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***  ca_my_1  ***

elNémo ID: 21011507555788573

Job options:

ID        	=	 21011507555788573
JOBID     	=	 ca_my_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 ca_my_1

REMARK    GENERATED BY TRJCONV
TITLE     Protein in water t= 750000.00000 step= 375000000
REMARK    THIS IS A SIMULATION BOX
CRYST1   83.363   83.363   83.363  60.00  60.00  90.00 P 1           1
MODEL        1
ATOM      1  CA  ALA     2     113.940 -29.250 203.800  1.00  0.00           C
ATOM      2  CA  CYS     3     115.690 -26.050 204.900  1.00  0.00           C
ATOM      3  CA  PRO     4     113.310 -23.060 205.330  1.00  0.00           C
ATOM      4  CA  LEU     5     113.800 -21.600 201.850  1.00  0.00           C
ATOM      5  CA  GLU     6     113.360 -25.130 200.230  1.00  0.00           C
ATOM      6  CA  LYS     7     110.010 -25.270 202.120  1.00  0.00           C
ATOM      7  CA  ALA     8     109.050 -21.840 200.840  1.00  0.00           C
ATOM      8  CA  LEU     9     109.820 -23.040 197.220  1.00  0.00           C
ATOM      9  CA  ASP    10     107.590 -26.040 197.800  1.00  0.00           C
ATOM     10  CA  VAL    11     104.930 -23.560 199.110  1.00  0.00           C
ATOM     11  CA  MET    12     104.970 -21.120 196.150  1.00  0.00           C
ATOM     12  CA  VAL    13     104.890 -24.150 193.700  1.00  0.00           C
ATOM     13  CA  SER    14     101.970 -25.780 195.560  1.00  0.00           C
ATOM     14  CA  THR    15     100.040 -22.470 195.940  1.00  0.00           C
ATOM     15  CA  PHE    16      99.870 -21.950 192.160  1.00  0.00           C
ATOM     16  CA  HIS    17      98.150 -25.520 191.500  1.00  0.00           C
ATOM     17  CA  LYS    18      96.020 -24.890 194.630  1.00  0.00           C
ATOM     18  CA  TYR    19      94.090 -22.390 192.290  1.00  0.00           C
ATOM     19  CA  SER    20      95.410 -22.530 188.710  1.00  0.00           C
ATOM     20  CA  GLY    21      92.670 -25.050 187.740  1.00  0.00           C
ATOM     21  CA  LYS    22      89.530 -23.660 189.560  1.00  0.00           C
ATOM     22  CA  GLU    23      88.790 -21.950 186.160  1.00  0.00           C
ATOM     23  CA  GLY    24      89.300 -23.160 182.460  1.00  0.00           C
ATOM     24  CA  ASP    25      92.480 -25.330 182.020  1.00  0.00           C
ATOM     25  CA  LYS    26      95.030 -26.120 184.820  1.00  0.00           C
ATOM     26  CA  PHE    27      98.180 -24.380 183.440  1.00  0.00           C
ATOM     27  CA  LYS    28      97.990 -20.620 184.510  1.00  0.00           C
ATOM     28  CA  LEU    29      96.220 -18.220 186.990  1.00  0.00           C
ATOM     29  CA  ASN    30      93.050 -16.500 185.580  1.00  0.00           C
ATOM     30  CA  LYS    31      91.940 -13.170 187.120  1.00  0.00           C
ATOM     31  CA  SER    32      89.460 -15.290 189.230  1.00  0.00           C
ATOM     32  CA  GLU    33      92.030 -17.850 190.400  1.00  0.00           C
ATOM     33  CA  LEU    34      94.670 -15.030 190.970  1.00  0.00           C
ATOM     34  CA  LYS    35      91.960 -13.320 193.220  1.00  0.00           C
ATOM     35  CA  GLU    36      91.420 -16.730 194.980  1.00  0.00           C
ATOM     36  CA  LEU    37      95.170 -16.800 195.630  1.00  0.00           C
ATOM     37  CA  LEU    38      95.750 -13.140 196.810  1.00  0.00           C
ATOM     38  CA  THR    39      92.320 -13.080 198.820  1.00  0.00           C
ATOM     39  CA  ARG    40      92.850 -16.510 200.630  1.00  0.00           C
ATOM     40  CA  GLU    41      96.680 -16.790 201.080  1.00  0.00           C
ATOM     41  CA  LEU    42      97.770 -13.070 200.920  1.00  0.00           C
ATOM     42  CA  PRO    43      94.820 -10.710 201.790  1.00  0.00           C
ATOM     43  CA  SER    44      96.890  -8.180 203.900  1.00  0.00           C
ATOM     44  CA  PHE    45      98.770  -7.160 200.730  1.00  0.00           C
ATOM     45  CA  LEU    46      95.440  -5.980 199.240  1.00  0.00           C
ATOM     46  CA  GLY    47      93.690  -4.100 202.010  1.00  0.00           C
ATOM     47  CA  LYS    48      90.370  -3.090 200.310  1.00  0.00           C
ATOM     48  CA  ARG    49      91.390  -3.750 196.690  1.00  0.00           C
ATOM     49  CA  THR    50      89.080  -6.740 196.600  1.00  0.00           C
ATOM     50  CA  ASP    51      86.600  -6.410 193.650  1.00  0.00           C
ATOM     51  CA  GLU    52      87.620  -8.360 190.500  1.00  0.00           C
ATOM     52  CA  ALA    53      88.700  -5.330 188.320  1.00  0.00           C
ATOM     53  CA  ALA    54      91.590  -4.790 190.740  1.00  0.00           C
ATOM     54  CA  PHE    55      92.820  -8.230 189.570  1.00  0.00           C
ATOM     55  CA  GLN    56      91.990  -7.390 186.020  1.00  0.00           C
ATOM     56  CA  LYS    57      94.260  -4.330 186.660  1.00  0.00           C
ATOM     57  CA  LEU    58      97.000  -6.780 188.080  1.00  0.00           C
ATOM     58  CA  MET    59      96.710  -8.890 184.890  1.00  0.00           C
ATOM     59  CA  SER    60      97.010  -5.960 182.540  1.00  0.00           C
ATOM     60  CA  ASN    61     100.150  -4.800 184.610  1.00  0.00           C
ATOM     61  CA  LEU    62     101.650  -8.410 184.660  1.00  0.00           C
ATOM     62  CA  ASP    63     101.000 -10.060 181.240  1.00  0.00           C
ATOM     63  CA  SER    64     103.980 -10.800 178.930  1.00  0.00           C
ATOM     64  CA  ASN    65     102.000 -12.290 176.070  1.00  0.00           C
ATOM     65  CA  ARG    66      98.410 -10.800 175.900  1.00  0.00           C
ATOM     66  CA  ASP    67      96.840 -14.080 177.210  1.00  0.00           C
ATOM     67  CA  ASN    68      95.050 -12.730 180.270  1.00  0.00           C
ATOM     68  CA  GLU    69      96.470 -15.500 182.790  1.00  0.00           C
ATOM     69  CA  VAL    70      99.570 -15.520 185.110  1.00  0.00           C
ATOM     70  CA  ASP    71     102.330 -17.820 183.720  1.00  0.00           C
ATOM     71  CA  PHE    72     104.470 -19.410 186.420  1.00  0.00           C
ATOM     72  CA  GLN    73     107.330 -17.180 184.670  1.00  0.00           C
ATOM     73  CA  GLU    74     105.290 -14.070 185.650  1.00  0.00           C
ATOM     74  CA  TYR    75     104.230 -15.370 189.190  1.00  0.00           C
ATOM     75  CA  CYS    76     107.760 -16.600 190.300  1.00  0.00           C
ATOM     76  CA  VAL    77     109.320 -13.120 189.510  1.00  0.00           C
ATOM     77  CA  PHE    78     106.080 -11.280 190.720  1.00  0.00           C
ATOM     78  CA  LEU    79     106.420 -12.740 194.240  1.00  0.00           C
ATOM     79  CA  SER    80     110.350 -12.090 194.070  1.00  0.00           C
ATOM     80  CA  CYS    81     109.590  -8.450 193.120  1.00  0.00           C
ATOM     81  CA  ILE    82     107.510  -8.260 196.320  1.00  0.00           C
ATOM     82  CA  ALA    83     110.480  -9.800 198.290  1.00  0.00           C
ATOM     83  CA  MET    84     112.450  -6.750 196.780  1.00  0.00           C
ATOM     84  CA  MET    85     109.740  -4.340 197.990  1.00  0.00           C
ATOM     85  CA  CYS    86     110.480  -6.150 201.360  1.00  0.00           C
ATOM     86  CA  ASN    87     114.250  -5.710 200.700  1.00  0.00           C
ATOM     87  CA  GLU    88     114.290  -1.840 201.030  1.00  0.00           C
ATOM     88  CA  PHE    89     113.800  -2.340 204.900  1.00  0.00           C
ATOM     89  CA  PHE    90     116.470  -5.200 205.190  1.00  0.00           C
ATOM     90  CA  GLU    91     120.330  -5.280 205.570  1.00  0.00           C
ATOM     91  CA  GLY    92     122.630  -8.080 206.900  1.00  0.00           C
ATOM     92  CA  PHE    93     122.150  -9.590 210.370  1.00  0.00           C
ATOM     93  CA  PRO    94     124.930 -11.240 212.640  1.00  0.00           C
ATOM     94  CA  ALA     2      97.660 -16.780 208.620  1.00  0.00           C
ATOM     95  CA  CYS     3      98.900 -18.630 205.560  1.00  0.00           C
ATOM     96  CA  PRO     4     102.520 -19.820 204.740  1.00  0.00           C
ATOM     97  CA  LEU     5     102.680 -17.410 201.660  1.00  0.00           C
ATOM     98  CA  GLU     6     102.420 -14.430 204.160  1.00  0.00           C
ATOM     99  CA  LYS     7     105.640 -16.170 205.710  1.00  0.00           C
ATOM    100  CA  ALA     8     107.460 -17.250 202.520  1.00  0.00           C
ATOM    101  CA  LEU     9     107.820 -13.640 201.520  1.00  0.00           C
ATOM    102  CA  ASP    10     109.730 -13.390 204.880  1.00  0.00           C
ATOM    103  CA  VAL    11     111.990 -16.470 204.220  1.00  0.00           C
ATOM    104  CA  MET    12     112.740 -15.080 200.710  1.00  0.00           C
ATOM    105  CA  VAL    13     114.130 -11.750 202.000  1.00  0.00           C
ATOM    106  CA  SER    14     115.650 -13.100 205.320  1.00  0.00           C
ATOM    107  CA  THR    15     117.800 -15.990 203.780  1.00  0.00           C
ATOM    108  CA  PHE    16     119.890 -13.560 201.710  1.00  0.00           C
ATOM    109  CA  HIS    17     120.190 -11.220 204.670  1.00  0.00           C
ATOM    110  CA  LYS    18     121.330 -14.040 206.820  1.00  0.00           C
ATOM    111  CA  TYR    19     124.640 -13.980 204.720  1.00  0.00           C
ATOM    112  CA  SER    20     124.840 -10.470 203.010  1.00  0.00           C
ATOM    113  CA  GLY    21     126.960  -9.160 205.880  1.00  0.00           C
ATOM    114  CA  LYS    22     129.530 -11.870 206.890  1.00  0.00           C
ATOM    115  CA  GLU    23     132.330  -9.860 205.270  1.00  0.00           C
ATOM    116  CA  GLY    24     132.800  -6.540 203.270  1.00  0.00           C
ATOM    117  CA  ASP    25     129.610  -4.570 202.620  1.00  0.00           C
ATOM    118  CA  LYS    26     126.580  -5.760 204.760  1.00  0.00           C
ATOM    119  CA  PHE    27     124.080  -5.800 201.740  1.00  0.00           C
ATOM    120  CA  LYS    28     125.560  -8.140 199.000  1.00  0.00           C
ATOM    121  CA  LEU    29     126.830 -11.800 198.580  1.00  0.00           C
ATOM    122  CA  ASN    30     130.460 -12.280 197.930  1.00  0.00           C
ATOM    123  CA  LYS    31     131.580 -15.770 196.450  1.00  0.00           C
ATOM    124  CA  SER    32     132.090 -17.000 200.060  1.00  0.00           C
ATOM    125  CA  GLU    33     128.700 -15.620 201.250  1.00  0.00           C
ATOM    126  CA  LEU    34     126.830 -17.220 198.290  1.00  0.00           C
ATOM    127  CA  LYS    35     128.510 -20.590 199.280  1.00  0.00           C
ATOM    128  CA  GLU    36     127.520 -20.150 202.940  1.00  0.00           C
ATOM    129  CA  LEU    37     123.950 -19.460 201.820  1.00  0.00           C
ATOM    130  CA  LEU    38     123.880 -22.260 199.160  1.00  0.00           C
ATOM    131  CA  THR    39     125.440 -24.870 201.640  1.00  0.00           C
ATOM    132  CA  ARG    40     123.170 -24.070 204.640  1.00  0.00           C
ATOM    133  CA  GLU    41     119.870 -22.820 203.090  1.00  0.00           C
ATOM    134  CA  LEU    42     119.580 -24.400 199.580  1.00  0.00           C
ATOM    135  CA  PRO    43     121.660 -27.650 199.970  1.00  0.00           C
ATOM    136  CA  SER    44     119.470 -30.240 198.020  1.00  0.00           C
ATOM    137  CA  PHE    45     120.270 -27.970 194.950  1.00  0.00           C
ATOM    138  CA  LEU    46     124.100 -28.590 195.000  1.00  0.00           C
ATOM    139  CA  GLY    47     125.430 -30.550 191.930  1.00  0.00           C
ATOM    140  CA  LYS    48     127.920 -33.420 191.580  1.00  0.00           C
ATOM    141  CA  ARG    49     130.810 -30.850 190.860  1.00  0.00           C
ATOM    142  CA  THR    50     132.340 -29.010 193.840  1.00  0.00           C
ATOM    143  CA  ASP    51     135.500 -27.430 192.370  1.00  0.00           C
ATOM    144  CA  GLU    52     136.220 -23.580 192.310  1.00  0.00           C
ATOM    145  CA  ALA    53     135.550 -23.540 188.440  1.00  0.00           C
ATOM    146  CA  ALA    54     132.100 -25.320 188.760  1.00  0.00           C
ATOM    147  CA  PHE    55     130.820 -22.370 191.000  1.00  0.00           C
ATOM    148  CA  GLN    56     132.360 -19.640 188.920  1.00  0.00           C
ATOM    149  CA  LYS    57     130.000 -20.560 185.940  1.00  0.00           C
ATOM    150  CA  LEU    58     127.070 -19.860 188.190  1.00  0.00           C
ATOM    151  CA  MET    59     128.660 -16.710 189.940  1.00  0.00           C
ATOM    152  CA  SER    60     129.720 -15.070 186.530  1.00  0.00           C
ATOM    153  CA  ASN    61     126.090 -15.230 185.320  1.00  0.00           C
ATOM    154  CA  LEU    62     124.750 -13.300 188.230  1.00  0.00           C
ATOM    155  CA  ASP    63     126.470  -9.960 187.490  1.00  0.00           C
ATOM    156  CA  SER    64     124.980  -6.830 185.960  1.00  0.00           C
ATOM    157  CA  ASN    65     127.510  -4.100 187.220  1.00  0.00           C
ATOM    158  CA  ARG    66     131.070  -5.590 186.940  1.00  0.00           C
ATOM    159  CA  ASP    67     131.900  -6.150 190.690  1.00  0.00           C
ATOM    160  CA  ASN    68     131.850 -10.000 191.300  1.00  0.00           C
ATOM    161  CA  GLU    69     129.520  -9.620 194.450  1.00  0.00           C
ATOM    162  CA  VAL    70     125.710 -10.590 194.160  1.00  0.00           C
ATOM    163  CA  ASP    71     122.930  -8.080 194.750  1.00  0.00           C
ATOM    164  CA  PHE    72     119.430  -8.790 196.040  1.00  0.00           C
ATOM    165  CA  GLN    73     118.010  -7.940 192.490  1.00  0.00           C
ATOM    166  CA  GLU    74     120.490 -10.410 190.750  1.00  0.00           C
ATOM    167  CA  TYR    75     119.700 -13.260 193.250  1.00  0.00           C
ATOM    168  CA  CYS    76     115.870 -12.770 192.810  1.00  0.00           C
ATOM    169  CA  VAL    77     116.290 -13.880 189.110  1.00  0.00           C
ATOM    170  CA  PHE    78     118.210 -16.970 190.290  1.00  0.00           C
ATOM    171  CA  LEU    79     115.550 -17.820 192.990  1.00  0.00           C
ATOM    172  CA  SER    80     112.810 -17.440 190.320  1.00  0.00           C
ATOM    173  CA  CYS    81     114.720 -19.900 188.130  1.00  0.00           C
ATOM    174  CA  ILE    82     114.620 -22.370 191.090  1.00  0.00           C
ATOM    175  CA  ALA    83     110.880 -21.800 191.380  1.00  0.00           C
ATOM    176  CA  MET    84     110.220 -23.060 187.740  1.00  0.00           C
ATOM    177  CA  MET    85     112.410 -26.170 188.470  1.00  0.00           C
ATOM    178  CA  CYS    86     110.230 -27.110 191.480  1.00  0.00           C
ATOM    179  CA  ASN    87     107.190 -26.320 189.250  1.00  0.00           C
ATOM    180  CA  GLU    88     108.490 -28.790 186.540  1.00  0.00           C
ATOM    181  CA  PHE    89     109.200 -31.400 189.320  1.00  0.00           C
ATOM    182  CA  PHE    90     105.480 -31.000 190.260  1.00  0.00           C
ATOM    183  CA  GLU    91     104.420 -31.560 186.580  1.00  0.00           C
ATOM    184  CA  GLY    92     106.150 -35.010 186.380  1.00  0.00           C
ATOM    185  CA  PHE    93     108.960 -34.120 183.840  1.00  0.00           C
ATOM    186  CA  PRO    94     112.840 -34.610 183.900  1.00  0.00           C
ATOM    187  CA  TYR  1893     100.910  -3.190 208.600  1.00  0.00           C
ATOM    188  CA  ARG  1894     102.310  -2.320 205.240  1.00  0.00           C
ATOM    189  CA  LYS  1895     105.050   0.340 205.220  1.00  0.00           C
ATOM    190  CA  LEU  1896     104.450   1.620 201.600  1.00  0.00           C
ATOM    191  CA  GLN  1897     101.230   2.620 199.640  1.00  0.00           C
ATOM    192  CA  ARG  1898      99.970   0.420 196.820  1.00  0.00           C
ATOM    193  CA  GLU  1899     102.960  -2.000 196.850  1.00  0.00           C
ATOM    194  CA  LEU  1900     101.600  -4.840 194.570  1.00  0.00           C
ATOM    195  CA  GLU  1901     101.480  -2.000 191.840  1.00  0.00           C
ATOM    196  CA  ASP  1902     105.280  -1.590 192.150  1.00  0.00           C
ATOM    197  CA  ALA  1903     105.900  -5.370 192.260  1.00  0.00           C
ATOM    198  CA  THR  1904     103.900  -5.870 189.110  1.00  0.00           C
ATOM    199  CA  GLU  1905     105.890  -3.110 187.190  1.00  0.00           C
ATOM    200  CA  THR  1906     109.220  -4.580 188.740  1.00  0.00           C
ATOM    201  CA  ALA  1907     108.460  -8.070 187.330  1.00  0.00           C
ATOM    202  CA  ASP  1908     109.040  -6.640 183.730  1.00  0.00           C
ATOM    203  CA  ALA  1909     112.600  -6.090 184.680  1.00  0.00           C
ATOM    204  CA  MET  1910     112.890 -10.000 185.650  1.00  0.00           C
ATOM    205  CA  ASN  1911     110.530 -11.800 183.240  1.00  0.00           C
ATOM    206  CA  ARG  1912     113.240 -11.710 180.410  1.00  0.00           C
ATOM    207  CA  GLU  1913     116.310 -12.150 182.750  1.00  0.00           C
ATOM    208  CA  VAL  1914     115.130 -15.580 184.050  1.00  0.00           C
ATOM    209  CA  SER  1915     115.320 -16.800 180.420  1.00  0.00           C
ATOM    210  CA  SER  1916     119.150 -16.310 180.360  1.00  0.00           C
ATOM    211  CA  LEU  1917     119.830 -18.540 183.420  1.00  0.00           C
ATOM    212  CA  LYS  1918     116.920 -21.160 183.620  1.00  0.00           C
ATOM    213  CA  ASN  1919     117.690 -23.440 180.620  1.00  0.00           C
ATOM    214  CA  LYS  1920     121.550 -23.390 181.480  1.00  0.00           C
ATOM    215  CA  LEU  1921     120.790 -24.350 185.230  1.00  0.00           C
ATOM    216  CA  ARG  1922     118.270 -27.120 184.020  1.00  0.00           C
ATOM    217  CA  ARG  1923     121.000 -28.700 181.770  1.00  0.00           C
ATOM    218  CA  GLY  1924     123.700 -28.830 184.540  1.00  0.00           C
ATOM    219  CA  ASP  1925     125.600 -25.940 182.740  1.00  0.00           C
ATOM    220  CA  LEU  1926     126.300 -23.990 186.100  1.00  0.00           C
ATOM    221  CA  PRO  1927     127.900 -26.860 187.440  1.00  0.00           C
ATOM    222  CA  PHE  1928     127.920 -26.340 191.300  1.00  0.00           C
ATOM    223  CA  VAL  1929     124.030 -26.460 191.180  1.00  0.00           C
ATOM    224  CA  VAL  1930     121.520 -29.330 190.110  1.00  0.00           C
ATOM    225  CA  PRO  1931     119.680 -30.010 186.740  1.00  0.00           C
ATOM    226  CA  ARG  1932     116.400 -30.790 188.630  1.00  0.00           C
ATOM    227  CA  ARG  1933     114.630 -30.880 192.180  1.00  0.00           C
ATOM    228  CA  MET  1934     116.210 -33.740 194.050  1.00  0.00           C
ATOM    229  CA  ALA  1935     114.590 -33.540 197.590  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.