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***  ca_my_2  ***

elNémo ID: 21011507562189230

Job options:

ID        	=	 21011507562189230
JOBID     	=	 ca_my_2
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_2

REMARK    GENERATED BY TRJCONV
TITLE     Protein in water t= 700000.00000 step= 350000000
REMARK    THIS IS A SIMULATION BOX
CRYST1   83.383   83.383   83.383  60.00  60.00  90.00 P 1           1
MODEL        1
ATOM      1  CA  ALA     2     -74.570 163.170  -1.120  1.00  0.00           C
ATOM      2  CA  CYS     3     -77.080 160.510  -0.070  1.00  0.00           C
ATOM      3  CA  PRO     4     -75.310 157.060   0.670  1.00  0.00           C
ATOM      4  CA  LEU     5     -76.100 155.540  -2.860  1.00  0.00           C
ATOM      5  CA  GLU     6     -76.000 159.020  -4.620  1.00  0.00           C
ATOM      6  CA  LYS     7     -72.350 159.380  -3.430  1.00  0.00           C
ATOM      7  CA  ALA     8     -71.530 156.120  -5.390  1.00  0.00           C
ATOM      8  CA  LEU     9     -73.470 157.310  -8.530  1.00  0.00           C
ATOM      9  CA  ASP    10     -71.370 160.530  -8.360  1.00  0.00           C
ATOM     10  CA  VAL    11     -68.380 158.150  -8.650  1.00  0.00           C
ATOM     11  CA  MET    12     -69.810 156.570 -11.860  1.00  0.00           C
ATOM     12  CA  VAL    13     -70.340 160.060 -13.320  1.00  0.00           C
ATOM     13  CA  SER    14     -66.840 161.170 -12.270  1.00  0.00           C
ATOM     14  CA  THR    15     -65.510 158.090 -14.320  1.00  0.00           C
ATOM     15  CA  PHE    16     -67.400 159.210 -17.450  1.00  0.00           C
ATOM     16  CA  HIS    17     -65.800 162.660 -17.370  1.00  0.00           C
ATOM     17  CA  LYS    18     -62.450 160.980 -16.660  1.00  0.00           C
ATOM     18  CA  TYR    19     -62.180 159.510 -20.310  1.00  0.00           C
ATOM     19  CA  SER    20     -65.180 160.680 -22.440  1.00  0.00           C
ATOM     20  CA  GLY    21     -62.800 163.610 -23.580  1.00  0.00           C
ATOM     21  CA  LYS    22     -59.740 161.260 -24.170  1.00  0.00           C
ATOM     22  CA  GLU    23     -59.660 161.560 -28.030  1.00  0.00           C
ATOM     23  CA  GLY    24     -61.730 164.890 -28.040  1.00  0.00           C
ATOM     24  CA  ASP    25     -65.510 165.500 -27.410  1.00  0.00           C
ATOM     25  CA  LYS    26     -66.290 165.020 -23.590  1.00  0.00           C
ATOM     26  CA  PHE    27     -70.040 164.450 -24.170  1.00  0.00           C
ATOM     27  CA  LYS    28     -69.550 160.800 -25.510  1.00  0.00           C
ATOM     28  CA  LEU    29     -67.330 157.750 -24.840  1.00  0.00           C
ATOM     29  CA  ASN    30     -65.590 156.290 -28.060  1.00  0.00           C
ATOM     30  CA  LYS    31     -63.770 152.910 -29.000  1.00  0.00           C
ATOM     31  CA  SER    32     -60.180 153.680 -27.790  1.00  0.00           C
ATOM     32  CA  GLU    33     -61.480 155.730 -24.750  1.00  0.00           C
ATOM     33  CA  LEU    34     -63.670 152.860 -23.370  1.00  0.00           C
ATOM     34  CA  LYS    35     -60.590 150.480 -23.470  1.00  0.00           C
ATOM     35  CA  GLU    36     -58.400 153.100 -21.840  1.00  0.00           C
ATOM     36  CA  LEU    37     -61.120 153.270 -19.120  1.00  0.00           C
ATOM     37  CA  LEU    38     -61.690 149.460 -18.700  1.00  0.00           C
ATOM     38  CA  THR    39     -57.950 148.410 -18.870  1.00  0.00           C
ATOM     39  CA  ARG    40     -57.130 151.010 -16.010  1.00  0.00           C
ATOM     40  CA  GLU    41     -60.390 151.020 -13.860  1.00  0.00           C
ATOM     41  CA  LEU    42     -61.400 147.350 -14.230  1.00  0.00           C
ATOM     42  CA  PRO    43     -58.420 144.960 -15.090  1.00  0.00           C
ATOM     43  CA  SER    44     -60.170 142.880 -12.370  1.00  0.00           C
ATOM     44  CA  PHE    45     -62.670 141.800 -15.100  1.00  0.00           C
ATOM     45  CA  LEU    46     -60.790 141.730 -18.490  1.00  0.00           C
ATOM     46  CA  GLY    47     -58.990 138.770 -20.130  1.00  0.00           C
ATOM     47  CA  LYS    48     -55.200 138.150 -20.920  1.00  0.00           C
ATOM     48  CA  ARG    49     -56.030 139.220 -24.530  1.00  0.00           C
ATOM     49  CA  THR    50     -57.290 142.920 -25.070  1.00  0.00           C
ATOM     50  CA  ASP    51     -56.570 143.530 -28.730  1.00  0.00           C
ATOM     51  CA  GLU    52     -58.920 144.810 -31.580  1.00  0.00           C
ATOM     52  CA  ALA    53     -60.450 141.280 -32.020  1.00  0.00           C
ATOM     53  CA  ALA    54     -60.560 140.690 -28.180  1.00  0.00           C
ATOM     54  CA  PHE    55     -62.650 143.880 -27.860  1.00  0.00           C
ATOM     55  CA  GLN    56     -65.020 143.330 -30.890  1.00  0.00           C
ATOM     56  CA  LYS    57     -68.030 141.760 -29.040  1.00  0.00           C
ATOM     57  CA  LEU    58     -67.340 143.780 -25.810  1.00  0.00           C
ATOM     58  CA  MET    59     -67.800 146.930 -27.990  1.00  0.00           C
ATOM     59  CA  SER    60     -71.140 145.280 -29.150  1.00  0.00           C
ATOM     60  CA  ASN    61     -72.220 145.330 -25.310  1.00  0.00           C
ATOM     61  CA  LEU    62     -71.070 148.970 -24.640  1.00  0.00           C
ATOM     62  CA  ASP    63     -72.720 150.650 -27.720  1.00  0.00           C
ATOM     63  CA  SER    64     -76.260 149.330 -27.760  1.00  0.00           C
ATOM     64  CA  ASN    65     -77.050 150.120 -31.430  1.00  0.00           C
ATOM     65  CA  ARG    66     -74.080 150.250 -33.990  1.00  0.00           C
ATOM     66  CA  ASP    67     -73.050 154.030 -34.170  1.00  0.00           C
ATOM     67  CA  ASN    68     -69.710 152.710 -32.590  1.00  0.00           C
ATOM     68  CA  GLU    69     -70.190 155.450 -29.920  1.00  0.00           C
ATOM     69  CA  VAL    70     -71.440 155.400 -26.270  1.00  0.00           C
ATOM     70  CA  ASP    71     -73.990 157.620 -24.410  1.00  0.00           C
ATOM     71  CA  PHE    72     -74.290 158.180 -20.560  1.00  0.00           C
ATOM     72  CA  GLN    73     -77.610 156.300 -21.150  1.00  0.00           C
ATOM     73  CA  GLU    74     -75.660 153.300 -22.580  1.00  0.00           C
ATOM     74  CA  TYR    75     -72.680 153.670 -20.210  1.00  0.00           C
ATOM     75  CA  CYS    76     -74.760 153.370 -16.990  1.00  0.00           C
ATOM     76  CA  VAL    77     -76.590 150.180 -18.140  1.00  0.00           C
ATOM     77  CA  PHE    78     -73.360 148.450 -19.220  1.00  0.00           C
ATOM     78  CA  LEU    79     -71.820 149.070 -15.760  1.00  0.00           C
ATOM     79  CA  SER    80     -75.220 147.820 -14.300  1.00  0.00           C
ATOM     80  CA  CYS    81     -74.440 144.540 -16.190  1.00  0.00           C
ATOM     81  CA  ILE    82     -71.100 144.310 -14.270  1.00  0.00           C
ATOM     82  CA  ALA    83     -73.410 144.640 -11.280  1.00  0.00           C
ATOM     83  CA  MET    84     -75.330 141.640 -12.550  1.00  0.00           C
ATOM     84  CA  MET    85     -71.930 139.720 -12.570  1.00  0.00           C
ATOM     85  CA  CYS    86     -71.210 140.930  -8.960  1.00  0.00           C
ATOM     86  CA  ASN    87     -74.720 139.810  -7.620  1.00  0.00           C
ATOM     87  CA  GLU    88     -74.640 136.700  -5.490  1.00  0.00           C
ATOM     88  CA  PHE    89     -78.000 135.330  -7.040  1.00  0.00           C
ATOM     89  CA  PHE    90     -77.280 135.500 -10.830  1.00  0.00           C
ATOM     90  CA  GLU    91     -73.570 135.990 -11.650  1.00  0.00           C
ATOM     91  CA  GLY    92     -74.020 137.430 -15.120  1.00  0.00           C
ATOM     92  CA  PHE    93     -75.570 134.220 -16.610  1.00  0.00           C
ATOM     93  CA  PRO    94     -78.900 132.300 -16.170  1.00  0.00           C
ATOM     94  CA  ALA     2     -59.670 148.390  -5.830  1.00  0.00           C
ATOM     95  CA  CYS     3     -60.610 151.380  -7.960  1.00  0.00           C
ATOM     96  CA  PRO     4     -63.380 154.000  -7.110  1.00  0.00           C
ATOM     97  CA  LEU     5     -65.580 152.450  -9.900  1.00  0.00           C
ATOM     98  CA  GLU     6     -65.180 149.080  -8.090  1.00  0.00           C
ATOM     99  CA  LYS     7     -65.960 150.670  -4.670  1.00  0.00           C
ATOM    100  CA  ALA     8     -69.140 152.230  -6.220  1.00  0.00           C
ATOM    101  CA  LEU     9     -70.410 149.210  -8.200  1.00  0.00           C
ATOM    102  CA  ASP    10     -69.910 147.260  -4.940  1.00  0.00           C
ATOM    103  CA  VAL    11     -72.470 149.230  -2.940  1.00  0.00           C
ATOM    104  CA  MET    12     -74.730 149.470  -6.050  1.00  0.00           C
ATOM    105  CA  VAL    13     -74.800 145.600  -5.490  1.00  0.00           C
ATOM    106  CA  SER    14     -74.890 145.360  -1.640  1.00  0.00           C
ATOM    107  CA  THR    15     -77.340 148.270  -1.130  1.00  0.00           C
ATOM    108  CA  PHE    16     -79.960 146.100  -3.010  1.00  0.00           C
ATOM    109  CA  HIS    17     -79.530 143.270  -0.330  1.00  0.00           C
ATOM    110  CA  LYS    18     -79.470 146.100   2.360  1.00  0.00           C
ATOM    111  CA  TYR    19     -83.290 146.160   1.890  1.00  0.00           C
ATOM    112  CA  SER    20     -84.450 143.280  -0.580  1.00  0.00           C
ATOM    113  CA  GLY    21     -84.910 140.590   2.270  1.00  0.00           C
ATOM    114  CA  LYS    22     -86.640 142.800   5.010  1.00  0.00           C
ATOM    115  CA  GLU    23     -90.020 141.400   3.740  1.00  0.00           C
ATOM    116  CA  GLY    24     -90.280 137.780   2.480  1.00  0.00           C
ATOM    117  CA  ASP    25     -87.130 136.650   0.600  1.00  0.00           C
ATOM    118  CA  LYS    26     -84.190 138.590  -0.850  1.00  0.00           C
ATOM    119  CA  PHE    27     -84.680 138.370  -4.600  1.00  0.00           C
ATOM    120  CA  LYS    28     -87.060 141.430  -5.220  1.00  0.00           C
ATOM    121  CA  LEU    29     -87.900 144.760  -3.550  1.00  0.00           C
ATOM    122  CA  ASN    30     -91.520 144.780  -2.030  1.00  0.00           C
ATOM    123  CA  LYS    31     -93.130 148.350  -1.800  1.00  0.00           C
ATOM    124  CA  SER    32     -92.260 147.930   1.970  1.00  0.00           C
ATOM    125  CA  GLU    33     -88.540 147.570   1.050  1.00  0.00           C
ATOM    126  CA  LEU    34     -88.250 150.040  -1.790  1.00  0.00           C
ATOM    127  CA  LYS    35     -89.910 152.860   0.330  1.00  0.00           C
ATOM    128  CA  GLU    36     -87.010 152.400   2.910  1.00  0.00           C
ATOM    129  CA  LEU    37     -84.250 152.360   0.210  1.00  0.00           C
ATOM    130  CA  LEU    38     -85.510 155.720  -1.220  1.00  0.00           C
ATOM    131  CA  THR    39     -86.010 157.350   2.150  1.00  0.00           C
ATOM    132  CA  ARG    40     -82.450 156.190   3.550  1.00  0.00           C
ATOM    133  CA  GLU    41     -79.890 155.990   0.630  1.00  0.00           C
ATOM    134  CA  LEU    42     -81.490 158.440  -2.010  1.00  0.00           C
ATOM    135  CA  PRO    43     -83.790 161.100   0.010  1.00  0.00           C
ATOM    136  CA  SER    44     -82.550 164.080  -2.200  1.00  0.00           C
ATOM    137  CA  PHE    45     -84.720 162.550  -5.020  1.00  0.00           C
ATOM    138  CA  LEU    46     -88.120 162.420  -3.140  1.00  0.00           C
ATOM    139  CA  GLY    47     -90.720 164.500  -5.100  1.00  0.00           C
ATOM    140  CA  LYS    48     -93.610 166.740  -4.320  1.00  0.00           C
ATOM    141  CA  ARG    49     -96.250 164.100  -3.090  1.00  0.00           C
ATOM    142  CA  THR    50     -95.620 161.870  -0.070  1.00  0.00           C
ATOM    143  CA  ASP    51     -98.520 159.420  -0.520  1.00  0.00           C
ATOM    144  CA  GLU    52     -99.050 155.710  -0.950  1.00  0.00           C
ATOM    145  CA  ALA    53    -100.930 156.050  -4.400  1.00  0.00           C
ATOM    146  CA  ALA    54     -97.930 158.130  -5.570  1.00  0.00           C
ATOM    147  CA  PHE    55     -95.680 155.290  -4.390  1.00  0.00           C
ATOM    148  CA  GLN    56     -98.000 152.580  -5.950  1.00  0.00           C
ATOM    149  CA  LYS    57     -97.870 154.790  -9.140  1.00  0.00           C
ATOM    150  CA  LEU    58     -94.030 154.660  -9.020  1.00  0.00           C
ATOM    151  CA  MET    59     -94.240 150.830  -8.510  1.00  0.00           C
ATOM    152  CA  SER    60     -96.550 150.340 -11.580  1.00  0.00           C
ATOM    153  CA  ASN    61     -93.890 152.260 -13.620  1.00  0.00           C
ATOM    154  CA  LEU    62     -90.730 150.520 -12.440  1.00  0.00           C
ATOM    155  CA  ASP    63     -92.330 146.990 -12.350  1.00  0.00           C
ATOM    156  CA  SER    64     -91.970 145.450 -15.880  1.00  0.00           C
ATOM    157  CA  ASN    65     -93.570 141.930 -15.340  1.00  0.00           C
ATOM    158  CA  ARG    66     -96.890 142.280 -13.310  1.00  0.00           C
ATOM    159  CA  ASP    67     -95.780 141.380  -9.780  1.00  0.00           C
ATOM    160  CA  ASN    68     -95.790 144.850  -8.140  1.00  0.00           C
ATOM    161  CA  GLU    69     -92.040 144.220  -6.830  1.00  0.00           C
ATOM    162  CA  VAL    70     -88.690 145.770  -8.040  1.00  0.00           C
ATOM    163  CA  ASP    71     -86.370 143.020  -9.380  1.00  0.00           C
ATOM    164  CA  PHE    72     -82.480 143.650  -9.570  1.00  0.00           C
ATOM    165  CA  GLN    73     -82.960 144.400 -13.390  1.00  0.00           C
ATOM    166  CA  GLU    74     -85.760 147.010 -12.670  1.00  0.00           C
ATOM    167  CA  TYR    75     -83.500 148.360  -9.940  1.00  0.00           C
ATOM    168  CA  CYS    76     -80.770 148.920 -12.660  1.00  0.00           C
ATOM    169  CA  VAL    77     -83.250 150.700 -14.920  1.00  0.00           C
ATOM    170  CA  PHE    78     -84.340 153.050 -12.090  1.00  0.00           C
ATOM    171  CA  LEU    79     -80.840 153.790 -10.890  1.00  0.00           C
ATOM    172  CA  SER    80     -79.910 154.580 -14.610  1.00  0.00           C
ATOM    173  CA  CYS    81     -82.520 157.260 -14.840  1.00  0.00           C
ATOM    174  CA  ILE    82     -81.310 158.590 -11.410  1.00  0.00           C
ATOM    175  CA  ALA    83     -77.660 158.660 -12.660  1.00  0.00           C
ATOM    176  CA  MET    84     -78.730 160.700 -15.710  1.00  0.00           C
ATOM    177  CA  MET    85     -79.830 163.270 -13.150  1.00  0.00           C
ATOM    178  CA  CYS    86     -76.380 162.980 -11.350  1.00  0.00           C
ATOM    179  CA  ASN    87     -74.630 163.590 -14.740  1.00  0.00           C
ATOM    180  CA  GLU    88     -76.600 166.820 -15.270  1.00  0.00           C
ATOM    181  CA  PHE    89     -76.020 168.030 -11.640  1.00  0.00           C
ATOM    182  CA  PHE    90     -72.290 167.170 -11.810  1.00  0.00           C
ATOM    183  CA  GLU    91     -72.080 169.400 -14.990  1.00  0.00           C
ATOM    184  CA  GLY    92     -74.660 172.220 -14.310  1.00  0.00           C
ATOM    185  CA  PHE    93     -76.770 171.790 -17.500  1.00  0.00           C
ATOM    186  CA  PRO    94     -79.610 174.570 -17.840  1.00  0.00           C
ATOM    187  CA  TYR  1893     -56.550 140.330 -15.660  1.00  0.00           C
ATOM    188  CA  ARG  1894     -58.650 137.020 -15.540  1.00  0.00           C
ATOM    189  CA  LYS  1895     -56.640 134.020 -16.820  1.00  0.00           C
ATOM    190  CA  LEU  1896     -58.910 131.160 -17.790  1.00  0.00           C
ATOM    191  CA  GLN  1897     -62.070 133.370 -17.810  1.00  0.00           C
ATOM    192  CA  ARG  1898     -62.560 135.870 -20.640  1.00  0.00           C
ATOM    193  CA  GLU  1899     -66.320 136.030 -20.190  1.00  0.00           C
ATOM    194  CA  LEU  1900     -67.070 139.790 -20.220  1.00  0.00           C
ATOM    195  CA  GLU  1901     -68.220 139.720 -23.990  1.00  0.00           C
ATOM    196  CA  ASP  1902     -70.890 137.100 -23.190  1.00  0.00           C
ATOM    197  CA  ALA  1903     -71.490 138.340 -19.560  1.00  0.00           C
ATOM    198  CA  THR  1904     -72.610 142.070 -20.300  1.00  0.00           C
ATOM    199  CA  GLU  1905     -75.450 141.700 -22.860  1.00  0.00           C
ATOM    200  CA  THR  1906     -78.550 142.790 -20.730  1.00  0.00           C
ATOM    201  CA  ALA  1907     -77.730 146.490 -21.200  1.00  0.00           C
ATOM    202  CA  ASP  1908     -79.440 146.460 -24.690  1.00  0.00           C
ATOM    203  CA  ALA  1909     -82.750 145.350 -22.950  1.00  0.00           C
ATOM    204  CA  MET  1910     -82.400 148.120 -20.200  1.00  0.00           C
ATOM    205  CA  ASN  1911     -81.610 150.940 -22.720  1.00  0.00           C
ATOM    206  CA  ARG  1912     -85.210 150.760 -24.240  1.00  0.00           C
ATOM    207  CA  GLU  1913     -86.940 150.850 -20.790  1.00  0.00           C
ATOM    208  CA  VAL  1914     -84.550 153.680 -19.630  1.00  0.00           C
ATOM    209  CA  SER  1915     -85.230 155.550 -22.970  1.00  0.00           C
ATOM    210  CA  SER  1916     -88.830 155.550 -21.700  1.00  0.00           C
ATOM    211  CA  LEU  1917     -88.450 156.100 -17.840  1.00  0.00           C
ATOM    212  CA  LYS  1918     -86.030 159.110 -18.310  1.00  0.00           C
ATOM    213  CA  ASN  1919     -88.950 160.900 -20.030  1.00  0.00           C
ATOM    214  CA  LYS  1920     -91.880 160.260 -17.620  1.00  0.00           C
ATOM    215  CA  LEU  1921     -89.700 161.660 -14.660  1.00  0.00           C
ATOM    216  CA  ARG  1922     -88.500 164.540 -16.850  1.00  0.00           C
ATOM    217  CA  ARG  1923     -92.320 165.350 -17.300  1.00  0.00           C
ATOM    218  CA  GLY  1924     -93.370 164.890 -13.600  1.00  0.00           C
ATOM    219  CA  ASP  1925     -95.560 161.720 -14.110  1.00  0.00           C
ATOM    220  CA  LEU  1926     -94.120 160.100 -10.840  1.00  0.00           C
ATOM    221  CA  PRO  1927     -94.440 162.890  -8.110  1.00  0.00           C
ATOM    222  CA  PHE  1928     -92.800 160.680  -5.540  1.00  0.00           C
ATOM    223  CA  VAL  1929     -89.520 161.570  -7.490  1.00  0.00           C
ATOM    224  CA  VAL  1930     -88.020 164.920  -8.650  1.00  0.00           C
ATOM    225  CA  PRO  1931     -87.750 165.570 -12.370  1.00  0.00           C
ATOM    226  CA  ARG  1932     -84.020 166.970 -12.050  1.00  0.00           C
ATOM    227  CA  ARG  1933     -81.690 167.170  -8.960  1.00  0.00           C
ATOM    228  CA  MET  1934     -81.970 171.130  -8.760  1.00  0.00           C
ATOM    229  CA  ALA  1935     -83.910 172.960  -5.900  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.