TITLE DPGS 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 O1 DPG 1 38.840 34.850 24.950 1.00 0.00 ATOM 2 O2 DPG 1 39.800 33.000 26.240 1.00 0.00 ATOM 3 O3 DPG 1 39.460 35.170 27.330 1.00 0.00 ATOM 4 S4 DPG 1 38.950 34.220 26.300 1.00 0.00 ATOM 5 O5 DPG 1 37.590 33.780 26.720 1.00 0.00 ATOM 6 C6 DPG 1 37.070 32.860 25.740 1.00 0.00 ATOM 7 C7 DPG 1 37.000 31.360 26.160 1.00 0.00 ATOM 8 O8 DPG 1 36.950 31.080 27.590 1.00 0.00 ATOM 9 H9 DPG 1 37.390 31.860 28.060 1.00 0.00 ATOM 10 C10 DPG 1 35.910 30.640 25.320 1.00 0.00 ATOM 11 O11 DPG 1 34.530 31.070 25.290 1.00 0.00 ATOM 12 P12 DPG 1 33.500 30.250 26.230 1.00 0.00 ATOM 13 O13 DPG 1 34.020 28.870 26.390 1.00 0.00 ATOM 14 O14 DPG 1 33.200 31.040 27.430 1.00 0.00 ATOM 15 O15 DPG 1 32.080 30.060 25.520 1.00 0.00 ATOM 16 C16 DPG 1 31.290 29.080 26.200 1.00 0.00 ATOM 17 C17 DPG 1 29.980 28.380 25.730 1.00 0.00 ATOM 18 O18 DPG 1 29.920 28.160 24.280 1.00 0.00 ATOM 19 C19 DPG 1 29.050 27.300 23.520 1.00 0.00 ATOM 20 C20 DPG 1 27.550 27.210 23.840 1.00 0.00 ATOM 21 C21 DPG 1 26.820 26.350 22.790 1.00 0.00 ATOM 22 C22 DPG 1 26.580 27.200 21.540 1.00 0.00 ATOM 23 C23 DPG 1 25.530 25.730 23.350 1.00 0.00 ATOM 24 C24 DPG 1 24.780 24.860 22.340 1.00 0.00 ATOM 25 C25 DPG 1 23.770 23.900 22.990 1.00 0.00 ATOM 26 C26 DPG 1 22.540 23.620 22.110 1.00 0.00 ATOM 27 C27 DPG 1 21.680 24.900 22.030 1.00 0.00 ATOM 28 C28 DPG 1 21.730 22.430 22.650 1.00 0.00 ATOM 29 C29 DPG 1 20.490 22.110 21.810 1.00 0.00 ATOM 30 C30 DPG 1 19.720 20.890 22.330 1.00 0.00 ATOM 31 C31 DPG 1 18.360 20.700 21.650 1.00 0.00 ATOM 32 C32 DPG 1 17.430 21.880 21.980 1.00 0.00 ATOM 33 C33 DPG 1 17.730 19.360 22.080 1.00 0.00 ATOM 34 C34 DPG 1 16.390 19.070 21.390 1.00 0.00 ATOM 35 C35 DPG 1 15.800 17.740 21.860 1.00 0.00 ATOM 36 C36 DPG 1 14.390 17.480 21.310 1.00 0.00 ATOM 37 C37 DPG 1 13.820 16.200 21.920 1.00 0.00 ATOM 38 C38 DPG 1 14.380 17.370 19.780 1.00 0.00 ATOM 39 C39 DPG 1 30.020 27.140 26.650 1.00 0.00 ATOM 40 O40 DPG 1 28.990 26.130 26.590 1.00 0.00 ATOM 41 C41 DPG 1 27.860 26.170 27.480 1.00 0.00 ATOM 42 C42 DPG 1 26.830 25.140 26.990 1.00 0.00 ATOM 43 C43 DPG 1 25.450 25.190 27.670 1.00 0.00 ATOM 44 C44 DPG 1 25.560 24.810 29.150 1.00 0.00 ATOM 45 C45 DPG 1 24.490 24.270 26.890 1.00 0.00 ATOM 46 C46 DPG 1 23.060 24.230 27.430 1.00 0.00 ATOM 47 C47 DPG 1 22.130 23.420 26.500 1.00 0.00 ATOM 48 C48 DPG 1 20.890 22.870 27.210 1.00 0.00 ATOM 49 C49 DPG 1 21.310 21.810 28.230 1.00 0.00 ATOM 50 C50 DPG 1 19.910 22.260 26.190 1.00 0.00 ATOM 51 C51 DPG 1 18.580 21.820 26.830 1.00 0.00 ATOM 52 C52 DPG 1 17.710 21.030 25.850 1.00 0.00 ATOM 53 C53 DPG 1 16.330 20.640 26.400 1.00 0.00 ATOM 54 C54 DPG 1 16.460 19.740 27.630 1.00 0.00 ATOM 55 C55 DPG 1 15.520 19.940 25.300 1.00 0.00 ATOM 56 C56 DPG 1 14.040 19.720 25.650 1.00 0.00 ATOM 57 C57 DPG 1 13.620 18.270 25.380 1.00 0.00 ATOM 58 C58 DPG 1 12.100 18.060 25.470 1.00 0.00 ATOM 59 C59 DPG 1 11.790 16.560 25.450 1.00 0.00 ATOM 60 C60 DPG 1 11.370 18.760 24.310 1.00 0.00 TER ENDMDL 4167