USER  MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=6
USER  MOD reduce.3.24.130724 removed 262 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD Single : A   1 GLU N   :NH3+    142:sc=   -0.29   (180deg=-2.02!)
USER  MOD Single : A   4 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A   6 MET CE  :methyl  139:sc=   -1.01   (180deg=-6.47!)
USER  MOD Single : A   8 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  10 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  11 ASN     :      amide:sc=   -0.24  X(o=-0.24,f=0.063)
USER  MOD Single : A  12 SER OG  :   rot   80:sc=    1.09
USER  MOD Single : A  13 ASN     :      amide:sc=   -2.42  K(o=-2.4,f=-8.5!)
USER  MOD Single : A  17 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  22 SER OG  :   rot -170:sc=  -0.323
USER  MOD Single : A  23 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  26 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  32 SER OG  :   rot  -61:sc=    1.17
USER  MOD -----------------------------------------------------------------
ATOM      1  N   GLU A   1      -9.979   4.320  -2.417  1.00  0.00           N
ATOM      2  CA  GLU A   1      -9.323   5.565  -1.923  1.00  0.00           C
ATOM      3  C   GLU A   1      -8.072   5.220  -1.113  1.00  0.00           C
ATOM      4  O   GLU A   1      -7.609   4.097  -1.111  1.00  0.00           O
ATOM      5  CB  GLU A   1     -10.366   6.235  -1.030  1.00  0.00           C
ATOM      6  CG  GLU A   1     -10.892   5.220  -0.012  1.00  0.00           C
ATOM      7  CD  GLU A   1     -10.819   5.820   1.393  1.00  0.00           C
ATOM      8  OE1 GLU A   1      -9.752   6.282   1.763  1.00  0.00           O
ATOM      9  OE2 GLU A   1     -11.830   5.807   2.076  1.00  0.00           O
ATOM      0  H1  GLU A   1     -11.012   4.430  -2.370  1.00  0.00           H   new
ATOM      0  H2  GLU A   1      -9.694   4.144  -3.402  1.00  0.00           H   new
ATOM      0  H3  GLU A   1      -9.689   3.516  -1.824  1.00  0.00           H   new
ATOM      0  HA  GLU A   1      -9.005   6.213  -2.739  1.00  0.00           H   new
ATOM      0  HB2 GLU A   1      -9.925   7.088  -0.515  1.00  0.00           H   new
ATOM      0  HB3 GLU A   1     -11.187   6.618  -1.636  1.00  0.00           H   new
ATOM      0  HG2 GLU A   1     -11.921   4.950  -0.250  1.00  0.00           H   new
ATOM      0  HG3 GLU A   1     -10.303   4.304  -0.059  1.00  0.00           H   new
ATOM     18  N   CYS A   2      -7.524   6.182  -0.424  1.00  0.00           N
ATOM     19  CA  CYS A   2      -6.303   5.914   0.391  1.00  0.00           C
ATOM     20  C   CYS A   2      -6.548   4.727   1.326  1.00  0.00           C
ATOM     21  O   CYS A   2      -7.423   4.758   2.168  1.00  0.00           O
ATOM     22  CB  CYS A   2      -6.079   7.193   1.196  1.00  0.00           C
ATOM     23  SG  CYS A   2      -4.319   7.369   1.569  1.00  0.00           S
ATOM      0  H   CYS A   2      -7.867   7.142  -0.389  1.00  0.00           H   new
ATOM      0  HA  CYS A   2      -5.439   5.663  -0.224  1.00  0.00           H   new
ATOM      0  HB2 CYS A   2      -6.430   8.057   0.632  1.00  0.00           H   new
ATOM      0  HB3 CYS A   2      -6.656   7.160   2.120  1.00  0.00           H   new
ATOM     28  N   GLY A   3      -5.785   3.676   1.183  1.00  0.00           N
ATOM     29  CA  GLY A   3      -5.985   2.488   2.060  1.00  0.00           C
ATOM     30  C   GLY A   3      -4.822   2.366   3.048  1.00  0.00           C
ATOM     31  O   GLY A   3      -3.691   2.683   2.737  1.00  0.00           O
ATOM      0  H   GLY A   3      -5.034   3.590   0.498  1.00  0.00           H   new
ATOM      0  HA2 GLY A   3      -6.926   2.580   2.603  1.00  0.00           H   new
ATOM      0  HA3 GLY A   3      -6.054   1.585   1.453  1.00  0.00           H   new
ATOM     35  N   LYS A   4      -5.096   1.902   4.237  1.00  0.00           N
ATOM     36  CA  LYS A   4      -4.015   1.747   5.253  1.00  0.00           C
ATOM     37  C   LYS A   4      -3.266   0.429   5.028  1.00  0.00           C
ATOM     38  O   LYS A   4      -3.789  -0.501   4.448  1.00  0.00           O
ATOM     39  CB  LYS A   4      -4.744   1.726   6.596  1.00  0.00           C
ATOM     40  CG  LYS A   4      -4.058   2.685   7.568  1.00  0.00           C
ATOM     41  CD  LYS A   4      -3.543   1.902   8.777  1.00  0.00           C
ATOM     42  CE  LYS A   4      -4.320   2.320  10.026  1.00  0.00           C
ATOM     43  NZ  LYS A   4      -3.281   2.800  10.982  1.00  0.00           N
ATOM      0  H   LYS A   4      -6.026   1.622   4.550  1.00  0.00           H   new
ATOM      0  HA  LYS A   4      -3.275   2.546   5.200  1.00  0.00           H   new
ATOM      0  HB2 LYS A   4      -5.786   2.015   6.460  1.00  0.00           H   new
ATOM      0  HB3 LYS A   4      -4.744   0.716   7.005  1.00  0.00           H   new
ATOM      0  HG2 LYS A   4      -3.232   3.194   7.072  1.00  0.00           H   new
ATOM      0  HG3 LYS A   4      -4.758   3.455   7.891  1.00  0.00           H   new
ATOM      0  HD2 LYS A   4      -3.658   0.832   8.606  1.00  0.00           H   new
ATOM      0  HD3 LYS A   4      -2.479   2.090   8.918  1.00  0.00           H   new
ATOM      0  HE2 LYS A   4      -5.041   3.106   9.798  1.00  0.00           H   new
ATOM      0  HE3 LYS A   4      -4.882   1.483  10.440  1.00  0.00           H   new
ATOM      0  HZ1 LYS A   4      -3.737   3.105  11.866  1.00  0.00           H   new
ATOM      0  HZ2 LYS A   4      -2.613   2.029  11.185  1.00  0.00           H   new
ATOM      0  HZ3 LYS A   4      -2.767   3.601  10.563  1.00  0.00           H   new
ATOM     57  N   PHE A   5      -2.043   0.342   5.479  1.00  0.00           N
ATOM     58  CA  PHE A   5      -1.268  -0.915   5.286  1.00  0.00           C
ATOM     59  C   PHE A   5      -2.138  -2.130   5.598  1.00  0.00           C
ATOM     60  O   PHE A   5      -3.050  -2.069   6.397  1.00  0.00           O
ATOM     61  CB  PHE A   5      -0.109  -0.835   6.282  1.00  0.00           C
ATOM     62  CG  PHE A   5       0.835  -2.001   6.066  1.00  0.00           C
ATOM     63  CD1 PHE A   5       1.289  -2.311   4.778  1.00  0.00           C
ATOM     64  CD2 PHE A   5       1.272  -2.763   7.160  1.00  0.00           C
ATOM     65  CE1 PHE A   5       2.172  -3.380   4.586  1.00  0.00           C
ATOM     66  CE2 PHE A   5       2.159  -3.828   6.964  1.00  0.00           C
ATOM     67  CZ  PHE A   5       2.609  -4.135   5.676  1.00  0.00           C
ATOM      0  H   PHE A   5      -1.549   1.086   5.972  1.00  0.00           H   new
ATOM      0  HA  PHE A   5      -0.921  -1.020   4.258  1.00  0.00           H   new
ATOM      0  HB2 PHE A   5       0.426   0.106   6.156  1.00  0.00           H   new
ATOM      0  HB3 PHE A   5      -0.492  -0.850   7.302  1.00  0.00           H   new
ATOM      0  HD1 PHE A   5       0.958  -1.725   3.933  1.00  0.00           H   new
ATOM      0  HD2 PHE A   5       0.924  -2.528   8.155  1.00  0.00           H   new
ATOM      0  HE1 PHE A   5       2.516  -3.622   3.591  1.00  0.00           H   new
ATOM      0  HE2 PHE A   5       2.496  -4.413   7.807  1.00  0.00           H   new
ATOM      0  HZ  PHE A   5       3.294  -4.956   5.525  1.00  0.00           H   new
ATOM     77  N   MET A   6      -1.847  -3.238   4.977  1.00  0.00           N
ATOM     78  CA  MET A   6      -2.630  -4.481   5.228  1.00  0.00           C
ATOM     79  C   MET A   6      -4.011  -4.401   4.578  1.00  0.00           C
ATOM     80  O   MET A   6      -4.790  -5.331   4.651  1.00  0.00           O
ATOM     81  CB  MET A   6      -2.760  -4.590   6.749  1.00  0.00           C
ATOM     82  CG  MET A   6      -2.252  -5.957   7.208  1.00  0.00           C
ATOM     83  SD  MET A   6      -1.652  -5.836   8.912  1.00  0.00           S
ATOM     84  CE  MET A   6       0.114  -5.962   8.540  1.00  0.00           C
ATOM      0  H   MET A   6      -1.092  -3.337   4.299  1.00  0.00           H   new
ATOM      0  HA  MET A   6      -2.135  -5.353   4.800  1.00  0.00           H   new
ATOM      0  HB2 MET A   6      -2.188  -3.797   7.231  1.00  0.00           H   new
ATOM      0  HB3 MET A   6      -3.800  -4.458   7.046  1.00  0.00           H   new
ATOM      0  HG2 MET A   6      -3.052  -6.694   7.144  1.00  0.00           H   new
ATOM      0  HG3 MET A   6      -1.451  -6.298   6.552  1.00  0.00           H   new
ATOM      0  HE1 MET A   6       0.668  -5.258   9.161  1.00  0.00           H   new
ATOM      0  HE2 MET A   6       0.458  -6.976   8.746  1.00  0.00           H   new
ATOM      0  HE3 MET A   6       0.282  -5.729   7.489  1.00  0.00           H   new
ATOM     94  N   TRP A   7      -4.326  -3.308   3.946  1.00  0.00           N
ATOM     95  CA  TRP A   7      -5.664  -3.200   3.302  1.00  0.00           C
ATOM     96  C   TRP A   7      -5.734  -4.082   2.055  1.00  0.00           C
ATOM     97  O   TRP A   7      -4.928  -3.969   1.151  1.00  0.00           O
ATOM     98  CB  TRP A   7      -5.826  -1.731   2.925  1.00  0.00           C
ATOM     99  CG  TRP A   7      -6.521  -1.015   4.032  1.00  0.00           C
ATOM    100  CD1 TRP A   7      -6.281  -1.193   5.351  1.00  0.00           C
ATOM    101  CD2 TRP A   7      -7.567  -0.011   3.940  1.00  0.00           C
ATOM    102  NE1 TRP A   7      -7.120  -0.361   6.072  1.00  0.00           N
ATOM    103  CE2 TRP A   7      -7.928   0.385   5.245  1.00  0.00           C
ATOM    104  CE3 TRP A   7      -8.228   0.585   2.858  1.00  0.00           C
ATOM    105  CZ2 TRP A   7      -8.911   1.338   5.475  1.00  0.00           C
ATOM    106  CZ3 TRP A   7      -9.224   1.551   3.081  1.00  0.00           C
ATOM    107  CH2 TRP A   7      -9.565   1.927   4.389  1.00  0.00           C
ATOM      0  H   TRP A   7      -3.723  -2.491   3.847  1.00  0.00           H   new
ATOM      0  HA  TRP A   7      -6.457  -3.533   3.971  1.00  0.00           H   new
ATOM      0  HB2 TRP A   7      -4.851  -1.281   2.740  1.00  0.00           H   new
ATOM      0  HB3 TRP A   7      -6.398  -1.641   2.002  1.00  0.00           H   new
ATOM      0  HD1 TRP A   7      -5.555  -1.872   5.772  1.00  0.00           H   new
ATOM      0  HE1 TRP A   7      -7.137  -0.308   7.090  1.00  0.00           H   new
ATOM      0  HE3 TRP A   7      -7.971   0.301   1.848  1.00  0.00           H   new
ATOM      0  HZ2 TRP A   7      -9.168   1.622   6.485  1.00  0.00           H   new
ATOM      0  HZ3 TRP A   7      -9.729   2.006   2.242  1.00  0.00           H   new
ATOM      0  HH2 TRP A   7     -10.331   2.670   4.556  1.00  0.00           H   new
ATOM    118  N   LYS A   8      -6.701  -4.953   2.003  1.00  0.00           N
ATOM    119  CA  LYS A   8      -6.852  -5.847   0.822  1.00  0.00           C
ATOM    120  C   LYS A   8      -7.064  -5.006  -0.437  1.00  0.00           C
ATOM    121  O   LYS A   8      -7.949  -4.177  -0.501  1.00  0.00           O
ATOM    122  CB  LYS A   8      -8.090  -6.691   1.124  1.00  0.00           C
ATOM    123  CG  LYS A   8      -8.179  -7.844   0.123  1.00  0.00           C
ATOM    124  CD  LYS A   8      -9.254  -7.531  -0.918  1.00  0.00           C
ATOM    125  CE  LYS A   8      -8.604  -7.399  -2.296  1.00  0.00           C
ATOM    126  NZ  LYS A   8      -8.701  -8.758  -2.898  1.00  0.00           N
ATOM      0  H   LYS A   8      -7.400  -5.085   2.734  1.00  0.00           H   new
ATOM      0  HA  LYS A   8      -5.973  -6.468   0.648  1.00  0.00           H   new
ATOM      0  HB2 LYS A   8      -8.038  -7.081   2.140  1.00  0.00           H   new
ATOM      0  HB3 LYS A   8      -8.987  -6.074   1.065  1.00  0.00           H   new
ATOM      0  HG2 LYS A   8      -7.216  -7.991  -0.366  1.00  0.00           H   new
ATOM      0  HG3 LYS A   8      -8.418  -8.772   0.641  1.00  0.00           H   new
ATOM      0  HD2 LYS A   8     -10.004  -8.322  -0.932  1.00  0.00           H   new
ATOM      0  HD3 LYS A   8      -9.770  -6.607  -0.657  1.00  0.00           H   new
ATOM      0  HE2 LYS A   8      -9.120  -6.659  -2.907  1.00  0.00           H   new
ATOM      0  HE3 LYS A   8      -7.566  -7.077  -2.214  1.00  0.00           H   new
ATOM      0  HZ1 LYS A   8      -8.275  -8.749  -3.847  1.00  0.00           H   new
ATOM      0  HZ2 LYS A   8      -8.195  -9.440  -2.298  1.00  0.00           H   new
ATOM      0  HZ3 LYS A   8      -9.701  -9.035  -2.970  1.00  0.00           H   new
ATOM    140  N   CYS A   9      -6.247  -5.202  -1.431  1.00  0.00           N
ATOM    141  CA  CYS A   9      -6.382  -4.406  -2.682  1.00  0.00           C
ATOM    142  C   CYS A   9      -6.301  -5.319  -3.908  1.00  0.00           C
ATOM    143  O   CYS A   9      -6.344  -6.527  -3.800  1.00  0.00           O
ATOM    144  CB  CYS A   9      -5.201  -3.429  -2.661  1.00  0.00           C
ATOM    145  SG  CYS A   9      -3.728  -4.236  -1.975  1.00  0.00           S
ATOM      0  H   CYS A   9      -5.487  -5.883  -1.432  1.00  0.00           H   new
ATOM      0  HA  CYS A   9      -7.340  -3.889  -2.738  1.00  0.00           H   new
ATOM      0  HB2 CYS A   9      -4.994  -3.077  -3.671  1.00  0.00           H   new
ATOM      0  HB3 CYS A   9      -5.455  -2.553  -2.064  1.00  0.00           H   new
ATOM    150  N   LYS A  10      -6.187  -4.746  -5.076  1.00  0.00           N
ATOM    151  CA  LYS A  10      -6.107  -5.579  -6.311  1.00  0.00           C
ATOM    152  C   LYS A  10      -4.734  -5.433  -6.970  1.00  0.00           C
ATOM    153  O   LYS A  10      -4.200  -6.368  -7.532  1.00  0.00           O
ATOM    154  CB  LYS A  10      -7.202  -5.032  -7.229  1.00  0.00           C
ATOM    155  CG  LYS A  10      -6.764  -3.683  -7.802  1.00  0.00           C
ATOM    156  CD  LYS A  10      -7.926  -3.050  -8.572  1.00  0.00           C
ATOM    157  CE  LYS A  10      -8.184  -3.846  -9.855  1.00  0.00           C
ATOM    158  NZ  LYS A  10      -8.509  -2.819 -10.885  1.00  0.00           N
ATOM      0  H   LYS A  10      -6.146  -3.738  -5.229  1.00  0.00           H   new
ATOM      0  HA  LYS A  10      -6.241  -6.640  -6.098  1.00  0.00           H   new
ATOM      0  HB2 LYS A  10      -7.398  -5.736  -8.038  1.00  0.00           H   new
ATOM      0  HB3 LYS A  10      -8.133  -4.918  -6.674  1.00  0.00           H   new
ATOM      0  HG2 LYS A  10      -6.445  -3.021  -6.997  1.00  0.00           H   new
ATOM      0  HG3 LYS A  10      -5.908  -3.818  -8.463  1.00  0.00           H   new
ATOM      0  HD2 LYS A  10      -8.823  -3.038  -7.953  1.00  0.00           H   new
ATOM      0  HD3 LYS A  10      -7.693  -2.013  -8.815  1.00  0.00           H   new
ATOM      0  HE2 LYS A  10      -7.309  -4.429 -10.141  1.00  0.00           H   new
ATOM      0  HE3 LYS A  10      -9.007  -4.549  -9.725  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  10      -8.699  -3.287 -11.794  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  10      -9.350  -2.284 -10.589  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  10      -7.705  -2.168 -10.992  1.00  0.00           H   new
ATOM    172  N   ASN A  11      -4.158  -4.265  -6.908  1.00  0.00           N
ATOM    173  CA  ASN A  11      -2.820  -4.061  -7.536  1.00  0.00           C
ATOM    174  C   ASN A  11      -2.215  -2.730  -7.086  1.00  0.00           C
ATOM    175  O   ASN A  11      -1.033  -2.630  -6.824  1.00  0.00           O
ATOM    176  CB  ASN A  11      -3.091  -4.043  -9.038  1.00  0.00           C
ATOM    177  CG  ASN A  11      -2.255  -5.129  -9.717  1.00  0.00           C
ATOM    178  OD1 ASN A  11      -2.082  -6.205  -9.178  1.00  0.00           O
ATOM    179  ND2 ASN A  11      -1.725  -4.893 -10.886  1.00  0.00           N
ATOM      0  H   ASN A  11      -4.554  -3.444  -6.451  1.00  0.00           H   new
ATOM      0  HA  ASN A  11      -2.111  -4.840  -7.255  1.00  0.00           H   new
ATOM      0  HB2 ASN A  11      -4.151  -4.211  -9.230  1.00  0.00           H   new
ATOM      0  HB3 ASN A  11      -2.843  -3.066  -9.452  1.00  0.00           H   new
ATOM      0 HD21 ASN A  11      -1.166  -5.611 -11.347  1.00  0.00           H   new
ATOM      0 HD22 ASN A  11      -1.870  -3.991 -11.339  1.00  0.00           H   new
ATOM    186  N   SER A  12      -3.018  -1.709  -6.994  1.00  0.00           N
ATOM    187  CA  SER A  12      -2.496  -0.386  -6.557  1.00  0.00           C
ATOM    188  C   SER A  12      -3.563   0.697  -6.742  1.00  0.00           C
ATOM    189  O   SER A  12      -3.259   1.841  -7.014  1.00  0.00           O
ATOM    190  CB  SER A  12      -1.295  -0.114  -7.459  1.00  0.00           C
ATOM    191  OG  SER A  12      -0.097  -0.296  -6.715  1.00  0.00           O
ATOM      0  H   SER A  12      -4.016  -1.734  -7.203  1.00  0.00           H   new
ATOM      0  HA  SER A  12      -2.222  -0.382  -5.502  1.00  0.00           H   new
ATOM      0  HB2 SER A  12      -1.310  -0.787  -8.316  1.00  0.00           H   new
ATOM      0  HB3 SER A  12      -1.343   0.902  -7.851  1.00  0.00           H   new
ATOM      0  HG  SER A  12       0.108  -1.252  -6.654  1.00  0.00           H   new
ATOM    197  N   ASN A  13      -4.811   0.347  -6.594  1.00  0.00           N
ATOM    198  CA  ASN A  13      -5.893   1.359  -6.760  1.00  0.00           C
ATOM    199  C   ASN A  13      -6.503   1.706  -5.399  1.00  0.00           C
ATOM    200  O   ASN A  13      -7.385   2.535  -5.296  1.00  0.00           O
ATOM    201  CB  ASN A  13      -6.931   0.685  -7.658  1.00  0.00           C
ATOM    202  CG  ASN A  13      -7.680  -0.385  -6.863  1.00  0.00           C
ATOM    203  OD1 ASN A  13      -7.093  -1.086  -6.062  1.00  0.00           O
ATOM    204  ND2 ASN A  13      -8.962  -0.540  -7.050  1.00  0.00           N
ATOM      0  H   ASN A  13      -5.128  -0.595  -6.366  1.00  0.00           H   new
ATOM      0  HA  ASN A  13      -5.526   2.291  -7.191  1.00  0.00           H   new
ATOM      0  HB2 ASN A  13      -7.633   1.427  -8.040  1.00  0.00           H   new
ATOM      0  HB3 ASN A  13      -6.442   0.235  -8.522  1.00  0.00           H   new
ATOM      0 HD21 ASN A  13      -9.472  -1.250  -6.524  1.00  0.00           H   new
ATOM      0 HD22 ASN A  13      -9.454   0.048  -7.722  1.00  0.00           H   new
ATOM    211  N   ASP A  14      -6.040   1.076  -4.355  1.00  0.00           N
ATOM    212  CA  ASP A  14      -6.592   1.364  -3.001  1.00  0.00           C
ATOM    213  C   ASP A  14      -5.453   1.627  -2.008  1.00  0.00           C
ATOM    214  O   ASP A  14      -5.681   1.910  -0.850  1.00  0.00           O
ATOM    215  CB  ASP A  14      -7.360   0.098  -2.615  1.00  0.00           C
ATOM    216  CG  ASP A  14      -8.801   0.199  -3.121  1.00  0.00           C
ATOM    217  OD1 ASP A  14      -9.251   1.309  -3.353  1.00  0.00           O
ATOM    218  OD2 ASP A  14      -9.430  -0.837  -3.269  1.00  0.00           O
ATOM      0  H   ASP A  14      -5.302   0.373  -4.381  1.00  0.00           H   new
ATOM      0  HA  ASP A  14      -7.229   2.249  -2.992  1.00  0.00           H   new
ATOM      0  HB2 ASP A  14      -6.874  -0.779  -3.043  1.00  0.00           H   new
ATOM      0  HB3 ASP A  14      -7.352  -0.029  -1.532  1.00  0.00           H   new
ATOM    223  N   CYS A  15      -4.229   1.525  -2.453  1.00  0.00           N
ATOM    224  CA  CYS A  15      -3.077   1.758  -1.537  1.00  0.00           C
ATOM    225  C   CYS A  15      -2.813   3.255  -1.356  1.00  0.00           C
ATOM    226  O   CYS A  15      -2.786   4.015  -2.303  1.00  0.00           O
ATOM    227  CB  CYS A  15      -1.898   1.083  -2.231  1.00  0.00           C
ATOM    228  SG  CYS A  15      -2.307  -0.655  -2.512  1.00  0.00           S
ATOM      0  H   CYS A  15      -3.978   1.290  -3.413  1.00  0.00           H   new
ATOM      0  HA  CYS A  15      -3.258   1.360  -0.538  1.00  0.00           H   new
ATOM      0  HB2 CYS A  15      -1.683   1.578  -3.178  1.00  0.00           H   new
ATOM      0  HB3 CYS A  15      -1.001   1.165  -1.617  1.00  0.00           H   new
ATOM    233  N   CYS A  16      -2.611   3.677  -0.138  1.00  0.00           N
ATOM    234  CA  CYS A  16      -2.339   5.121   0.129  1.00  0.00           C
ATOM    235  C   CYS A  16      -1.028   5.542  -0.540  1.00  0.00           C
ATOM    236  O   CYS A  16      -0.279   4.720  -1.026  1.00  0.00           O
ATOM    237  CB  CYS A  16      -2.204   5.218   1.648  1.00  0.00           C
ATOM    238  SG  CYS A  16      -3.815   5.591   2.379  1.00  0.00           S
ATOM      0  H   CYS A  16      -2.622   3.081   0.690  1.00  0.00           H   new
ATOM      0  HA  CYS A  16      -3.125   5.768  -0.261  1.00  0.00           H   new
ATOM      0  HB2 CYS A  16      -1.820   4.280   2.049  1.00  0.00           H   new
ATOM      0  HB3 CYS A  16      -1.486   5.995   1.910  1.00  0.00           H   new
ATOM    243  N   LYS A  17      -0.736   6.816  -0.563  1.00  0.00           N
ATOM    244  CA  LYS A  17       0.531   7.266  -1.192  1.00  0.00           C
ATOM    245  C   LYS A  17       1.705   6.502  -0.578  1.00  0.00           C
ATOM    246  O   LYS A  17       1.627   6.023   0.536  1.00  0.00           O
ATOM    247  CB  LYS A  17       0.638   8.759  -0.886  1.00  0.00           C
ATOM    248  CG  LYS A  17       1.679   9.389  -1.814  1.00  0.00           C
ATOM    249  CD  LYS A  17       2.180  10.705  -1.214  1.00  0.00           C
ATOM    250  CE  LYS A  17       2.507  11.687  -2.341  1.00  0.00           C
ATOM    251  NZ  LYS A  17       3.392  12.708  -1.716  1.00  0.00           N
ATOM      0  H   LYS A  17      -1.319   7.557  -0.175  1.00  0.00           H   new
ATOM      0  HA  LYS A  17       0.548   7.083  -2.266  1.00  0.00           H   new
ATOM      0  HB2 LYS A  17      -0.330   9.241  -1.025  1.00  0.00           H   new
ATOM      0  HB3 LYS A  17       0.923   8.910   0.155  1.00  0.00           H   new
ATOM      0  HG2 LYS A  17       2.514   8.703  -1.958  1.00  0.00           H   new
ATOM      0  HG3 LYS A  17       1.242   9.570  -2.796  1.00  0.00           H   new
ATOM      0  HD2 LYS A  17       1.422  11.129  -0.556  1.00  0.00           H   new
ATOM      0  HD3 LYS A  17       3.066  10.526  -0.605  1.00  0.00           H   new
ATOM      0  HE2 LYS A  17       3.007  11.185  -3.169  1.00  0.00           H   new
ATOM      0  HE3 LYS A  17       1.602  12.142  -2.743  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  17       3.660  13.418  -2.427  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  17       2.887  13.174  -0.935  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  17       4.248  12.247  -1.348  1.00  0.00           H   new
ATOM    265  N   ASP A  18       2.783   6.365  -1.297  1.00  0.00           N
ATOM    266  CA  ASP A  18       3.948   5.613  -0.751  1.00  0.00           C
ATOM    267  C   ASP A  18       3.507   4.198  -0.369  1.00  0.00           C
ATOM    268  O   ASP A  18       4.190   3.492   0.346  1.00  0.00           O
ATOM    269  CB  ASP A  18       4.396   6.394   0.485  1.00  0.00           C
ATOM    270  CG  ASP A  18       5.238   7.595   0.052  1.00  0.00           C
ATOM    271  OD1 ASP A  18       6.443   7.441  -0.059  1.00  0.00           O
ATOM    272  OD2 ASP A  18       4.663   8.650  -0.162  1.00  0.00           O
ATOM      0  H   ASP A  18       2.909   6.740  -2.237  1.00  0.00           H   new
ATOM      0  HA  ASP A  18       4.759   5.518  -1.473  1.00  0.00           H   new
ATOM      0  HB2 ASP A  18       3.527   6.731   1.050  1.00  0.00           H   new
ATOM      0  HB3 ASP A  18       4.976   5.749   1.145  1.00  0.00           H   new
ATOM    277  N   LEU A  19       2.368   3.780  -0.852  1.00  0.00           N
ATOM    278  CA  LEU A  19       1.870   2.414  -0.540  1.00  0.00           C
ATOM    279  C   LEU A  19       1.455   1.725  -1.838  1.00  0.00           C
ATOM    280  O   LEU A  19       0.857   2.329  -2.707  1.00  0.00           O
ATOM    281  CB  LEU A  19       0.659   2.626   0.376  1.00  0.00           C
ATOM    282  CG  LEU A  19       0.450   1.391   1.260  1.00  0.00           C
ATOM    283  CD1 LEU A  19       1.621   1.249   2.233  1.00  0.00           C
ATOM    284  CD2 LEU A  19      -0.841   1.554   2.065  1.00  0.00           C
ATOM      0  H   LEU A  19       1.758   4.333  -1.454  1.00  0.00           H   new
ATOM      0  HA  LEU A  19       2.622   1.787  -0.061  1.00  0.00           H   new
ATOM      0  HB2 LEU A  19       0.813   3.507   0.998  1.00  0.00           H   new
ATOM      0  HB3 LEU A  19      -0.233   2.810  -0.223  1.00  0.00           H   new
ATOM      0  HG  LEU A  19       0.387   0.506   0.627  1.00  0.00           H   new
ATOM      0 HD11 LEU A  19       1.469   0.370   2.860  1.00  0.00           H   new
ATOM      0 HD12 LEU A  19       2.549   1.138   1.672  1.00  0.00           H   new
ATOM      0 HD13 LEU A  19       1.681   2.137   2.862  1.00  0.00           H   new
ATOM      0 HD21 LEU A  19      -0.991   0.676   2.694  1.00  0.00           H   new
ATOM      0 HD22 LEU A  19      -0.769   2.442   2.693  1.00  0.00           H   new
ATOM      0 HD23 LEU A  19      -1.684   1.660   1.383  1.00  0.00           H   new
ATOM    296  N   VAL A  20       1.776   0.474  -1.986  1.00  0.00           N
ATOM    297  CA  VAL A  20       1.405  -0.236  -3.240  1.00  0.00           C
ATOM    298  C   VAL A  20       0.969  -1.668  -2.934  1.00  0.00           C
ATOM    299  O   VAL A  20       1.593  -2.368  -2.163  1.00  0.00           O
ATOM    300  CB  VAL A  20       2.680  -0.233  -4.082  1.00  0.00           C
ATOM    301  CG1 VAL A  20       2.970   1.189  -4.564  1.00  0.00           C
ATOM    302  CG2 VAL A  20       3.852  -0.731  -3.233  1.00  0.00           C
ATOM      0  H   VAL A  20       2.277  -0.087  -1.297  1.00  0.00           H   new
ATOM      0  HA  VAL A  20       0.571   0.242  -3.754  1.00  0.00           H   new
ATOM      0  HB  VAL A  20       2.548  -0.889  -4.943  1.00  0.00           H   new
ATOM      0 HG11 VAL A  20       3.880   1.191  -5.165  1.00  0.00           H   new
ATOM      0 HG12 VAL A  20       2.136   1.546  -5.168  1.00  0.00           H   new
ATOM      0 HG13 VAL A  20       3.102   1.845  -3.704  1.00  0.00           H   new
ATOM      0 HG21 VAL A  20       4.762  -0.729  -3.833  1.00  0.00           H   new
ATOM      0 HG22 VAL A  20       3.983  -0.075  -2.373  1.00  0.00           H   new
ATOM      0 HG23 VAL A  20       3.647  -1.744  -2.888  1.00  0.00           H   new
ATOM    312  N   CYS A  21      -0.099  -2.108  -3.538  1.00  0.00           N
ATOM    313  CA  CYS A  21      -0.578  -3.494  -3.287  1.00  0.00           C
ATOM    314  C   CYS A  21       0.515  -4.494  -3.666  1.00  0.00           C
ATOM    315  O   CYS A  21       1.221  -4.313  -4.637  1.00  0.00           O
ATOM    316  CB  CYS A  21      -1.797  -3.656  -4.192  1.00  0.00           C
ATOM    317  SG  CYS A  21      -2.809  -5.022  -3.586  1.00  0.00           S
ATOM      0  H   CYS A  21      -0.661  -1.567  -4.195  1.00  0.00           H   new
ATOM      0  HA  CYS A  21      -0.825  -3.672  -2.240  1.00  0.00           H   new
ATOM      0  HB2 CYS A  21      -2.379  -2.735  -4.206  1.00  0.00           H   new
ATOM      0  HB3 CYS A  21      -1.481  -3.849  -5.217  1.00  0.00           H   new
ATOM    322  N   SER A  22       0.670  -5.543  -2.905  1.00  0.00           N
ATOM    323  CA  SER A  22       1.732  -6.535  -3.233  1.00  0.00           C
ATOM    324  C   SER A  22       1.266  -7.960  -2.940  1.00  0.00           C
ATOM    325  O   SER A  22       0.720  -8.248  -1.889  1.00  0.00           O
ATOM    326  CB  SER A  22       2.906  -6.163  -2.333  1.00  0.00           C
ATOM    327  OG  SER A  22       3.165  -4.770  -2.453  1.00  0.00           O
ATOM      0  H   SER A  22       0.112  -5.755  -2.078  1.00  0.00           H   new
ATOM      0  HA  SER A  22       1.994  -6.511  -4.291  1.00  0.00           H   new
ATOM      0  HB2 SER A  22       2.679  -6.415  -1.297  1.00  0.00           H   new
ATOM      0  HB3 SER A  22       3.790  -6.735  -2.614  1.00  0.00           H   new
ATOM      0  HG  SER A  22       4.009  -4.554  -2.005  1.00  0.00           H   new
ATOM    333  N   SER A  23       1.493  -8.853  -3.869  1.00  0.00           N
ATOM    334  CA  SER A  23       1.095 -10.265  -3.670  1.00  0.00           C
ATOM    335  C   SER A  23       1.967 -10.889  -2.581  1.00  0.00           C
ATOM    336  O   SER A  23       1.597 -11.859  -1.949  1.00  0.00           O
ATOM    337  CB  SER A  23       1.345 -10.941  -5.018  1.00  0.00           C
ATOM    338  OG  SER A  23       0.098 -11.228  -5.638  1.00  0.00           O
ATOM      0  H   SER A  23       1.942  -8.655  -4.763  1.00  0.00           H   new
ATOM      0  HA  SER A  23       0.057 -10.372  -3.356  1.00  0.00           H   new
ATOM      0  HB2 SER A  23       1.942 -10.291  -5.658  1.00  0.00           H   new
ATOM      0  HB3 SER A  23       1.914 -11.860  -4.877  1.00  0.00           H   new
ATOM      0  HG  SER A  23       0.255 -11.660  -6.504  1.00  0.00           H   new
ATOM    344  N   ARG A  24       3.122 -10.323  -2.350  1.00  0.00           N
ATOM    345  CA  ARG A  24       4.019 -10.862  -1.291  1.00  0.00           C
ATOM    346  C   ARG A  24       3.519 -10.379   0.066  1.00  0.00           C
ATOM    347  O   ARG A  24       3.564 -11.090   1.050  1.00  0.00           O
ATOM    348  CB  ARG A  24       5.399 -10.277  -1.601  1.00  0.00           C
ATOM    349  CG  ARG A  24       6.484 -11.276  -1.192  1.00  0.00           C
ATOM    350  CD  ARG A  24       6.833 -11.077   0.285  1.00  0.00           C
ATOM    351  NE  ARG A  24       8.190 -10.460   0.279  1.00  0.00           N
ATOM    352  CZ  ARG A  24       9.228 -11.162  -0.089  1.00  0.00           C
ATOM    353  NH1 ARG A  24       9.124 -12.454  -0.243  1.00  0.00           N
ATOM    354  NH2 ARG A  24      10.371 -10.570  -0.305  1.00  0.00           N
ATOM      0  H   ARG A  24       3.482  -9.510  -2.850  1.00  0.00           H   new
ATOM      0  HA  ARG A  24       4.049 -11.951  -1.267  1.00  0.00           H   new
ATOM      0  HB2 ARG A  24       5.479 -10.053  -2.665  1.00  0.00           H   new
ATOM      0  HB3 ARG A  24       5.535  -9.337  -1.066  1.00  0.00           H   new
ATOM      0  HG2 ARG A  24       6.136 -12.295  -1.360  1.00  0.00           H   new
ATOM      0  HG3 ARG A  24       7.372 -11.137  -1.808  1.00  0.00           H   new
ATOM      0  HD2 ARG A  24       6.107 -10.431   0.779  1.00  0.00           H   new
ATOM      0  HD3 ARG A  24       6.833 -12.025   0.822  1.00  0.00           H   new
ATOM      0  HE  ARG A  24       8.308  -9.487   0.563  1.00  0.00           H   new
ATOM      0 HH11 ARG A  24       8.231 -12.917  -0.076  1.00  0.00           H   new
ATOM      0 HH12 ARG A  24       9.936 -13.000  -0.530  1.00  0.00           H   new
ATOM      0 HH21 ARG A  24      10.453  -9.560  -0.186  1.00  0.00           H   new
ATOM      0 HH22 ARG A  24      11.182 -11.117  -0.592  1.00  0.00           H   new
ATOM    368  N   TRP A  25       3.013  -9.178   0.113  1.00  0.00           N
ATOM    369  CA  TRP A  25       2.473  -8.647   1.392  1.00  0.00           C
ATOM    370  C   TRP A  25       0.957  -8.841   1.419  1.00  0.00           C
ATOM    371  O   TRP A  25       0.304  -8.525   2.386  1.00  0.00           O
ATOM    372  CB  TRP A  25       2.845  -7.169   1.407  1.00  0.00           C
ATOM    373  CG  TRP A  25       4.333  -7.049   1.297  1.00  0.00           C
ATOM    374  CD1 TRP A  25       5.002  -6.555   0.227  1.00  0.00           C
ATOM    375  CD2 TRP A  25       5.351  -7.435   2.267  1.00  0.00           C
ATOM    376  NE1 TRP A  25       6.358  -6.608   0.484  1.00  0.00           N
ATOM    377  CE2 TRP A  25       6.621  -7.139   1.722  1.00  0.00           C
ATOM    378  CE3 TRP A  25       5.301  -8.002   3.553  1.00  0.00           C
ATOM    379  CZ2 TRP A  25       7.794  -7.393   2.416  1.00  0.00           C
ATOM    380  CZ3 TRP A  25       6.487  -8.261   4.260  1.00  0.00           C
ATOM    381  CH2 TRP A  25       7.732  -7.957   3.692  1.00  0.00           C
ATOM      0  H   TRP A  25       2.951  -8.541  -0.682  1.00  0.00           H   new
ATOM      0  HA  TRP A  25       2.877  -9.157   2.267  1.00  0.00           H   new
ATOM      0  HB2 TRP A  25       2.362  -6.649   0.580  1.00  0.00           H   new
ATOM      0  HB3 TRP A  25       2.495  -6.700   2.327  1.00  0.00           H   new
ATOM      0  HD1 TRP A  25       4.549  -6.181  -0.679  1.00  0.00           H   new
ATOM      0  HE1 TRP A  25       7.076  -6.291  -0.167  1.00  0.00           H   new
ATOM      0  HE3 TRP A  25       4.347  -8.239   3.999  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  25       8.750  -7.156   1.973  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  25       6.439  -8.697   5.247  1.00  0.00           H   new
ATOM      0  HH2 TRP A  25       8.641  -8.158   4.240  1.00  0.00           H   new
ATOM    392  N   LYS A  26       0.405  -9.372   0.357  1.00  0.00           N
ATOM    393  CA  LYS A  26      -1.065  -9.627   0.299  1.00  0.00           C
ATOM    394  C   LYS A  26      -1.858  -8.389   0.705  1.00  0.00           C
ATOM    395  O   LYS A  26      -2.926  -8.482   1.275  1.00  0.00           O
ATOM    396  CB  LYS A  26      -1.308 -10.811   1.255  1.00  0.00           C
ATOM    397  CG  LYS A  26      -1.463 -10.344   2.713  1.00  0.00           C
ATOM    398  CD  LYS A  26      -0.242 -10.787   3.531  1.00  0.00           C
ATOM    399  CE  LYS A  26      -0.182 -12.316   3.573  1.00  0.00           C
ATOM    400  NZ  LYS A  26      -0.006 -12.653   5.013  1.00  0.00           N
ATOM      0  H   LYS A  26       0.918  -9.643  -0.482  1.00  0.00           H   new
ATOM      0  HA  LYS A  26      -1.400  -9.861  -0.711  1.00  0.00           H   new
ATOM      0  HB2 LYS A  26      -2.205 -11.348   0.948  1.00  0.00           H   new
ATOM      0  HB3 LYS A  26      -0.477 -11.512   1.184  1.00  0.00           H   new
ATOM      0  HG2 LYS A  26      -1.563  -9.259   2.749  1.00  0.00           H   new
ATOM      0  HG3 LYS A  26      -2.373 -10.762   3.144  1.00  0.00           H   new
ATOM      0  HD2 LYS A  26       0.670 -10.389   3.087  1.00  0.00           H   new
ATOM      0  HD3 LYS A  26      -0.305 -10.387   4.543  1.00  0.00           H   new
ATOM      0  HE2 LYS A  26      -1.094 -12.758   3.172  1.00  0.00           H   new
ATOM      0  HE3 LYS A  26       0.646 -12.696   2.974  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  26       0.044 -13.686   5.124  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  26       0.874 -12.224   5.365  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  26      -0.812 -12.285   5.557  1.00  0.00           H   new
ATOM    414  N   TRP A  27      -1.349  -7.235   0.387  1.00  0.00           N
ATOM    415  CA  TRP A  27      -2.070  -5.971   0.724  1.00  0.00           C
ATOM    416  C   TRP A  27      -1.210  -4.761   0.367  1.00  0.00           C
ATOM    417  O   TRP A  27      -0.052  -4.895   0.024  1.00  0.00           O
ATOM    418  CB  TRP A  27      -2.339  -6.011   2.239  1.00  0.00           C
ATOM    419  CG  TRP A  27      -1.066  -6.188   3.020  1.00  0.00           C
ATOM    420  CD1 TRP A  27       0.080  -5.492   2.837  1.00  0.00           C
ATOM    421  CD2 TRP A  27      -0.816  -7.079   4.148  1.00  0.00           C
ATOM    422  NE1 TRP A  27       1.018  -5.921   3.758  1.00  0.00           N
ATOM    423  CE2 TRP A  27       0.514  -6.892   4.585  1.00  0.00           C
ATOM    424  CE3 TRP A  27      -1.604  -8.026   4.818  1.00  0.00           C
ATOM    425  CZ2 TRP A  27       1.045  -7.613   5.646  1.00  0.00           C
ATOM    426  CZ3 TRP A  27      -1.075  -8.757   5.895  1.00  0.00           C
ATOM    427  CH2 TRP A  27       0.249  -8.552   6.308  1.00  0.00           C
ATOM      0  H   TRP A  27      -0.459  -7.108  -0.095  1.00  0.00           H   new
ATOM      0  HA  TRP A  27      -3.001  -5.886   0.163  1.00  0.00           H   new
ATOM      0  HB2 TRP A  27      -2.831  -5.088   2.547  1.00  0.00           H   new
ATOM      0  HB3 TRP A  27      -3.023  -6.828   2.467  1.00  0.00           H   new
ATOM      0  HD1 TRP A  27       0.237  -4.726   2.092  1.00  0.00           H   new
ATOM      0  HE1 TRP A  27       1.970  -5.559   3.815  1.00  0.00           H   new
ATOM      0  HE3 TRP A  27      -2.624  -8.194   4.504  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  27       2.066  -7.449   5.958  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  27      -1.692  -9.481   6.407  1.00  0.00           H   new
ATOM      0  HH2 TRP A  27       0.652  -9.118   7.135  1.00  0.00           H   new
ATOM    438  N   CYS A  28      -1.752  -3.578   0.465  1.00  0.00           N
ATOM    439  CA  CYS A  28      -0.941  -2.371   0.154  1.00  0.00           C
ATOM    440  C   CYS A  28       0.266  -2.347   1.089  1.00  0.00           C
ATOM    441  O   CYS A  28       0.155  -2.655   2.257  1.00  0.00           O
ATOM    442  CB  CYS A  28      -1.874  -1.191   0.422  1.00  0.00           C
ATOM    443  SG  CYS A  28      -3.211  -1.214  -0.796  1.00  0.00           S
ATOM      0  H   CYS A  28      -2.716  -3.397   0.745  1.00  0.00           H   new
ATOM      0  HA  CYS A  28      -0.566  -2.347  -0.869  1.00  0.00           H   new
ATOM      0  HB2 CYS A  28      -2.282  -1.254   1.431  1.00  0.00           H   new
ATOM      0  HB3 CYS A  28      -1.323  -0.253   0.359  1.00  0.00           H   new
ATOM    448  N   VAL A  29       1.426  -2.024   0.590  1.00  0.00           N
ATOM    449  CA  VAL A  29       2.624  -2.034   1.476  1.00  0.00           C
ATOM    450  C   VAL A  29       3.405  -0.729   1.374  1.00  0.00           C
ATOM    451  O   VAL A  29       3.375  -0.049   0.371  1.00  0.00           O
ATOM    452  CB  VAL A  29       3.486  -3.194   0.991  1.00  0.00           C
ATOM    453  CG1 VAL A  29       4.338  -3.718   2.148  1.00  0.00           C
ATOM    454  CG2 VAL A  29       2.603  -4.330   0.455  1.00  0.00           C
ATOM      0  H   VAL A  29       1.596  -1.757  -0.380  1.00  0.00           H   new
ATOM      0  HA  VAL A  29       2.332  -2.143   2.521  1.00  0.00           H   new
ATOM      0  HB  VAL A  29       4.132  -2.838   0.188  1.00  0.00           H   new
ATOM      0 HG11 VAL A  29       4.954  -4.547   1.800  1.00  0.00           H   new
ATOM      0 HG12 VAL A  29       4.981  -2.919   2.518  1.00  0.00           H   new
ATOM      0 HG13 VAL A  29       3.688  -4.062   2.952  1.00  0.00           H   new
ATOM      0 HG21 VAL A  29       3.234  -5.150   0.113  1.00  0.00           H   new
ATOM      0 HG22 VAL A  29       1.945  -4.685   1.248  1.00  0.00           H   new
ATOM      0 HG23 VAL A  29       2.003  -3.962  -0.377  1.00  0.00           H   new
ATOM    464  N   LEU A  30       4.107  -0.387   2.419  1.00  0.00           N
ATOM    465  CA  LEU A  30       4.910   0.872   2.418  1.00  0.00           C
ATOM    466  C   LEU A  30       5.956   0.844   1.299  1.00  0.00           C
ATOM    467  O   LEU A  30       7.137   0.710   1.548  1.00  0.00           O
ATOM    468  CB  LEU A  30       5.595   0.918   3.789  1.00  0.00           C
ATOM    469  CG  LEU A  30       6.132  -0.469   4.163  1.00  0.00           C
ATOM    470  CD1 LEU A  30       7.641  -0.388   4.394  1.00  0.00           C
ATOM    471  CD2 LEU A  30       5.446  -0.945   5.446  1.00  0.00           C
ATOM      0  H   LEU A  30       4.160  -0.929   3.281  1.00  0.00           H   new
ATOM      0  HA  LEU A  30       4.286   1.749   2.245  1.00  0.00           H   new
ATOM      0  HB2 LEU A  30       6.412   1.639   3.771  1.00  0.00           H   new
ATOM      0  HB3 LEU A  30       4.887   1.258   4.545  1.00  0.00           H   new
ATOM      0  HG  LEU A  30       5.927  -1.170   3.354  1.00  0.00           H   new
ATOM      0 HD11 LEU A  30       8.022  -1.374   4.660  1.00  0.00           H   new
ATOM      0 HD12 LEU A  30       8.131  -0.043   3.483  1.00  0.00           H   new
ATOM      0 HD13 LEU A  30       7.848   0.311   5.204  1.00  0.00           H   new
ATOM      0 HD21 LEU A  30       5.824  -1.931   5.717  1.00  0.00           H   new
ATOM      0 HD22 LEU A  30       5.655  -0.242   6.253  1.00  0.00           H   new
ATOM      0 HD23 LEU A  30       4.370  -1.001   5.284  1.00  0.00           H   new
ATOM    483  N   ALA A  31       5.525   0.977   0.070  1.00  0.00           N
ATOM    484  CA  ALA A  31       6.481   0.965  -1.078  1.00  0.00           C
ATOM    485  C   ALA A  31       7.612  -0.034  -0.822  1.00  0.00           C
ATOM    486  O   ALA A  31       8.777   0.303  -0.888  1.00  0.00           O
ATOM    487  CB  ALA A  31       7.028   2.392  -1.154  1.00  0.00           C
ATOM      0  H   ALA A  31       4.545   1.094  -0.189  1.00  0.00           H   new
ATOM      0  HA  ALA A  31       6.001   0.662  -2.009  1.00  0.00           H   new
ATOM      0  HB1 ALA A  31       7.740   2.465  -1.976  1.00  0.00           H   new
ATOM      0  HB2 ALA A  31       6.206   3.088  -1.323  1.00  0.00           H   new
ATOM      0  HB3 ALA A  31       7.528   2.640  -0.218  1.00  0.00           H   new
ATOM    493  N   SER A  32       7.275  -1.259  -0.522  1.00  0.00           N
ATOM    494  CA  SER A  32       8.329  -2.278  -0.252  1.00  0.00           C
ATOM    495  C   SER A  32       9.300  -1.755   0.812  1.00  0.00           C
ATOM    496  O   SER A  32       9.222  -0.611   1.212  1.00  0.00           O
ATOM    497  CB  SER A  32       9.044  -2.472  -1.590  1.00  0.00           C
ATOM    498  OG  SER A  32      10.266  -1.746  -1.580  1.00  0.00           O
ATOM      0  H   SER A  32       6.316  -1.598  -0.452  1.00  0.00           H   new
ATOM      0  HA  SER A  32       7.918  -3.214   0.125  1.00  0.00           H   new
ATOM      0  HB2 SER A  32       9.238  -3.531  -1.761  1.00  0.00           H   new
ATOM      0  HB3 SER A  32       8.410  -2.128  -2.407  1.00  0.00           H   new
ATOM      0  HG  SER A  32      10.079  -0.792  -1.460  1.00  0.00           H   new
ATOM    504  N   PRO A  33      10.183  -2.616   1.238  1.00  0.00           N
ATOM    505  CA  PRO A  33      11.178  -2.237   2.272  1.00  0.00           C
ATOM    506  C   PRO A  33      12.226  -1.292   1.677  1.00  0.00           C
ATOM    507  O   PRO A  33      13.410  -1.562   1.710  1.00  0.00           O
ATOM    508  CB  PRO A  33      11.807  -3.568   2.671  1.00  0.00           C
ATOM    509  CG  PRO A  33      11.607  -4.460   1.487  1.00  0.00           C
ATOM    510  CD  PRO A  33      10.339  -4.009   0.806  1.00  0.00           C
ATOM      0  HA  PRO A  33      10.739  -1.711   3.120  1.00  0.00           H   new
ATOM      0  HB2 PRO A  33      12.866  -3.451   2.903  1.00  0.00           H   new
ATOM      0  HB3 PRO A  33      11.330  -3.979   3.560  1.00  0.00           H   new
ATOM      0  HG2 PRO A  33      12.455  -4.393   0.806  1.00  0.00           H   new
ATOM      0  HG3 PRO A  33      11.529  -5.502   1.798  1.00  0.00           H   new
ATOM      0  HD2 PRO A  33      10.419  -4.084  -0.278  1.00  0.00           H   new
ATOM      0  HD3 PRO A  33       9.486  -4.618   1.106  1.00  0.00           H   new
ATOM    518  N   PHE A  34      11.799  -0.187   1.131  1.00  0.00           N
ATOM    519  CA  PHE A  34      12.768   0.774   0.531  1.00  0.00           C
ATOM    520  C   PHE A  34      12.612   2.154   1.176  1.00  0.00           C
ATOM    521  O   PHE A  34      13.355   3.047   0.804  1.00  0.00           O
ATOM    522  CB  PHE A  34      12.398   0.826  -0.951  1.00  0.00           C
ATOM    523  CG  PHE A  34      13.328   1.775  -1.668  1.00  0.00           C
ATOM    524  CD1 PHE A  34      14.665   1.417  -1.880  1.00  0.00           C
ATOM    525  CD2 PHE A  34      12.853   3.011  -2.122  1.00  0.00           C
ATOM    526  CE1 PHE A  34      15.527   2.297  -2.545  1.00  0.00           C
ATOM    527  CE2 PHE A  34      13.714   3.890  -2.788  1.00  0.00           C
ATOM    528  CZ  PHE A  34      15.052   3.533  -2.999  1.00  0.00           C
ATOM    529  OXT PHE A  34      11.752   2.294   2.030  1.00  0.00           O
ATOM      0  H   PHE A  34      10.820   0.093   1.074  1.00  0.00           H   new
ATOM      0  HA  PHE A  34      13.804   0.471   0.683  1.00  0.00           H   new
ATOM      0  HB2 PHE A  34      12.468  -0.169  -1.390  1.00  0.00           H   new
ATOM      0  HB3 PHE A  34      11.365   1.154  -1.068  1.00  0.00           H   new
ATOM      0  HD1 PHE A  34      15.031   0.463  -1.531  1.00  0.00           H   new
ATOM      0  HD2 PHE A  34      11.822   3.286  -1.958  1.00  0.00           H   new
ATOM      0  HE1 PHE A  34      16.559   2.022  -2.708  1.00  0.00           H   new
ATOM      0  HE2 PHE A  34      13.347   4.843  -3.139  1.00  0.00           H   new
ATOM      0  HZ  PHE A  34      15.717   4.212  -3.512  1.00  0.00           H   new
TER     539      PHE A  34