CNRS Nantes University UFIP UFIP
home |  start a new run |  job status |  references&downloads |  examples |  help  

Should you encounter any unexpected behaviour,
please let us know.


***    ***

elNémo ID: 210426094659143777

Job options:

ID        	=	 210426094659143777
JOBID     	=	 
USERID    	=	 unknown
PRIVAT    	=	 0

NMODES    	=	 5
DQMIN     	=	 -100
DQMAX     	=	 100
DQSTEP    	=	 20
DOGRAPHS  	=	 on

DOPROJMODS	=	 0
DORMSD    	=	 0

NRBL      	=	 0
CUTOFF    	=	 0
CAONLY    	=	 0


Input data for this run:


ATOM      1  N   SER A  31       1.115  -4.956  -2.448  1.00  0.40           N1+
ATOM      2  CA  SER A  31       2.165  -4.976  -3.526  1.00  0.40           C  
ATOM      3  C   SER A  31       3.521  -4.646  -2.851  1.00  0.40           C  
ATOM      4  O   SER A  31       3.584  -4.310  -1.666  1.00  0.40           O  
ATOM      5  CB  SER A  31       1.810  -3.999  -4.671  1.00  0.40           C  
ATOM      6  OG  SER A  31       0.565  -4.344  -5.248  1.00  0.40           O  
ATOM      7  HA  SER A  31       2.175  -6.008  -3.881  1.00  0.00           H  
ATOM      8  HB2 SER A  31       1.759  -2.970  -4.312  1.00  0.00           H  
ATOM      9  HB3 SER A  31       2.565  -4.026  -5.458  1.00  0.00           H  
ATOM     10  HG  SER A  31       0.397  -3.759  -5.992  1.00  0.00           H  
ATOM     11  H1  SER A  31       0.222  -5.167  -2.871  1.00  0.00           H  
ATOM     12  H2  SER A  31       1.341  -5.648  -1.748  1.00  0.00           H  
ATOM     13  H3  SER A  31       1.087  -4.034  -2.034  1.00  0.00           H  
ATOM     14  N   CYS A  32       4.598  -4.754  -3.645  1.00  0.44           N  
ATOM     15  CA  CYS A  32       5.970  -4.461  -3.234  1.00  0.44           C  
ATOM     16  C   CYS A  32       6.597  -3.520  -4.270  1.00  0.44           C  
ATOM     17  O   CYS A  32       6.798  -2.341  -3.980  1.00  0.44           O  
ATOM     18  CB  CYS A  32       6.785  -5.757  -3.002  1.00  0.44           C  
ATOM     19  SG  CYS A  32       8.531  -5.422  -2.632  1.00  0.44           S  
ATOM     20  H   CYS A  32       4.483  -5.033  -4.608  1.00  0.00           H  
ATOM     21  HA  CYS A  32       5.968  -3.911  -2.291  1.00  0.00           H  
ATOM     22  HB2 CYS A  32       6.362  -6.323  -2.171  1.00  0.00           H  
ATOM     23  HB3 CYS A  32       6.742  -6.408  -3.876  1.00  0.00           H  
ATOM     24  HG  CYS A  32       8.339  -4.978  -1.386  1.00  0.00           H  
ATOM     25  N   CYS A  33       6.879  -4.070  -5.457  1.00  0.44           N  
ATOM     26  CA  CYS A  33       7.547  -3.392  -6.559  1.00  0.44           C  
ATOM     27  C   CYS A  33       6.987  -3.936  -7.880  1.00  0.44           C  
ATOM     28  O   CYS A  33       6.672  -5.123  -7.978  1.00  0.44           O  
ATOM     29  CB  CYS A  33       9.087  -3.495  -6.444  1.00  0.44           C  
ATOM     30  SG  CYS A  33       9.684  -5.212  -6.405  1.00  0.44           S  
ATOM     31  H   CYS A  33       6.672  -5.045  -5.622  1.00  0.00           H  
ATOM     32  HA  CYS A  33       7.283  -2.333  -6.519  1.00  0.00           H  
ATOM     33  HB2 CYS A  33       9.565  -2.982  -7.279  1.00  0.00           H  
ATOM     34  HB3 CYS A  33       9.429  -2.997  -5.536  1.00  0.00           H  
ATOM     35  HG  CYS A  33       9.289  -5.465  -5.154  1.00  0.00           H  
ATOM     36  N   SER A  34       6.874  -3.040  -8.872  1.00  0.40           N  
ATOM     37  CA  SER A  34       6.346  -3.319 -10.211  1.00  0.40           C  
ATOM     38  C   SER A  34       7.305  -4.107 -11.132  1.00  0.40           C  
ATOM     39  O   SER A  34       6.912  -4.418 -12.256  1.00  0.40           O  
ATOM     40  CB  SER A  34       5.863  -1.990 -10.830  1.00  0.40           C  
ATOM     41  OG  SER A  34       6.936  -1.105 -11.089  1.00  0.40           O  
ATOM     42  H   SER A  34       7.163  -2.084  -8.718  1.00  0.00           H  
ATOM     43  HA  SER A  34       5.464  -3.950 -10.085  1.00  0.00           H  
ATOM     44  HB2 SER A  34       5.338  -2.177 -11.767  1.00  0.00           H  
ATOM     45  HB3 SER A  34       5.149  -1.497 -10.168  1.00  0.00           H  
ATOM     46  HG  SER A  34       6.592  -0.329 -11.540  1.00  0.00           H  
ATOM     47  N   CYS A  35       8.514  -4.438 -10.643  1.00  0.43           N  
ATOM     48  CA  CYS A  35       9.496  -5.295 -11.312  1.00  0.43           C  
ATOM     49  C   CYS A  35       9.400  -6.776 -10.874  1.00  0.43           C  
ATOM     50  O   CYS A  35      10.101  -7.600 -11.460  1.00  0.43           O  
ATOM     51  CB  CYS A  35      10.926  -4.724 -11.165  1.00  0.43           C  
ATOM     52  SG  CYS A  35      11.596  -4.863  -9.483  1.00  0.43           S  
ATOM     53  H   CYS A  35       8.761  -4.138  -9.712  1.00  0.00           H  
ATOM     54  HA  CYS A  35       9.282  -5.293 -12.382  1.00  0.00           H  
ATOM     55  HB2 CYS A  35      11.607  -5.260 -11.828  1.00  0.00           H  
ATOM     56  HB3 CYS A  35      10.953  -3.678 -11.475  1.00  0.00           H  
ATOM     57  HG  CYS A  35      10.827  -3.917  -8.939  1.00  0.00           H  
ATOM     58  N   CYS A  36       8.541  -7.095  -9.887  1.00  0.48           N  
ATOM     59  CA  CYS A  36       8.310  -8.446  -9.362  1.00  0.48           C  
ATOM     60  C   CYS A  36       6.800  -8.763  -9.368  1.00  0.48           C  
ATOM     61  O   CYS A  36       5.990  -7.835  -9.329  1.00  0.48           O  
ATOM     62  CB  CYS A  36       8.845  -8.583  -7.921  1.00  0.48           C  
ATOM     63  SG  CYS A  36      10.642  -8.783  -7.942  1.00  0.48           S  
ATOM     64  H   CYS A  36       7.974  -6.368  -9.472  1.00  0.00           H  
ATOM     65  HA  CYS A  36       8.811  -9.169 -10.007  1.00  0.00           H  
ATOM     66  HB2 CYS A  36       8.570  -7.719  -7.316  1.00  0.00           H  
ATOM     67  HB3 CYS A  36       8.431  -9.454  -7.412  1.00  0.00           H  
ATOM     68  HG  CYS A  36      10.920  -7.587  -8.470  1.00  0.00           H  
ATOM     69  N   PRO A  37       6.437 -10.070  -9.355  1.00  0.50           N  
ATOM     70  CA  PRO A  37       5.038 -10.503  -9.164  1.00  0.50           C  
ATOM     71  C   PRO A  37       4.503 -10.235  -7.741  1.00  0.50           C  
ATOM     72  O   PRO A  37       5.281  -9.925  -6.837  1.00  0.50           O  
ATOM     73  CB  PRO A  37       5.087 -12.005  -9.492  1.00  0.50           C  
ATOM     74  CG  PRO A  37       6.494 -12.435  -9.117  1.00  0.50           C  
ATOM     75  CD  PRO A  37       7.331 -11.225  -9.509  1.00  0.50           C  
ATOM     76  HA  PRO A  37       4.387  -9.992  -9.876  1.00  0.00           H  
ATOM     77  HB2 PRO A  37       4.325 -12.596  -8.981  1.00  0.00           H  
ATOM     78  HB3 PRO A  37       4.937 -12.144 -10.564  1.00  0.00           H  
ATOM     79  HG2 PRO A  37       6.544 -12.587  -8.038  1.00  0.00           H  
ATOM     80  HG3 PRO A  37       6.813 -13.358  -9.602  1.00  0.00           H  
ATOM     81  HD2 PRO A  37       8.239 -11.171  -8.909  1.00  0.00           H  
ATOM     82  HD3 PRO A  37       7.626 -11.292 -10.557  1.00  0.00           H  
ATOM     83  N   SER A  38       3.173 -10.364  -7.587  1.00  0.46           N  
ATOM     84  CA  SER A  38       2.415 -10.185  -6.341  1.00  0.46           C  
ATOM     85  C   SER A  38       2.664 -11.341  -5.349  1.00  0.46           C  
ATOM     86  O   SER A  38       1.806 -12.203  -5.163  1.00  0.46           O  
ATOM     87  CB  SER A  38       0.919 -10.045  -6.695  1.00  0.46           C  
ATOM     88  OG  SER A  38       0.681  -8.822  -7.360  1.00  0.46           O  
ATOM     89  H   SER A  38       2.613 -10.607  -8.391  1.00  0.00           H  
ATOM     90  HA  SER A  38       2.745  -9.263  -5.857  1.00  0.00           H  
ATOM     91  HB2 SER A  38       0.579 -10.872  -7.320  1.00  0.00           H  
ATOM     92  HB3 SER A  38       0.306 -10.051  -5.793  1.00  0.00           H  
ATOM     93  HG  SER A  38      -0.254  -8.763  -7.569  1.00  0.00           H  
ATOM     94  N   GLY A  39       3.866 -11.346  -4.763  1.00  0.49           N  
ATOM     95  CA  GLY A  39       4.423 -12.470  -4.034  1.00  0.49           C  
ATOM     96  C   GLY A  39       5.931 -12.256  -4.099  1.00  0.49           C  
ATOM     97  O   GLY A  39       6.419 -11.256  -3.571  1.00  0.49           O  
ATOM     98  H   GLY A  39       4.511 -10.595  -4.974  1.00  0.00           H  
ATOM     99  HA2 GLY A  39       4.084 -12.458  -2.997  1.00  0.00           H  
ATOM    100  HA3 GLY A  39       4.138 -13.425  -4.481  1.00  0.00           H  
ATOM    101  N   CYS A  40       6.651 -13.203  -4.732  1.00  0.53           N  
ATOM    102  CA  CYS A  40       8.112 -13.270  -4.853  1.00  0.53           C  
ATOM    103  C   CYS A  40       8.738 -13.478  -3.465  1.00  0.53           C  
ATOM    104  O   CYS A  40       8.844 -12.514  -2.714  1.00  0.53           O  
ATOM    105  CB  CYS A  40       8.717 -12.062  -5.621  1.00  0.53           C  
ATOM    106  SG  CYS A  40      10.530 -12.146  -5.748  1.00  0.53           S  
ATOM    107  H   CYS A  40       6.156 -13.984  -5.138  1.00  0.00           H  
ATOM    108  HA  CYS A  40       8.322 -14.162  -5.445  1.00  0.00           H  
ATOM    109  HB2 CYS A  40       8.313 -12.025  -6.631  1.00  0.00           H  
ATOM    110  HB3 CYS A  40       8.457 -11.115  -5.153  1.00  0.00           H  
ATOM    111  HG  CYS A  40      10.682 -10.999  -6.419  1.00  0.00           H  
ATOM    112  N   THR A  41       9.120 -14.721  -3.133  1.00  0.51           N  
ATOM    113  CA  THR A  41       9.628 -15.109  -1.808  1.00  0.51           C  
ATOM    114  C   THR A  41      10.923 -14.394  -1.347  1.00  0.51           C  
ATOM    115  O   THR A  41      11.154 -14.358  -0.139  1.00  0.51           O  
ATOM    116  CB  THR A  41       9.845 -16.641  -1.704  1.00  0.51           C  
ATOM    117  CG2 THR A  41       8.526 -17.415  -1.587  1.00  0.51           C  
ATOM    118  OG1 THR A  41      10.540 -17.129  -2.837  1.00  0.51           O  
ATOM    119  H   THR A  41       9.030 -15.474  -3.800  1.00  0.00           H  
ATOM    120  HA  THR A  41       8.854 -14.839  -1.091  1.00  0.00           H  
ATOM    121  HB  THR A  41      10.446 -16.883  -0.825  1.00  0.00           H  
ATOM    122  HG1 THR A  41      10.609 -18.084  -2.766  1.00  0.00           H  
ATOM    123 HG21 THR A  41       8.703 -18.488  -1.510  1.00  0.00           H  
ATOM    124 HG22 THR A  41       7.971 -17.111  -0.700  1.00  0.00           H  
ATOM    125 HG23 THR A  41       7.886 -17.245  -2.453  1.00  0.00           H  
ATOM    126  N   LYS A  42      11.691 -13.774  -2.263  1.00  0.50           N  
ATOM    127  CA  LYS A  42      12.766 -12.839  -1.905  1.00  0.50           C  
ATOM    128  C   LYS A  42      12.227 -11.490  -1.386  1.00  0.50           C  
ATOM    129  O   LYS A  42      12.696 -11.012  -0.354  1.00  0.50           O  
ATOM    130  CB  LYS A  42      13.716 -12.618  -3.097  1.00  0.50           C  
ATOM    131  CG  LYS A  42      14.563 -13.850  -3.473  1.00  0.50           C  
ATOM    132  CD  LYS A  42      16.022 -13.462  -3.768  1.00  0.50           C  
ATOM    133  CE  LYS A  42      16.884 -14.587  -4.364  1.00  0.50           C  
ATOM    134  NZ  LYS A  42      16.596 -14.812  -5.792  1.00  0.50           N1+
ATOM    135  H   LYS A  42      11.453 -13.837  -3.242  1.00  0.00           H  
ATOM    136  HA  LYS A  42      13.348 -13.285  -1.096  1.00  0.00           H  
ATOM    137  HB2 LYS A  42      13.177 -12.252  -3.971  1.00  0.00           H  
ATOM    138  HB3 LYS A  42      14.395 -11.811  -2.819  1.00  0.00           H  
ATOM    139  HG2 LYS A  42      14.545 -14.588  -2.671  1.00  0.00           H  
ATOM    140  HG3 LYS A  42      14.119 -14.335  -4.342  1.00  0.00           H  
ATOM    141  HD2 LYS A  42      16.031 -12.597  -4.423  1.00  0.00           H  
ATOM    142  HD3 LYS A  42      16.488 -13.129  -2.839  1.00  0.00           H  
ATOM    143  HE2 LYS A  42      17.938 -14.319  -4.284  1.00  0.00           H  
ATOM    144  HE3 LYS A  42      16.747 -15.514  -3.808  1.00  0.00           H  
ATOM    145  HZ1 LYS A  42      16.795 -13.964  -6.306  1.00  0.00           H  
ATOM    146  HZ2 LYS A  42      17.180 -15.552  -6.154  1.00  0.00           H  
ATOM    147  HZ3 LYS A  42      15.625 -15.058  -5.923  1.00  0.00           H  
ATOM    148  N   CYS A  43      11.233 -10.927  -2.094  1.00  0.52           N  
ATOM    149  CA  CYS A  43      10.534  -9.684  -1.748  1.00  0.52           C  
ATOM    150  C   CYS A  43       9.429  -9.875  -0.684  1.00  0.52           C  
ATOM    151  O   CYS A  43       8.839  -8.884  -0.259  1.00  0.52           O  
ATOM    152  CB  CYS A  43       9.948  -9.013  -3.004  1.00  0.52           C  
ATOM    153  SG  CYS A  43      11.284  -8.390  -4.061  1.00  0.52           S  
ATOM    154  H   CYS A  43      10.893 -11.399  -2.920  1.00  0.00           H  
ATOM    155  HA  CYS A  43      11.257  -8.996  -1.307  1.00  0.00           H  
ATOM    156  HB2 CYS A  43       9.331  -9.711  -3.568  1.00  0.00           H  
ATOM    157  HB3 CYS A  43       9.312  -8.169  -2.742  1.00  0.00           H  
ATOM    158  HG  CYS A  43      10.495  -7.873  -5.007  1.00  0.00           H  
ATOM    159  N   ALA A  44       9.170 -11.117  -0.238  1.00  0.56           N  
ATOM    160  CA  ALA A  44       8.248 -11.423   0.858  1.00  0.56           C  
ATOM    161  C   ALA A  44       8.813 -11.030   2.235  1.00  0.56           C  
ATOM    162  O   ALA A  44       8.031 -10.818   3.160  1.00  0.56           O  
ATOM    163  CB  ALA A  44       7.895 -12.915   0.822  1.00  0.56           C  
ATOM    164  H   ALA A  44       9.651 -11.902  -0.654  1.00  0.00           H  
ATOM    165  HA  ALA A  44       7.328 -10.856   0.703  1.00  0.00           H  
ATOM    166  HB1 ALA A  44       7.172 -13.168   1.599  1.00  0.00           H  
ATOM    167  HB2 ALA A  44       7.449 -13.185  -0.136  1.00  0.00           H  
ATOM    168  HB3 ALA A  44       8.776 -13.539   0.975  1.00  0.00           H  
ATOM    169  N   SER A  45      10.149 -10.912   2.328  1.00  0.46           N  
ATOM    170  CA  SER A  45      10.878 -10.479   3.518  1.00  0.46           C  
ATOM    171  C   SER A  45      11.219  -8.967   3.488  1.00  0.46           C  
ATOM    172  O   SER A  45      11.924  -8.507   4.386  1.00  0.46           O  
ATOM    173  CB  SER A  45      12.129 -11.374   3.655  1.00  0.46           C  
ATOM    174  OG  SER A  45      12.739 -11.240   4.923  1.00  0.46           O  
ATOM    175  H   SER A  45      10.714 -11.106   1.513  1.00  0.00           H  
ATOM    176  HA  SER A  45      10.254 -10.647   4.398  1.00  0.00           H  
ATOM    177  HB2 SER A  45      11.857 -12.424   3.533  1.00  0.00           H  
ATOM    178  HB3 SER A  45      12.860 -11.148   2.877  1.00  0.00           H  
ATOM    179  HG  SER A  45      13.004 -10.322   5.034  1.00  0.00           H  
ATOM    180  N   GLY A  46      10.720  -8.215   2.489  1.00  0.49           N  
ATOM    181  CA  GLY A  46      10.991  -6.786   2.351  1.00  0.49           C  
ATOM    182  C   GLY A  46      11.034  -6.453   0.862  1.00  0.49           C  
ATOM    183  O   GLY A  46       9.987  -6.348   0.227  1.00  0.49           O  
ATOM    184  H   GLY A  46      10.128  -8.637   1.787  1.00  0.00           H  
ATOM    185  HA2 GLY A  46      10.192  -6.219   2.831  1.00  0.00           H  
ATOM    186  HA3 GLY A  46      11.930  -6.494   2.826  1.00  0.00           H  
ATOM    187  N   CYS A  47      12.248  -6.245   0.331  1.00  0.49           N  
ATOM    188  CA  CYS A  47      12.520  -5.921  -1.067  1.00  0.49           C  
ATOM    189  C   CYS A  47      14.039  -6.022  -1.259  1.00  0.49           C  
ATOM    190  O   CYS A  47      14.765  -5.181  -0.728  1.00  0.49           O  
ATOM    191  CB  CYS A  47      11.993  -4.522  -1.483  1.00  0.49           C  
ATOM    192  SG  CYS A  47      12.133  -4.114  -3.266  1.00  0.49           S1-
ATOM    193  H   CYS A  47      13.065  -6.325   0.919  1.00  0.00           H  
ATOM    194  HA  CYS A  47      12.030  -6.673  -1.687  1.00  0.00           H  
ATOM    195  HB2 CYS A  47      10.945  -4.431  -1.203  1.00  0.00           H  
ATOM    196  HB3 CYS A  47      12.492  -3.752  -0.893  1.00  0.00           H  
ATOM    197  N   VAL A  48      14.491  -7.035  -2.017  1.00  0.47           N  
ATOM    198  CA  VAL A  48      15.907  -7.197  -2.375  1.00  0.47           C  
ATOM    199  C   VAL A  48      16.285  -6.391  -3.642  1.00  0.47           C  
ATOM    200  O   VAL A  48      17.477  -6.232  -3.911  1.00  0.47           O  
ATOM    201  CB  VAL A  48      16.300  -8.690  -2.569  1.00  0.47           C  
ATOM    202  CG1 VAL A  48      15.953  -9.537  -1.332  1.00  0.47           C  
ATOM    203  CG2 VAL A  48      15.742  -9.355  -3.833  1.00  0.47           C  
ATOM    204  H   VAL A  48      13.842  -7.694  -2.423  1.00  0.00           H  
ATOM    205  HA  VAL A  48      16.524  -6.808  -1.563  1.00  0.00           H  
ATOM    206  HB  VAL A  48      17.387  -8.721  -2.659  1.00  0.00           H  
ATOM    207 HG11 VAL A  48      16.327 -10.556  -1.435  1.00  0.00           H  
ATOM    208 HG12 VAL A  48      16.396  -9.115  -0.430  1.00  0.00           H  
ATOM    209 HG13 VAL A  48      14.876  -9.598  -1.176  1.00  0.00           H  
ATOM    210 HG21 VAL A  48      16.076 -10.388  -3.906  1.00  0.00           H  
ATOM    211 HG22 VAL A  48      14.653  -9.355  -3.809  1.00  0.00           H  
ATOM    212 HG23 VAL A  48      16.064  -8.860  -4.745  1.00  0.00           H  
ATOM    213  N   CYS A  49      15.276  -5.849  -4.355  1.00  0.51           N  
ATOM    214  CA  CYS A  49      15.411  -4.948  -5.510  1.00  0.51           C  
ATOM    215  C   CYS A  49      15.877  -3.529  -5.122  1.00  0.51           C  
ATOM    216  O   CYS A  49      16.062  -2.691  -6.004  1.00  0.51           O  
ATOM    217  CB  CYS A  49      14.111  -4.865  -6.338  1.00  0.51           C  
ATOM    218  SG  CYS A  49      13.550  -6.513  -6.839  1.00  0.51           S  
ATOM    219  H   CYS A  49      14.325  -6.015  -4.055  1.00  0.00           H  
ATOM    220  HA  CYS A  49      16.189  -5.351  -6.156  1.00  0.00           H  
ATOM    221  HB2 CYS A  49      13.312  -4.384  -5.779  1.00  0.00           H  
ATOM    222  HB3 CYS A  49      14.262  -4.271  -7.240  1.00  0.00           H  
ATOM    223  HG  CYS A  49      12.552  -6.093  -7.621  1.00  0.00           H  
ATOM    224  N   LYS A  50      16.079  -3.288  -3.816  1.00  0.42           N  
ATOM    225  CA  LYS A  50      16.633  -2.064  -3.245  1.00  0.42           C  
ATOM    226  C   LYS A  50      18.154  -1.924  -3.498  1.00  0.42           C  
ATOM    227  O   LYS A  50      18.670  -0.813  -3.387  1.00  0.42           O  
ATOM    228  CB  LYS A  50      16.316  -2.072  -1.732  1.00  0.42           C  
ATOM    229  CG  LYS A  50      16.134  -0.673  -1.109  1.00  0.42           C  
ATOM    230  CD  LYS A  50      14.663  -0.334  -0.799  1.00  0.42           C  
ATOM    231  CE  LYS A  50      14.126  -1.066   0.444  1.00  0.42           C  
ATOM    232  NZ  LYS A  50      12.692  -0.804   0.650  1.00  0.42           N1+
ATOM    233  H   LYS A  50      15.873  -4.025  -3.156  1.00  0.00           H  
ATOM    234  HA  LYS A  50      16.132  -1.216  -3.716  1.00  0.00           H  
ATOM    235  HB2 LYS A  50      15.396  -2.634  -1.567  1.00  0.00           H  
ATOM    236  HB3 LYS A  50      17.078  -2.635  -1.190  1.00  0.00           H  
ATOM    237  HG2 LYS A  50      16.723  -0.603  -0.194  1.00  0.00           H  
ATOM    238  HG3 LYS A  50      16.543   0.090  -1.773  1.00  0.00           H  
ATOM    239  HD2 LYS A  50      14.567   0.743  -0.658  1.00  0.00           H  
ATOM    240  HD3 LYS A  50      14.046  -0.579  -1.665  1.00  0.00           H  
ATOM    241  HE2 LYS A  50      14.260  -2.143   0.348  1.00  0.00           H  
ATOM    242  HE3 LYS A  50      14.674  -0.754   1.334  1.00  0.00           H  
ATOM    243  HZ1 LYS A  50      12.177  -1.126  -0.158  1.00  0.00           H  
ATOM    244  HZ2 LYS A  50      12.371  -1.301   1.468  1.00  0.00           H  
ATOM    245  HZ3 LYS A  50      12.539   0.187   0.773  1.00  0.00           H  
ATOM    246  N   GLY A  51      18.838  -3.038  -3.828  1.00  0.45           N  
ATOM    247  CA  GLY A  51      20.271  -3.079  -4.118  1.00  0.45           C  
ATOM    248  C   GLY A  51      20.511  -2.770  -5.601  1.00  0.45           C  
ATOM    249  O   GLY A  51      21.085  -1.731  -5.925  1.00  0.45           O  
ATOM    250  H   GLY A  51      18.335  -3.911  -3.902  1.00  0.00           H  
ATOM    251  HA2 GLY A  51      20.821  -2.376  -3.488  1.00  0.00           H  
ATOM    252  HA3 GLY A  51      20.651  -4.075  -3.887  1.00  0.00           H  
ATOM    253  N   LYS A  52      20.067  -3.678  -6.483  1.00  0.37           N  
ATOM    254  CA  LYS A  52      20.179  -3.586  -7.944  1.00  0.37           C  
ATOM    255  C   LYS A  52      18.810  -3.877  -8.584  1.00  0.37           C  
ATOM    256  O   LYS A  52      17.887  -4.253  -7.863  1.00  0.37           O  
ATOM    257  CB  LYS A  52      21.287  -4.557  -8.411  1.00  0.37           C  
ATOM    258  CG  LYS A  52      20.936  -6.057  -8.316  1.00  0.37           C  
ATOM    259  CD  LYS A  52      22.164  -6.965  -8.149  1.00  0.37           C  
ATOM    260  CE  LYS A  52      23.199  -6.857  -9.279  1.00  0.37           C  
ATOM    261  NZ  LYS A  52      24.413  -7.622  -8.955  1.00  0.37           N1+
ATOM    262  H   LYS A  52      19.564  -4.485  -6.144  1.00  0.00           H  
ATOM    263  HA  LYS A  52      20.456  -2.572  -8.237  1.00  0.00           H  
ATOM    264  HB2 LYS A  52      21.552  -4.333  -9.445  1.00  0.00           H  
ATOM    265  HB3 LYS A  52      22.187  -4.350  -7.828  1.00  0.00           H  
ATOM    266  HG2 LYS A  52      20.266  -6.235  -7.474  1.00  0.00           H  
ATOM    267  HG3 LYS A  52      20.379  -6.354  -9.205  1.00  0.00           H  
ATOM    268  HD2 LYS A  52      22.637  -6.746  -7.191  1.00  0.00           H  
ATOM    269  HD3 LYS A  52      21.821  -7.997  -8.081  1.00  0.00           H  
ATOM    270  HE2 LYS A  52      22.782  -7.222 -10.217  1.00  0.00           H  
ATOM    271  HE3 LYS A  52      23.496  -5.821  -9.441  1.00  0.00           H  
ATOM    272  HZ1 LYS A  52      24.170  -8.592  -8.788  1.00  0.00           H  
ATOM    273  HZ2 LYS A  52      25.062  -7.568  -9.727  1.00  0.00           H  
ATOM    274  HZ3 LYS A  52      24.842  -7.243  -8.124  1.00  0.00           H  
ATOM    275  N   THR A  53      18.715  -3.681  -9.914  1.00  0.36           N  
ATOM    276  CA  THR A  53      17.500  -3.746 -10.747  1.00  0.36           C  
ATOM    277  C   THR A  53      16.561  -4.941 -10.447  1.00  0.36           C  
ATOM    278  O   THR A  53      15.681  -4.771  -9.604  1.00  0.36           O  
ATOM    279  CB  THR A  53      17.849  -3.683 -12.264  1.00  0.36           C  
ATOM    280  CG2 THR A  53      16.651  -3.669 -13.235  1.00  0.36           C  
ATOM    281  OG1 THR A  53      18.608  -2.515 -12.512  1.00  0.36           O  
ATOM    282  H   THR A  53      19.536  -3.371 -10.413  1.00  0.00           H  
ATOM    283  HA  THR A  53      16.931  -2.845 -10.508  1.00  0.00           H  
ATOM    284  HB  THR A  53      18.494  -4.525 -12.521  1.00  0.00           H  
ATOM    285  HG1 THR A  53      18.706  -2.409 -13.461  1.00  0.00           H  
ATOM    286 HG21 THR A  53      16.984  -3.540 -14.265  1.00  0.00           H  
ATOM    287 HG22 THR A  53      16.073  -4.591 -13.206  1.00  0.00           H  
ATOM    288 HG23 THR A  53      15.970  -2.848 -13.005  1.00  0.00           H  
ATOM    289  N   CYS A  54      16.758  -6.094 -11.116  1.00  0.38           N  
ATOM    290  CA  CYS A  54      15.988  -7.331 -10.955  1.00  0.38           C  
ATOM    291  C   CYS A  54      16.531  -8.384 -11.946  1.00  0.38           C  
ATOM    292  O   CYS A  54      15.858  -8.715 -12.923  1.00  0.38           O  
ATOM    293  CB  CYS A  54      14.445  -7.172 -11.068  1.00  0.38           C  
ATOM    294  SG  CYS A  54      13.486  -8.583 -10.403  1.00  0.38           S1-
ATOM    295  H   CYS A  54      17.509  -6.148 -11.788  1.00  0.00           H  
ATOM    296  HA  CYS A  54      16.191  -7.686  -9.949  1.00  0.00           H  
ATOM    297  HB2 CYS A  54      14.097  -6.296 -10.529  1.00  0.00           H  
ATOM    298  HB3 CYS A  54      14.160  -6.967 -12.101  1.00  0.00           H  
ATOM    299  N   ASP A  55      17.752  -8.879 -11.687  1.00  0.29           N  
ATOM    300  CA  ASP A  55      18.429  -9.919 -12.473  1.00  0.29           C  
ATOM    301  C   ASP A  55      18.552 -11.217 -11.639  1.00  0.29           C  
ATOM    302  O   ASP A  55      17.923 -11.339 -10.587  1.00  0.29           O  
ATOM    303  CB  ASP A  55      19.817  -9.445 -12.985  1.00  0.29           C  
ATOM    304  CG  ASP A  55      20.847  -9.111 -11.896  1.00  0.29           C  
ATOM    305  OD1 ASP A  55      20.499  -8.368 -10.953  1.00  0.29           O  
ATOM    306  OD2 ASP A  55      21.988  -9.600 -12.045  1.00  0.29           O1-
ATOM    307  H   ASP A  55      18.274  -8.535 -10.893  1.00  0.00           H  
ATOM    308  HA  ASP A  55      17.830 -10.180 -13.347  1.00  0.00           H  
ATOM    309  HB2 ASP A  55      20.242 -10.195 -13.653  1.00  0.00           H  
ATOM    310  HB3 ASP A  55      19.698  -8.557 -13.607  1.00  0.00           H  
ATOM    311  N   THR A  56      19.380 -12.161 -12.122  1.00  0.33           N  
ATOM    312  CA  THR A  56      19.770 -13.407 -11.447  1.00  0.33           C  
ATOM    313  C   THR A  56      20.533 -13.186 -10.122  1.00  0.33           C  
ATOM    314  O   THR A  56      20.427 -14.023  -9.226  1.00  0.33           O  
ATOM    315  CB  THR A  56      20.630 -14.280 -12.404  1.00  0.33           C  
ATOM    316  CG2 THR A  56      21.328 -15.515 -11.801  1.00  0.33           C  
ATOM    317  OG1 THR A  56      19.793 -14.735 -13.449  1.00  0.33           O  
ATOM    318  H   THR A  56      19.836 -11.998 -13.009  1.00  0.00           H  
ATOM    319  HA  THR A  56      18.865 -13.952 -11.196  1.00  0.00           H  
ATOM    320  HB  THR A  56      21.397 -13.654 -12.862  1.00  0.00           H  
ATOM    321  HG1 THR A  56      19.144 -15.341 -13.079  1.00  0.00           H  
ATOM    322 HG21 THR A  56      21.796 -16.118 -12.580  1.00  0.00           H  
ATOM    323 HG22 THR A  56      22.116 -15.240 -11.100  1.00  0.00           H  
ATOM    324 HG23 THR A  56      20.615 -16.151 -11.274  1.00  0.00           H  
ATOM    325  N   SER A  57      21.237 -12.049  -9.996  1.00  0.43           N  
ATOM    326  CA  SER A  57      21.896 -11.601  -8.767  1.00  0.43           C  
ATOM    327  C   SER A  57      20.933 -10.854  -7.808  1.00  0.43           C  
ATOM    328  O   SER A  57      21.383 -10.346  -6.781  1.00  0.43           O  
ATOM    329  CB  SER A  57      23.117 -10.755  -9.186  1.00  0.43           C  
ATOM    330  OG  SER A  57      23.980 -10.442  -8.112  1.00  0.43           O  
ATOM    331  H   SER A  57      21.277 -11.402 -10.774  1.00  0.00           H  
ATOM    332  HA  SER A  57      22.265 -12.477  -8.231  1.00  0.00           H  
ATOM    333  HB2 SER A  57      23.702 -11.282  -9.941  1.00  0.00           H  
ATOM    334  HB3 SER A  57      22.784  -9.822  -9.637  1.00  0.00           H  
ATOM    335  HG  SER A  57      24.348 -11.260  -7.768  1.00  0.00           H  
ATOM    336  N   CYS A  58      19.633 -10.803  -8.149  1.00  0.52           N  
ATOM    337  CA  CYS A  58      18.582 -10.109  -7.415  1.00  0.52           C  
ATOM    338  C   CYS A  58      17.473 -11.126  -7.081  1.00  0.52           C  
ATOM    339  O   CYS A  58      17.674 -11.895  -6.144  1.00  0.52           O  
ATOM    340  CB  CYS A  58      18.131  -8.857  -8.189  1.00  0.52           C  
ATOM    341  SG  CYS A  58      17.034  -7.812  -7.204  1.00  0.52           S  
ATOM    342  H   CYS A  58      19.333 -11.257  -9.001  1.00  0.00           H  
ATOM    343  HA  CYS A  58      18.973  -9.767  -6.455  1.00  0.00           H  
ATOM    344  HB2 CYS A  58      18.994  -8.259  -8.478  1.00  0.00           H  
ATOM    345  HB3 CYS A  58      17.627  -9.145  -9.105  1.00  0.00           H  
ATOM    346  HG  CYS A  58      16.852  -6.867  -8.132  1.00  0.00           H  
ATOM    347  N   CYS A  59      16.344 -11.132  -7.819  1.00  0.52           N  
ATOM    348  CA  CYS A  59      15.189 -12.007  -7.562  1.00  0.52           C  
ATOM    349  C   CYS A  59      15.143 -13.256  -8.454  1.00  0.52           C  
ATOM    350  O   CYS A  59      14.526 -14.239  -8.041  1.00  0.52           O  
ATOM    351  CB  CYS A  59      13.856 -11.264  -7.726  1.00  0.52           C  
ATOM    352  SG  CYS A  59      13.656 -10.098  -6.367  1.00  0.52           S  
ATOM    353  H   CYS A  59      16.239 -10.473  -8.577  1.00  0.00           H  
ATOM    354  HA  CYS A  59      15.227 -12.370  -6.536  1.00  0.00           H  
ATOM    355  HB2 CYS A  59      13.815 -10.738  -8.677  1.00  0.00           H  
ATOM    356  HB3 CYS A  59      13.006 -11.947  -7.701  1.00  0.00           H  
ATOM    357  HG  CYS A  59      14.558  -9.213  -6.805  1.00  0.00           H  
ATOM    358  N   GLN A  60      15.761 -13.208  -9.645  1.00  0.44           N  
ATOM    359  CA  GLN A  60      15.710 -14.284 -10.651  1.00  0.44           C  
ATOM    360  C   GLN A  60      16.740 -15.442 -10.368  1.00  0.44           C  
ATOM    361  O   GLN A  60      17.363 -15.388  -9.280  1.00  0.44           O  
ATOM    362  CB  GLN A  60      15.911 -13.704 -12.087  1.00  0.44           C  
ATOM    363  CG  GLN A  60      15.114 -12.421 -12.430  1.00  0.44           C  
ATOM    364  CD  GLN A  60      13.603 -12.553 -12.224  1.00  0.44           C  
ATOM    365  NE2 GLN A  60      12.982 -11.565 -11.577  1.00  0.44           N  
ATOM    366  OE1 GLN A  60      12.994 -13.523 -12.667  1.00  0.44           O  
ATOM    367  OXT GLN A  60      16.816 -16.301 -11.274  1.00  0.44           O1-
ATOM    368  H   GLN A  60      16.272 -12.377  -9.913  1.00  0.00           H  
ATOM    369  HA  GLN A  60      14.723 -14.752 -10.641  1.00  0.00           H  
ATOM    370  HB2 GLN A  60      16.961 -13.493 -12.268  1.00  0.00           H  
ATOM    371  HB3 GLN A  60      15.651 -14.471 -12.819  1.00  0.00           H  
ATOM    372  HG2 GLN A  60      15.484 -11.583 -11.838  1.00  0.00           H  
ATOM    373  HG3 GLN A  60      15.293 -12.149 -13.471  1.00  0.00           H  
ATOM    374 HE21 GLN A  60      13.485 -10.746 -11.254  1.00  0.00           H  
ATOM    375 HE22 GLN A  60      11.984 -11.605 -11.436  1.00  0.00           H  
TER     376      GLN A  60 
HETATM  377  N   UNK     0      11.983  -8.903 -12.569  0.00  0.00           N1+
HETATM  378  C   UNK     0      10.348 -10.796 -12.334  0.00  0.00           C  
HETATM  379  O   UNK     0      10.731 -10.514 -11.003  0.00  0.00           O  
HETATM  380  N01 UNK     0       5.768  -6.948 -12.054  0.00  0.00           N1+
HETATM  381  C02 UNK     0       6.515  -7.512 -13.278  0.00  0.00           C  
HETATM  382  C03 UNK     0       4.226  -7.062 -12.036  0.00  0.00           C  
HETATM  383  C04 UNK     0       3.806  -8.477 -12.486  0.00  0.00           C  
HETATM  384  C05 UNK     0       3.600  -5.905 -12.870  0.00  0.00           C  
HETATM  385  C06 UNK     0       3.522  -6.103 -14.410  0.00  0.00           C  
HETATM  386  C07 UNK     0       7.280  -8.779 -12.845  0.00  0.00           C  
HETATM  387  C08 UNK     0       8.135  -9.399 -13.969  0.00  0.00           C  
HETATM  388  C09 UNK     0      10.630  -9.435 -14.582  0.00  0.00           C  
HETATM  389  C10 UNK     0      11.295 -10.054 -13.323  0.00  0.00           C  
HETATM  390  C11 UNK     0       9.386  -8.565 -14.302  0.00  0.00           C  
HETATM  391  O12 UNK     0      10.326 -12.177 -12.613  0.00  0.00           O  
HETATM  392  O13 UNK     0       7.393  -6.525 -13.780  0.00  0.00           O  
HETATM  393  O14 UNK     0       4.307  -4.709 -12.576  0.00  0.00           O  
HETATM  394  F   UNK     0       4.718  -5.923 -14.973  0.00  0.00           F  
HETATM  395  F15 UNK     0       3.114  -7.327 -14.747  0.00  0.00           F  
HETATM  396  F16 UNK     0       2.691  -5.233 -14.982  0.00  0.00           F  
HETATM  397  H   UNK     0      12.669  -8.452 -13.158  0.00  0.00           H  
HETATM  398 HO12 UNK     0      11.228 -12.505 -12.630  1.00  0.00           H  
HETATM  399 HO13 UNK     0       7.299  -5.725 -13.256  1.00  0.00           H  
HETATM  400  HXT UNK     0       9.329 -10.429 -12.464  1.00  0.00           H  
HETATM  401  H1  UNK     0      11.301  -8.217 -12.278  1.00  0.00           H  
HETATM  402  H2  UNK     0       6.039  -5.986 -11.913  1.00  0.00           H  
HETATM  403  H02 UNK     0       5.731  -7.744 -14.001  1.00  0.00           H  
HETATM  404  H17 UNK     0       6.102  -7.466 -11.253  0.00  0.00           H  
HETATM  405  H18 UNK     0       3.954  -6.921 -10.988  0.00  0.00           H  
HETATM  406  H19 UNK     0       2.722  -8.553 -12.575  0.00  0.00           H  
HETATM  407  H20 UNK     0       4.235  -8.747 -13.451  0.00  0.00           H  
HETATM  408  H21 UNK     0       4.117  -9.241 -11.774  0.00  0.00           H  
HETATM  409  H22 UNK     0       2.583  -5.750 -12.505  0.00  0.00           H  
HETATM  410  H23 UNK     0       7.919  -8.549 -11.989  0.00  0.00           H  
HETATM  411  H24 UNK     0       6.568  -9.529 -12.497  0.00  0.00           H  
HETATM  412  H25 UNK     0       8.436 -10.407 -13.679  0.00  0.00           H  
HETATM  413  H26 UNK     0       7.528  -9.509 -14.869  0.00  0.00           H  
HETATM  414  H27 UNK     0       5.238  -4.838 -12.781  0.00  0.00           H  
HETATM  415  H28 UNK     0      10.314 -10.237 -15.253  0.00  0.00           H  
HETATM  416  H29 UNK     0      11.365  -8.856 -15.142  0.00  0.00           H  
HETATM  417  H30 UNK     0      12.136 -10.691 -13.605  0.00  0.00           H  
HETATM  418  H31 UNK     0       9.163  -7.936 -15.163  0.00  0.00           H  
HETATM  419  H32 UNK     0       9.597  -7.886 -13.474  0.00  0.00           H  
HETATM  420  H33 UNK     0      10.888  -9.570 -10.919  0.00  0.00           H  
HETATM  421  H34 UNK     0      12.447  -9.265 -11.746  0.00  0.00           H  
CONECT  377  389  397  401  421
CONECT  378  379  389  391  400
CONECT  379  378  420
CONECT  380  381  382  402  404
CONECT  381  380  386  392  403
CONECT  382  380  383  384  405
CONECT  383  382  406  407  408
CONECT  384  382  385  393  409
CONECT  385  384  394  395  396
CONECT  386  381  387  410  411
CONECT  387  386  390  412  413
CONECT  388  389  390  415  416
CONECT  389  377  378  388  417
CONECT  390  387  388  418  419
CONECT  391  378  398
CONECT  392  381  399
CONECT  393  384  414
CONECT  394  385
CONECT  395  385
CONECT  396  385
CONECT  397  377
CONECT  398  391
CONECT  399  392
CONECT  400  378
CONECT  401  377
CONECT  402  380
CONECT  403  381
CONECT  404  380
CONECT  405  382
CONECT  406  383
CONECT  407  383
CONECT  408  383
CONECT  409  384
CONECT  410  386
CONECT  411  386
CONECT  412  387
CONECT  413  387
CONECT  414  393
CONECT  415  388
CONECT  416  388
CONECT  417  389
CONECT  418  390
CONECT  419  390
CONECT  420  379
CONECT  421  377
END



If you find results from this site helpful for your research, please cite one of our papers:

elNémo is maintained by Yves-Henri Sanejouand.
It was developed by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: October 18th, 2018.