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ala_ala_ala.pdb 2.68 KB
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Jason Swails's avatar
Add some protection against an uncaught exception in the CharmmFile destructor  
Jason Swails committed
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REMARK *                                                                              
REMARK   DATE:     8/ 5/ 9     14:44:19      CREATED BY USER: mjw                     
ATOM      1  N   ALA     1       0.024  -0.103  -0.101  1.00  0.00      AAL 
ATOM      2  HT1 ALA     1       0.027  -1.132  -0.239  1.00  0.00      AAL 
ATOM      3  HT2 ALA     1      -0.805   0.163   0.471  1.00  0.00      AAL 
ATOM      4  HT3 ALA     1      -0.059   0.384  -1.019  1.00  0.00      AAL 
ATOM      5  CA  ALA     1       1.247   0.375   0.636  1.00  0.00      AAL 
ATOM      6  HA  ALA     1       0.814   0.861   1.495  1.00  0.00      AAL 
ATOM      7  CB  ALA     1       2.057  -0.772   1.289  1.00  0.00      AAL 
ATOM      8  HB1 ALA     1       3.136  -0.752   1.032  1.00  0.00      AAL 
ATOM      9  HB2 ALA     1       1.990  -0.641   2.395  1.00  0.00      AAL 
ATOM     10  HB3 ALA     1       1.656  -1.782   1.063  1.00  0.00      AAL 
ATOM     11  C   ALA     1       1.956   1.579   0.036  1.00  0.00      AAL 
ATOM     12  O   ALA     1       1.219   2.525  -0.201  1.00  0.00      AAL 
ATOM     13  N   ALA     2       3.289   1.631  -0.202  1.00  0.00      AAL 
ATOM     14  HN  ALA     2       3.939   0.868  -0.174  1.00  0.00      AAL 
ATOM     15  CA  ALA     2       3.990   2.909  -0.215  1.00  0.00      AAL 
ATOM     16  HA  ALA     2       3.742   3.440   0.695  1.00  0.00      AAL 
ATOM     17  CB  ALA     2       3.662   3.802  -1.434  1.00  0.00      AAL 
ATOM     18  HB1 ALA     2       4.192   4.778  -1.358  1.00  0.00      AAL 
ATOM     19  HB2 ALA     2       3.956   3.311  -2.382  1.00  0.00      AAL 
ATOM     20  HB3 ALA     2       2.577   4.027  -1.467  1.00  0.00      AAL 
ATOM     21  C   ALA     2       5.487   2.654  -0.128  1.00  0.00      AAL 
ATOM     22  O   ALA     2       5.889   1.489  -0.137  1.00  0.00      AAL 
ATOM     23  N   ALA     3       6.275   3.733  -0.037  1.00  0.00      AAL 
ATOM     24  HN  ALA     3       5.963   4.691  -0.028  1.00  0.00      AAL 
ATOM     25  CA  ALA     3       7.707   3.802   0.068  1.00  0.00      AAL 
ATOM     26  HA  ALA     3       8.160   3.418  -0.833  1.00  0.00      AAL 
ATOM     27  CB  ALA     3       8.233   3.093   1.333  1.00  0.00      AAL 
ATOM     28  HB1 ALA     3       9.342   3.149   1.356  1.00  0.00      AAL 
ATOM     29  HB2 ALA     3       7.835   3.593   2.240  1.00  0.00      AAL 
ATOM     30  HB3 ALA     3       7.923   2.030   1.332  1.00  0.00      AAL 
ATOM     31  C   ALA     3       8.018   5.323   0.136  1.00  0.00      AAL 
ATOM     32  OT1 ALA     3       7.032   6.119   0.127  1.00  0.00      AAL 
ATOM     33  OT2 ALA     3       9.219   5.692   0.188  1.00  0.00      AAL 
TER      34      ALA      3
END