USER  MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=8
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+    146:sc=  -0.379   (180deg=-1.26)
USER  MOD Single : A   4 LYS NZ  :NH3+   -155:sc=       0   (180deg=-0.00451)
USER  MOD Single : A   6 MET CE  :methyl -152:sc=  -0.528   (180deg=-2.14!)
USER  MOD Single : A   8 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  10 LYS NZ  :NH3+    180:sc=  -0.043   (180deg=-0.043)
USER  MOD Single : A  11 ASN     :      amide:sc=  -0.315  K(o=-0.31,f=-2.7!)
USER  MOD Single : A  12 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  13 ASN     :      amide:sc= -0.0215  X(o=-0.022,f=0)
USER  MOD Single : A  17 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  22 SER OG  :   rot -110:sc=  -0.045
USER  MOD Single : A  23 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  26 LYS NZ  :NH3+   -151:sc=   -2.17!  (180deg=-3.77!)
USER  MOD Single : A  32 SER OG  :   rot  180:sc=       0
USER  MOD -----------------------------------------------------------------
ATOM      1  N   GLU A   1      -8.261   4.740  -3.952  1.00  0.00           N
ATOM      2  CA  GLU A   1      -8.373   5.608  -2.743  1.00  0.00           C
ATOM      3  C   GLU A   1      -7.204   5.350  -1.793  1.00  0.00           C
ATOM      4  O   GLU A   1      -6.239   4.696  -2.139  1.00  0.00           O
ATOM      5  CB  GLU A   1      -9.694   5.211  -2.081  1.00  0.00           C
ATOM      6  CG  GLU A   1      -9.711   3.701  -1.837  1.00  0.00           C
ATOM      7  CD  GLU A   1     -10.900   3.344  -0.942  1.00  0.00           C
ATOM      8  OE1 GLU A   1     -11.572   4.257  -0.491  1.00  0.00           O
ATOM      9  OE2 GLU A   1     -11.118   2.164  -0.723  1.00  0.00           O
ATOM      0  H1  GLU A   1      -9.212   4.470  -4.275  1.00  0.00           H   new
ATOM      0  H2  GLU A   1      -7.773   5.260  -4.709  1.00  0.00           H   new
ATOM      0  H3  GLU A   1      -7.720   3.884  -3.716  1.00  0.00           H   new
ATOM      0  HA  GLU A   1      -8.348   6.667  -2.999  1.00  0.00           H   new
ATOM      0  HB2 GLU A   1      -9.814   5.744  -1.138  1.00  0.00           H   new
ATOM      0  HB3 GLU A   1     -10.532   5.496  -2.717  1.00  0.00           H   new
ATOM      0  HG2 GLU A   1      -9.783   3.169  -2.786  1.00  0.00           H   new
ATOM      0  HG3 GLU A   1      -8.780   3.387  -1.366  1.00  0.00           H   new
ATOM     18  N   CYS A   2      -7.287   5.859  -0.596  1.00  0.00           N
ATOM     19  CA  CYS A   2      -6.184   5.649   0.387  1.00  0.00           C
ATOM     20  C   CYS A   2      -6.747   5.053   1.681  1.00  0.00           C
ATOM     21  O   CYS A   2      -7.531   5.673   2.372  1.00  0.00           O
ATOM     22  CB  CYS A   2      -5.605   7.047   0.630  1.00  0.00           C
ATOM     23  SG  CYS A   2      -4.618   7.071   2.155  1.00  0.00           S
ATOM      0  H   CYS A   2      -8.072   6.413  -0.254  1.00  0.00           H   new
ATOM      0  HA  CYS A   2      -5.423   4.956   0.027  1.00  0.00           H   new
ATOM      0  HB2 CYS A   2      -4.985   7.342  -0.216  1.00  0.00           H   new
ATOM      0  HB3 CYS A   2      -6.414   7.774   0.702  1.00  0.00           H   new
ATOM     28  N   GLY A   3      -6.348   3.855   2.013  1.00  0.00           N
ATOM     29  CA  GLY A   3      -6.855   3.224   3.263  1.00  0.00           C
ATOM     30  C   GLY A   3      -5.709   3.092   4.265  1.00  0.00           C
ATOM     31  O   GLY A   3      -5.064   4.059   4.615  1.00  0.00           O
ATOM      0  H   GLY A   3      -5.694   3.288   1.473  1.00  0.00           H   new
ATOM      0  HA2 GLY A   3      -7.657   3.827   3.688  1.00  0.00           H   new
ATOM      0  HA3 GLY A   3      -7.276   2.243   3.043  1.00  0.00           H   new
ATOM     35  N   LYS A   4      -5.448   1.901   4.729  1.00  0.00           N
ATOM     36  CA  LYS A   4      -4.340   1.711   5.706  1.00  0.00           C
ATOM     37  C   LYS A   4      -3.518   0.476   5.338  1.00  0.00           C
ATOM     38  O   LYS A   4      -4.031  -0.487   4.803  1.00  0.00           O
ATOM     39  CB  LYS A   4      -5.030   1.514   7.054  1.00  0.00           C
ATOM     40  CG  LYS A   4      -4.348   2.389   8.107  1.00  0.00           C
ATOM     41  CD  LYS A   4      -3.286   1.569   8.844  1.00  0.00           C
ATOM     42  CE  LYS A   4      -2.025   2.417   9.031  1.00  0.00           C
ATOM     43  NZ  LYS A   4      -1.021   1.493   9.634  1.00  0.00           N
ATOM      0  H   LYS A   4      -5.953   1.052   4.474  1.00  0.00           H   new
ATOM      0  HA  LYS A   4      -3.653   2.557   5.721  1.00  0.00           H   new
ATOM      0  HB2 LYS A   4      -6.085   1.775   6.976  1.00  0.00           H   new
ATOM      0  HB3 LYS A   4      -4.982   0.466   7.350  1.00  0.00           H   new
ATOM      0  HG2 LYS A   4      -3.888   3.256   7.632  1.00  0.00           H   new
ATOM      0  HG3 LYS A   4      -5.086   2.767   8.814  1.00  0.00           H   new
ATOM      0  HD2 LYS A   4      -3.668   1.247   9.813  1.00  0.00           H   new
ATOM      0  HD3 LYS A   4      -3.050   0.667   8.279  1.00  0.00           H   new
ATOM      0  HE2 LYS A   4      -1.673   2.815   8.079  1.00  0.00           H   new
ATOM      0  HE3 LYS A   4      -2.217   3.270   9.682  1.00  0.00           H   new
ATOM      0  HZ1 LYS A   4      -0.319   2.044  10.169  1.00  0.00           H   new
ATOM      0  HZ2 LYS A   4      -1.501   0.829  10.274  1.00  0.00           H   new
ATOM      0  HZ3 LYS A   4      -0.542   0.961   8.880  1.00  0.00           H   new
ATOM     57  N   PHE A   5      -2.244   0.497   5.620  1.00  0.00           N
ATOM     58  CA  PHE A   5      -1.385  -0.672   5.290  1.00  0.00           C
ATOM     59  C   PHE A   5      -2.113  -1.977   5.616  1.00  0.00           C
ATOM     60  O   PHE A   5      -3.025  -2.009   6.418  1.00  0.00           O
ATOM     61  CB  PHE A   5      -0.149  -0.512   6.174  1.00  0.00           C
ATOM     62  CG  PHE A   5       0.773  -1.697   5.989  1.00  0.00           C
ATOM     63  CD1 PHE A   5       0.582  -2.860   6.746  1.00  0.00           C
ATOM     64  CD2 PHE A   5       1.822  -1.629   5.065  1.00  0.00           C
ATOM     65  CE1 PHE A   5       1.442  -3.952   6.580  1.00  0.00           C
ATOM     66  CE2 PHE A   5       2.680  -2.721   4.899  1.00  0.00           C
ATOM     67  CZ  PHE A   5       2.491  -3.882   5.655  1.00  0.00           C
ATOM      0  H   PHE A   5      -1.761   1.277   6.066  1.00  0.00           H   new
ATOM      0  HA  PHE A   5      -1.130  -0.711   4.231  1.00  0.00           H   new
ATOM      0  HB2 PHE A   5       0.374   0.410   5.920  1.00  0.00           H   new
ATOM      0  HB3 PHE A   5      -0.447  -0.432   7.219  1.00  0.00           H   new
ATOM      0  HD1 PHE A   5      -0.229  -2.914   7.458  1.00  0.00           H   new
ATOM      0  HD2 PHE A   5       1.969  -0.733   4.480  1.00  0.00           H   new
ATOM      0  HE1 PHE A   5       1.297  -4.848   7.165  1.00  0.00           H   new
ATOM      0  HE2 PHE A   5       3.489  -2.667   4.186  1.00  0.00           H   new
ATOM      0  HZ  PHE A   5       3.154  -4.725   5.526  1.00  0.00           H   new
ATOM     77  N   MET A   6      -1.711  -3.052   4.993  1.00  0.00           N
ATOM     78  CA  MET A   6      -2.361  -4.374   5.247  1.00  0.00           C
ATOM     79  C   MET A   6      -3.735  -4.443   4.573  1.00  0.00           C
ATOM     80  O   MET A   6      -4.393  -5.464   4.596  1.00  0.00           O
ATOM     81  CB  MET A   6      -2.507  -4.485   6.767  1.00  0.00           C
ATOM     82  CG  MET A   6      -2.135  -5.901   7.210  1.00  0.00           C
ATOM     83  SD  MET A   6      -1.931  -5.937   9.008  1.00  0.00           S
ATOM     84  CE  MET A   6      -0.124  -5.841   9.036  1.00  0.00           C
ATOM      0  H   MET A   6      -0.952  -3.073   4.312  1.00  0.00           H   new
ATOM      0  HA  MET A   6      -1.767  -5.191   4.839  1.00  0.00           H   new
ATOM      0  HB2 MET A   6      -1.863  -3.757   7.260  1.00  0.00           H   new
ATOM      0  HB3 MET A   6      -3.531  -4.256   7.063  1.00  0.00           H   new
ATOM      0  HG2 MET A   6      -2.911  -6.604   6.907  1.00  0.00           H   new
ATOM      0  HG3 MET A   6      -1.212  -6.215   6.722  1.00  0.00           H   new
ATOM      0  HE1 MET A   6       0.252  -6.328   9.936  1.00  0.00           H   new
ATOM      0  HE2 MET A   6       0.281  -6.342   8.156  1.00  0.00           H   new
ATOM      0  HE3 MET A   6       0.185  -4.796   9.033  1.00  0.00           H   new
ATOM     94  N   TRP A   7      -4.178  -3.372   3.974  1.00  0.00           N
ATOM     95  CA  TRP A   7      -5.512  -3.396   3.307  1.00  0.00           C
ATOM     96  C   TRP A   7      -5.489  -4.329   2.093  1.00  0.00           C
ATOM     97  O   TRP A   7      -4.553  -4.329   1.315  1.00  0.00           O
ATOM     98  CB  TRP A   7      -5.771  -1.957   2.864  1.00  0.00           C
ATOM     99  CG  TRP A   7      -6.571  -1.256   3.907  1.00  0.00           C
ATOM    100  CD1 TRP A   7      -6.398  -1.386   5.242  1.00  0.00           C
ATOM    101  CD2 TRP A   7      -7.668  -0.321   3.726  1.00  0.00           C
ATOM    102  NE1 TRP A   7      -7.325  -0.587   5.889  1.00  0.00           N
ATOM    103  CE2 TRP A   7      -8.127   0.086   4.997  1.00  0.00           C
ATOM    104  CE3 TRP A   7      -8.301   0.208   2.591  1.00  0.00           C
ATOM    105  CZ2 TRP A   7      -9.176   0.983   5.144  1.00  0.00           C
ATOM    106  CZ3 TRP A   7      -9.365   1.117   2.731  1.00  0.00           C
ATOM    107  CH2 TRP A   7      -9.801   1.505   4.007  1.00  0.00           C
ATOM      0  H   TRP A   7      -3.677  -2.485   3.917  1.00  0.00           H   new
ATOM      0  HA  TRP A   7      -6.291  -3.763   3.976  1.00  0.00           H   new
ATOM      0  HB2 TRP A   7      -4.826  -1.438   2.705  1.00  0.00           H   new
ATOM      0  HB3 TRP A   7      -6.304  -1.948   1.913  1.00  0.00           H   new
ATOM      0  HD1 TRP A   7      -5.659  -2.010   5.723  1.00  0.00           H   new
ATOM      0  HE1 TRP A   7      -7.404  -0.507   6.903  1.00  0.00           H   new
ATOM      0  HE3 TRP A   7      -7.970  -0.084   1.605  1.00  0.00           H   new
ATOM      0  HZ2 TRP A   7      -9.507   1.276   6.129  1.00  0.00           H   new
ATOM      0  HZ3 TRP A   7      -9.849   1.518   1.853  1.00  0.00           H   new
ATOM      0  HH2 TRP A   7     -10.617   2.205   4.111  1.00  0.00           H   new
ATOM    118  N   LYS A   8      -6.520  -5.116   1.924  1.00  0.00           N
ATOM    119  CA  LYS A   8      -6.574  -6.044   0.759  1.00  0.00           C
ATOM    120  C   LYS A   8      -6.877  -5.258  -0.518  1.00  0.00           C
ATOM    121  O   LYS A   8      -7.860  -4.550  -0.606  1.00  0.00           O
ATOM    122  CB  LYS A   8      -7.715  -7.014   1.072  1.00  0.00           C
ATOM    123  CG  LYS A   8      -9.035  -6.244   1.125  1.00  0.00           C
ATOM    124  CD  LYS A   8      -9.814  -6.474  -0.172  1.00  0.00           C
ATOM    125  CE  LYS A   8     -11.176  -7.091   0.152  1.00  0.00           C
ATOM    126  NZ  LYS A   8     -11.794  -7.374  -1.173  1.00  0.00           N
ATOM      0  H   LYS A   8      -7.328  -5.155   2.545  1.00  0.00           H   new
ATOM      0  HA  LYS A   8      -5.630  -6.566   0.601  1.00  0.00           H   new
ATOM      0  HB2 LYS A   8      -7.765  -7.792   0.310  1.00  0.00           H   new
ATOM      0  HB3 LYS A   8      -7.533  -7.512   2.024  1.00  0.00           H   new
ATOM      0  HG2 LYS A   8      -9.626  -6.573   1.980  1.00  0.00           H   new
ATOM      0  HG3 LYS A   8      -8.842  -5.180   1.262  1.00  0.00           H   new
ATOM      0  HD2 LYS A   8      -9.947  -5.530  -0.701  1.00  0.00           H   new
ATOM      0  HD3 LYS A   8      -9.252  -7.134  -0.834  1.00  0.00           H   new
ATOM      0  HE2 LYS A   8     -11.067  -8.002   0.740  1.00  0.00           H   new
ATOM      0  HE3 LYS A   8     -11.791  -6.406   0.736  1.00  0.00           H   new
ATOM      0  HZ1 LYS A   8     -12.733  -7.799  -1.034  1.00  0.00           H   new
ATOM      0  HZ2 LYS A   8     -11.891  -6.487  -1.707  1.00  0.00           H   new
ATOM      0  HZ3 LYS A   8     -11.190  -8.033  -1.704  1.00  0.00           H   new
ATOM    140  N   CYS A   9      -6.031  -5.366  -1.501  1.00  0.00           N
ATOM    141  CA  CYS A   9      -6.251  -4.617  -2.767  1.00  0.00           C
ATOM    142  C   CYS A   9      -5.956  -5.515  -3.971  1.00  0.00           C
ATOM    143  O   CYS A   9      -5.689  -6.691  -3.829  1.00  0.00           O
ATOM    144  CB  CYS A   9      -5.264  -3.443  -2.719  1.00  0.00           C
ATOM    145  SG  CYS A   9      -3.774  -3.896  -1.787  1.00  0.00           S
ATOM      0  H   CYS A   9      -5.191  -5.945  -1.482  1.00  0.00           H   new
ATOM      0  HA  CYS A   9      -7.282  -4.276  -2.867  1.00  0.00           H   new
ATOM      0  HB2 CYS A   9      -4.990  -3.150  -3.733  1.00  0.00           H   new
ATOM      0  HB3 CYS A   9      -5.741  -2.579  -2.255  1.00  0.00           H   new
ATOM    150  N   LYS A  10      -6.005  -4.968  -5.155  1.00  0.00           N
ATOM    151  CA  LYS A  10      -5.732  -5.791  -6.368  1.00  0.00           C
ATOM    152  C   LYS A  10      -4.317  -5.536  -6.881  1.00  0.00           C
ATOM    153  O   LYS A  10      -3.626  -6.442  -7.303  1.00  0.00           O
ATOM    154  CB  LYS A  10      -6.762  -5.331  -7.400  1.00  0.00           C
ATOM    155  CG  LYS A  10      -6.373  -3.950  -7.939  1.00  0.00           C
ATOM    156  CD  LYS A  10      -7.513  -3.405  -8.801  1.00  0.00           C
ATOM    157  CE  LYS A  10      -7.401  -1.882  -8.898  1.00  0.00           C
ATOM    158  NZ  LYS A  10      -6.715  -1.626 -10.196  1.00  0.00           N
ATOM      0  H   LYS A  10      -6.222  -3.988  -5.335  1.00  0.00           H   new
ATOM      0  HA  LYS A  10      -5.805  -6.859  -6.161  1.00  0.00           H   new
ATOM      0  HB2 LYS A  10      -6.817  -6.049  -8.218  1.00  0.00           H   new
ATOM      0  HB3 LYS A  10      -7.752  -5.289  -6.946  1.00  0.00           H   new
ATOM      0  HG2 LYS A  10      -6.168  -3.269  -7.113  1.00  0.00           H   new
ATOM      0  HG3 LYS A  10      -5.458  -4.021  -8.528  1.00  0.00           H   new
ATOM      0  HD2 LYS A  10      -7.473  -3.847  -9.797  1.00  0.00           H   new
ATOM      0  HD3 LYS A  10      -8.474  -3.682  -8.368  1.00  0.00           H   new
ATOM      0  HE2 LYS A  10      -8.384  -1.412  -8.872  1.00  0.00           H   new
ATOM      0  HE3 LYS A  10      -6.831  -1.475  -8.063  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  10      -6.602  -0.601 -10.333  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  10      -5.779  -2.079 -10.189  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  10      -7.284  -2.019 -10.973  1.00  0.00           H   new
ATOM    172  N   ASN A  11      -3.881  -4.308  -6.860  1.00  0.00           N
ATOM    173  CA  ASN A  11      -2.511  -4.006  -7.359  1.00  0.00           C
ATOM    174  C   ASN A  11      -1.959  -2.732  -6.718  1.00  0.00           C
ATOM    175  O   ASN A  11      -0.791  -2.656  -6.396  1.00  0.00           O
ATOM    176  CB  ASN A  11      -2.672  -3.821  -8.868  1.00  0.00           C
ATOM    177  CG  ASN A  11      -2.065  -5.022  -9.595  1.00  0.00           C
ATOM    178  OD1 ASN A  11      -1.229  -5.717  -9.050  1.00  0.00           O
ATOM    179  ND2 ASN A  11      -2.449  -5.298 -10.811  1.00  0.00           N
ATOM      0  H   ASN A  11      -4.410  -3.505  -6.521  1.00  0.00           H   new
ATOM      0  HA  ASN A  11      -1.808  -4.801  -7.113  1.00  0.00           H   new
ATOM      0  HB2 ASN A  11      -3.727  -3.723  -9.123  1.00  0.00           H   new
ATOM      0  HB3 ASN A  11      -2.180  -2.902  -9.187  1.00  0.00           H   new
ATOM      0 HD21 ASN A  11      -2.048  -6.096 -11.304  1.00  0.00           H   new
ATOM      0 HD22 ASN A  11      -3.150  -4.716 -11.269  1.00  0.00           H   new
ATOM    186  N   SER A  12      -2.779  -1.732  -6.523  1.00  0.00           N
ATOM    187  CA  SER A  12      -2.275  -0.473  -5.898  1.00  0.00           C
ATOM    188  C   SER A  12      -3.297   0.668  -6.006  1.00  0.00           C
ATOM    189  O   SER A  12      -3.205   1.656  -5.305  1.00  0.00           O
ATOM    190  CB  SER A  12      -1.019  -0.116  -6.690  1.00  0.00           C
ATOM    191  OG  SER A  12      -0.761   1.277  -6.563  1.00  0.00           O
ATOM      0  H   SER A  12      -3.769  -1.732  -6.768  1.00  0.00           H   new
ATOM      0  HA  SER A  12      -2.084  -0.614  -4.834  1.00  0.00           H   new
ATOM      0  HB2 SER A  12      -0.168  -0.690  -6.322  1.00  0.00           H   new
ATOM      0  HB3 SER A  12      -1.151  -0.379  -7.740  1.00  0.00           H   new
ATOM      0  HG  SER A  12       0.046   1.508  -7.069  1.00  0.00           H   new
ATOM    197  N   ASN A  13      -4.257   0.558  -6.880  1.00  0.00           N
ATOM    198  CA  ASN A  13      -5.258   1.656  -7.024  1.00  0.00           C
ATOM    199  C   ASN A  13      -6.009   1.879  -5.708  1.00  0.00           C
ATOM    200  O   ASN A  13      -6.714   2.855  -5.547  1.00  0.00           O
ATOM    201  CB  ASN A  13      -6.215   1.179  -8.114  1.00  0.00           C
ATOM    202  CG  ASN A  13      -6.064   2.071  -9.348  1.00  0.00           C
ATOM    203  OD1 ASN A  13      -7.036   2.598  -9.853  1.00  0.00           O
ATOM    204  ND2 ASN A  13      -4.879   2.261  -9.858  1.00  0.00           N
ATOM      0  H   ASN A  13      -4.394  -0.241  -7.500  1.00  0.00           H   new
ATOM      0  HA  ASN A  13      -4.788   2.606  -7.279  1.00  0.00           H   new
ATOM      0  HB2 ASN A  13      -6.001   0.142  -8.373  1.00  0.00           H   new
ATOM      0  HB3 ASN A  13      -7.242   1.212  -7.751  1.00  0.00           H   new
ATOM      0 HD21 ASN A  13      -4.767   2.852 -10.682  1.00  0.00           H   new
ATOM      0 HD22 ASN A  13      -4.064   1.818  -9.433  1.00  0.00           H   new
ATOM    211  N   ASP A  14      -5.874   0.982  -4.771  1.00  0.00           N
ATOM    212  CA  ASP A  14      -6.596   1.153  -3.476  1.00  0.00           C
ATOM    213  C   ASP A  14      -5.622   1.504  -2.344  1.00  0.00           C
ATOM    214  O   ASP A  14      -6.030   1.822  -1.244  1.00  0.00           O
ATOM    215  CB  ASP A  14      -7.257  -0.198  -3.210  1.00  0.00           C
ATOM    216  CG  ASP A  14      -8.653   0.025  -2.625  1.00  0.00           C
ATOM    217  OD1 ASP A  14      -9.042   1.174  -2.494  1.00  0.00           O
ATOM    218  OD2 ASP A  14      -9.307  -0.956  -2.317  1.00  0.00           O
ATOM      0  H   ASP A  14      -5.299   0.143  -4.843  1.00  0.00           H   new
ATOM      0  HA  ASP A  14      -7.320   1.966  -3.523  1.00  0.00           H   new
ATOM      0  HB2 ASP A  14      -7.326  -0.770  -4.135  1.00  0.00           H   new
ATOM      0  HB3 ASP A  14      -6.650  -0.782  -2.518  1.00  0.00           H   new
ATOM    223  N   CYS A  15      -4.342   1.443  -2.593  1.00  0.00           N
ATOM    224  CA  CYS A  15      -3.362   1.766  -1.520  1.00  0.00           C
ATOM    225  C   CYS A  15      -3.211   3.279  -1.355  1.00  0.00           C
ATOM    226  O   CYS A  15      -3.595   4.054  -2.208  1.00  0.00           O
ATOM    227  CB  CYS A  15      -2.053   1.144  -1.999  1.00  0.00           C
ATOM    228  SG  CYS A  15      -2.283  -0.639  -2.173  1.00  0.00           S
ATOM      0  H   CYS A  15      -3.934   1.184  -3.491  1.00  0.00           H   new
ATOM      0  HA  CYS A  15      -3.674   1.384  -0.548  1.00  0.00           H   new
ATOM      0  HB2 CYS A  15      -1.755   1.581  -2.952  1.00  0.00           H   new
ATOM      0  HB3 CYS A  15      -1.254   1.354  -1.288  1.00  0.00           H   new
ATOM    233  N   CYS A  16      -2.656   3.698  -0.252  1.00  0.00           N
ATOM    234  CA  CYS A  16      -2.473   5.156  -0.007  1.00  0.00           C
ATOM    235  C   CYS A  16      -1.235   5.673  -0.733  1.00  0.00           C
ATOM    236  O   CYS A  16      -0.480   4.920  -1.314  1.00  0.00           O
ATOM    237  CB  CYS A  16      -2.271   5.270   1.501  1.00  0.00           C
ATOM    238  SG  CYS A  16      -3.874   5.201   2.333  1.00  0.00           S
ATOM      0  H   CYS A  16      -2.319   3.090   0.494  1.00  0.00           H   new
ATOM      0  HA  CYS A  16      -3.321   5.739  -0.366  1.00  0.00           H   new
ATOM      0  HB2 CYS A  16      -1.631   4.462   1.855  1.00  0.00           H   new
ATOM      0  HB3 CYS A  16      -1.765   6.205   1.741  1.00  0.00           H   new
ATOM    243  N   LYS A  17      -1.015   6.957  -0.691  1.00  0.00           N
ATOM    244  CA  LYS A  17       0.177   7.528  -1.362  1.00  0.00           C
ATOM    245  C   LYS A  17       1.440   6.836  -0.843  1.00  0.00           C
ATOM    246  O   LYS A  17       1.484   6.366   0.277  1.00  0.00           O
ATOM    247  CB  LYS A  17       0.174   9.008  -0.978  1.00  0.00           C
ATOM    248  CG  LYS A  17       1.257   9.745  -1.766  1.00  0.00           C
ATOM    249  CD  LYS A  17       0.604  10.643  -2.820  1.00  0.00           C
ATOM    250  CE  LYS A  17      -0.422  11.561  -2.151  1.00  0.00           C
ATOM    251  NZ  LYS A  17      -0.122  12.921  -2.680  1.00  0.00           N
ATOM      0  H   LYS A  17      -1.613   7.635  -0.219  1.00  0.00           H   new
ATOM      0  HA  LYS A  17       0.157   7.392  -2.443  1.00  0.00           H   new
ATOM      0  HB2 LYS A  17      -0.802   9.446  -1.186  1.00  0.00           H   new
ATOM      0  HB3 LYS A  17       0.351   9.117   0.092  1.00  0.00           H   new
ATOM      0  HG2 LYS A  17       1.868  10.344  -1.091  1.00  0.00           H   new
ATOM      0  HG3 LYS A  17       1.923   9.028  -2.246  1.00  0.00           H   new
ATOM      0  HD2 LYS A  17       1.364  11.239  -3.326  1.00  0.00           H   new
ATOM      0  HD3 LYS A  17       0.118  10.033  -3.581  1.00  0.00           H   new
ATOM      0  HE2 LYS A  17      -1.441  11.258  -2.394  1.00  0.00           H   new
ATOM      0  HE3 LYS A  17      -0.331  11.530  -1.065  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  17      -0.785  13.608  -2.267  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  17       0.852  13.185  -2.428  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  17      -0.223  12.921  -3.715  1.00  0.00           H   new
ATOM    265  N   ASP A  18       2.460   6.762  -1.649  1.00  0.00           N
ATOM    266  CA  ASP A  18       3.717   6.095  -1.203  1.00  0.00           C
ATOM    267  C   ASP A  18       3.426   4.655  -0.776  1.00  0.00           C
ATOM    268  O   ASP A  18       4.210   4.028  -0.092  1.00  0.00           O
ATOM    269  CB  ASP A  18       4.210   6.920  -0.014  1.00  0.00           C
ATOM    270  CG  ASP A  18       4.866   8.206  -0.519  1.00  0.00           C
ATOM    271  OD1 ASP A  18       5.655   8.120  -1.445  1.00  0.00           O
ATOM    272  OD2 ASP A  18       4.568   9.254   0.029  1.00  0.00           O
ATOM      0  H   ASP A  18       2.480   7.134  -2.598  1.00  0.00           H   new
ATOM      0  HA  ASP A  18       4.462   6.047  -1.997  1.00  0.00           H   new
ATOM      0  HB2 ASP A  18       3.376   7.160   0.646  1.00  0.00           H   new
ATOM      0  HB3 ASP A  18       4.924   6.341   0.572  1.00  0.00           H   new
ATOM    277  N   LEU A  19       2.301   4.126  -1.176  1.00  0.00           N
ATOM    278  CA  LEU A  19       1.958   2.725  -0.794  1.00  0.00           C
ATOM    279  C   LEU A  19       1.522   1.939  -2.033  1.00  0.00           C
ATOM    280  O   LEU A  19       0.901   2.473  -2.931  1.00  0.00           O
ATOM    281  CB  LEU A  19       0.801   2.858   0.199  1.00  0.00           C
ATOM    282  CG  LEU A  19       0.766   1.640   1.127  1.00  0.00           C
ATOM    283  CD1 LEU A  19       2.132   1.459   1.799  1.00  0.00           C
ATOM    284  CD2 LEU A  19      -0.294   1.858   2.207  1.00  0.00           C
ATOM      0  H   LEU A  19       1.605   4.602  -1.750  1.00  0.00           H   new
ATOM      0  HA  LEU A  19       2.803   2.191  -0.360  1.00  0.00           H   new
ATOM      0  HB2 LEU A  19       0.917   3.769   0.786  1.00  0.00           H   new
ATOM      0  HB3 LEU A  19      -0.143   2.943  -0.339  1.00  0.00           H   new
ATOM      0  HG  LEU A  19       0.527   0.751   0.543  1.00  0.00           H   new
ATOM      0 HD11 LEU A  19       2.101   0.591   2.458  1.00  0.00           H   new
ATOM      0 HD12 LEU A  19       2.896   1.308   1.036  1.00  0.00           H   new
ATOM      0 HD13 LEU A  19       2.372   2.349   2.382  1.00  0.00           H   new
ATOM      0 HD21 LEU A  19      -0.322   0.993   2.869  1.00  0.00           H   new
ATOM      0 HD22 LEU A  19      -0.047   2.749   2.784  1.00  0.00           H   new
ATOM      0 HD23 LEU A  19      -1.270   1.988   1.738  1.00  0.00           H   new
ATOM    296  N   VAL A  20       1.845   0.676  -2.095  1.00  0.00           N
ATOM    297  CA  VAL A  20       1.452  -0.135  -3.284  1.00  0.00           C
ATOM    298  C   VAL A  20       1.058  -1.552  -2.860  1.00  0.00           C
ATOM    299  O   VAL A  20       1.696  -2.159  -2.027  1.00  0.00           O
ATOM    300  CB  VAL A  20       2.700  -0.174  -4.161  1.00  0.00           C
ATOM    301  CG1 VAL A  20       2.996   1.231  -4.691  1.00  0.00           C
ATOM    302  CG2 VAL A  20       3.886  -0.666  -3.328  1.00  0.00           C
ATOM      0  H   VAL A  20       2.363   0.171  -1.376  1.00  0.00           H   new
ATOM      0  HA  VAL A  20       0.593   0.290  -3.804  1.00  0.00           H   new
ATOM      0  HB  VAL A  20       2.537  -0.850  -5.000  1.00  0.00           H   new
ATOM      0 HG11 VAL A  20       3.888   1.203  -5.317  1.00  0.00           H   new
ATOM      0 HG12 VAL A  20       2.149   1.583  -5.280  1.00  0.00           H   new
ATOM      0 HG13 VAL A  20       3.162   1.908  -3.853  1.00  0.00           H   new
ATOM      0 HG21 VAL A  20       4.780  -0.696  -3.950  1.00  0.00           H   new
ATOM      0 HG22 VAL A  20       4.049   0.013  -2.491  1.00  0.00           H   new
ATOM      0 HG23 VAL A  20       3.675  -1.666  -2.949  1.00  0.00           H   new
ATOM    312  N   CYS A  21       0.012  -2.081  -3.433  1.00  0.00           N
ATOM    313  CA  CYS A  21      -0.424  -3.460  -3.066  1.00  0.00           C
ATOM    314  C   CYS A  21       0.672  -4.474  -3.404  1.00  0.00           C
ATOM    315  O   CYS A  21       1.514  -4.232  -4.246  1.00  0.00           O
ATOM    316  CB  CYS A  21      -1.671  -3.713  -3.909  1.00  0.00           C
ATOM    317  SG  CYS A  21      -2.686  -4.967  -3.103  1.00  0.00           S
ATOM      0  H   CYS A  21      -0.560  -1.619  -4.140  1.00  0.00           H   new
ATOM      0  HA  CYS A  21      -0.624  -3.561  -1.999  1.00  0.00           H   new
ATOM      0  HB2 CYS A  21      -2.238  -2.790  -4.027  1.00  0.00           H   new
ATOM      0  HB3 CYS A  21      -1.388  -4.044  -4.908  1.00  0.00           H   new
ATOM    322  N   SER A  22       0.673  -5.608  -2.753  1.00  0.00           N
ATOM    323  CA  SER A  22       1.721  -6.625  -3.046  1.00  0.00           C
ATOM    324  C   SER A  22       1.165  -8.039  -2.897  1.00  0.00           C
ATOM    325  O   SER A  22       0.647  -8.406  -1.860  1.00  0.00           O
ATOM    326  CB  SER A  22       2.819  -6.366  -2.017  1.00  0.00           C
ATOM    327  OG  SER A  22       4.025  -6.033  -2.691  1.00  0.00           O
ATOM      0  H   SER A  22      -0.003  -5.871  -2.036  1.00  0.00           H   new
ATOM      0  HA  SER A  22       2.089  -6.547  -4.069  1.00  0.00           H   new
ATOM      0  HB2 SER A  22       2.525  -5.555  -1.351  1.00  0.00           H   new
ATOM      0  HB3 SER A  22       2.968  -7.250  -1.397  1.00  0.00           H   new
ATOM      0  HG  SER A  22       4.669  -6.764  -2.589  1.00  0.00           H   new
ATOM    333  N   SER A  23       1.279  -8.833  -3.931  1.00  0.00           N
ATOM    334  CA  SER A  23       0.773 -10.228  -3.866  1.00  0.00           C
ATOM    335  C   SER A  23       1.538 -11.002  -2.794  1.00  0.00           C
ATOM    336  O   SER A  23       1.046 -11.961  -2.234  1.00  0.00           O
ATOM    337  CB  SER A  23       1.044 -10.816  -5.250  1.00  0.00           C
ATOM    338  OG  SER A  23       1.155 -12.230  -5.146  1.00  0.00           O
ATOM      0  H   SER A  23       1.704  -8.569  -4.820  1.00  0.00           H   new
ATOM      0  HA  SER A  23      -0.285 -10.277  -3.609  1.00  0.00           H   new
ATOM      0  HB2 SER A  23       0.237 -10.552  -5.934  1.00  0.00           H   new
ATOM      0  HB3 SER A  23       1.962 -10.397  -5.663  1.00  0.00           H   new
ATOM      0  HG  SER A  23       1.327 -12.611  -6.032  1.00  0.00           H   new
ATOM    344  N   ARG A  24       2.737 -10.580  -2.494  1.00  0.00           N
ATOM    345  CA  ARG A  24       3.530 -11.280  -1.446  1.00  0.00           C
ATOM    346  C   ARG A  24       3.024 -10.836  -0.079  1.00  0.00           C
ATOM    347  O   ARG A  24       2.895 -11.621   0.839  1.00  0.00           O
ATOM    348  CB  ARG A  24       4.973 -10.825  -1.666  1.00  0.00           C
ATOM    349  CG  ARG A  24       5.932 -11.917  -1.190  1.00  0.00           C
ATOM    350  CD  ARG A  24       7.353 -11.354  -1.125  1.00  0.00           C
ATOM    351  NE  ARG A  24       7.976 -12.021   0.051  1.00  0.00           N
ATOM    352  CZ  ARG A  24       8.784 -13.030  -0.123  1.00  0.00           C
ATOM    353  NH1 ARG A  24       8.306 -14.205  -0.427  1.00  0.00           N
ATOM    354  NH2 ARG A  24      10.073 -12.865   0.003  1.00  0.00           N
ATOM      0  H   ARG A  24       3.200  -9.782  -2.929  1.00  0.00           H   new
ATOM      0  HA  ARG A  24       3.449 -12.366  -1.497  1.00  0.00           H   new
ATOM      0  HB2 ARG A  24       5.142 -10.614  -2.722  1.00  0.00           H   new
ATOM      0  HB3 ARG A  24       5.160  -9.899  -1.122  1.00  0.00           H   new
ATOM      0  HG2 ARG A  24       5.628 -12.280  -0.208  1.00  0.00           H   new
ATOM      0  HG3 ARG A  24       5.897 -12.768  -1.870  1.00  0.00           H   new
ATOM      0  HD2 ARG A  24       7.905 -11.569  -2.040  1.00  0.00           H   new
ATOM      0  HD3 ARG A  24       7.344 -10.271  -1.006  1.00  0.00           H   new
ATOM      0  HE  ARG A  24       7.771 -11.689   0.993  1.00  0.00           H   new
ATOM      0 HH11 ARG A  24       7.300 -14.335  -0.529  1.00  0.00           H   new
ATOM      0 HH12 ARG A  24       8.939 -14.993  -0.563  1.00  0.00           H   new
ATOM      0 HH21 ARG A  24      10.449 -11.946   0.238  1.00  0.00           H   new
ATOM      0 HH22 ARG A  24      10.704 -13.655  -0.133  1.00  0.00           H   new
ATOM    368  N   TRP A  25       2.706  -9.580   0.045  1.00  0.00           N
ATOM    369  CA  TRP A  25       2.168  -9.070   1.332  1.00  0.00           C
ATOM    370  C   TRP A  25       0.643  -9.010   1.251  1.00  0.00           C
ATOM    371  O   TRP A  25      -0.019  -8.506   2.130  1.00  0.00           O
ATOM    372  CB  TRP A  25       2.763  -7.685   1.497  1.00  0.00           C
ATOM    373  CG  TRP A  25       4.250  -7.771   1.365  1.00  0.00           C
ATOM    374  CD1 TRP A  25       4.973  -7.318   0.313  1.00  0.00           C
ATOM    375  CD2 TRP A  25       5.209  -8.340   2.302  1.00  0.00           C
ATOM    376  NE1 TRP A  25       6.311  -7.578   0.549  1.00  0.00           N
ATOM    377  CE2 TRP A  25       6.504  -8.203   1.756  1.00  0.00           C
ATOM    378  CE3 TRP A  25       5.083  -8.959   3.560  1.00  0.00           C
ATOM    379  CZ2 TRP A  25       7.631  -8.658   2.422  1.00  0.00           C
ATOM    380  CZ3 TRP A  25       6.222  -9.419   4.239  1.00  0.00           C
ATOM    381  CH2 TRP A  25       7.495  -9.269   3.671  1.00  0.00           C
ATOM      0  H   TRP A  25       2.796  -8.882  -0.693  1.00  0.00           H   new
ATOM      0  HA  TRP A  25       2.422  -9.707   2.179  1.00  0.00           H   new
ATOM      0  HB2 TRP A  25       2.357  -7.010   0.744  1.00  0.00           H   new
ATOM      0  HB3 TRP A  25       2.495  -7.275   2.471  1.00  0.00           H   new
ATOM      0  HD1 TRP A  25       4.571  -6.834  -0.565  1.00  0.00           H   new
ATOM      0  HE1 TRP A  25       7.063  -7.335  -0.096  1.00  0.00           H   new
ATOM      0  HE3 TRP A  25       4.106  -9.080   4.004  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  25       8.609  -8.541   1.978  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  25       6.117  -9.891   5.205  1.00  0.00           H   new
ATOM      0  HH2 TRP A  25       8.368  -9.625   4.198  1.00  0.00           H   new
ATOM    392  N   LYS A  26       0.092  -9.539   0.187  1.00  0.00           N
ATOM    393  CA  LYS A  26      -1.386  -9.563  -0.003  1.00  0.00           C
ATOM    394  C   LYS A  26      -2.024  -8.277   0.498  1.00  0.00           C
ATOM    395  O   LYS A  26      -3.135  -8.269   0.990  1.00  0.00           O
ATOM    396  CB  LYS A  26      -1.924 -10.791   0.761  1.00  0.00           C
ATOM    397  CG  LYS A  26      -1.127 -11.060   2.046  1.00  0.00           C
ATOM    398  CD  LYS A  26      -1.625 -10.145   3.162  1.00  0.00           C
ATOM    399  CE  LYS A  26      -2.757 -10.840   3.922  1.00  0.00           C
ATOM    400  NZ  LYS A  26      -3.943 -10.732   3.028  1.00  0.00           N
ATOM      0  H   LYS A  26       0.620  -9.965  -0.575  1.00  0.00           H   new
ATOM      0  HA  LYS A  26      -1.634  -9.636  -1.062  1.00  0.00           H   new
ATOM      0  HB2 LYS A  26      -2.973 -10.632   1.011  1.00  0.00           H   new
ATOM      0  HB3 LYS A  26      -1.879 -11.668   0.116  1.00  0.00           H   new
ATOM      0  HG2 LYS A  26      -1.237 -12.103   2.342  1.00  0.00           H   new
ATOM      0  HG3 LYS A  26      -0.065 -10.889   1.869  1.00  0.00           H   new
ATOM      0  HD2 LYS A  26      -0.808  -9.906   3.843  1.00  0.00           H   new
ATOM      0  HD3 LYS A  26      -1.978  -9.202   2.744  1.00  0.00           H   new
ATOM      0  HE2 LYS A  26      -2.512 -11.882   4.129  1.00  0.00           H   new
ATOM      0  HE3 LYS A  26      -2.941 -10.359   4.883  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  26      -4.810 -10.713   3.602  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  26      -3.878  -9.857   2.470  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  26      -3.970 -11.550   2.387  1.00  0.00           H   new
ATOM    414  N   TRP A  27      -1.348  -7.182   0.333  1.00  0.00           N
ATOM    415  CA  TRP A  27      -1.943  -5.880   0.756  1.00  0.00           C
ATOM    416  C   TRP A  27      -1.012  -4.708   0.450  1.00  0.00           C
ATOM    417  O   TRP A  27       0.114  -4.881   0.026  1.00  0.00           O
ATOM    418  CB  TRP A  27      -2.235  -5.984   2.261  1.00  0.00           C
ATOM    419  CG  TRP A  27      -1.005  -6.334   3.045  1.00  0.00           C
ATOM    420  CD1 TRP A  27       0.238  -5.843   2.838  1.00  0.00           C
ATOM    421  CD2 TRP A  27      -0.895  -7.226   4.191  1.00  0.00           C
ATOM    422  NE1 TRP A  27       1.095  -6.397   3.770  1.00  0.00           N
ATOM    423  CE2 TRP A  27       0.447  -7.250   4.620  1.00  0.00           C
ATOM    424  CE3 TRP A  27      -1.820  -8.016   4.886  1.00  0.00           C
ATOM    425  CZ2 TRP A  27       0.865  -8.022   5.695  1.00  0.00           C
ATOM    426  CZ3 TRP A  27      -1.407  -8.802   5.976  1.00  0.00           C
ATOM    427  CH2 TRP A  27      -0.064  -8.804   6.380  1.00  0.00           C
ATOM      0  H   TRP A  27      -0.414  -7.125  -0.073  1.00  0.00           H   new
ATOM      0  HA  TRP A  27      -2.860  -5.686   0.200  1.00  0.00           H   new
ATOM      0  HB2 TRP A  27      -2.637  -5.036   2.619  1.00  0.00           H   new
ATOM      0  HB3 TRP A  27      -3.002  -6.740   2.431  1.00  0.00           H   new
ATOM      0  HD1 TRP A  27       0.515  -5.135   2.071  1.00  0.00           H   new
ATOM      0  HE1 TRP A  27       2.093  -6.194   3.818  1.00  0.00           H   new
ATOM      0  HE3 TRP A  27      -2.856  -8.021   4.583  1.00  0.00           H   new
ATOM      0  HZ2 TRP A  27       1.901  -8.017   5.998  1.00  0.00           H   new
ATOM      0  HZ3 TRP A  27      -2.128  -9.408   6.505  1.00  0.00           H   new
ATOM      0  HH2 TRP A  27       0.249  -9.409   7.218  1.00  0.00           H   new
ATOM    438  N   CYS A  28      -1.489  -3.509   0.656  1.00  0.00           N
ATOM    439  CA  CYS A  28      -0.663  -2.304   0.375  1.00  0.00           C
ATOM    440  C   CYS A  28       0.585  -2.282   1.257  1.00  0.00           C
ATOM    441  O   CYS A  28       0.503  -2.152   2.462  1.00  0.00           O
ATOM    442  CB  CYS A  28      -1.582  -1.131   0.708  1.00  0.00           C
ATOM    443  SG  CYS A  28      -3.024  -1.186  -0.378  1.00  0.00           S
ATOM      0  H   CYS A  28      -2.425  -3.314   1.011  1.00  0.00           H   new
ATOM      0  HA  CYS A  28      -0.307  -2.275  -0.655  1.00  0.00           H   new
ATOM      0  HB2 CYS A  28      -1.894  -1.182   1.751  1.00  0.00           H   new
ATOM      0  HB3 CYS A  28      -1.050  -0.188   0.580  1.00  0.00           H   new
ATOM    448  N   VAL A  29       1.738  -2.399   0.663  1.00  0.00           N
ATOM    449  CA  VAL A  29       2.991  -2.376   1.463  1.00  0.00           C
ATOM    450  C   VAL A  29       3.746  -1.079   1.215  1.00  0.00           C
ATOM    451  O   VAL A  29       3.701  -0.526   0.132  1.00  0.00           O
ATOM    452  CB  VAL A  29       3.813  -3.552   0.958  1.00  0.00           C
ATOM    453  CG1 VAL A  29       3.121  -4.853   1.345  1.00  0.00           C
ATOM    454  CG2 VAL A  29       3.933  -3.472  -0.564  1.00  0.00           C
ATOM      0  H   VAL A  29       1.867  -2.510  -0.343  1.00  0.00           H   new
ATOM      0  HA  VAL A  29       2.790  -2.442   2.532  1.00  0.00           H   new
ATOM      0  HB  VAL A  29       4.808  -3.521   1.403  1.00  0.00           H   new
ATOM      0 HG11 VAL A  29       3.707  -5.698   0.985  1.00  0.00           H   new
ATOM      0 HG12 VAL A  29       3.032  -4.909   2.430  1.00  0.00           H   new
ATOM      0 HG13 VAL A  29       2.127  -4.884   0.898  1.00  0.00           H   new
ATOM      0 HG21 VAL A  29       4.522  -4.314  -0.927  1.00  0.00           H   new
ATOM      0 HG22 VAL A  29       2.939  -3.505  -1.010  1.00  0.00           H   new
ATOM      0 HG23 VAL A  29       4.424  -2.539  -0.842  1.00  0.00           H   new
ATOM    464  N   LEU A  30       4.445  -0.596   2.203  1.00  0.00           N
ATOM    465  CA  LEU A  30       5.213   0.664   2.023  1.00  0.00           C
ATOM    466  C   LEU A  30       5.880   0.667   0.647  1.00  0.00           C
ATOM    467  O   LEU A  30       6.505  -0.296   0.250  1.00  0.00           O
ATOM    468  CB  LEU A  30       6.262   0.657   3.137  1.00  0.00           C
ATOM    469  CG  LEU A  30       5.563   0.726   4.497  1.00  0.00           C
ATOM    470  CD1 LEU A  30       6.592   0.515   5.610  1.00  0.00           C
ATOM    471  CD2 LEU A  30       4.911   2.100   4.665  1.00  0.00           C
ATOM      0  H   LEU A  30       4.517  -1.020   3.128  1.00  0.00           H   new
ATOM      0  HA  LEU A  30       4.582   1.551   2.076  1.00  0.00           H   new
ATOM      0  HB2 LEU A  30       6.869  -0.246   3.074  1.00  0.00           H   new
ATOM      0  HB3 LEU A  30       6.938   1.504   3.020  1.00  0.00           H   new
ATOM      0  HG  LEU A  30       4.800  -0.050   4.553  1.00  0.00           H   new
ATOM      0 HD11 LEU A  30       6.095   0.564   6.579  1.00  0.00           H   new
ATOM      0 HD12 LEU A  30       7.061  -0.462   5.492  1.00  0.00           H   new
ATOM      0 HD13 LEU A  30       7.354   1.292   5.553  1.00  0.00           H   new
ATOM      0 HD21 LEU A  30       4.413   2.150   5.633  1.00  0.00           H   new
ATOM      0 HD22 LEU A  30       5.676   2.875   4.610  1.00  0.00           H   new
ATOM      0 HD23 LEU A  30       4.179   2.255   3.872  1.00  0.00           H   new
ATOM    483  N   ALA A  31       5.739   1.730  -0.095  1.00  0.00           N
ATOM    484  CA  ALA A  31       6.357   1.774  -1.455  1.00  0.00           C
ATOM    485  C   ALA A  31       7.856   2.066  -1.372  1.00  0.00           C
ATOM    486  O   ALA A  31       8.388   2.846  -2.133  1.00  0.00           O
ATOM    487  CB  ALA A  31       5.629   2.898  -2.191  1.00  0.00           C
ATOM      0  H   ALA A  31       5.225   2.568   0.178  1.00  0.00           H   new
ATOM      0  HA  ALA A  31       6.261   0.818  -1.969  1.00  0.00           H   new
ATOM      0  HB1 ALA A  31       6.029   2.991  -3.200  1.00  0.00           H   new
ATOM      0  HB2 ALA A  31       4.564   2.669  -2.243  1.00  0.00           H   new
ATOM      0  HB3 ALA A  31       5.773   3.836  -1.656  1.00  0.00           H   new
ATOM    493  N   SER A  32       8.537   1.424  -0.467  1.00  0.00           N
ATOM    494  CA  SER A  32      10.011   1.635  -0.333  1.00  0.00           C
ATOM    495  C   SER A  32      10.341   3.117  -0.112  1.00  0.00           C
ATOM    496  O   SER A  32       9.980   3.960  -0.907  1.00  0.00           O
ATOM    497  CB  SER A  32      10.592   1.157  -1.662  1.00  0.00           C
ATOM    498  OG  SER A  32      11.708   1.969  -2.004  1.00  0.00           O
ATOM      0  H   SER A  32       8.137   0.757   0.192  1.00  0.00           H   new
ATOM      0  HA  SER A  32      10.420   1.098   0.523  1.00  0.00           H   new
ATOM      0  HB2 SER A  32      10.897   0.113  -1.585  1.00  0.00           H   new
ATOM      0  HB3 SER A  32       9.835   1.211  -2.444  1.00  0.00           H   new
ATOM      0  HG  SER A  32      12.085   1.665  -2.856  1.00  0.00           H   new
ATOM    504  N   PRO A  33      11.033   3.384   0.965  1.00  0.00           N
ATOM    505  CA  PRO A  33      11.427   4.776   1.285  1.00  0.00           C
ATOM    506  C   PRO A  33      12.590   5.222   0.390  1.00  0.00           C
ATOM    507  O   PRO A  33      13.631   5.628   0.867  1.00  0.00           O
ATOM    508  CB  PRO A  33      11.863   4.698   2.744  1.00  0.00           C
ATOM    509  CG  PRO A  33      12.275   3.275   2.957  1.00  0.00           C
ATOM    510  CD  PRO A  33      11.505   2.428   1.973  1.00  0.00           C
ATOM      0  HA  PRO A  33      10.626   5.497   1.123  1.00  0.00           H   new
ATOM      0  HB2 PRO A  33      12.688   5.381   2.945  1.00  0.00           H   new
ATOM      0  HB3 PRO A  33      11.049   4.976   3.413  1.00  0.00           H   new
ATOM      0  HG2 PRO A  33      13.348   3.160   2.805  1.00  0.00           H   new
ATOM      0  HG3 PRO A  33      12.063   2.963   3.980  1.00  0.00           H   new
ATOM      0  HD2 PRO A  33      12.138   1.660   1.528  1.00  0.00           H   new
ATOM      0  HD3 PRO A  33      10.673   1.915   2.455  1.00  0.00           H   new
ATOM    518  N   PHE A  34      12.419   5.148  -0.902  1.00  0.00           N
ATOM    519  CA  PHE A  34      13.513   5.569  -1.828  1.00  0.00           C
ATOM    520  C   PHE A  34      14.802   4.807  -1.512  1.00  0.00           C
ATOM    521  O   PHE A  34      15.824   5.151  -2.082  1.00  0.00           O
ATOM    522  CB  PHE A  34      13.697   7.065  -1.568  1.00  0.00           C
ATOM    523  CG  PHE A  34      12.555   7.828  -2.193  1.00  0.00           C
ATOM    524  CD1 PHE A  34      11.351   7.976  -1.497  1.00  0.00           C
ATOM    525  CD2 PHE A  34      12.701   8.387  -3.469  1.00  0.00           C
ATOM    526  CE1 PHE A  34      10.291   8.685  -2.075  1.00  0.00           C
ATOM    527  CE2 PHE A  34      11.641   9.095  -4.048  1.00  0.00           C
ATOM    528  CZ  PHE A  34      10.436   9.244  -3.350  1.00  0.00           C
ATOM    529  OXT PHE A  34      14.745   3.893  -0.707  1.00  0.00           O
ATOM      0  H   PHE A  34      11.570   4.814  -1.358  1.00  0.00           H   new
ATOM      0  HA  PHE A  34      13.272   5.361  -2.871  1.00  0.00           H   new
ATOM      0  HB2 PHE A  34      13.733   7.257  -0.496  1.00  0.00           H   new
ATOM      0  HB3 PHE A  34      14.646   7.403  -1.984  1.00  0.00           H   new
ATOM      0  HD1 PHE A  34      11.239   7.543  -0.514  1.00  0.00           H   new
ATOM      0  HD2 PHE A  34      13.631   8.272  -4.006  1.00  0.00           H   new
ATOM      0  HE1 PHE A  34       9.362   8.801  -1.537  1.00  0.00           H   new
ATOM      0  HE2 PHE A  34      11.752   9.526  -5.032  1.00  0.00           H   new
ATOM      0  HZ  PHE A  34       9.618   9.791  -3.796  1.00  0.00           H   new
TER     539      PHE A  34