USER  MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=25
USER  MOD reduce.3.24.130724 removed 617 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  44 SER OG  :   rot  103:sc=       1
USER  MOD Set 1.2: A  74 SER OG  :   rot  -38:sc=   0.439
USER  MOD Set 1.3: A  82 HIS     :FLIP no HD1:sc=   0.608  F(o=0.82,f=3.7)
USER  MOD Set 1.4: A  84 THR OG1 :   rot  108:sc=     1.6
USER  MOD Set 2.1: A  39 LYS NZ  :NH3+    170:sc=   0.537   (180deg=-0.317)
USER  MOD Set 2.2: A  42 THR OG1 :   rot -111:sc=    1.29
USER  MOD Single : A  25 MET CE  :methyl  165:sc= -0.0804   (180deg=-0.35)
USER  MOD Single : A  26 LYS NZ  :NH3+   -175:sc=       0   (180deg=-0.0537)
USER  MOD Single : A  27 LYS NZ  :NH3+   -154:sc=   0.433   (180deg=0.231)
USER  MOD Single : A  28 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  32 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  35 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  37 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  38 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  45 THR OG1 :   rot   96:sc=   -0.78
USER  MOD Single : A  46 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  49 MET CE  :methyl -113:sc=  -0.911   (180deg=-1.76)
USER  MOD Single : A  50 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  60 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  61 LYS NZ  :NH3+   -157:sc=   0.453   (180deg=-0.229)
USER  MOD Single : A  65 LYS NZ  :NH3+    179:sc=       0   (180deg=-0.00243)
USER  MOD Single : A  73 THR OG1 :   rot  180:sc= 0.00644
USER  MOD Single : A  76 GLN     :      amide:sc= -0.0422  X(o=-0.042,f=0)
USER  MOD Single : A  77 THR OG1 :   rot  180:sc=  0.0267
USER  MOD Single : A  79 ASN     :      amide:sc=       0  X(o=0,f=-0.2)
USER  MOD Single : A  80 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  88 TYR OH  :   rot  180:sc=       0
USER  MOD Single : A  89 LYS NZ  :NH3+    150:sc=    1.42   (180deg=0.31)
USER  MOD Single : A  90 LYS NZ  :NH3+   -128:sc=  0.0511   (180deg=-0.14)
USER  MOD Single : A  91 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  94 HIS     :     no HD1:sc=  -0.179  K(o=-0.18,f=-0.92)
USER  MOD Single : A  95 HIS     :     no HD1:sc=       0  X(o=0,f=0)
USER  MOD Single : A  96 HIS     :     no HD1:sc=  -0.119  X(o=-0.12,f=-0.55)
USER  MOD Single : A  97 HIS     :     no HE2:sc=-0.00545  X(o=-0.0054,f=-0.47)
USER  MOD Single : A  98 HIS     :     no HD1:sc=       0  X(o=0,f=-0.00024)
USER  MOD Single : A  99 HIS     :     no HD1:sc=       0  X(o=0,f=-0.0022)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   ALA A  22       0.813   2.910   8.208  1.00 41.01           N
ATOM      2  CA  ALA A  22       0.242   2.568   6.891  1.00 31.32           C
ATOM      3  C   ALA A  22      -1.142   1.918   7.062  1.00 44.31           C
ATOM      4  O   ALA A  22      -1.442   1.364   8.123  1.00 71.12           O
ATOM      5  CB  ALA A  22       1.199   1.661   6.106  1.00 44.30           C
ATOM      0  HA  ALA A  22       0.112   3.484   6.315  1.00 31.32           H   new
ATOM      0  HB1 ALA A  22       0.760   1.420   5.138  1.00 44.30           H   new
ATOM      0  HB2 ALA A  22       2.148   2.176   5.956  1.00 44.30           H   new
ATOM      0  HB3 ALA A  22       1.370   0.741   6.666  1.00 44.30           H   new
ATOM     13  N   GLU A  23      -1.977   1.995   6.005  1.00 42.14           N
ATOM     14  CA  GLU A  23      -3.326   1.379   5.976  1.00 74.13           C
ATOM     15  C   GLU A  23      -3.530   0.645   4.641  1.00 54.02           C
ATOM     16  O   GLU A  23      -2.868   0.961   3.659  1.00  4.03           O
ATOM     17  CB  GLU A  23      -4.429   2.461   6.171  1.00 64.31           C
ATOM     18  CG  GLU A  23      -4.563   3.477   5.010  1.00 41.33           C
ATOM     19  CD  GLU A  23      -5.694   4.505   5.230  1.00  1.23           C
ATOM     20  OE1 GLU A  23      -6.880   4.114   5.185  1.00 44.33           O
ATOM     21  OE2 GLU A  23      -5.409   5.696   5.479  1.00 54.10           O
ATOM      0  H   GLU A  23      -1.737   2.487   5.144  1.00 42.14           H   new
ATOM      0  HA  GLU A  23      -3.403   0.664   6.795  1.00 74.13           H   new
ATOM      0  HB2 GLU A  23      -5.387   1.960   6.308  1.00 64.31           H   new
ATOM      0  HB3 GLU A  23      -4.221   3.008   7.090  1.00 64.31           H   new
ATOM      0  HG2 GLU A  23      -3.618   4.006   4.888  1.00 41.33           H   new
ATOM      0  HG3 GLU A  23      -4.748   2.936   4.082  1.00 41.33           H   new
ATOM     28  N   ILE A  24      -4.446  -0.330   4.614  1.00 34.13           N
ATOM     29  CA  ILE A  24      -4.777  -1.092   3.395  1.00 62.34           C
ATOM     30  C   ILE A  24      -5.900  -0.388   2.609  1.00  5.14           C
ATOM     31  O   ILE A  24      -6.915   0.014   3.191  1.00 75.31           O
ATOM     32  CB  ILE A  24      -5.204  -2.568   3.754  1.00 11.53           C
ATOM     33  CG1 ILE A  24      -4.008  -3.355   4.370  1.00 23.51           C
ATOM     34  CG2 ILE A  24      -5.777  -3.317   2.528  1.00 42.23           C
ATOM     35  CD1 ILE A  24      -2.804  -3.512   3.448  1.00 65.12           C
ATOM      0  H   ILE A  24      -4.981  -0.616   5.434  1.00 34.13           H   new
ATOM      0  HA  ILE A  24      -3.885  -1.136   2.769  1.00 62.34           H   new
ATOM      0  HB  ILE A  24      -5.998  -2.504   4.498  1.00 11.53           H   new
ATOM      0 HG12 ILE A  24      -3.687  -2.848   5.280  1.00 23.51           H   new
ATOM      0 HG13 ILE A  24      -4.355  -4.346   4.663  1.00 23.51           H   new
ATOM      0 HG21 ILE A  24      -6.058  -4.329   2.819  1.00 42.23           H   new
ATOM      0 HG22 ILE A  24      -6.655  -2.789   2.157  1.00 42.23           H   new
ATOM      0 HG23 ILE A  24      -5.022  -3.362   1.743  1.00 42.23           H   new
ATOM      0 HD11 ILE A  24      -2.023  -4.072   3.962  1.00 65.12           H   new
ATOM      0 HD12 ILE A  24      -3.103  -4.049   2.548  1.00 65.12           H   new
ATOM      0 HD13 ILE A  24      -2.424  -2.528   3.174  1.00 65.12           H   new
ATOM     47  N   MET A  25      -5.685  -0.233   1.288  1.00 62.33           N
ATOM     48  CA  MET A  25      -6.683   0.292   0.336  1.00 55.35           C
ATOM     49  C   MET A  25      -6.619  -0.505  -0.983  1.00 54.41           C
ATOM     50  O   MET A  25      -5.611  -1.165  -1.286  1.00 51.03           O
ATOM     51  CB  MET A  25      -6.465   1.813   0.055  1.00 72.21           C
ATOM     52  CG  MET A  25      -6.750   2.747   1.250  1.00 25.01           C
ATOM     53  SD  MET A  25      -6.522   4.497   0.853  1.00 65.45           S
ATOM     54  CE  MET A  25      -7.821   4.782  -0.352  1.00 24.12           C
ATOM      0  H   MET A  25      -4.798  -0.473   0.845  1.00 62.33           H   new
ATOM      0  HA  MET A  25      -7.669   0.175   0.785  1.00 55.35           H   new
ATOM      0  HB2 MET A  25      -5.434   1.963  -0.266  1.00 72.21           H   new
ATOM      0  HB3 MET A  25      -7.104   2.108  -0.777  1.00 72.21           H   new
ATOM      0  HG2 MET A  25      -7.773   2.588   1.592  1.00 25.01           H   new
ATOM      0  HG3 MET A  25      -6.093   2.480   2.077  1.00 25.01           H   new
ATOM      0  HE1 MET A  25      -7.969   5.854  -0.480  1.00 24.12           H   new
ATOM      0  HE2 MET A  25      -7.536   4.338  -1.306  1.00 24.12           H   new
ATOM      0  HE3 MET A  25      -8.748   4.327  -0.003  1.00 24.12           H   new
ATOM     64  N   LYS A  26      -7.722  -0.433  -1.746  1.00 50.33           N
ATOM     65  CA  LYS A  26      -7.852  -1.069  -3.072  1.00 14.53           C
ATOM     66  C   LYS A  26      -7.562  -0.024  -4.157  1.00 23.44           C
ATOM     67  O   LYS A  26      -7.912   1.141  -3.979  1.00 64.23           O
ATOM     68  CB  LYS A  26      -9.288  -1.634  -3.245  1.00 42.34           C
ATOM     69  CG  LYS A  26      -9.733  -2.564  -2.101  1.00 22.12           C
ATOM     70  CD  LYS A  26     -11.173  -3.091  -2.261  1.00 42.14           C
ATOM     71  CE  LYS A  26     -11.635  -3.900  -1.034  1.00 45.21           C
ATOM     72  NZ  LYS A  26     -10.755  -5.069  -0.768  1.00 51.10           N
ATOM      0  H   LYS A  26      -8.559   0.074  -1.458  1.00 50.33           H   new
ATOM      0  HA  LYS A  26      -7.141  -1.890  -3.159  1.00 14.53           H   new
ATOM      0  HB2 LYS A  26      -9.989  -0.803  -3.318  1.00 42.34           H   new
ATOM      0  HB3 LYS A  26      -9.342  -2.180  -4.187  1.00 42.34           H   new
ATOM      0  HG2 LYS A  26      -9.049  -3.411  -2.045  1.00 22.12           H   new
ATOM      0  HG3 LYS A  26      -9.654  -2.027  -1.156  1.00 22.12           H   new
ATOM      0  HD2 LYS A  26     -11.850  -2.251  -2.417  1.00 42.14           H   new
ATOM      0  HD3 LYS A  26     -11.232  -3.718  -3.151  1.00 42.14           H   new
ATOM      0  HE2 LYS A  26     -11.650  -3.252  -0.158  1.00 45.21           H   new
ATOM      0  HE3 LYS A  26     -12.657  -4.245  -1.192  1.00 45.21           H   new
ATOM      0  HZ1 LYS A  26     -11.151  -5.631   0.012  1.00 51.10           H   new
ATOM      0  HZ2 LYS A  26     -10.693  -5.658  -1.623  1.00 51.10           H   new
ATOM      0  HZ3 LYS A  26      -9.805  -4.736  -0.508  1.00 51.10           H   new
ATOM     86  N   LYS A  27      -6.958  -0.460  -5.281  1.00 53.13           N
ATOM     87  CA  LYS A  27      -6.544   0.441  -6.390  1.00  3.43           C
ATOM     88  C   LYS A  27      -7.762   1.213  -6.968  1.00 11.04           C
ATOM     89  O   LYS A  27      -7.667   2.408  -7.248  1.00 73.24           O
ATOM     90  CB  LYS A  27      -5.814  -0.387  -7.513  1.00 22.20           C
ATOM     91  CG  LYS A  27      -4.650   0.333  -8.265  1.00  5.33           C
ATOM     92  CD  LYS A  27      -5.076   1.536  -9.147  1.00 12.22           C
ATOM     93  CE  LYS A  27      -6.010   1.139 -10.306  1.00 53.24           C
ATOM     94  NZ  LYS A  27      -6.315   2.283 -11.194  1.00 33.23           N
ATOM      0  H   LYS A  27      -6.741  -1.442  -5.451  1.00 53.13           H   new
ATOM      0  HA  LYS A  27      -5.847   1.180  -5.994  1.00  3.43           H   new
ATOM      0  HB2 LYS A  27      -5.418  -1.297  -7.063  1.00 22.20           H   new
ATOM      0  HB3 LYS A  27      -6.558  -0.693  -8.249  1.00 22.20           H   new
ATOM      0  HG2 LYS A  27      -3.925   0.681  -7.530  1.00  5.33           H   new
ATOM      0  HG3 LYS A  27      -4.140  -0.396  -8.895  1.00  5.33           H   new
ATOM      0  HD2 LYS A  27      -5.577   2.276  -8.523  1.00 12.22           H   new
ATOM      0  HD3 LYS A  27      -4.185   2.013  -9.554  1.00 12.22           H   new
ATOM      0  HE2 LYS A  27      -5.546   0.343 -10.888  1.00 53.24           H   new
ATOM      0  HE3 LYS A  27      -6.939   0.738  -9.901  1.00 53.24           H   new
ATOM      0  HZ1 LYS A  27      -7.231   2.126 -11.661  1.00 33.23           H   new
ATOM      0  HZ2 LYS A  27      -6.358   3.157 -10.632  1.00 33.23           H   new
ATOM      0  HZ3 LYS A  27      -5.570   2.371 -11.914  1.00 33.23           H   new
ATOM    108  N   THR A  28      -8.898   0.507  -7.109  1.00 32.21           N
ATOM    109  CA  THR A  28     -10.140   1.059  -7.690  1.00 10.50           C
ATOM    110  C   THR A  28     -10.719   2.224  -6.844  1.00 73.42           C
ATOM    111  O   THR A  28     -11.144   3.249  -7.389  1.00 23.10           O
ATOM    112  CB  THR A  28     -11.209  -0.079  -7.884  1.00 23.03           C
ATOM    113  OG1 THR A  28     -12.417   0.462  -8.438  1.00 52.40           O
ATOM    114  CG2 THR A  28     -11.520  -0.840  -6.570  1.00 51.11           C
ATOM      0  H   THR A  28      -8.983  -0.468  -6.822  1.00 32.21           H   new
ATOM      0  HA  THR A  28      -9.886   1.473  -8.666  1.00 10.50           H   new
ATOM      0  HB  THR A  28     -10.779  -0.801  -8.577  1.00 23.03           H   new
ATOM      0  HG1 THR A  28     -13.073  -0.256  -8.555  1.00 52.40           H   new
ATOM      0 HG21 THR A  28     -12.264  -1.613  -6.764  1.00 51.11           H   new
ATOM      0 HG22 THR A  28     -10.608  -1.301  -6.192  1.00 51.11           H   new
ATOM      0 HG23 THR A  28     -11.908  -0.142  -5.828  1.00 51.11           H   new
ATOM    122  N   ASP A  29     -10.695   2.065  -5.508  1.00 35.11           N
ATOM    123  CA  ASP A  29     -11.177   3.090  -4.556  1.00  4.45           C
ATOM    124  C   ASP A  29     -10.175   4.252  -4.499  1.00 75.21           C
ATOM    125  O   ASP A  29     -10.543   5.426  -4.605  1.00 74.51           O
ATOM    126  CB  ASP A  29     -11.351   2.458  -3.147  1.00 74.15           C
ATOM    127  CG  ASP A  29     -11.766   3.472  -2.055  1.00 11.32           C
ATOM    128  OD1 ASP A  29     -12.926   3.927  -2.062  1.00  1.44           O
ATOM    129  OD2 ASP A  29     -10.936   3.806  -1.181  1.00 50.24           O
ATOM      0  H   ASP A  29     -10.341   1.222  -5.055  1.00 35.11           H   new
ATOM      0  HA  ASP A  29     -12.142   3.472  -4.890  1.00  4.45           H   new
ATOM      0  HB2 ASP A  29     -12.102   1.670  -3.203  1.00 74.15           H   new
ATOM      0  HB3 ASP A  29     -10.414   1.985  -2.853  1.00 74.15           H   new
ATOM    134  N   PHE A  30      -8.903   3.863  -4.381  1.00 45.51           N
ATOM    135  CA  PHE A  30      -7.762   4.770  -4.210  1.00 32.15           C
ATOM    136  C   PHE A  30      -7.576   5.728  -5.405  1.00  0.32           C
ATOM    137  O   PHE A  30      -7.208   6.895  -5.215  1.00 22.30           O
ATOM    138  CB  PHE A  30      -6.484   3.914  -4.004  1.00 60.44           C
ATOM    139  CG  PHE A  30      -5.209   4.715  -3.868  1.00 65.42           C
ATOM    140  CD1 PHE A  30      -4.850   5.269  -2.647  1.00 11.31           C
ATOM    141  CD2 PHE A  30      -4.373   4.921  -4.964  1.00 21.32           C
ATOM    142  CE1 PHE A  30      -3.702   5.998  -2.526  1.00 52.21           C
ATOM    143  CE2 PHE A  30      -3.227   5.655  -4.838  1.00  0.23           C
ATOM    144  CZ  PHE A  30      -2.893   6.190  -3.617  1.00 21.21           C
ATOM      0  H   PHE A  30      -8.629   2.881  -4.402  1.00 45.51           H   new
ATOM      0  HA  PHE A  30      -7.953   5.399  -3.341  1.00 32.15           H   new
ATOM      0  HB2 PHE A  30      -6.611   3.303  -3.111  1.00 60.44           H   new
ATOM      0  HB3 PHE A  30      -6.380   3.230  -4.846  1.00 60.44           H   new
ATOM      0  HD1 PHE A  30      -5.484   5.122  -1.785  1.00 11.31           H   new
ATOM      0  HD2 PHE A  30      -4.633   4.496  -5.922  1.00 21.32           H   new
ATOM      0  HE1 PHE A  30      -3.431   6.424  -1.571  1.00 52.21           H   new
ATOM      0  HE2 PHE A  30      -2.587   5.814  -5.694  1.00  0.23           H   new
ATOM      0  HZ  PHE A  30      -1.986   6.767  -3.516  1.00 21.21           H   new
ATOM    154  N   ASP A  31      -7.830   5.208  -6.623  1.00 22.42           N
ATOM    155  CA  ASP A  31      -7.579   5.920  -7.905  1.00 41.43           C
ATOM    156  C   ASP A  31      -8.194   7.336  -7.907  1.00 43.30           C
ATOM    157  O   ASP A  31      -7.539   8.314  -8.297  1.00 30.21           O
ATOM    158  CB  ASP A  31      -8.163   5.085  -9.079  1.00 55.35           C
ATOM    159  CG  ASP A  31      -7.764   5.599 -10.482  1.00  3.33           C
ATOM    160  OD1 ASP A  31      -8.472   6.468 -11.039  1.00 51.22           O
ATOM    161  OD2 ASP A  31      -6.753   5.118 -11.044  1.00 11.30           O
ATOM      0  H   ASP A  31      -8.219   4.274  -6.752  1.00 22.42           H   new
ATOM      0  HA  ASP A  31      -6.502   6.033  -8.025  1.00 41.43           H   new
ATOM      0  HB2 ASP A  31      -7.832   4.052  -8.975  1.00 55.35           H   new
ATOM      0  HB3 ASP A  31      -9.250   5.081  -9.002  1.00 55.35           H   new
ATOM    166  N   LYS A  32      -9.431   7.418  -7.392  1.00 11.14           N
ATOM    167  CA  LYS A  32     -10.219   8.668  -7.321  1.00 13.03           C
ATOM    168  C   LYS A  32      -9.471   9.788  -6.562  1.00 51.25           C
ATOM    169  O   LYS A  32      -9.572  10.968  -6.919  1.00 45.04           O
ATOM    170  CB  LYS A  32     -11.562   8.395  -6.606  1.00 55.14           C
ATOM    171  CG  LYS A  32     -12.370   7.203  -7.165  1.00 65.12           C
ATOM    172  CD  LYS A  32     -13.643   6.938  -6.337  1.00 23.50           C
ATOM    173  CE  LYS A  32     -14.425   5.695  -6.793  1.00 15.12           C
ATOM    174  NZ  LYS A  32     -15.625   5.492  -5.951  1.00 63.11           N
ATOM      0  H   LYS A  32      -9.922   6.611  -7.007  1.00 11.14           H   new
ATOM      0  HA  LYS A  32     -10.386   9.004  -8.344  1.00 13.03           H   new
ATOM      0  HB2 LYS A  32     -11.364   8.216  -5.549  1.00 55.14           H   new
ATOM      0  HB3 LYS A  32     -12.178   9.292  -6.667  1.00 55.14           H   new
ATOM      0  HG2 LYS A  32     -12.645   7.403  -8.201  1.00 65.12           H   new
ATOM      0  HG3 LYS A  32     -11.745   6.310  -7.168  1.00 65.12           H   new
ATOM      0  HD2 LYS A  32     -13.367   6.819  -5.289  1.00 23.50           H   new
ATOM      0  HD3 LYS A  32     -14.294   7.810  -6.398  1.00 23.50           H   new
ATOM      0  HE2 LYS A  32     -14.722   5.809  -7.836  1.00 15.12           H   new
ATOM      0  HE3 LYS A  32     -13.783   4.816  -6.738  1.00 15.12           H   new
ATOM      0  HZ1 LYS A  32     -16.138   4.648  -6.276  1.00 63.11           H   new
ATOM      0  HZ2 LYS A  32     -15.336   5.362  -4.960  1.00 63.11           H   new
ATOM      0  HZ3 LYS A  32     -16.245   6.324  -6.024  1.00 63.11           H   new
ATOM    188  N   VAL A  33      -8.710   9.398  -5.515  1.00 53.14           N
ATOM    189  CA  VAL A  33      -7.988  10.340  -4.637  1.00 23.13           C
ATOM    190  C   VAL A  33      -6.463  10.221  -4.834  1.00 45.20           C
ATOM    191  O   VAL A  33      -5.702  10.744  -4.016  1.00 21.25           O
ATOM    192  CB  VAL A  33      -8.369  10.104  -3.116  1.00 24.25           C
ATOM    193  CG1 VAL A  33      -9.853  10.468  -2.841  1.00  2.12           C
ATOM    194  CG2 VAL A  33      -8.074   8.640  -2.685  1.00 71.40           C
ATOM      0  H   VAL A  33      -8.580   8.420  -5.257  1.00 53.14           H   new
ATOM      0  HA  VAL A  33      -8.291  11.350  -4.914  1.00 23.13           H   new
ATOM      0  HB  VAL A  33      -7.745  10.767  -2.517  1.00 24.25           H   new
ATOM      0 HG11 VAL A  33     -10.081  10.295  -1.789  1.00  2.12           H   new
ATOM      0 HG12 VAL A  33     -10.020  11.518  -3.080  1.00  2.12           H   new
ATOM      0 HG13 VAL A  33     -10.501   9.847  -3.460  1.00  2.12           H   new
ATOM      0 HG21 VAL A  33      -8.345   8.507  -1.638  1.00 71.40           H   new
ATOM      0 HG22 VAL A  33      -8.657   7.955  -3.300  1.00 71.40           H   new
ATOM      0 HG23 VAL A  33      -7.012   8.429  -2.815  1.00 71.40           H   new
ATOM    204  N   ALA A  34      -6.023   9.588  -5.952  1.00 65.13           N
ATOM    205  CA  ALA A  34      -4.578   9.349  -6.213  1.00 45.03           C
ATOM    206  C   ALA A  34      -3.756  10.662  -6.273  1.00  3.51           C
ATOM    207  O   ALA A  34      -2.562  10.660  -5.963  1.00 70.34           O
ATOM    208  CB  ALA A  34      -4.400   8.550  -7.508  1.00  3.11           C
ATOM      0  H   ALA A  34      -6.642   9.236  -6.682  1.00 65.13           H   new
ATOM      0  HA  ALA A  34      -4.193   8.772  -5.372  1.00 45.03           H   new
ATOM      0  HB1 ALA A  34      -3.338   8.381  -7.688  1.00  3.11           H   new
ATOM      0  HB2 ALA A  34      -4.909   7.591  -7.417  1.00  3.11           H   new
ATOM      0  HB3 ALA A  34      -4.825   9.109  -8.342  1.00  3.11           H   new
ATOM    214  N   SER A  35      -4.418  11.777  -6.649  1.00  3.13           N
ATOM    215  CA  SER A  35      -3.788  13.119  -6.706  1.00 22.15           C
ATOM    216  C   SER A  35      -3.317  13.601  -5.318  1.00 74.14           C
ATOM    217  O   SER A  35      -2.350  14.365  -5.213  1.00 55.23           O
ATOM    218  CB  SER A  35      -4.764  14.140  -7.321  1.00 52.32           C
ATOM    219  OG  SER A  35      -5.155  13.730  -8.619  1.00  1.54           O
ATOM      0  H   SER A  35      -5.401  11.775  -6.921  1.00  3.13           H   new
ATOM      0  HA  SER A  35      -2.904  13.036  -7.338  1.00 22.15           H   new
ATOM      0  HB2 SER A  35      -5.643  14.241  -6.685  1.00 52.32           H   new
ATOM      0  HB3 SER A  35      -4.291  15.121  -7.370  1.00 52.32           H   new
ATOM      0  HG  SER A  35      -5.776  14.387  -8.996  1.00  1.54           H   new
ATOM    225  N   GLU A  36      -3.998  13.118  -4.267  1.00 15.15           N
ATOM    226  CA  GLU A  36      -3.664  13.423  -2.864  1.00 65.22           C
ATOM    227  C   GLU A  36      -2.513  12.538  -2.346  1.00 60.03           C
ATOM    228  O   GLU A  36      -2.161  12.629  -1.171  1.00 10.51           O
ATOM    229  CB  GLU A  36      -4.927  13.231  -1.974  1.00 44.10           C
ATOM    230  CG  GLU A  36      -5.997  14.324  -2.128  1.00  0.45           C
ATOM    231  CD  GLU A  36      -5.505  15.698  -1.630  1.00 64.30           C
ATOM    232  OE1 GLU A  36      -5.439  15.893  -0.396  1.00 44.21           O
ATOM    233  OE2 GLU A  36      -5.175  16.574  -2.461  1.00  4.31           O
ATOM      0  H   GLU A  36      -4.803  12.499  -4.366  1.00 15.15           H   new
ATOM      0  HA  GLU A  36      -3.330  14.459  -2.813  1.00 65.22           H   new
ATOM      0  HB2 GLU A  36      -5.377  12.266  -2.209  1.00 44.10           H   new
ATOM      0  HB3 GLU A  36      -4.616  13.191  -0.930  1.00 44.10           H   new
ATOM      0  HG2 GLU A  36      -6.286  14.402  -3.176  1.00  0.45           H   new
ATOM      0  HG3 GLU A  36      -6.890  14.037  -1.572  1.00  0.45           H   new
ATOM    240  N   TYR A  37      -1.948  11.657  -3.210  1.00 33.51           N
ATOM    241  CA  TYR A  37      -0.899  10.701  -2.806  1.00 72.41           C
ATOM    242  C   TYR A  37       0.240  10.669  -3.831  1.00 51.12           C
ATOM    243  O   TYR A  37       0.065  11.041  -5.000  1.00 14.40           O
ATOM    244  CB  TYR A  37      -1.510   9.291  -2.603  1.00 33.04           C
ATOM    245  CG  TYR A  37      -2.586   9.267  -1.508  1.00 72.44           C
ATOM    246  CD1 TYR A  37      -2.238   9.195  -0.163  1.00 24.41           C
ATOM    247  CD2 TYR A  37      -3.947   9.377  -1.818  1.00 64.03           C
ATOM    248  CE1 TYR A  37      -3.193   9.234   0.826  1.00 34.44           C
ATOM    249  CE2 TYR A  37      -4.903   9.406  -0.829  1.00 30.21           C
ATOM    250  CZ  TYR A  37      -4.519   9.335   0.492  1.00 73.32           C
ATOM    251  OH  TYR A  37      -5.467   9.380   1.482  1.00 64.35           O
ATOM      0  H   TYR A  37      -2.207  11.593  -4.195  1.00 33.51           H   new
ATOM      0  HA  TYR A  37      -0.476  11.031  -1.857  1.00 72.41           H   new
ATOM      0  HB2 TYR A  37      -1.945   8.949  -3.542  1.00 33.04           H   new
ATOM      0  HB3 TYR A  37      -0.717   8.589  -2.344  1.00 33.04           H   new
ATOM      0  HD1 TYR A  37      -1.197   9.107   0.110  1.00 24.41           H   new
ATOM      0  HD2 TYR A  37      -4.252   9.440  -2.852  1.00 64.03           H   new
ATOM      0  HE1 TYR A  37      -2.899   9.185   1.864  1.00 34.44           H   new
ATOM      0  HE2 TYR A  37      -5.949   9.484  -1.087  1.00 30.21           H   new
ATOM      0  HH  TYR A  37      -6.357   9.453   1.079  1.00 64.35           H   new
ATOM    261  N   THR A  38       1.410  10.226  -3.358  1.00 33.44           N
ATOM    262  CA  THR A  38       2.643  10.175  -4.134  1.00 31.21           C
ATOM    263  C   THR A  38       3.290   8.793  -3.932  1.00 41.13           C
ATOM    264  O   THR A  38       3.545   8.375  -2.797  1.00 52.52           O
ATOM    265  CB  THR A  38       3.607  11.349  -3.718  1.00 64.15           C
ATOM    266  OG1 THR A  38       4.773  11.353  -4.555  1.00 72.22           O
ATOM    267  CG2 THR A  38       4.031  11.308  -2.235  1.00 72.32           C
ATOM      0  H   THR A  38       1.523   9.886  -2.403  1.00 33.44           H   new
ATOM      0  HA  THR A  38       2.430  10.309  -5.194  1.00 31.21           H   new
ATOM      0  HB  THR A  38       3.039  12.269  -3.854  1.00 64.15           H   new
ATOM      0  HG1 THR A  38       5.364  12.088  -4.289  1.00 72.22           H   new
ATOM      0 HG21 THR A  38       4.694  12.147  -2.023  1.00 72.32           H   new
ATOM      0 HG22 THR A  38       3.146  11.375  -1.602  1.00 72.32           H   new
ATOM      0 HG23 THR A  38       4.553  10.373  -2.031  1.00 72.32           H   new
ATOM    275  N   LYS A  39       3.489   8.053  -5.037  1.00 41.14           N
ATOM    276  CA  LYS A  39       4.037   6.689  -4.993  1.00 31.02           C
ATOM    277  C   LYS A  39       5.530   6.735  -4.656  1.00 63.01           C
ATOM    278  O   LYS A  39       6.334   7.263  -5.439  1.00  4.51           O
ATOM    279  CB  LYS A  39       3.805   5.978  -6.342  1.00 52.30           C
ATOM    280  CG  LYS A  39       4.129   4.470  -6.336  1.00 15.00           C
ATOM    281  CD  LYS A  39       3.815   3.799  -7.691  1.00  2.44           C
ATOM    282  CE  LYS A  39       4.244   2.330  -7.731  1.00 20.01           C
ATOM    283  NZ  LYS A  39       5.699   2.174  -7.488  1.00 21.53           N
ATOM      0  H   LYS A  39       3.276   8.382  -5.979  1.00 41.14           H   new
ATOM      0  HA  LYS A  39       3.523   6.124  -4.215  1.00 31.02           H   new
ATOM      0  HB2 LYS A  39       2.763   6.111  -6.634  1.00 52.30           H   new
ATOM      0  HB3 LYS A  39       4.414   6.464  -7.104  1.00 52.30           H   new
ATOM      0  HG2 LYS A  39       5.183   4.328  -6.098  1.00 15.00           H   new
ATOM      0  HG3 LYS A  39       3.556   3.980  -5.549  1.00 15.00           H   new
ATOM      0  HD2 LYS A  39       2.745   3.867  -7.887  1.00  2.44           H   new
ATOM      0  HD3 LYS A  39       4.321   4.344  -8.488  1.00  2.44           H   new
ATOM      0  HE2 LYS A  39       3.688   1.768  -6.980  1.00 20.01           H   new
ATOM      0  HE3 LYS A  39       3.990   1.903  -8.701  1.00 20.01           H   new
ATOM      0  HZ1 LYS A  39       5.923   1.167  -7.354  1.00 21.53           H   new
ATOM      0  HZ2 LYS A  39       6.229   2.541  -8.304  1.00 21.53           H   new
ATOM      0  HZ3 LYS A  39       5.967   2.704  -6.635  1.00 21.53           H   new
ATOM    297  N   ILE A  40       5.888   6.181  -3.489  1.00  0.14           N
ATOM    298  CA  ILE A  40       7.272   6.203  -2.993  1.00 54.55           C
ATOM    299  C   ILE A  40       7.998   4.886  -3.305  1.00 32.11           C
ATOM    300  O   ILE A  40       9.224   4.801  -3.162  1.00  5.52           O
ATOM    301  CB  ILE A  40       7.337   6.505  -1.452  1.00 51.40           C
ATOM    302  CG1 ILE A  40       6.611   5.403  -0.612  1.00 23.33           C
ATOM    303  CG2 ILE A  40       6.751   7.910  -1.154  1.00 72.24           C
ATOM    304  CD1 ILE A  40       6.876   5.472   0.882  1.00  4.14           C
ATOM      0  H   ILE A  40       5.233   5.709  -2.866  1.00  0.14           H   new
ATOM      0  HA  ILE A  40       7.780   7.013  -3.517  1.00 54.55           H   new
ATOM      0  HB  ILE A  40       8.385   6.494  -1.154  1.00 51.40           H   new
ATOM      0 HG12 ILE A  40       5.537   5.483  -0.782  1.00 23.33           H   new
ATOM      0 HG13 ILE A  40       6.919   4.424  -0.978  1.00 23.33           H   new
ATOM      0 HG21 ILE A  40       6.802   8.106  -0.083  1.00 72.24           H   new
ATOM      0 HG22 ILE A  40       7.327   8.665  -1.689  1.00 72.24           H   new
ATOM      0 HG23 ILE A  40       5.712   7.947  -1.480  1.00 72.24           H   new
ATOM      0 HD11 ILE A  40       6.333   4.672   1.385  1.00  4.14           H   new
ATOM      0 HD12 ILE A  40       7.944   5.359   1.068  1.00  4.14           H   new
ATOM      0 HD13 ILE A  40       6.541   6.435   1.267  1.00  4.14           H   new
ATOM    316  N   GLY A  41       7.233   3.861  -3.718  1.00 72.51           N
ATOM    317  CA  GLY A  41       7.792   2.552  -4.036  1.00 61.31           C
ATOM    318  C   GLY A  41       6.728   1.490  -4.229  1.00 43.21           C
ATOM    319  O   GLY A  41       5.524   1.791  -4.258  1.00 71.14           O
ATOM      0  H   GLY A  41       6.222   3.923  -3.837  1.00 72.51           H   new
ATOM      0  HA2 GLY A  41       8.391   2.629  -4.943  1.00 61.31           H   new
ATOM      0  HA3 GLY A  41       8.464   2.245  -3.235  1.00 61.31           H   new
ATOM    323  N   THR A  42       7.189   0.251  -4.417  1.00 33.04           N
ATOM    324  CA  THR A  42       6.345  -0.951  -4.423  1.00 54.14           C
ATOM    325  C   THR A  42       7.041  -2.028  -3.572  1.00  1.24           C
ATOM    326  O   THR A  42       8.251  -2.242  -3.720  1.00  0.04           O
ATOM    327  CB  THR A  42       6.108  -1.488  -5.878  1.00  3.40           C
ATOM    328  OG1 THR A  42       5.528  -0.457  -6.678  1.00 52.30           O
ATOM    329  CG2 THR A  42       5.182  -2.725  -5.904  1.00 33.44           C
ATOM      0  H   THR A  42       8.177   0.049  -4.572  1.00 33.04           H   new
ATOM      0  HA  THR A  42       5.368  -0.701  -4.010  1.00 54.14           H   new
ATOM      0  HB  THR A  42       7.078  -1.787  -6.276  1.00  3.40           H   new
ATOM      0  HG1 THR A  42       4.602  -0.693  -6.895  1.00 52.30           H   new
ATOM      0 HG21 THR A  42       5.049  -3.058  -6.933  1.00 33.44           H   new
ATOM      0 HG22 THR A  42       5.630  -3.527  -5.318  1.00 33.44           H   new
ATOM      0 HG23 THR A  42       4.213  -2.463  -5.480  1.00 33.44           H   new
ATOM    337  N   ILE A  43       6.280  -2.685  -2.678  1.00 21.51           N
ATOM    338  CA  ILE A  43       6.788  -3.785  -1.831  1.00 21.44           C
ATOM    339  C   ILE A  43       6.080  -5.093  -2.201  1.00 12.31           C
ATOM    340  O   ILE A  43       5.058  -5.080  -2.904  1.00 32.32           O
ATOM    341  CB  ILE A  43       6.599  -3.487  -0.295  1.00 13.52           C
ATOM    342  CG1 ILE A  43       5.092  -3.245   0.030  1.00 11.33           C
ATOM    343  CG2 ILE A  43       7.480  -2.289   0.150  1.00 44.34           C
ATOM    344  CD1 ILE A  43       4.793  -2.977   1.485  1.00 74.03           C
ATOM      0  H   ILE A  43       5.295  -2.470  -2.521  1.00 21.51           H   new
ATOM      0  HA  ILE A  43       7.858  -3.877  -2.016  1.00 21.44           H   new
ATOM      0  HB  ILE A  43       6.928  -4.358   0.271  1.00 13.52           H   new
ATOM      0 HG12 ILE A  43       4.739  -2.400  -0.561  1.00 11.33           H   new
ATOM      0 HG13 ILE A  43       4.521  -4.117  -0.289  1.00 11.33           H   new
ATOM      0 HG21 ILE A  43       7.331  -2.104   1.214  1.00 44.34           H   new
ATOM      0 HG22 ILE A  43       8.529  -2.520  -0.035  1.00 44.34           H   new
ATOM      0 HG23 ILE A  43       7.199  -1.401  -0.416  1.00 44.34           H   new
ATOM      0 HD11 ILE A  43       3.722  -2.821   1.614  1.00 74.03           H   new
ATOM      0 HD12 ILE A  43       5.110  -3.830   2.085  1.00 74.03           H   new
ATOM      0 HD13 ILE A  43       5.331  -2.086   1.809  1.00 74.03           H   new
ATOM    356  N   SER A  44       6.630  -6.214  -1.717  1.00 72.34           N
ATOM    357  CA  SER A  44       6.089  -7.552  -1.981  1.00 13.40           C
ATOM    358  C   SER A  44       6.525  -8.528  -0.888  1.00 73.32           C
ATOM    359  O   SER A  44       7.499  -8.276  -0.168  1.00 23.22           O
ATOM    360  CB  SER A  44       6.554  -8.060  -3.370  1.00 61.31           C
ATOM    361  OG  SER A  44       5.955  -9.305  -3.717  1.00 32.13           O
ATOM      0  H   SER A  44       7.464  -6.218  -1.130  1.00 72.34           H   new
ATOM      0  HA  SER A  44       5.001  -7.490  -1.980  1.00 13.40           H   new
ATOM      0  HB2 SER A  44       6.307  -7.317  -4.128  1.00 61.31           H   new
ATOM      0  HB3 SER A  44       7.639  -8.168  -3.371  1.00 61.31           H   new
ATOM      0  HG  SER A  44       5.234  -9.152  -4.363  1.00 32.13           H   new
ATOM    367  N   THR A  45       5.789  -9.636  -0.775  1.00 14.42           N
ATOM    368  CA  THR A  45       6.147 -10.765   0.084  1.00  5.13           C
ATOM    369  C   THR A  45       6.843 -11.863  -0.760  1.00 74.53           C
ATOM    370  O   THR A  45       6.722 -11.878  -1.998  1.00 14.45           O
ATOM    371  CB  THR A  45       4.872 -11.350   0.771  1.00 73.14           C
ATOM    372  OG1 THR A  45       3.987 -11.887  -0.221  1.00 63.52           O
ATOM    373  CG2 THR A  45       4.110 -10.292   1.600  1.00 74.33           C
ATOM      0  H   THR A  45       4.916  -9.775  -1.285  1.00 14.42           H   new
ATOM      0  HA  THR A  45       6.831 -10.417   0.858  1.00  5.13           H   new
ATOM      0  HB  THR A  45       5.208 -12.133   1.451  1.00 73.14           H   new
ATOM      0  HG1 THR A  45       4.141 -12.851  -0.310  1.00 63.52           H   new
ATOM      0 HG21 THR A  45       3.233 -10.750   2.056  1.00 74.33           H   new
ATOM      0 HG22 THR A  45       4.763  -9.902   2.381  1.00 74.33           H   new
ATOM      0 HG23 THR A  45       3.796  -9.476   0.949  1.00 74.33           H   new
ATOM    381  N   THR A  46       7.597 -12.746  -0.089  1.00 41.22           N
ATOM    382  CA  THR A  46       8.184 -13.942  -0.709  1.00 70.21           C
ATOM    383  C   THR A  46       7.172 -15.093  -0.591  1.00 72.20           C
ATOM    384  O   THR A  46       7.004 -15.677   0.489  1.00 65.43           O
ATOM    385  CB  THR A  46       9.541 -14.328  -0.029  1.00 72.53           C
ATOM    386  OG1 THR A  46      10.439 -13.214  -0.099  1.00 40.23           O
ATOM    387  CG2 THR A  46      10.205 -15.558  -0.684  1.00 63.11           C
ATOM      0  H   THR A  46       7.817 -12.650   0.902  1.00 41.22           H   new
ATOM      0  HA  THR A  46       8.399 -13.738  -1.758  1.00 70.21           H   new
ATOM      0  HB  THR A  46       9.323 -14.587   1.007  1.00 72.53           H   new
ATOM      0  HG1 THR A  46      11.289 -13.452   0.327  1.00 40.23           H   new
ATOM      0 HG21 THR A  46      11.142 -15.781  -0.173  1.00 63.11           H   new
ATOM      0 HG22 THR A  46       9.537 -16.416  -0.608  1.00 63.11           H   new
ATOM      0 HG23 THR A  46      10.406 -15.347  -1.734  1.00 63.11           H   new
ATOM    395  N   GLY A  47       6.461 -15.363  -1.696  1.00 63.40           N
ATOM    396  CA  GLY A  47       5.435 -16.404  -1.729  1.00 24.03           C
ATOM    397  C   GLY A  47       4.078 -15.905  -1.251  1.00 22.10           C
ATOM    398  O   GLY A  47       3.914 -14.722  -0.927  1.00 63.53           O
ATOM      0  H   GLY A  47       6.582 -14.869  -2.580  1.00 63.40           H   new
ATOM      0  HA2 GLY A  47       5.341 -16.784  -2.746  1.00 24.03           H   new
ATOM      0  HA3 GLY A  47       5.751 -17.240  -1.105  1.00 24.03           H   new
ATOM    402  N   GLU A  48       3.107 -16.825  -1.210  1.00  4.23           N
ATOM    403  CA  GLU A  48       1.712 -16.525  -0.848  1.00 71.15           C
ATOM    404  C   GLU A  48       1.418 -16.977   0.590  1.00 24.10           C
ATOM    405  O   GLU A  48       1.757 -18.102   0.978  1.00 64.31           O
ATOM    406  CB  GLU A  48       0.770 -17.255  -1.830  1.00 53.13           C
ATOM    407  CG  GLU A  48       0.975 -16.853  -3.298  1.00  1.23           C
ATOM    408  CD  GLU A  48       0.227 -17.754  -4.290  1.00 12.31           C
ATOM    409  OE1 GLU A  48      -0.944 -17.467  -4.616  1.00 51.41           O
ATOM    410  OE2 GLU A  48       0.805 -18.766  -4.743  1.00 15.21           O
ATOM      0  H   GLU A  48       3.267 -17.808  -1.429  1.00  4.23           H   new
ATOM      0  HA  GLU A  48       1.550 -15.449  -0.908  1.00 71.15           H   new
ATOM      0  HB2 GLU A  48       0.921 -18.330  -1.733  1.00 53.13           H   new
ATOM      0  HB3 GLU A  48      -0.263 -17.051  -1.548  1.00 53.13           H   new
ATOM      0  HG2 GLU A  48       0.644 -15.823  -3.434  1.00  1.23           H   new
ATOM      0  HG3 GLU A  48       2.040 -16.879  -3.528  1.00  1.23           H   new
ATOM    417  N   MET A  49       0.801 -16.078   1.364  1.00 74.12           N
ATOM    418  CA  MET A  49       0.217 -16.371   2.685  1.00 14.02           C
ATOM    419  C   MET A  49      -1.287 -16.045   2.635  1.00 52.51           C
ATOM    420  O   MET A  49      -1.818 -15.662   1.578  1.00  4.31           O
ATOM    421  CB  MET A  49       0.933 -15.550   3.810  1.00 55.24           C
ATOM    422  CG  MET A  49       0.973 -14.024   3.583  1.00 61.23           C
ATOM    423  SD  MET A  49       2.082 -13.539   2.239  1.00 60.24           S
ATOM    424  CE  MET A  49       3.674 -14.020   2.913  1.00 13.12           C
ATOM      0  H   MET A  49       0.689 -15.103   1.087  1.00 74.12           H   new
ATOM      0  HA  MET A  49       0.356 -17.426   2.922  1.00 14.02           H   new
ATOM      0  HB2 MET A  49       0.432 -15.748   4.757  1.00 55.24           H   new
ATOM      0  HB3 MET A  49       1.956 -15.914   3.909  1.00 55.24           H   new
ATOM      0  HG2 MET A  49      -0.034 -13.668   3.363  1.00 61.23           H   new
ATOM      0  HG3 MET A  49       1.290 -13.533   4.503  1.00 61.23           H   new
ATOM      0  HE1 MET A  49       4.272 -13.129   3.104  1.00 13.12           H   new
ATOM      0  HE2 MET A  49       3.525 -14.564   3.846  1.00 13.12           H   new
ATOM      0  HE3 MET A  49       4.193 -14.660   2.199  1.00 13.12           H   new
ATOM    434  N   SER A  50      -1.965 -16.220   3.784  1.00 30.44           N
ATOM    435  CA  SER A  50      -3.369 -15.826   3.957  1.00 62.04           C
ATOM    436  C   SER A  50      -3.491 -14.295   3.794  1.00 14.01           C
ATOM    437  O   SER A  50      -2.623 -13.569   4.291  1.00 12.01           O
ATOM    438  CB  SER A  50      -3.866 -16.278   5.346  1.00 40.50           C
ATOM    439  OG  SER A  50      -3.668 -17.670   5.534  1.00 43.33           O
ATOM      0  H   SER A  50      -1.552 -16.639   4.617  1.00 30.44           H   new
ATOM      0  HA  SER A  50      -3.989 -16.307   3.200  1.00 62.04           H   new
ATOM      0  HB2 SER A  50      -3.337 -15.725   6.122  1.00 40.50           H   new
ATOM      0  HB3 SER A  50      -4.925 -16.041   5.451  1.00 40.50           H   new
ATOM      0  HG  SER A  50      -3.990 -17.929   6.423  1.00 43.33           H   new
ATOM    445  N   PRO A  51      -4.560 -13.775   3.105  1.00 22.54           N
ATOM    446  CA  PRO A  51      -4.614 -12.360   2.664  1.00 52.05           C
ATOM    447  C   PRO A  51      -4.596 -11.355   3.832  1.00 22.45           C
ATOM    448  O   PRO A  51      -4.169 -10.224   3.653  1.00 63.01           O
ATOM    449  CB  PRO A  51      -5.935 -12.275   1.859  1.00 43.25           C
ATOM    450  CG  PRO A  51      -6.772 -13.399   2.375  1.00 44.32           C
ATOM    451  CD  PRO A  51      -5.804 -14.503   2.740  1.00 64.34           C
ATOM      0  HA  PRO A  51      -3.735 -12.090   2.079  1.00 52.05           H   new
ATOM      0  HB2 PRO A  51      -6.428 -11.314   2.009  1.00 43.25           H   new
ATOM      0  HB3 PRO A  51      -5.753 -12.377   0.789  1.00 43.25           H   new
ATOM      0  HG2 PRO A  51      -7.353 -13.087   3.242  1.00 44.32           H   new
ATOM      0  HG3 PRO A  51      -7.482 -13.736   1.620  1.00 44.32           H   new
ATOM      0  HD2 PRO A  51      -6.175 -15.103   3.571  1.00 64.34           H   new
ATOM      0  HD3 PRO A  51      -5.639 -15.183   1.905  1.00 64.34           H   new
ATOM    459  N   LEU A  52      -5.053 -11.784   5.025  1.00 31.21           N
ATOM    460  CA  LEU A  52      -5.043 -10.938   6.241  1.00 71.11           C
ATOM    461  C   LEU A  52      -3.596 -10.752   6.730  1.00 12.41           C
ATOM    462  O   LEU A  52      -3.179  -9.633   7.024  1.00 21.24           O
ATOM    463  CB  LEU A  52      -5.930 -11.542   7.377  1.00  4.22           C
ATOM    464  CG  LEU A  52      -7.475 -11.610   7.126  1.00 40.44           C
ATOM    465  CD1 LEU A  52      -8.043 -10.236   6.724  1.00  3.11           C
ATOM    466  CD2 LEU A  52      -7.851 -12.705   6.103  1.00 42.13           C
ATOM      0  H   LEU A  52      -5.437 -12.717   5.175  1.00 31.21           H   new
ATOM      0  HA  LEU A  52      -5.467  -9.968   5.981  1.00 71.11           H   new
ATOM      0  HB2 LEU A  52      -5.577 -12.553   7.579  1.00  4.22           H   new
ATOM      0  HB3 LEU A  52      -5.761 -10.959   8.282  1.00  4.22           H   new
ATOM      0  HG  LEU A  52      -7.939 -11.891   8.072  1.00 40.44           H   new
ATOM      0 HD11 LEU A  52      -9.117 -10.321   6.558  1.00  3.11           H   new
ATOM      0 HD12 LEU A  52      -7.855  -9.517   7.521  1.00  3.11           H   new
ATOM      0 HD13 LEU A  52      -7.560  -9.896   5.808  1.00  3.11           H   new
ATOM      0 HD21 LEU A  52      -8.932 -12.715   5.961  1.00 42.13           H   new
ATOM      0 HD22 LEU A  52      -7.362 -12.497   5.151  1.00 42.13           H   new
ATOM      0 HD23 LEU A  52      -7.525 -13.677   6.474  1.00 42.13           H   new
ATOM    478  N   ASP A  53      -2.832 -11.860   6.752  1.00 31.52           N
ATOM    479  CA  ASP A  53      -1.403 -11.862   7.147  1.00 63.51           C
ATOM    480  C   ASP A  53      -0.557 -11.070   6.127  1.00 44.41           C
ATOM    481  O   ASP A  53       0.399 -10.377   6.501  1.00  2.21           O
ATOM    482  CB  ASP A  53      -0.899 -13.324   7.254  1.00 52.02           C
ATOM    483  CG  ASP A  53       0.537 -13.445   7.797  1.00 11.25           C
ATOM    484  OD1 ASP A  53       0.715 -13.557   9.032  1.00 33.53           O
ATOM    485  OD2 ASP A  53       1.499 -13.451   6.993  1.00 15.23           O
ATOM      0  H   ASP A  53      -3.185 -12.782   6.497  1.00 31.52           H   new
ATOM      0  HA  ASP A  53      -1.300 -11.377   8.118  1.00 63.51           H   new
ATOM      0  HB2 ASP A  53      -1.572 -13.884   7.903  1.00 52.02           H   new
ATOM      0  HB3 ASP A  53      -0.946 -13.788   6.269  1.00 52.02           H   new
ATOM    490  N   ALA A  54      -0.943 -11.194   4.839  1.00 74.33           N
ATOM    491  CA  ALA A  54      -0.334 -10.448   3.721  1.00  3.42           C
ATOM    492  C   ALA A  54      -0.533  -8.938   3.921  1.00 64.12           C
ATOM    493  O   ALA A  54       0.420  -8.171   3.814  1.00 34.44           O
ATOM    494  CB  ALA A  54      -0.923 -10.925   2.371  1.00  3.24           C
ATOM      0  H   ALA A  54      -1.693 -11.820   4.545  1.00 74.33           H   new
ATOM      0  HA  ALA A  54       0.738 -10.645   3.703  1.00  3.42           H   new
ATOM      0  HB1 ALA A  54      -0.464 -10.366   1.556  1.00  3.24           H   new
ATOM      0  HB2 ALA A  54      -0.720 -11.988   2.241  1.00  3.24           H   new
ATOM      0  HB3 ALA A  54      -2.000 -10.758   2.365  1.00  3.24           H   new
ATOM    500  N   ARG A  55      -1.775  -8.549   4.294  1.00  3.34           N
ATOM    501  CA  ARG A  55      -2.130  -7.150   4.608  1.00  5.31           C
ATOM    502  C   ARG A  55      -1.234  -6.593   5.706  1.00 64.52           C
ATOM    503  O   ARG A  55      -0.606  -5.576   5.508  1.00 64.21           O
ATOM    504  CB  ARG A  55      -3.612  -7.034   5.051  1.00 54.11           C
ATOM    505  CG  ARG A  55      -4.618  -7.192   3.908  1.00 22.34           C
ATOM    506  CD  ARG A  55      -6.072  -7.148   4.387  1.00 44.31           C
ATOM    507  NE  ARG A  55      -7.009  -7.296   3.259  1.00 50.13           N
ATOM    508  CZ  ARG A  55      -7.574  -8.445   2.869  1.00 51.43           C
ATOM    509  NH1 ARG A  55      -7.315  -9.582   3.502  1.00  2.55           N
ATOM    510  NH2 ARG A  55      -8.382  -8.463   1.825  1.00  1.34           N
ATOM      0  H   ARG A  55      -2.557  -9.198   4.385  1.00  3.34           H   new
ATOM      0  HA  ARG A  55      -1.985  -6.569   3.697  1.00  5.31           H   new
ATOM      0  HB2 ARG A  55      -3.815  -7.792   5.807  1.00 54.11           H   new
ATOM      0  HB3 ARG A  55      -3.764  -6.064   5.524  1.00 54.11           H   new
ATOM      0  HG2 ARG A  55      -4.457  -6.400   3.176  1.00 22.34           H   new
ATOM      0  HG3 ARG A  55      -4.437  -8.138   3.399  1.00 22.34           H   new
ATOM      0  HD2 ARG A  55      -6.243  -7.944   5.112  1.00 44.31           H   new
ATOM      0  HD3 ARG A  55      -6.261  -6.204   4.899  1.00 44.31           H   new
ATOM      0  HE  ARG A  55      -7.246  -6.455   2.733  1.00 50.13           H   new
ATOM      0 HH11 ARG A  55      -6.677  -9.589   4.298  1.00  2.55           H   new
ATOM      0 HH12 ARG A  55      -7.754 -10.449   3.193  1.00  2.55           H   new
ATOM      0 HH21 ARG A  55      -8.576  -7.601   1.315  1.00  1.34           H   new
ATOM      0 HH22 ARG A  55      -8.812  -9.339   1.528  1.00  1.34           H   new
ATOM    524  N   GLU A  56      -1.152  -7.326   6.830  1.00 40.02           N
ATOM    525  CA  GLU A  56      -0.397  -6.909   8.030  1.00 50.24           C
ATOM    526  C   GLU A  56       1.101  -6.741   7.728  1.00 34.45           C
ATOM    527  O   GLU A  56       1.725  -5.773   8.191  1.00 22.42           O
ATOM    528  CB  GLU A  56      -0.615  -7.942   9.161  1.00 52.23           C
ATOM    529  CG  GLU A  56      -2.085  -8.082   9.603  1.00 21.35           C
ATOM    530  CD  GLU A  56      -2.318  -9.215  10.618  1.00  3.13           C
ATOM    531  OE1 GLU A  56      -2.539 -10.370  10.200  1.00 42.21           O
ATOM    532  OE2 GLU A  56      -2.280  -8.951  11.841  1.00 41.42           O
ATOM      0  H   GLU A  56      -1.610  -8.231   6.934  1.00 40.02           H   new
ATOM      0  HA  GLU A  56      -0.770  -5.937   8.351  1.00 50.24           H   new
ATOM      0  HB2 GLU A  56      -0.252  -8.914   8.827  1.00 52.23           H   new
ATOM      0  HB3 GLU A  56      -0.012  -7.655  10.023  1.00 52.23           H   new
ATOM      0  HG2 GLU A  56      -2.415  -7.140  10.041  1.00 21.35           H   new
ATOM      0  HG3 GLU A  56      -2.705  -8.260   8.724  1.00 21.35           H   new
ATOM    539  N   ASP A  57       1.658  -7.667   6.924  1.00 42.53           N
ATOM    540  CA  ASP A  57       3.067  -7.607   6.524  1.00 70.52           C
ATOM    541  C   ASP A  57       3.325  -6.375   5.642  1.00 70.52           C
ATOM    542  O   ASP A  57       4.284  -5.646   5.860  1.00 72.00           O
ATOM    543  CB  ASP A  57       3.481  -8.886   5.768  1.00 35.32           C
ATOM    544  CG  ASP A  57       4.996  -8.941   5.503  1.00 60.51           C
ATOM    545  OD1 ASP A  57       5.763  -9.189   6.459  1.00 43.45           O
ATOM    546  OD2 ASP A  57       5.437  -8.745   4.351  1.00 74.35           O
ATOM      0  H   ASP A  57       1.149  -8.464   6.541  1.00 42.53           H   new
ATOM      0  HA  ASP A  57       3.668  -7.528   7.430  1.00 70.52           H   new
ATOM      0  HB2 ASP A  57       3.183  -9.760   6.347  1.00 35.32           H   new
ATOM      0  HB3 ASP A  57       2.946  -8.934   4.819  1.00 35.32           H   new
ATOM    551  N   LEU A  58       2.430  -6.146   4.668  1.00 61.24           N
ATOM    552  CA  LEU A  58       2.556  -5.027   3.716  1.00 15.30           C
ATOM    553  C   LEU A  58       2.302  -3.658   4.403  1.00 30.33           C
ATOM    554  O   LEU A  58       2.927  -2.667   4.034  1.00 71.35           O
ATOM    555  CB  LEU A  58       1.633  -5.269   2.491  1.00 10.23           C
ATOM    556  CG  LEU A  58       1.984  -6.548   1.644  1.00 42.43           C
ATOM    557  CD1 LEU A  58       0.930  -6.828   0.558  1.00 61.24           C
ATOM    558  CD2 LEU A  58       3.402  -6.467   1.026  1.00 53.15           C
ATOM      0  H   LEU A  58       1.604  -6.725   4.517  1.00 61.24           H   new
ATOM      0  HA  LEU A  58       3.583  -4.987   3.352  1.00 15.30           H   new
ATOM      0  HB2 LEU A  58       0.604  -5.353   2.840  1.00 10.23           H   new
ATOM      0  HB3 LEU A  58       1.679  -4.396   1.841  1.00 10.23           H   new
ATOM      0  HG  LEU A  58       1.975  -7.387   2.340  1.00 42.43           H   new
ATOM      0 HD11 LEU A  58       1.213  -7.719  -0.002  1.00 61.24           H   new
ATOM      0 HD12 LEU A  58      -0.042  -6.986   1.026  1.00 61.24           H   new
ATOM      0 HD13 LEU A  58       0.871  -5.977  -0.120  1.00 61.24           H   new
ATOM      0 HD21 LEU A  58       3.600  -7.371   0.450  1.00 53.15           H   new
ATOM      0 HD22 LEU A  58       3.464  -5.599   0.370  1.00 53.15           H   new
ATOM      0 HD23 LEU A  58       4.141  -6.374   1.822  1.00 53.15           H   new
ATOM    570  N   ILE A  59       1.426  -3.631   5.434  1.00 71.14           N
ATOM    571  CA  ILE A  59       1.238  -2.450   6.322  1.00 52.23           C
ATOM    572  C   ILE A  59       2.557  -2.128   7.036  1.00 34.32           C
ATOM    573  O   ILE A  59       3.030  -0.991   6.994  1.00 71.20           O
ATOM    574  CB  ILE A  59       0.108  -2.687   7.411  1.00 30.34           C
ATOM    575  CG1 ILE A  59      -1.296  -2.819   6.755  1.00 11.34           C
ATOM    576  CG2 ILE A  59       0.094  -1.568   8.489  1.00 71.55           C
ATOM    577  CD1 ILE A  59      -2.398  -3.306   7.695  1.00 75.33           C
ATOM      0  H   ILE A  59       0.830  -4.422   5.677  1.00 71.14           H   new
ATOM      0  HA  ILE A  59       0.927  -1.618   5.691  1.00 52.23           H   new
ATOM      0  HB  ILE A  59       0.347  -3.627   7.907  1.00 30.34           H   new
ATOM      0 HG12 ILE A  59      -1.585  -1.849   6.350  1.00 11.34           H   new
ATOM      0 HG13 ILE A  59      -1.225  -3.508   5.913  1.00 11.34           H   new
ATOM      0 HG21 ILE A  59      -0.695  -1.771   9.214  1.00 71.55           H   new
ATOM      0 HG22 ILE A  59       1.057  -1.542   8.999  1.00 71.55           H   new
ATOM      0 HG23 ILE A  59      -0.090  -0.605   8.012  1.00 71.55           H   new
ATOM      0 HD11 ILE A  59      -3.340  -3.367   7.150  1.00 75.33           H   new
ATOM      0 HD12 ILE A  59      -2.138  -4.291   8.081  1.00 75.33           H   new
ATOM      0 HD13 ILE A  59      -2.503  -2.607   8.525  1.00 75.33           H   new
ATOM    589  N   LYS A  60       3.138  -3.167   7.660  1.00 62.55           N
ATOM    590  CA  LYS A  60       4.381  -3.060   8.444  1.00 55.41           C
ATOM    591  C   LYS A  60       5.540  -2.514   7.582  1.00 13.42           C
ATOM    592  O   LYS A  60       6.111  -1.469   7.903  1.00  2.02           O
ATOM    593  CB  LYS A  60       4.722  -4.453   9.032  1.00 61.11           C
ATOM    594  CG  LYS A  60       5.984  -4.515   9.921  1.00 43.10           C
ATOM    595  CD  LYS A  60       6.180  -5.904  10.576  1.00 71.34           C
ATOM    596  CE  LYS A  60       6.299  -7.044   9.546  1.00 11.44           C
ATOM    597  NZ  LYS A  60       6.422  -8.368  10.194  1.00 34.55           N
ATOM      0  H   LYS A  60       2.755  -4.112   7.634  1.00 62.55           H   new
ATOM      0  HA  LYS A  60       4.235  -2.351   9.259  1.00 55.41           H   new
ATOM      0  HB2 LYS A  60       3.870  -4.798   9.618  1.00 61.11           H   new
ATOM      0  HB3 LYS A  60       4.846  -5.155   8.207  1.00 61.11           H   new
ATOM      0  HG2 LYS A  60       6.860  -4.274   9.320  1.00 43.10           H   new
ATOM      0  HG3 LYS A  60       5.913  -3.756  10.700  1.00 43.10           H   new
ATOM      0  HD2 LYS A  60       7.078  -5.885  11.194  1.00 71.34           H   new
ATOM      0  HD3 LYS A  60       5.340  -6.108  11.240  1.00 71.34           H   new
ATOM      0  HE2 LYS A  60       5.423  -7.038   8.897  1.00 11.44           H   new
ATOM      0  HE3 LYS A  60       7.168  -6.869   8.911  1.00 11.44           H   new
ATOM      0  HZ1 LYS A  60       6.500  -9.106   9.465  1.00 34.55           H   new
ATOM      0  HZ2 LYS A  60       7.272  -8.383  10.794  1.00 34.55           H   new
ATOM      0  HZ3 LYS A  60       5.582  -8.547  10.780  1.00 34.55           H   new
ATOM    611  N   LYS A  61       5.811  -3.208   6.460  1.00 74.03           N
ATOM    612  CA  LYS A  61       6.884  -2.853   5.507  1.00 30.43           C
ATOM    613  C   LYS A  61       6.690  -1.427   4.977  1.00 51.13           C
ATOM    614  O   LYS A  61       7.591  -0.597   5.100  1.00 74.02           O
ATOM    615  CB  LYS A  61       6.958  -3.902   4.339  1.00 72.14           C
ATOM    616  CG  LYS A  61       7.833  -5.158   4.630  1.00  3.51           C
ATOM    617  CD  LYS A  61       7.439  -5.916   5.924  1.00 23.42           C
ATOM    618  CE  LYS A  61       8.355  -7.116   6.222  1.00 74.13           C
ATOM    619  NZ  LYS A  61       8.288  -8.159   5.168  1.00 43.21           N
ATOM      0  H   LYS A  61       5.287  -4.039   6.186  1.00 74.03           H   new
ATOM      0  HA  LYS A  61       7.838  -2.879   6.033  1.00 30.43           H   new
ATOM      0  HB2 LYS A  61       5.946  -4.231   4.103  1.00 72.14           H   new
ATOM      0  HB3 LYS A  61       7.348  -3.406   3.450  1.00 72.14           H   new
ATOM      0  HG2 LYS A  61       7.761  -5.842   3.784  1.00  3.51           H   new
ATOM      0  HG3 LYS A  61       8.876  -4.852   4.704  1.00  3.51           H   new
ATOM      0  HD2 LYS A  61       7.469  -5.225   6.766  1.00 23.42           H   new
ATOM      0  HD3 LYS A  61       6.410  -6.265   5.835  1.00 23.42           H   new
ATOM      0  HE2 LYS A  61       9.383  -6.768   6.319  1.00 74.13           H   new
ATOM      0  HE3 LYS A  61       8.074  -7.554   7.180  1.00 74.13           H   new
ATOM      0  HZ1 LYS A  61       8.585  -9.073   5.565  1.00 43.21           H   new
ATOM      0  HZ2 LYS A  61       7.312  -8.235   4.816  1.00 43.21           H   new
ATOM      0  HZ3 LYS A  61       8.920  -7.901   4.383  1.00 43.21           H   new
ATOM    633  N   ALA A  62       5.478  -1.131   4.477  1.00  2.42           N
ATOM    634  CA  ALA A  62       5.143   0.203   3.940  1.00 71.12           C
ATOM    635  C   ALA A  62       5.407   1.311   4.969  1.00 24.40           C
ATOM    636  O   ALA A  62       6.035   2.317   4.651  1.00 42.41           O
ATOM    637  CB  ALA A  62       3.685   0.252   3.502  1.00 75.31           C
ATOM      0  H   ALA A  62       4.709  -1.800   4.433  1.00  2.42           H   new
ATOM      0  HA  ALA A  62       5.788   0.376   3.078  1.00 71.12           H   new
ATOM      0  HB1 ALA A  62       3.456   1.243   3.109  1.00 75.31           H   new
ATOM      0  HB2 ALA A  62       3.513  -0.495   2.727  1.00 75.31           H   new
ATOM      0  HB3 ALA A  62       3.041   0.043   4.356  1.00 75.31           H   new
ATOM    643  N   ASP A  63       4.961   1.074   6.214  1.00 20.42           N
ATOM    644  CA  ASP A  63       5.088   2.043   7.315  1.00 64.21           C
ATOM    645  C   ASP A  63       6.576   2.266   7.681  1.00 13.32           C
ATOM    646  O   ASP A  63       6.982   3.396   7.980  1.00 71.51           O
ATOM    647  CB  ASP A  63       4.272   1.560   8.543  1.00 72.11           C
ATOM    648  CG  ASP A  63       4.144   2.626   9.644  1.00 13.15           C
ATOM    649  OD1 ASP A  63       3.250   3.491   9.541  1.00 71.45           O
ATOM    650  OD2 ASP A  63       4.937   2.612  10.607  1.00 32.30           O
ATOM      0  H   ASP A  63       4.502   0.204   6.485  1.00 20.42           H   new
ATOM      0  HA  ASP A  63       4.683   3.001   6.990  1.00 64.21           H   new
ATOM      0  HB2 ASP A  63       3.275   1.264   8.215  1.00 72.11           H   new
ATOM      0  HB3 ASP A  63       4.747   0.672   8.960  1.00 72.11           H   new
ATOM    655  N   GLU A  64       7.386   1.189   7.594  1.00 52.14           N
ATOM    656  CA  GLU A  64       8.855   1.264   7.757  1.00 71.53           C
ATOM    657  C   GLU A  64       9.493   2.159   6.668  1.00 33.41           C
ATOM    658  O   GLU A  64      10.438   2.908   6.949  1.00 70.24           O
ATOM    659  CB  GLU A  64       9.481  -0.152   7.697  1.00 22.42           C
ATOM    660  CG  GLU A  64       9.119  -1.077   8.875  1.00  3.34           C
ATOM    661  CD  GLU A  64       9.634  -2.517   8.688  1.00 73.41           C
ATOM    662  OE1 GLU A  64      10.823  -2.771   8.963  1.00  3.42           O
ATOM    663  OE2 GLU A  64       8.862  -3.389   8.233  1.00 20.22           O
ATOM      0  H   GLU A  64       7.042   0.247   7.410  1.00 52.14           H   new
ATOM      0  HA  GLU A  64       9.057   1.706   8.733  1.00 71.53           H   new
ATOM      0  HB2 GLU A  64       9.168  -0.632   6.769  1.00 22.42           H   new
ATOM      0  HB3 GLU A  64      10.566  -0.051   7.654  1.00 22.42           H   new
ATOM      0  HG2 GLU A  64       9.534  -0.665   9.795  1.00  3.34           H   new
ATOM      0  HG3 GLU A  64       8.036  -1.097   8.995  1.00  3.34           H   new
ATOM    670  N   LYS A  65       8.979   2.057   5.420  1.00 43.05           N
ATOM    671  CA  LYS A  65       9.396   2.953   4.308  1.00 64.11           C
ATOM    672  C   LYS A  65       8.735   4.359   4.422  1.00 24.55           C
ATOM    673  O   LYS A  65       9.071   5.268   3.649  1.00 55.45           O
ATOM    674  CB  LYS A  65       9.104   2.323   2.902  1.00 13.41           C
ATOM    675  CG  LYS A  65      10.072   1.182   2.455  1.00 11.43           C
ATOM    676  CD  LYS A  65       9.866  -0.149   3.222  1.00 10.45           C
ATOM    677  CE  LYS A  65      10.838  -1.273   2.806  1.00  2.21           C
ATOM    678  NZ  LYS A  65      12.246  -0.961   3.164  1.00 74.33           N
ATOM      0  H   LYS A  65       8.277   1.366   5.155  1.00 43.05           H   new
ATOM      0  HA  LYS A  65      10.475   3.076   4.400  1.00 64.11           H   new
ATOM      0  HB2 LYS A  65       8.087   1.931   2.905  1.00 13.41           H   new
ATOM      0  HB3 LYS A  65       9.138   3.116   2.155  1.00 13.41           H   new
ATOM      0  HG2 LYS A  65       9.937   1.001   1.389  1.00 11.43           H   new
ATOM      0  HG3 LYS A  65      11.100   1.515   2.594  1.00 11.43           H   new
ATOM      0  HD2 LYS A  65       9.980   0.038   4.290  1.00 10.45           H   new
ATOM      0  HD3 LYS A  65       8.843  -0.492   3.065  1.00 10.45           H   new
ATOM      0  HE2 LYS A  65      10.541  -2.204   3.288  1.00  2.21           H   new
ATOM      0  HE3 LYS A  65      10.766  -1.433   1.730  1.00  2.21           H   new
ATOM      0  HZ1 LYS A  65      12.860  -1.751   2.881  1.00 74.33           H   new
ATOM      0  HZ2 LYS A  65      12.546  -0.096   2.671  1.00 74.33           H   new
ATOM      0  HZ3 LYS A  65      12.319  -0.817   4.191  1.00 74.33           H   new
ATOM    692  N   GLY A  66       7.794   4.528   5.394  1.00  4.31           N
ATOM    693  CA  GLY A  66       7.157   5.831   5.674  1.00 32.02           C
ATOM    694  C   GLY A  66       5.808   6.041   4.985  1.00 14.01           C
ATOM    695  O   GLY A  66       5.184   7.097   5.157  1.00 61.13           O
ATOM      0  H   GLY A  66       7.465   3.771   5.993  1.00  4.31           H   new
ATOM      0  HA2 GLY A  66       7.019   5.929   6.751  1.00 32.02           H   new
ATOM      0  HA3 GLY A  66       7.836   6.626   5.365  1.00 32.02           H   new
ATOM    699  N   ALA A  67       5.354   5.033   4.220  1.00 21.05           N
ATOM    700  CA  ALA A  67       4.093   5.096   3.454  1.00 42.01           C
ATOM    701  C   ALA A  67       2.860   5.187   4.362  1.00  1.13           C
ATOM    702  O   ALA A  67       2.794   4.546   5.421  1.00 42.30           O
ATOM    703  CB  ALA A  67       3.977   3.887   2.525  1.00 32.42           C
ATOM      0  H   ALA A  67       5.851   4.149   4.114  1.00 21.05           H   new
ATOM      0  HA  ALA A  67       4.123   6.010   2.860  1.00 42.01           H   new
ATOM      0  HB1 ALA A  67       3.043   3.946   1.966  1.00 32.42           H   new
ATOM      0  HB2 ALA A  67       4.816   3.881   1.829  1.00 32.42           H   new
ATOM      0  HB3 ALA A  67       3.989   2.971   3.116  1.00 32.42           H   new
ATOM    709  N   ASP A  68       1.887   5.983   3.906  1.00 33.22           N
ATOM    710  CA  ASP A  68       0.613   6.193   4.597  1.00 52.21           C
ATOM    711  C   ASP A  68      -0.428   5.176   4.111  1.00 62.11           C
ATOM    712  O   ASP A  68      -1.253   4.694   4.895  1.00 74.13           O
ATOM    713  CB  ASP A  68       0.114   7.635   4.350  1.00 44.15           C
ATOM    714  CG  ASP A  68       1.059   8.699   4.937  1.00 34.33           C
ATOM    715  OD1 ASP A  68       1.996   9.135   4.234  1.00 55.12           O
ATOM    716  OD2 ASP A  68       0.873   9.109   6.102  1.00 63.24           O
ATOM      0  H   ASP A  68       1.965   6.506   3.034  1.00 33.22           H   new
ATOM      0  HA  ASP A  68       0.761   6.050   5.667  1.00 52.21           H   new
ATOM      0  HB2 ASP A  68       0.009   7.800   3.278  1.00 44.15           H   new
ATOM      0  HB3 ASP A  68      -0.877   7.753   4.789  1.00 44.15           H   new
ATOM    721  N   VAL A  69      -0.386   4.858   2.802  1.00 55.03           N
ATOM    722  CA  VAL A  69      -1.341   3.934   2.161  1.00 72.12           C
ATOM    723  C   VAL A  69      -0.596   2.778   1.466  1.00  4.23           C
ATOM    724  O   VAL A  69       0.482   2.965   0.896  1.00  3.42           O
ATOM    725  CB  VAL A  69      -2.261   4.703   1.130  1.00 62.22           C
ATOM    726  CG1 VAL A  69      -3.191   3.742   0.338  1.00 41.24           C
ATOM    727  CG2 VAL A  69      -3.090   5.802   1.847  1.00 41.42           C
ATOM      0  H   VAL A  69       0.311   5.235   2.160  1.00 55.03           H   new
ATOM      0  HA  VAL A  69      -1.979   3.513   2.938  1.00 72.12           H   new
ATOM      0  HB  VAL A  69      -1.600   5.179   0.405  1.00 62.22           H   new
ATOM      0 HG11 VAL A  69      -3.803   4.318  -0.357  1.00 41.24           H   new
ATOM      0 HG12 VAL A  69      -2.586   3.027  -0.219  1.00 41.24           H   new
ATOM      0 HG13 VAL A  69      -3.838   3.207   1.033  1.00 41.24           H   new
ATOM      0 HG21 VAL A  69      -3.716   6.319   1.119  1.00 41.42           H   new
ATOM      0 HG22 VAL A  69      -3.721   5.343   2.608  1.00 41.42           H   new
ATOM      0 HG23 VAL A  69      -2.416   6.517   2.318  1.00 41.42           H   new
ATOM    737  N   VAL A  70      -1.215   1.588   1.534  1.00 22.15           N
ATOM    738  CA  VAL A  70      -0.738   0.348   0.909  1.00 65.42           C
ATOM    739  C   VAL A  70      -1.820  -0.095  -0.088  1.00 35.32           C
ATOM    740  O   VAL A  70      -2.893  -0.557   0.320  1.00 23.42           O
ATOM    741  CB  VAL A  70      -0.519  -0.804   1.970  1.00  0.32           C
ATOM    742  CG1 VAL A  70       0.228  -2.010   1.357  1.00 53.01           C
ATOM    743  CG2 VAL A  70       0.194  -0.290   3.233  1.00 13.33           C
ATOM      0  H   VAL A  70      -2.090   1.461   2.043  1.00 22.15           H   new
ATOM      0  HA  VAL A  70       0.222   0.534   0.427  1.00 65.42           H   new
ATOM      0  HB  VAL A  70      -1.508  -1.149   2.272  1.00  0.32           H   new
ATOM      0 HG11 VAL A  70       0.360  -2.781   2.116  1.00 53.01           H   new
ATOM      0 HG12 VAL A  70      -0.352  -2.414   0.527  1.00 53.01           H   new
ATOM      0 HG13 VAL A  70       1.204  -1.687   0.994  1.00 53.01           H   new
ATOM      0 HG21 VAL A  70       0.325  -1.112   3.937  1.00 13.33           H   new
ATOM      0 HG22 VAL A  70       1.169   0.114   2.961  1.00 13.33           H   new
ATOM      0 HG23 VAL A  70      -0.407   0.492   3.697  1.00 13.33           H   new
ATOM    753  N   VAL A  71      -1.538   0.060  -1.379  1.00 41.50           N
ATOM    754  CA  VAL A  71      -2.492  -0.242  -2.455  1.00  2.03           C
ATOM    755  C   VAL A  71      -2.328  -1.708  -2.877  1.00  0.24           C
ATOM    756  O   VAL A  71      -1.385  -2.044  -3.618  1.00  1.24           O
ATOM    757  CB  VAL A  71      -2.279   0.731  -3.676  1.00 42.02           C
ATOM    758  CG1 VAL A  71      -3.237   0.415  -4.845  1.00 35.13           C
ATOM    759  CG2 VAL A  71      -2.422   2.205  -3.225  1.00 14.24           C
ATOM      0  H   VAL A  71      -0.637   0.400  -1.715  1.00 41.50           H   new
ATOM      0  HA  VAL A  71      -3.509  -0.091  -2.093  1.00  2.03           H   new
ATOM      0  HB  VAL A  71      -1.265   0.576  -4.046  1.00 42.02           H   new
ATOM      0 HG11 VAL A  71      -3.054   1.111  -5.664  1.00 35.13           H   new
ATOM      0 HG12 VAL A  71      -3.066  -0.605  -5.190  1.00 35.13           H   new
ATOM      0 HG13 VAL A  71      -4.269   0.515  -4.507  1.00 35.13           H   new
ATOM      0 HG21 VAL A  71      -2.272   2.863  -4.081  1.00 14.24           H   new
ATOM      0 HG22 VAL A  71      -3.419   2.365  -2.815  1.00 14.24           H   new
ATOM      0 HG23 VAL A  71      -1.676   2.426  -2.462  1.00 14.24           H   new
ATOM    769  N   LEU A  72      -3.220  -2.585  -2.353  1.00 55.12           N
ATOM    770  CA  LEU A  72      -3.203  -4.020  -2.679  1.00 42.30           C
ATOM    771  C   LEU A  72      -3.595  -4.235  -4.139  1.00 22.52           C
ATOM    772  O   LEU A  72      -4.600  -3.690  -4.616  1.00 20.23           O
ATOM    773  CB  LEU A  72      -4.135  -4.860  -1.764  1.00 63.44           C
ATOM    774  CG  LEU A  72      -3.770  -4.915  -0.247  1.00 70.54           C
ATOM    775  CD1 LEU A  72      -4.620  -5.977   0.480  1.00 11.32           C
ATOM    776  CD2 LEU A  72      -2.262  -5.171  -0.015  1.00 54.30           C
ATOM      0  H   LEU A  72      -3.958  -2.316  -1.703  1.00 55.12           H   new
ATOM      0  HA  LEU A  72      -2.183  -4.365  -2.508  1.00 42.30           H   new
ATOM      0  HB2 LEU A  72      -5.147  -4.465  -1.856  1.00 63.44           H   new
ATOM      0  HB3 LEU A  72      -4.155  -5.881  -2.146  1.00 63.44           H   new
ATOM      0  HG  LEU A  72      -3.997  -3.935   0.172  1.00 70.54           H   new
ATOM      0 HD11 LEU A  72      -4.350  -5.999   1.536  1.00 11.32           H   new
ATOM      0 HD12 LEU A  72      -5.676  -5.728   0.381  1.00 11.32           H   new
ATOM      0 HD13 LEU A  72      -4.435  -6.956   0.038  1.00 11.32           H   new
ATOM      0 HD21 LEU A  72      -2.058  -5.201   1.055  1.00 54.30           H   new
ATOM      0 HD22 LEU A  72      -1.981  -6.124  -0.464  1.00 54.30           H   new
ATOM      0 HD23 LEU A  72      -1.682  -4.369  -0.473  1.00 54.30           H   new
ATOM    788  N   THR A  73      -2.789  -5.039  -4.836  1.00 63.51           N
ATOM    789  CA  THR A  73      -2.980  -5.351  -6.252  1.00 22.24           C
ATOM    790  C   THR A  73      -2.793  -6.859  -6.468  1.00 24.04           C
ATOM    791  O   THR A  73      -3.711  -7.557  -6.916  1.00 42.52           O
ATOM    792  CB  THR A  73      -1.975  -4.520  -7.121  1.00  4.31           C
ATOM    793  OG1 THR A  73      -0.657  -4.616  -6.548  1.00 42.51           O
ATOM    794  CG2 THR A  73      -2.382  -3.031  -7.223  1.00 12.21           C
ATOM      0  H   THR A  73      -1.975  -5.497  -4.426  1.00 63.51           H   new
ATOM      0  HA  THR A  73      -3.990  -5.081  -6.560  1.00 22.24           H   new
ATOM      0  HB  THR A  73      -1.987  -4.936  -8.129  1.00  4.31           H   new
ATOM      0  HG1 THR A  73      -0.026  -4.098  -7.090  1.00 42.51           H   new
ATOM      0 HG21 THR A  73      -1.655  -2.496  -7.835  1.00 12.21           H   new
ATOM      0 HG22 THR A  73      -3.368  -2.954  -7.680  1.00 12.21           H   new
ATOM      0 HG23 THR A  73      -2.409  -2.592  -6.226  1.00 12.21           H   new
ATOM    802  N   SER A  74      -1.604  -7.359  -6.086  1.00 31.22           N
ATOM    803  CA  SER A  74      -1.233  -8.775  -6.231  1.00 52.23           C
ATOM    804  C   SER A  74      -1.067  -9.424  -4.840  1.00 44.33           C
ATOM    805  O   SER A  74      -0.149 -10.215  -4.626  1.00 64.13           O
ATOM    806  CB  SER A  74       0.073  -8.866  -7.066  1.00 64.41           C
ATOM    807  OG  SER A  74       0.455 -10.213  -7.313  1.00 24.34           O
ATOM      0  H   SER A  74      -0.871  -6.788  -5.666  1.00 31.22           H   new
ATOM      0  HA  SER A  74      -2.019  -9.321  -6.752  1.00 52.23           H   new
ATOM      0  HB2 SER A  74      -0.067  -8.349  -8.015  1.00 64.41           H   new
ATOM      0  HB3 SER A  74       0.877  -8.352  -6.539  1.00 64.41           H   new
ATOM      0  HG  SER A  74       0.273 -10.756  -6.517  1.00 24.34           H   new
ATOM    813  N   GLY A  75      -1.991  -9.117  -3.910  1.00 55.20           N
ATOM    814  CA  GLY A  75      -1.940  -9.692  -2.557  1.00 73.35           C
ATOM    815  C   GLY A  75      -3.192  -9.417  -1.743  1.00 32.34           C
ATOM    816  O   GLY A  75      -3.140  -8.678  -0.756  1.00 32.03           O
ATOM      0  H   GLY A  75      -2.772  -8.481  -4.070  1.00 55.20           H   new
ATOM      0  HA2 GLY A  75      -1.793 -10.769  -2.632  1.00 73.35           H   new
ATOM      0  HA3 GLY A  75      -1.076  -9.288  -2.030  1.00 73.35           H   new
ATOM    820  N   GLN A  76      -4.327 -10.017  -2.155  1.00 65.12           N
ATOM    821  CA  GLN A  76      -5.623  -9.831  -1.459  1.00 21.14           C
ATOM    822  C   GLN A  76      -6.597 -10.993  -1.739  1.00 42.44           C
ATOM    823  O   GLN A  76      -7.366 -11.388  -0.861  1.00 30.34           O
ATOM    824  CB  GLN A  76      -6.259  -8.470  -1.876  1.00 41.03           C
ATOM    825  CG  GLN A  76      -6.577  -8.326  -3.380  1.00 53.31           C
ATOM    826  CD  GLN A  76      -7.157  -6.961  -3.745  1.00 75.32           C
ATOM    827  OE1 GLN A  76      -8.370  -6.748  -3.692  1.00 31.02           O
ATOM    828  NE2 GLN A  76      -6.298  -6.030  -4.121  1.00 40.34           N
ATOM      0  H   GLN A  76      -4.376 -10.635  -2.965  1.00 65.12           H   new
ATOM      0  HA  GLN A  76      -5.430  -9.824  -0.386  1.00 21.14           H   new
ATOM      0  HB2 GLN A  76      -7.181  -8.330  -1.311  1.00 41.03           H   new
ATOM      0  HB3 GLN A  76      -5.582  -7.667  -1.586  1.00 41.03           H   new
ATOM      0  HG2 GLN A  76      -5.666  -8.492  -3.955  1.00 53.31           H   new
ATOM      0  HG3 GLN A  76      -7.283  -9.103  -3.671  1.00 53.31           H   new
ATOM      0 HE21 GLN A  76      -5.300  -6.240  -4.154  1.00 40.34           H   new
ATOM      0 HE22 GLN A  76      -6.633  -5.101  -4.378  1.00 40.34           H   new
ATOM    837  N   THR A  77      -6.545 -11.531  -2.965  1.00 53.11           N
ATOM    838  CA  THR A  77      -7.502 -12.538  -3.454  1.00 10.44           C
ATOM    839  C   THR A  77      -7.240 -13.940  -2.854  1.00  0.00           C
ATOM    840  O   THR A  77      -8.190 -14.633  -2.465  1.00 32.41           O
ATOM    841  CB  THR A  77      -7.440 -12.595  -5.008  1.00 10.43           C
ATOM    842  OG1 THR A  77      -6.071 -12.702  -5.418  1.00 41.54           O
ATOM    843  CG2 THR A  77      -8.062 -11.352  -5.664  1.00 22.41           C
ATOM      0  H   THR A  77      -5.834 -11.279  -3.651  1.00 53.11           H   new
ATOM      0  HA  THR A  77      -8.499 -12.238  -3.131  1.00 10.44           H   new
ATOM      0  HB  THR A  77      -8.015 -13.463  -5.330  1.00 10.43           H   new
ATOM      0  HG1 THR A  77      -6.024 -12.740  -6.396  1.00 41.54           H   new
ATOM      0 HG21 THR A  77      -7.994 -11.440  -6.748  1.00 22.41           H   new
ATOM      0 HG22 THR A  77      -9.109 -11.272  -5.372  1.00 22.41           H   new
ATOM      0 HG23 THR A  77      -7.525 -10.461  -5.338  1.00 22.41           H   new
ATOM    851  N   GLU A  78      -5.944 -14.320  -2.786  1.00 74.40           N
ATOM    852  CA  GLU A  78      -5.482 -15.645  -2.313  1.00 65.45           C
ATOM    853  C   GLU A  78      -6.005 -16.776  -3.242  1.00 52.13           C
ATOM    854  O   GLU A  78      -7.073 -17.358  -3.006  1.00 44.42           O
ATOM    855  CB  GLU A  78      -5.876 -15.918  -0.831  1.00 33.14           C
ATOM    856  CG  GLU A  78      -5.318 -17.245  -0.254  1.00 24.42           C
ATOM    857  CD  GLU A  78      -6.109 -17.773   0.956  1.00 14.31           C
ATOM    858  OE1 GLU A  78      -7.295 -18.135   0.774  1.00 74.52           O
ATOM    859  OE2 GLU A  78      -5.558 -17.853   2.079  1.00 62.11           O
ATOM      0  H   GLU A  78      -5.178 -13.706  -3.062  1.00 74.40           H   new
ATOM      0  HA  GLU A  78      -4.393 -15.635  -2.354  1.00 65.45           H   new
ATOM      0  HB2 GLU A  78      -5.522 -15.091  -0.215  1.00 33.14           H   new
ATOM      0  HB3 GLU A  78      -6.963 -15.931  -0.753  1.00 33.14           H   new
ATOM      0  HG2 GLU A  78      -5.322 -18.002  -1.038  1.00 24.42           H   new
ATOM      0  HG3 GLU A  78      -4.279 -17.095   0.039  1.00 24.42           H   new
ATOM    866  N   ASN A  79      -5.272 -17.000  -4.337  1.00 45.20           N
ATOM    867  CA  ASN A  79      -5.455 -18.160  -5.243  1.00  4.35           C
ATOM    868  C   ASN A  79      -4.241 -18.235  -6.176  1.00  2.32           C
ATOM    869  O   ASN A  79      -3.629 -19.296  -6.341  1.00  1.14           O
ATOM    870  CB  ASN A  79      -6.785 -18.067  -6.061  1.00  1.25           C
ATOM    871  CG  ASN A  79      -7.014 -19.206  -7.076  1.00 63.02           C
ATOM    872  OD1 ASN A  79      -6.520 -20.326  -6.918  1.00 71.44           O
ATOM    873  ND2 ASN A  79      -7.802 -18.932  -8.111  1.00 72.52           N
ATOM      0  H   ASN A  79      -4.521 -16.376  -4.632  1.00 45.20           H   new
ATOM      0  HA  ASN A  79      -5.530 -19.069  -4.646  1.00  4.35           H   new
ATOM      0  HB2 ASN A  79      -7.622 -18.051  -5.363  1.00  1.25           H   new
ATOM      0  HB3 ASN A  79      -6.798 -17.117  -6.596  1.00  1.25           H   new
ATOM      0 HD21 ASN A  79      -8.011 -19.656  -8.798  1.00 72.52           H   new
ATOM      0 HD22 ASN A  79      -8.197 -17.998  -8.218  1.00 72.52           H   new
ATOM    880  N   LYS A  80      -3.889 -17.075  -6.748  1.00 15.33           N
ATOM    881  CA  LYS A  80      -2.725 -16.926  -7.633  1.00 52.12           C
ATOM    882  C   LYS A  80      -2.258 -15.460  -7.604  1.00 24.21           C
ATOM    883  O   LYS A  80      -2.639 -14.645  -8.450  1.00 60.04           O
ATOM    884  CB  LYS A  80      -3.038 -17.408  -9.083  1.00  1.31           C
ATOM    885  CG  LYS A  80      -1.797 -17.453 -10.017  1.00 64.41           C
ATOM    886  CD  LYS A  80      -2.097 -18.058 -11.411  1.00  2.30           C
ATOM    887  CE  LYS A  80      -0.840 -18.143 -12.303  1.00 40.13           C
ATOM    888  NZ  LYS A  80      -1.126 -18.790 -13.608  1.00 44.20           N
ATOM      0  H   LYS A  80      -4.408 -16.208  -6.609  1.00 15.33           H   new
ATOM      0  HA  LYS A  80      -1.917 -17.562  -7.271  1.00 52.12           H   new
ATOM      0  HB2 LYS A  80      -3.481 -18.403  -9.036  1.00  1.31           H   new
ATOM      0  HB3 LYS A  80      -3.786 -16.747  -9.521  1.00  1.31           H   new
ATOM      0  HG2 LYS A  80      -1.410 -16.442 -10.144  1.00 64.41           H   new
ATOM      0  HG3 LYS A  80      -1.012 -18.037  -9.537  1.00 64.41           H   new
ATOM      0  HD2 LYS A  80      -2.519 -19.056 -11.287  1.00  2.30           H   new
ATOM      0  HD3 LYS A  80      -2.853 -17.452 -11.911  1.00  2.30           H   new
ATOM      0  HE2 LYS A  80      -0.448 -17.140 -12.474  1.00 40.13           H   new
ATOM      0  HE3 LYS A  80      -0.064 -18.704 -11.783  1.00 40.13           H   new
ATOM      0  HZ1 LYS A  80      -0.255 -18.827 -14.176  1.00 44.20           H   new
ATOM      0  HZ2 LYS A  80      -1.475 -19.756 -13.447  1.00 44.20           H   new
ATOM      0  HZ3 LYS A  80      -1.848 -18.241 -14.117  1.00 44.20           H   new
ATOM    902  N   ILE A  81      -1.495 -15.142  -6.550  1.00 13.10           N
ATOM    903  CA  ILE A  81      -0.883 -13.821  -6.310  1.00 73.25           C
ATOM    904  C   ILE A  81       0.564 -14.037  -5.795  1.00 31.44           C
ATOM    905  O   ILE A  81       1.114 -15.130  -5.972  1.00 44.10           O
ATOM    906  CB  ILE A  81      -1.777 -12.945  -5.313  1.00 50.40           C
ATOM    907  CG1 ILE A  81      -2.256 -13.743  -4.032  1.00 54.32           C
ATOM    908  CG2 ILE A  81      -2.988 -12.318  -6.052  1.00 62.54           C
ATOM    909  CD1 ILE A  81      -1.264 -13.801  -2.884  1.00 44.50           C
ATOM      0  H   ILE A  81      -1.278 -15.816  -5.816  1.00 13.10           H   new
ATOM      0  HA  ILE A  81      -0.836 -13.251  -7.238  1.00 73.25           H   new
ATOM      0  HB  ILE A  81      -1.129 -12.145  -4.954  1.00 50.40           H   new
ATOM      0 HG12 ILE A  81      -3.179 -13.290  -3.668  1.00 54.32           H   new
ATOM      0 HG13 ILE A  81      -2.498 -14.763  -4.331  1.00 54.32           H   new
ATOM      0 HG21 ILE A  81      -3.577 -11.728  -5.350  1.00 62.54           H   new
ATOM      0 HG22 ILE A  81      -2.630 -11.674  -6.856  1.00 62.54           H   new
ATOM      0 HG23 ILE A  81      -3.609 -13.110  -6.471  1.00 62.54           H   new
ATOM      0 HD11 ILE A  81      -1.694 -14.371  -2.060  1.00 44.50           H   new
ATOM      0 HD12 ILE A  81      -0.347 -14.285  -3.220  1.00 44.50           H   new
ATOM      0 HD13 ILE A  81      -1.038 -12.789  -2.547  1.00 44.50           H   new
ATOM    921  N   HIS A  82       1.198 -12.992  -5.229  1.00 61.41           N
ATOM    922  CA  HIS A  82       2.549 -13.108  -4.604  1.00 61.44           C
ATOM    923  C   HIS A  82       2.809 -11.942  -3.626  1.00 73.22           C
ATOM    924  O   HIS A  82       3.954 -11.532  -3.400  1.00 52.02           O
ATOM    925  CB  HIS A  82       3.661 -13.243  -5.696  1.00  4.01           C
ATOM    926  CG  HIS A  82       3.554 -12.266  -6.834  1.00 44.25           C
ATOM    927  ND1 HIS A  82       3.974 -10.996  -6.950  1.00 43.35           N   flip
ATOM    928  CD2 HIS A  82       2.949 -12.571  -8.033  1.00 40.22           C   flip
ATOM    929  CE1 HIS A  82       3.625 -10.553  -8.202  1.00 13.52           C   flip
ATOM    930  NE2 HIS A  82       3.006 -11.526  -8.834  1.00 23.35           N   flip
ATOM      0  H   HIS A  82       0.803 -12.052  -5.187  1.00 61.41           H   new
ATOM      0  HA  HIS A  82       2.580 -14.023  -4.012  1.00 61.44           H   new
ATOM      0  HB2 HIS A  82       4.634 -13.119  -5.220  1.00  4.01           H   new
ATOM      0  HB3 HIS A  82       3.631 -14.255  -6.101  1.00  4.01           H   new
ATOM      0  HD2 HIS A  82       2.497 -13.521  -8.279  1.00 40.22           H   new
ATOM      0  HE1 HIS A  82       3.825  -9.570  -8.601  1.00 13.52           H   new
ATOM      0  HE2 HIS A  82       2.634 -11.480  -9.782  1.00 23.35           H   new
ATOM    939  N   GLY A  83       1.701 -11.446  -3.047  1.00 23.03           N
ATOM    940  CA  GLY A  83       1.722 -10.479  -1.947  1.00 61.12           C
ATOM    941  C   GLY A  83       2.371  -9.139  -2.282  1.00 63.12           C
ATOM    942  O   GLY A  83       3.136  -8.613  -1.481  1.00 64.35           O
ATOM      0  H   GLY A  83       0.759 -11.711  -3.336  1.00 23.03           H   new
ATOM      0  HA2 GLY A  83       0.698 -10.299  -1.621  1.00 61.12           H   new
ATOM      0  HA3 GLY A  83       2.251 -10.922  -1.103  1.00 61.12           H   new
ATOM    946  N   THR A  84       2.055  -8.572  -3.458  1.00  3.32           N
ATOM    947  CA  THR A  84       2.619  -7.281  -3.901  1.00 14.42           C
ATOM    948  C   THR A  84       1.586  -6.158  -3.732  1.00 12.52           C
ATOM    949  O   THR A  84       0.386  -6.361  -3.983  1.00 11.11           O
ATOM    950  CB  THR A  84       3.089  -7.353  -5.389  1.00 52.21           C
ATOM    951  OG1 THR A  84       4.000  -8.442  -5.535  1.00 20.30           O
ATOM    952  CG2 THR A  84       3.778  -6.065  -5.873  1.00 43.02           C
ATOM      0  H   THR A  84       1.407  -8.990  -4.126  1.00  3.32           H   new
ATOM      0  HA  THR A  84       3.486  -7.064  -3.277  1.00 14.42           H   new
ATOM      0  HB  THR A  84       2.196  -7.490  -5.999  1.00 52.21           H   new
ATOM      0  HG1 THR A  84       3.565  -9.169  -6.028  1.00 20.30           H   new
ATOM      0 HG21 THR A  84       4.079  -6.183  -6.914  1.00 43.02           H   new
ATOM      0 HG22 THR A  84       3.085  -5.228  -5.788  1.00 43.02           H   new
ATOM      0 HG23 THR A  84       4.658  -5.871  -5.260  1.00 43.02           H   new
ATOM    960  N   ALA A  85       2.082  -4.983  -3.315  1.00 33.42           N
ATOM    961  CA  ALA A  85       1.282  -3.777  -3.093  1.00 63.23           C
ATOM    962  C   ALA A  85       2.131  -2.524  -3.376  1.00  2.42           C
ATOM    963  O   ALA A  85       3.311  -2.461  -2.987  1.00 20.42           O
ATOM    964  CB  ALA A  85       0.762  -3.756  -1.655  1.00 61.30           C
ATOM      0  H   ALA A  85       3.074  -4.846  -3.119  1.00 33.42           H   new
ATOM      0  HA  ALA A  85       0.430  -3.781  -3.773  1.00 63.23           H   new
ATOM      0  HB1 ALA A  85       0.168  -2.856  -1.496  1.00 61.30           H   new
ATOM      0  HB2 ALA A  85       0.143  -4.636  -1.479  1.00 61.30           H   new
ATOM      0  HB3 ALA A  85       1.604  -3.761  -0.963  1.00 61.30           H   new
ATOM    970  N   ASP A  86       1.521  -1.535  -4.042  1.00 13.40           N
ATOM    971  CA  ASP A  86       2.180  -0.265  -4.397  1.00 22.00           C
ATOM    972  C   ASP A  86       1.965   0.723  -3.256  1.00 25.41           C
ATOM    973  O   ASP A  86       0.824   0.968  -2.869  1.00 22.12           O
ATOM    974  CB  ASP A  86       1.580   0.288  -5.716  1.00 54.41           C
ATOM    975  CG  ASP A  86       1.719  -0.705  -6.880  1.00 63.11           C
ATOM    976  OD1 ASP A  86       0.891  -1.639  -6.982  1.00 54.52           O
ATOM    977  OD2 ASP A  86       2.662  -0.573  -7.691  1.00 15.21           O
ATOM      0  H   ASP A  86       0.551  -1.591  -4.353  1.00 13.40           H   new
ATOM      0  HA  ASP A  86       3.248  -0.422  -4.549  1.00 22.00           H   new
ATOM      0  HB2 ASP A  86       0.526   0.521  -5.564  1.00 54.41           H   new
ATOM      0  HB3 ASP A  86       2.079   1.222  -5.976  1.00 54.41           H   new
ATOM    982  N   ILE A  87       3.045   1.304  -2.711  1.00  0.24           N
ATOM    983  CA  ILE A  87       2.955   2.097  -1.474  1.00 43.51           C
ATOM    984  C   ILE A  87       3.114   3.604  -1.743  1.00 33.02           C
ATOM    985  O   ILE A  87       3.987   4.056  -2.514  1.00 54.33           O
ATOM    986  CB  ILE A  87       3.955   1.585  -0.381  1.00 74.43           C
ATOM    987  CG1 ILE A  87       5.453   1.745  -0.804  1.00  3.24           C
ATOM    988  CG2 ILE A  87       3.636   0.109  -0.046  1.00 61.22           C
ATOM    989  CD1 ILE A  87       6.453   1.394   0.290  1.00 42.33           C
ATOM      0  H   ILE A  87       3.984   1.241  -3.103  1.00  0.24           H   new
ATOM      0  HA  ILE A  87       1.950   1.954  -1.076  1.00 43.51           H   new
ATOM      0  HB  ILE A  87       3.822   2.205   0.505  1.00 74.43           H   new
ATOM      0 HG12 ILE A  87       5.643   1.112  -1.671  1.00  3.24           H   new
ATOM      0 HG13 ILE A  87       5.622   2.775  -1.118  1.00  3.24           H   new
ATOM      0 HG21 ILE A  87       4.330  -0.250   0.714  1.00 61.22           H   new
ATOM      0 HG22 ILE A  87       2.616   0.034   0.330  1.00 61.22           H   new
ATOM      0 HG23 ILE A  87       3.737  -0.498  -0.945  1.00 61.22           H   new
ATOM      0 HD11 ILE A  87       7.467   1.532  -0.086  1.00 42.33           H   new
ATOM      0 HD12 ILE A  87       6.294   2.043   1.151  1.00 42.33           H   new
ATOM      0 HD13 ILE A  87       6.315   0.355   0.589  1.00 42.33           H   new
ATOM   1001  N   TYR A  88       2.232   4.369  -1.087  1.00 52.12           N
ATOM   1002  CA  TYR A  88       2.040   5.798  -1.308  1.00 35.03           C
ATOM   1003  C   TYR A  88       2.129   6.558   0.011  1.00 44.24           C
ATOM   1004  O   TYR A  88       1.795   6.026   1.073  1.00  1.53           O
ATOM   1005  CB  TYR A  88       0.647   6.060  -1.948  1.00  2.03           C
ATOM   1006  CG  TYR A  88       0.523   5.682  -3.436  1.00 42.44           C
ATOM   1007  CD1 TYR A  88       0.458   4.350  -3.855  1.00 44.31           C
ATOM   1008  CD2 TYR A  88       0.431   6.672  -4.423  1.00 24.23           C
ATOM   1009  CE1 TYR A  88       0.316   4.025  -5.191  1.00 63.11           C
ATOM   1010  CE2 TYR A  88       0.282   6.351  -5.753  1.00 21.52           C
ATOM   1011  CZ  TYR A  88       0.223   5.029  -6.136  1.00 23.23           C
ATOM   1012  OH  TYR A  88       0.080   4.715  -7.467  1.00 12.55           O
ATOM      0  H   TYR A  88       1.616   3.993  -0.366  1.00 52.12           H   new
ATOM      0  HA  TYR A  88       2.824   6.146  -1.980  1.00 35.03           H   new
ATOM      0  HB2 TYR A  88      -0.103   5.504  -1.385  1.00  2.03           H   new
ATOM      0  HB3 TYR A  88       0.408   7.118  -1.838  1.00  2.03           H   new
ATOM      0  HD1 TYR A  88       0.520   3.560  -3.121  1.00 44.31           H   new
ATOM      0  HD2 TYR A  88       0.478   7.711  -4.133  1.00 24.23           H   new
ATOM      0  HE1 TYR A  88       0.278   2.989  -5.495  1.00 63.11           H   new
ATOM      0  HE2 TYR A  88       0.212   7.133  -6.494  1.00 21.52           H   new
ATOM      0  HH  TYR A  88       0.029   5.540  -7.994  1.00 12.55           H   new
ATOM   1022  N   LYS A  89       2.550   7.818  -0.078  1.00 34.23           N
ATOM   1023  CA  LYS A  89       2.512   8.779   1.029  1.00 41.12           C
ATOM   1024  C   LYS A  89       1.493   9.860   0.716  1.00 50.01           C
ATOM   1025  O   LYS A  89       1.297  10.186  -0.457  1.00 41.42           O
ATOM   1026  CB  LYS A  89       3.902   9.418   1.264  1.00 55.22           C
ATOM   1027  CG  LYS A  89       4.871   8.515   2.042  1.00 75.52           C
ATOM   1028  CD  LYS A  89       6.115   9.258   2.560  1.00 21.13           C
ATOM   1029  CE  LYS A  89       5.755  10.370   3.566  1.00 41.03           C
ATOM   1030  NZ  LYS A  89       4.992   9.857   4.738  1.00 14.34           N
ATOM      0  H   LYS A  89       2.935   8.210  -0.937  1.00 34.23           H   new
ATOM      0  HA  LYS A  89       2.228   8.251   1.939  1.00 41.12           H   new
ATOM      0  HB2 LYS A  89       4.346   9.667   0.300  1.00 55.22           H   new
ATOM      0  HB3 LYS A  89       3.775  10.354   1.808  1.00 55.22           H   new
ATOM      0  HG2 LYS A  89       4.344   8.071   2.887  1.00 75.52           H   new
ATOM      0  HG3 LYS A  89       5.188   7.695   1.398  1.00 75.52           H   new
ATOM      0  HD2 LYS A  89       6.790   8.546   3.035  1.00 21.13           H   new
ATOM      0  HD3 LYS A  89       6.653   9.693   1.718  1.00 21.13           H   new
ATOM      0  HE2 LYS A  89       6.670  10.850   3.914  1.00 41.03           H   new
ATOM      0  HE3 LYS A  89       5.166  11.135   3.061  1.00 41.03           H   new
ATOM      0  HZ1 LYS A  89       5.201  10.443   5.572  1.00 14.34           H   new
ATOM      0  HZ2 LYS A  89       3.973   9.897   4.533  1.00 14.34           H   new
ATOM      0  HZ3 LYS A  89       5.268   8.873   4.928  1.00 14.34           H   new
ATOM   1044  N   LYS A  90       0.849  10.431   1.754  1.00 22.20           N
ATOM   1045  CA  LYS A  90      -0.138  11.498   1.533  1.00 22.40           C
ATOM   1046  C   LYS A  90       0.580  12.838   1.312  1.00 71.51           C
ATOM   1047  O   LYS A  90       1.600  13.120   1.943  1.00 52.44           O
ATOM   1048  CB  LYS A  90      -1.186  11.640   2.678  1.00 41.24           C
ATOM   1049  CG  LYS A  90      -2.434  12.439   2.216  1.00 53.00           C
ATOM   1050  CD  LYS A  90      -3.438  12.790   3.328  1.00 41.23           C
ATOM   1051  CE  LYS A  90      -4.647  13.577   2.770  1.00  0.12           C
ATOM   1052  NZ  LYS A  90      -4.229  14.804   2.026  1.00 41.43           N
ATOM      0  H   LYS A  90       0.992  10.176   2.731  1.00 22.20           H   new
ATOM      0  HA  LYS A  90      -0.698  11.213   0.643  1.00 22.40           H   new
ATOM      0  HB2 LYS A  90      -1.492  10.650   3.016  1.00 41.24           H   new
ATOM      0  HB3 LYS A  90      -0.728  12.141   3.531  1.00 41.24           H   new
ATOM      0  HG2 LYS A  90      -2.100  13.364   1.746  1.00 53.00           H   new
ATOM      0  HG3 LYS A  90      -2.952  11.861   1.450  1.00 53.00           H   new
ATOM      0  HD2 LYS A  90      -3.787  11.875   3.807  1.00 41.23           H   new
ATOM      0  HD3 LYS A  90      -2.940  13.382   4.096  1.00 41.23           H   new
ATOM      0  HE2 LYS A  90      -5.224  12.932   2.107  1.00  0.12           H   new
ATOM      0  HE3 LYS A  90      -5.305  13.859   3.592  1.00  0.12           H   new
ATOM      0  HZ1 LYS A  90      -4.746  15.627   2.395  1.00 41.43           H   new
ATOM      0  HZ2 LYS A  90      -3.207  14.954   2.149  1.00 41.43           H   new
ATOM      0  HZ3 LYS A  90      -4.442  14.686   1.015  1.00 41.43           H   new
ATOM   1066  N   LYS A  91       0.035  13.626   0.390  1.00 75.24           N
ATOM   1067  CA  LYS A  91       0.522  14.958   0.051  1.00 23.31           C
ATOM   1068  C   LYS A  91      -0.261  16.010   0.848  1.00 61.02           C
ATOM   1069  O   LYS A  91      -1.496  15.922   0.975  1.00 65.14           O
ATOM   1070  CB  LYS A  91       0.339  15.192  -1.471  1.00 31.32           C
ATOM   1071  CG  LYS A  91       1.148  14.225  -2.360  1.00  1.13           C
ATOM   1072  CD  LYS A  91       0.807  14.352  -3.864  1.00  2.54           C
ATOM   1073  CE  LYS A  91       1.056  15.762  -4.438  1.00 72.14           C
ATOM   1074  NZ  LYS A  91       0.726  15.841  -5.884  1.00 35.20           N
ATOM      0  H   LYS A  91      -0.780  13.347  -0.157  1.00 75.24           H   new
ATOM      0  HA  LYS A  91       1.579  15.043   0.303  1.00 23.31           H   new
ATOM      0  HB2 LYS A  91      -0.718  15.096  -1.718  1.00 31.32           H   new
ATOM      0  HB3 LYS A  91       0.630  16.215  -1.708  1.00 31.32           H   new
ATOM      0  HG2 LYS A  91       2.212  14.415  -2.218  1.00  1.13           H   new
ATOM      0  HG3 LYS A  91       0.961  13.201  -2.037  1.00  1.13           H   new
ATOM      0  HD2 LYS A  91       1.401  13.631  -4.425  1.00  2.54           H   new
ATOM      0  HD3 LYS A  91      -0.240  14.088  -4.014  1.00  2.54           H   new
ATOM      0  HE2 LYS A  91       0.456  16.488  -3.889  1.00 72.14           H   new
ATOM      0  HE3 LYS A  91       2.101  16.035  -4.289  1.00 72.14           H   new
ATOM      0  HZ1 LYS A  91       0.908  16.805  -6.229  1.00 35.20           H   new
ATOM      0  HZ2 LYS A  91       1.316  15.167  -6.412  1.00 35.20           H   new
ATOM      0  HZ3 LYS A  91      -0.277  15.606  -6.024  1.00 35.20           H   new
ATOM   1088  N   LEU A  92       0.478  16.980   1.404  1.00  3.01           N
ATOM   1089  CA  LEU A  92      -0.101  18.143   2.078  1.00 63.33           C
ATOM   1090  C   LEU A  92      -0.437  19.172   0.987  1.00 40.44           C
ATOM   1091  O   LEU A  92       0.470  19.730   0.359  1.00 22.24           O
ATOM   1092  CB  LEU A  92       0.912  18.726   3.127  1.00 61.31           C
ATOM   1093  CG  LEU A  92       0.319  19.602   4.293  1.00 32.42           C
ATOM   1094  CD1 LEU A  92       1.401  19.923   5.350  1.00 23.23           C
ATOM   1095  CD2 LEU A  92      -0.348  20.914   3.794  1.00 52.35           C
ATOM      0  H   LEU A  92       1.498  16.977   1.397  1.00  3.01           H   new
ATOM      0  HA  LEU A  92      -1.002  17.873   2.629  1.00 63.33           H   new
ATOM      0  HB2 LEU A  92       1.453  17.892   3.573  1.00 61.31           H   new
ATOM      0  HB3 LEU A  92       1.644  19.330   2.590  1.00 61.31           H   new
ATOM      0  HG  LEU A  92      -0.466  19.001   4.752  1.00 32.42           H   new
ATOM      0 HD11 LEU A  92       0.965  20.529   6.144  1.00 23.23           H   new
ATOM      0 HD12 LEU A  92       1.785  18.994   5.771  1.00 23.23           H   new
ATOM      0 HD13 LEU A  92       2.217  20.473   4.880  1.00 23.23           H   new
ATOM      0 HD21 LEU A  92      -0.736  21.472   4.646  1.00 52.35           H   new
ATOM      0 HD22 LEU A  92       0.390  21.521   3.269  1.00 52.35           H   new
ATOM      0 HD23 LEU A  92      -1.166  20.671   3.116  1.00 52.35           H   new
ATOM   1107  N   GLU A  93      -1.731  19.368   0.729  1.00 22.34           N
ATOM   1108  CA  GLU A  93      -2.214  20.406  -0.190  1.00  4.15           C
ATOM   1109  C   GLU A  93      -3.381  21.130   0.514  1.00 55.35           C
ATOM   1110  O   GLU A  93      -4.508  20.623   0.546  1.00 51.33           O
ATOM   1111  CB  GLU A  93      -2.638  19.776  -1.557  1.00 50.44           C
ATOM   1112  CG  GLU A  93      -2.486  20.700  -2.792  1.00 43.11           C
ATOM   1113  CD  GLU A  93      -3.297  22.007  -2.712  1.00 73.45           C
ATOM   1114  OE1 GLU A  93      -4.527  21.961  -2.901  1.00  5.21           O
ATOM   1115  OE2 GLU A  93      -2.709  23.082  -2.448  1.00 33.22           O
ATOM      0  H   GLU A  93      -2.476  18.813   1.150  1.00 22.34           H   new
ATOM      0  HA  GLU A  93      -1.430  21.126  -0.424  1.00  4.15           H   new
ATOM      0  HB2 GLU A  93      -2.045  18.877  -1.722  1.00 50.44           H   new
ATOM      0  HB3 GLU A  93      -3.679  19.462  -1.485  1.00 50.44           H   new
ATOM      0  HG2 GLU A  93      -1.432  20.948  -2.918  1.00 43.11           H   new
ATOM      0  HG3 GLU A  93      -2.793  20.150  -3.682  1.00 43.11           H   new
ATOM   1122  N   HIS A  94      -3.071  22.291   1.126  1.00 34.33           N
ATOM   1123  CA  HIS A  94      -4.035  23.089   1.909  1.00 55.42           C
ATOM   1124  C   HIS A  94      -4.949  23.894   0.964  1.00 14.25           C
ATOM   1125  O   HIS A  94      -4.671  25.055   0.636  1.00 44.31           O
ATOM   1126  CB  HIS A  94      -3.278  24.026   2.900  1.00 63.10           C
ATOM   1127  CG  HIS A  94      -4.175  24.883   3.771  1.00 22.51           C
ATOM   1128  ND1 HIS A  94      -4.498  26.189   3.468  1.00 44.32           N
ATOM   1129  CD2 HIS A  94      -4.832  24.602   4.921  1.00 21.24           C
ATOM   1130  CE1 HIS A  94      -5.312  26.665   4.389  1.00 24.23           C
ATOM   1131  NE2 HIS A  94      -5.531  25.723   5.283  1.00 61.23           N
ATOM      0  H   HIS A  94      -2.139  22.703   1.090  1.00 34.33           H   new
ATOM      0  HA  HIS A  94      -4.664  22.418   2.494  1.00 55.42           H   new
ATOM      0  HB2 HIS A  94      -2.645  23.416   3.544  1.00 63.10           H   new
ATOM      0  HB3 HIS A  94      -2.618  24.679   2.329  1.00 63.10           H   new
ATOM      0  HD2 HIS A  94      -4.809  23.664   5.456  1.00 21.24           H   new
ATOM      0  HE1 HIS A  94      -5.730  27.661   4.407  1.00 24.23           H   new
ATOM      0  HE2 HIS A  94      -6.123  25.813   6.109  1.00 61.23           H   new
ATOM   1140  N   HIS A  95      -6.007  23.234   0.469  1.00 34.13           N
ATOM   1141  CA  HIS A  95      -7.054  23.883  -0.344  1.00 10.31           C
ATOM   1142  C   HIS A  95      -8.297  24.154   0.520  1.00 61.00           C
ATOM   1143  O   HIS A  95      -8.848  25.256   0.494  1.00 21.40           O
ATOM   1144  CB  HIS A  95      -7.426  23.007  -1.564  1.00 61.40           C
ATOM   1145  CG  HIS A  95      -8.497  23.601  -2.447  1.00 55.54           C
ATOM   1146  ND1 HIS A  95      -9.669  22.944  -2.752  1.00 32.32           N
ATOM   1147  CD2 HIS A  95      -8.569  24.802  -3.079  1.00 44.43           C
ATOM   1148  CE1 HIS A  95     -10.415  23.710  -3.527  1.00 21.22           C
ATOM   1149  NE2 HIS A  95      -9.776  24.843  -3.734  1.00 72.24           N
ATOM      0  H   HIS A  95      -6.163  22.237   0.619  1.00 34.13           H   new
ATOM      0  HA  HIS A  95      -6.666  24.832  -0.715  1.00 10.31           H   new
ATOM      0  HB2 HIS A  95      -6.531  22.837  -2.162  1.00 61.40           H   new
ATOM      0  HB3 HIS A  95      -7.762  22.033  -1.209  1.00 61.40           H   new
ATOM      0  HD2 HIS A  95      -7.818  25.578  -3.068  1.00 44.43           H   new
ATOM      0  HE1 HIS A  95     -11.385  23.451  -3.924  1.00 21.22           H   new
ATOM      0  HE2 HIS A  95     -10.122  25.625  -4.291  1.00 72.24           H   new
ATOM   1158  N   HIS A  96      -8.733  23.132   1.277  1.00 10.33           N
ATOM   1159  CA  HIS A  96      -9.908  23.225   2.156  1.00  4.43           C
ATOM   1160  C   HIS A  96      -9.583  22.540   3.493  1.00 23.32           C
ATOM   1161  O   HIS A  96      -9.789  21.331   3.655  1.00 75.43           O
ATOM   1162  CB  HIS A  96     -11.161  22.597   1.470  1.00 13.42           C
ATOM   1163  CG  HIS A  96     -12.488  22.886   2.145  1.00 44.11           C
ATOM   1164  ND1 HIS A  96     -13.573  23.393   1.468  1.00 51.33           N
ATOM   1165  CD2 HIS A  96     -12.902  22.740   3.430  1.00 62.13           C
ATOM   1166  CE1 HIS A  96     -14.586  23.537   2.296  1.00 64.04           C
ATOM   1167  NE2 HIS A  96     -14.206  23.149   3.497  1.00 55.02           N
ATOM      0  H   HIS A  96      -8.279  22.219   1.295  1.00 10.33           H   new
ATOM      0  HA  HIS A  96     -10.146  24.271   2.348  1.00  4.43           H   new
ATOM      0  HB2 HIS A  96     -11.210  22.957   0.442  1.00 13.42           H   new
ATOM      0  HB3 HIS A  96     -11.025  21.517   1.423  1.00 13.42           H   new
ATOM      0  HD2 HIS A  96     -12.308  22.368   4.252  1.00 62.13           H   new
ATOM      0  HE1 HIS A  96     -15.565  23.911   2.035  1.00 64.04           H   new
ATOM      0  HE2 HIS A  96     -14.787  23.153   4.336  1.00 55.02           H   new
ATOM   1176  N   HIS A  97      -9.022  23.322   4.423  1.00 65.14           N
ATOM   1177  CA  HIS A  97      -8.748  22.879   5.794  1.00 62.34           C
ATOM   1178  C   HIS A  97      -8.712  24.115   6.704  1.00  1.23           C
ATOM   1179  O   HIS A  97      -7.639  24.636   7.027  1.00 72.52           O
ATOM   1180  CB  HIS A  97      -7.423  22.062   5.864  1.00 15.24           C
ATOM   1181  CG  HIS A  97      -7.079  21.525   7.234  1.00 24.44           C
ATOM   1182  ND1 HIS A  97      -6.397  22.262   8.176  1.00 63.31           N
ATOM   1183  CD2 HIS A  97      -7.328  20.326   7.816  1.00 54.22           C
ATOM   1184  CE1 HIS A  97      -6.245  21.549   9.271  1.00  2.44           C
ATOM   1185  NE2 HIS A  97      -6.802  20.368   9.085  1.00 22.11           N
ATOM      0  H   HIS A  97      -8.744  24.287   4.243  1.00 65.14           H   new
ATOM      0  HA  HIS A  97      -9.537  22.209   6.135  1.00 62.34           H   new
ATOM      0  HB2 HIS A  97      -7.492  21.226   5.168  1.00 15.24           H   new
ATOM      0  HB3 HIS A  97      -6.604  22.695   5.522  1.00 15.24           H   new
ATOM      0  HD1 HIS A  97      -6.061  23.216   8.045  1.00 63.31           H   new
ATOM      0  HD2 HIS A  97      -7.845  19.492   7.365  1.00 54.22           H   new
ATOM      0  HE1 HIS A  97      -5.747  21.876  10.172  1.00  2.44           H   new
ATOM   1194  N   HIS A  98      -9.914  24.617   7.032  1.00 61.42           N
ATOM   1195  CA  HIS A  98     -10.122  25.768   7.932  1.00 73.22           C
ATOM   1196  C   HIS A  98     -11.626  26.006   8.085  1.00 64.13           C
ATOM   1197  O   HIS A  98     -12.172  25.940   9.191  1.00 32.22           O
ATOM   1198  CB  HIS A  98      -9.431  27.057   7.404  1.00 64.31           C
ATOM   1199  CG  HIS A  98      -9.665  28.282   8.256  1.00 23.30           C
ATOM   1200  ND1 HIS A  98     -10.050  29.499   7.741  1.00 64.02           N
ATOM   1201  CD2 HIS A  98      -9.552  28.466   9.592  1.00 71.13           C
ATOM   1202  CE1 HIS A  98     -10.155  30.373   8.719  1.00 43.15           C
ATOM   1203  NE2 HIS A  98      -9.862  29.772   9.851  1.00  1.40           N
ATOM      0  H   HIS A  98     -10.786  24.228   6.673  1.00 61.42           H   new
ATOM      0  HA  HIS A  98      -9.671  25.536   8.897  1.00 73.22           H   new
ATOM      0  HB2 HIS A  98      -8.358  26.877   7.334  1.00 64.31           H   new
ATOM      0  HB3 HIS A  98      -9.787  27.258   6.394  1.00 64.31           H   new
ATOM      0  HD2 HIS A  98      -9.269  27.719  10.319  1.00 71.13           H   new
ATOM      0  HE1 HIS A  98     -10.435  31.410   8.610  1.00 43.15           H   new
ATOM      0  HE2 HIS A  98      -9.865  30.209  10.773  1.00  1.40           H   new
ATOM   1212  N   HIS A  99     -12.271  26.281   6.945  1.00 13.53           N
ATOM   1213  CA  HIS A  99     -13.703  26.579   6.850  1.00 25.14           C
ATOM   1214  C   HIS A  99     -14.111  26.438   5.366  1.00 35.32           C
ATOM   1215  O   HIS A  99     -14.850  25.499   5.030  1.00 25.33           O
ATOM   1216  CB  HIS A  99     -14.022  28.008   7.398  1.00  3.12           C
ATOM   1217  CG  HIS A  99     -15.435  28.474   7.128  1.00 20.11           C
ATOM   1218  ND1 HIS A  99     -15.724  29.669   6.505  1.00 13.43           N
ATOM   1219  CD2 HIS A  99     -16.635  27.900   7.396  1.00 75.23           C
ATOM   1220  CE1 HIS A  99     -17.029  29.802   6.388  1.00 73.10           C
ATOM   1221  NE2 HIS A  99     -17.607  28.746   6.922  1.00 43.35           N
ATOM   1222  OXT HIS A  99     -13.636  27.245   4.539  1.00 37.54           O
ATOM      0  H   HIS A  99     -11.799  26.303   6.041  1.00 13.53           H   new
ATOM      0  HA  HIS A  99     -14.275  25.882   7.463  1.00 25.14           H   new
ATOM      0  HB2 HIS A  99     -13.847  28.020   8.474  1.00  3.12           H   new
ATOM      0  HB3 HIS A  99     -13.326  28.719   6.954  1.00  3.12           H   new
ATOM      0  HD2 HIS A  99     -16.796  26.953   7.890  1.00 75.23           H   new
ATOM      0  HE1 HIS A  99     -17.539  30.637   5.931  1.00 73.10           H   new
ATOM      0  HE2 HIS A  99     -18.613  28.583   6.975  1.00 43.35           H   new
TER    1231      HIS A  99