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***  with_ca_1  ***

elNémo ID: 210115080211111006

Job options:

ID        	=	 210115080211111006
JOBID     	=	 with_ca_1
USERID    	=	 unknown
PRIVAT    	=	 0

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

DOPROJMODS	=	 0
DORMSD    	=	 0

NRBL      	=	 0
CUTOFF    	=	 12
CAONLY    	=	 0


Input data for this run:

HEADER with_ca_1

REMARK    GENERATED BY TRJCONV
TITLE     Protein in water t= 700000.00000 step= 350000000
REMARK    THIS IS A SIMULATION BOX
CRYST1   89.067   89.067   89.067  60.00  60.00  90.00 P 1           1
MODEL        1
ATOM      1  CA  ALA     2      37.670 184.890 -41.920  1.00  0.00           C
ATOM      2  CA  CYS     3      41.270 184.470 -43.160  1.00  0.00           C
ATOM      3  CA  PRO     4      42.390 182.440 -46.370  1.00  0.00           C
ATOM      4  CA  LEU     5      43.310 178.710 -46.070  1.00  0.00           C
ATOM      5  CA  GLU     6      46.940 179.630 -46.750  1.00  0.00           C
ATOM      6  CA  LYS     7      46.870 181.700 -43.490  1.00  0.00           C
ATOM      7  CA  ALA     8      45.050 178.830 -41.740  1.00  0.00           C
ATOM      8  CA  LEU     9      48.010 176.530 -42.790  1.00  0.00           C
ATOM      9  CA  ASP    10      50.490 179.150 -41.530  1.00  0.00           C
ATOM     10  CA  VAL    11      48.620 179.500 -38.140  1.00  0.00           C
ATOM     11  CA  MET    12      48.660 175.670 -38.070  1.00  0.00           C
ATOM     12  CA  VAL    13      52.530 175.450 -38.550  1.00  0.00           C
ATOM     13  CA  SER    14      53.240 178.610 -36.380  1.00  0.00           C
ATOM     14  CA  THR    15      51.090 177.600 -33.450  1.00  0.00           C
ATOM     15  CA  PHE    16      52.870 174.210 -33.490  1.00  0.00           C
ATOM     16  CA  HIS    17      56.370 175.600 -33.040  1.00  0.00           C
ATOM     17  CA  LYS    18      54.860 177.940 -30.340  1.00  0.00           C
ATOM     18  CA  TYR    19      54.510 174.870 -28.040  1.00  0.00           C
ATOM     19  CA  SER    20      56.420 171.760 -29.560  1.00  0.00           C
ATOM     20  CA  GLY    21      60.010 172.370 -28.160  1.00  0.00           C
ATOM     21  CA  LYS    22      58.850 173.460 -24.620  1.00  0.00           C
ATOM     22  CA  GLU    23      59.790 170.080 -22.860  1.00  0.00           C
ATOM     23  CA  GLY    24      62.590 169.510 -25.510  1.00  0.00           C
ATOM     24  CA  ASP    25      62.490 167.890 -29.030  1.00  0.00           C
ATOM     25  CA  LYS    26      60.820 170.580 -31.330  1.00  0.00           C
ATOM     26  CA  PHE    27      59.530 167.840 -33.680  1.00  0.00           C
ATOM     27  CA  LYS    28      57.140 165.830 -31.300  1.00  0.00           C
ATOM     28  CA  LEU    29      54.200 167.450 -29.420  1.00  0.00           C
ATOM     29  CA  ASN    30      54.000 166.020 -25.900  1.00  0.00           C
ATOM     30  CA  LYS    31      51.220 166.090 -23.200  1.00  0.00           C
ATOM     31  CA  SER    32      52.620 169.250 -21.330  1.00  0.00           C
ATOM     32  CA  GLU    33      52.920 171.100 -24.700  1.00  0.00           C
ATOM     33  CA  LEU    34      49.510 170.180 -26.090  1.00  0.00           C
ATOM     34  CA  LYS    35      48.210 171.090 -22.600  1.00  0.00           C
ATOM     35  CA  GLU    36      49.330 174.690 -23.080  1.00  0.00           C
ATOM     36  CA  LEU    37      47.920 175.340 -26.600  1.00  0.00           C
ATOM     37  CA  LEU    38      44.480 173.870 -25.430  1.00  0.00           C
ATOM     38  CA  THR    39      44.970 176.410 -22.570  1.00  0.00           C
ATOM     39  CA  ARG    40      45.880 179.690 -24.530  1.00  0.00           C
ATOM     40  CA  GLU    41      46.010 179.100 -28.370  1.00  0.00           C
ATOM     41  CA  LEU    42      42.470 177.400 -28.360  1.00  0.00           C
ATOM     42  CA  PRO    43      40.600 178.560 -25.140  1.00  0.00           C
ATOM     43  CA  SER    44      37.300 176.820 -26.330  1.00  0.00           C
ATOM     44  CA  PHE    45      38.870 173.580 -24.970  1.00  0.00           C
ATOM     45  CA  LEU    46      38.210 175.210 -21.580  1.00  0.00           C
ATOM     46  CA  GLY    47      34.610 175.650 -22.830  1.00  0.00           C
ATOM     47  CA  LYS    48      33.980 171.810 -22.910  1.00  0.00           C
ATOM     48  CA  ARG    49      36.840 169.970 -21.120  1.00  0.00           C
ATOM     49  CA  THR    50      39.010 170.670 -18.010  1.00  0.00           C
ATOM     50  CA  ASP    51      42.040 168.140 -18.280  1.00  0.00           C
ATOM     51  CA  GLU    52      44.760 166.180 -20.030  1.00  0.00           C
ATOM     52  CA  ALA    53      42.270 163.260 -19.690  1.00  0.00           C
ATOM     53  CA  ALA    54      40.290 164.750 -22.600  1.00  0.00           C
ATOM     54  CA  PHE    55      43.240 164.510 -25.080  1.00  0.00           C
ATOM     55  CA  GLN    56      45.770 161.760 -23.900  1.00  0.00           C
ATOM     56  CA  LYS    57      43.520 159.050 -25.790  1.00  0.00           C
ATOM     57  CA  LEU    58      43.470 161.070 -29.050  1.00  0.00           C
ATOM     58  CA  MET    59      47.340 160.890 -29.160  1.00  0.00           C
ATOM     59  CA  SER    60      47.130 156.960 -29.430  1.00  0.00           C
ATOM     60  CA  ASN    61      43.860 156.730 -31.460  1.00  0.00           C
ATOM     61  CA  LEU    62      44.810 159.330 -34.080  1.00  0.00           C
ATOM     62  CA  ASP    63      48.470 158.220 -34.350  1.00  0.00           C
ATOM     63  CA  SER    64      49.980 157.670 -37.870  1.00  0.00           C
ATOM     64  CA  ASN    65      53.500 156.250 -36.800  1.00  0.00           C
ATOM     65  CA  ARG    66      53.090 154.100 -33.640  1.00  0.00           C
ATOM     66  CA  ASP    67      54.720 156.290 -30.960  1.00  0.00           C
ATOM     67  CA  ASN    68      51.780 158.230 -29.060  1.00  0.00           C
ATOM     68  CA  GLU    69      53.530 161.560 -29.580  1.00  0.00           C
ATOM     69  CA  VAL    70      51.770 164.280 -31.870  1.00  0.00           C
ATOM     70  CA  ASP    71      53.280 165.070 -35.350  1.00  0.00           C
ATOM     71  CA  PHE    72      52.890 167.660 -38.020  1.00  0.00           C
ATOM     72  CA  GLN    73      50.980 164.820 -39.970  1.00  0.00           C
ATOM     73  CA  GLU    74      48.590 164.360 -36.910  1.00  0.00           C
ATOM     74  CA  TYR    75      48.070 168.040 -35.690  1.00  0.00           C
ATOM     75  CA  CYS    76      45.040 169.180 -37.780  1.00  0.00           C
ATOM     76  CA  VAL    77      43.310 165.720 -37.390  1.00  0.00           C
ATOM     77  CA  PHE    78      43.950 165.820 -33.540  1.00  0.00           C
ATOM     78  CA  LEU    79      42.500 169.430 -33.690  1.00  0.00           C
ATOM     79  CA  SER    80      39.460 168.290 -35.720  1.00  0.00           C
ATOM     80  CA  CYS    81      38.500 166.600 -32.390  1.00  0.00           C
ATOM     81  CA  ILE    82      38.700 170.180 -30.900  1.00  0.00           C
ATOM     82  CA  ALA    83      36.510 171.790 -33.630  1.00  0.00           C
ATOM     83  CA  MET    84      33.780 169.860 -31.740  1.00  0.00           C
ATOM     84  CA  MET    85      34.330 172.580 -28.920  1.00  0.00           C
ATOM     85  CA  CYS    86      35.170 175.680 -30.900  1.00  0.00           C
ATOM     86  CA  ASN    87      32.800 175.680 -33.950  1.00  0.00           C
ATOM     87  CA  GLU    88      29.020 176.280 -34.650  1.00  0.00           C
ATOM     88  CA  PHE    89      28.740 174.160 -37.860  1.00  0.00           C
ATOM     89  CA  PHE    90      30.500 170.850 -36.820  1.00  0.00           C
ATOM     90  CA  GLU    91      28.510 170.010 -33.740  1.00  0.00           C
ATOM     91  CA  GLY    92      26.660 166.920 -32.160  1.00  0.00           C
ATOM     92  CA  PHE    93      29.860 165.290 -30.550  1.00  0.00           C
ATOM     93  CA  PRO    94      30.170 164.530 -26.720  1.00  0.00           C
ATOM     94  CA  ALA     2      37.570 183.780 -30.870  1.00  0.00           C
ATOM     95  CA  CYS     3      41.330 182.830 -31.440  1.00  0.00           C
ATOM     96  CA  PRO     4      43.370 182.400 -34.690  1.00  0.00           C
ATOM     97  CA  LEU     5      43.470 178.460 -34.360  1.00  0.00           C
ATOM     98  CA  GLU     6      39.640 178.560 -34.030  1.00  0.00           C
ATOM     99  CA  LYS     7      39.400 180.840 -37.080  1.00  0.00           C
ATOM    100  CA  ALA     8      41.880 178.330 -38.790  1.00  0.00           C
ATOM    101  CA  LEU     9      39.540 175.450 -37.810  1.00  0.00           C
ATOM    102  CA  ASP    10      36.390 177.290 -39.070  1.00  0.00           C
ATOM    103  CA  VAL    11      37.980 178.150 -42.500  1.00  0.00           C
ATOM    104  CA  MET    12      38.550 174.350 -42.680  1.00  0.00           C
ATOM    105  CA  VAL    13      34.870 173.380 -42.200  1.00  0.00           C
ATOM    106  CA  SER    14      34.210 176.410 -44.500  1.00  0.00           C
ATOM    107  CA  THR    15      36.080 174.960 -47.590  1.00  0.00           C
ATOM    108  CA  PHE    16      34.770 171.370 -47.000  1.00  0.00           C
ATOM    109  CA  HIS    17      31.180 172.580 -47.030  1.00  0.00           C
ATOM    110  CA  LYS    18      31.600 174.550 -50.370  1.00  0.00           C
ATOM    111  CA  TYR    19      33.330 171.980 -52.760  1.00  0.00           C
ATOM    112  CA  SER    20      31.590 168.790 -51.450  1.00  0.00           C
ATOM    113  CA  GLY    21      28.350 169.070 -53.530  1.00  0.00           C
ATOM    114  CA  LYS    22      29.200 168.920 -57.300  1.00  0.00           C
ATOM    115  CA  GLU    23      29.340 165.100 -57.350  1.00  0.00           C
ATOM    116  CA  GLY    24      28.480 161.940 -55.300  1.00  0.00           C
ATOM    117  CA  ASP    25      27.710 162.450 -51.600  1.00  0.00           C
ATOM    118  CA  LYS    26      27.020 166.220 -50.950  1.00  0.00           C
ATOM    119  CA  PHE    27      29.120 166.330 -47.670  1.00  0.00           C
ATOM    120  CA  LYS    28      32.390 164.490 -48.790  1.00  0.00           C
ATOM    121  CA  LEU    29      35.240 165.380 -51.160  1.00  0.00           C
ATOM    122  CA  ASN    30      35.580 163.330 -54.350  1.00  0.00           C
ATOM    123  CA  LYS    31      39.150 163.580 -56.020  1.00  0.00           C
ATOM    124  CA  SER    32      37.460 165.840 -58.510  1.00  0.00           C
ATOM    125  CA  GLU    33      36.320 168.330 -55.700  1.00  0.00           C
ATOM    126  CA  LEU    34      39.540 167.650 -53.780  1.00  0.00           C
ATOM    127  CA  LYS    35      41.560 168.860 -56.760  1.00  0.00           C
ATOM    128  CA  GLU    36      39.200 171.840 -57.440  1.00  0.00           C
ATOM    129  CA  LEU    37      39.670 172.740 -53.720  1.00  0.00           C
ATOM    130  CA  LEU    38      43.540 172.920 -54.050  1.00  0.00           C
ATOM    131  CA  THR    39      43.140 174.800 -57.350  1.00  0.00           C
ATOM    132  CA  ARG    40      41.210 177.630 -55.650  1.00  0.00           C
ATOM    133  CA  GLU    41      41.760 177.330 -51.820  1.00  0.00           C
ATOM    134  CA  LEU    42      45.640 176.830 -52.190  1.00  0.00           C
ATOM    135  CA  PRO    43      46.240 178.640 -55.550  1.00  0.00           C
ATOM    136  CA  SER    44      50.090 178.220 -55.830  1.00  0.00           C
ATOM    137  CA  PHE    45      50.200 174.300 -55.060  1.00  0.00           C
ATOM    138  CA  LEU    46      48.830 173.090 -58.460  1.00  0.00           C
ATOM    139  CA  GLY    47      49.180 176.660 -59.820  1.00  0.00           C
ATOM    140  CA  LYS    48      53.000 176.210 -59.950  1.00  0.00           C
ATOM    141  CA  ARG    49      53.320 172.470 -60.820  1.00  0.00           C
ATOM    142  CA  THR    50      52.890 170.890 -64.330  1.00  0.00           C
ATOM    143  CA  ASP    51      51.940 167.370 -63.080  1.00  0.00           C
ATOM    144  CA  GLU    52      49.520 165.940 -60.470  1.00  0.00           C
ATOM    145  CA  ALA    53      52.440 163.960 -58.720  1.00  0.00           C
ATOM    146  CA  ALA    54      52.750 166.040 -55.370  1.00  0.00           C
ATOM    147  CA  PHE    55      48.950 165.980 -54.950  1.00  0.00           C
ATOM    148  CA  GLN    56      48.720 162.130 -55.600  1.00  0.00           C
ATOM    149  CA  LYS    57      50.990 161.800 -52.510  1.00  0.00           C
ATOM    150  CA  LEU    58      48.810 164.190 -50.490  1.00  0.00           C
ATOM    151  CA  MET    59      46.310 161.490 -51.600  1.00  0.00           C
ATOM    152  CA  SER    60      48.680 158.500 -50.960  1.00  0.00           C
ATOM    153  CA  ASN    61      46.450 157.220 -47.990  1.00  0.00           C
ATOM    154  CA  LEU    62      43.470 159.130 -46.330  1.00  0.00           C
ATOM    155  CA  ASP    63      40.470 156.800 -45.960  1.00  0.00           C
ATOM    156  CA  SER    64      39.680 153.090 -44.760  1.00  0.00           C
ATOM    157  CA  ASN    65      35.960 152.860 -45.930  1.00  0.00           C
ATOM    158  CA  ARG    66      34.390 151.990 -49.330  1.00  0.00           C
ATOM    159  CA  ASP    67      32.790 155.380 -49.970  1.00  0.00           C
ATOM    160  CA  ASN    68      35.430 156.880 -52.510  1.00  0.00           C
ATOM    161  CA  GLU    69      35.010 160.350 -50.910  1.00  0.00           C
ATOM    162  CA  VAL    70      36.740 161.870 -47.800  1.00  0.00           C
ATOM    163  CA  ASP    71      34.830 162.960 -44.630  1.00  0.00           C
ATOM    164  CA  PHE    72      35.880 166.110 -42.660  1.00  0.00           C
ATOM    165  CA  GLN    73      38.130 163.950 -40.170  1.00  0.00           C
ATOM    166  CA  GLU    74      39.690 162.240 -43.160  1.00  0.00           C
ATOM    167  CA  TYR    75      40.160 165.700 -45.010  1.00  0.00           C
ATOM    168  CA  CYS    76      41.980 166.680 -41.780  1.00  0.00           C
ATOM    169  CA  VAL    77      44.440 163.850 -42.270  1.00  0.00           C
ATOM    170  CA  PHE    78      45.130 165.480 -45.690  1.00  0.00           C
ATOM    171  CA  LEU    79      45.600 168.960 -44.160  1.00  0.00           C
ATOM    172  CA  SER    80      47.910 167.630 -41.580  1.00  0.00           C
ATOM    173  CA  CYS    81      49.870 166.110 -44.550  1.00  0.00           C
ATOM    174  CA  ILE    82      50.020 169.700 -46.040  1.00  0.00           C
ATOM    175  CA  ALA    83      51.180 171.170 -42.650  1.00  0.00           C
ATOM    176  CA  MET    84      53.840 168.340 -42.700  1.00  0.00           C
ATOM    177  CA  MET    85      54.860 169.530 -46.220  1.00  0.00           C
ATOM    178  CA  CYS    86      54.600 173.440 -45.530  1.00  0.00           C
ATOM    179  CA  ASN    87      56.830 173.060 -42.490  1.00  0.00           C
ATOM    180  CA  GLU    88      59.540 171.340 -44.680  1.00  0.00           C
ATOM    181  CA  PHE    89      59.020 173.640 -47.780  1.00  0.00           C
ATOM    182  CA  PHE    90      58.910 177.220 -46.360  1.00  0.00           C
ATOM    183  CA  GLU    91      59.310 176.920 -42.500  1.00  0.00           C
ATOM    184  CA  GLY    92      62.750 175.590 -43.310  1.00  0.00           C
ATOM    185  CA  PHE    93      62.460 172.600 -40.830  1.00  0.00           C
ATOM    186  CA  PRO    94      64.780 169.550 -41.700  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.