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  32 TYR OH  :   rot  180:sc=       0
USER  MOD Set 1.2: A  34 GLN     :      amide:sc=   0.908  K(o=0.91,f=-0.87)
USER  MOD Set 2.1: A  24 THR OG1 :   rot  -53:sc=    1.48
USER  MOD Set 2.2: A  26 GLN     :      amide:sc=   0.304  K(o=1.8,f=-0.051)
USER  MOD Set 3.1: A   2 GLN     :      amide:sc=   -1.62! C(o=-1.7!,f=-2.9!)
USER  MOD Set 3.2: A  13 TYR OH  :   rot  104:sc= -0.0585
USER  MOD Single : A   3 SER OG  :   rot  180:sc=       0
USER  MOD Single : A   4 HIS     :     no HD1:sc=  -0.175  X(o=-0.18,f=0.021)
USER  MOD Single : A   5 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A   7 GLN     :FLIP  amide:sc=   -0.43  F(o=-1.3!,f=-0.43)
USER  MOD Single : A  14 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  17 THR OG1 :   rot  180:sc=  0.0813
USER  MOD Single : A  21 SER OG  :   rot  180:sc=  0.0023
USER  MOD Single : A  23 THR OG1 :   rot  -54:sc=  -0.591!
USER  MOD Single : A  29 ASN     :FLIP  amide:sc=-0.00871  F(o=-1.3!,f=-0.0087)
USER  MOD Single : A  31 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  33 SER OG  :   rot   -8:sc=   -1.39
USER  MOD -----------------------------------------------------------------
ATOM     17  N   GLN A   2       0.710  -3.944  -6.713  1.00  0.00           N
ATOM     18  CA  GLN A   2       0.618  -4.533  -5.393  1.00  0.00           C
ATOM     19  C   GLN A   2      -0.727  -5.236  -5.223  1.00  0.00           C
ATOM     20  O   GLN A   2      -1.780  -4.694  -5.606  1.00  0.00           O
ATOM     21  CB  GLN A   2       0.796  -3.481  -4.301  1.00  0.00           C
ATOM     22  CG  GLN A   2       0.957  -4.113  -2.940  1.00  0.00           C
ATOM     23  CD  GLN A   2       2.249  -4.913  -2.827  1.00  0.00           C
ATOM     24  OE1 GLN A   2       3.267  -4.560  -3.406  1.00  0.00           O
ATOM     25  NE2 GLN A   2       2.181  -6.052  -2.202  1.00  0.00           N
ATOM      0  HA  GLN A   2       1.422  -5.262  -5.296  1.00  0.00           H   new
ATOM      0  HB2 GLN A   2       1.670  -2.869  -4.524  1.00  0.00           H   new
ATOM      0  HB3 GLN A   2      -0.066  -2.814  -4.293  1.00  0.00           H   new
ATOM      0  HG2 GLN A   2       0.945  -3.335  -2.176  1.00  0.00           H   new
ATOM      0  HG3 GLN A   2       0.108  -4.767  -2.742  1.00  0.00           H   new
ATOM      0 HE21 GLN A   2       1.320  -6.322  -1.727  1.00  0.00           H   new
ATOM      0 HE22 GLN A   2       2.989  -6.675  -2.187  1.00  0.00           H   new
ATOM     34  N   SER A   3      -0.683  -6.438  -4.685  1.00  0.00           N
ATOM     35  CA  SER A   3      -1.861  -7.237  -4.436  1.00  0.00           C
ATOM     36  C   SER A   3      -2.677  -6.706  -3.230  1.00  0.00           C
ATOM     37  O   SER A   3      -2.196  -5.874  -2.438  1.00  0.00           O
ATOM     38  CB  SER A   3      -1.420  -8.675  -4.179  1.00  0.00           C
ATOM     39  OG  SER A   3      -0.602  -9.148  -5.245  1.00  0.00           O
ATOM      0  H   SER A   3       0.186  -6.892  -4.405  1.00  0.00           H   new
ATOM      0  HA  SER A   3      -2.512  -7.184  -5.309  1.00  0.00           H   new
ATOM      0  HB2 SER A   3      -0.870  -8.730  -3.240  1.00  0.00           H   new
ATOM      0  HB3 SER A   3      -2.295  -9.316  -4.073  1.00  0.00           H   new
ATOM      0  HG  SER A   3      -0.327 -10.071  -5.062  1.00  0.00           H   new
ATOM     45  N   HIS A   4      -3.907  -7.196  -3.108  1.00  0.00           N
ATOM     46  CA  HIS A   4      -4.819  -6.840  -2.022  1.00  0.00           C
ATOM     47  C   HIS A   4      -4.181  -7.241  -0.683  1.00  0.00           C
ATOM     48  O   HIS A   4      -3.624  -8.335  -0.566  1.00  0.00           O
ATOM     49  CB  HIS A   4      -6.168  -7.577  -2.236  1.00  0.00           C
ATOM     50  CG  HIS A   4      -7.316  -7.171  -1.329  1.00  0.00           C
ATOM     51  ND1 HIS A   4      -8.495  -7.877  -1.251  1.00  0.00           N
ATOM     52  CD2 HIS A   4      -7.477  -6.104  -0.508  1.00  0.00           C
ATOM     53  CE1 HIS A   4      -9.324  -7.266  -0.432  1.00  0.00           C
ATOM     54  NE2 HIS A   4      -8.725  -6.193   0.031  1.00  0.00           N
ATOM      0  H   HIS A   4      -4.306  -7.862  -3.770  1.00  0.00           H   new
ATOM      0  HA  HIS A   4      -5.005  -5.766  -2.012  1.00  0.00           H   new
ATOM      0  HB2 HIS A   4      -6.480  -7.424  -3.269  1.00  0.00           H   new
ATOM      0  HB3 HIS A   4      -5.996  -8.646  -2.110  1.00  0.00           H   new
ATOM      0  HD2 HIS A   4      -6.751  -5.328  -0.317  1.00  0.00           H   new
ATOM      0  HE1 HIS A   4     -10.324  -7.591  -0.184  1.00  0.00           H   new
ATOM      0  HE2 HIS A   4      -9.131  -5.530   0.691  1.00  0.00           H   new
ATOM     63  N   TYR A   5      -4.234  -6.324   0.285  1.00  0.00           N
ATOM     64  CA  TYR A   5      -3.657  -6.478   1.637  1.00  0.00           C
ATOM     65  C   TYR A   5      -2.145  -6.342   1.630  1.00  0.00           C
ATOM     66  O   TYR A   5      -1.490  -6.562   2.650  1.00  0.00           O
ATOM     67  CB  TYR A   5      -4.080  -7.778   2.356  1.00  0.00           C
ATOM     68  CG  TYR A   5      -5.546  -7.858   2.704  1.00  0.00           C
ATOM     69  CD1 TYR A   5      -6.416  -8.619   1.942  1.00  0.00           C
ATOM     70  CD2 TYR A   5      -6.056  -7.175   3.800  1.00  0.00           C
ATOM     71  CE1 TYR A   5      -7.751  -8.703   2.260  1.00  0.00           C
ATOM     72  CE2 TYR A   5      -7.396  -7.252   4.124  1.00  0.00           C
ATOM     73  CZ  TYR A   5      -8.239  -8.019   3.350  1.00  0.00           C
ATOM     74  OH  TYR A   5      -9.576  -8.106   3.667  1.00  0.00           O
ATOM      0  H   TYR A   5      -4.693  -5.422   0.153  1.00  0.00           H   new
ATOM      0  HA  TYR A   5      -4.079  -5.655   2.214  1.00  0.00           H   new
ATOM      0  HB2 TYR A   5      -3.824  -8.627   1.722  1.00  0.00           H   new
ATOM      0  HB3 TYR A   5      -3.497  -7.877   3.272  1.00  0.00           H   new
ATOM      0  HD1 TYR A   5      -6.040  -9.156   1.084  1.00  0.00           H   new
ATOM      0  HD2 TYR A   5      -5.395  -6.575   4.408  1.00  0.00           H   new
ATOM      0  HE1 TYR A   5      -8.415  -9.304   1.656  1.00  0.00           H   new
ATOM      0  HE2 TYR A   5      -7.781  -6.715   4.978  1.00  0.00           H   new
ATOM      0  HH  TYR A   5      -9.759  -7.566   4.464  1.00  0.00           H   new
ATOM     84  N   GLY A   6      -1.606  -5.933   0.513  1.00  0.00           N
ATOM     85  CA  GLY A   6      -0.195  -5.733   0.416  1.00  0.00           C
ATOM     86  C   GLY A   6       0.167  -4.301   0.666  1.00  0.00           C
ATOM     87  O   GLY A   6      -0.719  -3.443   0.744  1.00  0.00           O
ATOM      0  H   GLY A   6      -2.128  -5.733  -0.340  1.00  0.00           H   new
ATOM      0  HA2 GLY A   6       0.316  -6.371   1.137  1.00  0.00           H   new
ATOM      0  HA3 GLY A   6       0.150  -6.031  -0.574  1.00  0.00           H   new
ATOM     91  N   GLN A   7       1.434  -4.036   0.794  1.00  0.00           N
ATOM     92  CA  GLN A   7       1.912  -2.709   1.045  1.00  0.00           C
ATOM     93  C   GLN A   7       2.146  -1.972  -0.258  1.00  0.00           C
ATOM     94  O   GLN A   7       3.082  -2.286  -0.983  1.00  0.00           O
ATOM     95  CB  GLN A   7       3.214  -2.733   1.867  1.00  0.00           C
ATOM     96  CG  GLN A   7       3.748  -1.337   2.179  1.00  0.00           C
ATOM     97  CD  GLN A   7       5.045  -1.326   2.945  1.00  0.00           C
ATOM     98  OE1 GLN A   7       5.826  -0.297   2.740  1.00  0.00           O   flip
ATOM     99  NE2 GLN A   7       5.331  -2.216   3.718  1.00  0.00           N   flip
ATOM      0  H   GLN A   7       2.169  -4.740   0.727  1.00  0.00           H   new
ATOM      0  HA  GLN A   7       1.148  -2.187   1.620  1.00  0.00           H   new
ATOM      0  HB2 GLN A   7       3.038  -3.266   2.801  1.00  0.00           H   new
ATOM      0  HB3 GLN A   7       3.973  -3.292   1.320  1.00  0.00           H   new
ATOM      0  HG2 GLN A   7       3.888  -0.797   1.243  1.00  0.00           H   new
ATOM      0  HG3 GLN A   7       2.997  -0.793   2.752  1.00  0.00           H   new
ATOM      0 HE21 GLN A   7       4.694  -3.002   3.849  1.00  0.00           H   new
ATOM      0 HE22 GLN A   7       6.208  -2.179   4.237  1.00  0.00           H   new
ATOM    108  N   CYS A   8       1.283  -1.013  -0.559  1.00  0.00           N
ATOM    109  CA  CYS A   8       1.483  -0.147  -1.722  1.00  0.00           C
ATOM    110  C   CYS A   8       2.660   0.745  -1.470  1.00  0.00           C
ATOM    111  O   CYS A   8       3.355   1.165  -2.375  1.00  0.00           O
ATOM    112  CB  CYS A   8       0.253   0.699  -2.006  1.00  0.00           C
ATOM    113  SG  CYS A   8      -0.514   1.454  -0.538  1.00  0.00           S
ATOM      0  H   CYS A   8       0.441  -0.812  -0.020  1.00  0.00           H   new
ATOM      0  HA  CYS A   8       1.663  -0.777  -2.593  1.00  0.00           H   new
ATOM      0  HB2 CYS A   8       0.528   1.491  -2.702  1.00  0.00           H   new
ATOM      0  HB3 CYS A   8      -0.489   0.078  -2.507  1.00  0.00           H   new
ATOM    118  N   GLY A   9       2.875   1.048  -0.221  1.00  0.00           N
ATOM    119  CA  GLY A   9       4.016   1.773   0.105  1.00  0.00           C
ATOM    120  C   GLY A   9       3.753   3.115   0.655  1.00  0.00           C
ATOM    121  O   GLY A   9       2.995   3.907   0.096  1.00  0.00           O
ATOM      0  H   GLY A   9       2.270   0.797   0.561  1.00  0.00           H   new
ATOM      0  HA2 GLY A   9       4.597   1.204   0.831  1.00  0.00           H   new
ATOM      0  HA3 GLY A   9       4.633   1.875  -0.788  1.00  0.00           H   new
ATOM    125  N   GLY A  10       4.334   3.345   1.778  1.00  0.00           N
ATOM    126  CA  GLY A  10       4.356   4.625   2.370  1.00  0.00           C
ATOM    127  C   GLY A  10       5.653   5.270   1.935  1.00  0.00           C
ATOM    128  O   GLY A  10       6.214   4.886   0.889  1.00  0.00           O
ATOM      0  H   GLY A  10       4.817   2.628   2.320  1.00  0.00           H   new
ATOM      0  HA2 GLY A  10       3.500   5.217   2.048  1.00  0.00           H   new
ATOM      0  HA3 GLY A  10       4.303   4.552   3.456  1.00  0.00           H   new
ATOM    132  N   ILE A  11       6.133   6.212   2.681  1.00  0.00           N
ATOM    133  CA  ILE A  11       7.423   6.830   2.408  1.00  0.00           C
ATOM    134  C   ILE A  11       8.518   5.747   2.409  1.00  0.00           C
ATOM    135  O   ILE A  11       8.563   4.901   3.308  1.00  0.00           O
ATOM    136  CB  ILE A  11       7.768   7.893   3.488  1.00  0.00           C
ATOM    137  CG1 ILE A  11       6.654   8.942   3.588  1.00  0.00           C
ATOM    138  CG2 ILE A  11       9.109   8.559   3.185  1.00  0.00           C
ATOM    139  CD1 ILE A  11       6.847   9.946   4.704  1.00  0.00           C
ATOM      0  H   ILE A  11       5.654   6.586   3.500  1.00  0.00           H   new
ATOM      0  HA  ILE A  11       7.371   7.319   1.435  1.00  0.00           H   new
ATOM      0  HB  ILE A  11       7.850   7.387   4.450  1.00  0.00           H   new
ATOM      0 HG12 ILE A  11       6.588   9.477   2.641  1.00  0.00           H   new
ATOM      0 HG13 ILE A  11       5.702   8.432   3.734  1.00  0.00           H   new
ATOM      0 HG21 ILE A  11       9.330   9.299   3.954  1.00  0.00           H   new
ATOM      0 HG22 ILE A  11       9.895   7.804   3.172  1.00  0.00           H   new
ATOM      0 HG23 ILE A  11       9.060   9.049   2.213  1.00  0.00           H   new
ATOM      0 HD11 ILE A  11       6.017  10.652   4.706  1.00  0.00           H   new
ATOM      0 HD12 ILE A  11       6.882   9.425   5.661  1.00  0.00           H   new
ATOM      0 HD13 ILE A  11       7.782  10.486   4.550  1.00  0.00           H   new
ATOM    151  N   GLY A  12       9.329   5.726   1.377  1.00  0.00           N
ATOM    152  CA  GLY A  12      10.419   4.786   1.330  1.00  0.00           C
ATOM    153  C   GLY A  12      10.173   3.659   0.361  1.00  0.00           C
ATOM    154  O   GLY A  12      11.112   3.015  -0.109  1.00  0.00           O
ATOM      0  H   GLY A  12       9.255   6.343   0.568  1.00  0.00           H   new
ATOM      0  HA2 GLY A  12      11.333   5.309   1.048  1.00  0.00           H   new
ATOM      0  HA3 GLY A  12      10.582   4.374   2.326  1.00  0.00           H   new
ATOM    158  N   TYR A  13       8.936   3.416   0.061  1.00  0.00           N
ATOM    159  CA  TYR A  13       8.573   2.342  -0.837  1.00  0.00           C
ATOM    160  C   TYR A  13       8.233   2.963  -2.184  1.00  0.00           C
ATOM    161  O   TYR A  13       7.239   3.677  -2.310  1.00  0.00           O
ATOM    162  CB  TYR A  13       7.374   1.585  -0.246  1.00  0.00           C
ATOM    163  CG  TYR A  13       6.955   0.294  -0.947  1.00  0.00           C
ATOM    164  CD1 TYR A  13       7.055  -0.928  -0.293  1.00  0.00           C
ATOM    165  CD2 TYR A  13       6.437   0.300  -2.234  1.00  0.00           C
ATOM    166  CE1 TYR A  13       6.648  -2.100  -0.902  1.00  0.00           C
ATOM    167  CE2 TYR A  13       6.037  -0.863  -2.847  1.00  0.00           C
ATOM    168  CZ  TYR A  13       6.138  -2.060  -2.178  1.00  0.00           C
ATOM    169  OH  TYR A  13       5.737  -3.231  -2.797  1.00  0.00           O
ATOM      0  H   TYR A  13       8.145   3.948   0.425  1.00  0.00           H   new
ATOM      0  HA  TYR A  13       9.388   1.630  -0.967  1.00  0.00           H   new
ATOM      0  HB2 TYR A  13       7.602   1.348   0.793  1.00  0.00           H   new
ATOM      0  HB3 TYR A  13       6.518   2.260  -0.238  1.00  0.00           H   new
ATOM      0  HD1 TYR A  13       7.458  -0.962   0.709  1.00  0.00           H   new
ATOM      0  HD2 TYR A  13       6.346   1.237  -2.764  1.00  0.00           H   new
ATOM      0  HE1 TYR A  13       6.730  -3.041  -0.379  1.00  0.00           H   new
ATOM      0  HE2 TYR A  13       5.644  -0.837  -3.853  1.00  0.00           H   new
ATOM      0  HH  TYR A  13       4.758  -3.283  -2.797  1.00  0.00           H   new
ATOM    179  N   SER A  14       9.045   2.713  -3.165  1.00  0.00           N
ATOM    180  CA  SER A  14       8.872   3.333  -4.456  1.00  0.00           C
ATOM    181  C   SER A  14       8.623   2.316  -5.574  1.00  0.00           C
ATOM    182  O   SER A  14       8.635   2.664  -6.765  1.00  0.00           O
ATOM    183  CB  SER A  14      10.077   4.221  -4.746  1.00  0.00           C
ATOM    184  OG  SER A  14      11.293   3.572  -4.380  1.00  0.00           O
ATOM      0  H   SER A  14       9.842   2.080  -3.101  1.00  0.00           H   new
ATOM      0  HA  SER A  14       7.973   3.948  -4.426  1.00  0.00           H   new
ATOM      0  HB2 SER A  14      10.100   4.473  -5.806  1.00  0.00           H   new
ATOM      0  HB3 SER A  14       9.982   5.158  -4.198  1.00  0.00           H   new
ATOM      0  HG  SER A  14      12.051   4.161  -4.577  1.00  0.00           H   new
ATOM    190  N   GLY A  15       8.370   1.083  -5.193  1.00  0.00           N
ATOM    191  CA  GLY A  15       8.082   0.041  -6.162  1.00  0.00           C
ATOM    192  C   GLY A  15       6.608   0.018  -6.549  1.00  0.00           C
ATOM    193  O   GLY A  15       6.088   1.025  -7.064  1.00  0.00           O
ATOM      0  H   GLY A  15       8.357   0.775  -4.221  1.00  0.00           H   new
ATOM      0  HA2 GLY A  15       8.689   0.196  -7.054  1.00  0.00           H   new
ATOM      0  HA3 GLY A  15       8.364  -0.927  -5.749  1.00  0.00           H   new
ATOM    197  N   PRO A  16       5.916  -1.125  -6.351  1.00  0.00           N
ATOM    198  CA  PRO A  16       4.466  -1.269  -6.602  1.00  0.00           C
ATOM    199  C   PRO A  16       3.610  -0.380  -5.694  1.00  0.00           C
ATOM    200  O   PRO A  16       3.065  -0.826  -4.694  1.00  0.00           O
ATOM    201  CB  PRO A  16       4.199  -2.755  -6.309  1.00  0.00           C
ATOM    202  CG  PRO A  16       5.530  -3.397  -6.437  1.00  0.00           C
ATOM    203  CD  PRO A  16       6.500  -2.400  -5.910  1.00  0.00           C
ATOM      0  HA  PRO A  16       4.202  -0.962  -7.614  1.00  0.00           H   new
ATOM      0  HB2 PRO A  16       3.784  -2.896  -5.311  1.00  0.00           H   new
ATOM      0  HB3 PRO A  16       3.484  -3.178  -7.015  1.00  0.00           H   new
ATOM      0  HG2 PRO A  16       5.574  -4.327  -5.870  1.00  0.00           H   new
ATOM      0  HG3 PRO A  16       5.748  -3.647  -7.475  1.00  0.00           H   new
ATOM      0  HD2 PRO A  16       6.587  -2.453  -4.825  1.00  0.00           H   new
ATOM      0  HD3 PRO A  16       7.499  -2.551  -6.318  1.00  0.00           H   new
ATOM    211  N   THR A  17       3.541   0.877  -6.045  1.00  0.00           N
ATOM    212  CA  THR A  17       2.782   1.855  -5.320  1.00  0.00           C
ATOM    213  C   THR A  17       1.328   1.875  -5.783  1.00  0.00           C
ATOM    214  O   THR A  17       0.442   2.400  -5.102  1.00  0.00           O
ATOM    215  CB  THR A  17       3.436   3.237  -5.485  1.00  0.00           C
ATOM    216  OG1 THR A  17       3.878   3.395  -6.859  1.00  0.00           O
ATOM    217  CG2 THR A  17       4.632   3.382  -4.556  1.00  0.00           C
ATOM      0  H   THR A  17       4.022   1.255  -6.861  1.00  0.00           H   new
ATOM      0  HA  THR A  17       2.780   1.589  -4.263  1.00  0.00           H   new
ATOM      0  HB  THR A  17       2.702   4.003  -5.233  1.00  0.00           H   new
ATOM      0  HG1 THR A  17       4.294   4.275  -6.970  1.00  0.00           H   new
ATOM      0 HG21 THR A  17       5.079   4.367  -4.690  1.00  0.00           H   new
ATOM      0 HG22 THR A  17       4.306   3.269  -3.522  1.00  0.00           H   new
ATOM      0 HG23 THR A  17       5.369   2.614  -4.790  1.00  0.00           H   new
ATOM    225  N   VAL A  18       1.096   1.294  -6.939  1.00  0.00           N
ATOM    226  CA  VAL A  18      -0.230   1.189  -7.493  1.00  0.00           C
ATOM    227  C   VAL A  18      -0.839  -0.119  -7.013  1.00  0.00           C
ATOM    228  O   VAL A  18      -0.170  -1.166  -7.030  1.00  0.00           O
ATOM    229  CB  VAL A  18      -0.206   1.217  -9.056  1.00  0.00           C
ATOM    230  CG1 VAL A  18      -1.614   1.139  -9.637  1.00  0.00           C
ATOM    231  CG2 VAL A  18       0.496   2.467  -9.559  1.00  0.00           C
ATOM      0  H   VAL A  18       1.825   0.881  -7.521  1.00  0.00           H   new
ATOM      0  HA  VAL A  18      -0.823   2.041  -7.161  1.00  0.00           H   new
ATOM      0  HB  VAL A  18       0.348   0.340  -9.391  1.00  0.00           H   new
ATOM      0 HG11 VAL A  18      -1.560   1.161 -10.725  1.00  0.00           H   new
ATOM      0 HG12 VAL A  18      -2.089   0.212  -9.316  1.00  0.00           H   new
ATOM      0 HG13 VAL A  18      -2.200   1.988  -9.286  1.00  0.00           H   new
ATOM      0 HG21 VAL A  18       0.502   2.467 -10.649  1.00  0.00           H   new
ATOM      0 HG22 VAL A  18      -0.031   3.350  -9.199  1.00  0.00           H   new
ATOM      0 HG23 VAL A  18       1.522   2.481  -9.191  1.00  0.00           H   new
ATOM    241  N   CYS A  19      -2.057  -0.063  -6.565  1.00  0.00           N
ATOM    242  CA  CYS A  19      -2.739  -1.239  -6.081  1.00  0.00           C
ATOM    243  C   CYS A  19      -3.544  -1.884  -7.201  1.00  0.00           C
ATOM    244  O   CYS A  19      -3.868  -1.223  -8.199  1.00  0.00           O
ATOM    245  CB  CYS A  19      -3.646  -0.866  -4.919  1.00  0.00           C
ATOM    246  SG  CYS A  19      -2.768  -0.128  -3.511  1.00  0.00           S
ATOM      0  H   CYS A  19      -2.610   0.793  -6.522  1.00  0.00           H   new
ATOM      0  HA  CYS A  19      -2.000  -1.960  -5.733  1.00  0.00           H   new
ATOM      0  HB2 CYS A  19      -4.402  -0.165  -5.271  1.00  0.00           H   new
ATOM      0  HB3 CYS A  19      -4.172  -1.758  -4.580  1.00  0.00           H   new
ATOM    251  N   ALA A  20      -3.836  -3.169  -7.056  1.00  0.00           N
ATOM    252  CA  ALA A  20      -4.637  -3.901  -8.027  1.00  0.00           C
ATOM    253  C   ALA A  20      -6.055  -3.324  -8.108  1.00  0.00           C
ATOM    254  O   ALA A  20      -6.517  -2.642  -7.169  1.00  0.00           O
ATOM    255  CB  ALA A  20      -4.681  -5.379  -7.664  1.00  0.00           C
ATOM      0  H   ALA A  20      -3.525  -3.732  -6.264  1.00  0.00           H   new
ATOM      0  HA  ALA A  20      -4.173  -3.796  -9.007  1.00  0.00           H   new
ATOM      0  HB1 ALA A  20      -5.283  -5.916  -8.397  1.00  0.00           H   new
ATOM      0  HB2 ALA A  20      -3.669  -5.783  -7.660  1.00  0.00           H   new
ATOM      0  HB3 ALA A  20      -5.123  -5.498  -6.675  1.00  0.00           H   new
ATOM    261  N   SER A  21      -6.725  -3.590  -9.210  1.00  0.00           N
ATOM    262  CA  SER A  21      -8.066  -3.099  -9.465  1.00  0.00           C
ATOM    263  C   SER A  21      -9.036  -3.487  -8.337  1.00  0.00           C
ATOM    264  O   SER A  21      -9.193  -4.668  -8.003  1.00  0.00           O
ATOM    265  CB  SER A  21      -8.543  -3.656 -10.794  1.00  0.00           C
ATOM    266  OG  SER A  21      -7.593  -3.369 -11.818  1.00  0.00           O
ATOM      0  H   SER A  21      -6.349  -4.162  -9.966  1.00  0.00           H   new
ATOM      0  HA  SER A  21      -8.042  -2.010  -9.504  1.00  0.00           H   new
ATOM      0  HB2 SER A  21      -8.688  -4.733 -10.714  1.00  0.00           H   new
ATOM      0  HB3 SER A  21      -9.509  -3.223 -11.052  1.00  0.00           H   new
ATOM      0  HG  SER A  21      -7.910  -3.734 -12.670  1.00  0.00           H   new
ATOM    272  N   GLY A  22      -9.626  -2.487  -7.728  1.00  0.00           N
ATOM    273  CA  GLY A  22     -10.557  -2.708  -6.663  1.00  0.00           C
ATOM    274  C   GLY A  22      -9.969  -2.388  -5.307  1.00  0.00           C
ATOM    275  O   GLY A  22     -10.703  -2.198  -4.338  1.00  0.00           O
ATOM      0  H   GLY A  22      -9.472  -1.506  -7.959  1.00  0.00           H   new
ATOM      0  HA2 GLY A  22     -11.443  -2.094  -6.826  1.00  0.00           H   new
ATOM      0  HA3 GLY A  22     -10.882  -3.748  -6.679  1.00  0.00           H   new
ATOM    279  N   THR A  23      -8.662  -2.298  -5.224  1.00  0.00           N
ATOM    280  CA  THR A  23      -8.027  -2.040  -3.949  1.00  0.00           C
ATOM    281  C   THR A  23      -7.491  -0.604  -3.883  1.00  0.00           C
ATOM    282  O   THR A  23      -7.035  -0.056  -4.896  1.00  0.00           O
ATOM    283  CB  THR A  23      -6.906  -3.077  -3.645  1.00  0.00           C
ATOM    284  OG1 THR A  23      -5.859  -3.007  -4.613  1.00  0.00           O
ATOM    285  CG2 THR A  23      -7.472  -4.485  -3.658  1.00  0.00           C
ATOM      0  H   THR A  23      -8.023  -2.398  -6.013  1.00  0.00           H   new
ATOM      0  HA  THR A  23      -8.787  -2.151  -3.175  1.00  0.00           H   new
ATOM      0  HB  THR A  23      -6.504  -2.839  -2.660  1.00  0.00           H   new
ATOM      0  HG1 THR A  23      -6.238  -3.098  -5.512  1.00  0.00           H   new
ATOM      0 HG21 THR A  23      -6.677  -5.199  -3.444  1.00  0.00           H   new
ATOM      0 HG22 THR A  23      -8.251  -4.571  -2.900  1.00  0.00           H   new
ATOM      0 HG23 THR A  23      -7.896  -4.698  -4.639  1.00  0.00           H   new
ATOM    293  N   THR A  24      -7.585   0.006  -2.731  1.00  0.00           N
ATOM    294  CA  THR A  24      -7.150   1.373  -2.537  1.00  0.00           C
ATOM    295  C   THR A  24      -5.894   1.444  -1.683  1.00  0.00           C
ATOM    296  O   THR A  24      -5.783   0.732  -0.685  1.00  0.00           O
ATOM    297  CB  THR A  24      -8.272   2.216  -1.887  1.00  0.00           C
ATOM    298  OG1 THR A  24      -8.838   1.528  -0.728  1.00  0.00           O
ATOM    299  CG2 THR A  24      -9.366   2.522  -2.893  1.00  0.00           C
ATOM      0  H   THR A  24      -7.968  -0.431  -1.892  1.00  0.00           H   new
ATOM      0  HA  THR A  24      -6.918   1.782  -3.520  1.00  0.00           H   new
ATOM      0  HB  THR A  24      -7.831   3.155  -1.552  1.00  0.00           H   new
ATOM      0  HG1 THR A  24      -9.109   0.622  -0.985  1.00  0.00           H   new
ATOM      0 HG21 THR A  24     -10.145   3.116  -2.414  1.00  0.00           H   new
ATOM      0 HG22 THR A  24      -8.946   3.081  -3.729  1.00  0.00           H   new
ATOM      0 HG23 THR A  24      -9.795   1.589  -3.259  1.00  0.00           H   new
ATOM    307  N   CYS A  25      -4.952   2.274  -2.076  1.00  0.00           N
ATOM    308  CA  CYS A  25      -3.749   2.460  -1.300  1.00  0.00           C
ATOM    309  C   CYS A  25      -4.043   3.396  -0.161  1.00  0.00           C
ATOM    310  O   CYS A  25      -4.297   4.594  -0.367  1.00  0.00           O
ATOM    311  CB  CYS A  25      -2.587   3.011  -2.143  1.00  0.00           C
ATOM    312  SG  CYS A  25      -1.048   3.301  -1.182  1.00  0.00           S
ATOM      0  H   CYS A  25      -4.998   2.831  -2.930  1.00  0.00           H   new
ATOM      0  HA  CYS A  25      -3.437   1.485  -0.925  1.00  0.00           H   new
ATOM      0  HB2 CYS A  25      -2.373   2.312  -2.952  1.00  0.00           H   new
ATOM      0  HB3 CYS A  25      -2.898   3.948  -2.605  1.00  0.00           H   new
ATOM    317  N   GLN A  26      -4.076   2.860   1.014  1.00  0.00           N
ATOM    318  CA  GLN A  26      -4.351   3.629   2.181  1.00  0.00           C
ATOM    319  C   GLN A  26      -3.119   3.676   3.050  1.00  0.00           C
ATOM    320  O   GLN A  26      -2.620   2.636   3.505  1.00  0.00           O
ATOM    321  CB  GLN A  26      -5.534   3.037   2.945  1.00  0.00           C
ATOM    322  CG  GLN A  26      -6.812   2.940   2.114  1.00  0.00           C
ATOM    323  CD  GLN A  26      -7.982   2.381   2.892  1.00  0.00           C
ATOM    324  OE1 GLN A  26      -8.090   2.567   4.109  1.00  0.00           O
ATOM    325  NE2 GLN A  26      -8.873   1.723   2.213  1.00  0.00           N
ATOM      0  H   GLN A  26      -3.912   1.869   1.192  1.00  0.00           H   new
ATOM      0  HA  GLN A  26      -4.618   4.645   1.890  1.00  0.00           H   new
ATOM      0  HB2 GLN A  26      -5.265   2.042   3.300  1.00  0.00           H   new
ATOM      0  HB3 GLN A  26      -5.729   3.648   3.826  1.00  0.00           H   new
ATOM      0  HG2 GLN A  26      -7.072   3.930   1.740  1.00  0.00           H   new
ATOM      0  HG3 GLN A  26      -6.626   2.309   1.245  1.00  0.00           H   new
ATOM      0 HE21 GLN A  26      -8.752   1.588   1.209  1.00  0.00           H   new
ATOM      0 HE22 GLN A  26      -9.693   1.341   2.684  1.00  0.00           H   new
ATOM    334  N   VAL A  27      -2.608   4.861   3.240  1.00  0.00           N
ATOM    335  CA  VAL A  27      -1.452   5.080   4.066  1.00  0.00           C
ATOM    336  C   VAL A  27      -1.905   5.005   5.526  1.00  0.00           C
ATOM    337  O   VAL A  27      -2.641   5.871   6.008  1.00  0.00           O
ATOM    338  CB  VAL A  27      -0.778   6.458   3.739  1.00  0.00           C
ATOM    339  CG1 VAL A  27       0.480   6.684   4.542  1.00  0.00           C
ATOM    340  CG2 VAL A  27      -0.497   6.592   2.242  1.00  0.00           C
ATOM      0  H   VAL A  27      -2.986   5.711   2.822  1.00  0.00           H   new
ATOM      0  HA  VAL A  27      -0.697   4.318   3.874  1.00  0.00           H   new
ATOM      0  HB  VAL A  27      -1.488   7.233   4.027  1.00  0.00           H   new
ATOM      0 HG11 VAL A  27       0.910   7.651   4.280  1.00  0.00           H   new
ATOM      0 HG12 VAL A  27       0.241   6.669   5.605  1.00  0.00           H   new
ATOM      0 HG13 VAL A  27       1.199   5.895   4.321  1.00  0.00           H   new
ATOM      0 HG21 VAL A  27      -0.030   7.557   2.044  1.00  0.00           H   new
ATOM      0 HG22 VAL A  27       0.173   5.793   1.925  1.00  0.00           H   new
ATOM      0 HG23 VAL A  27      -1.433   6.522   1.688  1.00  0.00           H   new
ATOM    350  N   LEU A  28      -1.547   3.924   6.186  1.00  0.00           N
ATOM    351  CA  LEU A  28      -1.967   3.677   7.560  1.00  0.00           C
ATOM    352  C   LEU A  28      -0.969   4.303   8.496  1.00  0.00           C
ATOM    353  O   LEU A  28      -1.313   4.937   9.492  1.00  0.00           O
ATOM    354  CB  LEU A  28      -2.034   2.168   7.824  1.00  0.00           C
ATOM    355  CG  LEU A  28      -2.902   1.347   6.864  1.00  0.00           C
ATOM    356  CD1 LEU A  28      -2.859  -0.115   7.235  1.00  0.00           C
ATOM    357  CD2 LEU A  28      -4.328   1.841   6.872  1.00  0.00           C
ATOM      0  H   LEU A  28      -0.958   3.190   5.792  1.00  0.00           H   new
ATOM      0  HA  LEU A  28      -2.954   4.110   7.721  1.00  0.00           H   new
ATOM      0  HB2 LEU A  28      -1.020   1.770   7.793  1.00  0.00           H   new
ATOM      0  HB3 LEU A  28      -2.406   2.014   8.837  1.00  0.00           H   new
ATOM      0  HG  LEU A  28      -2.501   1.468   5.858  1.00  0.00           H   new
ATOM      0 HD11 LEU A  28      -3.480  -0.684   6.544  1.00  0.00           H   new
ATOM      0 HD12 LEU A  28      -1.831  -0.474   7.179  1.00  0.00           H   new
ATOM      0 HD13 LEU A  28      -3.234  -0.244   8.250  1.00  0.00           H   new
ATOM      0 HD21 LEU A  28      -4.924   1.243   6.183  1.00  0.00           H   new
ATOM      0 HD22 LEU A  28      -4.738   1.752   7.878  1.00  0.00           H   new
ATOM      0 HD23 LEU A  28      -4.353   2.885   6.561  1.00  0.00           H   new
ATOM    369  N   ASN A  29       0.258   4.141   8.146  1.00  0.00           N
ATOM    370  CA  ASN A  29       1.372   4.676   8.863  1.00  0.00           C
ATOM    371  C   ASN A  29       2.144   5.404   7.815  1.00  0.00           C
ATOM    372  O   ASN A  29       1.959   5.087   6.656  1.00  0.00           O
ATOM    373  CB  ASN A  29       2.241   3.550   9.455  1.00  0.00           C
ATOM    374  CG  ASN A  29       1.512   2.628  10.411  1.00  0.00           C
ATOM    375  OD1 ASN A  29       0.980   1.560   9.895  1.00  0.00           O   flip
ATOM    376  ND2 ASN A  29       1.440   2.885  11.615  1.00  0.00           N   flip
ATOM      0  H   ASN A  29       0.529   3.610   7.318  1.00  0.00           H   new
ATOM      0  HA  ASN A  29       1.064   5.305   9.699  1.00  0.00           H   new
ATOM      0  HB2 ASN A  29       2.649   2.956   8.637  1.00  0.00           H   new
ATOM      0  HB3 ASN A  29       3.087   3.998   9.977  1.00  0.00           H   new
ATOM      0 HD21 ASN A  29       1.871   3.734  11.982  1.00  0.00           H   new
ATOM      0 HD22 ASN A  29       0.950   2.249  12.244  1.00  0.00           H   new
ATOM    383  N   PRO A  30       3.043   6.339   8.145  1.00  0.00           N
ATOM    384  CA  PRO A  30       3.723   7.139   7.120  1.00  0.00           C
ATOM    385  C   PRO A  30       4.525   6.275   6.161  1.00  0.00           C
ATOM    386  O   PRO A  30       4.659   6.594   4.983  1.00  0.00           O
ATOM    387  CB  PRO A  30       4.672   8.033   7.898  1.00  0.00           C
ATOM    388  CG  PRO A  30       4.196   7.990   9.312  1.00  0.00           C
ATOM    389  CD  PRO A  30       3.508   6.672   9.497  1.00  0.00           C
ATOM      0  HA  PRO A  30       3.002   7.688   6.514  1.00  0.00           H   new
ATOM      0  HB2 PRO A  30       5.699   7.677   7.819  1.00  0.00           H   new
ATOM      0  HB3 PRO A  30       4.657   9.052   7.510  1.00  0.00           H   new
ATOM      0  HG2 PRO A  30       5.032   8.090  10.004  1.00  0.00           H   new
ATOM      0  HG3 PRO A  30       3.513   8.815   9.515  1.00  0.00           H   new
ATOM      0  HD2 PRO A  30       4.188   5.915   9.886  1.00  0.00           H   new
ATOM      0  HD3 PRO A  30       2.679   6.747  10.200  1.00  0.00           H   new
ATOM    397  N   TYR A  31       5.039   5.173   6.663  1.00  0.00           N
ATOM    398  CA  TYR A  31       5.846   4.303   5.854  1.00  0.00           C
ATOM    399  C   TYR A  31       5.071   3.035   5.452  1.00  0.00           C
ATOM    400  O   TYR A  31       5.392   2.398   4.434  1.00  0.00           O
ATOM    401  CB  TYR A  31       7.138   3.947   6.604  1.00  0.00           C
ATOM    402  CG  TYR A  31       7.938   5.167   7.051  1.00  0.00           C
ATOM    403  CD1 TYR A  31       8.949   5.678   6.260  1.00  0.00           C
ATOM    404  CD2 TYR A  31       7.667   5.810   8.262  1.00  0.00           C
ATOM    405  CE1 TYR A  31       9.672   6.784   6.649  1.00  0.00           C
ATOM    406  CE2 TYR A  31       8.389   6.917   8.657  1.00  0.00           C
ATOM    407  CZ  TYR A  31       9.389   7.399   7.847  1.00  0.00           C
ATOM    408  OH  TYR A  31      10.112   8.505   8.235  1.00  0.00           O
ATOM      0  H   TYR A  31       4.909   4.864   7.626  1.00  0.00           H   new
ATOM      0  HA  TYR A  31       6.107   4.826   4.934  1.00  0.00           H   new
ATOM      0  HB2 TYR A  31       6.887   3.346   7.478  1.00  0.00           H   new
ATOM      0  HB3 TYR A  31       7.763   3.328   5.961  1.00  0.00           H   new
ATOM      0  HD1 TYR A  31       9.177   5.201   5.318  1.00  0.00           H   new
ATOM      0  HD2 TYR A  31       6.880   5.434   8.899  1.00  0.00           H   new
ATOM      0  HE1 TYR A  31      10.458   7.167   6.016  1.00  0.00           H   new
ATOM      0  HE2 TYR A  31       8.170   7.402   9.597  1.00  0.00           H   new
ATOM      0  HH  TYR A  31       9.787   8.820   9.104  1.00  0.00           H   new
ATOM    418  N   TYR A  32       4.052   2.672   6.225  1.00  0.00           N
ATOM    419  CA  TYR A  32       3.238   1.505   5.894  1.00  0.00           C
ATOM    420  C   TYR A  32       1.899   1.913   5.293  1.00  0.00           C
ATOM    421  O   TYR A  32       1.033   2.472   5.978  1.00  0.00           O
ATOM    422  CB  TYR A  32       3.006   0.583   7.106  1.00  0.00           C
ATOM    423  CG  TYR A  32       2.249  -0.704   6.764  1.00  0.00           C
ATOM    424  CD1 TYR A  32       0.873  -0.843   7.007  1.00  0.00           C
ATOM    425  CD2 TYR A  32       2.915  -1.780   6.188  1.00  0.00           C
ATOM    426  CE1 TYR A  32       0.211  -2.018   6.681  1.00  0.00           C
ATOM    427  CE2 TYR A  32       2.250  -2.951   5.861  1.00  0.00           C
ATOM    428  CZ  TYR A  32       0.903  -3.063   6.110  1.00  0.00           C
ATOM    429  OH  TYR A  32       0.234  -4.232   5.781  1.00  0.00           O
ATOM      0  H   TYR A  32       3.772   3.161   7.075  1.00  0.00           H   new
ATOM      0  HA  TYR A  32       3.805   0.943   5.151  1.00  0.00           H   new
ATOM      0  HB2 TYR A  32       3.970   0.322   7.543  1.00  0.00           H   new
ATOM      0  HB3 TYR A  32       2.449   1.130   7.867  1.00  0.00           H   new
ATOM      0  HD1 TYR A  32       0.324  -0.027   7.452  1.00  0.00           H   new
ATOM      0  HD2 TYR A  32       3.974  -1.701   5.991  1.00  0.00           H   new
ATOM      0  HE1 TYR A  32      -0.847  -2.113   6.875  1.00  0.00           H   new
ATOM      0  HE2 TYR A  32       2.788  -3.773   5.412  1.00  0.00           H   new
ATOM      0  HH  TYR A  32       0.865  -4.870   5.386  1.00  0.00           H   new
ATOM    439  N   SER A  33       1.715   1.585   4.064  1.00  0.00           N
ATOM    440  CA  SER A  33       0.488   1.848   3.374  1.00  0.00           C
ATOM    441  C   SER A  33       0.013   0.538   2.811  1.00  0.00           C
ATOM    442  O   SER A  33       0.827  -0.232   2.319  1.00  0.00           O
ATOM    443  CB  SER A  33       0.741   2.852   2.271  1.00  0.00           C
ATOM    444  OG  SER A  33       1.355   4.002   2.798  1.00  0.00           O
ATOM      0  H   SER A  33       2.420   1.118   3.494  1.00  0.00           H   new
ATOM      0  HA  SER A  33      -0.268   2.266   4.038  1.00  0.00           H   new
ATOM      0  HB2 SER A  33       1.377   2.409   1.504  1.00  0.00           H   new
ATOM      0  HB3 SER A  33      -0.199   3.120   1.790  1.00  0.00           H   new
ATOM      0  HG  SER A  33       1.363   3.949   3.777  1.00  0.00           H   new
ATOM    450  N   GLN A  34      -1.252   0.268   2.881  1.00  0.00           N
ATOM    451  CA  GLN A  34      -1.752  -1.016   2.471  1.00  0.00           C
ATOM    452  C   GLN A  34      -2.827  -0.849   1.404  1.00  0.00           C
ATOM    453  O   GLN A  34      -3.509   0.176   1.360  1.00  0.00           O
ATOM    454  CB  GLN A  34      -2.290  -1.767   3.702  1.00  0.00           C
ATOM    455  CG  GLN A  34      -2.654  -3.224   3.463  1.00  0.00           C
ATOM    456  CD  GLN A  34      -3.098  -3.927   4.729  1.00  0.00           C
ATOM    457  OE1 GLN A  34      -3.672  -3.319   5.623  1.00  0.00           O
ATOM    458  NE2 GLN A  34      -2.796  -5.195   4.835  1.00  0.00           N
ATOM      0  H   GLN A  34      -1.963   0.917   3.218  1.00  0.00           H   new
ATOM      0  HA  GLN A  34      -0.945  -1.603   2.032  1.00  0.00           H   new
ATOM      0  HB2 GLN A  34      -1.540  -1.721   4.492  1.00  0.00           H   new
ATOM      0  HB3 GLN A  34      -3.173  -1.244   4.070  1.00  0.00           H   new
ATOM      0  HG2 GLN A  34      -3.452  -3.279   2.722  1.00  0.00           H   new
ATOM      0  HG3 GLN A  34      -1.794  -3.746   3.044  1.00  0.00           H   new
ATOM      0 HE21 GLN A  34      -2.317  -5.671   4.070  1.00  0.00           H   new
ATOM      0 HE22 GLN A  34      -3.039  -5.708   5.682  1.00  0.00           H   new
ATOM    467  N   CYS A  35      -2.934  -1.821   0.536  1.00  0.00           N
ATOM    468  CA  CYS A  35      -3.943  -1.825  -0.488  1.00  0.00           C
ATOM    469  C   CYS A  35      -5.163  -2.553   0.018  1.00  0.00           C
ATOM    470  O   CYS A  35      -5.160  -3.790   0.148  1.00  0.00           O
ATOM    471  CB  CYS A  35      -3.434  -2.512  -1.759  1.00  0.00           C
ATOM    472  SG  CYS A  35      -1.986  -1.719  -2.516  1.00  0.00           S
ATOM      0  H   CYS A  35      -2.320  -2.635   0.520  1.00  0.00           H   new
ATOM      0  HA  CYS A  35      -4.193  -0.792  -0.731  1.00  0.00           H   new
ATOM      0  HB2 CYS A  35      -3.184  -3.546  -1.522  1.00  0.00           H   new
ATOM      0  HB3 CYS A  35      -4.242  -2.539  -2.491  1.00  0.00           H   new
ATOM    477  N   LEU A  36      -6.170  -1.812   0.323  1.00  0.00           N
ATOM    478  CA  LEU A  36      -7.397  -2.362   0.786  1.00  0.00           C
ATOM    479  C   LEU A  36      -8.399  -2.247  -0.315  1.00  0.00           C
ATOM    480  O   LEU A  36      -8.686  -3.248  -0.951  1.00  0.00           O
ATOM    481  CB  LEU A  36      -7.911  -1.684   2.077  1.00  0.00           C
ATOM    482  CG  LEU A  36      -7.049  -1.833   3.353  1.00  0.00           C
ATOM    483  CD1 LEU A  36      -6.634  -3.277   3.609  1.00  0.00           C
ATOM    484  CD2 LEU A  36      -5.860  -0.894   3.362  1.00  0.00           C
ATOM    485  OXT LEU A  36      -8.826  -1.113  -0.625  1.00  0.00           O
ATOM      0  H   LEU A  36      -6.165  -0.794   0.257  1.00  0.00           H   new
ATOM      0  HA  LEU A  36      -7.234  -3.407   1.050  1.00  0.00           H   new
ATOM      0  HB2 LEU A  36      -8.030  -0.620   1.874  1.00  0.00           H   new
ATOM      0  HB3 LEU A  36      -8.903  -2.080   2.293  1.00  0.00           H   new
ATOM      0  HG  LEU A  36      -7.688  -1.537   4.185  1.00  0.00           H   new
ATOM      0 HD11 LEU A  36      -6.031  -3.327   4.516  1.00  0.00           H   new
ATOM      0 HD12 LEU A  36      -7.524  -3.895   3.730  1.00  0.00           H   new
ATOM      0 HD13 LEU A  36      -6.050  -3.643   2.764  1.00  0.00           H   new
ATOM      0 HD21 LEU A  36      -5.289  -1.039   4.279  1.00  0.00           H   new
ATOM      0 HD22 LEU A  36      -5.225  -1.103   2.501  1.00  0.00           H   new
ATOM      0 HD23 LEU A  36      -6.210   0.137   3.312  1.00  0.00           H   new