📄 alanin.pdb
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REMARK FILENAME="/usr/people/nonella/xplor/benchmark1/ALANIN.PDB"REMARK PARAM11.PRO ( from PARAM6A )REMARK ===========REMARK PROTEIN PARAMETERS:REMARK PEPTIDE GEOMETRY FROM RAMACHANDRAN ET AL BBA 359:298 (1974)REMARK TORSIONS FROM HAGLER ET AL JACS 98:4600 (1976)REMARK LENNARD-JONES NONBONDED PARAMETERS WITH SPECIAL TREATMENT OF 1:4REMARK CARBON-CARBON INTERACTIONS: JORGENSON ET. AL.REMARK JACS 103:3976-3985 WITH 1-4 RC=1.80/0.1REMARK DATE:16-Feb-89 11:21:32 created by user: nonellaATOM 1 CA ACE 1 -2.184 0.591 0.910 1.00 0.00 MAINATOM 2 C ACE 1 -0.665 0.627 0.966 1.00 0.00 MAINATOM 3 O ACE 1 -0.069 1.213 1.868 1.00 0.00 MAINATOM 4 N ALA 2 0.000 0.000 0.000 1.00 0.00 MAINATOM 5 H ALA 2 -0.490 -0.462 -0.712 1.00 0.00 MAINATOM 6 CA ALA 2 1.450 0.000 0.000 1.00 0.00 MAINATOM 7 CB ALA 2 1.969 -0.670 -1.262 1.00 0.00 MAINATOM 8 C ALA 2 2.010 1.413 0.000 1.00 0.00 MAINATOM 9 O ALA 2 2.911 1.748 0.767 1.00 0.00 MAINATOM 10 N ALA 3 1.488 2.280 -0.863 1.00 0.00 MAINATOM 11 H ALA 3 0.770 1.998 -1.467 1.00 0.00 MAINATOM 12 CA ALA 3 1.981 3.643 -0.909 1.00 0.00 MAINATOM 13 CB ALA 3 1.147 4.464 -1.880 1.00 0.00 MAINATOM 14 C ALA 3 1.865 4.326 0.444 1.00 0.00 MAINATOM 15 O ALA 3 2.801 4.963 0.924 1.00 0.00 MAINATOM 16 N ALA 4 0.710 4.211 1.093 1.00 0.00 MAINATOM 17 H ALA 4 -0.026 3.700 0.697 1.00 0.00 MAINATOM 18 CA ALA 4 0.541 4.841 2.388 1.00 0.00 MAINATOM 19 CB ALA 4 -0.809 4.462 2.976 1.00 0.00 MAINATOM 20 C ALA 4 1.591 4.371 3.381 1.00 0.00 MAINATOM 21 O ALA 4 2.212 5.167 4.085 1.00 0.00 MAINATOM 22 N ALA 5 1.818 3.063 3.463 1.00 0.00 MAINATOM 23 H ALA 5 1.315 2.443 2.895 1.00 0.00 MAINATOM 24 CA ALA 5 2.809 2.556 4.392 1.00 0.00 MAINATOM 25 CB ALA 5 2.970 1.055 4.209 1.00 0.00 MAINATOM 26 C ALA 5 4.176 3.170 4.142 1.00 0.00 MAINATOM 27 O ALA 5 4.859 3.615 5.064 1.00 0.00 MAINATOM 28 N ALA 6 4.611 3.212 2.886 1.00 0.00 MAINATOM 29 H ALA 6 4.055 2.853 2.163 1.00 0.00 MAINATOM 30 CA ALA 6 5.908 3.786 2.586 1.00 0.00 MAINATOM 31 CB ALA 6 6.121 3.830 1.082 1.00 0.00 MAINATOM 32 C ALA 6 6.012 5.221 3.079 1.00 0.00 MAINATOM 33 O ALA 6 6.992 5.614 3.710 1.00 0.00 MAINATOM 34 N ALA 7 5.002 6.040 2.802 1.00 0.00 MAINATOM 35 H ALA 7 4.228 5.711 2.297 1.00 0.00 MAINATOM 36 CA ALA 7 5.044 7.419 3.245 1.00 0.00 MAINATOM 37 CB ALA 7 3.730 8.110 2.918 1.00 0.00 MAINATOM 38 C ALA 7 5.219 7.518 4.752 1.00 0.00 MAINATOM 39 O ALA 7 6.045 8.278 5.255 1.00 0.00 MAINATOM 40 N ALA 8 4.445 6.748 5.512 1.00 0.00 MAINATOM 41 H ALA 8 3.792 6.148 5.096 1.00 0.00 MAINATOM 42 CA ALA 8 4.566 6.799 6.956 1.00 0.00 MAINATOM 43 CB ALA 8 3.670 5.747 7.589 1.00 0.00 MAINATOM 44 C ALA 8 5.984 6.488 7.409 1.00 0.00 MAINATOM 45 O ALA 8 6.560 7.186 8.241 1.00 0.00 MAINATOM 46 N ALA 9 6.582 5.429 6.871 1.00 0.00 MAINATOM 47 H ALA 9 6.109 4.882 6.209 1.00 0.00 MAINATOM 48 CA ALA 9 7.934 5.082 7.264 1.00 0.00 MAINATOM 49 CB ALA 9 8.436 3.918 6.425 1.00 0.00 MAINATOM 50 C ALA 9 8.898 6.233 7.027 1.00 0.00 MAINATOM 51 O ALA 9 9.705 6.584 7.887 1.00 0.00 MAINATOM 52 N ALA 10 8.839 6.851 5.851 1.00 0.00 MAINATOM 53 H ALA 10 8.190 6.560 5.176 1.00 0.00 MAINATOM 54 CA ALA 10 9.733 7.956 5.567 1.00 0.00 MAINATOM 55 CB ALA 10 9.388 8.570 4.219 1.00 0.00 MAINATOM 56 C ALA 10 9.595 9.067 6.595 1.00 0.00 MAINATOM 57 O ALA 10 10.580 9.587 7.117 1.00 0.00 MAINATOM 58 N ALA 11 8.364 9.460 6.912 1.00 0.00 MAINATOM 59 H ALA 11 7.590 9.036 6.488 1.00 0.00 MAINATOM 60 CA ALA 11 8.169 10.516 7.887 1.00 0.00 MAINATOM 61 CB ALA 11 6.686 10.695 8.168 1.00 0.00 MAINATOM 62 C ALA 11 8.823 10.177 9.217 1.00 0.00 MAINATOM 63 O ALA 11 9.523 10.992 9.815 1.00 0.00 MAINATOM 64 N CBX 12 8.610 8.962 9.714 1.00 0.00 MAINATOM 65 H CBX 12 8.050 8.324 9.225 1.00 0.00 MAINATOM 66 CA CBX 12 9.223 8.571 11.014 1.00 0.00 MAINEND⌨️ 快捷键说明
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