USER  MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=7
USER  MOD reduce.3.24.130724 removed 364 hydrogens (0 hets)
USER  MOD -----------------------------------------------------------------
USER  MOD scores for adjustable sidechains, with "set" totals for H,N and Q
USER  MOD "o" means original, "f" means flipped, "180deg" is methyl default
USER  MOD "!" flags a clash with an overlap of 0.40A or greater
USER  MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip
USER  MOD Single : A  31 GLN     :      amide:sc=  -0.383  K(o=-0.38,f=-1)
USER  MOD Single : A  35 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  36 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  37 CYS SG  :   rot   81:sc=   0.103
USER  MOD Single : A  40 HIS     :     no HE2:sc=   -1.83  K(o=-1.8,f=-2.7!)
USER  MOD Single : A  41 MET CE  :methyl -164:sc=  -0.726   (180deg=-1.44!)
USER  MOD Single : A  55 THR OG1 :   rot  180:sc=   -4.33!
USER  MOD Single : A  60 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  61 HIS     :     no HD1:sc=   -3.24  X(o=-3.2,f=-3.2)
USER  MOD Single : A  62 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  66 GLN     :      amide:sc=  -0.112  K(o=-0.11,f=-1.2)
USER  MOD Single : A  67 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  70 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  75 GLN     :      amide:sc=  -0.173  K(o=-0.17,f=-2.1!)
USER  MOD -----------------------------------------------------------------
ATOM    424  N   GLN A  31     -14.120  -2.078  -1.118  1.00  0.00           N
ATOM    425  CA  GLN A  31     -13.444  -0.944  -0.512  1.00  0.00           C
ATOM    426  C   GLN A  31     -12.816  -1.351   0.823  1.00  0.00           C
ATOM    427  O   GLN A  31     -11.607  -1.228   1.007  1.00  0.00           O
ATOM    428  CB  GLN A  31     -14.403   0.234  -0.331  1.00  0.00           C
ATOM    429  CG  GLN A  31     -14.084   1.358  -1.318  1.00  0.00           C
ATOM    430  CD  GLN A  31     -14.486   2.720  -0.748  1.00  0.00           C
ATOM    431  OE1 GLN A  31     -14.063   3.123   0.323  1.00  0.00           O
ATOM    432  NE2 GLN A  31     -15.325   3.404  -1.521  1.00  0.00           N
ATOM      0  HA  GLN A  31     -12.647  -0.621  -1.182  1.00  0.00           H   new
ATOM      0  HB2 GLN A  31     -15.429  -0.102  -0.477  1.00  0.00           H   new
ATOM      0  HB3 GLN A  31     -14.333   0.611   0.689  1.00  0.00           H   new
ATOM      0  HG2 GLN A  31     -13.018   1.355  -1.545  1.00  0.00           H   new
ATOM      0  HG3 GLN A  31     -14.610   1.183  -2.256  1.00  0.00           H   new
ATOM      0 HE21 GLN A  31     -15.640   3.008  -2.407  1.00  0.00           H   new
ATOM      0 HE22 GLN A  31     -15.653   4.324  -1.228  1.00  0.00           H   new
ATOM    441  N   ALA A  32     -13.668  -1.828   1.719  1.00  0.00           N
ATOM    442  CA  ALA A  32     -13.212  -2.254   3.031  1.00  0.00           C
ATOM    443  C   ALA A  32     -11.886  -3.003   2.888  1.00  0.00           C
ATOM    444  O   ALA A  32     -10.994  -2.860   3.722  1.00  0.00           O
ATOM    445  CB  ALA A  32     -14.295  -3.106   3.696  1.00  0.00           C
ATOM      0  H   ALA A  32     -14.671  -1.929   1.562  1.00  0.00           H   new
ATOM      0  HA  ALA A  32     -13.035  -1.392   3.674  1.00  0.00           H   new
ATOM      0  HB1 ALA A  32     -13.953  -3.426   4.680  1.00  0.00           H   new
ATOM      0  HB2 ALA A  32     -15.207  -2.518   3.802  1.00  0.00           H   new
ATOM      0  HB3 ALA A  32     -14.498  -3.982   3.080  1.00  0.00           H   new
ATOM    451  N   ARG A  33     -11.799  -3.787   1.823  1.00  0.00           N
ATOM    452  CA  ARG A  33     -10.597  -4.560   1.559  1.00  0.00           C
ATOM    453  C   ARG A  33      -9.465  -3.640   1.096  1.00  0.00           C
ATOM    454  O   ARG A  33      -8.347  -3.722   1.602  1.00  0.00           O
ATOM    455  CB  ARG A  33     -10.850  -5.624   0.489  1.00  0.00           C
ATOM    456  CG  ARG A  33     -12.131  -6.405   0.785  1.00  0.00           C
ATOM    457  CD  ARG A  33     -11.817  -7.733   1.476  1.00  0.00           C
ATOM    458  NE  ARG A  33     -12.047  -7.613   2.933  1.00  0.00           N
ATOM    459  CZ  ARG A  33     -11.545  -8.457   3.845  1.00  0.00           C
ATOM    460  NH1 ARG A  33     -10.782  -9.488   3.456  1.00  0.00           N
ATOM    461  NH2 ARG A  33     -11.806  -8.271   5.146  1.00  0.00           N
ATOM      0  H   ARG A  33     -12.541  -3.903   1.133  1.00  0.00           H   new
ATOM      0  HA  ARG A  33     -10.311  -5.055   2.487  1.00  0.00           H   new
ATOM      0  HB2 ARG A  33     -10.927  -5.150  -0.489  1.00  0.00           H   new
ATOM      0  HB3 ARG A  33     -10.004  -6.310   0.445  1.00  0.00           H   new
ATOM      0  HG2 ARG A  33     -12.787  -5.808   1.418  1.00  0.00           H   new
ATOM      0  HG3 ARG A  33     -12.669  -6.593  -0.144  1.00  0.00           H   new
ATOM      0  HD2 ARG A  33     -12.444  -8.524   1.064  1.00  0.00           H   new
ATOM      0  HD3 ARG A  33     -10.782  -8.016   1.285  1.00  0.00           H   new
ATOM      0  HE  ARG A  33     -12.624  -6.839   3.264  1.00  0.00           H   new
ATOM      0 HH11 ARG A  33     -10.583  -9.630   2.466  1.00  0.00           H   new
ATOM      0 HH12 ARG A  33     -10.400 -10.130   4.150  1.00  0.00           H   new
ATOM      0 HH21 ARG A  33     -12.387  -7.487   5.443  1.00  0.00           H   new
ATOM      0 HH22 ARG A  33     -11.424  -8.914   5.840  1.00  0.00           H   new
ATOM    475  N   LEU A  34      -9.795  -2.784   0.140  1.00  0.00           N
ATOM    476  CA  LEU A  34      -8.821  -1.849  -0.397  1.00  0.00           C
ATOM    477  C   LEU A  34      -8.175  -1.076   0.754  1.00  0.00           C
ATOM    478  O   LEU A  34      -6.953  -1.074   0.897  1.00  0.00           O
ATOM    479  CB  LEU A  34      -9.465  -0.952  -1.456  1.00  0.00           C
ATOM    480  CG  LEU A  34      -8.727   0.351  -1.770  1.00  0.00           C
ATOM    481  CD1 LEU A  34      -8.094   0.300  -3.162  1.00  0.00           C
ATOM    482  CD2 LEU A  34      -9.652   1.558  -1.605  1.00  0.00           C
ATOM      0  H   LEU A  34     -10.724  -2.718  -0.277  1.00  0.00           H   new
ATOM      0  HA  LEU A  34      -8.022  -2.384  -0.910  1.00  0.00           H   new
ATOM      0  HB2 LEU A  34      -9.560  -1.524  -2.379  1.00  0.00           H   new
ATOM      0  HB3 LEU A  34     -10.475  -0.705  -1.129  1.00  0.00           H   new
ATOM      0  HG  LEU A  34      -7.916   0.466  -1.051  1.00  0.00           H   new
ATOM      0 HD11 LEU A  34      -7.576   1.238  -3.361  1.00  0.00           H   new
ATOM      0 HD12 LEU A  34      -7.383  -0.525  -3.208  1.00  0.00           H   new
ATOM      0 HD13 LEU A  34      -8.872   0.150  -3.910  1.00  0.00           H   new
ATOM      0 HD21 LEU A  34      -9.103   2.471  -1.834  1.00  0.00           H   new
ATOM      0 HD22 LEU A  34     -10.499   1.463  -2.285  1.00  0.00           H   new
ATOM      0 HD23 LEU A  34     -10.015   1.601  -0.578  1.00  0.00           H   new
ATOM    494  N   TYR A  35      -9.023  -0.437   1.545  1.00  0.00           N
ATOM    495  CA  TYR A  35      -8.550   0.339   2.679  1.00  0.00           C
ATOM    496  C   TYR A  35      -7.744  -0.534   3.643  1.00  0.00           C
ATOM    497  O   TYR A  35      -6.674  -0.135   4.100  1.00  0.00           O
ATOM    498  CB  TYR A  35      -9.804   0.846   3.396  1.00  0.00           C
ATOM    499  CG  TYR A  35     -10.186   2.283   3.039  1.00  0.00           C
ATOM    500  CD1 TYR A  35      -9.276   3.305   3.218  1.00  0.00           C
ATOM    501  CD2 TYR A  35     -11.443   2.559   2.538  1.00  0.00           C
ATOM    502  CE1 TYR A  35      -9.636   4.658   2.883  1.00  0.00           C
ATOM    503  CE2 TYR A  35     -11.803   3.912   2.203  1.00  0.00           C
ATOM    504  CZ  TYR A  35     -10.882   4.895   2.391  1.00  0.00           C
ATOM    505  OH  TYR A  35     -11.222   6.173   2.074  1.00  0.00           O
ATOM      0  H   TYR A  35     -10.036  -0.440   1.423  1.00  0.00           H   new
ATOM      0  HA  TYR A  35      -7.902   1.150   2.346  1.00  0.00           H   new
ATOM      0  HB2 TYR A  35     -10.639   0.188   3.155  1.00  0.00           H   new
ATOM      0  HB3 TYR A  35      -9.647   0.779   4.473  1.00  0.00           H   new
ATOM      0  HD1 TYR A  35      -8.293   3.090   3.610  1.00  0.00           H   new
ATOM      0  HD2 TYR A  35     -12.156   1.760   2.398  1.00  0.00           H   new
ATOM      0  HE1 TYR A  35      -8.933   5.466   3.019  1.00  0.00           H   new
ATOM      0  HE2 TYR A  35     -12.783   4.141   1.811  1.00  0.00           H   new
ATOM      0  HH  TYR A  35     -12.141   6.192   1.733  1.00  0.00           H   new
ATOM    515  N   SER A  36      -8.289  -1.709   3.923  1.00  0.00           N
ATOM    516  CA  SER A  36      -7.634  -2.641   4.824  1.00  0.00           C
ATOM    517  C   SER A  36      -6.263  -3.031   4.267  1.00  0.00           C
ATOM    518  O   SER A  36      -5.392  -3.481   5.011  1.00  0.00           O
ATOM    519  CB  SER A  36      -8.491  -3.889   5.044  1.00  0.00           C
ATOM    520  OG  SER A  36      -8.055  -4.645   6.171  1.00  0.00           O
ATOM      0  H   SER A  36      -9.177  -2.036   3.542  1.00  0.00           H   new
ATOM      0  HA  SER A  36      -7.502  -2.149   5.788  1.00  0.00           H   new
ATOM      0  HB2 SER A  36      -9.531  -3.594   5.186  1.00  0.00           H   new
ATOM      0  HB3 SER A  36      -8.456  -4.515   4.152  1.00  0.00           H   new
ATOM      0  HG  SER A  36      -8.628  -5.432   6.278  1.00  0.00           H   new
ATOM    526  N   CYS A  37      -6.114  -2.844   2.964  1.00  0.00           N
ATOM    527  CA  CYS A  37      -4.864  -3.171   2.299  1.00  0.00           C
ATOM    528  C   CYS A  37      -4.010  -1.903   2.233  1.00  0.00           C
ATOM    529  O   CYS A  37      -2.872  -1.892   2.700  1.00  0.00           O
ATOM    530  CB  CYS A  37      -5.101  -3.772   0.913  1.00  0.00           C
ATOM    531  SG  CYS A  37      -5.726  -5.485   1.072  1.00  0.00           S
ATOM      0  H   CYS A  37      -6.838  -2.470   2.351  1.00  0.00           H   new
ATOM      0  HA  CYS A  37      -4.335  -3.935   2.868  1.00  0.00           H   new
ATOM      0  HB2 CYS A  37      -5.818  -3.164   0.362  1.00  0.00           H   new
ATOM      0  HB3 CYS A  37      -4.173  -3.766   0.342  1.00  0.00           H   new
ATOM      0  HG  CYS A  37      -7.001  -5.460   1.323  1.00  0.00           H   new
ATOM    537  N   LEU A  38      -4.591  -0.866   1.649  1.00  0.00           N
ATOM    538  CA  LEU A  38      -3.898   0.404   1.516  1.00  0.00           C
ATOM    539  C   LEU A  38      -3.245   0.766   2.852  1.00  0.00           C
ATOM    540  O   LEU A  38      -2.070   1.128   2.895  1.00  0.00           O
ATOM    541  CB  LEU A  38      -4.846   1.480   0.983  1.00  0.00           C
ATOM    542  CG  LEU A  38      -4.299   2.359  -0.143  1.00  0.00           C
ATOM    543  CD1 LEU A  38      -5.365   3.335  -0.644  1.00  0.00           C
ATOM    544  CD2 LEU A  38      -3.022   3.079   0.295  1.00  0.00           C
ATOM      0  H   LEU A  38      -5.535  -0.879   1.262  1.00  0.00           H   new
ATOM      0  HA  LEU A  38      -3.098   0.326   0.780  1.00  0.00           H   new
ATOM      0  HB2 LEU A  38      -5.754   0.992   0.628  1.00  0.00           H   new
ATOM      0  HB3 LEU A  38      -5.135   2.125   1.813  1.00  0.00           H   new
ATOM      0  HG  LEU A  38      -4.034   1.715  -0.981  1.00  0.00           H   new
ATOM      0 HD11 LEU A  38      -4.950   3.948  -1.444  1.00  0.00           H   new
ATOM      0 HD12 LEU A  38      -6.221   2.776  -1.022  1.00  0.00           H   new
ATOM      0 HD13 LEU A  38      -5.685   3.977   0.177  1.00  0.00           H   new
ATOM      0 HD21 LEU A  38      -2.654   3.697  -0.524  1.00  0.00           H   new
ATOM      0 HD22 LEU A  38      -3.238   3.710   1.157  1.00  0.00           H   new
ATOM      0 HD23 LEU A  38      -2.264   2.344   0.564  1.00  0.00           H   new
ATOM    556  N   ASP A  39      -4.036   0.657   3.909  1.00  0.00           N
ATOM    557  CA  ASP A  39      -3.550   0.969   5.243  1.00  0.00           C
ATOM    558  C   ASP A  39      -2.152   0.375   5.423  1.00  0.00           C
ATOM    559  O   ASP A  39      -1.190   1.103   5.663  1.00  0.00           O
ATOM    560  CB  ASP A  39      -4.461   0.368   6.315  1.00  0.00           C
ATOM    561  CG  ASP A  39      -4.963   1.360   7.366  1.00  0.00           C
ATOM    562  OD1 ASP A  39      -4.106   2.079   7.924  1.00  0.00           O
ATOM    563  OD2 ASP A  39      -6.193   1.376   7.589  1.00  0.00           O
ATOM      0  H   ASP A  39      -5.010   0.357   3.869  1.00  0.00           H   new
ATOM      0  HA  ASP A  39      -3.533   2.053   5.351  1.00  0.00           H   new
ATOM      0  HB2 ASP A  39      -5.322  -0.087   5.826  1.00  0.00           H   new
ATOM      0  HB3 ASP A  39      -3.922  -0.433   6.821  1.00  0.00           H   new
ATOM    568  N   HIS A  40      -2.083  -0.943   5.300  1.00  0.00           N
ATOM    569  CA  HIS A  40      -0.819  -1.643   5.447  1.00  0.00           C
ATOM    570  C   HIS A  40       0.277  -0.888   4.691  1.00  0.00           C
ATOM    571  O   HIS A  40       1.100  -0.207   5.300  1.00  0.00           O
ATOM    572  CB  HIS A  40      -0.950  -3.101   5.001  1.00  0.00           C
ATOM    573  CG  HIS A  40       0.363  -3.845   4.941  1.00  0.00           C
ATOM    574  ND1 HIS A  40       0.930  -4.456   6.046  1.00  0.00           N
ATOM    575  CD2 HIS A  40       1.212  -4.072   3.898  1.00  0.00           C
ATOM    576  CE1 HIS A  40       2.069  -5.020   5.673  1.00  0.00           C
ATOM    577  NE2 HIS A  40       2.242  -4.780   4.342  1.00  0.00           N
ATOM      0  H   HIS A  40      -2.883  -1.544   5.100  1.00  0.00           H   new
ATOM      0  HA  HIS A  40      -0.534  -1.670   6.499  1.00  0.00           H   new
ATOM      0  HB2 HIS A  40      -1.620  -3.621   5.686  1.00  0.00           H   new
ATOM      0  HB3 HIS A  40      -1.417  -3.129   4.016  1.00  0.00           H   new
ATOM      0  HD1 HIS A  40       0.538  -4.470   6.987  1.00  0.00           H   new
ATOM      0  HD2 HIS A  40       1.070  -3.733   2.883  1.00  0.00           H   new
ATOM      0  HE1 HIS A  40       2.742  -5.573   6.311  1.00  0.00           H   new
ATOM    585  N   MET A  41       0.251  -1.036   3.374  1.00  0.00           N
ATOM    586  CA  MET A  41       1.232  -0.376   2.528  1.00  0.00           C
ATOM    587  C   MET A  41       1.269   1.128   2.802  1.00  0.00           C
ATOM    588  O   MET A  41       2.227   1.806   2.434  1.00  0.00           O
ATOM    589  CB  MET A  41       0.883  -0.619   1.058  1.00  0.00           C
ATOM    590  CG  MET A  41       1.772  -1.711   0.458  1.00  0.00           C
ATOM    591  SD  MET A  41       1.707  -1.639  -1.325  1.00  0.00           S
ATOM    592  CE  MET A  41      -0.035  -1.325  -1.559  1.00  0.00           C
ATOM      0  H   MET A  41      -0.433  -1.603   2.872  1.00  0.00           H   new
ATOM      0  HA  MET A  41       2.215  -0.791   2.751  1.00  0.00           H   new
ATOM      0  HB2 MET A  41      -0.164  -0.909   0.972  1.00  0.00           H   new
ATOM      0  HB3 MET A  41       1.005   0.306   0.494  1.00  0.00           H   new
ATOM      0  HG2 MET A  41       2.800  -1.583   0.798  1.00  0.00           H   new
ATOM      0  HG3 MET A  41       1.442  -2.691   0.803  1.00  0.00           H   new
ATOM      0  HE1 MET A  41      -0.306  -1.530  -2.595  1.00  0.00           H   new
ATOM      0  HE2 MET A  41      -0.613  -1.971  -0.898  1.00  0.00           H   new
ATOM      0  HE3 MET A  41      -0.251  -0.282  -1.327  1.00  0.00           H   new
ATOM    602  N   ARG A  42       0.215   1.606   3.447  1.00  0.00           N
ATOM    603  CA  ARG A  42       0.115   3.018   3.775  1.00  0.00           C
ATOM    604  C   ARG A  42       0.813   3.305   5.105  1.00  0.00           C
ATOM    605  O   ARG A  42       1.029   4.463   5.460  1.00  0.00           O
ATOM    606  CB  ARG A  42      -1.347   3.460   3.869  1.00  0.00           C
ATOM    607  CG  ARG A  42      -1.469   4.801   4.595  1.00  0.00           C
ATOM    608  CD  ARG A  42      -2.711   5.565   4.130  1.00  0.00           C
ATOM    609  NE  ARG A  42      -2.793   6.868   4.827  1.00  0.00           N
ATOM    610  CZ  ARG A  42      -3.820   7.721   4.707  1.00  0.00           C
ATOM    611  NH1 ARG A  42      -4.857   7.413   3.916  1.00  0.00           N
ATOM    612  NH2 ARG A  42      -3.809   8.881   5.377  1.00  0.00           N
ATOM      0  H   ARG A  42      -0.577   1.040   3.751  1.00  0.00           H   new
ATOM      0  HA  ARG A  42       0.602   3.578   2.977  1.00  0.00           H   new
ATOM      0  HB2 ARG A  42      -1.770   3.545   2.868  1.00  0.00           H   new
ATOM      0  HB3 ARG A  42      -1.926   2.703   4.397  1.00  0.00           H   new
ATOM      0  HG2 ARG A  42      -1.523   4.633   5.671  1.00  0.00           H   new
ATOM      0  HG3 ARG A  42      -0.578   5.401   4.410  1.00  0.00           H   new
ATOM      0  HD2 ARG A  42      -2.670   5.722   3.052  1.00  0.00           H   new
ATOM      0  HD3 ARG A  42      -3.607   4.978   4.333  1.00  0.00           H   new
ATOM      0  HE  ARG A  42      -2.020   7.134   5.437  1.00  0.00           H   new
ATOM      0 HH11 ARG A  42      -4.865   6.530   3.406  1.00  0.00           H   new
ATOM      0 HH12 ARG A  42      -5.639   8.062   3.824  1.00  0.00           H   new
ATOM      0 HH21 ARG A  42      -3.019   9.115   5.978  1.00  0.00           H   new
ATOM      0 HH22 ARG A  42      -4.590   9.530   5.286  1.00  0.00           H   new
ATOM    626  N   GLU A  43       1.148   2.231   5.805  1.00  0.00           N
ATOM    627  CA  GLU A  43       1.817   2.353   7.089  1.00  0.00           C
ATOM    628  C   GLU A  43       3.335   2.297   6.903  1.00  0.00           C
ATOM    629  O   GLU A  43       4.077   2.957   7.629  1.00  0.00           O
ATOM    630  CB  GLU A  43       1.344   1.268   8.059  1.00  0.00           C
ATOM    631  CG  GLU A  43       1.660   1.652   9.506  1.00  0.00           C
ATOM    632  CD  GLU A  43       0.709   0.953  10.479  1.00  0.00           C
ATOM    633  OE1 GLU A  43      -0.511   1.195  10.353  1.00  0.00           O
ATOM    634  OE2 GLU A  43       1.222   0.191  11.327  1.00  0.00           O
ATOM      0  H   GLU A  43       0.969   1.272   5.507  1.00  0.00           H   new
ATOM      0  HA  GLU A  43       1.558   3.319   7.522  1.00  0.00           H   new
ATOM      0  HB2 GLU A  43       0.271   1.116   7.945  1.00  0.00           H   new
ATOM      0  HB3 GLU A  43       1.827   0.322   7.816  1.00  0.00           H   new
ATOM      0  HG2 GLU A  43       2.690   1.382   9.741  1.00  0.00           H   new
ATOM      0  HG3 GLU A  43       1.579   2.732   9.625  1.00  0.00           H   new
ATOM    641  N   VAL A  44       3.751   1.505   5.926  1.00  0.00           N
ATOM    642  CA  VAL A  44       5.167   1.355   5.636  1.00  0.00           C
ATOM    643  C   VAL A  44       5.566   2.348   4.542  1.00  0.00           C
ATOM    644  O   VAL A  44       6.478   3.151   4.731  1.00  0.00           O
ATOM    645  CB  VAL A  44       5.475  -0.097   5.267  1.00  0.00           C
ATOM    646  CG1 VAL A  44       4.724  -0.512   4.000  1.00  0.00           C
ATOM    647  CG2 VAL A  44       6.981  -0.315   5.108  1.00  0.00           C
ATOM      0  H   VAL A  44       3.132   0.960   5.325  1.00  0.00           H   new
ATOM      0  HA  VAL A  44       5.764   1.585   6.518  1.00  0.00           H   new
ATOM      0  HB  VAL A  44       5.129  -0.731   6.084  1.00  0.00           H   new
ATOM      0 HG11 VAL A  44       4.961  -1.549   3.760  1.00  0.00           H   new
ATOM      0 HG12 VAL A  44       3.651  -0.413   4.164  1.00  0.00           H   new
ATOM      0 HG13 VAL A  44       5.025   0.130   3.172  1.00  0.00           H   new
ATOM      0 HG21 VAL A  44       7.172  -1.356   4.846  1.00  0.00           H   new
ATOM      0 HG22 VAL A  44       7.361   0.334   4.319  1.00  0.00           H   new
ATOM      0 HG23 VAL A  44       7.484  -0.079   6.046  1.00  0.00           H   new
ATOM    657  N   LEU A  45       4.864   2.259   3.422  1.00  0.00           N
ATOM    658  CA  LEU A  45       5.134   3.139   2.298  1.00  0.00           C
ATOM    659  C   LEU A  45       4.371   4.452   2.488  1.00  0.00           C
ATOM    660  O   LEU A  45       4.950   5.532   2.381  1.00  0.00           O
ATOM    661  CB  LEU A  45       4.822   2.433   0.977  1.00  0.00           C
ATOM    662  CG  LEU A  45       5.546   1.107   0.738  1.00  0.00           C
ATOM    663  CD1 LEU A  45       4.551  -0.014   0.430  1.00  0.00           C
ATOM    664  CD2 LEU A  45       6.605   1.250  -0.357  1.00  0.00           C
ATOM      0  H   LEU A  45       4.109   1.591   3.269  1.00  0.00           H   new
ATOM      0  HA  LEU A  45       6.194   3.389   2.257  1.00  0.00           H   new
ATOM      0  HB2 LEU A  45       3.748   2.252   0.930  1.00  0.00           H   new
ATOM      0  HB3 LEU A  45       5.067   3.111   0.159  1.00  0.00           H   new
ATOM      0  HG  LEU A  45       6.066   0.832   1.656  1.00  0.00           H   new
ATOM      0 HD11 LEU A  45       5.092  -0.946   0.264  1.00  0.00           H   new
ATOM      0 HD12 LEU A  45       3.868  -0.136   1.271  1.00  0.00           H   new
ATOM      0 HD13 LEU A  45       3.983   0.240  -0.465  1.00  0.00           H   new
ATOM      0 HD21 LEU A  45       7.105   0.293  -0.507  1.00  0.00           H   new
ATOM      0 HD22 LEU A  45       6.128   1.560  -1.287  1.00  0.00           H   new
ATOM      0 HD23 LEU A  45       7.338   1.999  -0.058  1.00  0.00           H   new
ATOM    676  N   GLY A  46       3.083   4.315   2.768  1.00  0.00           N
ATOM    677  CA  GLY A  46       2.235   5.477   2.974  1.00  0.00           C
ATOM    678  C   GLY A  46       2.995   6.588   3.701  1.00  0.00           C
ATOM    679  O   GLY A  46       2.722   7.770   3.494  1.00  0.00           O
ATOM      0  H   GLY A  46       2.606   3.418   2.857  1.00  0.00           H   new
ATOM      0  HA2 GLY A  46       1.877   5.845   2.013  1.00  0.00           H   new
ATOM      0  HA3 GLY A  46       1.357   5.193   3.554  1.00  0.00           H   new
ATOM    683  N   ASP A  47       3.934   6.170   4.538  1.00  0.00           N
ATOM    684  CA  ASP A  47       4.735   7.116   5.296  1.00  0.00           C
ATOM    685  C   ASP A  47       5.070   8.318   4.412  1.00  0.00           C
ATOM    686  O   ASP A  47       4.735   9.453   4.748  1.00  0.00           O
ATOM    687  CB  ASP A  47       6.051   6.482   5.751  1.00  0.00           C
ATOM    688  CG  ASP A  47       6.037   5.911   7.170  1.00  0.00           C
ATOM    689  OD1 ASP A  47       4.921   5.764   7.712  1.00  0.00           O
ATOM    690  OD2 ASP A  47       7.144   5.634   7.682  1.00  0.00           O
ATOM      0  H   ASP A  47       4.158   5.189   4.708  1.00  0.00           H   new
ATOM      0  HA  ASP A  47       4.160   7.421   6.170  1.00  0.00           H   new
ATOM      0  HB2 ASP A  47       6.311   5.683   5.057  1.00  0.00           H   new
ATOM      0  HB3 ASP A  47       6.840   7.231   5.685  1.00  0.00           H   new
ATOM    695  N   ALA A  48       5.728   8.029   3.299  1.00  0.00           N
ATOM    696  CA  ALA A  48       6.112   9.072   2.363  1.00  0.00           C
ATOM    697  C   ALA A  48       5.283   8.936   1.085  1.00  0.00           C
ATOM    698  O   ALA A  48       4.870   9.935   0.498  1.00  0.00           O
ATOM    699  CB  ALA A  48       7.616   8.989   2.095  1.00  0.00           C
ATOM      0  H   ALA A  48       6.005   7.087   3.024  1.00  0.00           H   new
ATOM      0  HA  ALA A  48       5.910  10.057   2.783  1.00  0.00           H   new
ATOM      0  HB1 ALA A  48       7.904   9.771   1.393  1.00  0.00           H   new
ATOM      0  HB2 ALA A  48       8.160   9.122   3.030  1.00  0.00           H   new
ATOM      0  HB3 ALA A  48       7.857   8.014   1.671  1.00  0.00           H   new
ATOM    705  N   VAL A  49       5.065   7.690   0.689  1.00  0.00           N
ATOM    706  CA  VAL A  49       4.293   7.410  -0.509  1.00  0.00           C
ATOM    707  C   VAL A  49       2.830   7.787  -0.269  1.00  0.00           C
ATOM    708  O   VAL A  49       2.316   7.622   0.837  1.00  0.00           O
ATOM    709  CB  VAL A  49       4.473   5.946  -0.918  1.00  0.00           C
ATOM    710  CG1 VAL A  49       3.492   5.561  -2.026  1.00  0.00           C
ATOM    711  CG2 VAL A  49       5.917   5.670  -1.342  1.00  0.00           C
ATOM      0  H   VAL A  49       5.410   6.863   1.177  1.00  0.00           H   new
ATOM      0  HA  VAL A  49       4.652   8.014  -1.343  1.00  0.00           H   new
ATOM      0  HB  VAL A  49       4.255   5.326  -0.049  1.00  0.00           H   new
ATOM      0 HG11 VAL A  49       3.642   4.516  -2.297  1.00  0.00           H   new
ATOM      0 HG12 VAL A  49       2.471   5.701  -1.673  1.00  0.00           H   new
ATOM      0 HG13 VAL A  49       3.664   6.191  -2.899  1.00  0.00           H   new
ATOM      0 HG21 VAL A  49       6.019   4.623  -1.628  1.00  0.00           H   new
ATOM      0 HG22 VAL A  49       6.175   6.304  -2.190  1.00  0.00           H   new
ATOM      0 HG23 VAL A  49       6.588   5.886  -0.511  1.00  0.00           H   new
ATOM    721  N   PRO A  50       2.184   8.301  -1.349  1.00  0.00           N
ATOM    722  CA  PRO A  50       0.790   8.703  -1.266  1.00  0.00           C
ATOM    723  C   PRO A  50      -0.133   7.483  -1.250  1.00  0.00           C
ATOM    724  O   PRO A  50       0.322   6.358  -1.047  1.00  0.00           O
ATOM    725  CB  PRO A  50       0.567   9.601  -2.472  1.00  0.00           C
ATOM    726  CG  PRO A  50       1.704   9.296  -3.434  1.00  0.00           C
ATOM    727  CD  PRO A  50       2.760   8.511  -2.674  1.00  0.00           C
ATOM      0  HA  PRO A  50       0.560   9.234  -0.342  1.00  0.00           H   new
ATOM      0  HB2 PRO A  50      -0.400   9.402  -2.934  1.00  0.00           H   new
ATOM      0  HB3 PRO A  50       0.571  10.652  -2.183  1.00  0.00           H   new
ATOM      0  HG2 PRO A  50       1.340   8.721  -4.285  1.00  0.00           H   new
ATOM      0  HG3 PRO A  50       2.126  10.219  -3.831  1.00  0.00           H   new
ATOM      0  HD2 PRO A  50       2.979   7.563  -3.165  1.00  0.00           H   new
ATOM      0  HD3 PRO A  50       3.698   9.063  -2.615  1.00  0.00           H   new
ATOM    735  N   ASP A  51      -1.413   7.746  -1.468  1.00  0.00           N
ATOM    736  CA  ASP A  51      -2.404   6.684  -1.481  1.00  0.00           C
ATOM    737  C   ASP A  51      -2.588   6.182  -2.914  1.00  0.00           C
ATOM    738  O   ASP A  51      -2.543   4.978  -3.165  1.00  0.00           O
ATOM    739  CB  ASP A  51      -3.759   7.187  -0.978  1.00  0.00           C
ATOM    740  CG  ASP A  51      -3.894   7.270   0.543  1.00  0.00           C
ATOM    741  OD1 ASP A  51      -2.844   7.163   1.213  1.00  0.00           O
ATOM    742  OD2 ASP A  51      -5.044   7.439   1.002  1.00  0.00           O
ATOM      0  H   ASP A  51      -1.787   8.680  -1.637  1.00  0.00           H   new
ATOM      0  HA  ASP A  51      -2.051   5.886  -0.827  1.00  0.00           H   new
ATOM      0  HB2 ASP A  51      -3.941   8.176  -1.398  1.00  0.00           H   new
ATOM      0  HB3 ASP A  51      -4.539   6.529  -1.361  1.00  0.00           H   new
ATOM    747  N   ASP A  52      -2.792   7.129  -3.818  1.00  0.00           N
ATOM    748  CA  ASP A  52      -2.983   6.798  -5.219  1.00  0.00           C
ATOM    749  C   ASP A  52      -2.039   5.657  -5.603  1.00  0.00           C
ATOM    750  O   ASP A  52      -2.486   4.548  -5.894  1.00  0.00           O
ATOM    751  CB  ASP A  52      -2.666   7.996  -6.116  1.00  0.00           C
ATOM    752  CG  ASP A  52      -3.761   9.062  -6.184  1.00  0.00           C
ATOM    753  OD1 ASP A  52      -4.668   8.891  -7.027  1.00  0.00           O
ATOM    754  OD2 ASP A  52      -3.666  10.024  -5.392  1.00  0.00           O
ATOM      0  H   ASP A  52      -2.829   8.126  -3.607  1.00  0.00           H   new
ATOM      0  HA  ASP A  52      -4.025   6.509  -5.358  1.00  0.00           H   new
ATOM      0  HB2 ASP A  52      -1.747   8.463  -5.761  1.00  0.00           H   new
ATOM      0  HB3 ASP A  52      -2.470   7.633  -7.125  1.00  0.00           H   new
ATOM    759  N   ILE A  53      -0.751   5.967  -5.591  1.00  0.00           N
ATOM    760  CA  ILE A  53       0.259   4.982  -5.933  1.00  0.00           C
ATOM    761  C   ILE A  53      -0.143   3.623  -5.355  1.00  0.00           C
ATOM    762  O   ILE A  53      -0.279   2.647  -6.091  1.00  0.00           O
ATOM    763  CB  ILE A  53       1.643   5.455  -5.486  1.00  0.00           C
ATOM    764  CG1 ILE A  53       2.103   6.660  -6.309  1.00  0.00           C
ATOM    765  CG2 ILE A  53       2.656   4.309  -5.532  1.00  0.00           C
ATOM    766  CD1 ILE A  53       3.627   6.793  -6.283  1.00  0.00           C
ATOM      0  H   ILE A  53      -0.384   6.888  -5.349  1.00  0.00           H   new
ATOM      0  HA  ILE A  53       0.323   4.863  -7.015  1.00  0.00           H   new
ATOM      0  HB  ILE A  53       1.573   5.781  -4.448  1.00  0.00           H   new
ATOM      0 HG12 ILE A  53       1.761   6.553  -7.339  1.00  0.00           H   new
ATOM      0 HG13 ILE A  53       1.648   7.569  -5.915  1.00  0.00           H   new
ATOM      0 HG21 ILE A  53       3.632   4.673  -5.209  1.00  0.00           H   new
ATOM      0 HG22 ILE A  53       2.330   3.508  -4.869  1.00  0.00           H   new
ATOM      0 HG23 ILE A  53       2.729   3.929  -6.551  1.00  0.00           H   new
ATOM      0 HD11 ILE A  53       3.927   7.657  -6.876  1.00  0.00           H   new
ATOM      0 HD12 ILE A  53       3.963   6.924  -5.254  1.00  0.00           H   new
ATOM      0 HD13 ILE A  53       4.078   5.893  -6.700  1.00  0.00           H   new
ATOM    778  N   LEU A  54      -0.322   3.604  -4.043  1.00  0.00           N
ATOM    779  CA  LEU A  54      -0.705   2.382  -3.357  1.00  0.00           C
ATOM    780  C   LEU A  54      -1.996   1.839  -3.975  1.00  0.00           C
ATOM    781  O   LEU A  54      -2.043   0.691  -4.413  1.00  0.00           O
ATOM    782  CB  LEU A  54      -0.799   2.620  -1.849  1.00  0.00           C
ATOM    783  CG  LEU A  54       0.440   3.229  -1.188  1.00  0.00           C
ATOM    784  CD1 LEU A  54       0.190   3.505   0.296  1.00  0.00           C
ATOM    785  CD2 LEU A  54       1.669   2.345  -1.408  1.00  0.00           C
ATOM      0  H   LEU A  54      -0.209   4.416  -3.436  1.00  0.00           H   new
ATOM      0  HA  LEU A  54       0.060   1.616  -3.488  1.00  0.00           H   new
ATOM      0  HB2 LEU A  54      -1.648   3.276  -1.657  1.00  0.00           H   new
ATOM      0  HB3 LEU A  54      -1.015   1.668  -1.364  1.00  0.00           H   new
ATOM      0  HG  LEU A  54       0.644   4.188  -1.664  1.00  0.00           H   new
ATOM      0 HD11 LEU A  54       1.086   3.937   0.742  1.00  0.00           H   new
ATOM      0 HD12 LEU A  54      -0.641   4.203   0.401  1.00  0.00           H   new
ATOM      0 HD13 LEU A  54      -0.054   2.572   0.804  1.00  0.00           H   new
ATOM      0 HD21 LEU A  54       2.535   2.800  -0.928  1.00  0.00           H   new
ATOM      0 HD22 LEU A  54       1.491   1.360  -0.976  1.00  0.00           H   new
ATOM      0 HD23 LEU A  54       1.858   2.244  -2.477  1.00  0.00           H   new
ATOM    797  N   THR A  55      -3.010   2.691  -3.991  1.00  0.00           N
ATOM    798  CA  THR A  55      -4.298   2.311  -4.548  1.00  0.00           C
ATOM    799  C   THR A  55      -4.113   1.650  -5.915  1.00  0.00           C
ATOM    800  O   THR A  55      -4.536   0.513  -6.121  1.00  0.00           O
ATOM    801  CB  THR A  55      -5.181   3.560  -4.591  1.00  0.00           C
ATOM    802  OG1 THR A  55      -5.579   3.751  -3.236  1.00  0.00           O
ATOM    803  CG2 THR A  55      -6.496   3.322  -5.336  1.00  0.00           C
ATOM      0  H   THR A  55      -2.966   3.643  -3.627  1.00  0.00           H   new
ATOM      0  HA  THR A  55      -4.794   1.566  -3.926  1.00  0.00           H   new
ATOM      0  HB  THR A  55      -4.635   4.374  -5.069  1.00  0.00           H   new
ATOM      0  HG1 THR A  55      -6.154   4.542  -3.172  1.00  0.00           H   new
ATOM      0 HG21 THR A  55      -7.085   4.239  -5.337  1.00  0.00           H   new
ATOM      0 HG22 THR A  55      -6.284   3.026  -6.363  1.00  0.00           H   new
ATOM      0 HG23 THR A  55      -7.058   2.531  -4.839  1.00  0.00           H   new
ATOM    811  N   GLU A  56      -3.481   2.390  -6.814  1.00  0.00           N
ATOM    812  CA  GLU A  56      -3.235   1.889  -8.156  1.00  0.00           C
ATOM    813  C   GLU A  56      -2.659   0.472  -8.097  1.00  0.00           C
ATOM    814  O   GLU A  56      -3.203  -0.448  -8.704  1.00  0.00           O
ATOM    815  CB  GLU A  56      -2.306   2.826  -8.929  1.00  0.00           C
ATOM    816  CG  GLU A  56      -3.106   3.791  -9.807  1.00  0.00           C
ATOM    817  CD  GLU A  56      -2.181   4.776 -10.524  1.00  0.00           C
ATOM    818  OE1 GLU A  56      -1.045   4.360 -10.841  1.00  0.00           O
ATOM    819  OE2 GLU A  56      -2.630   5.922 -10.740  1.00  0.00           O
ATOM      0  H   GLU A  56      -3.132   3.332  -6.640  1.00  0.00           H   new
ATOM      0  HA  GLU A  56      -4.185   1.852  -8.688  1.00  0.00           H   new
ATOM      0  HB2 GLU A  56      -1.690   3.391  -8.230  1.00  0.00           H   new
ATOM      0  HB3 GLU A  56      -1.628   2.241  -9.550  1.00  0.00           H   new
ATOM      0  HG2 GLU A  56      -3.682   3.228 -10.541  1.00  0.00           H   new
ATOM      0  HG3 GLU A  56      -3.821   4.339  -9.193  1.00  0.00           H   new
ATOM    826  N   ALA A  57      -1.566   0.342  -7.359  1.00  0.00           N
ATOM    827  CA  ALA A  57      -0.911  -0.946  -7.213  1.00  0.00           C
ATOM    828  C   ALA A  57      -1.965  -2.021  -6.940  1.00  0.00           C
ATOM    829  O   ALA A  57      -1.992  -3.053  -7.609  1.00  0.00           O
ATOM    830  CB  ALA A  57       0.138  -0.862  -6.102  1.00  0.00           C
ATOM      0  H   ALA A  57      -1.118   1.108  -6.856  1.00  0.00           H   new
ATOM      0  HA  ALA A  57      -0.392  -1.219  -8.132  1.00  0.00           H   new
ATOM      0  HB1 ALA A  57       0.630  -1.829  -5.992  1.00  0.00           H   new
ATOM      0  HB2 ALA A  57       0.879  -0.105  -6.358  1.00  0.00           H   new
ATOM      0  HB3 ALA A  57      -0.347  -0.593  -5.164  1.00  0.00           H   new
ATOM    836  N   ILE A  58      -2.807  -1.743  -5.955  1.00  0.00           N
ATOM    837  CA  ILE A  58      -3.860  -2.673  -5.586  1.00  0.00           C
ATOM    838  C   ILE A  58      -4.675  -3.035  -6.829  1.00  0.00           C
ATOM    839  O   ILE A  58      -4.748  -4.203  -7.209  1.00  0.00           O
ATOM    840  CB  ILE A  58      -4.703  -2.102  -4.443  1.00  0.00           C
ATOM    841  CG1 ILE A  58      -3.878  -1.983  -3.160  1.00  0.00           C
ATOM    842  CG2 ILE A  58      -5.974  -2.928  -4.234  1.00  0.00           C
ATOM    843  CD1 ILE A  58      -4.249  -0.717  -2.386  1.00  0.00           C
ATOM      0  H   ILE A  58      -2.781  -0.887  -5.401  1.00  0.00           H   new
ATOM      0  HA  ILE A  58      -3.432  -3.600  -5.204  1.00  0.00           H   new
ATOM      0  HB  ILE A  58      -5.016  -1.095  -4.719  1.00  0.00           H   new
ATOM      0 HG12 ILE A  58      -4.045  -2.859  -2.533  1.00  0.00           H   new
ATOM      0 HG13 ILE A  58      -2.816  -1.965  -3.406  1.00  0.00           H   new
ATOM      0 HG21 ILE A  58      -6.555  -2.501  -3.416  1.00  0.00           H   new
ATOM      0 HG22 ILE A  58      -6.570  -2.917  -5.147  1.00  0.00           H   new
ATOM      0 HG23 ILE A  58      -5.704  -3.955  -3.990  1.00  0.00           H   new
ATOM      0 HD11 ILE A  58      -3.648  -0.656  -1.478  1.00  0.00           H   new
ATOM      0 HD12 ILE A  58      -4.058   0.158  -3.007  1.00  0.00           H   new
ATOM      0 HD13 ILE A  58      -5.306  -0.750  -2.120  1.00  0.00           H   new
ATOM    855  N   LEU A  59      -5.265  -2.012  -7.429  1.00  0.00           N
ATOM    856  CA  LEU A  59      -6.072  -2.208  -8.622  1.00  0.00           C
ATOM    857  C   LEU A  59      -5.191  -2.768  -9.741  1.00  0.00           C
ATOM    858  O   LEU A  59      -5.699  -3.255 -10.750  1.00  0.00           O
ATOM    859  CB  LEU A  59      -6.795  -0.914  -8.998  1.00  0.00           C
ATOM    860  CG  LEU A  59      -7.628  -0.265  -7.891  1.00  0.00           C
ATOM    861  CD1 LEU A  59      -8.040  -1.296  -6.839  1.00  0.00           C
ATOM    862  CD2 LEU A  59      -6.888   0.922  -7.271  1.00  0.00           C
ATOM      0  H   LEU A  59      -5.201  -1.045  -7.112  1.00  0.00           H   new
ATOM      0  HA  LEU A  59      -6.857  -2.941  -8.436  1.00  0.00           H   new
ATOM      0  HB2 LEU A  59      -6.052  -0.192  -9.337  1.00  0.00           H   new
ATOM      0  HB3 LEU A  59      -7.450  -1.120  -9.845  1.00  0.00           H   new
ATOM      0  HG  LEU A  59      -8.543   0.124  -8.337  1.00  0.00           H   new
ATOM      0 HD11 LEU A  59      -8.631  -0.808  -6.064  1.00  0.00           H   new
ATOM      0 HD12 LEU A  59      -8.634  -2.079  -7.310  1.00  0.00           H   new
ATOM      0 HD13 LEU A  59      -7.149  -1.736  -6.393  1.00  0.00           H   new
ATOM      0 HD21 LEU A  59      -7.503   1.365  -6.487  1.00  0.00           H   new
ATOM      0 HD22 LEU A  59      -5.945   0.580  -6.843  1.00  0.00           H   new
ATOM      0 HD23 LEU A  59      -6.688   1.668  -8.040  1.00  0.00           H   new
ATOM    874  N   LYS A  60      -3.887  -2.680  -9.525  1.00  0.00           N
ATOM    875  CA  LYS A  60      -2.931  -3.171 -10.502  1.00  0.00           C
ATOM    876  C   LYS A  60      -2.897  -4.700 -10.452  1.00  0.00           C
ATOM    877  O   LYS A  60      -2.497  -5.348 -11.418  1.00  0.00           O
ATOM    878  CB  LYS A  60      -1.564  -2.519 -10.290  1.00  0.00           C
ATOM    879  CG  LYS A  60      -0.781  -2.447 -11.603  1.00  0.00           C
ATOM    880  CD  LYS A  60      -1.099  -1.157 -12.362  1.00  0.00           C
ATOM    881  CE  LYS A  60      -2.464  -1.247 -13.047  1.00  0.00           C
ATOM    882  NZ  LYS A  60      -2.540  -0.294 -14.177  1.00  0.00           N
ATOM      0  H   LYS A  60      -3.470  -2.275  -8.687  1.00  0.00           H   new
ATOM      0  HA  LYS A  60      -3.239  -2.891 -11.509  1.00  0.00           H   new
ATOM      0  HB2 LYS A  60      -1.695  -1.516  -9.885  1.00  0.00           H   new
ATOM      0  HB3 LYS A  60      -0.996  -3.088  -9.554  1.00  0.00           H   new
ATOM      0  HG2 LYS A  60       0.288  -2.497 -11.396  1.00  0.00           H   new
ATOM      0  HG3 LYS A  60      -1.026  -3.308 -12.224  1.00  0.00           H   new
ATOM      0  HD2 LYS A  60      -1.089  -0.313 -11.672  1.00  0.00           H   new
ATOM      0  HD3 LYS A  60      -0.326  -0.969 -13.107  1.00  0.00           H   new
ATOM      0  HE2 LYS A  60      -2.630  -2.262 -13.408  1.00  0.00           H   new
ATOM      0  HE3 LYS A  60      -3.254  -1.031 -12.327  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  60      -3.473  -0.368 -14.631  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  60      -2.402   0.675 -13.824  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  60      -1.798  -0.518 -14.871  1.00  0.00           H   new
ATOM    896  N   HIS A  61      -3.323  -5.233  -9.316  1.00  0.00           N
ATOM    897  CA  HIS A  61      -3.346  -6.673  -9.127  1.00  0.00           C
ATOM    898  C   HIS A  61      -4.679  -7.087  -8.499  1.00  0.00           C
ATOM    899  O   HIS A  61      -4.735  -8.042  -7.726  1.00  0.00           O
ATOM    900  CB  HIS A  61      -2.137  -7.133  -8.309  1.00  0.00           C
ATOM    901  CG  HIS A  61      -0.853  -6.419  -8.656  1.00  0.00           C
ATOM    902  ND1 HIS A  61      -0.315  -6.420  -9.931  1.00  0.00           N
ATOM    903  CD2 HIS A  61      -0.007  -5.680  -7.882  1.00  0.00           C
ATOM    904  CE1 HIS A  61       0.804  -5.712  -9.914  1.00  0.00           C
ATOM    905  NE2 HIS A  61       0.994  -5.254  -8.643  1.00  0.00           N
ATOM      0  H   HIS A  61      -3.655  -4.693  -8.517  1.00  0.00           H   new
ATOM      0  HA  HIS A  61      -3.269  -7.172 -10.093  1.00  0.00           H   new
ATOM      0  HB2 HIS A  61      -2.349  -6.983  -7.250  1.00  0.00           H   new
ATOM      0  HB3 HIS A  61      -1.997  -8.204  -8.458  1.00  0.00           H   new
ATOM      0  HD2 HIS A  61      -0.131  -5.476  -6.829  1.00  0.00           H   new
ATOM      0  HE1 HIS A  61       1.452  -5.529 -10.758  1.00  0.00           H   new
ATOM      0  HE2 HIS A  61       1.776  -4.679  -8.329  1.00  0.00           H   new
ATOM    913  N   LYS A  62      -5.719  -6.347  -8.855  1.00  0.00           N
ATOM    914  CA  LYS A  62      -7.047  -6.625  -8.336  1.00  0.00           C
ATOM    915  C   LYS A  62      -6.943  -7.012  -6.859  1.00  0.00           C
ATOM    916  O   LYS A  62      -7.186  -8.161  -6.496  1.00  0.00           O
ATOM    917  CB  LYS A  62      -7.750  -7.675  -9.198  1.00  0.00           C
ATOM    918  CG  LYS A  62      -8.739  -7.019 -10.164  1.00  0.00           C
ATOM    919  CD  LYS A  62     -10.143  -6.964  -9.557  1.00  0.00           C
ATOM    920  CE  LYS A  62     -10.375  -5.636  -8.833  1.00  0.00           C
ATOM    921  NZ  LYS A  62     -11.824  -5.355  -8.719  1.00  0.00           N
ATOM      0  H   LYS A  62      -5.669  -5.556  -9.496  1.00  0.00           H   new
ATOM      0  HA  LYS A  62      -7.671  -5.733  -8.389  1.00  0.00           H   new
ATOM      0  HB2 LYS A  62      -7.010  -8.244  -9.761  1.00  0.00           H   new
ATOM      0  HB3 LYS A  62      -8.277  -8.383  -8.558  1.00  0.00           H   new
ATOM      0  HG2 LYS A  62      -8.403  -6.010 -10.405  1.00  0.00           H   new
ATOM      0  HG3 LYS A  62      -8.765  -7.578 -11.099  1.00  0.00           H   new
ATOM      0  HD2 LYS A  62     -10.888  -7.089 -10.343  1.00  0.00           H   new
ATOM      0  HD3 LYS A  62     -10.274  -7.791  -8.859  1.00  0.00           H   new
ATOM      0  HE2 LYS A  62      -9.926  -5.673  -7.840  1.00  0.00           H   new
ATOM      0  HE3 LYS A  62      -9.883  -4.828  -9.375  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  62     -11.964  -4.450  -8.225  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  62     -12.243  -5.299  -9.669  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  62     -12.284  -6.117  -8.182  1.00  0.00           H   new
ATOM    935  N   PHE A  63      -6.580  -6.029  -6.048  1.00  0.00           N
ATOM    936  CA  PHE A  63      -6.441  -6.252  -4.619  1.00  0.00           C
ATOM    937  C   PHE A  63      -5.464  -7.395  -4.335  1.00  0.00           C
ATOM    938  O   PHE A  63      -5.869  -8.552  -4.235  1.00  0.00           O
ATOM    939  CB  PHE A  63      -7.824  -6.636  -4.089  1.00  0.00           C
ATOM    940  CG  PHE A  63      -8.839  -5.491  -4.112  1.00  0.00           C
ATOM    941  CD1 PHE A  63      -9.183  -4.912  -5.293  1.00  0.00           C
ATOM    942  CD2 PHE A  63      -9.396  -5.053  -2.952  1.00  0.00           C
ATOM    943  CE1 PHE A  63     -10.125  -3.849  -5.315  1.00  0.00           C
ATOM    944  CE2 PHE A  63     -10.338  -3.990  -2.973  1.00  0.00           C
ATOM    945  CZ  PHE A  63     -10.683  -3.411  -4.155  1.00  0.00           C
ATOM      0  H   PHE A  63      -6.378  -5.077  -6.353  1.00  0.00           H   new
ATOM      0  HA  PHE A  63      -6.056  -5.353  -4.138  1.00  0.00           H   new
ATOM      0  HB2 PHE A  63      -8.212  -7.464  -4.682  1.00  0.00           H   new
ATOM      0  HB3 PHE A  63      -7.722  -6.997  -3.066  1.00  0.00           H   new
ATOM      0  HD1 PHE A  63      -8.740  -5.260  -6.214  1.00  0.00           H   new
ATOM      0  HD2 PHE A  63      -9.122  -5.513  -2.014  1.00  0.00           H   new
ATOM      0  HE1 PHE A  63     -10.398  -3.389  -6.253  1.00  0.00           H   new
ATOM      0  HE2 PHE A  63     -10.780  -3.642  -2.051  1.00  0.00           H   new
ATOM      0  HZ  PHE A  63     -11.400  -2.604  -4.172  1.00  0.00           H   new
ATOM    955  N   ASP A  64      -4.196  -7.031  -4.214  1.00  0.00           N
ATOM    956  CA  ASP A  64      -3.158  -8.011  -3.943  1.00  0.00           C
ATOM    957  C   ASP A  64      -1.906  -7.295  -3.433  1.00  0.00           C
ATOM    958  O   ASP A  64      -0.991  -7.011  -4.204  1.00  0.00           O
ATOM    959  CB  ASP A  64      -2.780  -8.777  -5.213  1.00  0.00           C
ATOM    960  CG  ASP A  64      -3.158 -10.259  -5.210  1.00  0.00           C
ATOM    961  OD1 ASP A  64      -3.434 -10.773  -4.104  1.00  0.00           O
ATOM    962  OD2 ASP A  64      -3.163 -10.846  -6.314  1.00  0.00           O
ATOM      0  H   ASP A  64      -3.864  -6.070  -4.299  1.00  0.00           H   new
ATOM      0  HA  ASP A  64      -3.540  -8.710  -3.199  1.00  0.00           H   new
ATOM      0  HB2 ASP A  64      -3.260  -8.297  -6.066  1.00  0.00           H   new
ATOM      0  HB3 ASP A  64      -1.704  -8.692  -5.364  1.00  0.00           H   new
ATOM    967  N   VAL A  65      -1.906  -7.023  -2.136  1.00  0.00           N
ATOM    968  CA  VAL A  65      -0.782  -6.345  -1.513  1.00  0.00           C
ATOM    969  C   VAL A  65       0.496  -7.147  -1.769  1.00  0.00           C
ATOM    970  O   VAL A  65       1.472  -6.615  -2.297  1.00  0.00           O
ATOM    971  CB  VAL A  65      -1.062  -6.125  -0.026  1.00  0.00           C
ATOM    972  CG1 VAL A  65       0.190  -5.630   0.701  1.00  0.00           C
ATOM    973  CG2 VAL A  65      -2.231  -5.158   0.175  1.00  0.00           C
ATOM      0  H   VAL A  65      -2.667  -7.260  -1.499  1.00  0.00           H   new
ATOM      0  HA  VAL A  65      -0.640  -5.357  -1.952  1.00  0.00           H   new
ATOM      0  HB  VAL A  65      -1.343  -7.085   0.407  1.00  0.00           H   new
ATOM      0 HG11 VAL A  65      -0.037  -5.482   1.757  1.00  0.00           H   new
ATOM      0 HG12 VAL A  65       0.985  -6.369   0.601  1.00  0.00           H   new
ATOM      0 HG13 VAL A  65       0.515  -4.686   0.264  1.00  0.00           H   new
ATOM      0 HG21 VAL A  65      -2.409  -5.019   1.241  1.00  0.00           H   new
ATOM      0 HG22 VAL A  65      -1.991  -4.197  -0.281  1.00  0.00           H   new
ATOM      0 HG23 VAL A  65      -3.127  -5.568  -0.292  1.00  0.00           H   new
ATOM    983  N   GLN A  66       0.450  -8.413  -1.382  1.00  0.00           N
ATOM    984  CA  GLN A  66       1.592  -9.293  -1.563  1.00  0.00           C
ATOM    985  C   GLN A  66       2.283  -8.999  -2.896  1.00  0.00           C
ATOM    986  O   GLN A  66       3.504  -9.105  -3.003  1.00  0.00           O
ATOM    987  CB  GLN A  66       1.171 -10.762  -1.475  1.00  0.00           C
ATOM    988  CG  GLN A  66       1.581 -11.370  -0.133  1.00  0.00           C
ATOM    989  CD  GLN A  66       2.052 -12.815  -0.306  1.00  0.00           C
ATOM    990  OE1 GLN A  66       1.785 -13.467  -1.303  1.00  0.00           O
ATOM    991  NE2 GLN A  66       2.766 -13.278   0.716  1.00  0.00           N
ATOM      0  H   GLN A  66      -0.360  -8.851  -0.944  1.00  0.00           H   new
ATOM      0  HA  GLN A  66       2.303  -9.104  -0.759  1.00  0.00           H   new
ATOM      0  HB2 GLN A  66       0.091 -10.843  -1.600  1.00  0.00           H   new
ATOM      0  HB3 GLN A  66       1.629 -11.325  -2.288  1.00  0.00           H   new
ATOM      0  HG2 GLN A  66       2.379 -10.775   0.311  1.00  0.00           H   new
ATOM      0  HG3 GLN A  66       0.738 -11.339   0.557  1.00  0.00           H   new
ATOM      0 HE21 GLN A  66       2.953 -12.679   1.520  1.00  0.00           H   new
ATOM      0 HE22 GLN A  66       3.127 -14.232   0.696  1.00  0.00           H   new
ATOM   1000  N   LYS A  67       1.472  -8.636  -3.879  1.00  0.00           N
ATOM   1001  CA  LYS A  67       1.990  -8.326  -5.200  1.00  0.00           C
ATOM   1002  C   LYS A  67       2.232  -6.819  -5.308  1.00  0.00           C
ATOM   1003  O   LYS A  67       3.335  -6.386  -5.638  1.00  0.00           O
ATOM   1004  CB  LYS A  67       1.062  -8.879  -6.283  1.00  0.00           C
ATOM   1005  CG  LYS A  67       1.664  -8.680  -7.676  1.00  0.00           C
ATOM   1006  CD  LYS A  67       2.319  -9.968  -8.179  1.00  0.00           C
ATOM   1007  CE  LYS A  67       2.898  -9.776  -9.582  1.00  0.00           C
ATOM   1008  NZ  LYS A  67       2.752 -11.016 -10.377  1.00  0.00           N
ATOM      0  H   LYS A  67       0.460  -8.550  -3.787  1.00  0.00           H   new
ATOM      0  HA  LYS A  67       2.951  -8.815  -5.356  1.00  0.00           H   new
ATOM      0  HB2 LYS A  67       0.885  -9.940  -6.108  1.00  0.00           H   new
ATOM      0  HB3 LYS A  67       0.094  -8.381  -6.227  1.00  0.00           H   new
ATOM      0  HG2 LYS A  67       0.885  -8.368  -8.372  1.00  0.00           H   new
ATOM      0  HG3 LYS A  67       2.403  -7.880  -7.646  1.00  0.00           H   new
ATOM      0  HD2 LYS A  67       3.111 -10.270  -7.493  1.00  0.00           H   new
ATOM      0  HD3 LYS A  67       1.584 -10.773  -8.192  1.00  0.00           H   new
ATOM      0  HE2 LYS A  67       2.388  -8.954 -10.083  1.00  0.00           H   new
ATOM      0  HE3 LYS A  67       3.951  -9.503  -9.513  1.00  0.00           H   new
ATOM      0  HZ1 LYS A  67       3.150 -10.869 -11.326  1.00  0.00           H   new
ATOM      0  HZ2 LYS A  67       3.259 -11.792  -9.906  1.00  0.00           H   new
ATOM      0  HZ3 LYS A  67       1.744 -11.260 -10.458  1.00  0.00           H   new
ATOM   1022  N   ALA A  68       1.183  -6.062  -5.023  1.00  0.00           N
ATOM   1023  CA  ALA A  68       1.268  -4.613  -5.084  1.00  0.00           C
ATOM   1024  C   ALA A  68       2.529  -4.149  -4.353  1.00  0.00           C
ATOM   1025  O   ALA A  68       3.149  -3.161  -4.744  1.00  0.00           O
ATOM   1026  CB  ALA A  68      -0.005  -4.002  -4.495  1.00  0.00           C
ATOM      0  H   ALA A  68       0.270  -6.425  -4.749  1.00  0.00           H   new
ATOM      0  HA  ALA A  68       1.344  -4.276  -6.118  1.00  0.00           H   new
ATOM      0  HB1 ALA A  68       0.058  -2.915  -4.541  1.00  0.00           H   new
ATOM      0  HB2 ALA A  68      -0.869  -4.339  -5.067  1.00  0.00           H   new
ATOM      0  HB3 ALA A  68      -0.113  -4.316  -3.457  1.00  0.00           H   new
ATOM   1032  N   LEU A  69       2.871  -4.883  -3.305  1.00  0.00           N
ATOM   1033  CA  LEU A  69       4.048  -4.560  -2.516  1.00  0.00           C
ATOM   1034  C   LEU A  69       5.304  -4.938  -3.303  1.00  0.00           C
ATOM   1035  O   LEU A  69       6.251  -4.156  -3.381  1.00  0.00           O
ATOM   1036  CB  LEU A  69       3.965  -5.216  -1.137  1.00  0.00           C
ATOM   1037  CG  LEU A  69       3.488  -4.318   0.006  1.00  0.00           C
ATOM   1038  CD1 LEU A  69       3.199  -5.139   1.265  1.00  0.00           C
ATOM   1039  CD2 LEU A  69       4.490  -3.193   0.273  1.00  0.00           C
ATOM      0  H   LEU A  69       2.354  -5.701  -2.983  1.00  0.00           H   new
ATOM      0  HA  LEU A  69       4.099  -3.487  -2.330  1.00  0.00           H   new
ATOM      0  HB2 LEU A  69       3.294  -6.072  -1.204  1.00  0.00           H   new
ATOM      0  HB3 LEU A  69       4.951  -5.603  -0.881  1.00  0.00           H   new
ATOM      0  HG  LEU A  69       2.551  -3.850  -0.295  1.00  0.00           H   new
ATOM      0 HD11 LEU A  69       2.862  -4.476   2.062  1.00  0.00           H   new
ATOM      0 HD12 LEU A  69       2.422  -5.873   1.050  1.00  0.00           H   new
ATOM      0 HD13 LEU A  69       4.107  -5.653   1.581  1.00  0.00           H   new
ATOM      0 HD21 LEU A  69       4.127  -2.569   1.090  1.00  0.00           H   new
ATOM      0 HD22 LEU A  69       5.455  -3.622   0.545  1.00  0.00           H   new
ATOM      0 HD23 LEU A  69       4.603  -2.586  -0.625  1.00  0.00           H   new
ATOM   1051  N   SER A  70       5.272  -6.136  -3.867  1.00  0.00           N
ATOM   1052  CA  SER A  70       6.397  -6.627  -4.645  1.00  0.00           C
ATOM   1053  C   SER A  70       6.697  -5.665  -5.796  1.00  0.00           C
ATOM   1054  O   SER A  70       7.840  -5.558  -6.238  1.00  0.00           O
ATOM   1055  CB  SER A  70       6.121  -8.032  -5.186  1.00  0.00           C
ATOM   1056  OG  SER A  70       7.227  -8.908  -4.984  1.00  0.00           O
ATOM      0  H   SER A  70       4.485  -6.781  -3.801  1.00  0.00           H   new
ATOM      0  HA  SER A  70       7.267  -6.683  -3.991  1.00  0.00           H   new
ATOM      0  HB2 SER A  70       5.239  -8.443  -4.695  1.00  0.00           H   new
ATOM      0  HB3 SER A  70       5.895  -7.973  -6.251  1.00  0.00           H   new
ATOM      0  HG  SER A  70       7.011  -9.795  -5.341  1.00  0.00           H   new
ATOM   1062  N   VAL A  71       5.651  -4.989  -6.248  1.00  0.00           N
ATOM   1063  CA  VAL A  71       5.788  -4.040  -7.339  1.00  0.00           C
ATOM   1064  C   VAL A  71       6.050  -2.645  -6.766  1.00  0.00           C
ATOM   1065  O   VAL A  71       6.937  -1.934  -7.235  1.00  0.00           O
ATOM   1066  CB  VAL A  71       4.552  -4.094  -8.239  1.00  0.00           C
ATOM   1067  CG1 VAL A  71       4.668  -3.093  -9.391  1.00  0.00           C
ATOM   1068  CG2 VAL A  71       4.318  -5.511  -8.765  1.00  0.00           C
ATOM      0  H   VAL A  71       4.705  -5.080  -5.878  1.00  0.00           H   new
ATOM      0  HA  VAL A  71       6.641  -4.300  -7.966  1.00  0.00           H   new
ATOM      0  HB  VAL A  71       3.687  -3.813  -7.638  1.00  0.00           H   new
ATOM      0 HG11 VAL A  71       3.776  -3.152 -10.015  1.00  0.00           H   new
ATOM      0 HG12 VAL A  71       4.763  -2.085  -8.989  1.00  0.00           H   new
ATOM      0 HG13 VAL A  71       5.547  -3.329  -9.991  1.00  0.00           H   new
ATOM      0 HG21 VAL A  71       3.433  -5.521  -9.402  1.00  0.00           H   new
ATOM      0 HG22 VAL A  71       5.185  -5.832  -9.343  1.00  0.00           H   new
ATOM      0 HG23 VAL A  71       4.169  -6.191  -7.926  1.00  0.00           H   new
ATOM   1078  N   VAL A  72       5.262  -2.297  -5.760  1.00  0.00           N
ATOM   1079  CA  VAL A  72       5.397  -1.000  -5.118  1.00  0.00           C
ATOM   1080  C   VAL A  72       6.826  -0.842  -4.594  1.00  0.00           C
ATOM   1081  O   VAL A  72       7.456   0.194  -4.801  1.00  0.00           O
ATOM   1082  CB  VAL A  72       4.339  -0.845  -4.024  1.00  0.00           C
ATOM   1083  CG1 VAL A  72       4.728   0.258  -3.037  1.00  0.00           C
ATOM   1084  CG2 VAL A  72       2.959  -0.578  -4.629  1.00  0.00           C
ATOM      0  H   VAL A  72       4.528  -2.890  -5.373  1.00  0.00           H   new
ATOM      0  HA  VAL A  72       5.223  -0.198  -5.836  1.00  0.00           H   new
ATOM      0  HB  VAL A  72       4.287  -1.784  -3.473  1.00  0.00           H   new
ATOM      0 HG11 VAL A  72       3.959   0.347  -2.270  1.00  0.00           H   new
ATOM      0 HG12 VAL A  72       5.680   0.008  -2.569  1.00  0.00           H   new
ATOM      0 HG13 VAL A  72       4.822   1.205  -3.568  1.00  0.00           H   new
ATOM      0 HG21 VAL A  72       2.226  -0.472  -3.830  1.00  0.00           H   new
ATOM      0 HG22 VAL A  72       2.991   0.340  -5.217  1.00  0.00           H   new
ATOM      0 HG23 VAL A  72       2.676  -1.411  -5.272  1.00  0.00           H   new
ATOM   1094  N   LEU A  73       7.296  -1.885  -3.926  1.00  0.00           N
ATOM   1095  CA  LEU A  73       8.639  -1.875  -3.371  1.00  0.00           C
ATOM   1096  C   LEU A  73       9.623  -1.388  -4.437  1.00  0.00           C
ATOM   1097  O   LEU A  73      10.230  -0.329  -4.289  1.00  0.00           O
ATOM   1098  CB  LEU A  73       8.990  -3.247  -2.791  1.00  0.00           C
ATOM   1099  CG  LEU A  73       8.648  -3.458  -1.315  1.00  0.00           C
ATOM   1100  CD1 LEU A  73       8.740  -4.938  -0.937  1.00  0.00           C
ATOM   1101  CD2 LEU A  73       9.525  -2.582  -0.418  1.00  0.00           C
ATOM      0  H   LEU A  73       6.771  -2.743  -3.756  1.00  0.00           H   new
ATOM      0  HA  LEU A  73       8.701  -1.177  -2.536  1.00  0.00           H   new
ATOM      0  HB2 LEU A  73       8.475  -4.009  -3.375  1.00  0.00           H   new
ATOM      0  HB3 LEU A  73      10.059  -3.413  -2.923  1.00  0.00           H   new
ATOM      0  HG  LEU A  73       7.615  -3.149  -1.156  1.00  0.00           H   new
ATOM      0 HD11 LEU A  73       8.492  -5.060   0.117  1.00  0.00           H   new
ATOM      0 HD12 LEU A  73       8.040  -5.513  -1.543  1.00  0.00           H   new
ATOM      0 HD13 LEU A  73       9.754  -5.297  -1.115  1.00  0.00           H   new
ATOM      0 HD21 LEU A  73       9.261  -2.751   0.626  1.00  0.00           H   new
ATOM      0 HD22 LEU A  73      10.573  -2.837  -0.573  1.00  0.00           H   new
ATOM      0 HD23 LEU A  73       9.366  -1.533  -0.667  1.00  0.00           H   new
ATOM   1113  N   GLU A  74       9.750  -2.185  -5.487  1.00  0.00           N
ATOM   1114  CA  GLU A  74      10.650  -1.849  -6.578  1.00  0.00           C
ATOM   1115  C   GLU A  74      10.341  -0.447  -7.108  1.00  0.00           C
ATOM   1116  O   GLU A  74      11.220   0.411  -7.152  1.00  0.00           O
ATOM   1117  CB  GLU A  74      10.568  -2.889  -7.697  1.00  0.00           C
ATOM   1118  CG  GLU A  74      10.780  -4.302  -7.149  1.00  0.00           C
ATOM   1119  CD  GLU A  74      11.053  -5.294  -8.282  1.00  0.00           C
ATOM   1120  OE1 GLU A  74      10.368  -5.171  -9.320  1.00  0.00           O
ATOM   1121  OE2 GLU A  74      11.940  -6.152  -8.083  1.00  0.00           O
ATOM      0  H   GLU A  74       9.245  -3.063  -5.606  1.00  0.00           H   new
ATOM      0  HA  GLU A  74      11.671  -1.855  -6.196  1.00  0.00           H   new
ATOM      0  HB2 GLU A  74       9.596  -2.827  -8.186  1.00  0.00           H   new
ATOM      0  HB3 GLU A  74      11.320  -2.673  -8.455  1.00  0.00           H   new
ATOM      0  HG2 GLU A  74      11.617  -4.303  -6.450  1.00  0.00           H   new
ATOM      0  HG3 GLU A  74       9.898  -4.616  -6.591  1.00  0.00           H   new
ATOM   1128  N   GLN A  75       9.088  -0.260  -7.497  1.00  0.00           N
ATOM   1129  CA  GLN A  75       8.652   1.023  -8.022  1.00  0.00           C
ATOM   1130  C   GLN A  75       9.129   2.158  -7.114  1.00  0.00           C
ATOM   1131  O   GLN A  75       9.854   3.048  -7.556  1.00  0.00           O
ATOM   1132  CB  GLN A  75       7.132   1.058  -8.191  1.00  0.00           C
ATOM   1133  CG  GLN A  75       6.687   2.345  -8.888  1.00  0.00           C
ATOM   1134  CD  GLN A  75       5.357   2.142  -9.618  1.00  0.00           C
ATOM   1135  OE1 GLN A  75       4.915   1.031  -9.858  1.00  0.00           O
ATOM   1136  NE2 GLN A  75       4.747   3.275  -9.956  1.00  0.00           N
ATOM      0  H   GLN A  75       8.361  -0.975  -7.459  1.00  0.00           H   new
ATOM      0  HA  GLN A  75       9.097   1.161  -9.007  1.00  0.00           H   new
ATOM      0  HB2 GLN A  75       6.807   0.195  -8.772  1.00  0.00           H   new
ATOM      0  HB3 GLN A  75       6.652   0.984  -7.215  1.00  0.00           H   new
ATOM      0  HG2 GLN A  75       6.584   3.144  -8.153  1.00  0.00           H   new
ATOM      0  HG3 GLN A  75       7.451   2.661  -9.598  1.00  0.00           H   new
ATOM      0 HE21 GLN A  75       5.173   4.172  -9.724  1.00  0.00           H   new
ATOM      0 HE22 GLN A  75       3.853   3.246 -10.447  1.00  0.00           H   new