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***  with_ca_3_1  ***

elNémo ID: 210115080257113032

Job options:

ID        	=	 210115080257113032
JOBID     	=	 with_ca_3_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_3_1

REMARK    GENERATED BY TRJCONV
TITLE     Protein in water t= 600000.00000 step= 300000000
REMARK    THIS IS A SIMULATION BOX
CRYST1   89.255   89.255   89.255  60.00  60.00  90.00 P 1           1
MODEL        1
ATOM      1  CA  ALA     2     157.920 204.740 124.650  1.00  0.00           C
ATOM      2  CA  CYS     3     156.840 202.200 127.290  1.00  0.00           C
ATOM      3  CA  PRO     4     159.570 201.390 130.120  1.00  0.00           C
ATOM      4  CA  LEU     5     160.630 198.180 128.330  1.00  0.00           C
ATOM      5  CA  GLU     6     161.030 199.930 124.880  1.00  0.00           C
ATOM      6  CA  LYS     7     163.160 202.650 126.580  1.00  0.00           C
ATOM      7  CA  ALA     8     165.280 200.020 128.300  1.00  0.00           C
ATOM      8  CA  LEU     9     165.700 198.250 124.850  1.00  0.00           C
ATOM      9  CA  ASP    10     166.430 201.640 123.160  1.00  0.00           C
ATOM     10  CA  VAL    11     169.530 202.360 125.410  1.00  0.00           C
ATOM     11  CA  MET    12     170.620 198.670 125.180  1.00  0.00           C
ATOM     12  CA  VAL    13     170.740 198.830 121.310  1.00  0.00           C
ATOM     13  CA  SER    14     172.070 202.490 121.530  1.00  0.00           C
ATOM     14  CA  THR    15     175.150 201.180 123.470  1.00  0.00           C
ATOM     15  CA  PHE    16     176.620 199.080 120.560  1.00  0.00           C
ATOM     16  CA  HIS    17     177.820 202.010 118.520  1.00  0.00           C
ATOM     17  CA  LYS    18     179.200 203.720 121.840  1.00  0.00           C
ATOM     18  CA  TYR    19     181.890 200.940 122.080  1.00  0.00           C
ATOM     19  CA  SER    20     182.190 199.000 118.630  1.00  0.00           C
ATOM     20  CA  GLY    21     184.660 201.590 117.270  1.00  0.00           C
ATOM     21  CA  LYS    22     187.010 201.550 120.280  1.00  0.00           C
ATOM     22  CA  GLU    23     189.480 198.920 118.820  1.00  0.00           C
ATOM     23  CA  GLY    24     188.610 199.870 115.240  1.00  0.00           C
ATOM     24  CA  ASP    25     185.880 198.830 112.780  1.00  0.00           C
ATOM     25  CA  LYS    26     182.860 200.620 114.230  1.00  0.00           C
ATOM     26  CA  PHE    27     180.310 198.480 112.450  1.00  0.00           C
ATOM     27  CA  LYS    28     181.080 195.320 114.710  1.00  0.00           C
ATOM     28  CA  LEU    29     181.820 194.850 118.550  1.00  0.00           C
ATOM     29  CA  ASN    30     184.840 192.670 119.560  1.00  0.00           C
ATOM     30  CA  LYS    31     185.740 190.790 122.830  1.00  0.00           C
ATOM     31  CA  SER    32     188.210 193.690 124.000  1.00  0.00           C
ATOM     32  CA  GLU    33     185.640 196.380 123.400  1.00  0.00           C
ATOM     33  CA  LEU    34     182.990 194.130 124.900  1.00  0.00           C
ATOM     34  CA  LYS    35     185.350 193.790 128.080  1.00  0.00           C
ATOM     35  CA  GLU    36     185.620 197.610 128.160  1.00  0.00           C
ATOM     36  CA  LEU    37     181.780 198.060 128.120  1.00  0.00           C
ATOM     37  CA  LEU    38     181.330 195.300 130.900  1.00  0.00           C
ATOM     38  CA  THR    39     183.700 197.230 133.140  1.00  0.00           C
ATOM     39  CA  ARG    40     182.210 200.680 132.380  1.00  0.00           C
ATOM     40  CA  GLU    41     178.630 200.490 131.370  1.00  0.00           C
ATOM     41  CA  LEU    42     177.880 197.830 133.950  1.00  0.00           C
ATOM     42  CA  PRO    43     180.270 198.710 136.910  1.00  0.00           C
ATOM     43  CA  SER    44     178.240 196.150 138.950  1.00  0.00           C
ATOM     44  CA  PHE    45     179.750 193.360 136.780  1.00  0.00           C
ATOM     45  CA  LEU    46     183.460 193.490 135.770  1.00  0.00           C
ATOM     46  CA  GLY    47     183.860 196.740 137.940  1.00  0.00           C
ATOM     47  CA  LYS    48     183.070 194.640 141.140  1.00  0.00           C
ATOM     48  CA  ARG    49     183.560 190.870 140.130  1.00  0.00           C
ATOM     49  CA  THR    50     187.200 189.410 139.960  1.00  0.00           C
ATOM     50  CA  ASP    51     186.680 186.860 137.120  1.00  0.00           C
ATOM     51  CA  GLU    52     185.940 187.520 133.440  1.00  0.00           C
ATOM     52  CA  ALA    53     185.390 184.180 131.550  1.00  0.00           C
ATOM     53  CA  ALA    54     181.600 183.970 131.970  1.00  0.00           C
ATOM     54  CA  PHE    55     180.920 186.770 129.510  1.00  0.00           C
ATOM     55  CA  GLN    56     183.430 185.170 127.170  1.00  0.00           C
ATOM     56  CA  LYS    57     181.910 181.660 127.410  1.00  0.00           C
ATOM     57  CA  LEU    58     178.670 183.480 126.600  1.00  0.00           C
ATOM     58  CA  MET    59     180.380 184.910 123.460  1.00  0.00           C
ATOM     59  CA  SER    60     181.670 181.480 122.210  1.00  0.00           C
ATOM     60  CA  ASN    61     178.150 179.960 122.880  1.00  0.00           C
ATOM     61  CA  LEU    62     177.040 181.970 119.850  1.00  0.00           C
ATOM     62  CA  ASP    63     179.210 180.310 117.130  1.00  0.00           C
ATOM     63  CA  SER    64     180.220 177.000 115.600  1.00  0.00           C
ATOM     64  CA  ASN    65     182.840 179.230 113.800  1.00  0.00           C
ATOM     65  CA  ARG    66     184.140 181.470 116.780  1.00  0.00           C
ATOM     66  CA  ASP    67     185.400 184.930 115.690  1.00  0.00           C
ATOM     67  CA  ASN    68     185.600 186.640 119.180  1.00  0.00           C
ATOM     68  CA  GLU    69     183.160 189.180 117.550  1.00  0.00           C
ATOM     69  CA  VAL    70     179.520 190.250 117.370  1.00  0.00           C
ATOM     70  CA  ASP    71     177.340 191.900 114.780  1.00  0.00           C
ATOM     71  CA  PHE    72     174.390 194.240 115.810  1.00  0.00           C
ATOM     72  CA  GLN    73     171.790 191.260 116.120  1.00  0.00           C
ATOM     73  CA  GLU    74     174.090 188.640 117.810  1.00  0.00           C
ATOM     74  CA  TYR    75     174.770 191.350 120.470  1.00  0.00           C
ATOM     75  CA  CYS    76     171.050 191.560 121.010  1.00  0.00           C
ATOM     76  CA  VAL    77     171.190 187.850 121.870  1.00  0.00           C
ATOM     77  CA  PHE    78     174.420 188.450 123.960  1.00  0.00           C
ATOM     78  CA  LEU    79     172.730 191.260 125.960  1.00  0.00           C
ATOM     79  CA  SER    80     169.670 189.130 126.590  1.00  0.00           C
ATOM     80  CA  CYS    81     172.110 186.470 127.880  1.00  0.00           C
ATOM     81  CA  ILE    82     173.760 189.190 130.160  1.00  0.00           C
ATOM     82  CA  ALA    83     170.290 190.160 131.540  1.00  0.00           C
ATOM     83  CA  MET    84     170.120 186.410 132.880  1.00  0.00           C
ATOM     84  CA  MET    85     173.330 187.180 134.860  1.00  0.00           C
ATOM     85  CA  CYS    86     172.370 190.730 136.050  1.00  0.00           C
ATOM     86  CA  ASN    87     170.120 189.370 138.830  1.00  0.00           C
ATOM     87  CA  GLU    88     171.860 185.940 139.400  1.00  0.00           C
ATOM     88  CA  PHE    89     175.580 186.470 138.910  1.00  0.00           C
ATOM     89  CA  PHE    90     176.380 190.100 139.470  1.00  0.00           C
ATOM     90  CA  GLU    91     174.980 193.010 141.800  1.00  0.00           C
ATOM     91  CA  GLY    92     172.950 194.700 138.970  1.00  0.00           C
ATOM     92  CA  PHE    93     171.190 197.320 141.120  1.00  0.00           C
ATOM     93  CA  PRO    94     169.400 200.450 139.630  1.00  0.00           C
ATOM     94  CA  ALA     2     173.480 203.230 139.710  1.00  0.00           C
ATOM     95  CA  CYS     3     173.810 203.750 135.910  1.00  0.00           C
ATOM     96  CA  PRO     4     171.550 203.810 132.840  1.00  0.00           C
ATOM     97  CA  LEU     5     172.160 200.290 131.550  1.00  0.00           C
ATOM     98  CA  GLU     6     172.090 198.790 135.110  1.00  0.00           C
ATOM     99  CA  LYS     7     168.550 200.390 135.620  1.00  0.00           C
ATOM    100  CA  ALA     8     167.400 199.220 132.170  1.00  0.00           C
ATOM    101  CA  LEU     9     168.690 195.630 132.550  1.00  0.00           C
ATOM    102  CA  ASP    10     166.730 195.660 135.810  1.00  0.00           C
ATOM    103  CA  VAL    11     163.440 196.450 133.800  1.00  0.00           C
ATOM    104  CA  MET    12     164.450 194.070 130.970  1.00  0.00           C
ATOM    105  CA  VAL    13     164.570 191.330 133.660  1.00  0.00           C
ATOM    106  CA  SER    14     161.480 192.680 135.680  1.00  0.00           C
ATOM    107  CA  THR    15     159.400 192.290 132.540  1.00  0.00           C
ATOM    108  CA  PHE    16     159.550 188.510 133.580  1.00  0.00           C
ATOM    109  CA  HIS    17     157.820 189.430 136.990  1.00  0.00           C
ATOM    110  CA  LYS    18     155.340 191.800 135.360  1.00  0.00           C
ATOM    111  CA  TYR    19     153.490 188.730 133.990  1.00  0.00           C
ATOM    112  CA  SER    20     154.960 185.370 135.370  1.00  0.00           C
ATOM    113  CA  GLY    21     152.720 185.820 138.570  1.00  0.00           C
ATOM    114  CA  LYS    22     149.400 186.640 136.510  1.00  0.00           C
ATOM    115  CA  GLU    23     147.890 183.130 136.600  1.00  0.00           C
ATOM    116  CA  GLY    24     149.710 182.370 139.940  1.00  0.00           C
ATOM    117  CA  ASP    25     153.150 180.750 140.270  1.00  0.00           C
ATOM    118  CA  LYS    26     155.420 183.900 139.960  1.00  0.00           C
ATOM    119  CA  PHE    27     158.450 181.670 139.260  1.00  0.00           C
ATOM    120  CA  LYS    28     157.320 180.620 135.670  1.00  0.00           C
ATOM    121  CA  LEU    29     155.740 182.570 132.740  1.00  0.00           C
ATOM    122  CA  ASN    30     153.040 180.570 131.050  1.00  0.00           C
ATOM    123  CA  LYS    31     151.840 180.700 127.490  1.00  0.00           C
ATOM    124  CA  SER    32     148.680 182.640 128.490  1.00  0.00           C
ATOM    125  CA  GLU    33     150.640 185.100 130.700  1.00  0.00           C
ATOM    126  CA  LEU    34     153.130 185.570 127.810  1.00  0.00           C
ATOM    127  CA  LYS    35     150.160 186.220 125.550  1.00  0.00           C
ATOM    128  CA  GLU    36     149.030 188.970 128.170  1.00  0.00           C
ATOM    129  CA  LEU    37     152.500 190.460 127.930  1.00  0.00           C
ATOM    130  CA  LEU    38     152.110 190.260 124.040  1.00  0.00           C
ATOM    131  CA  THR    39     148.830 192.220 124.450  1.00  0.00           C
ATOM    132  CA  ARG    40     149.440 194.810 127.300  1.00  0.00           C
ATOM    133  CA  GLU    41     153.150 195.580 126.970  1.00  0.00           C
ATOM    134  CA  LEU    42     154.010 194.790 123.280  1.00  0.00           C
ATOM    135  CA  PRO    43     150.660 194.620 121.220  1.00  0.00           C
ATOM    136  CA  SER    44     152.410 195.150 117.710  1.00  0.00           C
ATOM    137  CA  PHE    45     154.430 191.900 117.690  1.00  0.00           C
ATOM    138  CA  LEU    46     151.700 189.230 117.240  1.00  0.00           C
ATOM    139  CA  GLY    47     150.490 189.680 113.590  1.00  0.00           C
ATOM    140  CA  LYS    48     153.740 191.700 112.880  1.00  0.00           C
ATOM    141  CA  ARG    49     156.560 189.190 113.820  1.00  0.00           C
ATOM    142  CA  THR    50     154.710 185.900 114.660  1.00  0.00           C
ATOM    143  CA  ASP    51     151.170 184.920 113.720  1.00  0.00           C
ATOM    144  CA  GLU    52     148.670 183.660 116.290  1.00  0.00           C
ATOM    145  CA  ALA    53     148.420 180.500 114.090  1.00  0.00           C
ATOM    146  CA  ALA    54     152.150 179.980 114.880  1.00  0.00           C
ATOM    147  CA  PHE    55     151.930 180.870 118.730  1.00  0.00           C
ATOM    148  CA  GLN    56     152.440 177.200 119.770  1.00  0.00           C
ATOM    149  CA  LYS    57     155.100 176.630 117.070  1.00  0.00           C
ATOM    150  CA  LEU    58     156.720 179.820 118.620  1.00  0.00           C
ATOM    151  CA  MET    59     156.150 178.840 122.320  1.00  0.00           C
ATOM    152  CA  SER    60     157.380 175.180 121.830  1.00  0.00           C
ATOM    153  CA  ASN    61     160.790 176.810 120.650  1.00  0.00           C
ATOM    154  CA  LEU    62     160.730 179.400 123.480  1.00  0.00           C
ATOM    155  CA  ASP    63     160.470 176.560 126.100  1.00  0.00           C
ATOM    156  CA  SER    64     163.470 174.110 126.420  1.00  0.00           C
ATOM    157  CA  ASN    65     162.150 170.990 128.220  1.00  0.00           C
ATOM    158  CA  ARG    66     158.620 170.170 126.870  1.00  0.00           C
ATOM    159  CA  ASP    67     156.280 171.760 129.540  1.00  0.00           C
ATOM    160  CA  ASN    68     155.270 175.030 127.600  1.00  0.00           C
ATOM    161  CA  GLU    69     156.140 177.250 130.710  1.00  0.00           C
ATOM    162  CA  VAL    70     159.100 179.650 130.880  1.00  0.00           C
ATOM    163  CA  ASP    71     161.370 180.050 134.000  1.00  0.00           C
ATOM    164  CA  PHE    72     163.700 182.940 134.810  1.00  0.00           C
ATOM    165  CA  GLN    73     166.660 181.110 133.140  1.00  0.00           C
ATOM    166  CA  GLU    74     164.650 180.320 129.940  1.00  0.00           C
ATOM    167  CA  TYR    75     163.260 183.790 129.670  1.00  0.00           C
ATOM    168  CA  CYS    76     166.530 184.960 127.920  1.00  0.00           C
ATOM    169  CA  VAL    77     165.270 183.250 124.710  1.00  0.00           C
ATOM    170  CA  PHE    78     161.900 185.150 124.570  1.00  0.00           C
ATOM    171  CA  LEU    79     163.920 188.240 125.540  1.00  0.00           C
ATOM    172  CA  SER    80     166.320 187.860 122.520  1.00  0.00           C
ATOM    173  CA  CYS    81     163.460 187.450 120.170  1.00  0.00           C
ATOM    174  CA  ILE    82     162.200 190.980 121.020  1.00  0.00           C
ATOM    175  CA  ALA    83     165.790 192.410 121.370  1.00  0.00           C
ATOM    176  CA  MET    84     166.580 191.090 117.780  1.00  0.00           C
ATOM    177  CA  MET    85     163.320 192.960 116.830  1.00  0.00           C
ATOM    178  CA  CYS    86     164.630 196.280 118.190  1.00  0.00           C
ATOM    179  CA  ASN    87     167.810 195.700 116.090  1.00  0.00           C
ATOM    180  CA  GLU    88     165.560 195.470 112.870  1.00  0.00           C
ATOM    181  CA  PHE    89     163.810 198.660 113.930  1.00  0.00           C
ATOM    182  CA  PHE    90     167.050 200.590 114.170  1.00  0.00           C
ATOM    183  CA  GLU    91     168.530 202.760 111.300  1.00  0.00           C
ATOM    184  CA  GLY    92     170.890 205.300 113.010  1.00  0.00           C
ATOM    185  CA  PHE    93     174.400 203.650 112.260  1.00  0.00           C
ATOM    186  CA  PRO    94     177.620 205.750 112.630  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.