new
ATOM      0  HB3 GLN A  31       3.605   2.269 -10.816  1.00  9.12           H   new
ATOM      0  HG2 GLN A  31       5.072   3.642 -12.234  1.00 10.76           H   new
ATOM      0  HG3 GLN A  31       6.370   3.536 -11.061  1.00 10.76           H   new
ATOM      0 HE21 GLN A  31       4.155   1.296 -12.947  1.00 14.76           H   new
ATOM      0 HE22 GLN A  31       5.451   0.196 -13.429  1.00 14.76           H   new
ATOM    507  N   ASP A  32       2.330   5.065 -10.922  1.00 10.93           N
ATOM    508  CA  ASP A  32       1.754   6.077 -11.752  1.00 14.01           C
ATOM    509  C   ASP A  32       1.744   7.433 -11.134  1.00 14.04           C
ATOM    510  O   ASP A  32       1.939   8.397 -11.872  1.00 13.39           O
ATOM    511  CB  ASP A  32       0.367   5.541 -12.148  1.00 18.01           C
ATOM    512  CG  ASP A  32       0.063   6.203 -13.484  1.00 24.33           C
ATOM    513  OD1 ASP A  32       0.574   5.710 -14.525  1.00 26.29           O
ATOM    514  OD2 ASP A  32      -0.718   7.191 -13.452  1.00 25.17           O
ATOM      0  H   ASP A  32       1.664   4.339 -10.658  1.00 10.93           H   new
ATOM      0  HA  ASP A  32       2.362   6.253 -12.640  1.00 14.01           H   new
ATOM      0  HB2 ASP A  32       0.373   4.455 -12.237  1.00 18.01           H   new
ATOM      0  HB3 ASP A  32      -0.384   5.795 -11.400  1.00 18.01           H   new
ATOM    519  N   LYS A  33       1.493   7.619  -9.825  1.00 14.22           N
ATOM    520  CA  LYS A  33       1.407   8.803  -9.029  1.00 14.00           C
ATOM    521  C   LYS A  33       2.763   9.383  -8.820  1.00 12.37           C
ATOM    522  O   LYS A  33       3.085  10.516  -9.176  1.00 12.17           O
ATOM    523  CB  LYS A  33       0.782   8.436  -7.672  1.00 18.62           C
ATOM    524  CG  LYS A  33       0.449   9.629  -6.774  1.00 24.00           C
ATOM    525  CD  LYS A  33      -0.630  10.565  -7.323  1.00 27.61           C
ATOM    526  CE  LYS A  33      -1.311  11.534  -6.355  1.00 27.64           C
ATOM    527  NZ  LYS A  33      -0.312  12.591  -6.085  1.00 30.06           N
ATOM      0  H   LYS A  33       1.325   6.802  -9.239  1.00 14.22           H   new
ATOM      0  HA  LYS A  33       0.790   9.544  -9.538  1.00 14.00           H   new
ATOM      0  HB2 LYS A  33      -0.131   7.868  -7.850  1.00 18.62           H   new
ATOM      0  HB3 LYS A  33       1.468   7.778  -7.138  1.00 18.62           H   new
ATOM      0  HG2 LYS A  33       0.126   9.255  -5.802  1.00 24.00           H   new
ATOM      0  HG3 LYS A  33       1.359  10.205  -6.607  1.00 24.00           H   new
ATOM      0  HD2 LYS A  33      -0.183  11.154  -8.124  1.00 27.61           H   new
ATOM      0  HD3 LYS A  33      -1.406   9.948  -7.776  1.00 27.61           H   new
ATOM      0  HE2 LYS A  33      -2.217  11.953  -6.792  1.00 27.64           H   new
ATOM      0  HE3 LYS A  33      -1.605  11.028  -5.435  1.00 27.64           H   new
ATOM      0  HZ1 LYS A  33      -0.714  13.289  -5.427  1.00 30.06           H   new
ATOM      0  HZ2 LYS A  33       0.537  12.166  -5.662  1.00 30.06           H   new
ATOM      0  HZ3 LYS A  33      -0.056  13.062  -6.976  1.00 30.06           H   new
ATOM    541  N   GLU A  34       3.612   8.659  -8.068  1.00 10.11           N
ATOM    542  CA  GLU A  34       4.835   9.190  -7.551  1.00 10.07           C
ATOM    543  C   GLU A  34       5.982   8.806  -8.422  1.00  9.32           C
ATOM    544  O   GLU A  34       6.538   9.607  -9.172  1.00 11.61           O
ATOM    545  CB  GLU A  34       5.117   8.802  -6.090  1.00 14.77           C
ATOM    546  CG  GLU A  34       4.214   9.541  -5.100  1.00 18.75           C
ATOM    547  CD  GLU A  34       4.554  11.012  -4.904  1.00 22.28           C
ATOM    548  OE1 GLU A  34       5.671  11.437  -5.304  1.00 21.95           O
ATOM    549  OE2 GLU A  34       3.636  11.777  -4.505  1.00 25.19           O
ATOM      0  H   GLU A  34       3.445   7.685  -7.814  1.00 10.11           H   new
ATOM      0  HA  GLU A  34       4.715  10.273  -7.556  1.00 10.07           H   new
ATOM      0  HB2 GLU A  34       4.978   7.728  -5.970  1.00 14.77           H   new
ATOM      0  HB3 GLU A  34       6.160   9.017  -5.856  1.00 14.77           H   new
ATOM      0  HG2 GLU A  34       3.182   9.463  -5.443  1.00 18.75           H   new
ATOM      0  HG3 GLU A  34       4.268   9.038  -4.135  1.00 18.75           H   new
ATOM    556  N   GLY A  35       6.336   7.512  -8.331  1.00  7.22           N
ATOM    557  CA  GLY A  35       7.249   6.815  -9.182  1.00  6.29           C
ATOM    558  C   GLY A  35       8.229   5.882  -8.558  1.00  6.93           C
ATOM    559  O   GLY A  35       9.430   6.144  -8.584  1.00  7.41           O
ATOM      0  H   GLY A  35       5.953   6.907  -7.605  1.00  7.22           H   new
ATOM      0  HA2 GLY A  35       6.662   6.246  -9.903  1.00  6.29           H   new
ATOM      0  HA3 GLY A  35       7.812   7.559  -9.745  1.00  6.29           H   new
ATOM    563  N   ILE A  36       7.732   4.797  -7.937  1.00  5.86           N
ATOM    564  CA  ILE A  36       8.415   3.881  -7.077  1.00  6.07           C
ATOM    565  C   ILE A  36       8.001   2.537  -7.570  1.00  6.36           C
ATOM    566  O   ILE A  36       6.786   2.365  -7.662  1.00  6.18           O
ATOM    567  CB  ILE A  36       8.158   4.087  -5.614  1.00  7.47           C
ATOM    568  CG1 ILE A  36       8.087   5.545  -5.130  1.00  8.52           C
ATOM    569  CG2 ILE A  36       9.283   3.272  -4.954  1.00  7.36           C
ATOM    570  CD1 ILE A  36       7.683   5.734  -3.669  1.00  9.49           C
ATOM      0  H   ILE A  36       6.752   4.538  -8.051  1.00  5.86           H   new
ATOM      0  HA  ILE A  36       9.494   4.025  -7.128  1.00  6.07           H   new
ATOM      0  HB  ILE A  36       7.155   3.758  -5.343  1.00  7.47           H   new
ATOM      0 HG12 ILE A  36       9.062   6.008  -5.282  1.00  8.52           H   new
ATOM      0 HG13 ILE A  36       7.377   6.084  -5.758  1.00  8.52           H   new
ATOM      0 HG21 ILE A  36       9.199   3.347  -3.870  1.00  7.36           H   new
ATOM      0 HG22 ILE A  36       9.199   2.227  -5.253  1.00  7.36           H   new
ATOM      0 HG23 ILE A  36      10.250   3.663  -5.271  1.00  7.36           H   new
ATOM      0 HD11 ILE A  36       7.664   6.798  -3.431  1.00  9.49           H   new
ATOM      0 HD12 ILE A  36       6.693   5.308  -3.507  1.00  9.49           H   new
ATOM      0 HD13 ILE A  36       8.404   5.231  -3.024  1.00  9.49           H   new
ATOM    582  N   PRO A  37       8.824   1.671  -8.082  1.00  8.65           N
ATOM    583  CA  PRO A  37       8.313   0.471  -8.680  1.00  9.18           C
ATOM    584  C   PRO A  37       7.475  -0.391  -7.801  1.00  9.85           C
ATOM    585  O   PRO A  37       7.727  -0.402  -6.597  1.00  8.51           O
ATOM    586  CB  PRO A  37       9.585  -0.226  -9.159  1.00 11.42           C
ATOM    587  CG  PRO A  37      10.614   0.873  -9.467  1.00  9.27           C
ATOM    588  CD  PRO A  37      10.143   2.034  -8.576  1.00  8.33           C
ATOM      0  HA  PRO A  37       7.598   0.698  -9.471  1.00  9.18           H   new
ATOM      0  HB2 PRO A  37       9.963  -0.905  -8.395  1.00 11.42           H   new
ATOM      0  HB3 PRO A  37       9.385  -0.826 -10.047  1.00 11.42           H   new
ATOM      0  HG2 PRO A  37      11.628   0.559  -9.221  1.00  9.27           H   new
ATOM      0  HG3 PRO A  37      10.612   1.146 -10.522  1.00  9.27           H   new
ATOM      0  HD2 PRO A  37      10.836   2.194  -7.750  1.00  8.33           H   new
ATOM      0  HD3 PRO A  37      10.102   2.965  -9.142  1.00  8.33           H   new
ATOM    596  N   PRO A  38       6.590  -1.240  -8.233  1.00  8.71           N
ATOM    597  CA  PRO A  38       5.701  -1.933  -7.346  1.00  9.08           C
ATOM    598  C   PRO A  38       6.359  -3.081  -6.661  1.00  9.28           C
ATOM    599  O   PRO A  38       5.856  -3.558  -5.645  1.00  6.50           O
ATOM    600  CB  PRO A  38       4.622  -2.404  -8.319  1.00 10.31           C
ATOM    601  CG  PRO A  38       5.237  -2.518  -9.723  1.00 10.81           C
ATOM    602  CD  PRO A  38       6.275  -1.387  -9.646  1.00 12.00           C
ATOM      0  HA  PRO A  38       5.334  -1.318  -6.524  1.00  9.08           H   new
ATOM      0  HB2 PRO A  38       4.223  -3.368  -8.002  1.00 10.31           H   new
ATOM      0  HB3 PRO A  38       3.789  -1.701  -8.328  1.00 10.31           H   new
ATOM      0  HG2 PRO A  38       5.693  -3.492  -9.901  1.00 10.81           H   new
ATOM      0  HG3 PRO A  38       4.504  -2.359 -10.514  1.00 10.81           H   new
ATOM      0  HD2 PRO A  38       7.167  -1.633 -10.223  1.00 12.00           H   new
ATOM      0  HD3 PRO A  38       5.876  -0.460 -10.057  1.00 12.00           H   new
ATOM    610  N   ASP A  39       7.528  -3.498  -7.179  1.00 11.20           N
ATOM    611  CA  ASP A  39       8.307  -4.523  -6.557  1.00 14.96           C
ATOM    612  C   ASP A  39       9.001  -3.998  -5.347  1.00 13.99           C
ATOM    613  O   ASP A  39       8.992  -4.608  -4.279  1.00 13.75           O
ATOM    614  CB  ASP A  39       9.331  -5.081  -7.559  1.00 24.16           C
ATOM    615  CG  ASP A  39      10.087  -4.074  -8.415  1.00 31.06           C
ATOM    616  OD1 ASP A  39       9.453  -3.283  -9.163  1.00 34.22           O
ATOM    617  OD2 ASP A  39      11.339  -4.108  -8.280  1.00 35.55           O
ATOM      0  H   ASP A  39       7.936  -3.122  -8.035  1.00 11.20           H   new
ATOM      0  HA  ASP A  39       7.640  -5.326  -6.244  1.00 14.96           H   new
ATOM      0  HB2 ASP A  39      10.062  -5.668  -7.003  1.00 24.16           H   new
ATOM      0  HB3 ASP A  39       8.811  -5.768  -8.226  1.00 24.16           H   new
ATOM    622  N   GLN A  40       9.568  -2.780  -5.425  1.00 11.60           N
ATOM    623  CA  GLN A  40      10.371  -1.997  -4.538  1.00 10.76           C
ATOM    624  C   GLN A  40       9.596  -1.536  -3.352  1.00  8.01           C
ATOM    625  O   GLN A  40      10.078  -1.172  -2.280  1.00  8.96           O
ATOM    626  CB  GLN A  40      10.940  -0.772  -5.273  1.00 11.14           C
ATOM    627  CG  GLN A  40      12.074  -0.025  -4.568  1.00 14.85           C
ATOM    628  CD  GLN A  40      12.648   1.009  -5.526  1.00 16.11           C
ATOM    629  OE1 GLN A  40      12.155   2.136  -5.565  1.00 20.52           O
ATOM    630  NE2 GLN A  40      13.737   0.677  -6.270  1.00 18.16           N
ATOM      0  H   GLN A  40       9.428  -2.250  -6.285  1.00 11.60           H   new
ATOM      0  HA  GLN A  40      11.184  -2.635  -4.193  1.00 10.76           H   new
ATOM      0  HB2 GLN A  40      11.299  -1.095  -6.250  1.00 11.14           H   new
ATOM      0  HB3 GLN A  40      10.125  -0.070  -5.449  1.00 11.14           H   new
ATOM      0  HG2 GLN A  40      11.703   0.461  -3.666  1.00 14.85           H   new
ATOM      0  HG3 GLN A  40      12.851  -0.724  -4.257  1.00 14.85           H   new
ATOM      0 HE21 GLN A  40      14.123  -0.266  -6.216  1.00 18.16           H   new
ATOM      0 HE22 GLN A  40      14.168   1.371  -6.882  1.00 18.16           H   new
ATOM    639  N   GLN A  41       8.271  -1.414  -3.544  1.00  6.52           N
ATOM    640  CA  GLN A  41       7.468  -1.012  -2.431  1.00  3.87           C
ATOM    641  C   GLN A  41       7.067  -2.202  -1.629  1.00  4.79           C
ATOM    642  O   GLN A  41       6.577  -3.187  -2.178  1.00  6.34           O
ATOM    643  CB  GLN A  41       6.197  -0.337  -2.974  1.00  4.20           C
ATOM    644  CG  GLN A  41       6.424   0.940  -3.786  1.00  3.20           C
ATOM    645  CD  GLN A  41       5.118   1.412  -4.409  1.00  4.89           C
ATOM    646  OE1 GLN A  41       4.237   1.691  -3.598  1.00  5.21           O
ATOM    647  NE2 GLN A  41       4.940   1.547  -5.750  1.00  7.13           N
ATOM      0  H   GLN A  41       7.775  -1.583  -4.419  1.00  6.52           H   new
ATOM      0  HA  GLN A  41       8.037  -0.329  -1.799  1.00  3.87           H   new
ATOM      0  HB2 GLN A  41       5.665  -1.054  -3.599  1.00  4.20           H   new
ATOM      0  HB3 GLN A  41       5.545  -0.101  -2.133  1.00  4.20           H   new
ATOM      0  HG2 GLN A  41       6.830   1.720  -3.142  1.00  3.20           H   new
ATOM      0  HG3 GLN A  41       7.161   0.755  -4.567  1.00  3.20           H   new
ATOM      0 HE21 GLN A  41       5.695   1.305  -6.392  1.00  7.13           H   new
ATOM      0 HE22 GLN A  41       4.051   1.890  -6.115  1.00  7.13           H   new
ATOM    656  N   ARG A  42       7.163  -2.101  -0.291  1.00  5.73           N
ATOM    657  CA  ARG A  42       6.554  -3.054   0.584  1.00  6.97           C
ATOM    658  C   ARG A  42       5.622  -2.267   1.440  1.00  7.15           C
ATOM    659  O   ARG A  42       6.013  -1.423   2.244  1.00  7.33           O
ATOM    660  CB  ARG A  42       7.630  -3.743   1.440  1.00 13.23           C
ATOM    661  CG  ARG A  42       7.146  -4.548   2.648  1.00 21.27           C
ATOM    662  CD  ARG A  42       8.209  -5.344   3.408  1.00 26.14           C
ATOM    663  NE  ARG A  42       7.574  -5.984   4.594  1.00 32.26           N
ATOM    664  CZ  ARG A  42       8.270  -6.390   5.696  1.00 34.32           C
ATOM    665  NH1 ARG A  42       9.627  -6.337   5.825  1.00 35.30           N
ATOM    666  NH2 ARG A  42       7.444  -6.898   6.657  1.00 36.39           N
ATOM      0  H   ARG A  42       7.666  -1.354   0.187  1.00  5.73           H   new
ATOM      0  HA  ARG A  42       6.029  -3.838   0.039  1.00  6.97           H   new
ATOM      0  HB2 ARG A  42       8.200  -4.411   0.794  1.00 13.23           H   new
ATOM      0  HB3 ARG A  42       8.320  -2.978   1.797  1.00 13.23           H   new
ATOM      0  HG2 ARG A  42       6.670  -3.861   3.347  1.00 21.27           H   new
ATOM      0  HG3 ARG A  42       6.377  -5.242   2.309  1.00 21.27           H   new
ATOM      0  HD2 ARG A  42       8.648  -6.103   2.760  1.00 26.14           H   new
ATOM      0  HD3 ARG A  42       9.019  -4.686   3.723  1.00 26.14           H   new
ATOM      0  HE  ARG A  42       6.564  -6.127   4.582  1.00 32.26           H   new
ATOM      0 HH11 ARG A  42      10.198  -5.973   5.062  1.00 35.30           H   new
ATOM      0 HH12 ARG A  42      10.071  -6.661   6.684  1.00 35.30           H   new
ATOM      0 HH21 ARG A  42       6.437  -6.936   6.496  1.00 36.39           H   new
ATOM      0 HH22 ARG A  42       7.833  -7.240   7.536  1.00 36.39           H   new
ATOM    680  N   LEU A  43       4.307  -2.545   1.393  1.00  4.65           N
ATOM    681  CA  LEU A  43       3.229  -1.970   2.136  1.00  3.51           C
ATOM    682  C   LEU A  43       2.924  -2.753   3.367  1.00  5.56           C
ATOM    683  O   LEU A  43       2.734  -3.968   3.374  1.00  4.19           O
ATOM    684  CB  LEU A  43       1.913  -1.875   1.346  1.00  3.74           C
ATOM    685  CG  LEU A  43       2.055  -0.748   0.310  1.00  6.32           C
ATOM    686  CD1 LEU A  43       0.795  -0.645  -0.567  1.00  6.41           C
ATOM    687  CD2 LEU A  43       2.409   0.600   0.960  1.00  9.55           C
ATOM      0  H   LEU A  43       3.962  -3.261   0.754  1.00  4.65           H   new
ATOM      0  HA  LEU A  43       3.584  -0.968   2.376  1.00  3.51           H   new
ATOM      0  HB2 LEU A  43       1.698  -2.822   0.851  1.00  3.74           H   new
ATOM      0  HB3 LEU A  43       1.080  -1.670   2.018  1.00  3.74           H   new
ATOM      0  HG  LEU A  43       2.893  -1.007  -0.338  1.00  6.32           H   new
ATOM      0 HD11 LEU A  43       0.921   0.160  -1.292  1.00  6.41           H   new
ATOM      0 HD12 LEU A  43       0.640  -1.587  -1.094  1.00  6.41           H   new
ATOM      0 HD13 LEU A  43      -0.070  -0.435   0.062  1.00  6.41           H   new
ATOM      0 HD21 LEU A  43       2.498   1.364   0.188  1.00  9.55           H   new
ATOM      0 HD22 LEU A  43       1.624   0.883   1.661  1.00  9.55           H   new
ATOM      0 HD23 LEU A  43       3.356   0.510   1.492  1.00  9.55           H   new
ATOM    699  N   ILE A  44       3.008  -2.139   4.560  1.00  4.58           N
ATOM    700  CA  ILE A  44       2.620  -2.750   5.793  1.00  5.55           C
ATOM    701  C   ILE A  44       1.373  -2.076   6.254  1.00  5.46           C
ATOM    702  O   ILE A  44       1.377  -0.846   6.272  1.00  6.04           O
ATOM    703  CB  ILE A  44       3.652  -2.620   6.874  1.00  6.80           C
ATOM    704  CG1 ILE A  44       5.040  -2.962   6.306  1.00 10.31           C
ATOM    705  CG2 ILE A  44       3.304  -3.392   8.158  1.00  7.39           C
ATOM    706  CD1 ILE A  44       6.308  -2.767   7.135  1.00 13.90           C
ATOM      0  H   ILE A  44       3.357  -1.187   4.670  1.00  4.58           H   new
ATOM      0  HA  ILE A  44       2.485  -3.816   5.608  1.00  5.55           H   new
ATOM      0  HB  ILE A  44       3.667  -1.580   7.201  1.00  6.80           H   new
ATOM      0 HG12 ILE A  44       5.012  -4.011   6.010  1.00 10.31           H   new
ATOM      0 HG13 ILE A  44       5.163  -2.377   5.395  1.00 10.31           H   new
ATOM      0 HG21 ILE A  44       4.096  -3.251   8.893  1.00  7.39           H   new
ATOM      0 HG22 ILE A  44       2.363  -3.020   8.562  1.00  7.39           H   new
ATOM      0 HG23 ILE A  44       3.206  -4.453   7.929  1.00  7.39           H   new
ATOM      0 HD11 ILE A  44       7.176  -3.068   6.548  1.00 13.90           H   new
ATOM      0 HD12 ILE A  44       6.404  -1.717   7.412  1.00 13.90           H   new
ATOM      0 HD13 ILE A  44       6.250  -3.377   8.037  1.00 13.90           H   new
ATOM    718  N   PHE A  45       0.292  -2.734   6.708  1.00  6.75           N
ATOM    719  CA  PHE A  45      -0.754  -2.099   7.449  1.00  4.70           C
ATOM    720  C   PHE A  45      -0.328  -2.265   8.867  1.00  6.34           C
ATOM    721  O   PHE A  45       0.083  -1.245   9.417  1.00  5.45           O
ATOM    722  CB  PHE A  45      -2.125  -2.753   7.211  1.00  5.51           C
ATOM    723  CG  PHE A  45      -3.166  -2.028   7.993  1.00  5.98           C
ATOM    724  CD1 PHE A  45      -3.400  -0.674   7.963  1.00  6.86           C
ATOM    725  CD2 PHE A  45      -4.011  -2.816   8.738  1.00  5.87           C
ATOM    726  CE1 PHE A  45      -4.320  -0.142   8.836  1.00  6.68           C
ATOM    727  CE2 PHE A  45      -5.001  -2.314   9.549  1.00  6.64           C
ATOM    728  CZ  PHE A  45      -5.223  -0.959   9.475  1.00  6.84           C
ATOM      0  H   PHE A  45       0.141  -3.731   6.557  1.00  6.75           H   new
ATOM      0  HA  PHE A  45      -0.887  -1.058   7.153  1.00  4.70           H   new
ATOM      0  HB2 PHE A  45      -2.371  -2.730   6.149  1.00  5.51           H   new
ATOM      0  HB3 PHE A  45      -2.096  -3.801   7.509  1.00  5.51           H   new
ATOM      0  HD1 PHE A  45      -2.871  -0.040   7.267  1.00  6.86           H   new
ATOM      0  HD2 PHE A  45      -3.890  -3.888   8.683  1.00  5.87           H   new
ATOM      0  HE1 PHE A  45      -4.333   0.922   9.021  1.00  6.68           H   new
ATOM      0  HE2 PHE A  45      -5.573  -2.949  10.209  1.00  6.64           H   new
ATOM      0  HZ  PHE A  45      -6.110  -0.534   9.921  1.00  6.84           H   new
ATOM    738  N   ALA A  46      -0.409  -3.472   9.454  1.00  6.53           N
ATOM    739  CA  ALA A  46      -0.173  -3.691  10.847  1.00  7.15           C
ATOM    740  C   ALA A  46       0.746  -4.859  10.958  1.00  9.00           C
ATOM    741  O   ALA A  46       1.791  -4.986  10.321  1.00 11.15           O
ATOM    742  CB  ALA A  46      -1.502  -4.032  11.543  1.00  8.99           C
ATOM      0  H   ALA A  46      -0.646  -4.322   8.943  1.00  6.53           H   new
ATOM      0  HA  ALA A  46       0.256  -2.804  11.313  1.00  7.15           H   new
ATOM      0  HB1 ALA A  46      -1.324  -4.199  12.605  1.00  8.99           H   new
ATOM      0  HB2 ALA A  46      -2.201  -3.205  11.418  1.00  8.99           H   new
ATOM      0  HB3 ALA A  46      -1.924  -4.934  11.099  1.00  8.99           H   new
ATOM    748  N   GLY A  47       0.442  -5.691  11.970  1.00  9.35           N
ATOM    749  CA  GLY A  47       1.282  -6.813  12.253  1.00 11.68           C
ATOM    750  C   GLY A  47       1.457  -7.945  11.301  1.00 11.14           C
ATOM    751  O   GLY A  47       2.502  -8.593  11.248  1.00 13.93           O
ATOM      0  H   GLY A  47      -0.368  -5.591  12.581  1.00  9.35           H   new
ATOM      0  HA2 GLY A  47       2.277  -6.415  12.450  1.00 11.68           H   new
ATOM      0  HA3 GLY A  47       0.921  -7.244  13.187  1.00 11.68           H   new
ATOM    755  N   LYS A  48       0.535  -8.236  10.366  1.00 10.47           N
ATOM    756  CA  LYS A  48       0.733  -9.243   9.370  1.00  8.82           C
ATOM    757  C   LYS A  48       1.617  -8.924   8.214  1.00  7.68           C
ATOM    758  O   LYS A  48       2.021  -7.793   7.948  1.00  6.47           O
ATOM    759  CB  LYS A  48      -0.604  -9.647   8.727  1.00  9.74           C
ATOM    760  CG  LYS A  48      -1.553 -10.429   9.637  1.00 14.14           C
ATOM    761  CD  LYS A  48      -2.972 -10.507   9.071  1.00 16.32           C
ATOM    762  CE  LYS A  48      -3.930 -11.302   9.961  1.00 20.04           C
ATOM    763  NZ  LYS A  48      -3.714 -12.760   9.829  1.00 23.92           N
ATOM      0  H   LYS A  48      -0.366  -7.762  10.300  1.00 10.47           H   new
ATOM      0  HA  LYS A  48       1.223 -10.018   9.959  1.00  8.82           H   new
ATOM      0  HB2 LYS A  48      -1.113  -8.745   8.387  1.00  9.74           H   new
ATOM      0  HB3 LYS A  48      -0.396 -10.249   7.842  1.00  9.74           H   new
ATOM      0  HG2 LYS A  48      -1.166 -11.438   9.780  1.00 14.14           H   new
ATOM      0  HG3 LYS A  48      -1.582  -9.957  10.619  1.00 14.14           H   new
ATOM      0  HD2 LYS A  48      -3.361  -9.497   8.940  1.00 16.32           H   new
ATOM      0  HD3 LYS A  48      -2.938 -10.966   8.083  1.00 16.32           H   new
ATOM      0  HE2 LYS A  48      -3.792 -11.006  11.001  1.00 20.04           H   new
ATOM      0  HE3 LYS A  48      -4.959 -11.061   9.695  1.00 20.04           H   new
ATOM      0  HZ1 LYS A  48      -4.380 -13.267  10.446  1.00 23.92           H   new
ATOM      0  HZ2 LYS A  48      -3.870 -13.046   8.841  1.00 23.92           H   new
ATOM      0  HZ3 LYS A  48      -2.739 -12.993  10.107  1.00 23.92           H   new
ATOM    777  N   GLN A  49       2.054  -9.991   7.520  1.00  8.89           N
ATOM    778  CA  GLN A  49       2.679  -9.808   6.247  1.00  7.18           C
ATOM    779  C   GLN A  49       1.678  -9.716   5.147  1.00  8.23           C
ATOM    780  O   GLN A  49       0.740 -10.509   5.102  1.00  9.70           O
ATOM    781  CB  GLN A  49       3.453 -11.062   5.810  1.00 11.67           C
ATOM    782  CG  GLN A  49       4.542 -11.466   6.806  1.00 15.82           C
ATOM    783  CD  GLN A  49       5.675 -10.455   6.700  1.00 20.21           C
ATOM    784  OE1 GLN A  49       6.238 -10.387   5.609  1.00 23.23           O
ATOM    785  NE2 GLN A  49       6.080  -9.759   7.796  1.00 20.67           N
ATOM      0  H   GLN A  49       1.977 -10.959   7.831  1.00  8.89           H   new
ATOM      0  HA  GLN A  49       3.291  -8.916   6.381  1.00  7.18           H   new
ATOM      0  HB2 GLN A  49       2.754 -11.890   5.687  1.00 11.67           H   new
ATOM      0  HB3 GLN A  49       3.907 -10.881   4.836  1.00 11.67           H   new
ATOM      0  HG2 GLN A  49       4.143 -11.486   7.820  1.00 15.82           H   new
ATOM      0  HG3 GLN A  49       4.905 -12.470   6.587  1.00 15.82           H   new
ATOM      0 HE21 GLN A  49       5.574  -9.855   8.676  1.00 20.67           H   new
ATOM      0 HE22 GLN A  49       6.890  -9.141   7.737  1.00 20.67           H   new
ATOM    794  N   LEU A  50       1.815  -8.740   4.231  1.00  6.51           N
ATOM    795  CA  LEU A  50       0.907  -8.655   3.129  1.00  7.41           C
ATOM    796  C   LEU A  50       1.445  -9.382   1.945  1.00  8.27           C
ATOM    797  O   LEU A  50       2.556  -9.125   1.484  1.00  8.34           O
ATOM    798  CB  LEU A  50       0.667  -7.214   2.647  1.00  7.13           C
ATOM    799  CG  LEU A  50      -0.235  -6.330   3.525  1.00  7.53           C
ATOM    800  CD1 LEU A  50      -0.209  -4.882   3.007  1.00  9.11           C
ATOM    801  CD2 LEU A  50      -1.682  -6.786   3.780  1.00  8.14           C
ATOM      0  H   LEU A  50       2.540  -8.022   4.251  1.00  6.51           H   new
ATOM      0  HA  LEU A  50      -0.022  -9.086   3.502  1.00  7.41           H   new
ATOM      0  HB2 LEU A  50       1.635  -6.722   2.551  1.00  7.13           H   new
ATOM      0  HB3 LEU A  50       0.232  -7.258   1.649  1.00  7.13           H   new
ATOM      0  HG  LEU A  50       0.214  -6.424   4.514  1.00  7.53           H   new
ATOM      0 HD11 LEU A  50      -0.850  -4.260   3.632  1.00  9.11           H   new
ATOM      0 HD12 LEU A  50       0.812  -4.501   3.042  1.00  9.11           H   new
ATOM      0 HD13 LEU A  50      -0.571  -4.857   1.979  1.00  9.11           H   new
ATOM      0 HD21 LEU A  50      -2.186  -6.058   4.415  1.00  8.14           H   new
ATOM      0 HD22 LEU A  50      -2.211  -6.867   2.830  1.00  8.14           H   new
ATOM      0 HD23 LEU A  50      -1.676  -7.757   4.276  1.00  8.14           H   new
ATOM    813  N   GLU A  51       0.606 -10.215   1.303  1.00  9.43           N
ATOM    814  CA  GLU A  51       0.817 -10.840   0.034  1.00 11.90           C
ATOM    815  C   GLU A  51       0.208  -9.970  -1.012  1.00 11.49           C
ATOM    816  O   GLU A  51      -0.935  -9.527  -0.913  1.00  9.88           O
ATOM    817  CB  GLU A  51       0.348 -12.303  -0.019  1.00 16.56           C
ATOM    818  CG  GLU A  51       0.476 -12.997  -1.377  1.00 26.06           C
ATOM    819  CD  GLU A  51       0.071 -14.461  -1.294  1.00 29.86           C
ATOM    820  OE1 GLU A  51       0.341 -15.147  -0.272  1.00 33.44           O
ATOM    821  OE2 GLU A  51      -0.655 -14.931  -2.210  1.00 32.13           O
ATOM      0  H   GLU A  51      -0.295 -10.471   1.707  1.00  9.43           H   new
ATOM      0  HA  GLU A  51       1.887 -10.926  -0.154  1.00 11.90           H   new
ATOM      0  HB2 GLU A  51       0.918 -12.874   0.714  1.00 16.56           H   new
ATOM      0  HB3 GLU A  51      -0.697 -12.341   0.290  1.00 16.56           H   new
ATOM      0  HG2 GLU A  51      -0.150 -12.486  -2.109  1.00 26.06           H   new
ATOM      0  HG3 GLU A  51       1.505 -12.922  -1.730  1.00 26.06           H   new
ATOM    828  N   ASP A  52       1.018  -9.532  -1.992  1.00 12.71           N
ATOM    829  CA  ASP A  52       0.714  -8.523  -2.958  1.00 16.56           C
ATOM    830  C   ASP A  52      -0.338  -8.915  -3.939  1.00 15.83           C
ATOM    831  O   ASP A  52      -1.018  -8.083  -4.537  1.00 17.21           O
ATOM    832  CB  ASP A  52       2.004  -7.970  -3.586  1.00 21.05           C
ATOM    833  CG  ASP A  52       3.175  -7.657  -2.665  1.00 25.12           C
ATOM    834  OD1 ASP A  52       3.104  -6.596  -1.988  1.00 28.37           O
ATOM    835  OD2 ASP A  52       4.212  -8.370  -2.599  1.00 25.82           O
ATOM      0  H   ASP A  52       1.956  -9.913  -2.117  1.00 12.71           H   new
ATOM      0  HA  ASP A  52       0.244  -7.695  -2.427  1.00 16.56           H   new
ATOM      0  HB2 ASP A  52       2.348  -8.690  -4.329  1.00 21.05           H   new
ATOM      0  HB3 ASP A  52       1.748  -7.056  -4.122  1.00 21.05           H   new
ATOM    840  N   GLY A  53      -0.491 -10.233  -4.157  1.00 15.00           N
ATOM    841  CA  GLY A  53      -1.425 -10.839  -5.055  1.00 11.77           C
ATOM    842  C   GLY A  53      -2.802 -11.101  -4.550  1.00 11.10           C
ATOM    843  O   GLY A  53      -3.669 -11.517  -5.316  1.00 11.25           O
ATOM      0  H   GLY A  53       0.080 -10.924  -3.670  1.00 15.00           H   new
ATOM      0  HA2 GLY A  53      -1.506 -10.201  -5.935  1.00 11.77           H   new
ATOM      0  HA3 GLY A  53      -1.004 -11.788  -5.387  1.00 11.77           H   new
ATOM    847  N   ARG A  54      -3.084 -10.809  -3.268  1.00  8.53           N
ATOM    848  CA  ARG A  54      -4.424 -10.893  -2.776  1.00  9.05           C
ATOM    849  C   ARG A  54      -4.949  -9.506  -2.632  1.00  8.96           C
ATOM    850  O   ARG A  54      -4.329  -8.514  -3.012  1.00 11.60           O
ATOM    851  CB  ARG A  54      -4.433 -11.730  -1.485  1.00  7.97           C
ATOM    852  CG  ARG A  54      -3.832 -13.126  -1.660  1.00  9.62           C
ATOM    853  CD  ARG A  54      -3.844 -13.931  -0.359  1.00 12.20           C
ATOM    854  NE  ARG A  54      -3.258 -15.284  -0.576  1.00 18.23           N
ATOM    855  CZ  ARG A  54      -4.109 -16.334  -0.761  1.00 22.08           C
ATOM    856  NH1 ARG A  54      -5.473 -16.341  -0.701  1.00 23.38           N
ATOM    857  NH2 ARG A  54      -3.594 -17.513  -1.219  1.00 25.50           N
ATOM      0  H   ARG A  54      -2.392 -10.517  -2.578  1.00  8.53           H   new
ATOM      0  HA  ARG A  54      -5.095 -11.410  -3.462  1.00  9.05           H   new
ATOM      0  HB2 ARG A  54      -3.878 -11.198  -0.712  1.00  7.97           H   new
ATOM      0  HB3 ARG A  54      -5.459 -11.826  -1.131  1.00  7.97           H   new
ATOM      0  HG2 ARG A  54      -4.391 -13.666  -2.424  1.00  9.62           H   new
ATOM      0  HG3 ARG A  54      -2.807 -13.035  -2.019  1.00  9.62           H   new
ATOM      0  HD2 ARG A  54      -3.278 -13.402   0.408  1.00 12.20           H   new
ATOM      0  HD3 ARG A  54      -4.866 -14.026   0.007  1.00 12.20           H   new
ATOM      0  HE  ARG A  54      -2.247 -15.421  -0.586  1.00 18.23           H   new
ATOM      0 HH11 ARG A  54      -5.979 -15.480  -0.495  1.00 23.38           H   new
ATOM      0 HH12 ARG A  54      -5.986 -17.208  -0.862  1.00 23.38           H   new
ATOM      0 HH21 ARG A  54      -2.596 -17.592  -1.414  1.00 25.50           H   new
ATOM      0 HH22 ARG A  54      -4.207 -18.314  -1.366  1.00 25.50           H   new
ATOM    871  N   THR A  55      -6.182  -9.388  -2.110  1.00  9.05           N
ATOM    872  CA  THR A  55      -6.789  -8.094  -2.079  1.00  9.03           C
ATOM    873  C   THR A  55      -6.736  -7.386  -0.769  1.00  8.15           C
ATOM    874  O   THR A  55      -6.354  -7.927   0.268  1.00  5.91           O
ATOM    875  CB  THR A  55      -8.222  -8.127  -2.522  1.00 11.15           C
ATOM    876  OG1 THR A  55      -9.062  -8.715  -1.539  1.00 11.95           O
ATOM    877  CG2 THR A  55      -8.371  -8.972  -3.798  1.00 11.71           C
ATOM      0  H   THR A  55      -6.739 -10.151  -1.725  1.00  9.05           H   new
ATOM      0  HA  THR A  55      -6.172  -7.531  -2.779  1.00  9.03           H   new
ATOM      0  HB  THR A  55      -8.515  -7.092  -2.695  1.00 11.15           H   new
ATOM      0  HG1 THR A  55      -9.105  -9.683  -1.683  1.00 11.95           H   new
ATOM      0 HG21 THR A  55      -9.417  -8.985  -4.106  1.00 11.71           H   new
ATOM      0 HG22 THR A  55      -7.764  -8.540  -4.594  1.00 11.71           H   new
ATOM      0 HG23 THR A  55      -8.038  -9.991  -3.601  1.00 11.71           H   new
ATOM    885  N   LEU A  56      -7.275  -6.154  -0.767  1.00  6.91           N
ATOM    886  CA  LEU A  56      -7.607  -5.298   0.330  1.00  8.29           C
ATOM    887  C   LEU A  56      -8.722  -5.840   1.156  1.00  8.05           C
ATOM    888  O   LEU A  56      -8.797  -5.825   2.384  1.00 10.17           O
ATOM    889  CB  LEU A  56      -7.877  -3.897  -0.245  1.00  6.60           C
ATOM    890  CG  LEU A  56      -6.697  -3.261  -0.999  1.00  7.73           C
ATOM    891  CD1 LEU A  56      -7.087  -1.839  -1.438  1.00  8.64           C
ATOM    892  CD2 LEU A  56      -5.532  -3.112  -0.007  1.00  9.85           C
ATOM      0  H   LEU A  56      -7.506  -5.704  -1.652  1.00  6.91           H   new
ATOM      0  HA  LEU A  56      -6.777  -5.236   1.033  1.00  8.29           H   new
ATOM      0  HB2 LEU A  56      -8.730  -3.957  -0.921  1.00  6.60           H   new
ATOM      0  HB3 LEU A  56      -8.164  -3.235   0.572  1.00  6.60           H   new
ATOM      0  HG  LEU A  56      -6.431  -3.876  -1.859  1.00  7.73           H   new
ATOM      0 HD11 LEU A  56      -6.255  -1.382  -1.973  1.00  8.64           H   new
ATOM      0 HD12 LEU A  56      -7.957  -1.886  -2.093  1.00  8.64           H   new
ATOM      0 HD13 LEU A  56      -7.326  -1.240  -0.559  1.00  8.64           H   new
ATOM      0 HD21 LEU A  56      -4.678  -2.662  -0.514  1.00  9.85           H   new
ATOM      0 HD22 LEU A  56      -5.839  -2.474   0.822  1.00  9.85           H   new
ATOM      0 HD23 LEU A  56      -5.252  -4.094   0.375  1.00  9.85           H   new
ATOM    904  N   SER A  57      -9.725  -6.505   0.556  1.00  8.92           N
ATOM    905  CA  SER A  57     -10.884  -7.079   1.169  1.00  9.00           C
ATOM    906  C   SER A  57     -10.567  -8.310   1.946  1.00  9.44           C
ATOM    907  O   SER A  57     -11.105  -8.421   3.046  1.00 10.91           O
ATOM    908  CB  SER A  57     -11.937  -7.377   0.088  1.00 10.32           C
ATOM    909  OG  SER A  57     -13.130  -7.869   0.679  1.00 13.59           O
ATOM      0  H   SER A  57      -9.723  -6.654  -0.453  1.00  8.92           H   new
ATOM      0  HA  SER A  57     -11.279  -6.355   1.882  1.00  9.00           H   new
ATOM      0  HB2 SER A  57     -12.152  -6.471  -0.479  1.00 10.32           H   new
ATOM      0  HB3 SER A  57     -11.545  -8.109  -0.618  1.00 10.32           H   new
ATOM      0  HG  SER A  57     -13.791  -8.052  -0.021  1.00 13.59           H   new
ATOM    915  N   ASP A  58      -9.635  -9.179   1.513  1.00  9.11           N
ATOM    916  CA  ASP A  58      -9.130 -10.365   2.132  1.00  7.91           C
ATOM    917  C   ASP A  58      -8.361 -10.036   3.365  1.00  9.12           C
ATOM    918  O   ASP A  58      -8.447 -10.743   4.368  1.00  8.61           O
ATOM    919  CB  ASP A  58      -8.241 -11.139   1.144  1.00  8.41           C
ATOM    920  CG  ASP A  58      -9.062 -11.478  -0.092  1.00 11.50           C
ATOM    921  OD1 ASP A  58     -10.270 -11.828  -0.025  1.00 10.05           O
ATOM    922  OD2 ASP A  58      -8.543 -11.274  -1.222  1.00 11.70           O
ATOM      0  H   ASP A  58      -9.181  -9.025   0.613  1.00  9.11           H   new
ATOM      0  HA  ASP A  58      -9.977 -10.990   2.415  1.00  7.91           H   new
ATOM      0  HB2 ASP A  58      -7.373 -10.540   0.868  1.00  8.41           H   new
ATOM      0  HB3 ASP A  58      -7.865 -12.050   1.609  1.00  8.41           H   new
ATOM    927  N   TYR A  59      -7.577  -8.944   3.386  1.00  7.97           N
ATOM    928  CA  TYR A  59      -6.856  -8.492   4.536  1.00  8.45           C
ATOM    929  C   TYR A  59      -7.695  -7.575   5.358  1.00 10.98           C
ATOM    930  O   TYR A  59      -7.270  -7.037   6.379  1.00 12.95           O
ATOM    931  CB  TYR A  59      -5.511  -7.815   4.221  1.00  7.94           C
ATOM    932  CG  TYR A  59      -4.505  -8.773   3.681  1.00  6.91           C
ATOM    933  CD1 TYR A  59      -4.049  -9.819   4.447  1.00  6.98           C
ATOM    934  CD2 TYR A  59      -4.033  -8.695   2.392  1.00  4.59           C
ATOM    935  CE1 TYR A  59      -3.241 -10.823   3.967  1.00  6.52           C
ATOM    936  CE2 TYR A  59      -3.140  -9.645   1.956  1.00  5.39           C
ATOM    937  CZ  TYR A  59      -2.742 -10.739   2.688  1.00  6.76           C
ATOM    938  OH  TYR A  59      -1.850 -11.734   2.235  1.00  7.63           O
ATOM      0  H   TYR A  59      -7.439  -8.351   2.568  1.00  7.97           H   new
ATOM      0  HA  TYR A  59      -6.620  -9.397   5.095  1.00  8.45           H   new
ATOM      0  HB2 TYR A  59      -5.671  -7.015   3.499  1.00  7.94           H   new
ATOM      0  HB3 TYR A  59      -5.119  -7.353   5.127  1.00  7.94           H   new
ATOM      0  HD1 TYR A  59      -4.342  -9.855   5.486  1.00  6.98           H   new
ATOM      0  HD2 TYR A  59      -4.358  -7.902   1.734  1.00  4.59           H   new
ATOM      0  HE1 TYR A  59      -3.000 -11.672   4.590  1.00  6.52           H   new
ATOM      0  HE2 TYR A  59      -2.721  -9.523   0.968  1.00  5.39           H   new
ATOM      0  HH  TYR A  59      -2.290 -12.609   2.270  1.00  7.63           H   new
ATOM    948  N   ASN A  60      -8.911  -7.249   4.883  1.00 12.38           N
ATOM    949  CA  ASN A  60      -9.956  -6.440   5.429  1.00 13.94           C
ATOM    950  C   ASN A  60      -9.487  -5.055   5.716  1.00 14.16           C
ATOM    951  O   ASN A  60      -9.571  -4.625   6.866  1.00 14.26           O
ATOM    952  CB  ASN A  60     -10.486  -7.035   6.744  1.00 19.23           C
ATOM    953  CG  ASN A  60     -11.316  -8.269   6.421  1.00 22.65           C
ATOM    954  OD1 ASN A  60     -10.988  -9.396   6.790  1.00 25.45           O
ATOM    955  ND2 ASN A  60     -12.351  -8.064   5.563  1.00 24.09           N
ATOM      0  H   ASN A  60      -9.198  -7.613   3.975  1.00 12.38           H   new
ATOM      0  HA  ASN A  60     -10.746  -6.414   4.678  1.00 13.94           H   new
ATOM      0  HB2 ASN A  60      -9.657  -7.298   7.401  1.00 19.23           H   new
ATOM      0  HB3 ASN A  60     -11.092  -6.300   7.274  1.00 19.23           H   new
ATOM      0 HD21 ASN A  60     -12.882  -8.858   5.205  1.00 24.09           H   new
ATOM      0 HD22 ASN A  60     -12.597  -7.116   5.277  1.00 24.09           H   new
ATOM    962  N   ILE A  61      -9.007  -4.374   4.660  1.00 11.08           N
ATOM    963  CA  ILE A  61      -8.463  -3.051   4.671  1.00 11.78           C
ATOM    964  C   ILE A  61      -9.543  -2.177   4.132  1.00 13.74           C
ATOM    965  O   ILE A  61      -9.916  -2.319   2.969  1.00 14.60           O
ATOM    966  CB  ILE A  61      -7.235  -2.834   3.839  1.00 11.80           C
ATOM    967  CG1 ILE A  61      -6.147  -3.914   3.960  1.00 11.56           C
ATOM    968  CG2 ILE A  61      -6.653  -1.418   3.992  1.00 13.29           C
ATOM    969  CD1 ILE A  61      -5.284  -4.018   5.217  1.00 11.42           C
ATOM      0  H   ILE A  61      -8.999  -4.782   3.725  1.00 11.08           H   new
ATOM      0  HA  ILE A  61      -8.147  -2.837   5.692  1.00 11.78           H   new
ATOM      0  HB  ILE A  61      -7.606  -2.936   2.819  1.00 11.80           H   new
ATOM      0 HG12 ILE A  61      -6.637  -4.879   3.827  1.00 11.56           H   new
ATOM      0 HG13 ILE A  61      -5.469  -3.782   3.116  1.00 11.56           H   new
ATOM      0 HG21 ILE A  61      -5.766  -1.320   3.367  1.00 13.29           H   new
ATOM      0 HG22 ILE A  61      -7.397  -0.684   3.684  1.00 13.29           H   new
ATOM      0 HG23 ILE A  61      -6.383  -1.246   5.034  1.00 13.29           H   new
ATOM      0 HD11 ILE A  61      -4.578  -4.841   5.107  1.00 11.42           H   new
ATOM      0 HD12 ILE A  61      -4.736  -3.087   5.360  1.00 11.42           H   new
ATOM      0 HD13 ILE A  61      -5.922  -4.200   6.082  1.00 11.42           H   new
ATOM    981  N   GLN A  62     -10.094  -1.393   5.076  1.00 13.97           N
ATOM    982  CA  GLN A  62     -11.258  -0.581   4.895  1.00 15.52           C
ATOM    983  C   GLN A  62     -10.859   0.854   4.868  1.00 13.94           C
ATOM    984  O   GLN A  62      -9.698   1.224   5.037  1.00 12.15           O
ATOM    985  CB  GLN A  62     -12.390  -0.939   5.872  1.00 19.53           C
ATOM    986  CG  GLN A  62     -12.523  -2.425   6.210  1.00 26.38           C
ATOM    987  CD  GLN A  62     -13.881  -2.957   6.647  1.00 30.61           C
ATOM    988  OE1 GLN A  62     -14.463  -2.544   7.649  1.00 33.23           O
ATOM    989  NE2 GLN A  62     -14.560  -3.809   5.835  1.00 32.71           N
ATOM      0  H   GLN A  62      -9.706  -1.322   6.017  1.00 13.97           H   new
ATOM      0  HA  GLN A  62     -11.708  -0.793   3.925  1.00 15.52           H   new
ATOM      0  HB2 GLN A  62     -12.235  -0.386   6.798  1.00 19.53           H   new
ATOM      0  HB3 GLN A  62     -13.334  -0.595   5.449  1.00 19.53           H   new
ATOM      0  HG2 GLN A  62     -12.212  -2.993   5.333  1.00 26.38           H   new
ATOM      0  HG3 GLN A  62     -11.810  -2.649   7.003  1.00 26.38           H   new
ATOM      0 HE21 GLN A  62     -14.115  -4.175   4.994  1.00 32.71           H   new
ATOM      0 HE22 GLN A  62     -15.515  -4.082   6.067  1.00 32.71           H   new
ATOM    998  N   LYS A  63     -11.852   1.671   4.474  1.00 11.73           N
ATOM    999  CA  LYS A  63     -11.785   3.085   4.270  1.00 11.97           C
ATOM   1000  C   LYS A  63     -11.060   3.782   5.369  1.00 10.41           C
ATOM   1001  O   LYS A  63     -11.088   3.467   6.557  1.00  9.59           O
ATOM   1002  CB  LYS A  63     -13.125   3.830   4.150  1.00 13.73           C
ATOM   1003  CG  LYS A  63     -13.989   3.832   5.412  1.00 16.98           C
ATOM   1004  CD  LYS A  63     -15.185   4.783   5.330  1.00 20.19           C
ATOM   1005  CE  LYS A  63     -15.759   5.171   6.694  1.00 23.42           C
ATOM   1006  NZ  LYS A  63     -14.761   6.018   7.386  1.00 25.97           N
ATOM      0  H   LYS A  63     -12.785   1.307   4.281  1.00 11.73           H   new
ATOM      0  HA  LYS A  63     -11.269   3.128   3.311  1.00 11.97           H   new
ATOM      0  HB2 LYS A  63     -12.923   4.863   3.867  1.00 13.73           H   new
ATOM      0  HB3 LYS A  63     -13.699   3.383   3.338  1.00 13.73           H   new
ATOM      0  HG2 LYS A  63     -14.351   2.821   5.597  1.00 16.98           H   new
ATOM      0  HG3 LYS A  63     -13.371   4.110   6.266  1.00 16.98           H   new
ATOM      0  HD2 LYS A  63     -14.883   5.688   4.803  1.00 20.19           H   new
ATOM      0  HD3 LYS A  63     -15.970   4.315   4.736  1.00 20.19           H   new
ATOM      0  HE2 LYS A  63     -16.698   5.711   6.573  1.00 23.42           H   new
ATOM      0  HE3 LYS A  63     -15.977   4.280   7.283  1.00 23.42           H   new
ATOM      0  HZ1 LYS A  63     -15.208   6.487   8.199  1.00 25.97           H   new
ATOM      0  HZ2 LYS A  63     -13.973   5.426   7.718  1.00 25.97           H   new
ATOM      0  HZ3 LYS A  63     -14.400   6.737   6.727  1.00 25.97           H   new
ATOM   1020  N   GLU A  64     -10.232   4.757   4.953  1.00 10.04           N
ATOM   1021  CA  GLU A  64      -9.446   5.683   5.708  1.00 10.94           C
ATOM   1022  C   GLU A  64      -8.434   5.069   6.614  1.00  9.74           C
ATOM   1023  O   GLU A  64      -7.801   5.750   7.420  1.00  9.42           O
ATOM   1024  CB  GLU A  64     -10.355   6.763   6.318  1.00 18.31           C
ATOM   1025  CG  GLU A  64     -11.353   7.288   5.284  1.00 24.16           C
ATOM   1026  CD  GLU A  64     -12.499   8.068   5.913  1.00 29.00           C
ATOM   1027  OE1 GLU A  64     -12.188   9.012   6.688  1.00 32.61           O
ATOM   1028  OE2 GLU A  64     -13.729   7.902   5.698  1.00 31.72           O
ATOM      0  H   GLU A  64     -10.100   4.912   3.954  1.00 10.04           H   new
ATOM      0  HA  GLU A  64      -8.778   6.200   5.019  1.00 10.94           H   new
ATOM      0  HB2 GLU A  64     -10.893   6.351   7.171  1.00 18.31           H   new
ATOM      0  HB3 GLU A  64      -9.747   7.586   6.692  1.00 18.31           H   new
ATOM      0  HG2 GLU A  64     -10.830   7.929   4.574  1.00 24.16           H   new
ATOM      0  HG3 GLU A  64     -11.758   6.449   4.718  1.00 24.16           H   new
ATOM   1035  N   SER A  65      -8.185   3.748   6.629  1.00  6.85           N
ATOM   1036  CA  SER A  65      -7.006   3.133   7.156  1.00  6.90           C
ATOM   1037  C   SER A  65      -5.762   3.531   6.440  1.00  4.72           C
ATOM   1038  O   SER A  65      -5.648   3.590   5.217  1.00  3.91           O
ATOM   1039  CB  SER A  65      -7.026   1.597   7.099  1.00  7.28           C
ATOM   1040  OG  SER A  65      -7.965   0.969   7.961  1.00 10.56           O
ATOM      0  H   SER A  65      -8.846   3.069   6.251  1.00  6.85           H   new
ATOM      0  HA  SER A  65      -7.004   3.485   8.188  1.00  6.90           H   new
ATOM      0  HB2 SER A  65      -7.237   1.291   6.074  1.00  7.28           H   new
ATOM      0  HB3 SER A  65      -6.030   1.228   7.343  1.00  7.28           H   new
ATOM      0  HG  SER A  65      -7.907  -0.004   7.855  1.00 10.56           H   new
ATOM   1046  N   THR A  66      -4.655   3.736   7.175  1.00  4.48           N
ATOM   1047  CA  THR A  66      -3.358   4.202   6.791  1.00  3.80           C
ATOM   1048  C   THR A  66      -2.390   3.070   6.737  1.00  4.60           C
ATOM   1049  O   THR A  66      -2.199   2.361   7.724  1.00  5.33           O
ATOM   1050  CB  THR A  66      -2.816   5.311   7.643  1.00  2.85           C
ATOM   1051  OG1 THR A  66      -3.592   6.470   7.375  1.00  2.15           O
ATOM   1052  CG2 THR A  66      -1.324   5.631   7.447  1.00  3.40           C
ATOM      0  H   THR A  66      -4.678   3.547   8.177  1.00  4.48           H   new
ATOM      0  HA  THR A  66      -3.487   4.631   5.798  1.00  3.80           H   new
ATOM      0  HB  THR A  66      -2.889   4.978   8.678  1.00  2.85           H   new
ATOM      0  HG1 THR A  66      -3.264   7.216   7.919  1.00  2.15           H   new
ATOM      0 HG21 THR A  66      -1.037   6.447   8.110  1.00  3.40           H   new
ATOM      0 HG22 THR A  66      -0.729   4.748   7.679  1.00  3.40           H   new
ATOM      0 HG23 THR A  66      -1.148   5.926   6.412  1.00  3.40           H   new
ATOM   1060  N   LEU A  67      -1.819   2.945   5.526  1.00  4.17           N
ATOM   1061  CA  LEU A  67      -0.723   2.072   5.241  1.00  3.85           C
ATOM   1062  C   LEU A  67       0.610   2.678   5.517  1.00  3.80           C
ATOM   1063  O   LEU A  67       0.709   3.903   5.450  1.00  5.54           O
ATOM   1064  CB  LEU A  67      -0.777   1.754   3.737  1.00  7.18           C
ATOM   1065  CG  LEU A  67      -1.968   0.835   3.415  1.00  9.67           C
ATOM   1066  CD1 LEU A  67      -2.666   1.090   2.069  1.00 11.66           C
ATOM   1067  CD2 LEU A  67      -1.609  -0.660   3.431  1.00  8.12           C
ATOM      0  H   LEU A  67      -2.134   3.474   4.712  1.00  4.17           H   new
ATOM      0  HA  LEU A  67      -0.823   1.196   5.882  1.00  3.85           H   new
ATOM      0  HB2 LEU A  67      -0.862   2.680   3.168  1.00  7.18           H   new
ATOM      0  HB3 LEU A  67       0.152   1.274   3.429  1.00  7.18           H   new
ATOM      0  HG  LEU A  67      -2.651   1.093   4.224  1.00  9.67           H   new
ATOM      0 HD11 LEU A  67      -3.489   0.386   1.947  1.00 11.66           H   new
ATOM      0 HD12 LEU A  67      -3.053   2.109   2.047  1.00 11.66           H   new
ATOM      0 HD13 LEU A  67      -1.951   0.956   1.257  1.00 11.66           H   new
ATOM      0 HD21 LEU A  67      -2.495  -1.250   3.196  1.00  8.12           H   new
ATOM      0 HD22 LEU A  67      -0.835  -0.856   2.689  1.00  8.12           H   new
ATOM      0 HD23 LEU A  67      -1.242  -0.935   4.420  1.00  8.12           H   new
ATOM   1079  N   HIS A  68       1.710   1.948   5.768  1.00  2.94           N
ATOM   1080  CA  HIS A  68       3.063   2.410   5.816  1.00  4.17           C
ATOM   1081  C   HIS A  68       3.914   1.690   4.828  1.00  5.32           C
ATOM   1082  O   HIS A  68       4.012   0.465   4.876  1.00  7.70           O
ATOM   1083  CB  HIS A  68       3.732   2.108   7.167  1.00  5.57           C
ATOM   1084  CG  HIS A  68       4.989   2.846   7.518  1.00  9.95           C
ATOM   1085  ND1 HIS A  68       5.123   4.219   7.490  1.00 13.74           N
ATOM   1086  CD2 HIS A  68       6.194   2.327   7.878  1.00 12.79           C
ATOM   1087  CE1 HIS A  68       6.410   4.436   7.875  1.00 14.75           C
ATOM   1088  NE2 HIS A  68       7.102   3.338   8.115  1.00 16.30           N
ATOM      0  H   HIS A  68       1.646   0.947   5.953  1.00  2.94           H   new
ATOM      0  HA  HIS A  68       2.998   3.481   5.622  1.00  4.17           H   new
ATOM      0  HB2 HIS A  68       3.001   2.304   7.951  1.00  5.57           H   new
ATOM      0  HB3 HIS A  68       3.953   1.041   7.197  1.00  5.57           H   new
ATOM      0  HD2 HIS A  68       6.409   1.272   7.966  1.00 12.79           H   new
ATOM      0  HE1 HIS A  68       6.831   5.426   7.976  1.00 14.75           H   new
ATOM      0  HE2 HIS A  68       8.076   3.256   8.406  1.00 16.30           H   new
ATOM   1096  N   LEU A  69       4.486   2.505   3.924  1.00  5.29           N
ATOM   1097  CA  LEU A  69       5.444   2.096   2.943  1.00  3.97           C
ATOM   1098  C   LEU A  69       6.868   2.040   3.380  1.00  5.07           C
ATOM   1099  O   LEU A  69       7.469   3.022   3.811  1.00  4.34           O
ATOM   1100  CB  LEU A  69       5.430   3.095   1.774  1.00  6.08           C
ATOM   1101  CG  LEU A  69       6.508   3.061   0.678  1.00  7.37           C
ATOM   1102  CD1 LEU A  69       6.459   1.715  -0.065  1.00  9.96           C
ATOM   1103  CD2 LEU A  69       6.188   4.228  -0.271  1.00  6.87           C
ATOM      0  H   LEU A  69       4.269   3.500   3.875  1.00  5.29           H   new
ATOM      0  HA  LEU A  69       5.131   1.081   2.696  1.00  3.97           H   new
ATOM      0  HB2 LEU A  69       4.467   2.986   1.275  1.00  6.08           H   new
ATOM      0  HB3 LEU A  69       5.452   4.094   2.210  1.00  6.08           H   new
ATOM      0  HG  LEU A  69       7.512   3.161   1.091  1.00  7.37           H   new
ATOM      0 HD11 LEU A  69       7.226   1.699  -0.840  1.00  9.96           H   new
ATOM      0 HD12 LEU A  69       6.639   0.903   0.640  1.00  9.96           H   new
ATOM      0 HD13 LEU A  69       5.478   1.588  -0.523  1.00  9.96           H   new
ATOM      0 HD21 LEU A  69       6.924   4.256  -1.075  1.00  6.87           H   new
ATOM      0 HD22 LEU A  69       5.193   4.090  -0.694  1.00  6.87           H   new
ATOM      0 HD23 LEU A  69       6.220   5.166   0.283  1.00  6.87           H   new
ATOM   1115  N   VAL A  70       7.508   0.868   3.219  1.00  4.29           N
ATOM   1116  CA  VAL A  70       8.879   0.704   3.592  1.00  6.26           C
ATOM   1117  C   VAL A  70       9.533   0.270   2.325  1.00  9.22           C
ATOM   1118  O   VAL A  70       9.081  -0.626   1.613  1.00  9.36           O
ATOM   1119  CB  VAL A  70       9.061  -0.302   4.690  1.00  8.69           C
ATOM   1120  CG1 VAL A  70      10.523  -0.320   5.167  1.00  9.76           C
ATOM   1121  CG2 VAL A  70       8.218   0.116   5.907  1.00  8.54           C
ATOM      0  H   VAL A  70       7.074   0.031   2.829  1.00  4.29           H   new
ATOM      0  HA  VAL A  70       9.309   1.618   4.001  1.00  6.26           H   new
ATOM      0  HB  VAL A  70       8.766  -1.277   4.303  1.00  8.69           H   new
ATOM      0 HG11 VAL A  70      10.637  -1.055   5.964  1.00  9.76           H   new
ATOM      0 HG12 VAL A  70      11.174  -0.584   4.334  1.00  9.76           H   new
ATOM      0 HG13 VAL A  70      10.795   0.666   5.542  1.00  9.76           H   new
ATOM      0 HG21 VAL A  70       8.348  -0.613   6.707  1.00  8.54           H   new
ATOM      0 HG22 VAL A  70       8.542   1.097   6.254  1.00  8.54           H   new
ATOM      0 HG23 VAL A  70       7.166   0.160   5.623  1.00  8.54           H   new
ATOM   1131  N   LEU A  71      10.616   0.959   1.927  1.00 12.71           N
ATOM   1132  CA  LEU A  71      11.420   0.625   0.792  1.00 16.06           C
ATOM   1133  C   LEU A  71      12.153  -0.668   0.892  1.00 18.09           C
ATOM   1134  O   LEU A  71      12.651  -1.077   1.940  1.00 19.26           O
ATOM   1135  CB  LEU A  71      12.263   1.816   0.307  1.00 17.10           C
ATOM   1136  CG  LEU A  71      11.568   3.153   0.001  1.00 19.37           C
ATOM   1137  CD1 LEU A  71      10.300   3.097  -0.868  1.00 19.57           C
ATOM   1138  CD2 LEU A  71      11.230   4.008   1.234  1.00 17.51           C
ATOM      0  H   LEU A  71      10.947   1.788   2.419  1.00 12.71           H   new
ATOM      0  HA  LEU A  71      10.714   0.418  -0.013  1.00 16.06           H   new
ATOM      0  HB2 LEU A  71      13.025   2.008   1.063  1.00 17.10           H   new
ATOM      0  HB3 LEU A  71      12.784   1.502  -0.598  1.00 17.10           H   new
ATOM      0  HG  LEU A  71      12.361   3.622  -0.582  1.00 19.37           H   new
ATOM      0 HD11 LEU A  71       9.910   4.105  -1.008  1.00 19.57           H   new
ATOM      0 HD12 LEU A  71      10.543   2.664  -1.838  1.00 19.57           H   new
ATOM      0 HD13 LEU A  71       9.548   2.482  -0.374  1.00 19.57           H   new
ATOM      0 HD21 LEU A  71      10.743   4.930   0.915  1.00 17.51           H   new
ATOM      0 HD22 LEU A  71      10.560   3.452   1.890  1.00 17.51           H   new
ATOM      0 HD23 LEU A  71      12.147   4.249   1.772  1.00 17.51           H   new