CNRS Nantes University US2B US2B
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***    ***

elNémo ID: 2403061220191900826

Job options:

ID        	=	 2403061220191900826
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:


REMARK    GENERATED BY TRJCONV
TITLE     Protein in water t= 500000.00000 step= 250000000
REMARK    THIS IS A SIMULATION BOX
CRYST1   93.340   93.340   93.340  90.00  90.00  90.00 P 1           1
MODEL        1
ATOM      1  CA  MET A   1      34.385  36.775  50.105  1.00  0.00           C
ATOM      2  CA  ALA A   2      35.575  33.105  49.925  1.00  0.00           C
ATOM      3  CA  ASP A   3      34.605  31.915  52.455  1.00  0.00           C
ATOM      4  CA  LYS A   4      32.695  32.115  55.785  1.00  0.00           C
ATOM      5  CA  ALA A   5      31.945  28.325  55.415  1.00  0.00           C
ATOM      6  CA  LYS A   6      34.715  25.755  56.105  1.00  0.00           C
ATOM      7  CA  PRO A   7      36.505  23.345  55.285  1.00  0.00           C
ATOM      8  CA  ALA A   8      37.735  23.885  51.675  1.00  0.00           C
ATOM      9  CA  LYS A   9      36.195  20.725  49.865  1.00  0.00           C
ATOM     10  CA  ALA A  10      37.175  20.105  46.925  1.00  0.00           C
ATOM     11  CA  ALA A  11      40.895  19.835  47.875  1.00  0.00           C
ATOM     12  CA  ASN A  12      41.545  20.825  44.225  1.00  0.00           C
ATOM     13  CA  ARG A  13      42.455  24.645  44.485  1.00  0.00           C
ATOM     14  CA  THR A  14      41.575  26.195  41.045  1.00  0.00           C
ATOM     15  CA  PRO A  15      43.775  28.815  39.535  1.00  0.00           C
ATOM     16  CA  PRO A  16      44.095  32.475  40.585  1.00  0.00           C
ATOM     17  CA  LYS A  17      42.075  34.545  37.985  1.00  0.00           C
ATOM     18  CA  SER A  18      39.725  36.595  40.155  1.00  0.00           C
ATOM     19  CA  PRO A  19      37.805  39.425  38.355  1.00  0.00           C
ATOM     20  CA  GLY A  20      36.755  41.105  41.705  1.00  0.00           C
ATOM     21  CA  ASP A  21      34.095  40.695  44.535  1.00  0.00           C
ATOM     22  CA  PRO A  22      30.985  40.125  44.205  1.00  0.00           C
ATOM     23  CA  SER A  23      31.295  37.505  41.445  1.00  0.00           C
ATOM     24  CA  LYS A  24      31.465  33.895  42.805  1.00  0.00           C
ATOM     25  CA  ASP A  25      32.645  32.455  46.185  1.00  0.00           C
ATOM     26  CA  ARG A  26      31.605  28.755  45.855  1.00  0.00           C
ATOM     27  CA  ALA A  27      31.445  26.285  42.975  1.00  0.00           C
ATOM     28  CA  ALA A  28      28.915  23.645  41.525  1.00  0.00           C
ATOM     29  CA  LYS A  29      27.075  22.015  43.495  1.00  0.00           C
ATOM     30  CA  ARG A  30      27.925  23.675  46.825  1.00  0.00           C
ATOM     31  CA  LEU A  31      31.715  23.015  46.925  1.00  0.00           C
ATOM     32  CA  SER A  32      34.305  25.685  47.945  1.00  0.00           C
ATOM     33  CA  LEU A  33      36.155  27.905  45.405  1.00  0.00           C
ATOM     34  CA  GLU A  34      39.145  28.215  47.715  1.00  0.00           C
ATOM     35  CA  SER A  35      41.895  30.065  45.545  1.00  0.00           C
ATOM     36  CA  GLU A  36      44.095  33.325  45.415  1.00  0.00           C
ATOM     37  CA  GLY A  37      43.395  36.525  43.255  1.00  0.00           C
ATOM     38  CA  ALA A  38      45.725  37.255  40.285  1.00  0.00           C
ATOM     39  CA  GLY A  39      48.365  34.935  39.005  1.00  0.00           C
ATOM     40  CA  GLU A  40      50.035  35.095  35.645  1.00  0.00           C
ATOM     41  CA  GLY A  41      48.695  37.375  32.945  1.00  0.00           C
ATOM     42  CA  ALA A  42      48.315  40.975  32.215  1.00  0.00           C
ATOM     43  CA  ALA A  43      48.155  44.105  34.425  1.00  0.00           C
ATOM     44  CA  ALA A  44      47.495  46.565  31.605  1.00  0.00           C
ATOM     45  CA  SER A  45      45.355  48.995  33.585  1.00  0.00           C
ATOM     46  CA  PRO A  46      46.465  51.025  36.675  1.00  0.00           C
ATOM     47  CA  GLU A  47      45.655  49.645  40.185  1.00  0.00           C
ATOM     48  CA  LEU A  48      43.595  52.605  41.655  1.00  0.00           C
ATOM     49  CA  SER A  49      43.945  56.085  40.175  1.00  0.00           C
ATOM     50  CA  ALA A  50      40.465  57.795  40.495  1.00  0.00           C
ATOM     51  CA  LEU A  51      38.155  58.575  43.415  1.00  0.00           C
ATOM     52  CA  GLU A  52      34.945  56.655  42.245  1.00  0.00           C
ATOM     53  CA  GLU A  53      37.115  53.495  42.005  1.00  0.00           C
ATOM     54  CA  ALA A  54      38.415  54.195  45.575  1.00  0.00           C
ATOM     55  CA  PHE A  55      34.655  54.725  46.615  1.00  0.00           C
ATOM     56  CA  ARG A  56      33.815  51.115  45.455  1.00  0.00           C
ATOM     57  CA  ARG A  57      36.925  49.805  47.385  1.00  0.00           C
ATOM     58  CA  PHE A  58      36.435  51.625  50.705  1.00  0.00           C
ATOM     59  CA  ALA A  59      33.195  53.495  51.095  1.00  0.00           C
ATOM     60  CA  VAL A  60      30.945  50.635  50.145  1.00  0.00           C
ATOM     61  CA  HIS A  61      33.375  47.615  50.215  1.00  0.00           C
ATOM     62  CA  GLY A  62      36.135  46.225  52.345  1.00  0.00           C
ATOM     63  CA  ASP A  63      34.135  45.105  55.445  1.00  0.00           C
ATOM     64  CA  ALA A  64      30.765  44.165  53.765  1.00  0.00           C
ATOM     65  CA  ARG A  65      29.205  44.635  50.245  1.00  0.00           C
ATOM     66  CA  ALA A  66      26.825  47.585  49.795  1.00  0.00           C
ATOM     67  CA  THR A  67      25.705  49.945  46.965  1.00  0.00           C
ATOM     68  CA  GLY A  68      24.505  53.515  46.195  1.00  0.00           C
ATOM     69  CA  ARG A  69      25.925  57.165  46.155  1.00  0.00           C
ATOM     70  CA  GLU A  70      26.205  57.425  50.045  1.00  0.00           C
ATOM     71  CA  MET A  71      29.015  55.735  52.125  1.00  0.00           C
ATOM     72  CA  HIS A  72      28.065  52.625  54.185  1.00  0.00           C
ATOM     73  CA  GLY A  73      28.665  53.195  57.955  1.00  0.00           C
ATOM     74  CA  LYS A  74      30.095  49.735  58.735  1.00  0.00           C
ATOM     75  CA  ASN A  75      32.735  49.915  55.945  1.00  0.00           C
ATOM     76  CA  TRP A  76      34.185  53.275  57.305  1.00  0.00           C
ATOM     77  CA  SER A  77      34.585  51.625  60.755  1.00  0.00           C
ATOM     78  CA  LYS A  78      38.535  51.555  60.775  1.00  0.00           C
ATOM     79  CA  LEU A  79      39.255  54.135  58.005  1.00  0.00           C
ATOM     80  CA  CYS A  80      37.455  56.745  60.185  1.00  0.00           C
ATOM     81  CA  LYS A  81      40.365  56.105  62.675  1.00  0.00           C
ATOM     82  CA  ASP A  82      43.105  55.175  60.145  1.00  0.00           C
ATOM     83  CA  CYS A  83      43.315  57.345  56.975  1.00  0.00           C
ATOM     84  CA  GLN A  84      46.575  59.265  55.835  1.00  0.00           C
ATOM     85  CA  VAL A  85      44.795  62.665  56.435  1.00  0.00           C
ATOM     86  CA  ILE A  86      45.845  62.065  60.025  1.00  0.00           C
ATOM     87  CA  ASP A  87      49.545  62.985  60.895  1.00  0.00           C
ATOM     88  CA  GLY A  88      48.505  62.425  64.555  1.00  0.00           C
ATOM     89  CA  ARG A  89      48.775  65.945  65.985  1.00  0.00           C
ATOM     90  CA  ASN A  90      47.745  68.615  63.295  1.00  0.00           C
ATOM     91  CA  VAL A  91      44.995  66.145  62.275  1.00  0.00           C
ATOM     92  CA  THR A  92      44.225  63.725  65.275  1.00  0.00           C
ATOM     93  CA  VAL A  93      42.305  60.435  65.205  1.00  0.00           C
ATOM     94  CA  THR A  94      38.785  61.675  66.375  1.00  0.00           C
ATOM     95  CA  ASP A  95      39.165  65.055  64.435  1.00  0.00           C
ATOM     96  CA  VAL A  96      38.535  63.485  61.045  1.00  0.00           C
ATOM     97  CA  ASP A  97      35.425  61.455  62.435  1.00  0.00           C
ATOM     98  CA  ILE A  98      33.485  64.785  62.975  1.00  0.00           C
ATOM     99  CA  VAL A  99      33.945  65.545  59.175  1.00  0.00           C
ATOM    100  CA  PHE A 100      33.095  61.895  58.055  1.00  0.00           C
ATOM    101  CA  SER A 101      29.805  61.985  60.055  1.00  0.00           C
ATOM    102  CA  LYS A 102      28.735  65.755  59.355  1.00  0.00           C
ATOM    103  CA  ILE A 103      25.105  64.755  58.575  1.00  0.00           C
ATOM    104  CA  LYS A 104      22.385  66.675  60.565  1.00  0.00           C
ATOM    105  CA  GLY A 105      19.495  64.155  61.395  1.00  0.00           C
ATOM    106  CA  LYS A 106      21.535  61.075  62.375  1.00  0.00           C
ATOM    107  CA  SER A 107      25.145  60.615  63.475  1.00  0.00           C
ATOM    108  CA  CYS A 108      26.405  57.575  61.475  1.00  0.00           C
ATOM    109  CA  ARG A 109      29.615  57.465  59.235  1.00  0.00           C
ATOM    110  CA  THR A 110      27.535  57.765  56.035  1.00  0.00           C
ATOM    111  CA  ILE A 111      28.215  60.965  53.885  1.00  0.00           C
ATOM    112  CA  THR A 112      27.265  61.305  50.155  1.00  0.00           C
ATOM    113  CA  PHE A 113      29.825  60.805  47.355  1.00  0.00           C
ATOM    114  CA  GLU A 114      29.435  64.675  46.625  1.00  0.00           C
ATOM    115  CA  GLN A 115      30.605  65.685  50.095  1.00  0.00           C
ATOM    116  CA  PHE A 116      33.165  62.695  50.115  1.00  0.00           C
ATOM    117  CA  GLN A 117      35.415  64.935  47.775  1.00  0.00           C
ATOM    118  CA  GLU A 118      34.645  67.935  50.205  1.00  0.00           C
ATOM    119  CA  ALA A 119      35.425  65.895  53.485  1.00  0.00           C
ATOM    120  CA  LEU A 120      38.725  64.485  52.085  1.00  0.00           C
ATOM    121  CA  GLU A 121      39.665  67.995  50.585  1.00  0.00           C
ATOM    122  CA  GLU A 122      39.145  69.535  54.085  1.00  0.00           C
ATOM    123  CA  LEU A 123      41.025  66.985  56.115  1.00  0.00           C
ATOM    124  CA  ALA A 124      44.045  66.775  53.515  1.00  0.00           C
ATOM    125  CA  LYS A 125      44.315  70.735  53.165  1.00  0.00           C
ATOM    126  CA  LYS A 126      44.315  70.845  57.055  1.00  0.00           C
ATOM    127  CA  ARG A 127      47.485  68.505  57.275  1.00  0.00           C
ATOM    128  CA  PHE A 128      49.525  69.245  54.035  1.00  0.00           C
ATOM    129  CA  LYS A 129      49.955  73.075  54.735  1.00  0.00           C
ATOM    130  CA  ASP A 130      53.395  73.225  53.005  1.00  0.00           C
ATOM    131  CA  LYS A 131      54.635  73.505  49.395  1.00  0.00           C
ATOM    132  CA  SER A 132      55.945  69.825  48.985  1.00  0.00           C
ATOM    133  CA  SER A 133      52.535  68.395  50.025  1.00  0.00           C
ATOM    134  CA  GLU A 134      50.425  70.875  47.965  1.00  0.00           C
ATOM    135  CA  GLU A 135      49.355  68.215  45.495  1.00  0.00           C
ATOM    136  CA  ALA A 136      48.545  65.725  48.355  1.00  0.00           C
ATOM    137  CA  VAL A 137      45.405  67.985  48.865  1.00  0.00           C
ATOM    138  CA  ARG A 138      44.485  66.905  45.315  1.00  0.00           C
ATOM    139  CA  GLU A 139      45.555  63.145  45.635  1.00  0.00           C
ATOM    140  CA  VAL A 140      42.425  62.625  47.945  1.00  0.00           C
ATOM    141  CA  HIS A 141      41.545  59.105  46.595  1.00  0.00           C
ATOM    142  CA  ARG A 142      45.125  57.695  47.445  1.00  0.00           C
ATOM    143  CA  LEU A 143      45.055  58.835  51.095  1.00  0.00           C
ATOM    144  CA  ILE A 144      42.855  55.905  52.135  1.00  0.00           C
ATOM    145  CA  GLU A 145      45.495  53.075  51.985  1.00  0.00           C
ATOM    146  CA  GLY A 146      44.625  49.855  53.655  1.00  0.00           C
ATOM    147  CA  LYS A 147      44.755  46.175  52.485  1.00  0.00           C
ATOM    148  CA  ALA A 148      42.995  46.315  49.015  1.00  0.00           C
ATOM    149  CA  PRO A 149      42.065  43.215  46.775  1.00  0.00           C
ATOM    150  CA  ILE A 150      44.245  41.705  44.075  1.00  0.00           C
ATOM    151  CA  ILE A 151      42.185  41.535  40.765  1.00  0.00           C
ATOM    152  CA  SER A 152      43.505  39.605  37.705  1.00  0.00           C
ATOM    153  CA  GLY A 153      44.055  42.435  35.205  1.00  0.00           C
ATOM    154  CA  VAL A 154      45.015  45.445  37.395  1.00  0.00           C
ATOM    155  CA  THR A 155      47.705  43.265  39.065  1.00  0.00           C
ATOM    156  CA  LYS A 156      49.545  40.005  38.455  1.00  0.00           C
ATOM    157  CA  ALA A 157      51.495  37.645  40.785  1.00  0.00           C
ATOM    158  CA  ILE A 158      55.295  37.525  40.295  1.00  0.00           C
ATOM    159  CA  SER A 159      57.635  35.245  42.395  1.00  0.00           C
ATOM    160  CA  SER A 160      59.055  36.675  45.725  1.00  0.00           C
ATOM    161  CA  PRO A 161      62.835  37.105  45.825  1.00  0.00           C
ATOM    162  CA  THR A 162      65.155  36.895  49.055  1.00  0.00           C
ATOM    163  CA  VAL A 163      65.015  40.755  49.045  1.00  0.00           C
ATOM    164  CA  SER A 164      62.475  42.755  51.165  1.00  0.00           C
ATOM    165  CA  ARG A 165      61.545  46.505  51.425  1.00  0.00           C
ATOM    166  CA  LEU A 166      63.325  48.905  53.925  1.00  0.00           C
ATOM    167  CA  THR A 167      61.435  51.675  56.015  1.00  0.00           C
ATOM    168  CA  ASP A 168      64.645  53.635  55.535  1.00  0.00           C
ATOM    169  CA  THR A 169      64.825  55.245  52.005  1.00  0.00           C
ATOM    170  CA  THR A 170      68.595  55.935  51.645  1.00  0.00           C
ATOM    171  CA  LYS A 171      69.765  52.645  49.775  1.00  0.00           C
ATOM    172  CA  PHE A 172      66.705  50.585  48.785  1.00  0.00           C
ATOM    173  CA  THR A 173      65.205  53.475  46.825  1.00  0.00           C
ATOM    174  CA  GLY A 174      63.475  54.165  43.505  1.00  0.00           C
ATOM    175  CA  SER A 175      60.015  53.755  41.715  1.00  0.00           C
ATOM    176  CA  HIS A 176      60.545  49.965  41.005  1.00  0.00           C
ATOM    177  CA  LYS A 177      59.135  48.625  44.385  1.00  0.00           C
ATOM    178  CA  GLU A 178      55.695  49.815  43.285  1.00  0.00           C
ATOM    179  CA  ARG A 179      55.865  48.285  39.755  1.00  0.00           C
ATOM    180  CA  PHE A 180      57.075  44.965  41.305  1.00  0.00           C
ATOM    181  CA  ASP A 181      56.735  44.505  45.135  1.00  0.00           C
ATOM    182  CA  PRO A 182      59.065  41.935  47.015  1.00  0.00           C
ATOM    183  CA  SER A 183      55.825  40.255  48.465  1.00  0.00           C
ATOM    184  CA  GLY A 184      55.415  39.245  44.735  1.00  0.00           C
ATOM    185  CA  LYS A 185      52.705  41.805  43.695  1.00  0.00           C
ATOM    186  CA  GLY A 186      53.185  43.165  40.195  1.00  0.00           C
ATOM    187  CA  LYS A 187      51.235  46.155  38.695  1.00  0.00           C
ATOM    188  CA  GLY A 188      51.495  49.155  36.285  1.00  0.00           C
ATOM    189  CA  LYS A 189      51.865  47.805  32.755  1.00  0.00           C
ATOM    190  CA  ALA A 190      54.105  44.555  32.995  1.00  0.00           C
ATOM    191  CA  GLY A 191      57.535  43.865  31.145  1.00  0.00           C
ATOM    192  CA  ARG A 192      61.105  43.455  32.625  1.00  0.00           C
ATOM    193  CA  VAL A 193      62.025  47.065  31.625  1.00  0.00           C
ATOM    194  CA  ASP A 194      59.275  48.455  34.005  1.00  0.00           C
ATOM    195  CA  LEU A 195      59.135  45.485  36.365  1.00  0.00           C
ATOM    196  CA  VAL A 196      62.615  46.355  37.715  1.00  0.00           C
ATOM    197  CA  ASP A 197      64.015  44.435  40.715  1.00  0.00           C
ATOM    198  CA  GLU A 198      67.015  44.895  42.965  1.00  0.00           C
ATOM    199  CA  SER A 199      69.025  41.725  42.105  1.00  0.00           C
ATOM    200  CA  GLY A 200      68.025  40.575  38.565  1.00  0.00           C
ATOM    201  CA  TYR A 201      65.245  38.185  39.605  1.00  0.00           C
ATOM    202  CA  VAL A 202      62.795  39.315  36.805  1.00  0.00           C
ATOM    203  CA  SER A 203      64.735  42.255  35.375  1.00  0.00           C
ATOM    204  CA  GLY A 204      68.105  40.645  34.545  1.00  0.00           C
ATOM    205  CA  TYR A 205      68.575  37.905  31.865  1.00  0.00           C
ATOM    206  CA  LYS A 206      72.385  37.465  31.345  1.00  0.00           C
ATOM    207  CA  HIS A 207      72.385  34.985  34.365  1.00  0.00           C
ATOM    208  CA  ALA A 208      72.495  31.345  33.185  1.00  0.00           C
ATOM    209  CA  GLY A 209      71.065  29.905  36.455  1.00  0.00           C
ATOM    210  CA  THR A 210      68.445  31.175  39.155  1.00  0.00           C
ATOM    211  CA  TYR A 211      71.165  30.015  41.575  1.00  0.00           C
ATOM    212  CA  ASP A 212      73.305  33.185  40.605  1.00  0.00           C
ATOM    213  CA  GLN A 213      71.025  36.105  39.695  1.00  0.00           C
ATOM    214  CA  LYS A 214      72.485  39.285  37.995  1.00  0.00           C
ATOM    215  CA  VAL A 215      70.785  42.595  36.895  1.00  0.00           C
ATOM    216  CA  GLN A 216      72.425  42.555  33.375  1.00  0.00           C
ATOM    217  CA  GLY A 217      70.965  41.585  30.005  1.00  0.00           C
ATOM    218  CA  GLY A 218      72.555  39.775  26.965  1.00  0.00           C
ATOM    219  CA  LYS A 219      73.845  36.035  27.145  1.00  0.00           C
TER
ENDMDL



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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: April 25th, 2023.