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***  Essai_Carb2  ***

elNémo ID: 201220002212127925

Job options:

ID        	=	 201220002212127925
JOBID     	=	 Essai_Carb2
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 Essai_Carb2

TITLE     Protein
REMARK    THIS IS A SIMULATION BOX
CRYST1   33.522   39.689   38.349  90.00  90.00  90.00 P 1           1
MODEL        1
ATOM      1  CH3 ACE     1       0.950  -0.110   0.070  1.00  0.00            
ATOM      2 1HH3 ACE     1       1.770  -0.840   0.030  1.00  0.00            
ATOM      3 2HH3 ACE     1       0.290  -0.380   0.880  1.00  0.00            
ATOM      4 3HH3 ACE     1       0.390  -0.170  -0.870  1.00  0.00            
ATOM      5  C   ACE     1       1.470   1.300   0.280  1.00  0.00            
ATOM      6  O   ACE     1       0.720   2.170   0.710  1.00  0.00            
ATOM      7  N   GLY     2       2.740   1.540  -0.060  1.00  0.00            
ATOM      8  H   GLY     2       3.280   0.820  -0.510  1.00  0.00            
ATOM      9  CA  GLY     2       3.370   2.850   0.050  1.00  0.00            
ATOM     10  HA1 GLY     2       2.880   3.460   0.820  1.00  0.00            
ATOM     11  HA2 GLY     2       4.400   2.730   0.370  1.00  0.00            
ATOM     12  C   GLY     2       3.370   3.540  -1.320  1.00  0.00            
ATOM     13  O   GLY     2       3.410   2.840  -2.330  1.00  0.00            
ATOM     14  N   PRO     3       3.300   4.890  -1.380  1.00  0.00            
ATOM     15  CA  PRO     3       3.210   5.610  -2.640  1.00  0.00            
ATOM     16  HA  PRO     3       2.410   5.160  -3.240  1.00  0.00            
ATOM     17  CB  PRO     3       2.810   7.040  -2.240  1.00  0.00            
ATOM     18  HB1 PRO     3       3.190   7.810  -2.920  1.00  0.00            
ATOM     19  HB2 PRO     3       1.720   7.130  -2.230  1.00  0.00            
ATOM     20  CG  PRO     3       3.340   7.210  -0.830  1.00  0.00            
ATOM     21  HG1 PRO     3       4.380   7.560  -0.880  1.00  0.00            
ATOM     22  HG2 PRO     3       2.780   7.940  -0.240  1.00  0.00            
ATOM     23  CD  PRO     3       3.310   5.800  -0.230  1.00  0.00            
ATOM     24  HD1 PRO     3       4.160   5.630   0.420  1.00  0.00            
ATOM     25  HD2 PRO     3       2.400   5.670   0.340  1.00  0.00            
ATOM     26  C   PRO     3       4.540   5.580  -3.420  1.00  0.00            
ATOM     27  O   PRO     3       5.600   5.480  -2.790  1.00  0.00            
ATOM     28  N   PRO     4       4.510   5.670  -4.760  1.00  0.00            
ATOM     29  CA  PRO     4       5.730   5.740  -5.570  1.00  0.00            
ATOM     30  HA  PRO     4       6.420   4.950  -5.270  1.00  0.00            
ATOM     31  CB  PRO     4       5.250   5.500  -7.010  1.00  0.00            
ATOM     32  HB1 PRO     4       5.870   6.000  -7.760  1.00  0.00            
ATOM     33  HB2 PRO     4       5.280   4.430  -7.230  1.00  0.00            
ATOM     34  CG  PRO     4       3.810   5.990  -7.030  1.00  0.00            
ATOM     35  HG1 PRO     4       3.800   7.060  -7.250  1.00  0.00            
ATOM     36  HG2 PRO     4       3.200   5.490  -7.780  1.00  0.00            
ATOM     37  CD  PRO     4       3.310   5.760  -5.600  1.00  0.00            
ATOM     38  HD1 PRO     4       2.650   6.570  -5.280  1.00  0.00            
ATOM     39  HD2 PRO     4       2.770   4.820  -5.540  1.00  0.00            
ATOM     40  C   PRO     4       6.420   7.100  -5.400  1.00  0.00            
ATOM     41  O   PRO     4       5.790   8.090  -5.010  1.00  0.00            
ATOM     42  N   GLY     5       7.710   7.170  -5.730  1.00  0.00            
ATOM     43  H   GLY     5       8.150   6.360  -6.150  1.00  0.00            
ATOM     44  CA  GLY     5       8.490   8.390  -5.600  1.00  0.00            
ATOM     45  HA1 GLY     5       8.180   8.940  -4.720  1.00  0.00            
ATOM     46  HA2 GLY     5       9.540   8.130  -5.460  1.00  0.00            
ATOM     47  C   GLY     5       8.370   9.210  -6.890  1.00  0.00            
ATOM     48  O   GLY     5       8.200   8.620  -7.960  1.00  0.00            
ATOM     49  N   PRO     6       8.430  10.560  -6.810  1.00  0.00            
ATOM     50  CA  PRO     6       8.260  11.420  -7.980  1.00  0.00            
ATOM     51  HA  PRO     6       7.350  11.110  -8.490  1.00  0.00            
ATOM     52  CB  PRO     6       8.070  12.830  -7.400  1.00  0.00            
ATOM     53  HB1 PRO     6       8.450  13.620  -8.050  1.00  0.00            
ATOM     54  HB2 PRO     6       7.010  13.020  -7.230  1.00  0.00            
ATOM     55  CG  PRO     6       8.800  12.800  -6.060  1.00  0.00            
ATOM     56  HG1 PRO     6       9.850  13.040  -6.210  1.00  0.00            
ATOM     57  HG2 PRO     6       8.390  13.510  -5.330  1.00  0.00            
ATOM     58  CD  PRO     6       8.680  11.340  -5.600  1.00  0.00            
ATOM     59  HD1 PRO     6       9.590  11.020  -5.080  1.00  0.00            
ATOM     60  HD2 PRO     6       7.840  11.230  -4.920  1.00  0.00            
ATOM     61  C   PRO     6       9.470  11.330  -8.920  1.00  0.00            
ATOM     62  O   PRO     6      10.580  11.070  -8.460  1.00  0.00            
ATOM     63  N   PRO     7       9.280  11.560 -10.240  1.00  0.00            
ATOM     64  CA  PRO     7      10.390  11.580 -11.200  1.00  0.00            
ATOM     65  HA  PRO     7      11.010  10.700 -11.060  1.00  0.00            
ATOM     66  CB  PRO     7       9.710  11.540 -12.580  1.00  0.00            
ATOM     67  HB1 PRO     7      10.280  12.050 -13.360  1.00  0.00            
ATOM     68  HB2 PRO     7       9.580  10.510 -12.890  1.00  0.00            
ATOM     69  CG  PRO     7       8.340  12.180 -12.350  1.00  0.00            
ATOM     70  HG1 PRO     7       8.430  13.260 -12.470  1.00  0.00            
ATOM     71  HG2 PRO     7       7.590  11.830 -13.050  1.00  0.00            
ATOM     72  CD  PRO     7       8.000  11.850 -10.890  1.00  0.00            
ATOM     73  HD1 PRO     7       7.490  12.690 -10.420  1.00  0.00            
ATOM     74  HD2 PRO     7       7.360  10.970 -10.840  1.00  0.00            
ATOM     75  C   PRO     7      11.250  12.840 -11.000  1.00  0.00            
ATOM     76  O   PRO     7      10.790  13.840 -10.440  1.00  0.00            
ATOM     77  N   GLY     8      12.490  12.800 -11.490  1.00  0.00            
ATOM     78  H   GLY     8      12.780  12.000 -12.030  1.00  0.00            
ATOM     79  CA  GLY     8      13.420  13.910 -11.350  1.00  0.00            
ATOM     80  HA1 GLY     8      13.290  14.390 -10.370  1.00  0.00            
ATOM     81  HA2 GLY     8      14.440  13.520 -11.380  1.00  0.00            
ATOM     82  C   GLY     8      13.240  14.880 -12.510  1.00  0.00            
ATOM     83  O   GLY     8      12.870  14.450 -13.610  1.00  0.00            
ATOM     84  N   PRO     9      13.470  16.200 -12.300  1.00  0.00            
ATOM     85  CA  PRO     9      13.240  17.210 -13.340  1.00  0.00            
ATOM     86  HA  PRO     9      12.250  17.050 -13.770  1.00  0.00            
ATOM     87  CB  PRO     9      13.290  18.550 -12.590  1.00  0.00            
ATOM     88  HB1 PRO     9      13.660  19.370 -13.210  1.00  0.00            
ATOM     89  HB2 PRO     9      12.280  18.820 -12.270  1.00  0.00            
ATOM     90  CG  PRO     9      14.170  18.290 -11.380  1.00  0.00            
ATOM     91  HG1 PRO     9      15.210  18.450 -11.660  1.00  0.00            
ATOM     92  HG2 PRO     9      13.950  18.940 -10.540  1.00  0.00            
ATOM     93  CD  PRO     9      13.950  16.810 -11.060  1.00  0.00            
ATOM     94  HD1 PRO     9      14.870  16.340 -10.710  1.00  0.00            
ATOM     95  HD2 PRO     9      13.190  16.700 -10.290  1.00  0.00            
ATOM     96  C   PRO     9      14.320  17.120 -14.430  1.00  0.00            
ATOM     97  O   PRO     9      15.450  16.690 -14.150  1.00  0.00            
ATOM     98  N   PRO    10      14.010  17.520 -15.680  1.00  0.00            
ATOM     99  CA  PRO    10      14.970  17.480 -16.770  1.00  0.00            
ATOM    100  HA  PRO    10      15.450  16.500 -16.800  1.00  0.00            
ATOM    101  CB  PRO    10      14.140  17.670 -18.050  1.00  0.00            
ATOM    102  HB1 PRO    10      14.670  18.200 -18.840  1.00  0.00            
ATOM    103  HB2 PRO    10      13.850  16.700 -18.440  1.00  0.00            
ATOM    104  CG  PRO    10      12.900  18.430 -17.600  1.00  0.00            
ATOM    105  HG1 PRO    10      13.090  19.500 -17.640  1.00  0.00            
ATOM    106  HG2 PRO    10      12.020  18.230 -18.220  1.00  0.00            
ATOM    107  CD  PRO    10      12.700  18.010 -16.140  1.00  0.00            
ATOM    108  HD1 PRO    10      12.340  18.830 -15.530  1.00  0.00            
ATOM    109  HD2 PRO    10      11.980  17.190 -16.080  1.00  0.00            
ATOM    110  C   PRO    10      16.060  18.550 -16.630  1.00  0.00            
ATOM    111  O   PRO    10      15.890  19.580 -15.970  1.00  0.00            
ATOM    112  N   KLX    11      17.170  18.290 -17.330  1.00  0.00            
ATOM    113  H   KLX    11      17.170  17.420 -17.840  1.00  0.00            
ATOM    114  CA  KLX    11      18.280  19.180 -17.620  1.00  0.00            
ATOM    115  HA  KLX    11      18.830  18.640 -18.390  1.00  0.00            
ATOM    116  CB  KLX    11      19.240  19.400 -16.400  1.00  0.00            
ATOM    117  HB1 KLX    11      18.940  20.250 -15.800  1.00  0.00            
ATOM    118  HB2 KLX    11      19.190  18.540 -15.740  1.00  0.00            
ATOM    119  CG  KLX    11      20.680  19.540 -16.930  1.00  0.00            
ATOM    120  HG1 KLX    11      20.860  18.710 -17.610  1.00  0.00            
ATOM    121  HG2 KLX    11      20.760  20.440 -17.550  1.00  0.00            
ATOM    122  CD  KLX    11      21.840  19.540 -15.930  1.00  0.00            
ATOM    123  HD1 KLX    11      21.800  20.420 -15.280  1.00  0.00            
ATOM    124  HD2 KLX    11      21.790  18.670 -15.280  1.00  0.00            
ATOM    125  CE  KLX    11      23.150  19.530 -16.740  1.00  0.00            
ATOM    126  HE1 KLX    11      23.160  18.650 -17.390  1.00  0.00            
ATOM    127  HE2 KLX    11      23.190  20.410 -17.390  1.00  0.00            
ATOM    128  NZ  KLX    11      24.350  19.490 -15.920  1.00  0.00            
ATOM    129  HZ  KLX    11      24.240  19.480 -14.910  1.00  0.00            
ATOM    130  CF  KLX    11      25.600  19.450 -16.370  1.00  0.00            
ATOM    131  OF  KLX    11      26.560  19.400 -15.610  1.00  0.00            
ATOM    132  NF  KLX    11      25.780  19.460 -17.690  1.00  0.00            
ATOM    133  HF1 KLX    11      24.990  19.490 -18.320  1.00  0.00            
ATOM    134  HF2 KLX    11      26.730  19.430 -18.030  1.00  0.00            
ATOM    135  C   KLX    11      17.790  20.460 -18.330  1.00  0.00            
ATOM    136  O   KLX    11      16.940  20.370 -19.210  1.00  0.00            
ATOM    137  N   GLY    12      18.390  21.620 -18.040  1.00  0.00            
ATOM    138  H   GLY    12      19.120  21.630 -17.350  1.00  0.00            
ATOM    139  CA  GLY    12      18.150  22.840 -18.800  1.00  0.00            
ATOM    140  HA1 GLY    12      17.100  22.910 -19.100  1.00  0.00            
ATOM    141  HA2 GLY    12      18.360  23.700 -18.180  1.00  0.00            
ATOM    142  C   GLY    12      19.110  22.850 -20.000  1.00  0.00            
ATOM    143  O   GLY    12      20.230  22.350 -19.860  1.00  0.00            
ATOM    144  N   PRO    13      18.690  23.360 -21.170  1.00  0.00            
ATOM    145  CA  PRO    13      19.520  23.320 -22.380  1.00  0.00            
ATOM    146  HA  PRO    13      19.880  22.310 -22.520  1.00  0.00            
ATOM    147  CB  PRO    13      18.550  23.690 -23.520  1.00  0.00            
ATOM    148  HB1 PRO    13      19.030  24.210 -24.350  1.00  0.00            
ATOM    149  HB2 PRO    13      18.110  22.780 -23.930  1.00  0.00            
ATOM    150  CG  PRO    13      17.470  24.530 -22.870  1.00  0.00            
ATOM    151  HG1 PRO    13      17.780  25.570 -22.860  1.00  0.00            
ATOM    152  HG2 PRO    13      16.510  24.470 -23.380  1.00  0.00            
ATOM    153  CD  PRO    13      17.400  24.010 -21.430  1.00  0.00            
ATOM    154  HD1 PRO    13      17.200  24.820 -20.720  1.00  0.00            
ATOM    155  HD2 PRO    13      16.610  23.270 -21.330  1.00  0.00            
ATOM    156  C   PRO    13      20.700  24.310 -22.290  1.00  0.00            
ATOM    157  O   PRO    13      20.590  25.320 -21.590  1.00  0.00            
ATOM    158  N   PRO    14      21.820  24.040 -22.990  1.00  0.00            
ATOM    159  CA  PRO    14      22.960  24.960 -23.030  1.00  0.00            
ATOM    160  HA  PRO    14      23.220  25.280 -22.020  1.00  0.00            
ATOM    161  CB  PRO    14      24.110  24.140 -23.630  1.00  0.00            
ATOM    162  HB1 PRO    14      24.820  24.730 -24.190  1.00  0.00            
ATOM    163  HB2 PRO    14      24.650  23.640 -22.830  1.00  0.00            
ATOM    164  CG  PRO    14      23.410  23.090 -24.500  1.00  0.00            
ATOM    165  HG1 PRO    14      23.250  23.510 -25.500  1.00  0.00            
ATOM    166  HG2 PRO    14      24.000  22.180 -24.620  1.00  0.00            
ATOM    167  CD  PRO    14      22.070  22.860 -23.820  1.00  0.00            
ATOM    168  HD1 PRO    14      21.270  22.710 -24.550  1.00  0.00            
ATOM    169  HD2 PRO    14      22.120  21.980 -23.180  1.00  0.00            
ATOM    170  C   PRO    14      22.620  26.200 -23.870  1.00  0.00            
ATOM    171  O   PRO    14      21.720  26.170 -24.710  1.00  0.00            
ATOM    172  N   GLY    15      23.370  27.280 -23.670  1.00  0.00            
ATOM    173  H   GLY    15      24.170  27.230 -23.050  1.00  0.00            
ATOM    174  CA  GLY    15      23.150  28.530 -24.390  1.00  0.00            
ATOM    175  HA1 GLY    15      22.080  28.690 -24.550  1.00  0.00            
ATOM    176  HA2 GLY    15      23.500  29.360 -23.770  1.00  0.00            
ATOM    177  C   GLY    15      23.950  28.520 -25.690  1.00  0.00            
ATOM    178  O   GLY    15      25.010  27.890 -25.740  1.00  0.00            
ATOM    179  N   PRO    16      23.470  29.190 -26.760  1.00  0.00            
ATOM    180  CA  PRO    16      24.140  29.180 -28.060  1.00  0.00            
ATOM    181  HA  PRO    16      24.350  28.140 -28.330  1.00  0.00            
ATOM    182  CB  PRO    16      23.100  29.770 -29.030  1.00  0.00            
ATOM    183  HB1 PRO    16      23.550  30.310 -29.870  1.00  0.00            
ATOM    184  HB2 PRO    16      22.500  28.960 -29.460  1.00  0.00            
ATOM    185  CG  PRO    16      22.220  30.660 -28.170  1.00  0.00            
ATOM    186  HG1 PRO    16      22.670  31.660 -28.110  1.00  0.00            
ATOM    187  HG2 PRO    16      21.210  30.780 -28.570  1.00  0.00            
ATOM    188  CD  PRO    16      22.250  30.010 -26.790  1.00  0.00            
ATOM    189  HD1 PRO    16      22.250  30.760 -26.000  1.00  0.00            
ATOM    190  HD2 PRO    16      21.390  29.370 -26.660  1.00  0.00            
ATOM    191  C   PRO    16      25.440  30.000 -28.030  1.00  0.00            
ATOM    192  O   PRO    16      25.540  30.950 -27.250  1.00  0.00            
ATOM    193  N   PRO    17      26.440  29.660 -28.870  1.00  0.00            
ATOM    194  CA  PRO    17      27.680  30.440 -28.970  1.00  0.00            
ATOM    195  HA  PRO    17      28.080  30.620 -27.980  1.00  0.00            
ATOM    196  CB  PRO    17      28.630  29.530 -29.770  1.00  0.00            
ATOM    197  HB1 PRO    17      29.360  30.090 -30.360  1.00  0.00            
ATOM    198  HB2 PRO    17      29.190  28.900 -29.080  1.00  0.00            
ATOM    199  CG  PRO    17      27.720  28.670 -30.630  1.00  0.00            
ATOM    200  HG1 PRO    17      27.500  29.200 -31.560  1.00  0.00            
ATOM    201  HG2 PRO    17      28.160  27.710 -30.890  1.00  0.00            
ATOM    202  CD  PRO    17      26.430  28.540 -29.810  1.00  0.00            
ATOM    203  HD1 PRO    17      25.550  28.560 -30.460  1.00  0.00            
ATOM    204  HD2 PRO    17      26.430  27.610 -29.260  1.00  0.00            
ATOM    205  C   PRO    17      27.430  31.780 -29.670  1.00  0.00            
ATOM    206  O   PRO    17      26.450  31.950 -30.400  1.00  0.00            
ATOM    207  N   GLY    18      28.340  32.740 -29.480  1.00  0.00            
ATOM    208  H   GLY    18      29.180  32.520 -28.960  1.00  0.00            
ATOM    209  CA  GLY    18      28.210  34.070 -30.040  1.00  0.00            
ATOM    210  HA1 GLY    18      27.160  34.370 -30.060  1.00  0.00            
ATOM    211  HA2 GLY    18      28.730  34.780 -29.390  1.00  0.00            
ATOM    212  C   GLY    18      28.870  34.120 -31.430  1.00  0.00            
ATOM    213  O   GLY    18      29.830  33.390 -31.660  1.00  0.00            
ATOM    214  N   PRO    19      28.350  34.950 -32.360  1.00  0.00            
ATOM    215  CA  PRO    19      28.850  35.000 -33.740  1.00  0.00            
ATOM    216  HA  PRO    19      28.900  33.970 -34.110  1.00  0.00            
ATOM    217  CB  PRO    19      27.780  35.780 -34.510  1.00  0.00            
ATOM    218  HB1 PRO    19      28.180  36.340 -35.360  1.00  0.00            
ATOM    219  HB2 PRO    19      27.040  35.080 -34.910  1.00  0.00            
ATOM    220  CG  PRO    19      27.120  36.670 -33.470  1.00  0.00            
ATOM    221  HG1 PRO    19      27.690  37.600 -33.390  1.00  0.00            
ATOM    222  HG2 PRO    19      26.100  36.940 -33.720  1.00  0.00            
ATOM    223  CD  PRO    19      27.250  35.890 -32.160  1.00  0.00            
ATOM    224  HD1 PRO    19      27.420  36.560 -31.320  1.00  0.00            
ATOM    225  HD2 PRO    19      26.330  35.330 -31.980  1.00  0.00            
ATOM    226  C   PRO    19      30.240  35.670 -33.830  1.00  0.00            
ATOM    227  O   PRO    19      30.540  36.540 -33.000  1.00  0.00            
ATOM    228  N   PRO    20      31.080  35.300 -34.820  1.00  0.00            
ATOM    229  CA  PRO    20      32.400  35.900 -35.010  1.00  0.00            
ATOM    230  HA  PRO    20      32.920  35.960 -34.050  1.00  0.00            
ATOM    231  CB  PRO    20      33.130  34.930 -35.950  1.00  0.00            
ATOM    232  HB1 PRO    20      33.880  35.410 -36.580  1.00  0.00            
ATOM    233  HB2 PRO    20      33.640  34.160 -35.360  1.00  0.00            
ATOM    234  CG  PRO    20      32.010  34.280 -36.770  1.00  0.00            
ATOM    235  HG1 PRO    20      31.780  34.910 -37.630  1.00  0.00            
ATOM    236  HG2 PRO    20      32.280  33.290 -37.140  1.00  0.00            
ATOM    237  CD  PRO    20      30.820  34.260 -35.820  1.00  0.00            
ATOM    238  HD1 PRO    20      29.880  34.440 -36.350  1.00  0.00            
ATOM    239  HD2 PRO    20      30.750  33.290 -35.320  1.00  0.00            
ATOM    240  C   PRO    20      32.300  37.310 -35.620  1.00  0.00            
ATOM    241  O   PRO    20      31.400  37.600 -36.410  1.00  0.00            
ATOM    242  N   NH2    21      33.230  38.190 -35.290  1.00  0.00            
ATOM    243  H1  NH2    21      33.950  37.950 -34.630  1.00  0.00            
ATOM    244  H2  NH2    21      33.150  39.120 -35.690  1.00  0.00            
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.