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***  ca_3  ***

elNémo ID: 210115080105107829

Job options:

ID        	=	 210115080105107829
JOBID     	=	 ca_3
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_3

REMARK    GENERATED BY TRJCONV
TITLE     Protein in water t= 700000.00000 step= 350000000
REMARK    THIS IS A SIMULATION BOX
CRYST1   80.297   80.297   80.297  60.00  60.00  90.00 P 1           1
MODEL        1
ATOM      1  CA  ALA     2      51.910 199.950-109.910  1.00  0.00           C
ATOM      2  CA  CYS     3      48.980 199.830-112.370  1.00  0.00           C
ATOM      3  CA  PRO     4      46.950 203.100-112.070  1.00  0.00           C
ATOM      4  CA  LEU     5      43.650 201.120-112.500  1.00  0.00           C
ATOM      5  CA  GLU     6      43.240 201.580-108.690  1.00  0.00           C
ATOM      6  CA  LYS     7      42.090 205.140-109.560  1.00  0.00           C
ATOM      7  CA  ALA     8      39.210 203.750-111.720  1.00  0.00           C
ATOM      8  CA  LEU     9      37.720 201.140-109.340  1.00  0.00           C
ATOM      9  CA  ASP    10      37.320 203.720-106.540  1.00  0.00           C
ATOM     10  CA  VAL    11      34.610 205.570-108.780  1.00  0.00           C
ATOM     11  CA  MET    12      33.250 202.500-110.850  1.00  0.00           C
ATOM     12  CA  VAL    13      29.900 202.240-108.830  1.00  0.00           C
ATOM     13  CA  SER    14      29.430 205.920-108.060  1.00  0.00           C
ATOM     14  CA  THR    15      29.820 206.720-111.760  1.00  0.00           C
ATOM     15  CA  PHE    16      26.850 204.410-112.250  1.00  0.00           C
ATOM     16  CA  HIS    17      24.840 205.810-109.170  1.00  0.00           C
ATOM     17  CA  LYS    18      25.180 209.200-110.960  1.00  0.00           C
ATOM     18  CA  TYR    19      22.600 208.090-113.750  1.00  0.00           C
ATOM     19  CA  SER    20      20.900 204.860-112.500  1.00  0.00           C
ATOM     20  CA  GLY    21      17.580 204.610-110.410  1.00  0.00           C
ATOM     21  CA  LYS    22      16.360 207.960-112.080  1.00  0.00           C
ATOM     22  CA  GLU    23      13.250 205.920-113.370  1.00  0.00           C
ATOM     23  CA  GLY    24      13.070 203.550-110.310  1.00  0.00           C
ATOM     24  CA  ASP    25      15.380 200.590-109.520  1.00  0.00           C
ATOM     25  CA  LYS    26      18.930 201.820-108.530  1.00  0.00           C
ATOM     26  CA  PHE    27      20.560 198.640-109.960  1.00  0.00           C
ATOM     27  CA  LYS    28      18.860 199.490-113.320  1.00  0.00           C
ATOM     28  CA  LEU    29      19.480 202.290-115.900  1.00  0.00           C
ATOM     29  CA  ASN    30      17.890 203.720-119.160  1.00  0.00           C
ATOM     30  CA  LYS    31      19.570 203.260-122.510  1.00  0.00           C
ATOM     31  CA  SER    32      19.200 207.060-123.270  1.00  0.00           C
ATOM     32  CA  GLU    33      21.090 207.780-120.030  1.00  0.00           C
ATOM     33  CA  LEU    34      23.760 205.000-120.670  1.00  0.00           C
ATOM     34  CA  LYS    35      24.140 207.190-123.880  1.00  0.00           C
ATOM     35  CA  GLU    36      24.810 210.140-121.540  1.00  0.00           C
ATOM     36  CA  LEU    37      27.190 208.230-119.200  1.00  0.00           C
ATOM     37  CA  LEU    38      29.340 206.760-122.090  1.00  0.00           C
ATOM     38  CA  THR    39      29.570 210.360-123.680  1.00  0.00           C
ATOM     39  CA  ARG    40      30.020 212.340-120.330  1.00  0.00           C
ATOM     40  CA  GLU    41      32.020 210.270-117.740  1.00  0.00           C
ATOM     41  CA  LEU    42      34.380 208.960-120.460  1.00  0.00           C
ATOM     42  CA  PRO    43      36.780 211.570-122.170  1.00  0.00           C
ATOM     43  CA  SER    44      36.690 211.950-125.980  1.00  0.00           C
ATOM     44  CA  PHE    45      39.810 209.630-126.770  1.00  0.00           C
ATOM     45  CA  LEU    46      40.050 205.890-127.800  1.00  0.00           C
ATOM     46  CA  GLY    47      43.450 204.770-126.700  1.00  0.00           C
ATOM     47  CA  LYS    48      45.210 203.160-129.780  1.00  0.00           C
ATOM     48  CA  ARG    49      42.580 204.690-132.240  1.00  0.00           C
ATOM     49  CA  THR    50      42.420 208.340-133.360  1.00  0.00           C
ATOM     50  CA  ASP    51      38.890 207.950-134.960  1.00  0.00           C
ATOM     51  CA  GLU    52      35.430 208.080-133.360  1.00  0.00           C
ATOM     52  CA  ALA    53      33.330 206.320-136.010  1.00  0.00           C
ATOM     53  CA  ALA    54      33.190 202.890-134.010  1.00  0.00           C
ATOM     54  CA  PHE    55      31.940 204.830-130.970  1.00  0.00           C
ATOM     55  CA  GLN    56      29.450 206.710-133.090  1.00  0.00           C
ATOM     56  CA  LYS    57      28.420 203.170-134.440  1.00  0.00           C
ATOM     57  CA  LEU    58      27.880 201.830-130.850  1.00  0.00           C
ATOM     58  CA  MET    59      26.000 205.100-129.820  1.00  0.00           C
ATOM     59  CA  SER    60      23.740 204.990-133.080  1.00  0.00           C
ATOM     60  CA  ASN    61      22.870 201.290-132.690  1.00  0.00           C
ATOM     61  CA  LEU    62      21.820 201.880-128.990  1.00  0.00           C
ATOM     62  CA  ASP    63      19.370 204.820-129.780  1.00  0.00           C
ATOM     63  CA  SER    64      17.520 202.720-132.330  1.00  0.00           C
ATOM     64  CA  ASN    65      17.380 199.710-129.930  1.00  0.00           C
ATOM     65  CA  ARG    66      13.970 198.260-128.880  1.00  0.00           C
ATOM     66  CA  ASP    67      14.430 197.260-125.200  1.00  0.00           C
ATOM     67  CA  ASN    68      14.490 200.270-122.790  1.00  0.00           C
ATOM     68  CA  GLU    69      16.630 199.230-119.650  1.00  0.00           C
ATOM     69  CA  VAL    70      20.060 197.900-118.610  1.00  0.00           C
ATOM     70  CA  ASP    71      21.480 196.480-115.370  1.00  0.00           C
ATOM     71  CA  PHE    72      24.760 197.160-113.440  1.00  0.00           C
ATOM     72  CA  GLN    73      26.520 193.950-114.550  1.00  0.00           C
ATOM     73  CA  GLU    74      25.670 194.800-118.190  1.00  0.00           C
ATOM     74  CA  TYR    75      27.300 198.340-117.820  1.00  0.00           C
ATOM     75  CA  CYS    76      30.510 196.500-116.940  1.00  0.00           C
ATOM     76  CA  VAL    77      30.640 194.710-120.340  1.00  0.00           C
ATOM     77  CA  PHE    78      29.680 198.040-122.240  1.00  0.00           C
ATOM     78  CA  LEU    79      32.580 199.840-120.500  1.00  0.00           C
ATOM     79  CA  SER    80      34.690 196.660-121.440  1.00  0.00           C
ATOM     80  CA  CYS    81      33.440 197.130-125.120  1.00  0.00           C
ATOM     81  CA  ILE    82      34.820 200.710-125.100  1.00  0.00           C
ATOM     82  CA  ALA    83      37.910 199.220-123.580  1.00  0.00           C
ATOM     83  CA  MET    84      38.430 196.650-126.460  1.00  0.00           C
ATOM     84  CA  MET    85      37.830 199.600-128.900  1.00  0.00           C
ATOM     85  CA  CYS    86      40.570 201.460-126.950  1.00  0.00           C
ATOM     86  CA  ASN    87      43.080 198.620-127.870  1.00  0.00           C
ATOM     87  CA  GLU    88      41.450 197.330-131.230  1.00  0.00           C
ATOM     88  CA  PHE    89      40.630 193.850-129.650  1.00  0.00           C
ATOM     89  CA  PHE    90      38.580 191.160-131.360  1.00  0.00           C
ATOM     90  CA  GLU    91      40.450 187.740-130.950  1.00  0.00           C
ATOM     91  CA  GLY    92      39.390 185.460-128.090  1.00  0.00           C
ATOM     92  CA  PHE    93      36.330 187.840-127.470  1.00  0.00           C
ATOM     93  CA  PRO    94      32.650 187.450-128.770  1.00  0.00           C
ATOM     94  CA  ALA     2      35.060 213.020-117.850  1.00  0.00           C
ATOM     95  CA  CYS     3      36.290 211.300-114.620  1.00  0.00           C
ATOM     96  CA  PRO     4      39.170 208.800-113.470  1.00  0.00           C
ATOM     97  CA  LEU     5      37.510 205.760-114.830  1.00  0.00           C
ATOM     98  CA  GLU     6      39.810 206.090-117.910  1.00  0.00           C
ATOM     99  CA  LYS     7      42.550 204.340-115.990  1.00  0.00           C
ATOM    100  CA  ALA     8      40.830 201.040-116.570  1.00  0.00           C
ATOM    101  CA  LEU     9      40.350 201.190-120.330  1.00  0.00           C
ATOM    102  CA  ASP    10      44.060 200.430-121.100  1.00  0.00           C
ATOM    103  CA  VAL    11      44.120 197.050-119.030  1.00  0.00           C
ATOM    104  CA  MET    12      40.600 195.930-117.970  1.00  0.00           C
ATOM    105  CA  VAL    13      40.320 193.680-121.050  1.00  0.00           C
ATOM    106  CA  SER    14      44.070 193.670-121.900  1.00  0.00           C
ATOM    107  CA  THR    15      44.640 191.680-118.750  1.00  0.00           C
ATOM    108  CA  PHE    16      42.150 188.990-120.030  1.00  0.00           C
ATOM    109  CA  HIS    17      43.780 189.280-123.570  1.00  0.00           C
ATOM    110  CA  LYS    18      47.350 188.860-122.100  1.00  0.00           C
ATOM    111  CA  TYR    19      46.240 185.670-120.230  1.00  0.00           C
ATOM    112  CA  SER    20      43.430 183.970-122.260  1.00  0.00           C
ATOM    113  CA  GLY    21      44.070 180.770-124.370  1.00  0.00           C
ATOM    114  CA  LYS    22      47.420 180.210-122.360  1.00  0.00           C
ATOM    115  CA  GLU    23      46.570 176.640-121.200  1.00  0.00           C
ATOM    116  CA  GLY    24      43.400 176.340-123.170  1.00  0.00           C
ATOM    117  CA  ASP    25      40.860 177.940-125.710  1.00  0.00           C
ATOM    118  CA  LYS    26      41.750 181.640-126.670  1.00  0.00           C
ATOM    119  CA  PHE    27      38.000 182.510-125.950  1.00  0.00           C
ATOM    120  CA  LYS    28      38.630 182.000-122.100  1.00  0.00           C
ATOM    121  CA  LEU    29      40.850 182.320-119.000  1.00  0.00           C
ATOM    122  CA  ASN    30      41.890 179.920-116.250  1.00  0.00           C
ATOM    123  CA  LYS    31      40.420 180.620-112.720  1.00  0.00           C
ATOM    124  CA  SER    32      43.810 179.840-110.980  1.00  0.00           C
ATOM    125  CA  GLU    33      45.420 182.720-112.920  1.00  0.00           C
ATOM    126  CA  LEU    34      42.320 185.040-112.500  1.00  0.00           C
ATOM    127  CA  LYS    35      42.530 184.510-108.620  1.00  0.00           C
ATOM    128  CA  GLU    36      46.080 186.170-108.910  1.00  0.00           C
ATOM    129  CA  LEU    37      45.400 188.520-111.980  1.00  0.00           C
ATOM    130  CA  LEU    38      44.120 191.780-110.320  1.00  0.00           C
ATOM    131  CA  THR    39      45.700 191.240-106.800  1.00  0.00           C
ATOM    132  CA  ARG    40      49.040 191.130-108.660  1.00  0.00           C
ATOM    133  CA  GLU    41      48.260 194.410-110.620  1.00  0.00           C
ATOM    134  CA  LEU    42      46.330 196.230-107.680  1.00  0.00           C
ATOM    135  CA  PRO    43      48.900 195.230-104.880  1.00  0.00           C
ATOM    136  CA  SER    44      47.520 197.550-102.030  1.00  0.00           C
ATOM    137  CA  PHE    45      44.130 198.680-103.620  1.00  0.00           C
ATOM    138  CA  LEU    46      42.970 194.950-103.760  1.00  0.00           C
ATOM    139  CA  GLY    47      45.610 192.270-102.880  1.00  0.00           C
ATOM    140  CA  LYS    48      46.120 194.090 -99.490  1.00  0.00           C
ATOM    141  CA  ARG    49      42.660 195.660 -98.940  1.00  0.00           C
ATOM    142  CA  THR    50      42.130 194.970 -95.090  1.00  0.00           C
ATOM    143  CA  ASP    51      38.290 195.250 -95.400  1.00  0.00           C
ATOM    144  CA  GLU    52      36.720 191.720 -95.230  1.00  0.00           C
ATOM    145  CA  ALA    53      33.120 192.830 -96.330  1.00  0.00           C
ATOM    146  CA  ALA    54      33.040 191.190 -99.780  1.00  0.00           C
ATOM    147  CA  PHE    55      36.070 188.880-100.500  1.00  0.00           C
ATOM    148  CA  GLN    56      34.050 185.520 -99.950  1.00  0.00           C
ATOM    149  CA  LYS    57      31.440 187.160-102.350  1.00  0.00           C
ATOM    150  CA  LEU    58      34.220 187.710-104.840  1.00  0.00           C
ATOM    151  CA  MET    59      35.650 184.210-104.470  1.00  0.00           C
ATOM    152  CA  SER    60      32.060 182.790-104.800  1.00  0.00           C
ATOM    153  CA  ASN    61      31.880 184.140-108.350  1.00  0.00           C
ATOM    154  CA  LEU    62      34.590 181.570-109.390  1.00  0.00           C
ATOM    155  CA  ASP    63      32.320 178.740-108.030  1.00  0.00           C
ATOM    156  CA  SER    64      29.070 179.890-109.930  1.00  0.00           C
ATOM    157  CA  ASN    65      30.250 177.820-113.000  1.00  0.00           C
ATOM    158  CA  ARG    66      31.510 174.290-112.330  1.00  0.00           C
ATOM    159  CA  ASP    67      34.520 174.700-114.890  1.00  0.00           C
ATOM    160  CA  ASN    68      38.170 175.780-114.590  1.00  0.00           C
ATOM    161  CA  GLU    69      38.200 178.750-117.120  1.00  0.00           C
ATOM    162  CA  VAL    70      35.970 181.880-117.510  1.00  0.00           C
ATOM    163  CA  ASP    71      34.700 183.630-120.720  1.00  0.00           C
ATOM    164  CA  PHE    72      34.650 187.440-121.290  1.00  0.00           C
ATOM    165  CA  GLN    73      30.960 187.620-120.010  1.00  0.00           C
ATOM    166  CA  GLU    74      31.640 185.590-116.810  1.00  0.00           C
ATOM    167  CA  TYR    75      34.810 187.770-116.270  1.00  0.00           C
ATOM    168  CA  CYS    76      32.490 190.760-116.210  1.00  0.00           C
ATOM    169  CA  VAL    77      30.440 189.400-113.190  1.00  0.00           C
ATOM    170  CA  PHE    78      33.940 189.120-111.480  1.00  0.00           C
ATOM    171  CA  LEU    79      34.760 192.740-112.570  1.00  0.00           C
ATOM    172  CA  SER    80      31.380 193.850-111.090  1.00  0.00           C
ATOM    173  CA  CYS    81      32.400 191.890-107.820  1.00  0.00           C
ATOM    174  CA  ILE    82      35.690 193.830-107.650  1.00  0.00           C
ATOM    175  CA  ALA    83      34.030 197.270-108.250  1.00  0.00           C
ATOM    176  CA  MET    84      31.510 196.620-105.440  1.00  0.00           C
ATOM    177  CA  MET    85      34.390 195.330-103.040  1.00  0.00           C
ATOM    178  CA  CYS    86      36.140 198.700-103.810  1.00  0.00           C
ATOM    179  CA  ASN    87      32.970 200.690-102.960  1.00  0.00           C
ATOM    180  CA  GLU    88      31.400 201.380 -99.510  1.00  0.00           C
ATOM    181  CA  PHE    89      28.240 199.250-100.250  1.00  0.00           C
ATOM    182  CA  PHE    90      27.460 195.970-102.180  1.00  0.00           C
ATOM    183  CA  GLU    91      24.600 194.870-104.530  1.00  0.00           C
ATOM    184  CA  GLY    92      24.040 192.210-107.400  1.00  0.00           C
ATOM    185  CA  PHE    93      24.750 188.450-107.470  1.00  0.00           C
ATOM    186  CA  PRO    94      28.080 186.390-107.760  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.