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alaninedipeptide_H.pdb
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alaninedipeptide_H.pdb
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TITLE Protein in water
REMARK THIS IS A SIMULATION BOX
CRYST1 29.925 29.925 29.925 90.00 90.00 90.00 P 1 1
MODEL 1
ATOM 1 CH3 ACE 1 21.910 12.520 5.780 1.00 0.00
ATOM 2 1HH3 ACE 1 21.750 11.440 5.700 1.00 0.00
ATOM 3 2HH3 ACE 1 22.250 12.730 4.770 1.00 0.00
ATOM 4 3HH3 ACE 1 22.680 12.880 6.470 1.00 0.00
ATOM 5 C ACE 1 20.620 13.280 5.900 1.00 0.00
ATOM 6 O ACE 1 19.630 12.620 6.260 1.00 0.00
ATOM 7 N ALA 2 20.540 14.580 5.540 1.00 0.00
ATOM 8 H ALA 2 21.380 14.990 5.150 1.00 0.00
ATOM 9 CA ALA 2 19.310 15.450 5.830 1.00 0.00
ATOM 10 HA ALA 2 18.960 15.350 6.860 1.00 0.00
ATOM 11 CB ALA 2 19.670 16.910 5.570 1.00 0.00
ATOM 12 HB1 ALA 2 20.010 17.110 4.550 1.00 0.00
ATOM 13 HB2 ALA 2 18.780 17.520 5.730 1.00 0.00
ATOM 14 HB3 ALA 2 20.480 17.170 6.250 1.00 0.00
ATOM 15 C ALA 2 18.160 15.060 4.870 1.00 0.00
ATOM 16 O ALA 2 18.370 14.820 3.680 1.00 0.00
ATOM 17 N NME 3 16.910 15.010 5.380 1.00 0.00
ATOM 18 H NME 3 16.660 15.510 6.220 1.00 0.00
ATOM 19 CH3 NME 3 15.750 14.510 4.590 1.00 0.00
ATOM 20 1HH3 NME 3 15.200 15.430 4.420 1.00 0.00
ATOM 21 2HH3 NME 3 16.030 14.180 3.590 1.00 0.00
ATOM 22 3HH3 NME 3 15.180 13.690 5.030 1.00 0.00
TER
ENDMDL