USER  MOD reduce.3.24.130724 H: found=0, std=0, add=226, rem=0, adj=13
USER  MOD reduce.3.24.130724 removed 227 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  24 THR OG1 :   rot  -53:sc=    1.72
USER  MOD Set 1.2: A  26 GLN     :      amide:sc=  -0.652  K(o=1.1,f=-0.15)
USER  MOD Set 2.1: A   2 GLN     :      amide:sc=  0.0827  K(o=0.47,f=-0.79)
USER  MOD Set 2.2: A  13 TYR OH  :   rot   68:sc=   0.386
USER  MOD Single : A   3 SER OG  :   rot  180:sc=  0.0277
USER  MOD Single : A   4 HIS     :     no HD1:sc=  -0.226  X(o=-0.23,f=-0.36)
USER  MOD Single : A   5 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A   7 GLN     :FLIP  amide:sc=  -0.225  F(o=-1.2!,f=-0.23)
USER  MOD Single : A  14 SER OG  :   rot  180:sc= 0.00944
USER  MOD Single : A  17 THR OG1 :   rot  -91:sc=  0.0459
USER  MOD Single : A  21 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  23 THR OG1 :   rot  -55:sc=  -0.198
USER  MOD Single : A  29 ASN     :FLIP  amide:sc=-0.00358  F(o=-1.1,f=-0.0036)
USER  MOD Single : A  31 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  32 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  33 SER OG  :   rot  169:sc=   -2.25
USER  MOD Single : A  34 GLN     :      amide:sc=   0.585  K(o=0.59,f=-0.79)
USER  MOD -----------------------------------------------------------------
ATOM     17  N   GLN A   2       0.536  -3.664  -6.549  1.00  0.00           N
ATOM     18  CA  GLN A   2       0.518  -4.340  -5.271  1.00  0.00           C
ATOM     19  C   GLN A   2      -0.823  -5.053  -5.057  1.00  0.00           C
ATOM     20  O   GLN A   2      -1.898  -4.475  -5.274  1.00  0.00           O
ATOM     21  CB  GLN A   2       0.804  -3.332  -4.157  1.00  0.00           C
ATOM     22  CG  GLN A   2       1.000  -3.924  -2.769  1.00  0.00           C
ATOM     23  CD  GLN A   2       2.141  -4.926  -2.694  1.00  0.00           C
ATOM     24  OE1 GLN A   2       3.285  -4.570  -2.482  1.00  0.00           O
ATOM     25  NE2 GLN A   2       1.818  -6.190  -2.776  1.00  0.00           N
ATOM      0  HA  GLN A   2       1.296  -5.103  -5.253  1.00  0.00           H   new
ATOM      0  HB2 GLN A   2       1.699  -2.769  -4.422  1.00  0.00           H   new
ATOM      0  HB3 GLN A   2      -0.020  -2.620  -4.116  1.00  0.00           H   new
ATOM      0  HG2 GLN A   2       1.189  -3.117  -2.061  1.00  0.00           H   new
ATOM      0  HG3 GLN A   2       0.077  -4.412  -2.457  1.00  0.00           H   new
ATOM      0 HE21 GLN A   2       0.850  -6.459  -2.955  1.00  0.00           H   new
ATOM      0 HE22 GLN A   2       2.534  -6.908  -2.661  1.00  0.00           H   new
ATOM     34  N   SER A   3      -0.738  -6.316  -4.686  1.00  0.00           N
ATOM     35  CA  SER A   3      -1.882  -7.173  -4.432  1.00  0.00           C
ATOM     36  C   SER A   3      -2.722  -6.677  -3.231  1.00  0.00           C
ATOM     37  O   SER A   3      -2.261  -5.845  -2.421  1.00  0.00           O
ATOM     38  CB  SER A   3      -1.342  -8.556  -4.119  1.00  0.00           C
ATOM     39  OG  SER A   3      -0.282  -8.884  -5.013  1.00  0.00           O
ATOM      0  H   SER A   3       0.155  -6.789  -4.549  1.00  0.00           H   new
ATOM      0  HA  SER A   3      -2.533  -7.172  -5.306  1.00  0.00           H   new
ATOM      0  HB2 SER A   3      -0.984  -8.590  -3.090  1.00  0.00           H   new
ATOM      0  HB3 SER A   3      -2.140  -9.294  -4.203  1.00  0.00           H   new
ATOM      0  HG  SER A   3       0.060  -9.778  -4.801  1.00  0.00           H   new
ATOM     45  N   HIS A   4      -3.929  -7.217  -3.111  1.00  0.00           N
ATOM     46  CA  HIS A   4      -4.837  -6.905  -2.019  1.00  0.00           C
ATOM     47  C   HIS A   4      -4.175  -7.324  -0.707  1.00  0.00           C
ATOM     48  O   HIS A   4      -3.629  -8.418  -0.618  1.00  0.00           O
ATOM     49  CB  HIS A   4      -6.171  -7.665  -2.225  1.00  0.00           C
ATOM     50  CG  HIS A   4      -7.311  -7.232  -1.328  1.00  0.00           C
ATOM     51  ND1 HIS A   4      -8.498  -7.912  -1.247  1.00  0.00           N
ATOM     52  CD2 HIS A   4      -7.459  -6.147  -0.535  1.00  0.00           C
ATOM     53  CE1 HIS A   4      -9.325  -7.268  -0.452  1.00  0.00           C
ATOM     54  NE2 HIS A   4      -8.714  -6.194  -0.007  1.00  0.00           N
ATOM      0  H   HIS A   4      -4.307  -7.891  -3.777  1.00  0.00           H   new
ATOM      0  HA  HIS A   4      -5.051  -5.837  -1.991  1.00  0.00           H   new
ATOM      0  HB2 HIS A   4      -6.482  -7.544  -3.263  1.00  0.00           H   new
ATOM      0  HB3 HIS A   4      -5.991  -8.729  -2.068  1.00  0.00           H   new
ATOM      0  HD2 HIS A   4      -6.718  -5.383  -0.353  1.00  0.00           H   new
ATOM      0  HE1 HIS A   4     -10.333  -7.570  -0.207  1.00  0.00           H   new
ATOM      0  HE2 HIS A   4      -9.114  -5.506   0.631  1.00  0.00           H   new
ATOM     63  N   TYR A   5      -4.180  -6.417   0.266  1.00  0.00           N
ATOM     64  CA  TYR A   5      -3.572  -6.602   1.594  1.00  0.00           C
ATOM     65  C   TYR A   5      -2.054  -6.511   1.566  1.00  0.00           C
ATOM     66  O   TYR A   5      -1.391  -6.759   2.575  1.00  0.00           O
ATOM     67  CB  TYR A   5      -4.057  -7.869   2.328  1.00  0.00           C
ATOM     68  CG  TYR A   5      -5.498  -7.798   2.757  1.00  0.00           C
ATOM     69  CD1 TYR A   5      -6.484  -8.487   2.078  1.00  0.00           C
ATOM     70  CD2 TYR A   5      -5.873  -7.020   3.842  1.00  0.00           C
ATOM     71  CE1 TYR A   5      -7.803  -8.403   2.465  1.00  0.00           C
ATOM     72  CE2 TYR A   5      -7.187  -6.934   4.240  1.00  0.00           C
ATOM     73  CZ  TYR A   5      -8.149  -7.626   3.548  1.00  0.00           C
ATOM     74  OH  TYR A   5      -9.468  -7.527   3.931  1.00  0.00           O
ATOM      0  H   TYR A   5      -4.619  -5.503   0.156  1.00  0.00           H   new
ATOM      0  HA  TYR A   5      -3.931  -5.759   2.184  1.00  0.00           H   new
ATOM      0  HB2 TYR A   5      -3.922  -8.732   1.676  1.00  0.00           H   new
ATOM      0  HB3 TYR A   5      -3.432  -8.033   3.206  1.00  0.00           H   new
ATOM      0  HD1 TYR A   5      -6.216  -9.101   1.231  1.00  0.00           H   new
ATOM      0  HD2 TYR A   5      -5.118  -6.471   4.385  1.00  0.00           H   new
ATOM      0  HE1 TYR A   5      -8.563  -8.944   1.921  1.00  0.00           H   new
ATOM      0  HE2 TYR A   5      -7.459  -6.327   5.090  1.00  0.00           H   new
ATOM      0  HH  TYR A   5      -9.538  -6.941   4.713  1.00  0.00           H   new
ATOM     84  N   GLY A   6      -1.516  -6.102   0.441  1.00  0.00           N
ATOM     85  CA  GLY A   6      -0.100  -5.898   0.337  1.00  0.00           C
ATOM     86  C   GLY A   6       0.238  -4.468   0.672  1.00  0.00           C
ATOM     87  O   GLY A   6      -0.672  -3.617   0.766  1.00  0.00           O
ATOM      0  H   GLY A   6      -2.041  -5.906  -0.411  1.00  0.00           H   new
ATOM      0  HA2 GLY A   6       0.424  -6.573   1.014  1.00  0.00           H   new
ATOM      0  HA3 GLY A   6       0.237  -6.134  -0.672  1.00  0.00           H   new
ATOM     91  N   GLN A   7       1.497  -4.185   0.829  1.00  0.00           N
ATOM     92  CA  GLN A   7       1.937  -2.867   1.184  1.00  0.00           C
ATOM     93  C   GLN A   7       2.146  -2.034  -0.072  1.00  0.00           C
ATOM     94  O   GLN A   7       3.136  -2.216  -0.762  1.00  0.00           O
ATOM     95  CB  GLN A   7       3.259  -2.941   1.967  1.00  0.00           C
ATOM     96  CG  GLN A   7       3.749  -1.591   2.469  1.00  0.00           C
ATOM     97  CD  GLN A   7       5.152  -1.614   3.031  1.00  0.00           C
ATOM     98  OE1 GLN A   7       5.822  -0.494   2.928  1.00  0.00           O   flip
ATOM     99  NE2 GLN A   7       5.622  -2.620   3.562  1.00  0.00           N   flip
ATOM      0  H   GLN A   7       2.250  -4.863   0.714  1.00  0.00           H   new
ATOM      0  HA  GLN A   7       1.173  -2.403   1.808  1.00  0.00           H   new
ATOM      0  HB2 GLN A   7       3.130  -3.610   2.818  1.00  0.00           H   new
ATOM      0  HB3 GLN A   7       4.025  -3.381   1.329  1.00  0.00           H   new
ATOM      0  HG2 GLN A   7       3.709  -0.874   1.649  1.00  0.00           H   new
ATOM      0  HG3 GLN A   7       3.066  -1.232   3.239  1.00  0.00           H   new
ATOM      0 HE21 GLN A   7       5.065  -3.473   3.621  1.00  0.00           H   new
ATOM      0 HE22 GLN A   7       6.568  -2.601   3.943  1.00  0.00           H   new
ATOM    108  N   CYS A   8       1.208  -1.128  -0.379  1.00  0.00           N
ATOM    109  CA  CYS A   8       1.392  -0.216  -1.525  1.00  0.00           C
ATOM    110  C   CYS A   8       2.560   0.676  -1.261  1.00  0.00           C
ATOM    111  O   CYS A   8       3.199   1.186  -2.169  1.00  0.00           O
ATOM    112  CB  CYS A   8       0.152   0.624  -1.813  1.00  0.00           C
ATOM    113  SG  CYS A   8      -0.567   1.485  -0.380  1.00  0.00           S
ATOM      0  H   CYS A   8       0.334  -1.005   0.133  1.00  0.00           H   new
ATOM      0  HA  CYS A   8       1.572  -0.829  -2.408  1.00  0.00           H   new
ATOM      0  HB2 CYS A   8       0.406   1.366  -2.570  1.00  0.00           H   new
ATOM      0  HB3 CYS A   8      -0.611  -0.024  -2.245  1.00  0.00           H   new
ATOM    118  N   GLY A   9       2.827   0.879  -0.001  1.00  0.00           N
ATOM    119  CA  GLY A   9       3.982   1.567   0.352  1.00  0.00           C
ATOM    120  C   GLY A   9       3.765   2.960   0.763  1.00  0.00           C
ATOM    121  O   GLY A   9       3.037   3.710   0.127  1.00  0.00           O
ATOM      0  H   GLY A   9       2.246   0.569   0.778  1.00  0.00           H   new
ATOM      0  HA2 GLY A   9       4.471   1.034   1.167  1.00  0.00           H   new
ATOM      0  HA3 GLY A   9       4.669   1.555  -0.494  1.00  0.00           H   new
ATOM    125  N   GLY A  10       4.367   3.282   1.846  1.00  0.00           N
ATOM    126  CA  GLY A  10       4.411   4.600   2.326  1.00  0.00           C
ATOM    127  C   GLY A  10       5.732   5.182   1.893  1.00  0.00           C
ATOM    128  O   GLY A  10       6.312   4.728   0.883  1.00  0.00           O
ATOM      0  H   GLY A  10       4.856   2.610   2.437  1.00  0.00           H   new
ATOM      0  HA2 GLY A  10       3.582   5.184   1.926  1.00  0.00           H   new
ATOM      0  HA3 GLY A  10       4.319   4.618   3.412  1.00  0.00           H   new
ATOM    132  N   ILE A  11       6.190   6.166   2.600  1.00  0.00           N
ATOM    133  CA  ILE A  11       7.490   6.761   2.376  1.00  0.00           C
ATOM    134  C   ILE A  11       8.567   5.666   2.493  1.00  0.00           C
ATOM    135  O   ILE A  11       8.633   4.947   3.498  1.00  0.00           O
ATOM    136  CB  ILE A  11       7.774   7.858   3.436  1.00  0.00           C
ATOM    137  CG1 ILE A  11       6.653   8.907   3.435  1.00  0.00           C
ATOM    138  CG2 ILE A  11       9.127   8.521   3.175  1.00  0.00           C
ATOM    139  CD1 ILE A  11       6.772   9.940   4.538  1.00  0.00           C
ATOM      0  H   ILE A  11       5.669   6.594   3.366  1.00  0.00           H   new
ATOM      0  HA  ILE A  11       7.507   7.212   1.384  1.00  0.00           H   new
ATOM      0  HB  ILE A  11       7.807   7.387   4.418  1.00  0.00           H   new
ATOM      0 HG12 ILE A  11       6.649   9.418   2.472  1.00  0.00           H   new
ATOM      0 HG13 ILE A  11       5.694   8.398   3.530  1.00  0.00           H   new
ATOM      0 HG21 ILE A  11       9.308   9.287   3.929  1.00  0.00           H   new
ATOM      0 HG22 ILE A  11       9.916   7.770   3.224  1.00  0.00           H   new
ATOM      0 HG23 ILE A  11       9.123   8.979   2.186  1.00  0.00           H   new
ATOM      0 HD11 ILE A  11       5.943  10.644   4.468  1.00  0.00           H   new
ATOM      0 HD12 ILE A  11       6.745   9.442   5.507  1.00  0.00           H   new
ATOM      0 HD13 ILE A  11       7.714  10.478   4.433  1.00  0.00           H   new
ATOM    151  N   GLY A  12       9.349   5.506   1.464  1.00  0.00           N
ATOM    152  CA  GLY A  12      10.395   4.516   1.480  1.00  0.00           C
ATOM    153  C   GLY A  12      10.126   3.402   0.509  1.00  0.00           C
ATOM    154  O   GLY A  12      10.996   2.588   0.225  1.00  0.00           O
ATOM      0  H   GLY A  12       9.285   6.047   0.602  1.00  0.00           H   new
ATOM      0  HA2 GLY A  12      11.346   4.989   1.236  1.00  0.00           H   new
ATOM      0  HA3 GLY A  12      10.492   4.106   2.485  1.00  0.00           H   new
ATOM    158  N   TYR A  13       8.931   3.359   0.005  1.00  0.00           N
ATOM    159  CA  TYR A  13       8.547   2.346  -0.931  1.00  0.00           C
ATOM    160  C   TYR A  13       8.378   3.012  -2.289  1.00  0.00           C
ATOM    161  O   TYR A  13       7.510   3.876  -2.466  1.00  0.00           O
ATOM    162  CB  TYR A  13       7.244   1.712  -0.455  1.00  0.00           C
ATOM    163  CG  TYR A  13       6.797   0.441  -1.169  1.00  0.00           C
ATOM    164  CD1 TYR A  13       6.867  -0.793  -0.529  1.00  0.00           C
ATOM    165  CD2 TYR A  13       6.279   0.477  -2.452  1.00  0.00           C
ATOM    166  CE1 TYR A  13       6.429  -1.947  -1.154  1.00  0.00           C
ATOM    167  CE2 TYR A  13       5.848  -0.666  -3.079  1.00  0.00           C
ATOM    168  CZ  TYR A  13       5.919  -1.874  -2.431  1.00  0.00           C
ATOM    169  OH  TYR A  13       5.484  -3.011  -3.067  1.00  0.00           O
ATOM      0  H   TYR A  13       8.193   4.026   0.231  1.00  0.00           H   new
ATOM      0  HA  TYR A  13       9.298   1.560  -1.010  1.00  0.00           H   new
ATOM      0  HB2 TYR A  13       7.343   1.488   0.607  1.00  0.00           H   new
ATOM      0  HB3 TYR A  13       6.450   2.453  -0.552  1.00  0.00           H   new
ATOM      0  HD1 TYR A  13       7.270  -0.851   0.471  1.00  0.00           H   new
ATOM      0  HD2 TYR A  13       6.213   1.422  -2.970  1.00  0.00           H   new
ATOM      0  HE1 TYR A  13       6.487  -2.897  -0.644  1.00  0.00           H   new
ATOM      0  HE2 TYR A  13       5.453  -0.615  -4.083  1.00  0.00           H   new
ATOM      0  HH  TYR A  13       4.682  -3.351  -2.618  1.00  0.00           H   new
ATOM    179  N   SER A  14       9.220   2.653  -3.214  1.00  0.00           N
ATOM    180  CA  SER A  14       9.208   3.241  -4.535  1.00  0.00           C
ATOM    181  C   SER A  14       8.736   2.253  -5.611  1.00  0.00           C
ATOM    182  O   SER A  14       8.668   2.597  -6.802  1.00  0.00           O
ATOM    183  CB  SER A  14      10.609   3.765  -4.840  1.00  0.00           C
ATOM    184  OG  SER A  14      11.594   2.788  -4.481  1.00  0.00           O
ATOM      0  H   SER A  14       9.939   1.942  -3.080  1.00  0.00           H   new
ATOM      0  HA  SER A  14       8.490   4.061  -4.550  1.00  0.00           H   new
ATOM      0  HB2 SER A  14      10.693   4.003  -5.900  1.00  0.00           H   new
ATOM      0  HB3 SER A  14      10.787   4.689  -4.291  1.00  0.00           H   new
ATOM      0  HG  SER A  14      12.488   3.135  -4.683  1.00  0.00           H   new
ATOM    190  N   GLY A  15       8.411   1.040  -5.194  1.00  0.00           N
ATOM    191  CA  GLY A  15       7.964   0.010  -6.119  1.00  0.00           C
ATOM    192  C   GLY A  15       6.490   0.146  -6.491  1.00  0.00           C
ATOM    193  O   GLY A  15       6.036   1.256  -6.813  1.00  0.00           O
ATOM      0  H   GLY A  15       8.448   0.744  -4.219  1.00  0.00           H   new
ATOM      0  HA2 GLY A  15       8.568   0.055  -7.025  1.00  0.00           H   new
ATOM      0  HA3 GLY A  15       8.132  -0.970  -5.673  1.00  0.00           H   new
ATOM    197  N   PRO A  16       5.721  -0.970  -6.485  1.00  0.00           N
ATOM    198  CA  PRO A  16       4.279  -0.961  -6.773  1.00  0.00           C
ATOM    199  C   PRO A  16       3.456  -0.166  -5.759  1.00  0.00           C
ATOM    200  O   PRO A  16       2.850  -0.720  -4.853  1.00  0.00           O
ATOM    201  CB  PRO A  16       3.871  -2.441  -6.726  1.00  0.00           C
ATOM    202  CG  PRO A  16       5.134  -3.186  -6.900  1.00  0.00           C
ATOM    203  CD  PRO A  16       6.200  -2.345  -6.249  1.00  0.00           C
ATOM      0  HA  PRO A  16       4.089  -0.477  -7.731  1.00  0.00           H   new
ATOM      0  HB2 PRO A  16       3.392  -2.690  -5.779  1.00  0.00           H   new
ATOM      0  HB3 PRO A  16       3.159  -2.680  -7.516  1.00  0.00           H   new
ATOM      0  HG2 PRO A  16       5.075  -4.170  -6.435  1.00  0.00           H   new
ATOM      0  HG3 PRO A  16       5.352  -3.345  -7.956  1.00  0.00           H   new
ATOM      0  HD2 PRO A  16       6.294  -2.564  -5.185  1.00  0.00           H   new
ATOM      0  HD3 PRO A  16       7.179  -2.515  -6.697  1.00  0.00           H   new
ATOM    211  N   THR A  17       3.469   1.128  -5.911  1.00  0.00           N
ATOM    212  CA  THR A  17       2.696   2.008  -5.079  1.00  0.00           C
ATOM    213  C   THR A  17       1.249   2.044  -5.564  1.00  0.00           C
ATOM    214  O   THR A  17       0.334   2.502  -4.872  1.00  0.00           O
ATOM    215  CB  THR A  17       3.331   3.408  -5.067  1.00  0.00           C
ATOM    216  OG1 THR A  17       3.709   3.776  -6.412  1.00  0.00           O
ATOM    217  CG2 THR A  17       4.566   3.427  -4.183  1.00  0.00           C
ATOM      0  H   THR A  17       4.021   1.607  -6.622  1.00  0.00           H   new
ATOM      0  HA  THR A  17       2.692   1.637  -4.054  1.00  0.00           H   new
ATOM      0  HB  THR A  17       2.602   4.117  -4.674  1.00  0.00           H   new
ATOM      0  HG1 THR A  17       4.633   3.496  -6.580  1.00  0.00           H   new
ATOM      0 HG21 THR A  17       5.001   4.426  -4.187  1.00  0.00           H   new
ATOM      0 HG22 THR A  17       4.288   3.157  -3.164  1.00  0.00           H   new
ATOM      0 HG23 THR A  17       5.296   2.712  -4.562  1.00  0.00           H   new
ATOM    225  N   VAL A  18       1.055   1.541  -6.758  1.00  0.00           N
ATOM    226  CA  VAL A  18      -0.241   1.418  -7.340  1.00  0.00           C
ATOM    227  C   VAL A  18      -0.755   0.032  -7.000  1.00  0.00           C
ATOM    228  O   VAL A  18      -0.047  -0.973  -7.194  1.00  0.00           O
ATOM    229  CB  VAL A  18      -0.191   1.599  -8.883  1.00  0.00           C
ATOM    230  CG1 VAL A  18      -1.588   1.564  -9.493  1.00  0.00           C
ATOM    231  CG2 VAL A  18       0.515   2.892  -9.250  1.00  0.00           C
ATOM      0  H   VAL A  18       1.810   1.203  -7.355  1.00  0.00           H   new
ATOM      0  HA  VAL A  18      -0.898   2.194  -6.947  1.00  0.00           H   new
ATOM      0  HB  VAL A  18       0.376   0.764  -9.294  1.00  0.00           H   new
ATOM      0 HG11 VAL A  18      -1.517   1.693 -10.573  1.00  0.00           H   new
ATOM      0 HG12 VAL A  18      -2.057   0.605  -9.273  1.00  0.00           H   new
ATOM      0 HG13 VAL A  18      -2.190   2.368  -9.070  1.00  0.00           H   new
ATOM      0 HG21 VAL A  18       0.539   2.998 -10.335  1.00  0.00           H   new
ATOM      0 HG22 VAL A  18      -0.021   3.735  -8.814  1.00  0.00           H   new
ATOM      0 HG23 VAL A  18       1.535   2.872  -8.865  1.00  0.00           H   new
ATOM    241  N   CYS A  19      -1.929  -0.024  -6.476  1.00  0.00           N
ATOM    242  CA  CYS A  19      -2.538  -1.260  -6.076  1.00  0.00           C
ATOM    243  C   CYS A  19      -3.279  -1.886  -7.240  1.00  0.00           C
ATOM    244  O   CYS A  19      -3.479  -1.245  -8.285  1.00  0.00           O
ATOM    245  CB  CYS A  19      -3.500  -1.004  -4.924  1.00  0.00           C
ATOM    246  SG  CYS A  19      -2.719  -0.259  -3.468  1.00  0.00           S
ATOM      0  H   CYS A  19      -2.509   0.798  -6.307  1.00  0.00           H   new
ATOM      0  HA  CYS A  19      -1.759  -1.950  -5.751  1.00  0.00           H   new
ATOM      0  HB2 CYS A  19      -4.300  -0.350  -5.270  1.00  0.00           H   new
ATOM      0  HB3 CYS A  19      -3.963  -1.947  -4.633  1.00  0.00           H   new
ATOM    251  N   ALA A  20      -3.655  -3.130  -7.079  1.00  0.00           N
ATOM    252  CA  ALA A  20      -4.411  -3.836  -8.082  1.00  0.00           C
ATOM    253  C   ALA A  20      -5.817  -3.261  -8.169  1.00  0.00           C
ATOM    254  O   ALA A  20      -6.327  -2.696  -7.180  1.00  0.00           O
ATOM    255  CB  ALA A  20      -4.455  -5.317  -7.757  1.00  0.00           C
ATOM      0  H   ALA A  20      -3.445  -3.682  -6.247  1.00  0.00           H   new
ATOM      0  HA  ALA A  20      -3.925  -3.713  -9.050  1.00  0.00           H   new
ATOM      0  HB1 ALA A  20      -5.029  -5.840  -8.522  1.00  0.00           H   new
ATOM      0  HB2 ALA A  20      -3.440  -5.714  -7.730  1.00  0.00           H   new
ATOM      0  HB3 ALA A  20      -4.928  -5.462  -6.786  1.00  0.00           H   new
ATOM    261  N   SER A  21      -6.428  -3.377  -9.324  1.00  0.00           N
ATOM    262  CA  SER A  21      -7.759  -2.863  -9.541  1.00  0.00           C
ATOM    263  C   SER A  21      -8.744  -3.494  -8.560  1.00  0.00           C
ATOM    264  O   SER A  21      -8.839  -4.717  -8.461  1.00  0.00           O
ATOM    265  CB  SER A  21      -8.167  -3.127 -10.981  1.00  0.00           C
ATOM    266  OG  SER A  21      -7.202  -2.568 -11.865  1.00  0.00           O
ATOM      0  H   SER A  21      -6.016  -3.830 -10.140  1.00  0.00           H   new
ATOM      0  HA  SER A  21      -7.769  -1.787  -9.365  1.00  0.00           H   new
ATOM      0  HB2 SER A  21      -8.253  -4.200 -11.153  1.00  0.00           H   new
ATOM      0  HB3 SER A  21      -9.147  -2.693 -11.176  1.00  0.00           H   new
ATOM      0  HG  SER A  21      -7.468  -2.742 -12.792  1.00  0.00           H   new
ATOM    272  N   GLY A  22      -9.420  -2.657  -7.812  1.00  0.00           N
ATOM    273  CA  GLY A  22     -10.358  -3.128  -6.837  1.00  0.00           C
ATOM    274  C   GLY A  22      -9.884  -2.873  -5.429  1.00  0.00           C
ATOM    275  O   GLY A  22     -10.637  -3.067  -4.466  1.00  0.00           O
ATOM      0  H   GLY A  22      -9.334  -1.642  -7.864  1.00  0.00           H   new
ATOM      0  HA2 GLY A  22     -11.319  -2.636  -6.991  1.00  0.00           H   new
ATOM      0  HA3 GLY A  22     -10.521  -4.197  -6.977  1.00  0.00           H   new
ATOM    279  N   THR A  23      -8.656  -2.422  -5.289  1.00  0.00           N
ATOM    280  CA  THR A  23      -8.108  -2.135  -3.981  1.00  0.00           C
ATOM    281  C   THR A  23      -7.643  -0.684  -3.920  1.00  0.00           C
ATOM    282  O   THR A  23      -7.351  -0.083  -4.962  1.00  0.00           O
ATOM    283  CB  THR A  23      -6.938  -3.100  -3.625  1.00  0.00           C
ATOM    284  OG1 THR A  23      -5.864  -2.974  -4.564  1.00  0.00           O
ATOM    285  CG2 THR A  23      -7.416  -4.535  -3.635  1.00  0.00           C
ATOM      0  H   THR A  23      -8.018  -2.246  -6.065  1.00  0.00           H   new
ATOM      0  HA  THR A  23      -8.895  -2.290  -3.243  1.00  0.00           H   new
ATOM      0  HB  THR A  23      -6.584  -2.830  -2.630  1.00  0.00           H   new
ATOM      0  HG1 THR A  23      -6.206  -3.107  -5.472  1.00  0.00           H   new
ATOM      0 HG21 THR A  23      -6.587  -5.196  -3.384  1.00  0.00           H   new
ATOM      0 HG22 THR A  23      -8.213  -4.658  -2.902  1.00  0.00           H   new
ATOM      0 HG23 THR A  23      -7.793  -4.786  -4.626  1.00  0.00           H   new
ATOM    293  N   THR A  24      -7.609  -0.117  -2.741  1.00  0.00           N
ATOM    294  CA  THR A  24      -7.187   1.248  -2.569  1.00  0.00           C
ATOM    295  C   THR A  24      -5.931   1.336  -1.717  1.00  0.00           C
ATOM    296  O   THR A  24      -5.820   0.649  -0.698  1.00  0.00           O
ATOM    297  CB  THR A  24      -8.310   2.098  -1.926  1.00  0.00           C
ATOM    298  OG1 THR A  24      -8.825   1.443  -0.742  1.00  0.00           O
ATOM    299  CG2 THR A  24      -9.439   2.339  -2.909  1.00  0.00           C
ATOM      0  H   THR A  24      -7.873  -0.588  -1.876  1.00  0.00           H   new
ATOM      0  HA  THR A  24      -6.964   1.643  -3.560  1.00  0.00           H   new
ATOM      0  HB  THR A  24      -7.882   3.060  -1.645  1.00  0.00           H   new
ATOM      0  HG1 THR A  24      -9.090   0.526  -0.964  1.00  0.00           H   new
ATOM      0 HG21 THR A  24     -10.215   2.938  -2.432  1.00  0.00           H   new
ATOM      0 HG22 THR A  24      -9.055   2.869  -3.781  1.00  0.00           H   new
ATOM      0 HG23 THR A  24      -9.860   1.383  -3.221  1.00  0.00           H   new
ATOM    307  N   CYS A  25      -4.983   2.148  -2.130  1.00  0.00           N
ATOM    308  CA  CYS A  25      -3.796   2.351  -1.335  1.00  0.00           C
ATOM    309  C   CYS A  25      -4.117   3.303  -0.211  1.00  0.00           C
ATOM    310  O   CYS A  25      -4.485   4.467  -0.446  1.00  0.00           O
ATOM    311  CB  CYS A  25      -2.614   2.882  -2.163  1.00  0.00           C
ATOM    312  SG  CYS A  25      -1.130   3.276  -1.161  1.00  0.00           S
ATOM      0  H   CYS A  25      -5.011   2.673  -3.004  1.00  0.00           H   new
ATOM      0  HA  CYS A  25      -3.487   1.384  -0.937  1.00  0.00           H   new
ATOM      0  HB2 CYS A  25      -2.347   2.140  -2.916  1.00  0.00           H   new
ATOM      0  HB3 CYS A  25      -2.929   3.778  -2.697  1.00  0.00           H   new
ATOM    317  N   GLN A  26      -4.049   2.813   0.989  1.00  0.00           N
ATOM    318  CA  GLN A  26      -4.329   3.602   2.146  1.00  0.00           C
ATOM    319  C   GLN A  26      -3.077   3.717   2.982  1.00  0.00           C
ATOM    320  O   GLN A  26      -2.546   2.707   3.474  1.00  0.00           O
ATOM    321  CB  GLN A  26      -5.484   2.980   2.939  1.00  0.00           C
ATOM    322  CG  GLN A  26      -6.765   2.847   2.120  1.00  0.00           C
ATOM    323  CD  GLN A  26      -7.903   2.188   2.866  1.00  0.00           C
ATOM    324  OE1 GLN A  26      -8.026   2.299   4.086  1.00  0.00           O
ATOM    325  NE2 GLN A  26      -8.741   1.503   2.147  1.00  0.00           N
ATOM      0  H   GLN A  26      -3.795   1.846   1.193  1.00  0.00           H   new
ATOM      0  HA  GLN A  26      -4.638   4.604   1.850  1.00  0.00           H   new
ATOM      0  HB2 GLN A  26      -5.183   1.995   3.296  1.00  0.00           H   new
ATOM      0  HB3 GLN A  26      -5.684   3.591   3.819  1.00  0.00           H   new
ATOM      0  HG2 GLN A  26      -7.082   3.838   1.796  1.00  0.00           H   new
ATOM      0  HG3 GLN A  26      -6.551   2.270   1.220  1.00  0.00           H   new
ATOM      0 HE21 GLN A  26      -8.608   1.432   1.138  1.00  0.00           H   new
ATOM      0 HE22 GLN A  26      -9.531   1.036   2.591  1.00  0.00           H   new
ATOM    334  N   VAL A  27      -2.576   4.926   3.091  1.00  0.00           N
ATOM    335  CA  VAL A  27      -1.397   5.197   3.865  1.00  0.00           C
ATOM    336  C   VAL A  27      -1.793   5.244   5.339  1.00  0.00           C
ATOM    337  O   VAL A  27      -2.323   6.249   5.832  1.00  0.00           O
ATOM    338  CB  VAL A  27      -0.700   6.518   3.400  1.00  0.00           C
ATOM    339  CG1 VAL A  27       0.576   6.769   4.158  1.00  0.00           C
ATOM    340  CG2 VAL A  27      -0.431   6.490   1.900  1.00  0.00           C
ATOM      0  H   VAL A  27      -2.979   5.748   2.642  1.00  0.00           H   new
ATOM      0  HA  VAL A  27      -0.664   4.404   3.716  1.00  0.00           H   new
ATOM      0  HB  VAL A  27      -1.383   7.340   3.616  1.00  0.00           H   new
ATOM      0 HG11 VAL A  27       1.031   7.695   3.807  1.00  0.00           H   new
ATOM      0 HG12 VAL A  27       0.356   6.853   5.222  1.00  0.00           H   new
ATOM      0 HG13 VAL A  27       1.266   5.941   3.994  1.00  0.00           H   new
ATOM      0 HG21 VAL A  27       0.054   7.419   1.600  1.00  0.00           H   new
ATOM      0 HG22 VAL A  27       0.219   5.648   1.663  1.00  0.00           H   new
ATOM      0 HG23 VAL A  27      -1.374   6.383   1.363  1.00  0.00           H   new
ATOM    350  N   LEU A  28      -1.604   4.120   6.000  1.00  0.00           N
ATOM    351  CA  LEU A  28      -2.039   3.914   7.383  1.00  0.00           C
ATOM    352  C   LEU A  28      -1.071   4.584   8.328  1.00  0.00           C
ATOM    353  O   LEU A  28      -1.450   5.166   9.344  1.00  0.00           O
ATOM    354  CB  LEU A  28      -2.076   2.409   7.697  1.00  0.00           C
ATOM    355  CG  LEU A  28      -2.834   1.506   6.710  1.00  0.00           C
ATOM    356  CD1 LEU A  28      -2.810   0.068   7.177  1.00  0.00           C
ATOM    357  CD2 LEU A  28      -4.258   1.965   6.531  1.00  0.00           C
ATOM      0  H   LEU A  28      -1.139   3.308   5.594  1.00  0.00           H   new
ATOM      0  HA  LEU A  28      -3.033   4.343   7.507  1.00  0.00           H   new
ATOM      0  HB2 LEU A  28      -1.048   2.052   7.762  1.00  0.00           H   new
ATOM      0  HB3 LEU A  28      -2.521   2.280   8.684  1.00  0.00           H   new
ATOM      0  HG  LEU A  28      -2.329   1.574   5.747  1.00  0.00           H   new
ATOM      0 HD11 LEU A  28      -3.352  -0.555   6.465  1.00  0.00           H   new
ATOM      0 HD12 LEU A  28      -1.778  -0.275   7.247  1.00  0.00           H   new
ATOM      0 HD13 LEU A  28      -3.283  -0.005   8.156  1.00  0.00           H   new
ATOM      0 HD21 LEU A  28      -4.767   1.306   5.827  1.00  0.00           H   new
ATOM      0 HD22 LEU A  28      -4.773   1.937   7.491  1.00  0.00           H   new
ATOM      0 HD23 LEU A  28      -4.266   2.984   6.144  1.00  0.00           H   new
ATOM    369  N   ASN A  29       0.168   4.481   7.980  1.00  0.00           N
ATOM    370  CA  ASN A  29       1.274   5.040   8.710  1.00  0.00           C
ATOM    371  C   ASN A  29       2.114   5.683   7.646  1.00  0.00           C
ATOM    372  O   ASN A  29       1.879   5.384   6.485  1.00  0.00           O
ATOM    373  CB  ASN A  29       2.086   3.929   9.390  1.00  0.00           C
ATOM    374  CG  ASN A  29       1.306   3.060  10.339  1.00  0.00           C
ATOM    375  OD1 ASN A  29       0.794   1.973   9.838  1.00  0.00           O   flip
ATOM    376  ND2 ASN A  29       1.186   3.356  11.512  1.00  0.00           N   flip
ATOM      0  H   ASN A  29       0.459   3.982   7.139  1.00  0.00           H   new
ATOM      0  HA  ASN A  29       0.951   5.730   9.490  1.00  0.00           H   new
ATOM      0  HB2 ASN A  29       2.524   3.296   8.618  1.00  0.00           H   new
ATOM      0  HB3 ASN A  29       2.912   4.385   9.935  1.00  0.00           H   new
ATOM      0 HD21 ASN A  29       1.602   4.217  11.866  1.00  0.00           H   new
ATOM      0 HD22 ASN A  29       0.669   2.743  12.142  1.00  0.00           H   new
ATOM    383  N   PRO A  30       3.116   6.519   7.959  1.00  0.00           N
ATOM    384  CA  PRO A  30       3.865   7.216   6.919  1.00  0.00           C
ATOM    385  C   PRO A  30       4.636   6.266   6.027  1.00  0.00           C
ATOM    386  O   PRO A  30       4.792   6.520   4.849  1.00  0.00           O
ATOM    387  CB  PRO A  30       4.845   8.103   7.676  1.00  0.00           C
ATOM    388  CG  PRO A  30       4.348   8.133   9.081  1.00  0.00           C
ATOM    389  CD  PRO A  30       3.631   6.835   9.299  1.00  0.00           C
ATOM      0  HA  PRO A  30       3.191   7.768   6.264  1.00  0.00           H   new
ATOM      0  HB2 PRO A  30       5.857   7.702   7.626  1.00  0.00           H   new
ATOM      0  HB3 PRO A  30       4.878   9.106   7.249  1.00  0.00           H   new
ATOM      0  HG2 PRO A  30       5.174   8.244   9.784  1.00  0.00           H   new
ATOM      0  HG3 PRO A  30       3.679   8.979   9.239  1.00  0.00           H   new
ATOM      0  HD2 PRO A  30       4.302   6.059   9.668  1.00  0.00           H   new
ATOM      0  HD3 PRO A  30       2.827   6.934  10.028  1.00  0.00           H   new
ATOM    397  N   TYR A  31       5.105   5.167   6.585  1.00  0.00           N
ATOM    398  CA  TYR A  31       5.906   4.246   5.818  1.00  0.00           C
ATOM    399  C   TYR A  31       5.103   2.976   5.478  1.00  0.00           C
ATOM    400  O   TYR A  31       5.358   2.311   4.460  1.00  0.00           O
ATOM    401  CB  TYR A  31       7.174   3.890   6.611  1.00  0.00           C
ATOM    402  CG  TYR A  31       7.946   5.099   7.129  1.00  0.00           C
ATOM    403  CD1 TYR A  31       8.927   5.697   6.360  1.00  0.00           C
ATOM    404  CD2 TYR A  31       7.685   5.640   8.389  1.00  0.00           C
ATOM    405  CE1 TYR A  31       9.625   6.791   6.812  1.00  0.00           C
ATOM    406  CE2 TYR A  31       8.382   6.738   8.850  1.00  0.00           C
ATOM    407  CZ  TYR A  31       9.350   7.308   8.055  1.00  0.00           C
ATOM    408  OH  TYR A  31      10.045   8.406   8.506  1.00  0.00           O
ATOM      0  H   TYR A  31       4.945   4.896   7.555  1.00  0.00           H   new
ATOM      0  HA  TYR A  31       6.192   4.720   4.879  1.00  0.00           H   new
ATOM      0  HB2 TYR A  31       6.896   3.261   7.457  1.00  0.00           H   new
ATOM      0  HB3 TYR A  31       7.832   3.297   5.976  1.00  0.00           H   new
ATOM      0  HD1 TYR A  31       9.150   5.295   5.382  1.00  0.00           H   new
ATOM      0  HD2 TYR A  31       6.926   5.192   9.013  1.00  0.00           H   new
ATOM      0  HE1 TYR A  31      10.386   7.242   6.193  1.00  0.00           H   new
ATOM      0  HE2 TYR A  31       8.170   7.147   9.827  1.00  0.00           H   new
ATOM      0  HH  TYR A  31       9.730   8.647   9.402  1.00  0.00           H   new
ATOM    418  N   TYR A  32       4.090   2.671   6.284  1.00  0.00           N
ATOM    419  CA  TYR A  32       3.250   1.517   6.021  1.00  0.00           C
ATOM    420  C   TYR A  32       1.935   1.937   5.401  1.00  0.00           C
ATOM    421  O   TYR A  32       1.139   2.651   6.008  1.00  0.00           O
ATOM    422  CB  TYR A  32       2.975   0.666   7.273  1.00  0.00           C
ATOM    423  CG  TYR A  32       2.224  -0.624   6.943  1.00  0.00           C
ATOM    424  CD1 TYR A  32       2.900  -1.716   6.409  1.00  0.00           C
ATOM    425  CD2 TYR A  32       0.846  -0.743   7.143  1.00  0.00           C
ATOM    426  CE1 TYR A  32       2.236  -2.882   6.082  1.00  0.00           C
ATOM    427  CE2 TYR A  32       0.182  -1.915   6.820  1.00  0.00           C
ATOM    428  CZ  TYR A  32       0.878  -2.974   6.291  1.00  0.00           C
ATOM    429  OH  TYR A  32       0.207  -4.135   5.965  1.00  0.00           O
ATOM      0  H   TYR A  32       3.836   3.204   7.116  1.00  0.00           H   new
ATOM      0  HA  TYR A  32       3.810   0.896   5.322  1.00  0.00           H   new
ATOM      0  HB2 TYR A  32       3.920   0.420   7.757  1.00  0.00           H   new
ATOM      0  HB3 TYR A  32       2.394   1.250   7.986  1.00  0.00           H   new
ATOM      0  HD1 TYR A  32       3.966  -1.651   6.247  1.00  0.00           H   new
ATOM      0  HD2 TYR A  32       0.292   0.088   7.554  1.00  0.00           H   new
ATOM      0  HE1 TYR A  32       2.779  -3.717   5.665  1.00  0.00           H   new
ATOM      0  HE2 TYR A  32      -0.882  -1.996   6.984  1.00  0.00           H   new
ATOM      0  HH  TYR A  32      -0.744  -4.033   6.176  1.00  0.00           H   new
ATOM    439  N   SER A  33       1.707   1.498   4.220  1.00  0.00           N
ATOM    440  CA  SER A  33       0.491   1.762   3.523  1.00  0.00           C
ATOM    441  C   SER A  33       0.042   0.460   2.925  1.00  0.00           C
ATOM    442  O   SER A  33       0.881  -0.307   2.469  1.00  0.00           O
ATOM    443  CB  SER A  33       0.763   2.795   2.461  1.00  0.00           C
ATOM    444  OG  SER A  33       1.387   3.913   3.051  1.00  0.00           O
ATOM      0  H   SER A  33       2.372   0.931   3.693  1.00  0.00           H   new
ATOM      0  HA  SER A  33      -0.290   2.152   4.176  1.00  0.00           H   new
ATOM      0  HB2 SER A  33       1.401   2.375   1.684  1.00  0.00           H   new
ATOM      0  HB3 SER A  33      -0.169   3.095   1.981  1.00  0.00           H   new
ATOM      0  HG  SER A  33       1.725   4.507   2.349  1.00  0.00           H   new
ATOM    450  N   GLN A  34      -1.227   0.189   2.938  1.00  0.00           N
ATOM    451  CA  GLN A  34      -1.706  -1.096   2.505  1.00  0.00           C
ATOM    452  C   GLN A  34      -2.787  -0.925   1.444  1.00  0.00           C
ATOM    453  O   GLN A  34      -3.454   0.114   1.393  1.00  0.00           O
ATOM    454  CB  GLN A  34      -2.228  -1.872   3.728  1.00  0.00           C
ATOM    455  CG  GLN A  34      -2.607  -3.317   3.456  1.00  0.00           C
ATOM    456  CD  GLN A  34      -3.064  -4.053   4.696  1.00  0.00           C
ATOM    457  OE1 GLN A  34      -3.641  -3.467   5.618  1.00  0.00           O
ATOM    458  NE2 GLN A  34      -2.771  -5.327   4.761  1.00  0.00           N
ATOM      0  H   GLN A  34      -1.953   0.837   3.243  1.00  0.00           H   new
ATOM      0  HA  GLN A  34      -0.894  -1.665   2.052  1.00  0.00           H   new
ATOM      0  HB2 GLN A  34      -1.464  -1.852   4.505  1.00  0.00           H   new
ATOM      0  HB3 GLN A  34      -3.100  -1.352   4.125  1.00  0.00           H   new
ATOM      0  HG2 GLN A  34      -3.402  -3.344   2.711  1.00  0.00           H   new
ATOM      0  HG3 GLN A  34      -1.750  -3.837   3.027  1.00  0.00           H   new
ATOM      0 HE21 GLN A  34      -2.294  -5.781   3.982  1.00  0.00           H   new
ATOM      0 HE22 GLN A  34      -3.020  -5.866   5.591  1.00  0.00           H   new
ATOM    467  N   CYS A  35      -2.915  -1.906   0.584  1.00  0.00           N
ATOM    468  CA  CYS A  35      -3.936  -1.910  -0.435  1.00  0.00           C
ATOM    469  C   CYS A  35      -5.154  -2.633   0.084  1.00  0.00           C
ATOM    470  O   CYS A  35      -5.153  -3.870   0.221  1.00  0.00           O
ATOM    471  CB  CYS A  35      -3.442  -2.604  -1.704  1.00  0.00           C
ATOM    472  SG  CYS A  35      -1.976  -1.844  -2.443  1.00  0.00           S
ATOM      0  H   CYS A  35      -2.311  -2.728   0.571  1.00  0.00           H   new
ATOM      0  HA  CYS A  35      -4.184  -0.877  -0.679  1.00  0.00           H   new
ATOM      0  HB2 CYS A  35      -3.219  -3.645  -1.472  1.00  0.00           H   new
ATOM      0  HB3 CYS A  35      -4.246  -2.606  -2.440  1.00  0.00           H   new
ATOM    477  N   LEU A  36      -6.164  -1.889   0.392  1.00  0.00           N
ATOM    478  CA  LEU A  36      -7.384  -2.442   0.884  1.00  0.00           C
ATOM    479  C   LEU A  36      -8.413  -2.342  -0.192  1.00  0.00           C
ATOM    480  O   LEU A  36      -8.811  -3.373  -0.731  1.00  0.00           O
ATOM    481  CB  LEU A  36      -7.877  -1.759   2.179  1.00  0.00           C
ATOM    482  CG  LEU A  36      -6.991  -1.885   3.438  1.00  0.00           C
ATOM    483  CD1 LEU A  36      -6.553  -3.314   3.689  1.00  0.00           C
ATOM    484  CD2 LEU A  36      -5.813  -0.928   3.422  1.00  0.00           C
ATOM    485  OXT LEU A  36      -8.762  -1.202  -0.579  1.00  0.00           O
ATOM      0  H   LEU A  36      -6.167  -0.872   0.309  1.00  0.00           H   new
ATOM      0  HA  LEU A  36      -7.205  -3.484   1.149  1.00  0.00           H   new
ATOM      0  HB2 LEU A  36      -8.012  -0.698   1.968  1.00  0.00           H   new
ATOM      0  HB3 LEU A  36      -8.860  -2.164   2.419  1.00  0.00           H   new
ATOM      0  HG  LEU A  36      -7.618  -1.591   4.280  1.00  0.00           H   new
ATOM      0 HD11 LEU A  36      -5.932  -3.352   4.584  1.00  0.00           H   new
ATOM      0 HD12 LEU A  36      -7.431  -3.944   3.829  1.00  0.00           H   new
ATOM      0 HD13 LEU A  36      -5.980  -3.674   2.835  1.00  0.00           H   new
ATOM      0 HD21 LEU A  36      -5.225  -1.060   4.330  1.00  0.00           H   new
ATOM      0 HD22 LEU A  36      -5.189  -1.134   2.552  1.00  0.00           H   new
ATOM      0 HD23 LEU A  36      -6.178   0.098   3.372  1.00  0.00           H   new