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***  without_ca_sim2  ***

elNémo ID: 21010710030744224

Job options:

ID        	=	 21010710030744224
JOBID     	=	 without_ca_sim2
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:

HEADER without_ca_sim2

TITLE     Protein in water t=   0.00000 step= 0
REMARK    THIS IS A SIMULATION BOX
CRYST1   80.452   80.452   80.452  60.00  60.00  90.00 P 1           1
MODEL        1
ATOM      5  CA  ALA A   2      54.890  63.110   9.460  1.00  0.00           C
ATOM     15  CA  CYS A   3      55.170  61.820  13.110  1.00  0.00           C
ATOM     34  CA  PRO A   4      58.780  62.230  14.190  1.00  0.00           C
ATOM     40  CA  LEU A   5      57.990  61.270  17.940  1.00  0.00           C
ATOM     59  CA  GLU A   6      57.560  57.480  16.870  1.00  0.00           C
ATOM     74  CA  LYS A   7      61.350  57.210  16.160  1.00  0.00           C
ATOM     96  CA  ALA A   8      62.430  59.190  19.300  1.00  0.00           C
ATOM    106  CA  LEU A   9      60.380  56.570  21.220  1.00  0.00           C
ATOM    125  CA  ASP A  10      61.980  53.840  19.140  1.00  0.00           C
ATOM    137  CA  VAL A  11      65.480  55.100  20.000  1.00  0.00           C
ATOM    153  CA  MET A  12      64.670  55.310  23.830  1.00  0.00           C
ATOM    170  CA  VAL A  13      64.030  51.490  23.580  1.00  0.00           C
ATOM    186  CA  SER A  14      66.670  50.340  21.050  1.00  0.00           C
ATOM    197  CA  THR A  15      69.590  52.170  22.610  1.00  0.00           C
ATOM    211  CA  PHE A  16      68.670  50.480  25.960  1.00  0.00           C
ATOM    231  CA  HIS A  17      68.670  46.950  24.410  1.00  0.00           C
ATOM    248  CA  LYS A  18      72.240  47.900  23.180  1.00  0.00           C
ATOM    270  CA  TYR A  19      73.440  48.670  26.670  1.00  0.00           C
ATOM    291  CA  SER A  20      71.620  45.410  27.720  1.00  0.00           C
ATOM    302  CA  GLY A  21      74.100  43.610  25.530  1.00  0.00           C
ATOM    309  CA  LYS A  22      76.890  44.200  28.070  1.00  0.00           C
ATOM    331  CA  GLU A  23      75.380  41.800  30.700  1.00  0.00           C
ATOM    346  CA  GLY A  24      71.880  40.150  30.240  1.00  0.00           C
ATOM    353  CA  ASP A  25      68.920  41.920  31.800  1.00  0.00           C
ATOM    365  CA  LYS A  26      66.480  43.920  29.570  1.00  0.00           C
ATOM    387  CA  PHE A  27      63.400  43.230  31.870  1.00  0.00           C
ATOM    407  CA  LYS A  28      65.320  45.450  34.450  1.00  0.00           C
ATOM    429  CA  LEU A  29      68.620  47.540  34.880  1.00  0.00           C
ATOM    448  CA  ASN A  30      70.730  48.410  37.970  1.00  0.00           C
ATOM    462  CA  LYS A  31      70.990  52.060  39.290  1.00  0.00           C
ATOM    484  CA  SER A  32      74.700  51.820  39.220  1.00  0.00           C
ATOM    495  CA  GLU A  33      74.720  51.340  35.380  1.00  0.00           C
ATOM    510  CA  LEU A  34      72.910  54.750  35.090  1.00  0.00           C
ATOM    529  CA  LYS A  35      76.190  56.620  35.670  1.00  0.00           C
ATOM    551  CA  GLU A  36      78.120  54.650  32.960  1.00  0.00           C
ATOM    566  CA  LEU A  37      75.090  54.480  30.580  1.00  0.00           C
ATOM    585  CA  LEU A  38      74.610  58.300  30.860  1.00  0.00           C
ATOM    604  CA  THR A  39      78.370  58.950  30.380  1.00  0.00           C
ATOM    618  CA  ARG A  40      78.430  56.940  27.150  1.00  0.00           C
ATOM    642  CA  GLU A  41      74.870  58.120  25.870  1.00  0.00           C
ATOM    657  CA  LEU A  42      75.270  61.850  26.820  1.00  0.00           C
ATOM    684  CA  PRO A  43      79.030  62.390  27.620  1.00  0.00           C
ATOM    690  CA  SER A  44      80.870  65.840  27.210  1.00  0.00           C
ATOM    701  CA  PHE A  45      78.110  67.450  24.990  1.00  0.00           C
ATOM    721  CA  LEU A  46      75.980  67.380  28.200  1.00  0.00           C
ATOM    740  CA  GLY A  47      79.110  67.030  30.430  1.00  0.00           C
ATOM    747  CA  LYS A  48      80.510  70.320  29.310  1.00  0.00           C
ATOM    769  CA  ARG A  49      80.160  73.750  31.180  1.00  0.00           C
ATOM    793  CA  THR A  50      76.550  74.810  32.000  1.00  0.00           C
ATOM    807  CA  ASP A  51      75.390  73.750  35.570  1.00  0.00           C
ATOM    819  CA  GLU A  52      78.390  71.300  36.290  1.00  0.00           C
ATOM    834  CA  ALA A  53      77.190  70.320  39.840  1.00  0.00           C
ATOM    844  CA  ALA A  54      73.820  69.030  38.200  1.00  0.00           C
ATOM    854  CA  PHE A  55      75.740  65.820  37.260  1.00  0.00           C
ATOM    874  CA  GLN A  56      76.960  65.610  40.900  1.00  0.00           C
ATOM    891  CA  LYS A  57      73.320  65.890  42.120  1.00  0.00           C
ATOM    913  CA  LEU A  58      72.150  63.190  39.640  1.00  0.00           C
ATOM    932  CA  MET A  59      74.920  60.840  41.090  1.00  0.00           C
ATOM    949  CA  SER A  60      73.410  61.720  44.520  1.00  0.00           C
ATOM    960  CA  ASN A  61      70.060  60.350  43.240  1.00  0.00           C
ATOM    974  CA  LEU A  62      71.860  56.940  42.770  1.00  0.00           C
ATOM    993  CA  ASP A  63      73.260  57.220  46.510  1.00  0.00           C
ATOM   1005  CA  SER A  64      69.950  58.710  47.640  1.00  0.00           C
ATOM   1016  CA  ASN A  65      67.960  56.260  49.930  1.00  0.00           C
ATOM   1030  CA  ARG A  66      67.530  52.540  48.980  1.00  0.00           C
ATOM   1054  CA  ASP A  67      68.130  52.950  45.180  1.00  0.00           C
ATOM   1066  CA  ASN A  68      69.250  49.720  43.510  1.00  0.00           C
ATOM   1080  CA  GLU A  69      66.980  48.740  40.430  1.00  0.00           C
ATOM   1095  CA  VAL A  70      65.370  50.750  37.470  1.00  0.00           C
ATOM   1111  CA  ASP A  71      61.940  49.860  36.280  1.00  0.00           C
ATOM   1123  CA  PHE A  72      60.630  51.290  32.940  1.00  0.00           C
ATOM   1143  CA  GLN A  73      59.260  54.480  34.420  1.00  0.00           C
ATOM   1160  CA  GLU A  74      62.100  54.970  36.850  1.00  0.00           C
ATOM   1175  CA  TYR A  75      64.240  55.450  33.590  1.00  0.00           C
ATOM   1196  CA  CYS A  76      61.790  58.000  32.050  1.00  0.00           C
ATOM   1207  CA  VAL A  77      61.870  59.830  35.510  1.00  0.00           C
ATOM   1223  CA  PHE A  78      65.730  60.260  35.510  1.00  0.00           C
ATOM   1243  CA  LEU A  79      65.340  61.220  31.870  1.00  0.00           C
ATOM   1262  CA  SER A  80      62.800  63.880  33.110  1.00  0.00           C
ATOM   1273  CA  CYS A  81      65.380  65.080  35.810  1.00  0.00           C
ATOM   1284  CA  ILE A  82      68.020  65.800  33.050  1.00  0.00           C
ATOM   1303  CA  ALA A  83      65.490  67.260  30.620  1.00  0.00           C
ATOM   1313  CA  MET A  84      63.840  69.590  33.280  1.00  0.00           C
ATOM   1330  CA  MET A  85      67.450  70.760  34.060  1.00  0.00           C
ATOM   1347  CA  CYS A  86      68.090  71.450  30.380  1.00  0.00           C
ATOM   1358  CA  ASN A  87      65.730  71.140  27.420  1.00  0.00           C
ATOM   1372  CA  GLU A  88      65.330  74.680  25.740  1.00  0.00           C
ATOM   1387  CA  PHE A  89      64.920  77.330  28.500  1.00  0.00           C
ATOM   1407  CA  PHE A  90      67.790  79.800  29.180  1.00  0.00           C
ATOM   1427  CA  GLU A  91      66.950  79.380  32.890  1.00  0.00           C
ATOM   1442  CA  GLY A  92      68.640  77.860  35.820  1.00  0.00           C
ATOM   1449  CA  PHE A  93      66.400  75.160  37.400  1.00  0.00           C
ATOM   1477  CA  PRO A  94      67.190  72.860  40.400  1.00  0.00           C
ATOM   1486  CA  ALA B   2      76.920  58.800  16.790  1.00  0.00           C
ATOM   1496  CA  CYS B   3      74.440  59.790  19.560  1.00  0.00           C
ATOM   1515  CA  PRO B   4      70.710  59.460  18.830  1.00  0.00           C
ATOM   1521  CA  LEU B   5      69.290  60.460  22.270  1.00  0.00           C
ATOM   1540  CA  GLU B   6      70.450  64.160  21.600  1.00  0.00           C
ATOM   1555  CA  LYS B   7      68.030  64.260  18.560  1.00  0.00           C
ATOM   1577  CA  ALA B   8      65.290  62.240  20.190  1.00  0.00           C
ATOM   1587  CA  LEU B   9      64.960  64.900  22.880  1.00  0.00           C
ATOM   1606  CA  ASP B  10      64.880  67.660  20.160  1.00  0.00           C
ATOM   1618  CA  VAL B  11      61.810  65.930  18.560  1.00  0.00           C
ATOM   1634  CA  MET B  12      60.180  65.340  21.990  1.00  0.00           C
ATOM   1651  CA  VAL B  13      60.290  69.110  22.650  1.00  0.00           C
ATOM   1667  CA  SER B  14      59.820  70.450  19.020  1.00  0.00           C
ATOM   1678  CA  THR B  15      56.710  68.230  18.400  1.00  0.00           C
ATOM   1692  CA  PHE B  16      55.340  69.620  21.780  1.00  0.00           C
ATOM   1712  CA  HIS B  17      56.180  73.280  20.720  1.00  0.00           C
ATOM   1729  CA  LYS B  18      53.970  72.720  17.600  1.00  0.00           C
ATOM   1751  CA  TYR B  19      51.040  72.040  20.150  1.00  0.00           C
ATOM   1772  CA  SER B  20      51.500  75.380  22.090  1.00  0.00           C
ATOM   1783  CA  GLY B  21      51.620  77.270  18.740  1.00  0.00           C
ATOM   1790  CA  LYS B  22      47.720  76.810  18.330  1.00  0.00           C
ATOM   1812  CA  GLU B  23      47.600  79.790  20.770  1.00  0.00           C
ATOM   1827  CA  GLY B  24      51.000  80.920  22.220  1.00  0.00           C
ATOM   1834  CA  ASP B  25      50.830  79.980  25.930  1.00  0.00           C
ATOM   1846  CA  LYS B  26      53.780  77.570  26.560  1.00  0.00           C
ATOM   1868  CA  PHE B  27      54.810  77.430  30.220  1.00  0.00           C
ATOM   1888  CA  LYS B  28      51.840  75.150  30.890  1.00  0.00           C
ATOM   1910  CA  LEU B  29      49.530  72.950  28.750  1.00  0.00           C
ATOM   1929  CA  ASN B  30      45.900  72.050  29.480  1.00  0.00           C
ATOM   1943  CA  LYS B  31      44.890  68.490  30.660  1.00  0.00           C
ATOM   1965  CA  SER B  32      41.960  68.430  28.230  1.00  0.00           C
ATOM   1976  CA  GLU B  33      44.390  68.900  25.350  1.00  0.00           C
ATOM   1991  CA  LEU B  34      46.210  65.590  25.980  1.00  0.00           C
ATOM   2010  CA  LYS B  35      43.420  63.560  24.120  1.00  0.00           C
ATOM   2032  CA  GLU B  36      43.810  65.700  20.910  1.00  0.00           C
ATOM   2047  CA  LEU B  37      47.720  65.950  21.270  1.00  0.00           C
ATOM   2066  CA  LEU B  38      47.900  62.080  21.480  1.00  0.00           C
ATOM   2085  CA  THR B  39      45.460  61.630  18.490  1.00  0.00           C
ATOM   2099  CA  ARG B  40      47.220  64.330  16.240  1.00  0.00           C
ATOM   2123  CA  GLU B  41      50.680  62.630  16.260  1.00  0.00           C
ATOM   2138  CA  LEU B  42      49.680  59.110  17.230  1.00  0.00           C
ATOM   2165  CA  PRO B  43      46.320  58.120  15.430  1.00  0.00           C
ATOM   2171  CA  SER B  44      46.130  54.710  13.670  1.00  0.00           C
ATOM   2182  CA  PHE B  45      49.740  53.480  14.360  1.00  0.00           C
ATOM   2202  CA  LEU B  46      48.960  53.670  18.160  1.00  0.00           C
ATOM   2221  CA  GLY B  47      45.050  53.340  17.660  1.00  0.00           C
ATOM   2228  CA  LYS B  48      45.250  50.130  15.420  1.00  0.00           C
ATOM   2250  CA  ARG B  49      43.430  47.040  17.070  1.00  0.00           C
ATOM   2274  CA  THR B  50      45.490  46.100  20.230  1.00  0.00           C
ATOM   2288  CA  ASP B  51      43.870  47.160  23.510  1.00  0.00           C
ATOM   2300  CA  GLU B  52      41.400  49.910  22.450  1.00  0.00           C
ATOM   2315  CA  ALA B  53      40.470  50.100  26.240  1.00  0.00           C
ATOM   2325  CA  ALA B  54      43.930  51.430  26.930  1.00  0.00           C
ATOM   2335  CA  PHE B  55      43.050  54.770  25.140  1.00  0.00           C
ATOM   2355  CA  GLN B  56      39.860  54.920  27.390  1.00  0.00           C
ATOM   2372  CA  LYS B  57      42.090  54.440  30.560  1.00  0.00           C
ATOM   2394  CA  LEU B  58      44.090  57.580  29.510  1.00  0.00           C
ATOM   2413  CA  MET B  59      40.700  59.200  29.030  1.00  0.00           C
ATOM   2430  CA  SER B  60      39.540  58.190  32.540  1.00  0.00           C
ATOM   2441  CA  ASN B  61      42.990  59.590  33.860  1.00  0.00           C
ATOM   2455  CA  LEU B  62      41.730  62.940  32.470  1.00  0.00           C
ATOM   2474  CA  ASP B  63      38.280  62.550  34.040  1.00  0.00           C
ATOM   2486  CA  SER B  64      40.130  61.420  37.300  1.00  0.00           C
ATOM   2497  CA  ASN B  65      39.600  63.940  40.260  1.00  0.00           C
ATOM   2511  CA  ARG B  66      41.230  67.490  39.610  1.00  0.00           C
ATOM   2535  CA  ASP B  67      42.700  67.280  36.040  1.00  0.00           C
ATOM   2547  CA  ASN B  68      43.410  70.860  34.950  1.00  0.00           C
ATOM   2561  CA  GLU B  69      47.080  71.400  33.810  1.00  0.00           C
ATOM   2576  CA  VAL B  70      50.280  69.690  32.460  1.00  0.00           C
ATOM   2592  CA  ASP B  71      53.960  70.180  33.630  1.00  0.00           C
ATOM   2604  CA  PHE B  72      57.070  68.850  31.860  1.00  0.00           C
ATOM   2624  CA  GLN B  73      56.840  65.740  34.170  1.00  0.00           C
ATOM   2641  CA  GLU B  74      53.020  65.360  33.510  1.00  0.00           C
ATOM   2656  CA  TYR B  75      53.790  65.010  29.780  1.00  0.00           C
ATOM   2677  CA  CYS B  76      56.730  62.690  30.680  1.00  0.00           C
ATOM   2688  CA  VAL B  77      54.600  60.370  33.030  1.00  0.00           C
ATOM   2704  CA  PHE B  78      51.660  60.090  30.490  1.00  0.00           C
ATOM   2724  CA  LEU B  79      54.320  59.440  27.700  1.00  0.00           C
ATOM   2743  CA  SER B  80      55.760  56.800  30.130  1.00  0.00           C
ATOM   2754  CA  CYS B  81      52.270  55.150  30.360  1.00  0.00           C
ATOM   2765  CA  ILE B  82      51.860  55.080  26.500  1.00  0.00           C
ATOM   2784  CA  ALA B  83      55.420  53.560  25.970  1.00  0.00           C
ATOM   2794  CA  MET B  84      54.910  50.960  28.810  1.00  0.00           C
ATOM   2811  CA  MET B  85      51.520  49.860  27.320  1.00  0.00           C
ATOM   2828  CA  CYS B  86      53.390  49.210  24.020  1.00  0.00           C
ATOM   2839  CA  ASN B  87      57.150  49.260  23.090  1.00  0.00           C
ATOM   2853  CA  GLU B  88      59.290  46.300  21.670  1.00  0.00           C
ATOM   2868  CA  PHE B  89      57.850  43.890  24.240  1.00  0.00           C
ATOM   2888  CA  PHE B  90      55.480  41.410  22.590  1.00  0.00           C
ATOM   2908  CA  GLU B  91      53.050  41.120  25.510  1.00  0.00           C
ATOM   2923  CA  GLY B  92      50.180  43.560  26.640  1.00  0.00           C
ATOM   2930  CA  PHE B  93      50.620  45.480  29.960  1.00  0.00           C
ATOM   2958  CA  PRO B  94      48.120  47.490  32.220  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: October 18th, 2018.