USER  MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=21
USER  MOD reduce.3.24.130724 removed 485 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  73 THR OG1 :   rot -135:sc=   0.353
USER  MOD Set 1.2: A  84 THR OG1 :   rot  180:sc=       0
USER  MOD Set 2.1: A  39 LYS NZ  :NH3+   -172:sc=    1.15   (180deg=0.14)
USER  MOD Set 2.2: A  42 THR OG1 :   rot  180:sc=   0.763
USER  MOD Single : A  25 MET CE  :methyl -179:sc= -0.0913   (180deg=-0.0962)
USER  MOD Single : A  26 LYS NZ  :NH3+   -169:sc=-0.00576   (180deg=-0.15)
USER  MOD Single : A  27 LYS NZ  :NH3+   -179:sc=   0.484   (180deg=0.378)
USER  MOD Single : A  28 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  32 LYS NZ  :NH3+    168:sc=   0.502   (180deg=0.425)
USER  MOD Single : A  35 SER OG  :   rot  180:sc=       0
USER  MOD Single : A  37 TYR OH  :   rot  180:sc=  -0.461
USER  MOD Single : A  38 THR OG1 :   rot   45:sc=   0.195
USER  MOD Single : A  44 SER OG  :   rot   37:sc=   0.364
USER  MOD Single : A  45 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  46 THR OG1 :   rot  180:sc=       0
USER  MOD Single : A  49 MET CE  :methyl  160:sc= -0.0165   (180deg=-0.45)
USER  MOD Single : A  50 SER OG  :   rot  121:sc=   0.422
USER  MOD Single : A  60 LYS NZ  :NH3+    180:sc=       0   (180deg=0)
USER  MOD Single : A  61 LYS NZ  :NH3+   -176:sc=   0.516   (180deg=0.434)
USER  MOD Single : A  65 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+    180:sc=       0   (180deg=0)
USER  MOD Single : A  90 LYS NZ  :NH3+   -165:sc= -0.0166   (180deg=-0.204)
USER  MOD Single : A  91 LYS NZ  :NH3+   -123:sc=  0.0263   (180deg=-1.93!)
USER  MOD -----------------------------------------------------------------
ATOM      1  N   ALA A  22       0.148   2.686   8.483  1.00 44.01           N
ATOM      2  CA  ALA A  22      -0.294   2.421   7.100  1.00 34.54           C
ATOM      3  C   ALA A  22      -1.611   1.628   7.110  1.00 42.01           C
ATOM      4  O   ALA A  22      -2.023   1.109   8.159  1.00 10.13           O
ATOM      5  CB  ALA A  22       0.802   1.686   6.313  1.00 15.34           C
ATOM      0  HA  ALA A  22      -0.476   3.371   6.597  1.00 34.54           H   new
ATOM      0  HB1 ALA A  22       0.457   1.500   5.296  1.00 15.34           H   new
ATOM      0  HB2 ALA A  22       1.703   2.299   6.284  1.00 15.34           H   new
ATOM      0  HB3 ALA A  22       1.025   0.737   6.800  1.00 15.34           H   new
ATOM     13  N   GLU A  23      -2.265   1.535   5.939  1.00 33.25           N
ATOM     14  CA  GLU A  23      -3.558   0.837   5.795  1.00 33.53           C
ATOM     15  C   GLU A  23      -3.726   0.293   4.369  1.00 74.22           C
ATOM     16  O   GLU A  23      -3.286   0.916   3.406  1.00 14.13           O
ATOM     17  CB  GLU A  23      -4.730   1.788   6.149  1.00  0.02           C
ATOM     18  CG  GLU A  23      -4.805   3.060   5.279  1.00 62.12           C
ATOM     19  CD  GLU A  23      -6.001   3.948   5.633  1.00 43.51           C
ATOM     20  OE1 GLU A  23      -7.122   3.666   5.159  1.00 50.41           O
ATOM     21  OE2 GLU A  23      -5.836   4.919   6.401  1.00 61.02           O
ATOM      0  H   GLU A  23      -1.916   1.938   5.070  1.00 33.25           H   new
ATOM      0  HA  GLU A  23      -3.570  -0.004   6.488  1.00 33.53           H   new
ATOM      0  HB2 GLU A  23      -5.668   1.241   6.052  1.00  0.02           H   new
ATOM      0  HB3 GLU A  23      -4.639   2.083   7.195  1.00  0.02           H   new
ATOM      0  HG2 GLU A  23      -3.885   3.632   5.399  1.00 62.12           H   new
ATOM      0  HG3 GLU A  23      -4.868   2.774   4.229  1.00 62.12           H   new
ATOM     28  N   ILE A  24      -4.377  -0.870   4.255  1.00 50.24           N
ATOM     29  CA  ILE A  24      -4.655  -1.525   2.963  1.00 11.55           C
ATOM     30  C   ILE A  24      -5.882  -0.880   2.298  1.00 55.13           C
ATOM     31  O   ILE A  24      -6.908  -0.677   2.964  1.00 70.21           O
ATOM     32  CB  ILE A  24      -4.927  -3.065   3.169  1.00 73.53           C
ATOM     33  CG1 ILE A  24      -3.672  -3.779   3.754  1.00 50.04           C
ATOM     34  CG2 ILE A  24      -5.408  -3.759   1.864  1.00 23.41           C
ATOM     35  CD1 ILE A  24      -2.474  -3.867   2.818  1.00 74.55           C
ATOM      0  H   ILE A  24      -4.730  -1.390   5.059  1.00 50.24           H   new
ATOM      0  HA  ILE A  24      -3.782  -1.399   2.322  1.00 11.55           H   new
ATOM      0  HB  ILE A  24      -5.739  -3.152   3.891  1.00 73.53           H   new
ATOM      0 HG12 ILE A  24      -3.366  -3.255   4.660  1.00 50.04           H   new
ATOM      0 HG13 ILE A  24      -3.955  -4.789   4.050  1.00 50.04           H   new
ATOM      0 HG21 ILE A  24      -5.582  -4.818   2.058  1.00 23.41           H   new
ATOM      0 HG22 ILE A  24      -6.335  -3.295   1.526  1.00 23.41           H   new
ATOM      0 HG23 ILE A  24      -4.646  -3.652   1.092  1.00 23.41           H   new
ATOM      0 HD11 ILE A  24      -1.656  -4.381   3.322  1.00 74.55           H   new
ATOM      0 HD12 ILE A  24      -2.753  -4.420   1.921  1.00 74.55           H   new
ATOM      0 HD13 ILE A  24      -2.155  -2.863   2.540  1.00 74.55           H   new
ATOM     47  N   MET A  25      -5.766  -0.548   0.997  1.00 60.55           N
ATOM     48  CA  MET A  25      -6.920  -0.178   0.150  1.00 24.13           C
ATOM     49  C   MET A  25      -6.775  -0.799  -1.248  1.00  5.24           C
ATOM     50  O   MET A  25      -5.685  -1.244  -1.654  1.00 31.12           O
ATOM     51  CB  MET A  25      -7.125   1.374   0.033  1.00 35.12           C
ATOM     52  CG  MET A  25      -7.529   2.085   1.345  1.00 53.32           C
ATOM     53  SD  MET A  25      -8.491   3.601   1.108  1.00 22.53           S
ATOM     54  CE  MET A  25      -7.441   4.557   0.019  1.00 64.13           C
ATOM      0  H   MET A  25      -4.873  -0.528   0.504  1.00 60.55           H   new
ATOM      0  HA  MET A  25      -7.808  -0.577   0.641  1.00 24.13           H   new
ATOM      0  HB2 MET A  25      -6.200   1.820  -0.333  1.00 35.12           H   new
ATOM      0  HB3 MET A  25      -7.891   1.568  -0.717  1.00 35.12           H   new
ATOM      0  HG2 MET A  25      -8.109   1.393   1.956  1.00 53.32           H   new
ATOM      0  HG3 MET A  25      -6.626   2.326   1.906  1.00 53.32           H   new
ATOM      0  HE1 MET A  25      -7.911   5.518  -0.188  1.00 64.13           H   new
ATOM      0  HE2 MET A  25      -6.475   4.721   0.496  1.00 64.13           H   new
ATOM      0  HE3 MET A  25      -7.297   4.015  -0.916  1.00 64.13           H   new
ATOM     64  N   LYS A  26      -7.908  -0.826  -1.961  1.00 55.43           N
ATOM     65  CA  LYS A  26      -8.007  -1.313  -3.344  1.00 72.20           C
ATOM     66  C   LYS A  26      -7.486  -0.240  -4.312  1.00  3.43           C
ATOM     67  O   LYS A  26      -7.573   0.949  -4.003  1.00 72.12           O
ATOM     68  CB  LYS A  26      -9.489  -1.630  -3.666  1.00 31.41           C
ATOM     69  CG  LYS A  26     -10.133  -2.664  -2.717  1.00 33.34           C
ATOM     70  CD  LYS A  26     -11.639  -2.873  -2.990  1.00 71.44           C
ATOM     71  CE  LYS A  26     -12.261  -3.951  -2.083  1.00 42.10           C
ATOM     72  NZ  LYS A  26     -11.609  -5.277  -2.253  1.00 54.54           N
ATOM      0  H   LYS A  26      -8.800  -0.504  -1.586  1.00 55.43           H   new
ATOM      0  HA  LYS A  26      -7.406  -2.215  -3.457  1.00 72.20           H   new
ATOM      0  HB2 LYS A  26     -10.065  -0.705  -3.623  1.00 31.41           H   new
ATOM      0  HB3 LYS A  26      -9.556  -2.000  -4.689  1.00 31.41           H   new
ATOM      0  HG2 LYS A  26      -9.614  -3.617  -2.820  1.00 33.34           H   new
ATOM      0  HG3 LYS A  26      -9.998  -2.337  -1.686  1.00 33.34           H   new
ATOM      0  HD2 LYS A  26     -12.166  -1.930  -2.841  1.00 71.44           H   new
ATOM      0  HD3 LYS A  26     -11.780  -3.156  -4.033  1.00 71.44           H   new
ATOM      0  HE2 LYS A  26     -12.178  -3.639  -1.042  1.00 42.10           H   new
ATOM      0  HE3 LYS A  26     -13.324  -4.040  -2.305  1.00 42.10           H   new
ATOM      0  HZ1 LYS A  26     -12.172  -6.005  -1.770  1.00 54.54           H   new
ATOM      0  HZ2 LYS A  26     -11.544  -5.505  -3.266  1.00 54.54           H   new
ATOM      0  HZ3 LYS A  26     -10.654  -5.249  -1.842  1.00 54.54           H   new
ATOM     86  N   LYS A  27      -6.973  -0.673  -5.479  1.00 74.32           N
ATOM     87  CA  LYS A  27      -6.465   0.236  -6.528  1.00 74.21           C
ATOM     88  C   LYS A  27      -7.550   1.244  -6.970  1.00  1.11           C
ATOM     89  O   LYS A  27      -7.349   2.460  -6.877  1.00 14.34           O
ATOM     90  CB  LYS A  27      -5.948  -0.596  -7.734  1.00 63.13           C
ATOM     91  CG  LYS A  27      -5.263   0.220  -8.864  1.00  2.21           C
ATOM     92  CD  LYS A  27      -4.007   1.005  -8.379  1.00  3.44           C
ATOM     93  CE  LYS A  27      -3.191   1.625  -9.531  1.00 31.34           C
ATOM     94  NZ  LYS A  27      -3.947   2.648 -10.283  1.00 63.22           N
ATOM      0  H   LYS A  27      -6.898  -1.661  -5.723  1.00 74.32           H   new
ATOM      0  HA  LYS A  27      -5.637   0.815  -6.119  1.00 74.21           H   new
ATOM      0  HB2 LYS A  27      -5.240  -1.338  -7.365  1.00 63.13           H   new
ATOM      0  HB3 LYS A  27      -6.788  -1.143  -8.162  1.00 63.13           H   new
ATOM      0  HG2 LYS A  27      -4.973  -0.457  -9.667  1.00  2.21           H   new
ATOM      0  HG3 LYS A  27      -5.983   0.923  -9.284  1.00  2.21           H   new
ATOM      0  HD2 LYS A  27      -4.322   1.797  -7.700  1.00  3.44           H   new
ATOM      0  HD3 LYS A  27      -3.365   0.333  -7.809  1.00  3.44           H   new
ATOM      0  HE2 LYS A  27      -2.284   2.074  -9.127  1.00 31.34           H   new
ATOM      0  HE3 LYS A  27      -2.878   0.836 -10.214  1.00 31.34           H   new
ATOM      0  HZ1 LYS A  27      -3.357   3.018 -11.055  1.00 63.22           H   new
ATOM      0  HZ2 LYS A  27      -4.808   2.221 -10.680  1.00 63.22           H   new
ATOM      0  HZ3 LYS A  27      -4.209   3.426  -9.644  1.00 63.22           H   new
ATOM    108  N   THR A  28      -8.713   0.706  -7.366  1.00 24.04           N
ATOM    109  CA  THR A  28      -9.840   1.493  -7.901  1.00 53.13           C
ATOM    110  C   THR A  28     -10.317   2.565  -6.901  1.00 45.02           C
ATOM    111  O   THR A  28     -10.485   3.736  -7.268  1.00 41.30           O
ATOM    112  CB  THR A  28     -11.023   0.544  -8.286  1.00  3.23           C
ATOM    113  OG1 THR A  28     -10.550  -0.451  -9.213  1.00 33.55           O
ATOM    114  CG2 THR A  28     -12.224   1.294  -8.901  1.00 31.24           C
ATOM      0  H   THR A  28      -8.902  -0.296  -7.325  1.00 24.04           H   new
ATOM      0  HA  THR A  28      -9.489   2.011  -8.793  1.00 53.13           H   new
ATOM      0  HB  THR A  28     -11.377   0.080  -7.366  1.00  3.23           H   new
ATOM      0  HG1 THR A  28     -11.288  -1.049  -9.456  1.00 33.55           H   new
ATOM      0 HG21 THR A  28     -13.011   0.581  -9.147  1.00 31.24           H   new
ATOM      0 HG22 THR A  28     -12.604   2.022  -8.184  1.00 31.24           H   new
ATOM      0 HG23 THR A  28     -11.906   1.809  -9.807  1.00 31.24           H   new
ATOM    122  N   ASP A  29     -10.486   2.164  -5.628  1.00 62.21           N
ATOM    123  CA  ASP A  29     -10.984   3.073  -4.579  1.00 75.42           C
ATOM    124  C   ASP A  29      -9.925   4.133  -4.232  1.00  0.44           C
ATOM    125  O   ASP A  29     -10.246   5.310  -4.061  1.00 34.45           O
ATOM    126  CB  ASP A  29     -11.399   2.288  -3.312  1.00 24.33           C
ATOM    127  CG  ASP A  29     -12.004   3.203  -2.229  1.00 52.11           C
ATOM    128  OD1 ASP A  29     -13.140   3.698  -2.427  1.00 74.23           O
ATOM    129  OD2 ASP A  29     -11.342   3.458  -1.197  1.00 51.13           O
ATOM      0  H   ASP A  29     -10.286   1.219  -5.301  1.00 62.21           H   new
ATOM      0  HA  ASP A  29     -11.868   3.580  -4.967  1.00 75.42           H   new
ATOM      0  HB2 ASP A  29     -12.125   1.521  -3.584  1.00 24.33           H   new
ATOM      0  HB3 ASP A  29     -10.529   1.773  -2.905  1.00 24.33           H   new
ATOM    134  N   PHE A  30      -8.664   3.689  -4.138  1.00 42.11           N
ATOM    135  CA  PHE A  30      -7.529   4.563  -3.820  1.00 14.11           C
ATOM    136  C   PHE A  30      -7.339   5.693  -4.865  1.00 32.43           C
ATOM    137  O   PHE A  30      -7.082   6.842  -4.486  1.00 44.40           O
ATOM    138  CB  PHE A  30      -6.217   3.738  -3.691  1.00 74.23           C
ATOM    139  CG  PHE A  30      -4.985   4.621  -3.596  1.00 33.22           C
ATOM    140  CD1 PHE A  30      -4.735   5.366  -2.447  1.00 52.43           C
ATOM    141  CD2 PHE A  30      -4.115   4.754  -4.678  1.00 23.40           C
ATOM    142  CE1 PHE A  30      -3.660   6.212  -2.380  1.00 33.40           C
ATOM    143  CE2 PHE A  30      -3.037   5.596  -4.600  1.00 12.11           C
ATOM    144  CZ  PHE A  30      -2.815   6.324  -3.452  1.00 21.23           C
ATOM      0  H   PHE A  30      -8.403   2.713  -4.281  1.00 42.11           H   new
ATOM      0  HA  PHE A  30      -7.757   5.034  -2.864  1.00 14.11           H   new
ATOM      0  HB2 PHE A  30      -6.275   3.104  -2.806  1.00 74.23           H   new
ATOM      0  HB3 PHE A  30      -6.121   3.076  -4.552  1.00 74.23           H   new
ATOM      0  HD1 PHE A  30      -5.397   5.276  -1.598  1.00 52.43           H   new
ATOM      0  HD2 PHE A  30      -4.292   4.190  -5.582  1.00 23.40           H   new
ATOM      0  HE1 PHE A  30      -3.479   6.789  -1.485  1.00 33.40           H   new
ATOM      0  HE2 PHE A  30      -2.362   5.689  -5.438  1.00 12.11           H   new
ATOM      0  HZ  PHE A  30      -1.966   6.990  -3.397  1.00 21.23           H   new
ATOM    154  N   ASP A  31      -7.446   5.351  -6.165  1.00 24.40           N
ATOM    155  CA  ASP A  31      -7.114   6.287  -7.276  1.00 44.23           C
ATOM    156  C   ASP A  31      -7.863   7.631  -7.195  1.00  2.31           C
ATOM    157  O   ASP A  31      -7.331   8.662  -7.625  1.00 31.24           O
ATOM    158  CB  ASP A  31      -7.321   5.620  -8.660  1.00 30.22           C
ATOM    159  CG  ASP A  31      -6.327   4.473  -8.936  1.00  2.24           C
ATOM    160  OD1 ASP A  31      -5.199   4.490  -8.380  1.00 70.14           O
ATOM    161  OD2 ASP A  31      -6.657   3.553  -9.717  1.00  2.21           O
ATOM      0  H   ASP A  31      -7.760   4.433  -6.479  1.00 24.40           H   new
ATOM      0  HA  ASP A  31      -6.056   6.521  -7.157  1.00 44.23           H   new
ATOM      0  HB2 ASP A  31      -8.338   5.233  -8.721  1.00 30.22           H   new
ATOM      0  HB3 ASP A  31      -7.220   6.375  -9.439  1.00 30.22           H   new
ATOM    166  N   LYS A  32      -9.053   7.602  -6.570  1.00 75.33           N
ATOM    167  CA  LYS A  32      -9.902   8.795  -6.323  1.00 54.40           C
ATOM    168  C   LYS A  32      -9.119   9.931  -5.618  1.00 12.33           C
ATOM    169  O   LYS A  32      -9.337  11.118  -5.891  1.00 34.31           O
ATOM    170  CB  LYS A  32     -11.112   8.394  -5.436  1.00 23.42           C
ATOM    171  CG  LYS A  32     -11.986   7.257  -6.018  1.00 64.45           C
ATOM    172  CD  LYS A  32     -13.075   6.769  -5.030  1.00 23.12           C
ATOM    173  CE  LYS A  32     -13.878   5.569  -5.565  1.00 20.22           C
ATOM    174  NZ  LYS A  32     -14.840   5.070  -4.550  1.00 43.51           N
ATOM      0  H   LYS A  32      -9.464   6.739  -6.214  1.00 75.33           H   new
ATOM      0  HA  LYS A  32     -10.238   9.165  -7.292  1.00 54.40           H   new
ATOM      0  HB2 LYS A  32     -10.743   8.087  -4.458  1.00 23.42           H   new
ATOM      0  HB3 LYS A  32     -11.738   9.272  -5.279  1.00 23.42           H   new
ATOM      0  HG2 LYS A  32     -12.463   7.605  -6.934  1.00 64.45           H   new
ATOM      0  HG3 LYS A  32     -11.347   6.417  -6.290  1.00 64.45           H   new
ATOM      0  HD2 LYS A  32     -12.604   6.493  -4.086  1.00 23.12           H   new
ATOM      0  HD3 LYS A  32     -13.759   7.591  -4.817  1.00 23.12           H   new
ATOM      0  HE2 LYS A  32     -14.416   5.861  -6.467  1.00 20.22           H   new
ATOM      0  HE3 LYS A  32     -13.195   4.768  -5.847  1.00 20.22           H   new
ATOM      0  HZ1 LYS A  32     -15.502   4.404  -4.997  1.00 43.51           H   new
ATOM      0  HZ2 LYS A  32     -14.322   4.585  -3.789  1.00 43.51           H   new
ATOM      0  HZ3 LYS A  32     -15.371   5.871  -4.152  1.00 43.51           H   new
ATOM    188  N   VAL A  33      -8.225   9.537  -4.689  1.00 61.53           N
ATOM    189  CA  VAL A  33      -7.398  10.472  -3.892  1.00 23.21           C
ATOM    190  C   VAL A  33      -5.911  10.418  -4.305  1.00 55.53           C
ATOM    191  O   VAL A  33      -5.085  11.149  -3.733  1.00 23.02           O
ATOM    192  CB  VAL A  33      -7.532  10.165  -2.349  1.00 32.44           C
ATOM    193  CG1 VAL A  33      -9.001  10.322  -1.871  1.00 71.31           C
ATOM    194  CG2 VAL A  33      -6.981   8.756  -1.994  1.00 74.52           C
ATOM      0  H   VAL A  33      -8.054   8.556  -4.468  1.00 61.53           H   new
ATOM      0  HA  VAL A  33      -7.771  11.476  -4.092  1.00 23.21           H   new
ATOM      0  HB  VAL A  33      -6.924  10.899  -1.820  1.00 32.44           H   new
ATOM      0 HG11 VAL A  33      -9.062  10.104  -0.805  1.00 71.31           H   new
ATOM      0 HG12 VAL A  33      -9.335  11.343  -2.052  1.00 71.31           H   new
ATOM      0 HG13 VAL A  33      -9.638   9.629  -2.420  1.00 71.31           H   new
ATOM      0 HG21 VAL A  33      -7.091   8.582  -0.924  1.00 74.52           H   new
ATOM      0 HG22 VAL A  33      -7.539   7.998  -2.544  1.00 74.52           H   new
ATOM      0 HG23 VAL A  33      -5.927   8.699  -2.265  1.00 74.52           H   new
ATOM    204  N   ALA A  34      -5.578   9.588  -5.329  1.00  1.45           N
ATOM    205  CA  ALA A  34      -4.165   9.355  -5.744  1.00 73.04           C
ATOM    206  C   ALA A  34      -3.489  10.651  -6.240  1.00  4.13           C
ATOM    207  O   ALA A  34      -2.260  10.773  -6.191  1.00 50.24           O
ATOM    208  CB  ALA A  34      -4.086   8.268  -6.826  1.00 74.41           C
ATOM      0  H   ALA A  34      -6.263   9.071  -5.880  1.00  1.45           H   new
ATOM      0  HA  ALA A  34      -3.624   9.015  -4.861  1.00 73.04           H   new
ATOM      0  HB1 ALA A  34      -3.046   8.115  -7.113  1.00 74.41           H   new
ATOM      0  HB2 ALA A  34      -4.495   7.336  -6.436  1.00 74.41           H   new
ATOM      0  HB3 ALA A  34      -4.661   8.580  -7.698  1.00 74.41           H   new
ATOM    214  N   SER A  35      -4.322  11.606  -6.683  1.00 55.53           N
ATOM    215  CA  SER A  35      -3.892  12.934  -7.152  1.00 74.22           C
ATOM    216  C   SER A  35      -3.115  13.715  -6.064  1.00 22.42           C
ATOM    217  O   SER A  35      -2.293  14.574  -6.384  1.00 11.04           O
ATOM    218  CB  SER A  35      -5.134  13.722  -7.606  1.00 71.14           C
ATOM    219  OG  SER A  35      -5.886  12.973  -8.552  1.00  0.00           O
ATOM      0  H   SER A  35      -5.333  11.475  -6.726  1.00 55.53           H   new
ATOM      0  HA  SER A  35      -3.205  12.802  -7.988  1.00 74.22           H   new
ATOM      0  HB2 SER A  35      -5.757  13.957  -6.743  1.00 71.14           H   new
ATOM      0  HB3 SER A  35      -4.828  14.671  -8.047  1.00 71.14           H   new
ATOM      0  HG  SER A  35      -6.672  13.489  -8.827  1.00  0.00           H   new
ATOM    225  N   GLU A  36      -3.382  13.404  -4.777  1.00 65.24           N
ATOM    226  CA  GLU A  36      -2.673  14.014  -3.637  1.00 50.31           C
ATOM    227  C   GLU A  36      -1.876  12.970  -2.855  1.00  5.43           C
ATOM    228  O   GLU A  36      -1.625  13.134  -1.658  1.00 14.35           O
ATOM    229  CB  GLU A  36      -3.675  14.777  -2.730  1.00 23.23           C
ATOM    230  CG  GLU A  36      -4.137  16.116  -3.332  1.00 13.52           C
ATOM    231  CD  GLU A  36      -2.948  17.060  -3.640  1.00 35.44           C
ATOM    232  OE1 GLU A  36      -2.332  17.584  -2.685  1.00 33.42           O
ATOM    233  OE2 GLU A  36      -2.600  17.258  -4.825  1.00 13.20           O
ATOM      0  H   GLU A  36      -4.093  12.726  -4.502  1.00 65.24           H   new
ATOM      0  HA  GLU A  36      -1.952  14.735  -4.022  1.00 50.31           H   new
ATOM      0  HB2 GLU A  36      -4.546  14.147  -2.551  1.00 23.23           H   new
ATOM      0  HB3 GLU A  36      -3.211  14.962  -1.761  1.00 23.23           H   new
ATOM      0  HG2 GLU A  36      -4.696  15.927  -4.249  1.00 13.52           H   new
ATOM      0  HG3 GLU A  36      -4.819  16.608  -2.639  1.00 13.52           H   new
ATOM    240  N   TYR A  37      -1.452  11.905  -3.546  1.00 43.24           N
ATOM    241  CA  TYR A  37      -0.536  10.894  -2.987  1.00  2.14           C
ATOM    242  C   TYR A  37       0.650  10.702  -3.940  1.00 33.11           C
ATOM    243  O   TYR A  37       0.506  10.811  -5.162  1.00 13.22           O
ATOM    244  CB  TYR A  37      -1.274   9.551  -2.718  1.00 22.32           C
ATOM    245  CG  TYR A  37      -2.112   9.543  -1.418  1.00 44.34           C
ATOM    246  CD1 TYR A  37      -3.200  10.403  -1.251  1.00 15.20           C
ATOM    247  CD2 TYR A  37      -1.805   8.682  -0.360  1.00 41.34           C
ATOM    248  CE1 TYR A  37      -3.937  10.412  -0.087  1.00  1.02           C
ATOM    249  CE2 TYR A  37      -2.547   8.687   0.803  1.00 14.11           C
ATOM    250  CZ  TYR A  37      -3.609   9.548   0.934  1.00 72.31           C
ATOM    251  OH  TYR A  37      -4.350   9.549   2.098  1.00 64.31           O
ATOM      0  H   TYR A  37      -1.732  11.717  -4.509  1.00 43.24           H   new
ATOM      0  HA  TYR A  37      -0.162  11.246  -2.026  1.00  2.14           H   new
ATOM      0  HB2 TYR A  37      -1.929   9.333  -3.562  1.00 22.32           H   new
ATOM      0  HB3 TYR A  37      -0.539   8.748  -2.669  1.00 22.32           H   new
ATOM      0  HD1 TYR A  37      -3.469  11.076  -2.052  1.00 15.20           H   new
ATOM      0  HD2 TYR A  37      -0.972   8.001  -0.455  1.00 41.34           H   new
ATOM      0  HE1 TYR A  37      -4.768  11.093   0.024  1.00  1.02           H   new
ATOM      0  HE2 TYR A  37      -2.293   8.015   1.609  1.00 14.11           H   new
ATOM      0  HH  TYR A  37      -3.989   8.880   2.716  1.00 64.31           H   new
ATOM    261  N   THR A  38       1.821  10.420  -3.360  1.00 63.22           N
ATOM    262  CA  THR A  38       3.079  10.253  -4.091  1.00 62.13           C
ATOM    263  C   THR A  38       3.526   8.795  -3.976  1.00 13.02           C
ATOM    264  O   THR A  38       3.705   8.284  -2.864  1.00 22.42           O
ATOM    265  CB  THR A  38       4.194  11.201  -3.518  1.00 62.35           C
ATOM    266  OG1 THR A  38       4.296  11.053  -2.089  1.00 71.01           O
ATOM    267  CG2 THR A  38       3.935  12.679  -3.864  1.00 31.33           C
ATOM      0  H   THR A  38       1.922  10.300  -2.352  1.00 63.22           H   new
ATOM      0  HA  THR A  38       2.920  10.516  -5.137  1.00 62.13           H   new
ATOM      0  HB  THR A  38       5.133  10.906  -3.987  1.00 62.35           H   new
ATOM      0  HG1 THR A  38       4.284  10.101  -1.857  1.00 71.01           H   new
ATOM      0 HG21 THR A  38       4.732  13.295  -3.447  1.00 31.33           H   new
ATOM      0 HG22 THR A  38       3.911  12.800  -4.947  1.00 31.33           H   new
ATOM      0 HG23 THR A  38       2.978  12.989  -3.443  1.00 31.33           H   new
ATOM    275  N   LYS A  39       3.667   8.122  -5.124  1.00  3.31           N
ATOM    276  CA  LYS A  39       4.131   6.734  -5.171  1.00 34.52           C
ATOM    277  C   LYS A  39       5.610   6.698  -4.803  1.00 51.52           C
ATOM    278  O   LYS A  39       6.452   7.192  -5.563  1.00 42.11           O
ATOM    279  CB  LYS A  39       3.913   6.138  -6.580  1.00 24.14           C
ATOM    280  CG  LYS A  39       4.085   4.610  -6.635  1.00 34.54           C
ATOM    281  CD  LYS A  39       4.013   4.053  -8.071  1.00 33.50           C
ATOM    282  CE  LYS A  39       4.020   2.528  -8.091  1.00 53.12           C
ATOM    283  NZ  LYS A  39       5.156   1.942  -7.338  1.00 62.43           N
ATOM      0  H   LYS A  39       3.464   8.522  -6.040  1.00  3.31           H   new
ATOM      0  HA  LYS A  39       3.561   6.135  -4.461  1.00 34.52           H   new
ATOM      0  HB2 LYS A  39       2.911   6.395  -6.923  1.00 24.14           H   new
ATOM      0  HB3 LYS A  39       4.616   6.600  -7.274  1.00 24.14           H   new
ATOM      0  HG2 LYS A  39       5.044   4.341  -6.193  1.00 34.54           H   new
ATOM      0  HG3 LYS A  39       3.311   4.140  -6.028  1.00 34.54           H   new
ATOM      0  HD2 LYS A  39       3.108   4.418  -8.557  1.00 33.50           H   new
ATOM      0  HD3 LYS A  39       4.858   4.427  -8.648  1.00 33.50           H   new
ATOM      0  HE2 LYS A  39       3.084   2.161  -7.670  1.00 53.12           H   new
ATOM      0  HE3 LYS A  39       4.061   2.184  -9.125  1.00 53.12           H   new
ATOM      0  HZ1 LYS A  39       5.186   0.915  -7.499  1.00 62.43           H   new
ATOM      0  HZ2 LYS A  39       6.046   2.370  -7.664  1.00 62.43           H   new
ATOM      0  HZ3 LYS A  39       5.033   2.130  -6.323  1.00 62.43           H   new
ATOM    297  N   ILE A  40       5.925   6.145  -3.628  1.00 24.50           N
ATOM    298  CA  ILE A  40       7.303   6.147  -3.113  1.00 52.42           C
ATOM    299  C   ILE A  40       8.005   4.814  -3.411  1.00 34.05           C
ATOM    300  O   ILE A  40       9.237   4.766  -3.446  1.00 74.14           O
ATOM    301  CB  ILE A  40       7.361   6.507  -1.577  1.00 52.33           C
ATOM    302  CG1 ILE A  40       6.471   5.549  -0.723  1.00 43.55           C
ATOM    303  CG2 ILE A  40       6.955   7.991  -1.352  1.00 45.32           C
ATOM    304  CD1 ILE A  40       6.517   5.802   0.778  1.00 72.25           C
ATOM      0  H   ILE A  40       5.248   5.691  -3.015  1.00 24.50           H   new
ATOM      0  HA  ILE A  40       7.846   6.933  -3.638  1.00 52.42           H   new
ATOM      0  HB  ILE A  40       8.390   6.373  -1.243  1.00 52.33           H   new
ATOM      0 HG12 ILE A  40       5.438   5.638  -1.061  1.00 43.55           H   new
ATOM      0 HG13 ILE A  40       6.781   4.522  -0.914  1.00 43.55           H   new
ATOM      0 HG21 ILE A  40       7.000   8.223  -0.288  1.00 45.32           H   new
ATOM      0 HG22 ILE A  40       7.640   8.642  -1.895  1.00 45.32           H   new
ATOM      0 HG23 ILE A  40       5.940   8.149  -1.715  1.00 45.32           H   new
ATOM      0 HD11 ILE A  40       5.868   5.089   1.287  1.00 72.25           H   new
ATOM      0 HD12 ILE A  40       7.540   5.682   1.136  1.00 72.25           H   new
ATOM      0 HD13 ILE A  40       6.176   6.816   0.987  1.00 72.25           H   new
ATOM    316  N   GLY A  41       7.219   3.744  -3.662  1.00 73.15           N
ATOM    317  CA  GLY A  41       7.782   2.429  -3.985  1.00 54.02           C
ATOM    318  C   GLY A  41       6.731   1.366  -4.245  1.00 23.51           C
ATOM    319  O   GLY A  41       5.527   1.664  -4.324  1.00 63.45           O
ATOM      0  H   GLY A  41       6.200   3.772  -3.646  1.00 73.15           H   new
ATOM      0  HA2 GLY A  41       8.419   2.522  -4.865  1.00 54.02           H   new
ATOM      0  HA3 GLY A  41       8.420   2.104  -3.163  1.00 54.02           H   new
ATOM    323  N   THR A  42       7.205   0.127  -4.436  1.00 52.14           N
ATOM    324  CA  THR A  42       6.370  -1.080  -4.485  1.00 23.30           C
ATOM    325  C   THR A  42       6.974  -2.122  -3.536  1.00 71.24           C
ATOM    326  O   THR A  42       8.196  -2.325  -3.535  1.00 41.13           O
ATOM    327  CB  THR A  42       6.296  -1.697  -5.927  1.00 21.40           C
ATOM    328  OG1 THR A  42       6.013  -0.667  -6.886  1.00 40.15           O
ATOM    329  CG2 THR A  42       5.208  -2.794  -6.021  1.00 43.11           C
ATOM      0  H   THR A  42       8.198  -0.067  -4.563  1.00 52.14           H   new
ATOM      0  HA  THR A  42       5.358  -0.803  -4.191  1.00 23.30           H   new
ATOM      0  HB  THR A  42       7.263  -2.152  -6.142  1.00 21.40           H   new
ATOM      0  HG1 THR A  42       5.970  -1.058  -7.783  1.00 40.15           H   new
ATOM      0 HG21 THR A  42       5.185  -3.198  -7.033  1.00 43.11           H   new
ATOM      0 HG22 THR A  42       5.435  -3.593  -5.316  1.00 43.11           H   new
ATOM      0 HG23 THR A  42       4.236  -2.364  -5.780  1.00 43.11           H   new
ATOM    337  N   ILE A  43       6.125  -2.769  -2.724  1.00 33.03           N
ATOM    338  CA  ILE A  43       6.529  -3.893  -1.856  1.00 23.52           C
ATOM    339  C   ILE A  43       5.741  -5.150  -2.262  1.00 14.23           C
ATOM    340  O   ILE A  43       4.691  -5.047  -2.919  1.00 53.23           O
ATOM    341  CB  ILE A  43       6.310  -3.566  -0.330  1.00 31.44           C
ATOM    342  CG1 ILE A  43       4.816  -3.210  -0.051  1.00 71.13           C
ATOM    343  CG2 ILE A  43       7.260  -2.425   0.142  1.00 34.03           C
ATOM    344  CD1 ILE A  43       4.506  -2.878   1.391  1.00 24.14           C
ATOM      0  H   ILE A  43       5.136  -2.530  -2.648  1.00 33.03           H   new
ATOM      0  HA  ILE A  43       7.596  -4.068  -1.990  1.00 23.52           H   new
ATOM      0  HB  ILE A  43       6.557  -4.458   0.246  1.00 31.44           H   new
ATOM      0 HG12 ILE A  43       4.536  -2.360  -0.674  1.00 71.13           H   new
ATOM      0 HG13 ILE A  43       4.193  -4.050  -0.359  1.00 71.13           H   new
ATOM      0 HG21 ILE A  43       7.087  -2.221   1.199  1.00 34.03           H   new
ATOM      0 HG22 ILE A  43       8.296  -2.731  -0.003  1.00 34.03           H   new
ATOM      0 HG23 ILE A  43       7.063  -1.524  -0.439  1.00 34.03           H   new
ATOM      0 HD11 ILE A  43       3.446  -2.644   1.491  1.00 24.14           H   new
ATOM      0 HD12 ILE A  43       4.750  -3.733   2.022  1.00 24.14           H   new
ATOM      0 HD13 ILE A  43       5.099  -2.018   1.702  1.00 24.14           H   new
ATOM    356  N   SER A  44       6.258  -6.331  -1.890  1.00 30.23           N
ATOM    357  CA  SER A  44       5.646  -7.613  -2.268  1.00 45.23           C
ATOM    358  C   SER A  44       6.057  -8.735  -1.310  1.00 31.15           C
ATOM    359  O   SER A  44       7.209  -8.799  -0.863  1.00 22.15           O
ATOM    360  CB  SER A  44       6.028  -7.993  -3.716  1.00 44.21           C
ATOM    361  OG  SER A  44       5.405  -9.204  -4.139  1.00 74.41           O
ATOM      0  H   SER A  44       7.102  -6.424  -1.325  1.00 30.23           H   new
ATOM      0  HA  SER A  44       4.565  -7.489  -2.205  1.00 45.23           H   new
ATOM      0  HB2 SER A  44       5.741  -7.185  -4.389  1.00 44.21           H   new
ATOM      0  HB3 SER A  44       7.110  -8.099  -3.788  1.00 44.21           H   new
ATOM      0  HG  SER A  44       4.497  -9.250  -3.773  1.00 74.41           H   new
ATOM    367  N   THR A  45       5.098  -9.624  -1.013  1.00 72.33           N
ATOM    368  CA  THR A  45       5.340 -10.848  -0.245  1.00 12.31           C
ATOM    369  C   THR A  45       6.113 -11.867  -1.113  1.00  4.31           C
ATOM    370  O   THR A  45       5.996 -11.837  -2.350  1.00 22.11           O
ATOM    371  CB  THR A  45       3.981 -11.460   0.235  1.00 71.01           C
ATOM    372  OG1 THR A  45       3.120 -11.709  -0.895  1.00  4.32           O
ATOM    373  CG2 THR A  45       3.249 -10.527   1.224  1.00 64.41           C
ATOM      0  H   THR A  45       4.127  -9.510  -1.302  1.00 72.33           H   new
ATOM      0  HA  THR A  45       5.940 -10.606   0.632  1.00 12.31           H   new
ATOM      0  HB  THR A  45       4.212 -12.395   0.746  1.00 71.01           H   new
ATOM      0  HG1 THR A  45       2.274 -12.093  -0.583  1.00  4.32           H   new
ATOM      0 HG21 THR A  45       2.311 -10.988   1.533  1.00 64.41           H   new
ATOM      0 HG22 THR A  45       3.877 -10.360   2.099  1.00 64.41           H   new
ATOM      0 HG23 THR A  45       3.042  -9.573   0.739  1.00 64.41           H   new
ATOM    381  N   THR A  46       6.909 -12.749  -0.475  1.00 74.14           N
ATOM    382  CA  THR A  46       7.663 -13.792  -1.187  1.00 73.21           C
ATOM    383  C   THR A  46       6.693 -14.908  -1.631  1.00  1.14           C
ATOM    384  O   THR A  46       6.504 -15.917  -0.936  1.00 72.40           O
ATOM    385  CB  THR A  46       8.828 -14.359  -0.310  1.00 32.25           C
ATOM    386  OG1 THR A  46       9.627 -13.266   0.177  1.00 13.33           O
ATOM    387  CG2 THR A  46       9.726 -15.346  -1.093  1.00 15.22           C
ATOM      0  H   THR A  46       7.044 -12.756   0.536  1.00 74.14           H   new
ATOM      0  HA  THR A  46       8.126 -13.353  -2.071  1.00 73.21           H   new
ATOM      0  HB  THR A  46       8.383 -14.910   0.519  1.00 32.25           H   new
ATOM      0  HG1 THR A  46      10.358 -13.615   0.729  1.00 13.33           H   new
ATOM      0 HG21 THR A  46      10.519 -15.712  -0.441  1.00 15.22           H   new
ATOM      0 HG22 THR A  46       9.126 -16.187  -1.441  1.00 15.22           H   new
ATOM      0 HG23 THR A  46      10.166 -14.836  -1.950  1.00 15.22           H   new
ATOM    395  N   GLY A  47       6.017 -14.647  -2.764  1.00 41.11           N
ATOM    396  CA  GLY A  47       5.078 -15.585  -3.354  1.00 25.01           C
ATOM    397  C   GLY A  47       3.795 -15.750  -2.547  1.00 32.32           C
ATOM    398  O   GLY A  47       3.032 -14.790  -2.380  1.00 64.34           O
ATOM      0  H   GLY A  47       6.115 -13.777  -3.287  1.00 41.11           H   new
ATOM      0  HA2 GLY A  47       4.825 -15.249  -4.360  1.00 25.01           H   new
ATOM      0  HA3 GLY A  47       5.562 -16.556  -3.455  1.00 25.01           H   new
ATOM    402  N   GLU A  48       3.582 -16.965  -2.022  1.00 15.22           N
ATOM    403  CA  GLU A  48       2.334 -17.359  -1.358  1.00 71.01           C
ATOM    404  C   GLU A  48       2.389 -17.088   0.160  1.00 43.31           C
ATOM    405  O   GLU A  48       3.465 -17.168   0.773  1.00 74.24           O
ATOM    406  CB  GLU A  48       2.063 -18.865  -1.613  1.00 23.42           C
ATOM    407  CG  GLU A  48       3.113 -19.830  -1.004  1.00 13.14           C
ATOM    408  CD  GLU A  48       2.755 -21.316  -1.180  1.00 21.42           C
ATOM    409  OE1 GLU A  48       1.810 -21.786  -0.503  1.00 23.33           O
ATOM    410  OE2 GLU A  48       3.403 -22.019  -1.986  1.00 53.41           O
ATOM      0  H   GLU A  48       4.280 -17.709  -2.047  1.00 15.22           H   new
ATOM      0  HA  GLU A  48       1.525 -16.760  -1.775  1.00 71.01           H   new
ATOM      0  HB2 GLU A  48       1.082 -19.116  -1.209  1.00 23.42           H   new
ATOM      0  HB3 GLU A  48       2.017 -19.034  -2.689  1.00 23.42           H   new
ATOM      0  HG2 GLU A  48       4.081 -19.640  -1.467  1.00 13.14           H   new
ATOM      0  HG3 GLU A  48       3.220 -19.614   0.059  1.00 13.14           H   new
ATOM    417  N   MET A  49       1.211 -16.759   0.730  1.00  5.22           N
ATOM    418  CA  MET A  49       0.958 -16.697   2.189  1.00 71.34           C
ATOM    419  C   MET A  49      -0.537 -16.417   2.444  1.00 74.14           C
ATOM    420  O   MET A  49      -1.297 -16.144   1.499  1.00 41.15           O
ATOM    421  CB  MET A  49       1.837 -15.639   2.924  1.00 50.04           C
ATOM    422  CG  MET A  49       1.617 -14.181   2.512  1.00  0.13           C
ATOM    423  SD  MET A  49       2.398 -13.018   3.662  1.00 21.04           S
ATOM    424  CE  MET A  49       4.114 -13.538   3.628  1.00 65.10           C
ATOM      0  H   MET A  49       0.387 -16.523   0.177  1.00  5.22           H   new
ATOM      0  HA  MET A  49       1.237 -17.667   2.601  1.00 71.34           H   new
ATOM      0  HB2 MET A  49       1.654 -15.725   3.995  1.00 50.04           H   new
ATOM      0  HB3 MET A  49       2.885 -15.888   2.759  1.00 50.04           H   new
ATOM      0  HG2 MET A  49       2.018 -14.024   1.511  1.00  0.13           H   new
ATOM      0  HG3 MET A  49       0.547 -13.977   2.462  1.00  0.13           H   new
ATOM      0  HE1 MET A  49       4.747 -12.726   3.986  1.00 65.10           H   new
ATOM      0  HE2 MET A  49       4.243 -14.409   4.270  1.00 65.10           H   new
ATOM      0  HE3 MET A  49       4.396 -13.795   2.607  1.00 65.10           H   new
ATOM    434  N   SER A  50      -0.949 -16.496   3.722  1.00  4.24           N
ATOM    435  CA  SER A  50      -2.318 -16.172   4.153  1.00 32.43           C
ATOM    436  C   SER A  50      -2.554 -14.644   4.010  1.00 72.02           C
ATOM    437  O   SER A  50      -1.751 -13.859   4.527  1.00 15.41           O
ATOM    438  CB  SER A  50      -2.529 -16.657   5.609  1.00  1.32           C
ATOM    439  OG  SER A  50      -1.476 -16.223   6.454  1.00 15.24           O
ATOM      0  H   SER A  50      -0.339 -16.787   4.486  1.00  4.24           H   new
ATOM      0  HA  SER A  50      -3.046 -16.683   3.524  1.00 32.43           H   new
ATOM      0  HB2 SER A  50      -3.480 -16.280   5.986  1.00  1.32           H   new
ATOM      0  HB3 SER A  50      -2.588 -17.745   5.627  1.00  1.32           H   new
ATOM      0  HG  SER A  50      -1.843 -15.674   7.178  1.00 15.24           H   new
ATOM    445  N   PRO A  51      -3.664 -14.208   3.315  1.00  5.23           N
ATOM    446  CA  PRO A  51      -3.886 -12.788   2.895  1.00 45.02           C
ATOM    447  C   PRO A  51      -3.951 -11.784   4.064  1.00 74.10           C
ATOM    448  O   PRO A  51      -3.648 -10.610   3.878  1.00 13.30           O
ATOM    449  CB  PRO A  51      -5.240 -12.847   2.130  1.00 22.54           C
ATOM    450  CG  PRO A  51      -5.909 -14.063   2.676  1.00 74.24           C
ATOM    451  CD  PRO A  51      -4.804 -15.064   2.884  1.00 60.31           C
ATOM      0  HA  PRO A  51      -3.051 -12.422   2.297  1.00 45.02           H   new
ATOM      0  HB2 PRO A  51      -5.836 -11.951   2.304  1.00 22.54           H   new
ATOM      0  HB3 PRO A  51      -5.087 -12.924   1.054  1.00 22.54           H   new
ATOM      0  HG2 PRO A  51      -6.422 -13.843   3.612  1.00 74.24           H   new
ATOM      0  HG3 PRO A  51      -6.660 -14.444   1.983  1.00 74.24           H   new
ATOM      0  HD2 PRO A  51      -5.064 -15.803   3.642  1.00 60.31           H   new
ATOM      0  HD3 PRO A  51      -4.576 -15.612   1.969  1.00 60.31           H   new
ATOM    459  N   LEU A  52      -4.340 -12.246   5.265  1.00  4.22           N
ATOM    460  CA  LEU A  52      -4.423 -11.369   6.453  1.00 15.54           C
ATOM    461  C   LEU A  52      -3.009 -11.017   6.936  1.00 74.51           C
ATOM    462  O   LEU A  52      -2.695  -9.843   7.123  1.00 54.04           O
ATOM    463  CB  LEU A  52      -5.258 -12.006   7.605  1.00 63.22           C
ATOM    464  CG  LEU A  52      -6.789 -12.216   7.339  1.00 53.12           C
ATOM    465  CD1 LEU A  52      -7.465 -10.929   6.814  1.00 63.12           C
ATOM    466  CD2 LEU A  52      -7.053 -13.414   6.409  1.00 31.43           C
ATOM      0  H   LEU A  52      -4.601 -13.216   5.442  1.00  4.22           H   new
ATOM      0  HA  LEU A  52      -4.944 -10.458   6.158  1.00 15.54           H   new
ATOM      0  HB2 LEU A  52      -4.820 -12.974   7.846  1.00 63.22           H   new
ATOM      0  HB3 LEU A  52      -5.150 -11.378   8.489  1.00 63.22           H   new
ATOM      0  HG  LEU A  52      -7.246 -12.450   8.301  1.00 53.12           H   new
ATOM      0 HD11 LEU A  52      -8.525 -11.118   6.643  1.00 63.12           H   new
ATOM      0 HD12 LEU A  52      -7.353 -10.133   7.550  1.00 63.12           H   new
ATOM      0 HD13 LEU A  52      -6.995 -10.627   5.878  1.00 63.12           H   new
ATOM      0 HD21 LEU A  52      -8.126 -13.523   6.252  1.00 31.43           H   new
ATOM      0 HD22 LEU A  52      -6.561 -13.246   5.451  1.00 31.43           H   new
ATOM      0 HD23 LEU A  52      -6.659 -14.322   6.865  1.00 31.43           H   new
ATOM    478  N   ASP A  53      -2.154 -12.044   7.080  1.00  4.44           N
ATOM    479  CA  ASP A  53      -0.734 -11.858   7.444  1.00 42.22           C
ATOM    480  C   ASP A  53       0.008 -11.088   6.349  1.00 63.42           C
ATOM    481  O   ASP A  53       0.913 -10.327   6.651  1.00 74.32           O
ATOM    482  CB  ASP A  53      -0.043 -13.218   7.689  1.00 23.34           C
ATOM    483  CG  ASP A  53      -0.606 -13.961   8.905  1.00 44.12           C
ATOM    484  OD1 ASP A  53      -1.749 -14.463   8.819  1.00 13.04           O
ATOM    485  OD2 ASP A  53       0.088 -14.044   9.946  1.00 15.23           O
ATOM      0  H   ASP A  53      -2.422 -13.019   6.949  1.00  4.44           H   new
ATOM      0  HA  ASP A  53      -0.701 -11.280   8.367  1.00 42.22           H   new
ATOM      0  HB2 ASP A  53      -0.157 -13.843   6.803  1.00 23.34           H   new
ATOM      0  HB3 ASP A  53       1.026 -13.057   7.830  1.00 23.34           H   new
ATOM    490  N   ALA A  54      -0.392 -11.316   5.081  1.00 22.13           N
ATOM    491  CA  ALA A  54       0.129 -10.571   3.920  1.00 14.03           C
ATOM    492  C   ALA A  54      -0.172  -9.075   4.064  1.00 75.05           C
ATOM    493  O   ALA A  54       0.713  -8.247   3.917  1.00 12.44           O
ATOM    494  CB  ALA A  54      -0.469 -11.119   2.610  1.00 15.05           C
ATOM      0  H   ALA A  54      -1.086 -12.022   4.835  1.00 22.13           H   new
ATOM      0  HA  ALA A  54       1.210 -10.704   3.884  1.00 14.03           H   new
ATOM      0  HB1 ALA A  54      -0.072 -10.556   1.765  1.00 15.05           H   new
ATOM      0  HB2 ALA A  54      -0.205 -12.171   2.501  1.00 15.05           H   new
ATOM      0  HB3 ALA A  54      -1.554 -11.018   2.635  1.00 15.05           H   new
ATOM    500  N   ARG A  55      -1.430  -8.759   4.405  1.00 32.34           N
ATOM    501  CA  ARG A  55      -1.894  -7.374   4.589  1.00  2.32           C
ATOM    502  C   ARG A  55      -1.166  -6.688   5.755  1.00 63.13           C
ATOM    503  O   ARG A  55      -0.783  -5.531   5.640  1.00 73.22           O
ATOM    504  CB  ARG A  55      -3.427  -7.342   4.821  1.00 42.42           C
ATOM    505  CG  ARG A  55      -4.275  -7.573   3.550  1.00 13.23           C
ATOM    506  CD  ARG A  55      -5.783  -7.547   3.839  1.00 33.22           C
ATOM    507  NE  ARG A  55      -6.201  -6.285   4.489  1.00 22.54           N
ATOM    508  CZ  ARG A  55      -7.454  -5.826   4.572  1.00  0.11           C
ATOM    509  NH1 ARG A  55      -8.461  -6.496   4.050  1.00 42.13           N
ATOM    510  NH2 ARG A  55      -7.691  -4.689   5.202  1.00 22.41           N
ATOM      0  H   ARG A  55      -2.157  -9.458   4.562  1.00 32.34           H   new
ATOM      0  HA  ARG A  55      -1.662  -6.823   3.678  1.00  2.32           H   new
ATOM      0  HB2 ARG A  55      -3.686  -8.103   5.558  1.00 42.42           H   new
ATOM      0  HB3 ARG A  55      -3.696  -6.377   5.251  1.00 42.42           H   new
ATOM      0  HG2 ARG A  55      -4.036  -6.806   2.813  1.00 13.23           H   new
ATOM      0  HG3 ARG A  55      -4.009  -8.534   3.109  1.00 13.23           H   new
ATOM      0  HD2 ARG A  55      -6.333  -7.674   2.907  1.00 33.22           H   new
ATOM      0  HD3 ARG A  55      -6.044  -8.389   4.480  1.00 33.22           H   new
ATOM      0  HE  ARG A  55      -5.468  -5.715   4.911  1.00 22.54           H   new
ATOM      0 HH11 ARG A  55      -8.292  -7.381   3.572  1.00 42.13           H   new
ATOM      0 HH12 ARG A  55      -9.410  -6.130   4.124  1.00 42.13           H   new
ATOM      0 HH21 ARG A  55      -6.921  -4.168   5.621  1.00 22.41           H   new
ATOM      0 HH22 ARG A  55      -8.644  -4.332   5.269  1.00 22.41           H   new
ATOM    524  N   GLU A  56      -0.972  -7.427   6.860  1.00 65.44           N
ATOM    525  CA  GLU A  56      -0.274  -6.925   8.063  1.00 21.22           C
ATOM    526  C   GLU A  56       1.224  -6.718   7.776  1.00 71.30           C
ATOM    527  O   GLU A  56       1.840  -5.778   8.281  1.00 35.01           O
ATOM    528  CB  GLU A  56      -0.461  -7.929   9.229  1.00 71.23           C
ATOM    529  CG  GLU A  56      -1.918  -8.095   9.691  1.00 70.00           C
ATOM    530  CD  GLU A  56      -2.094  -9.199  10.748  1.00 72.31           C
ATOM    531  OE1 GLU A  56      -1.824  -8.948  11.944  1.00 73.10           O
ATOM    532  OE2 GLU A  56      -2.482 -10.331  10.383  1.00 10.12           O
ATOM      0  H   GLU A  56      -1.294  -8.391   6.948  1.00 65.44           H   new
ATOM      0  HA  GLU A  56      -0.703  -5.963   8.343  1.00 21.22           H   new
ATOM      0  HB2 GLU A  56      -0.076  -8.901   8.921  1.00 71.23           H   new
ATOM      0  HB3 GLU A  56       0.142  -7.601  10.076  1.00 71.23           H   new
ATOM      0  HG2 GLU A  56      -2.273  -7.149  10.100  1.00 70.00           H   new
ATOM      0  HG3 GLU A  56      -2.543  -8.324   8.828  1.00 70.00           H   new
ATOM    539  N   ASP A  57       1.784  -7.613   6.945  1.00  1.52           N
ATOM    540  CA  ASP A  57       3.199  -7.582   6.531  1.00 22.31           C
ATOM    541  C   ASP A  57       3.472  -6.329   5.695  1.00 12.34           C
ATOM    542  O   ASP A  57       4.405  -5.559   5.967  1.00 24.51           O
ATOM    543  CB  ASP A  57       3.515  -8.858   5.709  1.00 33.21           C
ATOM    544  CG  ASP A  57       4.963  -8.938   5.213  1.00 74.42           C
ATOM    545  OD1 ASP A  57       5.866  -9.196   6.043  1.00 53.24           O
ATOM    546  OD2 ASP A  57       5.218  -8.749   3.999  1.00 64.44           O
ATOM      0  H   ASP A  57       1.262  -8.388   6.536  1.00  1.52           H   new
ATOM      0  HA  ASP A  57       3.839  -7.554   7.413  1.00 22.31           H   new
ATOM      0  HB2 ASP A  57       3.303  -9.734   6.322  1.00 33.21           H   new
ATOM      0  HB3 ASP A  57       2.845  -8.900   4.850  1.00 33.21           H   new
ATOM    551  N   LEU A  58       2.599  -6.133   4.697  1.00 50.14           N
ATOM    552  CA  LEU A  58       2.676  -5.018   3.758  1.00 45.40           C
ATOM    553  C   LEU A  58       2.419  -3.674   4.478  1.00 31.33           C
ATOM    554  O   LEU A  58       3.119  -2.700   4.220  1.00  4.33           O
ATOM    555  CB  LEU A  58       1.690  -5.240   2.579  1.00  0.24           C
ATOM    556  CG  LEU A  58       1.955  -6.512   1.691  1.00 32.42           C
ATOM    557  CD1 LEU A  58       0.855  -6.699   0.624  1.00 43.40           C
ATOM    558  CD2 LEU A  58       3.361  -6.488   1.038  1.00 75.13           C
ATOM      0  H   LEU A  58       1.811  -6.756   4.522  1.00 50.14           H   new
ATOM      0  HA  LEU A  58       3.684  -4.974   3.345  1.00 45.40           H   new
ATOM      0  HB2 LEU A  58       0.680  -5.307   2.983  1.00  0.24           H   new
ATOM      0  HB3 LEU A  58       1.718  -4.360   1.936  1.00  0.24           H   new
ATOM      0  HG  LEU A  58       1.923  -7.371   2.361  1.00 32.42           H   new
ATOM      0 HD11 LEU A  58       1.071  -7.587   0.030  1.00 43.40           H   new
ATOM      0 HD12 LEU A  58      -0.111  -6.817   1.114  1.00 43.40           H   new
ATOM      0 HD13 LEU A  58       0.827  -5.825  -0.027  1.00 43.40           H   new
ATOM      0 HD21 LEU A  58       3.498  -7.386   0.435  1.00 75.13           H   new
ATOM      0 HD22 LEU A  58       3.452  -5.607   0.403  1.00 75.13           H   new
ATOM      0 HD23 LEU A  58       4.123  -6.454   1.816  1.00 75.13           H   new
ATOM    570  N   ILE A  59       1.433  -3.644   5.406  1.00 61.01           N
ATOM    571  CA  ILE A  59       1.171  -2.457   6.262  1.00 71.11           C
ATOM    572  C   ILE A  59       2.417  -2.101   7.082  1.00 12.32           C
ATOM    573  O   ILE A  59       2.839  -0.944   7.094  1.00  3.41           O
ATOM    574  CB  ILE A  59      -0.067  -2.663   7.240  1.00 61.43           C
ATOM    575  CG1 ILE A  59      -1.411  -2.552   6.458  1.00 30.35           C
ATOM    576  CG2 ILE A  59      -0.054  -1.675   8.449  1.00 45.41           C
ATOM    577  CD1 ILE A  59      -2.659  -2.708   7.314  1.00 73.14           C
ATOM      0  H   ILE A  59       0.804  -4.428   5.583  1.00 61.01           H   new
ATOM      0  HA  ILE A  59       0.923  -1.638   5.587  1.00 71.11           H   new
ATOM      0  HB  ILE A  59       0.024  -3.668   7.652  1.00 61.43           H   new
ATOM      0 HG12 ILE A  59      -1.447  -1.583   5.960  1.00 30.35           H   new
ATOM      0 HG13 ILE A  59      -1.425  -3.312   5.677  1.00 30.35           H   new
ATOM      0 HG21 ILE A  59      -0.922  -1.862   9.081  1.00 45.41           H   new
ATOM      0 HG22 ILE A  59       0.857  -1.822   9.030  1.00 45.41           H   new
ATOM      0 HG23 ILE A  59      -0.088  -0.649   8.081  1.00 45.41           H   new
ATOM      0 HD11 ILE A  59      -3.545  -2.616   6.686  1.00 73.14           H   new
ATOM      0 HD12 ILE A  59      -2.653  -3.688   7.791  1.00 73.14           H   new
ATOM      0 HD13 ILE A  59      -2.675  -1.932   8.079  1.00 73.14           H   new
ATOM    589  N   LYS A  60       2.995  -3.121   7.743  1.00 11.44           N
ATOM    590  CA  LYS A  60       4.108  -2.932   8.688  1.00 53.43           C
ATOM    591  C   LYS A  60       5.332  -2.338   7.962  1.00 30.41           C
ATOM    592  O   LYS A  60       5.854  -1.292   8.360  1.00 61.31           O
ATOM    593  CB  LYS A  60       4.480  -4.287   9.379  1.00 42.35           C
ATOM    594  CG  LYS A  60       5.229  -4.150  10.743  1.00  1.53           C
ATOM    595  CD  LYS A  60       6.585  -4.902  10.824  1.00 41.53           C
ATOM    596  CE  LYS A  60       7.651  -4.322   9.876  1.00  1.33           C
ATOM    597  NZ  LYS A  60       8.989  -4.891  10.123  1.00  5.32           N
ATOM      0  H   LYS A  60       2.705  -4.093   7.637  1.00 11.44           H   new
ATOM      0  HA  LYS A  60       3.791  -2.232   9.461  1.00 53.43           H   new
ATOM      0  HB2 LYS A  60       3.566  -4.858   9.540  1.00 42.35           H   new
ATOM      0  HB3 LYS A  60       5.102  -4.866   8.697  1.00 42.35           H   new
ATOM      0  HG2 LYS A  60       5.405  -3.092  10.940  1.00  1.53           H   new
ATOM      0  HG3 LYS A  60       4.578  -4.518  11.536  1.00  1.53           H   new
ATOM      0  HD2 LYS A  60       6.956  -4.861  11.848  1.00 41.53           H   new
ATOM      0  HD3 LYS A  60       6.426  -5.953  10.584  1.00 41.53           H   new
ATOM      0  HE2 LYS A  60       7.361  -4.517   8.844  1.00  1.33           H   new
ATOM      0  HE3 LYS A  60       7.691  -3.239   9.997  1.00  1.33           H   new
ATOM      0  HZ1 LYS A  60       9.673  -4.471   9.461  1.00  5.32           H   new
ATOM      0  HZ2 LYS A  60       9.280  -4.683  11.100  1.00  5.32           H   new
ATOM      0  HZ3 LYS A  60       8.960  -5.921   9.982  1.00  5.32           H   new
ATOM    611  N   LYS A  61       5.743  -3.012   6.870  1.00 61.45           N
ATOM    612  CA  LYS A  61       6.908  -2.608   6.052  1.00 61.14           C
ATOM    613  C   LYS A  61       6.691  -1.227   5.405  1.00 32.21           C
ATOM    614  O   LYS A  61       7.592  -0.382   5.423  1.00  5.05           O
ATOM    615  CB  LYS A  61       7.196  -3.687   4.975  1.00  3.31           C
ATOM    616  CG  LYS A  61       7.734  -5.019   5.551  1.00 64.20           C
ATOM    617  CD  LYS A  61       7.778  -6.155   4.504  1.00 52.20           C
ATOM    618  CE  LYS A  61       8.427  -7.440   5.054  1.00  3.35           C
ATOM    619  NZ  LYS A  61       8.236  -8.596   4.147  1.00 51.01           N
ATOM      0  H   LYS A  61       5.277  -3.853   6.528  1.00 61.45           H   new
ATOM      0  HA  LYS A  61       7.775  -2.524   6.707  1.00 61.14           H   new
ATOM      0  HB2 LYS A  61       6.279  -3.886   4.420  1.00  3.31           H   new
ATOM      0  HB3 LYS A  61       7.920  -3.291   4.263  1.00  3.31           H   new
ATOM      0  HG2 LYS A  61       8.737  -4.859   5.947  1.00 64.20           H   new
ATOM      0  HG3 LYS A  61       7.106  -5.327   6.387  1.00 64.20           H   new
ATOM      0  HD2 LYS A  61       6.764  -6.378   4.171  1.00 52.20           H   new
ATOM      0  HD3 LYS A  61       8.333  -5.817   3.629  1.00 52.20           H   new
ATOM      0  HE2 LYS A  61       9.493  -7.271   5.204  1.00  3.35           H   new
ATOM      0  HE3 LYS A  61       8.000  -7.672   6.030  1.00  3.35           H   new
ATOM      0  HZ1 LYS A  61       8.629  -9.452   4.588  1.00 51.01           H   new
ATOM      0  HZ2 LYS A  61       7.221  -8.733   3.969  1.00 51.01           H   new
ATOM      0  HZ3 LYS A  61       8.724  -8.415   3.247  1.00 51.01           H   new
ATOM    633  N   ALA A  62       5.479  -1.001   4.859  1.00 42.14           N
ATOM    634  CA  ALA A  62       5.116   0.294   4.257  1.00 33.34           C
ATOM    635  C   ALA A  62       5.109   1.416   5.300  1.00 50.01           C
ATOM    636  O   ALA A  62       5.448   2.548   4.987  1.00 75.43           O
ATOM    637  CB  ALA A  62       3.751   0.218   3.581  1.00 53.42           C
ATOM      0  H   ALA A  62       4.737  -1.700   4.824  1.00 42.14           H   new
ATOM      0  HA  ALA A  62       5.874   0.522   3.507  1.00 33.34           H   new
ATOM      0  HB1 ALA A  62       3.507   1.187   3.145  1.00 53.42           H   new
ATOM      0  HB2 ALA A  62       3.775  -0.538   2.796  1.00 53.42           H   new
ATOM      0  HB3 ALA A  62       2.994  -0.049   4.318  1.00 53.42           H   new
ATOM    643  N   ASP A  63       4.732   1.080   6.547  1.00 63.24           N
ATOM    644  CA  ASP A  63       4.699   2.056   7.648  1.00  1.41           C
ATOM    645  C   ASP A  63       6.133   2.456   8.024  1.00 61.32           C
ATOM    646  O   ASP A  63       6.405   3.632   8.272  1.00 13.42           O
ATOM    647  CB  ASP A  63       3.937   1.503   8.879  1.00 54.12           C
ATOM    648  CG  ASP A  63       3.615   2.600   9.909  1.00 33.04           C
ATOM    649  OD1 ASP A  63       2.642   3.356   9.691  1.00 20.02           O
ATOM    650  OD2 ASP A  63       4.328   2.721  10.935  1.00 72.14           O
ATOM      0  H   ASP A  63       4.446   0.139   6.816  1.00 63.24           H   new
ATOM      0  HA  ASP A  63       4.158   2.940   7.309  1.00  1.41           H   new
ATOM      0  HB2 ASP A  63       3.010   1.034   8.549  1.00 54.12           H   new
ATOM      0  HB3 ASP A  63       4.535   0.726   9.355  1.00 54.12           H   new
ATOM    655  N   GLU A  64       7.044   1.456   8.022  1.00  4.44           N
ATOM    656  CA  GLU A  64       8.502   1.681   8.174  1.00 52.12           C
ATOM    657  C   GLU A  64       9.021   2.631   7.067  1.00 73.14           C
ATOM    658  O   GLU A  64       9.856   3.507   7.322  1.00  2.45           O
ATOM    659  CB  GLU A  64       9.269   0.328   8.108  1.00  4.30           C
ATOM    660  CG  GLU A  64       8.857  -0.719   9.166  1.00 65.11           C
ATOM    661  CD  GLU A  64       9.324  -0.390  10.595  1.00 32.44           C
ATOM    662  OE1 GLU A  64       8.686   0.446  11.273  1.00 22.23           O
ATOM    663  OE2 GLU A  64      10.329  -0.981  11.052  1.00 24.14           O
ATOM      0  H   GLU A  64       6.792   0.474   7.915  1.00  4.44           H   new
ATOM      0  HA  GLU A  64       8.677   2.142   9.146  1.00 52.12           H   new
ATOM      0  HB2 GLU A  64       9.124  -0.104   7.118  1.00  4.30           H   new
ATOM      0  HB3 GLU A  64      10.335   0.528   8.216  1.00  4.30           H   new
ATOM      0  HG2 GLU A  64       7.771  -0.814   9.163  1.00 65.11           H   new
ATOM      0  HG3 GLU A  64       9.262  -1.689   8.878  1.00 65.11           H   new
ATOM    670  N   LYS A  65       8.493   2.433   5.844  1.00 34.24           N
ATOM    671  CA  LYS A  65       8.800   3.277   4.665  1.00  5.01           C
ATOM    672  C   LYS A  65       8.092   4.659   4.720  1.00 15.04           C
ATOM    673  O   LYS A  65       8.365   5.523   3.878  1.00 31.35           O
ATOM    674  CB  LYS A  65       8.393   2.520   3.368  1.00 71.40           C
ATOM    675  CG  LYS A  65       9.114   1.161   3.166  1.00 43.43           C
ATOM    676  CD  LYS A  65      10.624   1.311   2.863  1.00 72.02           C
ATOM    677  CE  LYS A  65      10.882   1.937   1.483  1.00 43.32           C
ATOM    678  NZ  LYS A  65      12.322   2.100   1.188  1.00 60.13           N
ATOM      0  H   LYS A  65       7.837   1.679   5.641  1.00 34.24           H   new
ATOM      0  HA  LYS A  65       9.873   3.470   4.668  1.00  5.01           H   new
ATOM      0  HB2 LYS A  65       7.317   2.348   3.385  1.00 71.40           H   new
ATOM      0  HB3 LYS A  65       8.600   3.158   2.509  1.00 71.40           H   new
ATOM      0  HG2 LYS A  65       8.989   0.554   4.062  1.00 43.43           H   new
ATOM      0  HG3 LYS A  65       8.637   0.622   2.347  1.00 43.43           H   new
ATOM      0  HD2 LYS A  65      11.087   1.929   3.632  1.00 72.02           H   new
ATOM      0  HD3 LYS A  65      11.101   0.332   2.911  1.00 72.02           H   new
ATOM      0  HE2 LYS A  65      10.427   1.312   0.715  1.00 43.32           H   new
ATOM      0  HE3 LYS A  65      10.393   2.910   1.433  1.00 43.32           H   new
ATOM      0  HZ1 LYS A  65      12.437   2.526   0.246  1.00 60.13           H   new
ATOM      0  HZ2 LYS A  65      12.755   2.719   1.903  1.00 60.13           H   new
ATOM      0  HZ3 LYS A  65      12.788   1.170   1.207  1.00 60.13           H   new
ATOM    692  N   GLY A  66       7.174   4.851   5.696  1.00 54.42           N
ATOM    693  CA  GLY A  66       6.472   6.136   5.878  1.00 23.34           C
ATOM    694  C   GLY A  66       5.307   6.347   4.904  1.00 73.14           C
ATOM    695  O   GLY A  66       4.882   7.483   4.678  1.00 11.21           O
ATOM      0  H   GLY A  66       6.905   4.131   6.367  1.00 54.42           H   new
ATOM      0  HA2 GLY A  66       6.095   6.192   6.899  1.00 23.34           H   new
ATOM      0  HA3 GLY A  66       7.187   6.950   5.757  1.00 23.34           H   new
ATOM    699  N   ALA A  67       4.789   5.248   4.338  1.00 34.05           N
ATOM    700  CA  ALA A  67       3.667   5.266   3.381  1.00 51.32           C
ATOM    701  C   ALA A  67       2.318   5.277   4.111  1.00 60.12           C
ATOM    702  O   ALA A  67       2.117   4.508   5.062  1.00  4.42           O
ATOM    703  CB  ALA A  67       3.746   4.042   2.461  1.00 53.31           C
ATOM      0  H   ALA A  67       5.139   4.310   4.532  1.00 34.05           H   new
ATOM      0  HA  ALA A  67       3.743   6.176   2.786  1.00 51.32           H   new
ATOM      0  HB1 ALA A  67       2.914   4.062   1.757  1.00 53.31           H   new
ATOM      0  HB2 ALA A  67       4.687   4.060   1.911  1.00 53.31           H   new
ATOM      0  HB3 ALA A  67       3.693   3.133   3.060  1.00 53.31           H   new
ATOM    709  N   ASP A  68       1.404   6.133   3.640  1.00 71.43           N
ATOM    710  CA  ASP A  68       0.044   6.253   4.194  1.00 21.45           C
ATOM    711  C   ASP A  68      -0.816   5.059   3.770  1.00 64.03           C
ATOM    712  O   ASP A  68      -1.427   4.391   4.618  1.00 72.45           O
ATOM    713  CB  ASP A  68      -0.618   7.574   3.722  1.00  3.01           C
ATOM    714  CG  ASP A  68       0.060   8.828   4.293  1.00 33.04           C
ATOM    715  OD1 ASP A  68       1.253   9.048   4.011  1.00 71.14           O
ATOM    716  OD2 ASP A  68      -0.584   9.591   5.039  1.00  1.23           O
ATOM      0  H   ASP A  68       1.584   6.766   2.861  1.00 71.43           H   new
ATOM      0  HA  ASP A  68       0.118   6.264   5.281  1.00 21.45           H   new
ATOM      0  HB2 ASP A  68      -0.591   7.618   2.633  1.00  3.01           H   new
ATOM      0  HB3 ASP A  68      -1.668   7.571   4.015  1.00  3.01           H   new
ATOM    721  N   VAL A  69      -0.849   4.778   2.447  1.00 12.23           N
ATOM    722  CA  VAL A  69      -1.728   3.720   1.889  1.00 55.44           C
ATOM    723  C   VAL A  69      -0.908   2.658   1.133  1.00 52.35           C
ATOM    724  O   VAL A  69      -0.010   2.983   0.342  1.00 43.14           O
ATOM    725  CB  VAL A  69      -2.860   4.304   0.949  1.00  4.22           C
ATOM    726  CG1 VAL A  69      -3.788   3.176   0.400  1.00 42.52           C
ATOM    727  CG2 VAL A  69      -3.699   5.385   1.682  1.00 12.14           C
ATOM      0  H   VAL A  69      -0.284   5.263   1.750  1.00 12.23           H   new
ATOM      0  HA  VAL A  69      -2.220   3.249   2.740  1.00 55.44           H   new
ATOM      0  HB  VAL A  69      -2.361   4.773   0.101  1.00  4.22           H   new
ATOM      0 HG11 VAL A  69      -4.553   3.614  -0.241  1.00 42.52           H   new
ATOM      0 HG12 VAL A  69      -3.195   2.465  -0.176  1.00 42.52           H   new
ATOM      0 HG13 VAL A  69      -4.265   2.660   1.233  1.00 42.52           H   new
ATOM      0 HG21 VAL A  69      -4.468   5.766   1.010  1.00 12.14           H   new
ATOM      0 HG22 VAL A  69      -4.171   4.945   2.561  1.00 12.14           H   new
ATOM      0 HG23 VAL A  69      -3.048   6.203   1.991  1.00 12.14           H   new
ATOM    737  N   VAL A  70      -1.243   1.394   1.419  1.00 21.51           N
ATOM    738  CA  VAL A  70      -0.703   0.202   0.768  1.00  4.21           C
ATOM    739  C   VAL A  70      -1.780  -0.294  -0.220  1.00 61.34           C
ATOM    740  O   VAL A  70      -2.859  -0.745   0.200  1.00 51.40           O
ATOM    741  CB  VAL A  70      -0.377  -0.920   1.828  1.00 43.24           C
ATOM    742  CG1 VAL A  70       0.506  -2.026   1.212  1.00 52.22           C
ATOM    743  CG2 VAL A  70       0.258  -0.330   3.109  1.00 20.32           C
ATOM      0  H   VAL A  70      -1.927   1.168   2.141  1.00 21.51           H   new
ATOM      0  HA  VAL A  70       0.228   0.437   0.252  1.00  4.21           H   new
ATOM      0  HB  VAL A  70      -1.321  -1.378   2.123  1.00 43.24           H   new
ATOM      0 HG11 VAL A  70       0.715  -2.786   1.965  1.00 52.22           H   new
ATOM      0 HG12 VAL A  70      -0.016  -2.482   0.371  1.00 52.22           H   new
ATOM      0 HG13 VAL A  70       1.444  -1.592   0.865  1.00 52.22           H   new
ATOM      0 HG21 VAL A  70       0.468  -1.134   3.815  1.00 20.32           H   new
ATOM      0 HG22 VAL A  70       1.187   0.180   2.853  1.00 20.32           H   new
ATOM      0 HG23 VAL A  70      -0.433   0.380   3.563  1.00 20.32           H   new
ATOM    753  N   VAL A  71      -1.501  -0.168  -1.515  1.00 41.55           N
ATOM    754  CA  VAL A  71      -2.508  -0.318  -2.579  1.00 73.33           C
ATOM    755  C   VAL A  71      -2.378  -1.685  -3.276  1.00 41.42           C
ATOM    756  O   VAL A  71      -1.413  -1.914  -4.024  1.00 14.21           O
ATOM    757  CB  VAL A  71      -2.346   0.849  -3.619  1.00 44.34           C
ATOM    758  CG1 VAL A  71      -3.441   0.811  -4.702  1.00 12.31           C
ATOM    759  CG2 VAL A  71      -2.309   2.219  -2.896  1.00 73.21           C
ATOM      0  H   VAL A  71      -0.566   0.042  -1.865  1.00 41.55           H   new
ATOM      0  HA  VAL A  71      -3.501  -0.269  -2.132  1.00 73.33           H   new
ATOM      0  HB  VAL A  71      -1.394   0.708  -4.131  1.00 44.34           H   new
ATOM      0 HG11 VAL A  71      -3.291   1.635  -5.400  1.00 12.31           H   new
ATOM      0 HG12 VAL A  71      -3.387  -0.135  -5.241  1.00 12.31           H   new
ATOM      0 HG13 VAL A  71      -4.420   0.906  -4.233  1.00 12.31           H   new
ATOM      0 HG21 VAL A  71      -2.196   3.016  -3.631  1.00 73.21           H   new
ATOM      0 HG22 VAL A  71      -3.237   2.364  -2.343  1.00 73.21           H   new
ATOM      0 HG23 VAL A  71      -1.467   2.243  -2.204  1.00 73.21           H   new
ATOM    769  N   LEU A  72      -3.358  -2.582  -3.018  1.00 63.44           N
ATOM    770  CA  LEU A  72      -3.404  -3.928  -3.628  1.00 71.40           C
ATOM    771  C   LEU A  72      -3.696  -3.828  -5.138  1.00 41.30           C
ATOM    772  O   LEU A  72      -4.801  -3.432  -5.547  1.00 21.03           O
ATOM    773  CB  LEU A  72      -4.473  -4.838  -2.946  1.00 21.25           C
ATOM    774  CG  LEU A  72      -4.216  -5.223  -1.448  1.00 72.40           C
ATOM    775  CD1 LEU A  72      -5.333  -6.149  -0.914  1.00  0.02           C
ATOM    776  CD2 LEU A  72      -2.823  -5.882  -1.251  1.00 22.44           C
ATOM      0  H   LEU A  72      -4.135  -2.393  -2.384  1.00 63.44           H   new
ATOM      0  HA  LEU A  72      -2.425  -4.383  -3.477  1.00 71.40           H   new
ATOM      0  HB2 LEU A  72      -5.438  -4.335  -3.007  1.00 21.25           H   new
ATOM      0  HB3 LEU A  72      -4.556  -5.758  -3.525  1.00 21.25           H   new
ATOM      0  HG  LEU A  72      -4.228  -4.297  -0.873  1.00 72.40           H   new
ATOM      0 HD11 LEU A  72      -5.130  -6.401   0.127  1.00  0.02           H   new
ATOM      0 HD12 LEU A  72      -6.293  -5.638  -0.983  1.00  0.02           H   new
ATOM      0 HD13 LEU A  72      -5.364  -7.062  -1.509  1.00  0.02           H   new
ATOM      0 HD21 LEU A  72      -2.685  -6.133  -0.199  1.00 22.44           H   new
ATOM      0 HD22 LEU A  72      -2.761  -6.789  -1.852  1.00 22.44           H   new
ATOM      0 HD23 LEU A  72      -2.044  -5.186  -1.563  1.00 22.44           H   new
ATOM    788  N   THR A  73      -2.678  -4.152  -5.953  1.00 43.05           N
ATOM    789  CA  THR A  73      -2.809  -4.252  -7.419  1.00 12.15           C
ATOM    790  C   THR A  73      -2.904  -5.721  -7.862  1.00  1.53           C
ATOM    791  O   THR A  73      -3.298  -6.007  -9.000  1.00 50.53           O
ATOM    792  CB  THR A  73      -1.626  -3.531  -8.125  1.00 20.01           C
ATOM    793  OG1 THR A  73      -0.373  -3.999  -7.581  1.00 13.32           O
ATOM    794  CG2 THR A  73      -1.742  -2.002  -7.955  1.00 63.51           C
ATOM      0  H   THR A  73      -1.737  -4.353  -5.614  1.00 43.05           H   new
ATOM      0  HA  THR A  73      -3.733  -3.755  -7.714  1.00 12.15           H   new
ATOM      0  HB  THR A  73      -1.662  -3.761  -9.190  1.00 20.01           H   new
ATOM      0  HG1 THR A  73       0.214  -3.234  -7.407  1.00 13.32           H   new
ATOM      0 HG21 THR A  73      -0.905  -1.516  -8.456  1.00 63.51           H   new
ATOM      0 HG22 THR A  73      -2.678  -1.657  -8.394  1.00 63.51           H   new
ATOM      0 HG23 THR A  73      -1.725  -1.752  -6.894  1.00 63.51           H   new
ATOM    939  N   GLY A  83       0.940 -11.187  -4.327  1.00 63.43           N
ATOM    940  CA  GLY A  83       0.919 -10.175  -3.275  1.00 14.51           C
ATOM    941  C   GLY A  83       1.845  -8.990  -3.523  1.00 64.03           C
ATOM    942  O   GLY A  83       2.770  -8.752  -2.746  1.00  3.44           O
ATOM      0  HA2 GLY A  83      -0.101  -9.806  -3.162  1.00 14.51           H   new
ATOM      0  HA3 GLY A  83       1.194 -10.644  -2.331  1.00 14.51           H   new
ATOM    946  N   THR A  84       1.577  -8.236  -4.604  1.00 55.32           N
ATOM    947  CA  THR A  84       2.238  -6.945  -4.880  1.00 54.44           C
ATOM    948  C   THR A  84       1.287  -5.804  -4.503  1.00 42.12           C
ATOM    949  O   THR A  84       0.104  -5.805  -4.893  1.00 42.52           O
ATOM    950  CB  THR A  84       2.659  -6.779  -6.389  1.00 75.13           C
ATOM    951  OG1 THR A  84       1.588  -7.190  -7.259  1.00 64.33           O
ATOM    952  CG2 THR A  84       3.935  -7.564  -6.724  1.00 70.31           C
ATOM      0  H   THR A  84       0.895  -8.504  -5.313  1.00 55.32           H   new
ATOM      0  HA  THR A  84       3.149  -6.917  -4.283  1.00 54.44           H   new
ATOM      0  HB  THR A  84       2.870  -5.721  -6.548  1.00 75.13           H   new
ATOM      0  HG1 THR A  84       1.864  -7.079  -8.193  1.00 64.33           H   new
ATOM      0 HG21 THR A  84       4.186  -7.419  -7.775  1.00 70.31           H   new
ATOM      0 HG22 THR A  84       4.756  -7.207  -6.102  1.00 70.31           H   new
ATOM      0 HG23 THR A  84       3.770  -8.624  -6.533  1.00 70.31           H   new
ATOM    960  N   ALA A  85       1.819  -4.845  -3.736  1.00 51.31           N
ATOM    961  CA  ALA A  85       1.098  -3.654  -3.303  1.00 74.10           C
ATOM    962  C   ALA A  85       2.012  -2.429  -3.436  1.00  0.33           C
ATOM    963  O   ALA A  85       3.147  -2.418  -2.927  1.00 40.41           O
ATOM    964  CB  ALA A  85       0.598  -3.824  -1.864  1.00 60.50           C
ATOM      0  H   ALA A  85       2.780  -4.881  -3.396  1.00 51.31           H   new
ATOM      0  HA  ALA A  85       0.224  -3.506  -3.938  1.00 74.10           H   new
ATOM      0  HB1 ALA A  85       0.062  -2.926  -1.557  1.00 60.50           H   new
ATOM      0  HB2 ALA A  85      -0.072  -4.682  -1.810  1.00 60.50           H   new
ATOM      0  HB3 ALA A  85       1.448  -3.985  -1.200  1.00 60.50           H   new
ATOM    970  N   ASP A  86       1.510  -1.406  -4.131  1.00 61.35           N
ATOM    971  CA  ASP A  86       2.257  -0.169  -4.400  1.00 61.24           C
ATOM    972  C   ASP A  86       1.963   0.823  -3.279  1.00 54.32           C
ATOM    973  O   ASP A  86       0.805   1.015  -2.912  1.00 74.40           O
ATOM    974  CB  ASP A  86       1.857   0.401  -5.780  1.00 23.31           C
ATOM    975  CG  ASP A  86       2.138  -0.592  -6.925  1.00 53.35           C
ATOM    976  OD1 ASP A  86       1.313  -1.489  -7.158  1.00 54.51           O
ATOM    977  OD2 ASP A  86       3.186  -0.485  -7.588  1.00 54.22           O
ATOM      0  H   ASP A  86       0.570  -1.409  -4.526  1.00 61.35           H   new
ATOM      0  HA  ASP A  86       3.328  -0.367  -4.428  1.00 61.24           H   new
ATOM      0  HB2 ASP A  86       0.797   0.654  -5.773  1.00 23.31           H   new
ATOM      0  HB3 ASP A  86       2.404   1.326  -5.961  1.00 23.31           H   new
ATOM    982  N   ILE A  87       3.010   1.438  -2.718  1.00 33.31           N
ATOM    983  CA  ILE A  87       2.885   2.248  -1.495  1.00 61.21           C
ATOM    984  C   ILE A  87       2.992   3.752  -1.798  1.00 10.20           C
ATOM    985  O   ILE A  87       3.861   4.208  -2.572  1.00 13.13           O
ATOM    986  CB  ILE A  87       3.931   1.792  -0.416  1.00  0.31           C
ATOM    987  CG1 ILE A  87       5.405   1.925  -0.929  1.00 54.44           C
ATOM    988  CG2 ILE A  87       3.625   0.339   0.020  1.00 73.21           C
ATOM    989  CD1 ILE A  87       6.485   1.553   0.078  1.00 51.33           C
ATOM      0  H   ILE A  87       3.958   1.391  -3.091  1.00 33.31           H   new
ATOM      0  HA  ILE A  87       1.890   2.081  -1.082  1.00 61.21           H   new
ATOM      0  HB  ILE A  87       3.840   2.454   0.445  1.00  0.31           H   new
ATOM      0 HG12 ILE A  87       5.523   1.295  -1.811  1.00 54.44           H   new
ATOM      0 HG13 ILE A  87       5.569   2.954  -1.248  1.00 54.44           H   new
ATOM      0 HG21 ILE A  87       4.351   0.023   0.769  1.00 73.21           H   new
ATOM      0 HG22 ILE A  87       2.622   0.290   0.444  1.00 73.21           H   new
ATOM      0 HG23 ILE A  87       3.686  -0.321  -0.845  1.00 73.21           H   new
ATOM      0 HD11 ILE A  87       7.467   1.680  -0.378  1.00 51.33           H   new
ATOM      0 HD12 ILE A  87       6.405   2.198   0.953  1.00 51.33           H   new
ATOM      0 HD13 ILE A  87       6.358   0.514   0.381  1.00 51.33           H   new
ATOM   1001  N   TYR A  88       2.073   4.515  -1.183  1.00  4.01           N
ATOM   1002  CA  TYR A  88       1.871   5.943  -1.450  1.00 63.24           C
ATOM   1003  C   TYR A  88       1.847   6.738  -0.141  1.00 13.04           C
ATOM   1004  O   TYR A  88       1.320   6.269   0.885  1.00 13.43           O
ATOM   1005  CB  TYR A  88       0.543   6.176  -2.213  1.00 72.00           C
ATOM   1006  CG  TYR A  88       0.502   5.669  -3.671  1.00 13.11           C
ATOM   1007  CD1 TYR A  88       0.461   4.305  -3.965  1.00 45.13           C
ATOM   1008  CD2 TYR A  88       0.471   6.562  -4.754  1.00 63.01           C
ATOM   1009  CE1 TYR A  88       0.387   3.849  -5.266  1.00 72.32           C
ATOM   1010  CE2 TYR A  88       0.386   6.106  -6.057  1.00  1.21           C
ATOM   1011  CZ  TYR A  88       0.356   4.749  -6.307  1.00 20.03           C
ATOM   1012  OH  TYR A  88       0.283   4.289  -7.604  1.00 12.20           O
ATOM      0  H   TYR A  88       1.439   4.147  -0.474  1.00  4.01           H   new
ATOM      0  HA  TYR A  88       2.702   6.287  -2.065  1.00 63.24           H   new
ATOM      0  HB2 TYR A  88      -0.261   5.693  -1.658  1.00 72.00           H   new
ATOM      0  HB3 TYR A  88       0.331   7.245  -2.215  1.00 72.00           H   new
ATOM      0  HD1 TYR A  88       0.488   3.590  -3.156  1.00 45.13           H   new
ATOM      0  HD2 TYR A  88       0.514   7.625  -4.566  1.00 63.01           H   new
ATOM      0  HE1 TYR A  88       0.354   2.788  -5.467  1.00 72.32           H   new
ATOM      0  HE2 TYR A  88       0.343   6.809  -6.876  1.00  1.21           H   new
ATOM      0  HH  TYR A  88       0.268   5.050  -8.221  1.00 12.20           H   new
ATOM   1022  N   LYS A  89       2.386   7.959  -0.219  1.00 52.14           N
ATOM   1023  CA  LYS A  89       2.507   8.888   0.909  1.00 23.33           C
ATOM   1024  C   LYS A  89       1.734  10.184   0.583  1.00 33.41           C
ATOM   1025  O   LYS A  89       1.882  10.732  -0.507  1.00 72.32           O
ATOM   1026  CB  LYS A  89       4.011   9.185   1.157  1.00 74.24           C
ATOM   1027  CG  LYS A  89       4.291   9.983   2.443  1.00 32.23           C
ATOM   1028  CD  LYS A  89       5.775  10.380   2.606  1.00 73.24           C
ATOM   1029  CE  LYS A  89       6.745   9.186   2.649  1.00  2.42           C
ATOM   1030  NZ  LYS A  89       8.129   9.616   2.974  1.00 43.40           N
ATOM      0  H   LYS A  89       2.759   8.338  -1.089  1.00 52.14           H   new
ATOM      0  HA  LYS A  89       2.083   8.451   1.813  1.00 23.33           H   new
ATOM      0  HB2 LYS A  89       4.554   8.241   1.203  1.00 74.24           H   new
ATOM      0  HB3 LYS A  89       4.406   9.739   0.305  1.00 74.24           H   new
ATOM      0  HG2 LYS A  89       3.679  10.885   2.443  1.00 32.23           H   new
ATOM      0  HG3 LYS A  89       3.984   9.390   3.304  1.00 32.23           H   new
ATOM      0  HD2 LYS A  89       6.057  11.034   1.781  1.00 73.24           H   new
ATOM      0  HD3 LYS A  89       5.887  10.958   3.523  1.00 73.24           H   new
ATOM      0  HE2 LYS A  89       6.403   8.466   3.392  1.00  2.42           H   new
ATOM      0  HE3 LYS A  89       6.739   8.677   1.685  1.00  2.42           H   new
ATOM      0  HZ1 LYS A  89       8.755   8.786   2.994  1.00 43.40           H   new
ATOM      0  HZ2 LYS A  89       8.464  10.284   2.251  1.00 43.40           H   new
ATOM      0  HZ3 LYS A  89       8.139  10.080   3.905  1.00 43.40           H   new
ATOM   1044  N   LYS A  90       0.928  10.682   1.532  1.00 63.11           N
ATOM   1045  CA  LYS A  90      -0.011  11.796   1.285  1.00 31.13           C
ATOM   1046  C   LYS A  90       0.718  13.156   1.264  1.00 31.22           C
ATOM   1047  O   LYS A  90       1.639  13.397   2.050  1.00 61.10           O
ATOM   1048  CB  LYS A  90      -1.143  11.778   2.344  1.00 52.02           C
ATOM   1049  CG  LYS A  90      -2.294  12.777   2.076  1.00 21.52           C
ATOM   1050  CD  LYS A  90      -3.446  12.644   3.101  1.00 61.51           C
ATOM   1051  CE  LYS A  90      -4.439  13.811   3.017  1.00 45.33           C
ATOM   1052  NZ  LYS A  90      -3.813  15.080   3.470  1.00  2.14           N
ATOM      0  H   LYS A  90       0.905  10.329   2.489  1.00 63.11           H   new
ATOM      0  HA  LYS A  90      -0.456  11.660   0.299  1.00 31.13           H   new
ATOM      0  HB2 LYS A  90      -1.558  10.771   2.395  1.00 52.02           H   new
ATOM      0  HB3 LYS A  90      -0.712  11.995   3.321  1.00 52.02           H   new
ATOM      0  HG2 LYS A  90      -1.902  13.794   2.105  1.00 21.52           H   new
ATOM      0  HG3 LYS A  90      -2.685  12.614   1.072  1.00 21.52           H   new
ATOM      0  HD2 LYS A  90      -3.975  11.707   2.930  1.00 61.51           H   new
ATOM      0  HD3 LYS A  90      -3.030  12.596   4.107  1.00 61.51           H   new
ATOM      0  HE2 LYS A  90      -4.790  13.921   1.991  1.00 45.33           H   new
ATOM      0  HE3 LYS A  90      -5.313  13.594   3.631  1.00 45.33           H   new
ATOM      0  HZ1 LYS A  90      -4.553  15.789   3.646  1.00  2.14           H   new
ATOM      0  HZ2 LYS A  90      -3.280  14.911   4.347  1.00  2.14           H   new
ATOM      0  HZ3 LYS A  90      -3.167  15.430   2.734  1.00  2.14           H   new
ATOM   1066  N   LYS A  91       0.268  14.036   0.355  1.00 23.42           N
ATOM   1067  CA  LYS A  91       0.890  15.337   0.082  1.00 15.42           C
ATOM   1068  C   LYS A  91       0.400  16.399   1.080  1.00 34.12           C
ATOM   1069  O   LYS A  91      -0.657  17.013   0.875  1.00 31.44           O
ATOM   1070  CB  LYS A  91       0.599  15.762  -1.388  1.00 70.11           C
ATOM   1071  CG  LYS A  91       1.287  14.867  -2.440  1.00 64.01           C
ATOM   1072  CD  LYS A  91       0.925  15.212  -3.914  1.00 71.25           C
ATOM   1073  CE  LYS A  91       1.325  16.644  -4.357  1.00 62.32           C
ATOM   1074  NZ  LYS A  91       0.383  17.697  -3.881  1.00 63.30           N
ATOM      0  H   LYS A  91      -0.555  13.857  -0.221  1.00 23.42           H   new
ATOM      0  HA  LYS A  91       1.969  15.247   0.208  1.00 15.42           H   new
ATOM      0  HB2 LYS A  91      -0.478  15.743  -1.556  1.00 70.11           H   new
ATOM      0  HB3 LYS A  91       0.926  16.792  -1.531  1.00 70.11           H   new
ATOM      0  HG2 LYS A  91       2.367  14.946  -2.316  1.00 64.01           H   new
ATOM      0  HG3 LYS A  91       1.019  13.828  -2.247  1.00 64.01           H   new
ATOM      0  HD2 LYS A  91       1.412  14.492  -4.572  1.00 71.25           H   new
ATOM      0  HD3 LYS A  91      -0.150  15.091  -4.049  1.00 71.25           H   new
ATOM      0  HE2 LYS A  91       2.325  16.866  -3.983  1.00 62.32           H   new
ATOM      0  HE3 LYS A  91       1.377  16.678  -5.445  1.00 62.32           H   new
ATOM      0  HZ1 LYS A  91       0.015  18.228  -4.696  1.00 63.30           H   new
ATOM      0  HZ2 LYS A  91      -0.407  17.252  -3.373  1.00 63.30           H   new
ATOM      0  HZ3 LYS A  91       0.883  18.347  -3.242  1.00 63.30           H   new