TITLE DPG REMARK THIS IS A SIMULATION BOX CRYST1 50.000 50.000 50.000 90.00 90.00 90.00 P 1 1 MODEL 1 ATOM 1 C1 DPG 1 25.190 29.700 7.050 1.00 0.00 ATOM 2 O2 DPG 1 25.460 29.070 8.280 1.00 0.00 ATOM 3 P3 DPG 1 26.620 29.810 9.060 1.00 0.00 ATOM 4 O4 DPG 1 26.100 31.100 9.530 1.00 0.00 ATOM 5 O5 DPG 1 27.800 29.910 8.190 1.00 0.00 ATOM 6 O6 DPG 1 26.820 28.760 10.260 1.00 0.00 ATOM 7 C7 DPG 1 25.850 28.740 11.320 1.00 0.00 ATOM 8 C8 DPG 1 25.800 27.420 12.130 1.00 0.00 ATOM 9 O9 DPG 1 26.950 26.660 11.690 1.00 0.00 ATOM 10 H10 DPG 1 27.240 27.260 10.900 1.00 0.00 ATOM 11 C11 DPG 1 25.220 27.890 13.500 1.00 0.00 ATOM 12 O12 DPG 1 25.270 27.060 14.670 1.00 0.00 ATOM 13 P13 DPG 1 24.230 27.320 15.860 1.00 0.00 ATOM 14 O14 DPG 1 23.130 26.350 15.720 1.00 0.00 ATOM 15 O15 DPG 1 23.930 28.760 15.930 1.00 0.00 ATOM 16 O16 DPG 1 25.010 26.960 17.210 1.00 0.00 ATOM 17 C17 DPG 1 24.200 27.140 18.390 1.00 0.00 ATOM 18 C18 DPG 1 24.580 26.470 19.730 1.00 0.00 ATOM 19 O19 DPG 1 24.010 25.130 19.830 1.00 0.00 ATOM 20 C20 DPG 1 24.320 24.150 20.840 1.00 0.00 ATOM 21 C21 DPG 1 23.770 24.420 22.240 1.00 0.00 ATOM 22 C22 DPG 1 23.730 23.140 23.080 1.00 0.00 ATOM 23 C23 DPG 1 22.580 22.250 22.590 1.00 0.00 ATOM 24 C24 DPG 1 23.650 23.440 24.590 1.00 0.00 ATOM 25 C25 DPG 1 23.620 22.170 25.440 1.00 0.00 ATOM 26 C26 DPG 1 24.050 22.390 26.900 1.00 0.00 ATOM 27 C27 DPG 1 23.030 21.920 27.940 1.00 0.00 ATOM 28 C28 DPG 1 21.800 22.840 27.950 1.00 0.00 ATOM 29 C29 DPG 1 23.700 21.840 29.320 1.00 0.00 ATOM 30 C30 DPG 1 22.780 21.380 30.460 1.00 0.00 ATOM 31 C31 DPG 1 23.580 21.140 31.750 1.00 0.00 ATOM 32 C32 DPG 1 22.680 21.090 32.990 1.00 0.00 ATOM 33 C33 DPG 1 22.070 22.470 33.260 1.00 0.00 ATOM 34 C34 DPG 1 23.470 20.580 34.200 1.00 0.00 ATOM 35 C35 DPG 1 22.580 20.400 35.440 1.00 0.00 ATOM 36 C36 DPG 1 23.360 19.810 36.620 1.00 0.00 ATOM 37 C37 DPG 1 22.490 19.610 37.860 1.00 0.00 ATOM 38 C38 DPG 1 21.990 20.950 38.420 1.00 0.00 ATOM 39 C39 DPG 1 23.270 18.860 38.940 1.00 0.00 ATOM 40 C40 DPG 1 26.110 26.660 19.910 1.00 0.00 ATOM 41 O41 DPG 1 26.700 26.220 21.160 1.00 0.00 ATOM 42 C42 DPG 1 26.980 27.090 22.260 1.00 0.00 ATOM 43 C43 DPG 1 26.570 26.390 23.570 1.00 0.00 ATOM 44 C44 DPG 1 27.140 26.920 24.890 1.00 0.00 ATOM 45 C45 DPG 1 28.660 26.680 24.940 1.00 0.00 ATOM 46 C46 DPG 1 26.400 26.240 26.050 1.00 0.00 ATOM 47 C47 DPG 1 26.890 26.660 27.450 1.00 0.00 ATOM 48 C48 DPG 1 25.930 26.290 28.590 1.00 0.00 ATOM 49 C49 DPG 1 26.640 25.550 29.730 1.00 0.00 ATOM 50 C50 DPG 1 26.880 24.090 29.330 1.00 0.00 ATOM 51 C51 DPG 1 25.900 25.690 31.070 1.00 0.00 ATOM 52 C52 DPG 1 26.710 25.040 32.200 1.00 0.00 ATOM 53 C53 DPG 1 26.570 25.680 33.590 1.00 0.00 ATOM 54 C54 DPG 1 25.730 24.860 34.560 1.00 0.00 ATOM 55 C55 DPG 1 24.250 25.250 34.470 1.00 0.00 ATOM 56 C56 DPG 1 26.280 25.020 35.980 1.00 0.00 ATOM 57 C57 DPG 1 25.640 24.060 37.000 1.00 0.00 ATOM 58 C58 DPG 1 26.360 24.150 38.340 1.00 0.00 ATOM 59 C59 DPG 1 25.760 23.230 39.410 1.00 0.00 ATOM 60 C60 DPG 1 24.330 23.640 39.780 1.00 0.00 ATOM 61 C61 DPG 1 26.640 23.240 40.660 1.00 0.00 TER ENDMDL 4233