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alanine-dipeptide-implicit.pdb 1.26 KB
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peastman's avatar
Moved Python app layer tests into the main source tree  
peastman committed
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REMARK  ACE                                                         
ATOM      1 1HH3 ACE     1       2.000   1.000  -0.000
ATOM      2  CH3 ACE     1       2.000   2.090   0.000
ATOM      3 2HH3 ACE     1       1.486   2.454   0.890
ATOM      4 3HH3 ACE     1       1.486   2.454  -0.890
ATOM      5  C   ACE     1       3.427   2.641  -0.000
ATOM      6  O   ACE     1       4.391   1.877  -0.000
ATOM      7  N   ALA     2       3.555   3.970  -0.000
ATOM      8  H   ALA     2       2.733   4.556  -0.000
ATOM      9  CA  ALA     2       4.853   4.614  -0.000
ATOM     10  HA  ALA     2       5.408   4.316   0.890
ATOM     11  CB  ALA     2       5.661   4.221  -1.232
ATOM     12 1HB  ALA     2       5.123   4.521  -2.131
ATOM     13 2HB  ALA     2       6.630   4.719  -1.206
ATOM     14 3HB  ALA     2       5.809   3.141  -1.241
ATOM     15  C   ALA     2       4.713   6.129   0.000
ATOM     16  O   ALA     2       3.601   6.653   0.000
ATOM     17  N   NME     3       5.846   6.835   0.000
ATOM     18  H   NME     3       6.737   6.359  -0.000
ATOM     19  CH3 NME     3       5.846   8.284   0.000
ATOM     20 1HH3 NME     3       4.819   8.648   0.000
ATOM     21 2HH3 NME     3       6.360   8.648   0.890
ATOM     22 3HH3 NME     3       6.360   8.648  -0.890
TER   
END