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ala_ala_ala.crd 2.37 KB
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Support all values of NBXMod in CHARMM parameter files  
peastman committed
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* NONE *
*  DATE:     9/ 5/19     10:32: 5      CREATED BY USER: peastman
*
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    1    1 ALA  N      0.02400  -0.10300  -0.10100 AAL  1      0.00000
    2    1 ALA  HT1    0.02700  -1.13200  -0.23900 AAL  1      0.00000
    3    1 ALA  HT2   -0.80500   0.16300   0.47100 AAL  1      0.00000
    4    1 ALA  HT3   -0.05900   0.38400  -1.01900 AAL  1      0.00000
    5    1 ALA  CA     1.24700   0.37500   0.63600 AAL  1      0.00000
    6    1 ALA  HA     0.81400   0.86100   1.49500 AAL  1      0.00000
    7    1 ALA  CB     2.05700  -0.77200   1.28900 AAL  1      0.00000
    8    1 ALA  HB1    3.13600  -0.75200   1.03200 AAL  1      0.00000
    9    1 ALA  HB2    1.99000  -0.64100   2.39500 AAL  1      0.00000
   10    1 ALA  HB3    1.65600  -1.78200   1.06300 AAL  1      0.00000
   11    1 ALA  C      1.95600   1.57900   0.03600 AAL  1      0.00000
   12    1 ALA  O      1.21900   2.52500  -0.20100 AAL  1      0.00000
   13    2 ALA  N      3.28900   1.63100  -0.20200 AAL  2      0.00000
   14    2 ALA  HN     3.93900   0.86800  -0.17400 AAL  2      0.00000
   15    2 ALA  CA     3.99000   2.90900  -0.21500 AAL  2      0.00000
   16    2 ALA  HA     3.74200   3.44000   0.69500 AAL  2      0.00000
   17    2 ALA  CB     3.66200   3.80200  -1.43400 AAL  2      0.00000
   18    2 ALA  HB1    4.19200   4.77800  -1.35800 AAL  2      0.00000
   19    2 ALA  HB2    3.95600   3.31100  -2.38200 AAL  2      0.00000
   20    2 ALA  HB3    2.57700   4.02700  -1.46700 AAL  2      0.00000
   21    2 ALA  C      5.48700   2.65400  -0.12800 AAL  2      0.00000
   22    2 ALA  O      5.88900   1.48900  -0.13700 AAL  2      0.00000
   23    3 ALA  N      6.27500   3.73300  -0.03700 AAL  3      0.00000
   24    3 ALA  HN     5.96300   4.69100  -0.02800 AAL  3      0.00000
   25    3 ALA  CA     7.70700   3.80200   0.06800 AAL  3      0.00000
   26    3 ALA  HA     8.16000   3.41800  -0.83300 AAL  3      0.00000
   27    3 ALA  CB     8.23300   3.09300   1.33300 AAL  3      0.00000
   28    3 ALA  HB1    9.34200   3.14900   1.35600 AAL  3      0.00000
   29    3 ALA  HB2    7.83500   3.59300   2.24000 AAL  3      0.00000
   30    3 ALA  HB3    7.92300   2.03000   1.33200 AAL  3      0.00000
   31    3 ALA  C      8.01800   5.32300   0.13600 AAL  3      0.00000
   32    3 ALA  OT1    7.03200   6.11900   0.12700 AAL  3      0.00000
   33    3 ALA  OT2    9.21900   5.69200   0.18800 AAL  3      0.00000