USER  MOD reduce.3.24.130724 H: found=0, std=0, add=226, rem=0, adj=12
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  32 TYR OH  :   rot  180:sc=       0
USER  MOD Set 1.2: A  34 GLN     :      amide:sc=   0.784  K(o=0.78,f=-0.47)
USER  MOD Set 2.1: A  24 THR OG1 :   rot  -52:sc=    1.95
USER  MOD Set 2.2: A  26 GLN     :      amide:sc=   -1.37! K(o=0.58!,f=-0.4)
USER  MOD Single : A   2 GLN     :      amide:sc=  -0.846  K(o=-0.85,f=-1.6)
USER  MOD Single : A   3 SER OG  :   rot  180:sc=       0
USER  MOD Single : A   4 HIS     :     no HD1:sc=   -1.82  X(o=-1.8,f=-2.3!)
USER  MOD Single : A   5 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A   7 GLN     :      amide:sc=  -0.354  X(o=-0.35,f=-0.22)
USER  MOD Single : A  13 TYR OH  :   rot  180:sc=  -0.452
USER  MOD Single : A  14 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  17 THR OG1 :   rot  180:sc=  0.0528
USER  MOD Single : A  21 SER OG  :   rot  180:sc= 0.00842
USER  MOD Single : A  23 THR OG1 :   rot  -53:sc=  -0.422!
USER  MOD Single : A  29 ASN     :FLIP  amide:sc=       0  F(o=-1.1,f=0)
USER  MOD Single : A  31 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  33 SER OG  :   rot  171:sc=   -1.33
USER  MOD -----------------------------------------------------------------
ATOM     17  N   GLN A   2       0.456  -3.697  -6.631  1.00  0.00           N
ATOM     18  CA  GLN A   2       0.508  -4.357  -5.357  1.00  0.00           C
ATOM     19  C   GLN A   2      -0.793  -5.090  -5.083  1.00  0.00           C
ATOM     20  O   GLN A   2      -1.885  -4.565  -5.333  1.00  0.00           O
ATOM     21  CB  GLN A   2       0.840  -3.376  -4.240  1.00  0.00           C
ATOM     22  CG  GLN A   2       1.227  -4.098  -2.973  1.00  0.00           C
ATOM     23  CD  GLN A   2       2.410  -5.038  -3.202  1.00  0.00           C
ATOM     24  OE1 GLN A   2       3.291  -4.786  -4.020  1.00  0.00           O
ATOM     25  NE2 GLN A   2       2.374  -6.164  -2.576  1.00  0.00           N
ATOM      0  HA  GLN A   2       1.310  -5.095  -5.388  1.00  0.00           H   new
ATOM      0  HB2 GLN A   2       1.657  -2.726  -4.555  1.00  0.00           H   new
ATOM      0  HB3 GLN A   2      -0.021  -2.736  -4.048  1.00  0.00           H   new
ATOM      0  HG2 GLN A   2       1.483  -3.371  -2.202  1.00  0.00           H   new
ATOM      0  HG3 GLN A   2       0.375  -4.668  -2.603  1.00  0.00           H   new
ATOM      0 HE21 GLN A   2       1.632  -6.349  -1.901  1.00  0.00           H   new
ATOM      0 HE22 GLN A   2       3.088  -6.870  -2.755  1.00  0.00           H   new
ATOM     34  N   SER A   3      -0.661  -6.305  -4.595  1.00  0.00           N
ATOM     35  CA  SER A   3      -1.775  -7.177  -4.313  1.00  0.00           C
ATOM     36  C   SER A   3      -2.603  -6.699  -3.103  1.00  0.00           C
ATOM     37  O   SER A   3      -2.160  -5.842  -2.313  1.00  0.00           O
ATOM     38  CB  SER A   3      -1.227  -8.572  -4.070  1.00  0.00           C
ATOM     39  OG  SER A   3      -0.413  -8.969  -5.171  1.00  0.00           O
ATOM      0  H   SER A   3       0.245  -6.721  -4.379  1.00  0.00           H   new
ATOM      0  HA  SER A   3      -2.454  -7.172  -5.166  1.00  0.00           H   new
ATOM      0  HB2 SER A   3      -0.643  -8.588  -3.150  1.00  0.00           H   new
ATOM      0  HB3 SER A   3      -2.048  -9.277  -3.939  1.00  0.00           H   new
ATOM      0  HG  SER A   3      -0.060  -9.869  -5.009  1.00  0.00           H   new
ATOM     45  N   HIS A   4      -3.792  -7.266  -2.965  1.00  0.00           N
ATOM     46  CA  HIS A   4      -4.707  -6.920  -1.901  1.00  0.00           C
ATOM     47  C   HIS A   4      -4.096  -7.349  -0.566  1.00  0.00           C
ATOM     48  O   HIS A   4      -3.602  -8.468  -0.441  1.00  0.00           O
ATOM     49  CB  HIS A   4      -6.070  -7.609  -2.133  1.00  0.00           C
ATOM     50  CG  HIS A   4      -7.213  -7.030  -1.338  1.00  0.00           C
ATOM     51  ND1 HIS A   4      -8.448  -7.620  -1.235  1.00  0.00           N
ATOM     52  CD2 HIS A   4      -7.321  -5.860  -0.691  1.00  0.00           C
ATOM     53  CE1 HIS A   4      -9.257  -6.823  -0.571  1.00  0.00           C
ATOM     54  NE2 HIS A   4      -8.592  -5.748  -0.231  1.00  0.00           N
ATOM      0  H   HIS A   4      -4.147  -7.984  -3.596  1.00  0.00           H   new
ATOM      0  HA  HIS A   4      -4.874  -5.843  -1.886  1.00  0.00           H   new
ATOM      0  HB2 HIS A   4      -6.316  -7.549  -3.193  1.00  0.00           H   new
ATOM      0  HB3 HIS A   4      -5.974  -8.667  -1.887  1.00  0.00           H   new
ATOM      0  HD2 HIS A   4      -6.533  -5.133  -0.559  1.00  0.00           H   new
ATOM      0  HE1 HIS A   4     -10.294  -7.022  -0.345  1.00  0.00           H   new
ATOM      0  HE2 HIS A   4      -8.967  -4.957   0.293  1.00  0.00           H   new
ATOM     63  N   TYR A   5      -4.106  -6.423   0.394  1.00  0.00           N
ATOM     64  CA  TYR A   5      -3.517  -6.585   1.733  1.00  0.00           C
ATOM     65  C   TYR A   5      -1.994  -6.470   1.696  1.00  0.00           C
ATOM     66  O   TYR A   5      -1.318  -6.662   2.711  1.00  0.00           O
ATOM     67  CB  TYR A   5      -3.982  -7.867   2.466  1.00  0.00           C
ATOM     68  CG  TYR A   5      -5.462  -7.891   2.810  1.00  0.00           C
ATOM     69  CD1 TYR A   5      -6.388  -8.482   1.963  1.00  0.00           C
ATOM     70  CD2 TYR A   5      -5.925  -7.324   3.987  1.00  0.00           C
ATOM     71  CE1 TYR A   5      -7.731  -8.504   2.279  1.00  0.00           C
ATOM     72  CE2 TYR A   5      -7.269  -7.343   4.310  1.00  0.00           C
ATOM     73  CZ  TYR A   5      -8.167  -7.934   3.451  1.00  0.00           C
ATOM     74  OH  TYR A   5      -9.507  -7.955   3.767  1.00  0.00           O
ATOM      0  H   TYR A   5      -4.537  -5.508   0.261  1.00  0.00           H   new
ATOM      0  HA  TYR A   5      -3.900  -5.755   2.328  1.00  0.00           H   new
ATOM      0  HB2 TYR A   5      -3.752  -8.731   1.843  1.00  0.00           H   new
ATOM      0  HB3 TYR A   5      -3.406  -7.975   3.385  1.00  0.00           H   new
ATOM      0  HD1 TYR A   5      -6.052  -8.933   1.041  1.00  0.00           H   new
ATOM      0  HD2 TYR A   5      -5.223  -6.859   4.664  1.00  0.00           H   new
ATOM      0  HE1 TYR A   5      -8.438  -8.968   1.607  1.00  0.00           H   new
ATOM      0  HE2 TYR A   5      -7.612  -6.896   5.231  1.00  0.00           H   new
ATOM      0  HH  TYR A   5      -9.647  -7.511   4.629  1.00  0.00           H   new
ATOM     84  N   GLY A   6      -1.473  -6.075   0.560  1.00  0.00           N
ATOM     85  CA  GLY A   6      -0.067  -5.857   0.431  1.00  0.00           C
ATOM     86  C   GLY A   6       0.266  -4.413   0.684  1.00  0.00           C
ATOM     87  O   GLY A   6      -0.647  -3.569   0.780  1.00  0.00           O
ATOM      0  H   GLY A   6      -2.011  -5.899  -0.288  1.00  0.00           H   new
ATOM      0  HA2 GLY A   6       0.472  -6.490   1.136  1.00  0.00           H   new
ATOM      0  HA3 GLY A   6       0.261  -6.143  -0.568  1.00  0.00           H   new
ATOM     91  N   GLN A   7       1.534  -4.110   0.782  1.00  0.00           N
ATOM     92  CA  GLN A   7       1.968  -2.766   1.051  1.00  0.00           C
ATOM     93  C   GLN A   7       2.138  -2.008  -0.249  1.00  0.00           C
ATOM     94  O   GLN A   7       3.070  -2.283  -1.001  1.00  0.00           O
ATOM     95  CB  GLN A   7       3.304  -2.766   1.807  1.00  0.00           C
ATOM     96  CG  GLN A   7       3.764  -1.382   2.250  1.00  0.00           C
ATOM     97  CD  GLN A   7       5.180  -1.356   2.775  1.00  0.00           C
ATOM     98  OE1 GLN A   7       5.686  -2.343   3.313  1.00  0.00           O
ATOM     99  NE2 GLN A   7       5.821  -0.218   2.644  1.00  0.00           N
ATOM      0  H   GLN A   7       2.291  -4.785   0.678  1.00  0.00           H   new
ATOM      0  HA  GLN A   7       1.210  -2.282   1.667  1.00  0.00           H   new
ATOM      0  HB2 GLN A   7       3.213  -3.406   2.685  1.00  0.00           H   new
ATOM      0  HB3 GLN A   7       4.071  -3.206   1.169  1.00  0.00           H   new
ATOM      0  HG2 GLN A   7       3.685  -0.695   1.408  1.00  0.00           H   new
ATOM      0  HG3 GLN A   7       3.091  -1.015   3.025  1.00  0.00           H   new
ATOM      0 HE21 GLN A   7       5.365   0.575   2.192  1.00  0.00           H   new
ATOM      0 HE22 GLN A   7       6.775  -0.127   2.994  1.00  0.00           H   new
ATOM    108  N   CYS A   8       1.220  -1.092  -0.532  1.00  0.00           N
ATOM    109  CA  CYS A   8       1.343  -0.224  -1.707  1.00  0.00           C
ATOM    110  C   CYS A   8       2.530   0.666  -1.545  1.00  0.00           C
ATOM    111  O   CYS A   8       3.270   0.912  -2.472  1.00  0.00           O
ATOM    112  CB  CYS A   8       0.089   0.612  -1.919  1.00  0.00           C
ATOM    113  SG  CYS A   8      -0.628   1.313  -0.397  1.00  0.00           S
ATOM      0  H   CYS A   8       0.385  -0.928   0.030  1.00  0.00           H   new
ATOM      0  HA  CYS A   8       1.471  -0.855  -2.586  1.00  0.00           H   new
ATOM      0  HB2 CYS A   8       0.324   1.428  -2.602  1.00  0.00           H   new
ATOM      0  HB3 CYS A   8      -0.664  -0.006  -2.408  1.00  0.00           H   new
ATOM    118  N   GLY A   9       2.710   1.162  -0.356  1.00  0.00           N
ATOM    119  CA  GLY A   9       3.869   1.900  -0.112  1.00  0.00           C
ATOM    120  C   GLY A   9       3.636   3.246   0.444  1.00  0.00           C
ATOM    121  O   GLY A   9       2.949   4.079  -0.147  1.00  0.00           O
ATOM      0  H   GLY A   9       2.071   1.061   0.433  1.00  0.00           H   new
ATOM      0  HA2 GLY A   9       4.501   1.341   0.578  1.00  0.00           H   new
ATOM      0  HA3 GLY A   9       4.424   1.998  -1.045  1.00  0.00           H   new
ATOM    125  N   GLY A  10       4.177   3.439   1.599  1.00  0.00           N
ATOM    126  CA  GLY A  10       4.230   4.708   2.208  1.00  0.00           C
ATOM    127  C   GLY A  10       5.562   5.319   1.810  1.00  0.00           C
ATOM    128  O   GLY A  10       6.146   4.918   0.784  1.00  0.00           O
ATOM      0  H   GLY A  10       4.603   2.695   2.152  1.00  0.00           H   new
ATOM      0  HA2 GLY A  10       3.401   5.333   1.876  1.00  0.00           H   new
ATOM      0  HA3 GLY A  10       4.150   4.622   3.292  1.00  0.00           H   new
ATOM    132  N   ILE A  11       6.046   6.244   2.582  1.00  0.00           N
ATOM    133  CA  ILE A  11       7.339   6.865   2.348  1.00  0.00           C
ATOM    134  C   ILE A  11       8.447   5.786   2.336  1.00  0.00           C
ATOM    135  O   ILE A  11       8.456   4.881   3.177  1.00  0.00           O
ATOM    136  CB  ILE A  11       7.658   7.900   3.466  1.00  0.00           C
ATOM    137  CG1 ILE A  11       6.537   8.946   3.568  1.00  0.00           C
ATOM    138  CG2 ILE A  11       9.007   8.579   3.211  1.00  0.00           C
ATOM    139  CD1 ILE A  11       6.708   9.931   4.707  1.00  0.00           C
ATOM      0  H   ILE A  11       5.559   6.601   3.404  1.00  0.00           H   new
ATOM      0  HA  ILE A  11       7.304   7.374   1.385  1.00  0.00           H   new
ATOM      0  HB  ILE A  11       7.720   7.368   4.415  1.00  0.00           H   new
ATOM      0 HG12 ILE A  11       6.484   9.498   2.630  1.00  0.00           H   new
ATOM      0 HG13 ILE A  11       5.584   8.430   3.688  1.00  0.00           H   new
ATOM      0 HG21 ILE A  11       9.208   9.298   4.005  1.00  0.00           H   new
ATOM      0 HG22 ILE A  11       9.796   7.827   3.194  1.00  0.00           H   new
ATOM      0 HG23 ILE A  11       8.978   9.096   2.252  1.00  0.00           H   new
ATOM      0 HD11 ILE A  11       5.875  10.634   4.708  1.00  0.00           H   new
ATOM      0 HD12 ILE A  11       6.729   9.392   5.654  1.00  0.00           H   new
ATOM      0 HD13 ILE A  11       7.643  10.476   4.579  1.00  0.00           H   new
ATOM    151  N   GLY A  12       9.312   5.840   1.347  1.00  0.00           N
ATOM    152  CA  GLY A  12      10.436   4.927   1.309  1.00  0.00           C
ATOM    153  C   GLY A  12      10.215   3.782   0.357  1.00  0.00           C
ATOM    154  O   GLY A  12      11.165   3.090  -0.053  1.00  0.00           O
ATOM      0  H   GLY A  12       9.262   6.496   0.568  1.00  0.00           H   new
ATOM      0  HA2 GLY A  12      11.333   5.472   1.015  1.00  0.00           H   new
ATOM      0  HA3 GLY A  12      10.615   4.534   2.310  1.00  0.00           H   new
ATOM    158  N   TYR A  13       8.983   3.572   0.001  1.00  0.00           N
ATOM    159  CA  TYR A  13       8.636   2.507  -0.884  1.00  0.00           C
ATOM    160  C   TYR A  13       8.617   3.070  -2.299  1.00  0.00           C
ATOM    161  O   TYR A  13       7.997   4.113  -2.547  1.00  0.00           O
ATOM    162  CB  TYR A  13       7.268   1.948  -0.486  1.00  0.00           C
ATOM    163  CG  TYR A  13       6.877   0.619  -1.116  1.00  0.00           C
ATOM    164  CD1 TYR A  13       6.436   0.539  -2.424  1.00  0.00           C
ATOM    165  CD2 TYR A  13       6.918  -0.552  -0.374  1.00  0.00           C
ATOM    166  CE1 TYR A  13       6.050  -0.664  -2.974  1.00  0.00           C
ATOM    167  CE2 TYR A  13       6.538  -1.759  -0.918  1.00  0.00           C
ATOM    168  CZ  TYR A  13       6.106  -1.808  -2.220  1.00  0.00           C
ATOM    169  OH  TYR A  13       5.709  -3.008  -2.769  1.00  0.00           O
ATOM      0  H   TYR A  13       8.193   4.135   0.317  1.00  0.00           H   new
ATOM      0  HA  TYR A  13       9.357   1.691  -0.831  1.00  0.00           H   new
ATOM      0  HB2 TYR A  13       7.247   1.833   0.598  1.00  0.00           H   new
ATOM      0  HB3 TYR A  13       6.508   2.686  -0.743  1.00  0.00           H   new
ATOM      0  HD1 TYR A  13       6.393   1.435  -3.025  1.00  0.00           H   new
ATOM      0  HD2 TYR A  13       7.255  -0.517   0.652  1.00  0.00           H   new
ATOM      0  HE1 TYR A  13       5.704  -0.706  -3.996  1.00  0.00           H   new
ATOM      0  HE2 TYR A  13       6.580  -2.660  -0.324  1.00  0.00           H   new
ATOM      0  HH  TYR A  13       5.811  -3.721  -2.105  1.00  0.00           H   new
ATOM    179  N   SER A  14       9.325   2.427  -3.191  1.00  0.00           N
ATOM    180  CA  SER A  14       9.419   2.875  -4.559  1.00  0.00           C
ATOM    181  C   SER A  14       9.112   1.737  -5.546  1.00  0.00           C
ATOM    182  O   SER A  14       9.413   1.831  -6.739  1.00  0.00           O
ATOM    183  CB  SER A  14      10.810   3.463  -4.790  1.00  0.00           C
ATOM    184  OG  SER A  14      11.824   2.575  -4.323  1.00  0.00           O
ATOM      0  H   SER A  14       9.853   1.578  -2.991  1.00  0.00           H   new
ATOM      0  HA  SER A  14       8.671   3.647  -4.739  1.00  0.00           H   new
ATOM      0  HB2 SER A  14      10.954   3.659  -5.853  1.00  0.00           H   new
ATOM      0  HB3 SER A  14      10.894   4.420  -4.275  1.00  0.00           H   new
ATOM      0  HG  SER A  14      12.706   2.972  -4.483  1.00  0.00           H   new
ATOM    190  N   GLY A  15       8.522   0.669  -5.041  1.00  0.00           N
ATOM    191  CA  GLY A  15       8.123  -0.444  -5.893  1.00  0.00           C
ATOM    192  C   GLY A  15       6.722  -0.220  -6.457  1.00  0.00           C
ATOM    193  O   GLY A  15       6.413   0.900  -6.898  1.00  0.00           O
ATOM      0  H   GLY A  15       8.308   0.546  -4.051  1.00  0.00           H   new
ATOM      0  HA2 GLY A  15       8.835  -0.556  -6.710  1.00  0.00           H   new
ATOM      0  HA3 GLY A  15       8.146  -1.372  -5.321  1.00  0.00           H   new
ATOM    197  N   PRO A  16       5.857  -1.255  -6.490  1.00  0.00           N
ATOM    198  CA  PRO A  16       4.461  -1.113  -6.913  1.00  0.00           C
ATOM    199  C   PRO A  16       3.669  -0.263  -5.932  1.00  0.00           C
ATOM    200  O   PRO A  16       3.141  -0.765  -4.949  1.00  0.00           O
ATOM    201  CB  PRO A  16       3.913  -2.548  -6.897  1.00  0.00           C
ATOM    202  CG  PRO A  16       5.110  -3.421  -6.882  1.00  0.00           C
ATOM    203  CD  PRO A  16       6.169  -2.648  -6.146  1.00  0.00           C
ATOM      0  HA  PRO A  16       4.384  -0.627  -7.886  1.00  0.00           H   new
ATOM      0  HB2 PRO A  16       3.288  -2.721  -6.021  1.00  0.00           H   new
ATOM      0  HB3 PRO A  16       3.294  -2.743  -7.773  1.00  0.00           H   new
ATOM      0  HG2 PRO A  16       4.898  -4.367  -6.383  1.00  0.00           H   new
ATOM      0  HG3 PRO A  16       5.433  -3.660  -7.895  1.00  0.00           H   new
ATOM      0  HD2 PRO A  16       6.120  -2.819  -5.071  1.00  0.00           H   new
ATOM      0  HD3 PRO A  16       7.172  -2.929  -6.468  1.00  0.00           H   new
ATOM    211  N   THR A  17       3.626   1.020  -6.187  1.00  0.00           N
ATOM    212  CA  THR A  17       2.927   1.941  -5.334  1.00  0.00           C
ATOM    213  C   THR A  17       1.477   2.098  -5.762  1.00  0.00           C
ATOM    214  O   THR A  17       0.699   2.851  -5.162  1.00  0.00           O
ATOM    215  CB  THR A  17       3.658   3.293  -5.287  1.00  0.00           C
ATOM    216  OG1 THR A  17       4.168   3.612  -6.598  1.00  0.00           O
ATOM    217  CG2 THR A  17       4.804   3.248  -4.294  1.00  0.00           C
ATOM      0  H   THR A  17       4.076   1.454  -6.993  1.00  0.00           H   new
ATOM      0  HA  THR A  17       2.918   1.532  -4.324  1.00  0.00           H   new
ATOM      0  HB  THR A  17       2.952   4.060  -4.969  1.00  0.00           H   new
ATOM      0  HG1 THR A  17       4.632   4.475  -6.567  1.00  0.00           H   new
ATOM      0 HG21 THR A  17       5.308   4.214  -4.276  1.00  0.00           H   new
ATOM      0 HG22 THR A  17       4.416   3.023  -3.301  1.00  0.00           H   new
ATOM      0 HG23 THR A  17       5.512   2.475  -4.591  1.00  0.00           H   new
ATOM    225  N   VAL A  18       1.122   1.386  -6.799  1.00  0.00           N
ATOM    226  CA  VAL A  18      -0.218   1.364  -7.289  1.00  0.00           C
ATOM    227  C   VAL A  18      -0.827   0.024  -6.909  1.00  0.00           C
ATOM    228  O   VAL A  18      -0.214  -1.032  -7.133  1.00  0.00           O
ATOM    229  CB  VAL A  18      -0.262   1.552  -8.833  1.00  0.00           C
ATOM    230  CG1 VAL A  18      -1.698   1.573  -9.348  1.00  0.00           C
ATOM    231  CG2 VAL A  18       0.461   2.827  -9.243  1.00  0.00           C
ATOM      0  H   VAL A  18       1.768   0.801  -7.329  1.00  0.00           H   new
ATOM      0  HA  VAL A  18      -0.781   2.187  -6.849  1.00  0.00           H   new
ATOM      0  HB  VAL A  18       0.249   0.700  -9.282  1.00  0.00           H   new
ATOM      0 HG11 VAL A  18      -1.695   1.706 -10.430  1.00  0.00           H   new
ATOM      0 HG12 VAL A  18      -2.187   0.631  -9.099  1.00  0.00           H   new
ATOM      0 HG13 VAL A  18      -2.239   2.397  -8.883  1.00  0.00           H   new
ATOM      0 HG21 VAL A  18       0.417   2.938 -10.326  1.00  0.00           H   new
ATOM      0 HG22 VAL A  18      -0.018   3.685  -8.771  1.00  0.00           H   new
ATOM      0 HG23 VAL A  18       1.502   2.773  -8.925  1.00  0.00           H   new
ATOM    241  N   CYS A  19      -1.971   0.060  -6.306  1.00  0.00           N
ATOM    242  CA  CYS A  19      -2.658  -1.140  -5.904  1.00  0.00           C
ATOM    243  C   CYS A  19      -3.375  -1.760  -7.082  1.00  0.00           C
ATOM    244  O   CYS A  19      -3.678  -1.071  -8.068  1.00  0.00           O
ATOM    245  CB  CYS A  19      -3.640  -0.833  -4.789  1.00  0.00           C
ATOM    246  SG  CYS A  19      -2.850  -0.220  -3.277  1.00  0.00           S
ATOM      0  H   CYS A  19      -2.463   0.923  -6.074  1.00  0.00           H   new
ATOM      0  HA  CYS A  19      -1.922  -1.854  -5.535  1.00  0.00           H   new
ATOM      0  HB2 CYS A  19      -4.357  -0.091  -5.141  1.00  0.00           H   new
ATOM      0  HB3 CYS A  19      -4.204  -1.735  -4.554  1.00  0.00           H   new
ATOM    251  N   ALA A  20      -3.611  -3.056  -6.999  1.00  0.00           N
ATOM    252  CA  ALA A  20      -4.311  -3.790  -8.035  1.00  0.00           C
ATOM    253  C   ALA A  20      -5.747  -3.290  -8.181  1.00  0.00           C
ATOM    254  O   ALA A  20      -6.302  -2.663  -7.248  1.00  0.00           O
ATOM    255  CB  ALA A  20      -4.291  -5.282  -7.732  1.00  0.00           C
ATOM      0  H   ALA A  20      -3.321  -3.631  -6.208  1.00  0.00           H   new
ATOM      0  HA  ALA A  20      -3.797  -3.621  -8.981  1.00  0.00           H   new
ATOM      0  HB1 ALA A  20      -4.820  -5.820  -8.518  1.00  0.00           H   new
ATOM      0  HB2 ALA A  20      -3.259  -5.630  -7.685  1.00  0.00           H   new
ATOM      0  HB3 ALA A  20      -4.779  -5.465  -6.775  1.00  0.00           H   new
ATOM    261  N   SER A  21      -6.326  -3.569  -9.331  1.00  0.00           N
ATOM    262  CA  SER A  21      -7.663  -3.147  -9.688  1.00  0.00           C
ATOM    263  C   SER A  21      -8.686  -3.479  -8.594  1.00  0.00           C
ATOM    264  O   SER A  21      -8.855  -4.654  -8.213  1.00  0.00           O
ATOM    265  CB  SER A  21      -8.054  -3.847 -10.980  1.00  0.00           C
ATOM    266  OG  SER A  21      -7.057  -3.655 -11.978  1.00  0.00           O
ATOM      0  H   SER A  21      -5.866  -4.111 -10.063  1.00  0.00           H   new
ATOM      0  HA  SER A  21      -7.663  -2.064  -9.811  1.00  0.00           H   new
ATOM      0  HB2 SER A  21      -8.190  -4.913 -10.795  1.00  0.00           H   new
ATOM      0  HB3 SER A  21      -9.009  -3.460 -11.334  1.00  0.00           H   new
ATOM      0  HG  SER A  21      -7.325  -4.114 -12.801  1.00  0.00           H   new
ATOM    272  N   GLY A  22      -9.302  -2.448  -8.052  1.00  0.00           N
ATOM    273  CA  GLY A  22     -10.349  -2.626  -7.090  1.00  0.00           C
ATOM    274  C   GLY A  22      -9.932  -2.294  -5.677  1.00  0.00           C
ATOM    275  O   GLY A  22     -10.780  -2.170  -4.794  1.00  0.00           O
ATOM      0  H   GLY A  22      -9.087  -1.475  -8.269  1.00  0.00           H   new
ATOM      0  HA2 GLY A  22     -11.196  -1.999  -7.367  1.00  0.00           H   new
ATOM      0  HA3 GLY A  22     -10.692  -3.660  -7.126  1.00  0.00           H   new
ATOM    279  N   THR A  23      -8.655  -2.129  -5.445  1.00  0.00           N
ATOM    280  CA  THR A  23      -8.187  -1.887  -4.096  1.00  0.00           C
ATOM    281  C   THR A  23      -7.671  -0.461  -3.921  1.00  0.00           C
ATOM    282  O   THR A  23      -7.249   0.188  -4.904  1.00  0.00           O
ATOM    283  CB  THR A  23      -7.118  -2.923  -3.680  1.00  0.00           C
ATOM    284  OG1 THR A  23      -6.004  -2.894  -4.578  1.00  0.00           O
ATOM    285  CG2 THR A  23      -7.712  -4.314  -3.693  1.00  0.00           C
ATOM      0  H   THR A  23      -7.926  -2.156  -6.158  1.00  0.00           H   new
ATOM      0  HA  THR A  23      -9.043  -2.004  -3.432  1.00  0.00           H   new
ATOM      0  HB  THR A  23      -6.779  -2.669  -2.676  1.00  0.00           H   new
ATOM      0  HG1 THR A  23      -6.323  -3.000  -5.499  1.00  0.00           H   new
ATOM      0 HG21 THR A  23      -6.951  -5.037  -3.399  1.00  0.00           H   new
ATOM      0 HG22 THR A  23      -8.546  -4.360  -2.993  1.00  0.00           H   new
ATOM      0 HG23 THR A  23      -8.067  -4.549  -4.697  1.00  0.00           H   new
ATOM    293  N   THR A  24      -7.729   0.044  -2.702  1.00  0.00           N
ATOM    294  CA  THR A  24      -7.277   1.383  -2.419  1.00  0.00           C
ATOM    295  C   THR A  24      -6.031   1.374  -1.554  1.00  0.00           C
ATOM    296  O   THR A  24      -5.913   0.560  -0.634  1.00  0.00           O
ATOM    297  CB  THR A  24      -8.386   2.234  -1.741  1.00  0.00           C
ATOM    298  OG1 THR A  24      -8.891   1.583  -0.546  1.00  0.00           O
ATOM    299  CG2 THR A  24      -9.530   2.491  -2.701  1.00  0.00           C
ATOM      0  H   THR A  24      -8.088  -0.461  -1.892  1.00  0.00           H   new
ATOM      0  HA  THR A  24      -7.033   1.841  -3.378  1.00  0.00           H   new
ATOM      0  HB  THR A  24      -7.938   3.186  -1.457  1.00  0.00           H   new
ATOM      0  HG1 THR A  24      -9.160   0.666  -0.762  1.00  0.00           H   new
ATOM      0 HG21 THR A  24     -10.294   3.089  -2.204  1.00  0.00           H   new
ATOM      0 HG22 THR A  24      -9.159   3.029  -3.573  1.00  0.00           H   new
ATOM      0 HG23 THR A  24      -9.961   1.541  -3.017  1.00  0.00           H   new
ATOM    307  N   CYS A  25      -5.107   2.252  -1.852  1.00  0.00           N
ATOM    308  CA  CYS A  25      -3.910   2.370  -1.070  1.00  0.00           C
ATOM    309  C   CYS A  25      -4.191   3.263   0.110  1.00  0.00           C
ATOM    310  O   CYS A  25      -4.379   4.475  -0.033  1.00  0.00           O
ATOM    311  CB  CYS A  25      -2.747   2.931  -1.895  1.00  0.00           C
ATOM    312  SG  CYS A  25      -1.197   3.184  -0.948  1.00  0.00           S
ATOM      0  H   CYS A  25      -5.165   2.899  -2.638  1.00  0.00           H   new
ATOM      0  HA  CYS A  25      -3.614   1.378  -0.730  1.00  0.00           H   new
ATOM      0  HB2 CYS A  25      -2.545   2.252  -2.724  1.00  0.00           H   new
ATOM      0  HB3 CYS A  25      -3.052   3.883  -2.330  1.00  0.00           H   new
ATOM    317  N   GLN A  26      -4.277   2.672   1.250  1.00  0.00           N
ATOM    318  CA  GLN A  26      -4.554   3.379   2.453  1.00  0.00           C
ATOM    319  C   GLN A  26      -3.281   3.524   3.240  1.00  0.00           C
ATOM    320  O   GLN A  26      -2.673   2.524   3.661  1.00  0.00           O
ATOM    321  CB  GLN A  26      -5.633   2.638   3.238  1.00  0.00           C
ATOM    322  CG  GLN A  26      -6.956   2.585   2.485  1.00  0.00           C
ATOM    323  CD  GLN A  26      -8.003   1.692   3.118  1.00  0.00           C
ATOM    324  OE1 GLN A  26      -8.040   1.488   4.342  1.00  0.00           O
ATOM    325  NE2 GLN A  26      -8.873   1.160   2.301  1.00  0.00           N
ATOM      0  H   GLN A  26      -4.155   1.667   1.376  1.00  0.00           H   new
ATOM      0  HA  GLN A  26      -4.931   4.378   2.236  1.00  0.00           H   new
ATOM      0  HB2 GLN A  26      -5.295   1.623   3.448  1.00  0.00           H   new
ATOM      0  HB3 GLN A  26      -5.783   3.129   4.199  1.00  0.00           H   new
ATOM      0  HG2 GLN A  26      -7.357   3.596   2.408  1.00  0.00           H   new
ATOM      0  HG3 GLN A  26      -6.768   2.239   1.469  1.00  0.00           H   new
ATOM      0 HE21 GLN A  26      -8.814   1.348   1.300  1.00  0.00           H   new
ATOM      0 HE22 GLN A  26      -9.611   0.557   2.664  1.00  0.00           H   new
ATOM    334  N   VAL A  27      -2.844   4.748   3.398  1.00  0.00           N
ATOM    335  CA  VAL A  27      -1.636   5.029   4.119  1.00  0.00           C
ATOM    336  C   VAL A  27      -1.960   5.020   5.608  1.00  0.00           C
ATOM    337  O   VAL A  27      -2.575   5.945   6.137  1.00  0.00           O
ATOM    338  CB  VAL A  27      -0.983   6.381   3.662  1.00  0.00           C
ATOM    339  CG1 VAL A  27       0.329   6.644   4.363  1.00  0.00           C
ATOM    340  CG2 VAL A  27      -0.797   6.407   2.149  1.00  0.00           C
ATOM      0  H   VAL A  27      -3.317   5.573   3.030  1.00  0.00           H   new
ATOM      0  HA  VAL A  27      -0.893   4.261   3.906  1.00  0.00           H   new
ATOM      0  HB  VAL A  27      -1.668   7.180   3.945  1.00  0.00           H   new
ATOM      0 HG11 VAL A  27       0.744   7.590   4.015  1.00  0.00           H   new
ATOM      0 HG12 VAL A  27       0.163   6.694   5.439  1.00  0.00           H   new
ATOM      0 HG13 VAL A  27       1.028   5.838   4.141  1.00  0.00           H   new
ATOM      0 HG21 VAL A  27      -0.343   7.353   1.854  1.00  0.00           H   new
ATOM      0 HG22 VAL A  27      -0.149   5.584   1.848  1.00  0.00           H   new
ATOM      0 HG23 VAL A  27      -1.766   6.302   1.661  1.00  0.00           H   new
ATOM    350  N   LEU A  28      -1.621   3.930   6.250  1.00  0.00           N
ATOM    351  CA  LEU A  28      -1.924   3.717   7.656  1.00  0.00           C
ATOM    352  C   LEU A  28      -0.915   4.452   8.502  1.00  0.00           C
ATOM    353  O   LEU A  28      -1.256   5.254   9.364  1.00  0.00           O
ATOM    354  CB  LEU A  28      -1.892   2.212   7.962  1.00  0.00           C
ATOM    355  CG  LEU A  28      -2.852   1.344   7.134  1.00  0.00           C
ATOM    356  CD1 LEU A  28      -2.686  -0.114   7.471  1.00  0.00           C
ATOM    357  CD2 LEU A  28      -4.273   1.756   7.370  1.00  0.00           C
ATOM      0  H   LEU A  28      -1.122   3.155   5.814  1.00  0.00           H   new
ATOM      0  HA  LEU A  28      -2.919   4.100   7.885  1.00  0.00           H   new
ATOM      0  HB2 LEU A  28      -0.876   1.849   7.805  1.00  0.00           H   new
ATOM      0  HB3 LEU A  28      -2.122   2.070   9.018  1.00  0.00           H   new
ATOM      0  HG  LEU A  28      -2.608   1.491   6.082  1.00  0.00           H   new
ATOM      0 HD11 LEU A  28      -3.377  -0.707   6.871  1.00  0.00           H   new
ATOM      0 HD12 LEU A  28      -1.663  -0.423   7.257  1.00  0.00           H   new
ATOM      0 HD13 LEU A  28      -2.898  -0.269   8.529  1.00  0.00           H   new
ATOM      0 HD21 LEU A  28      -4.937   1.129   6.775  1.00  0.00           H   new
ATOM      0 HD22 LEU A  28      -4.515   1.640   8.426  1.00  0.00           H   new
ATOM      0 HD23 LEU A  28      -4.402   2.799   7.081  1.00  0.00           H   new
ATOM    369  N   ASN A  29       0.318   4.192   8.208  1.00  0.00           N
ATOM    370  CA  ASN A  29       1.439   4.817   8.853  1.00  0.00           C
ATOM    371  C   ASN A  29       2.164   5.535   7.748  1.00  0.00           C
ATOM    372  O   ASN A  29       1.879   5.242   6.592  1.00  0.00           O
ATOM    373  CB  ASN A  29       2.366   3.766   9.477  1.00  0.00           C
ATOM    374  CG  ASN A  29       1.742   2.924  10.555  1.00  0.00           C
ATOM    375  OD1 ASN A  29       1.234   1.775  10.183  1.00  0.00           O   flip
ATOM    376  ND2 ASN A  29       1.757   3.288  11.723  1.00  0.00           N   flip
ATOM      0  H   ASN A  29       0.586   3.518   7.491  1.00  0.00           H   new
ATOM      0  HA  ASN A  29       1.123   5.482   9.657  1.00  0.00           H   new
ATOM      0  HB2 ASN A  29       2.727   3.108   8.687  1.00  0.00           H   new
ATOM      0  HB3 ASN A  29       3.237   4.273   9.892  1.00  0.00           H   new
ATOM      0 HD21 ASN A  29       2.162   4.191  11.971  1.00  0.00           H   new
ATOM      0 HD22 ASN A  29       1.364   2.689  12.449  1.00  0.00           H   new
ATOM    383  N   PRO A  30       3.130   6.433   8.023  1.00  0.00           N
ATOM    384  CA  PRO A  30       3.783   7.192   6.959  1.00  0.00           C
ATOM    385  C   PRO A  30       4.521   6.294   5.975  1.00  0.00           C
ATOM    386  O   PRO A  30       4.592   6.597   4.796  1.00  0.00           O
ATOM    387  CB  PRO A  30       4.785   8.087   7.686  1.00  0.00           C
ATOM    388  CG  PRO A  30       4.343   8.097   9.111  1.00  0.00           C
ATOM    389  CD  PRO A  30       3.678   6.776   9.350  1.00  0.00           C
ATOM      0  HA  PRO A  30       3.051   7.744   6.370  1.00  0.00           H   new
ATOM      0  HB2 PRO A  30       5.799   7.699   7.592  1.00  0.00           H   new
ATOM      0  HB3 PRO A  30       4.788   9.094   7.268  1.00  0.00           H   new
ATOM      0  HG2 PRO A  30       5.192   8.233   9.781  1.00  0.00           H   new
ATOM      0  HG3 PRO A  30       3.653   8.920   9.299  1.00  0.00           H   new
ATOM      0  HD2 PRO A  30       4.387   6.025   9.700  1.00  0.00           H   new
ATOM      0  HD3 PRO A  30       2.894   6.850  10.103  1.00  0.00           H   new
ATOM    397  N   TYR A  31       5.053   5.184   6.464  1.00  0.00           N
ATOM    398  CA  TYR A  31       5.816   4.290   5.623  1.00  0.00           C
ATOM    399  C   TYR A  31       5.004   3.023   5.295  1.00  0.00           C
ATOM    400  O   TYR A  31       5.231   2.373   4.263  1.00  0.00           O
ATOM    401  CB  TYR A  31       7.127   3.913   6.321  1.00  0.00           C
ATOM    402  CG  TYR A  31       7.958   5.094   6.813  1.00  0.00           C
ATOM    403  CD1 TYR A  31       8.969   5.620   6.036  1.00  0.00           C
ATOM    404  CD2 TYR A  31       7.729   5.673   8.064  1.00  0.00           C
ATOM    405  CE1 TYR A  31       9.730   6.678   6.469  1.00  0.00           C
ATOM    406  CE2 TYR A  31       8.490   6.737   8.504  1.00  0.00           C
ATOM    407  CZ  TYR A  31       9.490   7.234   7.699  1.00  0.00           C
ATOM    408  OH  TYR A  31      10.259   8.290   8.131  1.00  0.00           O
ATOM      0  H   TYR A  31       4.968   4.886   7.436  1.00  0.00           H   new
ATOM      0  HA  TYR A  31       6.043   4.801   4.687  1.00  0.00           H   new
ATOM      0  HB2 TYR A  31       6.897   3.271   7.171  1.00  0.00           H   new
ATOM      0  HB3 TYR A  31       7.732   3.324   5.631  1.00  0.00           H   new
ATOM      0  HD1 TYR A  31       9.167   5.190   5.065  1.00  0.00           H   new
ATOM      0  HD2 TYR A  31       6.945   5.282   8.696  1.00  0.00           H   new
ATOM      0  HE1 TYR A  31      10.516   7.071   5.842  1.00  0.00           H   new
ATOM      0  HE2 TYR A  31       8.302   7.176   9.473  1.00  0.00           H   new
ATOM      0  HH  TYR A  31       9.961   8.569   9.022  1.00  0.00           H   new
ATOM    418  N   TYR A  32       4.034   2.695   6.137  1.00  0.00           N
ATOM    419  CA  TYR A  32       3.202   1.527   5.901  1.00  0.00           C
ATOM    420  C   TYR A  32       1.866   1.928   5.331  1.00  0.00           C
ATOM    421  O   TYR A  32       1.047   2.565   5.995  1.00  0.00           O
ATOM    422  CB  TYR A  32       2.983   0.693   7.177  1.00  0.00           C
ATOM    423  CG  TYR A  32       2.166  -0.584   6.952  1.00  0.00           C
ATOM    424  CD1 TYR A  32       0.904  -0.759   7.531  1.00  0.00           C
ATOM    425  CD2 TYR A  32       2.663  -1.615   6.160  1.00  0.00           C
ATOM    426  CE1 TYR A  32       0.183  -1.923   7.323  1.00  0.00           C
ATOM    427  CE2 TYR A  32       1.937  -2.776   5.950  1.00  0.00           C
ATOM    428  CZ  TYR A  32       0.699  -2.921   6.538  1.00  0.00           C
ATOM    429  OH  TYR A  32      -0.037  -4.080   6.337  1.00  0.00           O
ATOM      0  H   TYR A  32       3.806   3.217   6.983  1.00  0.00           H   new
ATOM      0  HA  TYR A  32       3.738   0.907   5.182  1.00  0.00           H   new
ATOM      0  HB2 TYR A  32       3.953   0.423   7.594  1.00  0.00           H   new
ATOM      0  HB3 TYR A  32       2.477   1.310   7.920  1.00  0.00           H   new
ATOM      0  HD1 TYR A  32       0.487   0.023   8.148  1.00  0.00           H   new
ATOM      0  HD2 TYR A  32       3.634  -1.508   5.700  1.00  0.00           H   new
ATOM      0  HE1 TYR A  32      -0.788  -2.045   7.780  1.00  0.00           H   new
ATOM      0  HE2 TYR A  32       2.339  -3.563   5.329  1.00  0.00           H   new
ATOM      0  HH  TYR A  32       0.465  -4.690   5.757  1.00  0.00           H   new
ATOM    439  N   SER A  33       1.641   1.537   4.135  1.00  0.00           N
ATOM    440  CA  SER A  33       0.413   1.777   3.461  1.00  0.00           C
ATOM    441  C   SER A  33      -0.031   0.445   2.913  1.00  0.00           C
ATOM    442  O   SER A  33       0.816  -0.353   2.522  1.00  0.00           O
ATOM    443  CB  SER A  33       0.654   2.785   2.357  1.00  0.00           C
ATOM    444  OG  SER A  33       1.281   3.936   2.886  1.00  0.00           O
ATOM      0  H   SER A  33       2.324   1.025   3.576  1.00  0.00           H   new
ATOM      0  HA  SER A  33      -0.357   2.186   4.115  1.00  0.00           H   new
ATOM      0  HB2 SER A  33       1.279   2.344   1.580  1.00  0.00           H   new
ATOM      0  HB3 SER A  33      -0.292   3.058   1.889  1.00  0.00           H   new
ATOM      0  HG  SER A  33       1.565   4.520   2.152  1.00  0.00           H   new
ATOM    450  N   GLN A  34      -1.297   0.180   2.905  1.00  0.00           N
ATOM    451  CA  GLN A  34      -1.762  -1.117   2.500  1.00  0.00           C
ATOM    452  C   GLN A  34      -2.880  -0.987   1.480  1.00  0.00           C
ATOM    453  O   GLN A  34      -3.617  -0.002   1.485  1.00  0.00           O
ATOM    454  CB  GLN A  34      -2.216  -1.899   3.741  1.00  0.00           C
ATOM    455  CG  GLN A  34      -2.552  -3.355   3.489  1.00  0.00           C
ATOM    456  CD  GLN A  34      -2.891  -4.097   4.757  1.00  0.00           C
ATOM    457  OE1 GLN A  34      -3.404  -3.527   5.706  1.00  0.00           O
ATOM    458  NE2 GLN A  34      -2.573  -5.354   4.798  1.00  0.00           N
ATOM      0  H   GLN A  34      -2.029   0.838   3.172  1.00  0.00           H   new
ATOM      0  HA  GLN A  34      -0.951  -1.666   2.021  1.00  0.00           H   new
ATOM      0  HB2 GLN A  34      -1.429  -1.848   4.493  1.00  0.00           H   new
ATOM      0  HB3 GLN A  34      -3.092  -1.407   4.163  1.00  0.00           H   new
ATOM      0  HG2 GLN A  34      -3.394  -3.416   2.800  1.00  0.00           H   new
ATOM      0  HG3 GLN A  34      -1.706  -3.841   3.003  1.00  0.00           H   new
ATOM      0 HE21 GLN A  34      -2.145  -5.799   3.986  1.00  0.00           H   new
ATOM      0 HE22 GLN A  34      -2.751  -5.898   5.643  1.00  0.00           H   new
ATOM    467  N   CYS A  35      -2.967  -1.947   0.594  1.00  0.00           N
ATOM    468  CA  CYS A  35      -4.001  -1.975  -0.411  1.00  0.00           C
ATOM    469  C   CYS A  35      -5.216  -2.698   0.122  1.00  0.00           C
ATOM    470  O   CYS A  35      -5.196  -3.928   0.284  1.00  0.00           O
ATOM    471  CB  CYS A  35      -3.503  -2.680  -1.673  1.00  0.00           C
ATOM    472  SG  CYS A  35      -2.066  -1.893  -2.442  1.00  0.00           S
ATOM      0  H   CYS A  35      -2.320  -2.735   0.549  1.00  0.00           H   new
ATOM      0  HA  CYS A  35      -4.267  -0.948  -0.661  1.00  0.00           H   new
ATOM      0  HB2 CYS A  35      -3.249  -3.711  -1.424  1.00  0.00           H   new
ATOM      0  HB3 CYS A  35      -4.315  -2.718  -2.399  1.00  0.00           H   new
ATOM    477  N   LEU A  36      -6.239  -1.958   0.423  1.00  0.00           N
ATOM    478  CA  LEU A  36      -7.471  -2.506   0.902  1.00  0.00           C
ATOM    479  C   LEU A  36      -8.532  -2.244  -0.125  1.00  0.00           C
ATOM    480  O   LEU A  36      -9.024  -3.202  -0.728  1.00  0.00           O
ATOM    481  CB  LEU A  36      -7.902  -1.944   2.275  1.00  0.00           C
ATOM    482  CG  LEU A  36      -7.007  -2.239   3.496  1.00  0.00           C
ATOM    483  CD1 LEU A  36      -6.635  -3.704   3.595  1.00  0.00           C
ATOM    484  CD2 LEU A  36      -5.791  -1.341   3.552  1.00  0.00           C
ATOM    485  OXT LEU A  36      -8.817  -1.063  -0.403  1.00  0.00           O
ATOM      0  H   LEU A  36      -6.241  -0.941   0.342  1.00  0.00           H   new
ATOM      0  HA  LEU A  36      -7.325  -3.576   1.054  1.00  0.00           H   new
ATOM      0  HB2 LEU A  36      -7.989  -0.862   2.179  1.00  0.00           H   new
ATOM      0  HB3 LEU A  36      -8.899  -2.326   2.493  1.00  0.00           H   new
ATOM      0  HG  LEU A  36      -7.606  -2.006   4.376  1.00  0.00           H   new
ATOM      0 HD11 LEU A  36      -6.005  -3.861   4.470  1.00  0.00           H   new
ATOM      0 HD12 LEU A  36      -7.540  -4.304   3.688  1.00  0.00           H   new
ATOM      0 HD13 LEU A  36      -6.092  -4.003   2.698  1.00  0.00           H   new
ATOM      0 HD21 LEU A  36      -5.195  -1.590   4.430  1.00  0.00           H   new
ATOM      0 HD22 LEU A  36      -5.191  -1.485   2.653  1.00  0.00           H   new
ATOM      0 HD23 LEU A  36      -6.110  -0.300   3.613  1.00  0.00           H   new