HEADER NUCLEIC ACID (HNA/RNA) 30-JAN-05 XXXX TITLE CRYSTAL STRUCTURE OF A DECAMERIC HNA-RNA HYBRID COMPND 5'-D(*(6HC)P*(6HC)P*(6HG)P*(6HT)P*(6HA)P*(6HA)P*(6HT) COMPND 2 P*(6HG)P*(6HC)P*(6HC))-3' KEYWDS NUCLEIC ACID (HNA/RNA), DNA, RNA, HNA, HEXITOL NUCLEIC ACID, KEYWDS 2 HYBRID, DUPLEX, MODIFIED NUCLEIC ACID, ANTISENSE, BACKBONE KEYWDS 3 MODIFICATION EXPDTA X-RAY DIFFRACTION AUTHOR T.MAIER, I.PRZYLAS, N.STRAETER, P.HERDEWIJN, W.SAENGER JRNL AUTH T.MAIER, I.PRZYLAS, N.STRATER, P.HERDEWIJN, JRNL AUTH 2 W.SAENGER JRNL TITL REINFORCED HNA BACKBONE HYDRATION IN THE CRYSTAL JRNL TITL 2 STRUCTURE OF A DECAMERIC HNA/RNA HYBRID JRNL REF J.AM.CHEM.SOC. V. 127 2937 2005 JRNL REFN ASTM JACSAT US ISSN 0002-7863 JRNL PMID 15740130 JRNL DOI 10.1021/JA045843V REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH H.DEWINTER, E.LESCRINIER, A.VANAERSCHOT, REMARK 1 AUTH 2 P.HERDEWIJN REMARK 1 TITL MOLECULAR DYNAMICS SIMULATION TO INVERSTIGATE REMARK 1 TITL 2 DIFFERENCES IN MINOR GROOVE HYDRATION OF HNA-RNA REMARK 1 TITL 3 HYBRIDS AS COMPARED TO HNA-DNA COMPLEXES REMARK 1 REF J.AM.CHEM.SOC. V. 120 5381 1998 REMARK 1 REFN ASTM JACSAT US ISSN 0002-7863 REMARK 1 REFERENCE 2 REMARK 1 AUTH E.LESCRINIER, R.ESNOUF, J.SCHRAML, R.BUSSON, REMARK 1 AUTH 2 H.A.HEUS, C.W.HILBERS, P.HERDEWIJN REMARK 1 TITL SOLUTION STRUCTURE OF A HNA-RNA HYBRID REMARK 1 REF CHEM.BIOL. V. 7 719 2000 REMARK 1 REFN ASTM CBOLE2 UK ISSN 1074-5521 JRNL PMID 10980452 JRNL DOI 10.1016/S1074-5521(00)00017-X REMARK 1 REFERENCE 3 REMARK 1 AUTH R.DECLERCQ, A.VANAERSCHOT, R.J.READ, P.HERDEWIJN, REMARK 1 AUTH 2 L.VANMEERVELT REMARK 1 TITL CRYSTAL STRUCTURE OF DOUBLE HELICAL HEXITOL REMARK 1 TITL 2 NUCLEIC ACIDS REMARK 1 REF J.AM.CHEM.SOC. V. 124 928 2002 REMARK 1 REFN ASTM JACSAT US ISSN 0002-7863 JRNL PMID 11829600 JRNL DOI 10.1021/JA016570W REMARK 1 REFERENCE 4 REMARK 1 AUTH R.DECLERQ, P.HERDEWIJN, L.VANMEERVELT REMARK 1 TITL 1,5-ANHYDRO-2,3-DIDEOXY-2-(GUANIN-9-YL)-D-ARABINO- REMARK 1 TITL 2 HEXITOL REMARK 1 REF ACTA CRYSTALLOGR.,SECT.C V. 52 1213 1996 REMARK 1 REFN ASTM ACSCEE DK ISSN 0108-2701 SEQRES 1 A 10 6HC 6HC 6HG 6HT 6HA 6HA 6HT 6HG 6HC 6HC SEQRES 1 B 10 6HC 6HC 6HG 6HT 6HA 6HA 6HT 6HG 6HC 6HC SEQRES 1 C 10 6HC 6HC 6HG 6HT 6HA 6HA 6HT 6HG 6HC 6HC SEQRES 1 D 10 6HC 6HC 6HG 6HT 6HA 6HA 6HT 6HG 6HC 6HC SEQRES 1 E 10 G G C A U U A C G G SEQRES 1 F 10 G G C A U U A C G G SEQRES 1 G 10 G G C A U U A C G G SEQRES 1 H 10 G G C A U U A C G G HETNAM 6HC 1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(CYTOSIN-1-YL)-6'-O- HETNAM 2 6HC PHOSPHORYL-D-ARABINO-HEXITOL HETNAM 6HG 1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(GUANIN-9-YL)-6'-O- HETNAM 2 6HG PHOSPHORYL-D-ARABINO-HEXITOL HETNAM 6HT 1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(THYMIN-1-YL)-6'-O- HETNAM 2 6HT PHOSPHORYL-D-ARABINO-HEXITOL HETNAM 6HA 1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(ADENIN-9-YL)-6'-O- HETNAM 2 6HA PHOSPHORYL-D-ARABINO-HEXITOL HETNAM SO4 SULFATE ION FORMUL 1 6HC 16(C10 H16 N3 O7 P) FORMUL 1 6HG 8(C11 H16 N5 O7 P) FORMUL 1 6HT 8(C11 H17 N2 O8 P) FORMUL 1 6HA 8(C11 H16 N5 O6 P) FORMUL 9 SO4 5(O4 S 2-) FORMUL 14 HOH *163(H2 O) LINK O3' 6HC A 1 P 6HC A 2 1555 1555 1.62 LINK O3' 6HC A 2 P 6HG A 3 1555 1555 1.61 LINK O3' 6HG A 3 P 6HT A 4 1555 1555 1.62 LINK O3' 6HT A 4 P 6HA A 5 1555 1555 1.60 LINK O3' 6HA A 5 P 6HA A 6 1555 1555 1.60 LINK O3' 6HA A 6 P 6HT A 7 1555 1555 1.60 LINK O3' 6HT A 7 P 6HG A 8 1555 1555 1.61 LINK O3' 6HG A 8 P 6HC A 9 1555 1555 1.61 LINK O3' 6HC A 9 P 6HC A 10 1555 1555 1.61 LINK O3' 6HC B 1 P 6HC B 2 1555 1555 1.60 LINK O3' 6HC B 2 P 6HG B 3 1555 1555 1.61 LINK O3' 6HG B 3 P 6HT B 4 1555 1555 1.61 LINK O3' 6HT B 4 P 6HA B 5 1555 1555 1.61 LINK O3' 6HA B 5 P 6HA B 6 1555 1555 1.61 LINK O3' 6HA B 6 P 6HT B 7 1555 1555 1.61 LINK O3' 6HT B 7 P 6HG B 8 1555 1555 1.62 LINK O3' 6HG B 8 P 6HC B 9 1555 1555 1.61 LINK O3' 6HC B 9 P 6HC B 10 1555 1555 1.63 LINK O3' 6HC C 1 P 6HC C 2 1555 1555 1.62 LINK O3' 6HC C 2 P 6HG C 3 1555 1555 1.62 LINK O3' 6HG C 3 P 6HT C 4 1555 1555 1.62 LINK O3' 6HT C 4 P 6HA C 5 1555 1555 1.62 LINK O3' 6HA C 5 P 6HA C 6 1555 1555 1.61 LINK O3' 6HA C 6 P 6HT C 7 1555 1555 1.60 LINK O3' 6HT C 7 P 6HG C 8 1555 1555 1.61 LINK O3' 6HG C 8 P 6HC C 9 1555 1555 1.62 LINK O3' 6HC C 9 P 6HC C 10 1555 1555 1.61 LINK O3' 6HC D 1 P 6HC D 2 1555 1555 1.60 LINK O3' 6HC D 2 P 6HG D 3 1555 1555 1.63 LINK O3' 6HG D 3 P 6HT D 4 1555 1555 1.62 LINK O3' 6HT D 4 P 6HA D 5 1555 1555 1.61 LINK O3' 6HA D 5 P 6HA D 6 1555 1555 1.62 LINK O3' 6HA D 6 P 6HT D 7 1555 1555 1.60 LINK O3' 6HT D 7 P 6HG D 8 1555 1555 1.60 LINK O3' 6HG D 8 P 6HC D 9 1555 1555 1.61 LINK O3' 6HC D 9 P 6HC D 10 1555 1555 1.61 SITE 1 AC1 3 6HC B 1 HOH B2013 HOH B2016 SITE 1 AC2 1 6HC C 1 SITE 1 AC3 5 C E 3 A E 4 HOH E2024 HOH E2025 SITE 2 AC3 5 HOH E2026 SITE 1 AC4 4 HOH C2012 C G 3 A G 4 HOH G2027 SITE 1 AC5 4 HOH C2018 G G 1 G G 2 HOH G2005 CRYST1 113.910 113.910 55.370 90.00 90.00 90.00 P 41 21 2 32 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.008779 0.000000 0.000000 0.00000 SCALE2 0.000000 0.008779 0.000000 0.00000 SCALE3 0.000000 0.000000 0.018060 0.00000 MODEL 1 HETATM 1 O5' 6HC B 1 24.556 21.463 8.410 1.00 37.91 O HETATM 2 C5' 6HC B 1 24.299 20.246 9.088 1.00 36.79 C HETATM 3 C4' 6HC B 1 25.475 19.820 9.923 1.00 36.78 C HETATM 4 O4' 6HC B 1 26.658 19.775 9.123 1.00 36.14 O HETATM 5 C3' 6HC B 1 25.719 20.701 11.137 1.00 36.97 C HETATM 6 O3' 6HC B 1 24.568 20.600 11.981 1.00 40.00 O HETATM 7 C2' 6HC B 1 26.877 20.145 11.928 1.00 35.37 C HETATM 8 C1' 6HC B 1 28.121 19.876 11.116 1.00 33.43 C HETATM 9 C6' 6HC B 1 27.762 19.165 9.827 1.00 35.42 C HETATM 10 N1 6HC B 1 28.897 21.124 10.882 1.00 34.30 N HETATM 11 C2 6HC B 1 29.735 21.571 11.902 1.00 33.60 C HETATM 12 O2 6HC B 1 29.728 20.976 12.979 1.00 35.80 O HETATM 13 N3 6HC B 1 30.501 22.654 11.700 1.00 32.92 N HETATM 14 C4 6HC B 1 30.416 23.323 10.550 1.00 32.78 C HETATM 15 N4 6HC B 1 31.188 24.400 10.401 1.00 32.67 N HETATM 16 C5 6HC B 1 29.541 22.918 9.503 1.00 30.50 C HETATM 17 C6 6HC B 1 28.815 21.823 9.703 1.00 32.33 C HETATM 18 P 6HC B 2 23.759 21.917 12.388 1.00 43.38 P HETATM 19 OP1 6HC B 2 22.319 21.567 12.389 1.00 43.68 O HETATM 20 OP2 6HC B 2 24.244 23.076 11.581 1.00 43.11 O HETATM 21 O5' 6HC B 2 24.176 22.151 13.892 1.00 41.92 O HETATM 22 C5' 6HC B 2 24.186 21.073 14.807 1.00 40.03 C HETATM 23 C4' 6HC B 2 25.245 21.316 15.839 1.00 39.64 C HETATM 24 O4' 6HC B 2 26.500 20.988 15.238 1.00 38.32 O HETATM 25 C3' 6HC B 2 25.243 22.761 16.326 1.00 38.72 C HETATM 26 O3' 6HC B 2 24.077 22.919 17.117 1.00 39.57 O HETATM 27 C2' 6HC B 2 26.415 22.995 17.246 1.00 38.65 C HETATM 28 C1' 6HC B 2 27.745 22.533 16.661 1.00 37.09 C HETATM 29 C6' 6HC B 2 27.595 21.114 16.166 1.00 37.98 C HETATM 30 N1 6HC B 2 28.230 23.443 15.580 1.00 37.38 N HETATM 31 C2 6HC B 2 29.264 24.329 15.877 1.00 37.49 C HETATM 32 O2 6HC B 2 29.725 24.352 17.028 1.00 38.91 O HETATM 33 N3 6HC B 2 29.739 25.131 14.905 1.00 37.41 N HETATM 34 C4 6HC B 2 29.224 25.068 13.676 1.00 38.08 C HETATM 35 N4 6HC B 2 29.764 25.841 12.734 1.00 38.92 N HETATM 36 C5 6HC B 2 28.150 24.197 13.352 1.00 36.19 C HETATM 37 C6 6HC B 2 27.690 23.409 14.320 1.00 36.54 C HETATM 38 P 6HG B 3 23.393 24.363 17.286 1.00 40.49 P HETATM 39 OP1 6HG B 3 22.222 24.142 18.188 1.00 41.20 O HETATM 40 OP2 6HG B 3 23.181 24.992 15.952 1.00 40.49 O HETATM 41 O5' 6HG B 3 24.473 25.212 18.082 1.00 39.68 O HETATM 42 C5' 6HG B 3 24.532 25.168 19.494 1.00 40.55 C HETATM 43 C4' 6HG B 3 25.721 25.950 19.970 1.00 41.09 C HETATM 44 O4' 6HG B 3 26.901 25.482 19.289 1.00 40.15 O HETATM 45 C3' 6HG B 3 25.544 27.451 19.767 1.00 41.18 C HETATM 46 O3' 6HG B 3 24.482 27.859 20.634 1.00 42.69 O HETATM 47 C2' 6HG B 3 26.810 28.172 20.183 1.00 39.96 C HETATM 48 C1' 6HG B 3 28.076 27.600 19.544 1.00 39.97 C HETATM 49 C6' 6HG B 3 28.097 26.110 19.794 1.00 39.60 C HETATM 50 N9 6HG B 3 28.113 27.884 18.089 1.00 39.19 N HETATM 51 C8 6HG B 3 27.452 27.186 17.110 1.00 39.55 C HETATM 52 N7 6HG B 3 27.695 27.634 15.914 1.00 40.33 N HETATM 53 C5 6HG B 3 28.554 28.702 16.114 1.00 38.92 C HETATM 54 C6 6HG B 3 29.146 29.569 15.182 1.00 39.40 C HETATM 55 O6 6HG B 3 29.008 29.583 13.948 1.00 40.85 O HETATM 56 N1 6HG B 3 29.973 30.491 15.799 1.00 37.86 N HETATM 57 C2 6HG B 3 30.195 30.565 17.139 1.00 37.30 C HETATM 58 N2 6HG B 3 31.062 31.481 17.530 1.00 37.30 N HETATM 59 N3 6HG B 3 29.621 29.782 18.027 1.00 38.32 N HETATM 60 C4 6HG B 3 28.822 28.872 17.447 1.00 38.12 C HETATM 61 P 6HT B 4 23.443 29.005 20.183 1.00 43.88 P HETATM 62 OP1 6HT B 4 22.326 28.891 21.150 1.00 43.37 O HETATM 63 OP2 6HT B 4 23.159 28.930 18.719 1.00 44.54 O HETATM 64 O5' 6HT B 4 24.231 30.361 20.460 1.00 42.54 O HETATM 65 C5' 6HT B 4 24.721 30.663 21.759 1.00 42.37 C HETATM 66 C4' 6HT B 4 25.789 31.716 21.674 1.00 42.39 C HETATM 67 O4' 6HT B 4 26.899 31.143 20.982 1.00 43.73 O HETATM 68 C3' 6HT B 4 25.360 33.015 20.990 1.00 42.41 C HETATM 69 O3' 6HT B 4 24.387 33.659 21.820 1.00 42.04 O HETATM 70 C2' 6HT B 4 26.554 33.945 20.860 1.00 42.99 C HETATM 71 C1' 6HT B 4 27.811 33.289 20.266 1.00 44.08 C HETATM 72 C6' 6HT B 4 28.068 32.000 21.004 1.00 44.08 C HETATM 73 N1 6HT B 4 27.663 33.051 18.787 1.00 44.98 N HETATM 74 C2 6HT B 4 28.412 33.827 17.928 1.00 46.38 C HETATM 75 O2 6HT B 4 29.227 34.653 18.312 1.00 48.92 O HETATM 76 N3 6HT B 4 28.184 33.586 16.591 1.00 46.83 N HETATM 77 C4 6HT B 4 27.322 32.644 16.047 1.00 46.67 C HETATM 78 O4 6HT B 4 27.224 32.537 14.831 1.00 48.41 O HETATM 79 C5 6HT B 4 26.593 31.843 17.006 1.00 45.34 C HETATM 80 C5M 6HT B 4 25.663 30.781 16.515 1.00 43.36 C HETATM 81 C6 6HT B 4 26.792 32.087 18.304 1.00 44.63 C HETATM 82 P 6HA B 5 23.257 34.604 21.170 1.00 42.12 P HETATM 83 OP1 6HA B 5 22.464 35.126 22.313 1.00 42.30 O HETATM 84 OP2 6HA B 5 22.555 33.883 20.081 1.00 40.42 O HETATM 85 O5' 6HA B 5 24.103 35.805 20.552 1.00 41.91 O HETATM 86 C5' 6HA B 5 24.405 36.981 21.308 1.00 41.67 C HETATM 87 C4' 6HA B 5 25.271 37.907 20.495 1.00 41.86 C HETATM 88 O4' 6HA B 5 26.396 37.124 20.090 1.00 41.15 O HETATM 89 C3' 6HA B 5 24.560 38.510 19.273 1.00 43.64 C HETATM 90 O3' 6HA B 5 23.613 39.483 19.723 1.00 44.10 O HETATM 91 C2' 6HA B 5 25.552 39.231 18.382 1.00 42.10 C HETATM 92 C1' 6HA B 5 26.755 38.372 18.005 1.00 43.77 C HETATM 93 C6' 6HA B 5 27.359 37.852 19.296 1.00 43.62 C HETATM 94 N9 6HA B 5 26.386 37.262 17.080 1.00 43.36 N HETATM 95 C8 6HA B 5 25.672 36.113 17.368 1.00 43.13 C HETATM 96 N7 6HA B 5 25.331 35.417 16.307 1.00 43.24 N HETATM 97 C5 6HA B 5 25.853 36.145 15.249 1.00 42.95 C HETATM 98 C6 6HA B 5 25.827 35.937 13.857 1.00 42.57 C HETATM 99 N6 6HA B 5 25.236 34.903 13.269 1.00 42.10 N HETATM 100 N1 6HA B 5 26.437 36.845 13.081 1.00 44.47 N HETATM 101 C2 6HA B 5 27.035 37.896 13.665 1.00 44.40 C HETATM 102 N3 6HA B 5 27.130 38.205 14.953 1.00 44.27 N HETATM 103 C4 6HA B 5 26.508 37.281 15.706 1.00 43.46 C HETATM 104 P 6HA B 6 22.206 39.655 18.971 1.00 47.67 P HETATM 105 OP1 6HA B 6 21.470 40.660 19.775 1.00 49.52 O HETATM 106 OP2 6HA B 6 21.558 38.344 18.692 1.00 46.05 O HETATM 107 O5' 6HA B 6 22.590 40.397 17.619 1.00 46.52 O HETATM 108 C5' 6HA B 6 23.084 41.741 17.651 1.00 46.79 C HETATM 109 C4' 6HA B 6 23.498 42.190 16.274 1.00 47.51 C HETATM 110 O4' 6HA B 6 24.687 41.461 15.913 1.00 46.57 O HETATM 111 C3' 6HA B 6 22.389 42.016 15.234 1.00 47.72 C HETATM 112 O3' 6HA B 6 21.388 42.989 15.497 1.00 47.26 O HETATM 113 C2' 6HA B 6 22.915 42.305 13.851 1.00 48.56 C HETATM 114 C1' 6HA B 6 24.192 41.554 13.510 1.00 50.38 C HETATM 115 C6' 6HA B 6 25.202 41.794 14.609 1.00 48.94 C HETATM 116 N9 6HA B 6 23.936 40.107 13.292 1.00 54.08 N HETATM 117 C8 6HA B 6 23.715 39.122 14.230 1.00 54.52 C HETATM 118 N7 6HA B 6 23.451 37.949 13.711 1.00 55.82 N HETATM 119 C5 6HA B 6 23.499 38.169 12.342 1.00 55.91 C HETATM 120 C6 6HA B 6 23.296 37.319 11.243 1.00 56.69 C HETATM 121 N6 6HA B 6 22.989 36.030 11.355 1.00 56.77 N HETATM 122 N1 6HA B 6 23.417 37.847 10.008 1.00 57.76 N HETATM 123 C2 6HA B 6 23.723 39.144 9.895 1.00 58.13 C HETATM 124 N3 6HA B 6 23.933 40.047 10.849 1.00 56.83 N HETATM 125 C4 6HA B 6 23.801 39.490 12.067 1.00 55.90 C HETATM 126 P 6HT B 7 19.845 42.666 15.198 1.00 50.41 P HETATM 127 OP1 6HT B 7 19.002 43.619 15.974 1.00 51.39 O HETATM 128 OP2 6HT B 7 19.603 41.218 15.340 1.00 51.34 O HETATM 129 O5' 6HT B 7 19.654 43.049 13.663 1.00 51.40 O HETATM 130 C5' 6HT B 7 20.020 44.337 13.155 1.00 51.16 C HETATM 131 C4' 6HT B 7 20.198 44.255 11.665 1.00 52.33 C HETATM 132 O4' 6HT B 7 21.335 43.399 11.456 1.00 52.50 O HETATM 133 C3' 6HT B 7 18.966 43.681 10.965 1.00 53.29 C HETATM 134 O3' 6HT B 7 17.902 44.635 11.018 1.00 55.07 O HETATM 135 C2' 6HT B 7 19.275 43.408 9.510 1.00 53.65 C HETATM 136 C1' 6HT B 7 20.534 42.568 9.286 1.00 53.95 C HETATM 137 C6' 6HT B 7 21.671 43.187 10.065 1.00 53.96 C HETATM 138 N1 6HT B 7 20.339 41.105 9.622 1.00 55.62 N HETATM 139 C2 6HT B 7 20.153 40.205 8.577 1.00 56.13 C HETATM 140 O2 6HT B 7 20.137 40.525 7.399 1.00 55.95 O HETATM 141 N3 6HT B 7 20.001 38.901 8.967 1.00 55.57 N HETATM 142 C4 6HT B 7 20.039 38.398 10.245 1.00 55.44 C HETATM 143 O4 6HT B 7 19.919 37.192 10.423 1.00 55.88 O HETATM 144 C5 6HT B 7 20.233 39.378 11.289 1.00 55.80 C HETATM 145 C5M 6HT B 7 20.293 38.922 12.715 1.00 55.83 C HETATM 146 C6 6HT B 7 20.359 40.665 10.932 1.00 56.08 C HETATM 147 P 6HG B 8 16.361 44.145 10.940 1.00 58.49 P HETATM 148 OP1 6HG B 8 15.533 45.359 11.205 1.00 59.66 O HETATM 149 OP2 6HG B 8 16.120 42.929 11.750 1.00 56.89 O HETATM 150 O5' 6HG B 8 16.156 43.728 9.414 1.00 58.77 O HETATM 151 C5' 6HG B 8 16.232 44.703 8.353 1.00 58.78 C HETATM 152 C4' 6HG B 8 16.140 44.024 7.012 1.00 56.75 C HETATM 153 O4' 6HG B 8 17.360 43.295 6.836 1.00 56.34 O HETATM 154 C3' 6HG B 8 14.938 43.089 6.897 1.00 56.10 C HETATM 155 O3' 6HG B 8 13.751 43.879 6.798 1.00 56.75 O HETATM 156 C2' 6HG B 8 15.030 42.259 5.635 1.00 55.22 C HETATM 157 C1' 6HG B 8 16.371 41.574 5.428 1.00 54.93 C HETATM 158 C6' 6HG B 8 17.447 42.613 5.569 1.00 55.40 C HETATM 159 N9 6HG B 8 16.561 40.450 6.380 1.00 55.79 N HETATM 160 C8 6HG B 8 16.945 40.529 7.700 1.00 56.11 C HETATM 161 N7 6HG B 8 17.010 39.367 8.284 1.00 55.52 N HETATM 162 C5 6HG B 8 16.651 38.464 7.297 1.00 55.66 C HETATM 163 C6 6HG B 8 16.544 37.057 7.345 1.00 56.30 C HETATM 164 O6 6HG B 8 16.745 36.310 8.300 1.00 57.39 O HETATM 165 N1 6HG B 8 16.164 36.527 6.119 1.00 55.20 N HETATM 166 C2 6HG B 8 15.929 37.264 4.990 1.00 55.21 C HETATM 167 N2 6HG B 8 15.600 36.573 3.889 1.00 53.53 N HETATM 168 N3 6HG B 8 16.017 38.583 4.935 1.00 54.54 N HETATM 169 C4 6HG B 8 16.379 39.113 6.115 1.00 54.86 C HETATM 170 P 6HC B 9 12.458 43.506 7.681 1.00 59.69 P HETATM 171 OP1 6HC B 9 11.559 44.708 7.680 1.00 60.23 O HETATM 172 OP2 6HC B 9 12.911 42.925 8.977 1.00 60.66 O HETATM 173 O5' 6HC B 9 11.724 42.364 6.861 1.00 57.44 O HETATM 174 C5' 6HC B 9 11.444 42.550 5.475 1.00 56.28 C HETATM 175 C4' 6HC B 9 11.153 41.224 4.830 1.00 55.34 C HETATM 176 O4' 6HC B 9 12.409 40.580 4.540 1.00 54.20 O HETATM 177 C3' 6HC B 9 10.273 40.312 5.680 1.00 54.80 C HETATM 178 O3' 6HC B 9 9.025 40.994 5.887 1.00 55.65 O HETATM 179 C2' 6HC B 9 10.119 38.985 4.965 1.00 53.70 C HETATM 180 C1' 6HC B 9 11.448 38.321 4.630 1.00 52.00 C HETATM 181 C6' 6HC B 9 12.263 39.316 3.845 1.00 52.90 C HETATM 182 N1 6HC B 9 12.153 37.882 5.880 1.00 52.19 N HETATM 183 C2 6HC B 9 12.058 36.541 6.274 1.00 52.18 C HETATM 184 O2 6HC B 9 11.475 35.732 5.538 1.00 54.01 O HETATM 185 N3 6HC B 9 12.609 36.161 7.442 1.00 52.09 N HETATM 186 C4 6HC B 9 13.254 37.047 8.199 1.00 53.10 C HETATM 187 N4 6HC B 9 13.748 36.632 9.365 1.00 53.18 N HETATM 188 C5 6HC B 9 13.415 38.403 7.803 1.00 53.29 C HETATM 189 C6 6HC B 9 12.856 38.774 6.650 1.00 53.50 C HETATM 190 P 6HC B 10 7.722 40.225 6.479 1.00 60.54 P HETATM 191 OP1 6HC B 10 6.613 40.645 5.568 1.00 60.64 O HETATM 192 OP2 6HC B 10 7.589 40.438 7.958 1.00 61.38 O HETATM 193 O5' 6HC B 10 7.930 38.665 6.256 1.00 59.50 O HETATM 194 C5' 6HC B 10 7.113 37.950 5.331 1.00 61.12 C HETATM 195 C4' 6HC B 10 7.030 36.507 5.735 1.00 61.69 C HETATM 196 O4' 6HC B 10 8.331 35.901 5.594 1.00 61.11 O HETATM 197 C3' 6HC B 10 6.541 36.334 7.167 1.00 61.29 C HETATM 198 O3' 6HC B 10 5.358 37.094 7.377 1.00 61.59 O HETATM 199 C2' 6HC B 10 6.489 34.858 7.491 1.00 61.18 C HETATM 200 C1' 6HC B 10 7.848 34.187 7.291 1.00 60.59 C HETATM 201 C6' 6HC B 10 8.311 34.479 5.880 1.00 61.14 C HETATM 202 N1 6HC B 10 8.819 34.706 8.307 1.00 59.69 N HETATM 203 C2 6HC B 10 9.260 33.850 9.329 1.00 59.91 C HETATM 204 O2 6HC B 10 8.885 32.656 9.326 1.00 59.70 O HETATM 205 N3 6HC B 10 10.087 34.350 10.292 1.00 58.82 N HETATM 206 C4 6HC B 10 10.476 35.633 10.246 1.00 58.88 C HETATM 207 N4 6HC B 10 11.256 36.101 11.222 1.00 57.86 N HETATM 208 C5 6HC B 10 10.076 36.500 9.199 1.00 59.61 C HETATM 209 C6 6HC B 10 9.260 36.004 8.262 1.00 59.81 C TER 210 6HC B 10 ATOM 211 O5' G F 1 15.383 28.265 15.940 1.00 73.33 O ATOM 212 C5' G F 1 15.039 26.881 15.818 1.00 72.44 C ATOM 213 C4' G F 1 14.003 26.589 14.748 1.00 71.53 C ATOM 214 O4' G F 1 12.766 27.295 15.055 1.00 71.12 O ATOM 215 C3' G F 1 14.343 27.040 13.332 1.00 70.53 C ATOM 216 O3' G F 1 15.231 26.119 12.685 1.00 68.46 O ATOM 217 C2' G F 1 12.952 27.127 12.700 1.00 70.60 C ATOM 218 O2' G F 1 12.377 25.885 12.336 1.00 71.21 O ATOM 219 C1' G F 1 12.151 27.733 13.853 1.00 69.89 C ATOM 220 N9 G F 1 12.203 29.213 13.826 1.00 69.46 N ATOM 221 C8 G F 1 12.871 30.048 14.697 1.00 68.36 C ATOM 222 N7 G F 1 12.745 31.313 14.391 1.00 68.25 N ATOM 223 C5 G F 1 11.944 31.315 13.252 1.00 67.67 C ATOM 224 C6 G F 1 11.481 32.393 12.455 1.00 66.80 C ATOM 225 O6 G F 1 11.699 33.605 12.604 1.00 64.49 O ATOM 226 N1 G F 1 10.696 31.942 11.389 1.00 66.15 N ATOM 227 C2 G F 1 10.400 30.619 11.124 1.00 67.61 C ATOM 228 N2 G F 1 9.621 30.360 10.048 1.00 67.50 N ATOM 229 N3 G F 1 10.834 29.609 11.860 1.00 67.97 N ATOM 230 C4 G F 1 11.594 30.026 12.897 1.00 68.34 C ATOM 231 P G F 2 16.398 26.671 11.697 1.00 66.53 P ATOM 232 OP1 G F 2 17.286 25.507 11.406 1.00 65.72 O ATOM 233 OP2 G F 2 16.993 27.934 12.259 1.00 62.65 O ATOM 234 O5' G F 2 15.613 26.958 10.335 1.00 61.73 O ATOM 235 C5' G F 2 14.801 25.939 9.735 1.00 55.85 C ATOM 236 C4' G F 2 13.912 26.526 8.648 1.00 51.90 C ATOM 237 O4' G F 2 12.933 27.444 9.208 1.00 49.78 O ATOM 238 C3' G F 2 14.614 27.379 7.612 1.00 49.22 C ATOM 239 O3' G F 2 15.279 26.561 6.662 1.00 46.17 O ATOM 240 C2' G F 2 13.447 28.152 7.023 1.00 48.53 C ATOM 241 O2' G F 2 12.661 27.312 6.195 1.00 49.64 O ATOM 242 C1' G F 2 12.666 28.493 8.290 1.00 47.89 C ATOM 243 N9 G F 2 13.071 29.774 8.924 1.00 48.13 N ATOM 244 C8 G F 2 13.803 29.909 10.082 1.00 48.69 C ATOM 245 N7 G F 2 14.064 31.152 10.386 1.00 47.80 N ATOM 246 C5 G F 2 13.457 31.891 9.381 1.00 47.05 C ATOM 247 C6 G F 2 13.435 33.299 9.173 1.00 47.76 C ATOM 248 O6 G F 2 13.933 34.187 9.876 1.00 47.21 O ATOM 249 N1 G F 2 12.750 33.639 8.008 1.00 47.62 N ATOM 250 C2 G F 2 12.149 32.746 7.156 1.00 47.94 C ATOM 251 N2 G F 2 11.557 33.295 6.074 1.00 45.31 N ATOM 252 N3 G F 2 12.141 31.412 7.351 1.00 47.00 N ATOM 253 C4 G F 2 12.822 31.063 8.474 1.00 47.00 C ATOM 254 P C F 3 16.653 27.071 6.022 1.00 43.31 P ATOM 255 OP1 C F 3 17.180 25.927 5.216 1.00 39.32 O ATOM 256 OP2 C F 3 17.485 27.697 7.108 1.00 39.79 O ATOM 257 O5' C F 3 16.192 28.235 5.029 1.00 41.23 O ATOM 258 C5' C F 3 15.569 27.924 3.783 1.00 39.57 C ATOM 259 C4' C F 3 15.392 29.178 2.957 1.00 38.73 C ATOM 260 O4' C F 3 14.444 30.062 3.616 1.00 38.15 O ATOM 261 C3' C F 3 16.629 30.042 2.808 1.00 36.94 C ATOM 262 O3' C F 3 17.454 29.604 1.749 1.00 34.11 O ATOM 263 C2' C F 3 16.022 31.380 2.471 1.00 37.10 C ATOM 264 O2' C F 3 15.606 31.357 1.131 1.00 38.22 O ATOM 265 C1' C F 3 14.837 31.408 3.433 1.00 35.91 C ATOM 266 N1 C F 3 15.222 31.944 4.754 1.00 35.40 N ATOM 267 C2 C F 3 15.298 33.309 4.922 1.00 37.43 C ATOM 268 O2 C F 3 15.031 34.036 3.966 1.00 39.09 O ATOM 269 N3 C F 3 15.671 33.815 6.125 1.00 37.34 N ATOM 270 C4 C F 3 15.975 32.987 7.130 1.00 38.56 C ATOM 271 N4 C F 3 16.371 33.518 8.289 1.00 38.67 N ATOM 272 C5 C F 3 15.894 31.582 6.989 1.00 36.76 C ATOM 273 C6 C F 3 15.515 31.106 5.795 1.00 37.58 C ATOM 274 P A F 4 19.045 29.787 1.868 1.00 34.12 P ATOM 275 OP1 A F 4 19.587 29.111 0.664 1.00 30.05 O ATOM 276 OP2 A F 4 19.492 29.366 3.223 1.00 32.47 O ATOM 277 O5' A F 4 19.246 31.355 1.717 1.00 32.69 O ATOM 278 C5' A F 4 18.959 31.982 0.469 1.00 33.65 C ATOM 279 C4' A F 4 19.137 33.466 0.572 1.00 34.64 C ATOM 280 O4' A F 4 18.182 33.971 1.531 1.00 33.81 O ATOM 281 C3' A F 4 20.470 33.961 1.107 1.00 35.22 C ATOM 282 O3' A F 4 21.488 34.030 0.126 1.00 35.98 O ATOM 283 C2' A F 4 20.099 35.345 1.576 1.00 35.27 C ATOM 284 O2' A F 4 19.913 36.197 0.476 1.00 40.73 O ATOM 285 C1' A F 4 18.750 35.066 2.220 1.00 35.81 C ATOM 286 N9 A F 4 18.906 34.695 3.635 1.00 36.56 N ATOM 287 C8 A F 4 18.845 33.456 4.223 1.00 36.18 C ATOM 288 N7 A F 4 19.054 33.478 5.517 1.00 37.16 N ATOM 289 C5 A F 4 19.258 34.819 5.797 1.00 38.02 C ATOM 290 C6 A F 4 19.533 35.502 6.987 1.00 39.62 C ATOM 291 N6 A F 4 19.669 34.908 8.169 1.00 39.45 N ATOM 292 N1 A F 4 19.673 36.845 6.917 1.00 41.44 N ATOM 293 C2 A F 4 19.550 37.445 5.720 1.00 41.40 C ATOM 294 N3 A F 4 19.298 36.908 4.537 1.00 39.03 N ATOM 295 C4 A F 4 19.163 35.578 4.646 1.00 37.51 C ATOM 296 P U F 5 23.001 33.705 0.549 1.00 39.81 P ATOM 297 OP1 U F 5 23.769 33.520 -0.696 1.00 38.09 O ATOM 298 OP2 U F 5 22.978 32.609 1.543 1.00 39.45 O ATOM 299 O5' U F 5 23.467 35.008 1.344 1.00 38.24 O ATOM 300 C5' U F 5 23.395 36.292 0.743 1.00 43.75 C ATOM 301 C4' U F 5 23.730 37.391 1.747 1.00 46.14 C ATOM 302 O4' U F 5 22.682 37.464 2.745 1.00 46.92 O ATOM 303 C3' U F 5 24.995 37.289 2.606 1.00 46.64 C ATOM 304 O3' U F 5 26.197 37.679 1.953 1.00 46.04 O ATOM 305 C2' U F 5 24.697 38.305 3.689 1.00 46.75 C ATOM 306 O2' U F 5 24.910 39.618 3.214 1.00 47.69 O ATOM 307 C1' U F 5 23.210 38.049 3.930 1.00 47.76 C ATOM 308 N1 U F 5 23.009 37.129 5.072 1.00 49.31 N ATOM 309 C2 U F 5 23.007 37.698 6.323 1.00 50.28 C ATOM 310 O2 U F 5 23.124 38.892 6.503 1.00 51.33 O ATOM 311 N3 U F 5 22.862 36.824 7.365 1.00 51.33 N ATOM 312 C4 U F 5 22.712 35.470 7.289 1.00 51.52 C ATOM 313 O4 U F 5 22.606 34.833 8.329 1.00 52.04 O ATOM 314 C5 U F 5 22.702 34.937 5.955 1.00 50.29 C ATOM 315 C6 U F 5 22.847 35.768 4.914 1.00 49.86 C ATOM 316 P U F 6 27.608 37.064 2.446 1.00 47.10 P ATOM 317 OP1 U F 6 28.621 37.646 1.524 1.00 46.60 O ATOM 318 OP2 U F 6 27.509 35.598 2.591 1.00 46.57 O ATOM 319 O5' U F 6 27.840 37.667 3.912 1.00 48.82 O ATOM 320 C5' U F 6 28.276 39.017 4.065 1.00 50.81 C ATOM 321 C4' U F 6 28.331 39.441 5.525 1.00 51.39 C ATOM 322 O4' U F 6 27.095 39.137 6.222 1.00 51.04 O ATOM 323 C3' U F 6 29.353 38.843 6.478 1.00 51.00 C ATOM 324 O3' U F 6 30.686 39.279 6.267 1.00 49.24 O ATOM 325 C2' U F 6 28.839 39.401 7.796 1.00 52.03 C ATOM 326 O2' U F 6 29.093 40.783 7.935 1.00 52.68 O ATOM 327 C1' U F 6 27.337 39.204 7.623 1.00 52.66 C ATOM 328 N1 U F 6 26.908 37.943 8.274 1.00 54.99 N ATOM 329 C2 U F 6 26.884 37.920 9.678 1.00 55.75 C ATOM 330 O2 U F 6 27.218 38.871 10.369 1.00 57.02 O ATOM 331 N3 U F 6 26.470 36.738 10.232 1.00 55.04 N ATOM 332 C4 U F 6 26.101 35.603 9.561 1.00 55.79 C ATOM 333 O4 U F 6 25.720 34.629 10.203 1.00 55.89 O ATOM 334 C5 U F 6 26.165 35.695 8.127 1.00 55.37 C ATOM 335 C6 U F 6 26.553 36.832 7.548 1.00 54.52 C ATOM 336 P A F 7 31.905 38.425 6.889 1.00 50.60 P ATOM 337 OP1 A F 7 33.156 38.985 6.304 1.00 49.37 O ATOM 338 OP2 A F 7 31.620 36.960 6.755 1.00 50.01 O ATOM 339 O5' A F 7 31.874 38.791 8.438 1.00 49.02 O ATOM 340 C5' A F 7 32.065 40.140 8.868 1.00 48.48 C ATOM 341 C4' A F 7 32.363 40.203 10.356 1.00 47.28 C ATOM 342 O4' A F 7 31.142 40.023 11.131 1.00 47.48 O ATOM 343 C3' A F 7 33.297 39.146 10.899 1.00 45.43 C ATOM 344 O3' A F 7 34.640 39.490 10.696 1.00 45.71 O ATOM 345 C2' A F 7 32.938 39.151 12.368 1.00 46.79 C ATOM 346 O2' A F 7 33.420 40.295 13.029 1.00 47.02 O ATOM 347 C1' A F 7 31.418 39.244 12.288 1.00 46.96 C ATOM 348 N9 A F 7 30.789 37.921 12.105 1.00 48.19 N ATOM 349 C8 A F 7 30.604 37.259 10.913 1.00 49.01 C ATOM 350 N7 A F 7 29.998 36.105 11.038 1.00 49.49 N ATOM 351 C5 A F 7 29.763 36.001 12.399 1.00 48.55 C ATOM 352 C6 A F 7 29.124 35.028 13.155 1.00 48.86 C ATOM 353 N6 A F 7 28.555 33.945 12.619 1.00 48.32 N ATOM 354 N1 A F 7 29.070 35.203 14.496 1.00 48.95 N ATOM 355 C2 A F 7 29.608 36.309 15.013 1.00 49.18 C ATOM 356 N3 A F 7 30.216 37.318 14.391 1.00 49.92 N ATOM 357 C4 A F 7 30.262 37.099 13.071 1.00 48.37 C ATOM 358 P C F 8 35.750 38.341 10.774 1.00 47.66 P ATOM 359 OP1 C F 8 37.099 38.965 10.734 1.00 44.99 O ATOM 360 OP2 C F 8 35.389 37.281 9.772 1.00 46.73 O ATOM 361 O5' C F 8 35.508 37.757 12.232 1.00 46.89 O ATOM 362 C5' C F 8 36.030 36.500 12.622 1.00 45.57 C ATOM 363 C4' C F 8 35.633 36.229 14.037 1.00 44.00 C ATOM 364 O4' C F 8 34.197 36.383 14.140 1.00 44.14 O ATOM 365 C3' C F 8 35.902 34.826 14.531 1.00 44.23 C ATOM 366 O3' C F 8 37.222 34.696 15.026 1.00 44.58 O ATOM 367 C2' C F 8 34.889 34.697 15.654 1.00 45.53 C ATOM 368 O2' C F 8 35.320 35.294 16.854 1.00 44.60 O ATOM 369 C1' C F 8 33.683 35.423 15.053 1.00 44.87 C ATOM 370 N1 C F 8 32.842 34.459 14.305 1.00 46.09 N ATOM 371 C2 C F 8 32.066 33.551 15.024 1.00 47.67 C ATOM 372 O2 C F 8 32.016 33.660 16.248 1.00 48.52 O ATOM 373 N3 C F 8 31.381 32.578 14.366 1.00 47.79 N ATOM 374 C4 C F 8 31.442 32.514 13.039 1.00 48.44 C ATOM 375 N4 C F 8 30.817 31.506 12.432 1.00 48.69 N ATOM 376 C5 C F 8 32.170 33.477 12.271 1.00 49.38 C ATOM 377 C6 C F 8 32.849 34.424 12.942 1.00 47.83 C ATOM 378 P G F 9 37.969 33.271 14.931 1.00 47.23 P ATOM 379 OP1 G F 9 39.371 33.456 15.397 1.00 45.95 O ATOM 380 OP2 G F 9 37.719 32.745 13.572 1.00 45.37 O ATOM 381 O5' G F 9 37.202 32.357 15.989 1.00 43.74 O ATOM 382 C5' G F 9 37.245 32.675 17.361 1.00 43.47 C ATOM 383 C4' G F 9 36.414 31.706 18.157 1.00 42.51 C ATOM 384 O4' G F 9 35.015 31.843 17.812 1.00 42.49 O ATOM 385 C3' G F 9 36.681 30.242 17.912 1.00 42.70 C ATOM 386 O3' G F 9 37.837 29.794 18.592 1.00 42.15 O ATOM 387 C2' G F 9 35.420 29.620 18.478 1.00 43.91 C ATOM 388 O2' G F 9 35.418 29.594 19.884 1.00 44.79 O ATOM 389 C1' G F 9 34.357 30.599 17.974 1.00 43.33 C ATOM 390 N9 G F 9 33.838 30.150 16.657 1.00 42.60 N ATOM 391 C8 G F 9 34.135 30.672 15.424 1.00 42.43 C ATOM 392 N7 G F 9 33.590 30.010 14.443 1.00 42.18 N ATOM 393 C5 G F 9 32.876 28.997 15.066 1.00 42.35 C ATOM 394 C6 G F 9 32.100 27.953 14.512 1.00 41.88 C ATOM 395 O6 G F 9 31.902 27.694 13.323 1.00 41.60 O ATOM 396 N1 G F 9 31.536 27.155 15.498 1.00 40.97 N ATOM 397 C2 G F 9 31.716 27.327 16.848 1.00 41.81 C ATOM 398 N2 G F 9 31.082 26.462 17.643 1.00 40.92 N ATOM 399 N3 G F 9 32.460 28.285 17.376 1.00 41.36 N ATOM 400 C4 G F 9 33.001 29.081 16.432 1.00 41.73 C ATOM 401 P G F 10 38.660 28.556 17.995 1.00 42.82 P ATOM 402 OP1 G F 10 39.839 28.423 18.873 1.00 43.35 O ATOM 403 OP2 G F 10 38.851 28.683 16.528 1.00 39.92 O ATOM 404 O5' G F 10 37.687 27.326 18.244 1.00 39.65 O ATOM 405 C5' G F 10 37.327 26.946 19.553 1.00 36.35 C ATOM 406 C4' G F 10 36.318 25.832 19.502 1.00 35.74 C ATOM 407 O4' G F 10 35.215 26.251 18.668 1.00 36.54 O ATOM 408 C3' G F 10 36.762 24.530 18.837 1.00 34.82 C ATOM 409 O3' G F 10 37.601 23.693 19.635 1.00 31.87 O ATOM 410 C2' G F 10 35.423 23.882 18.524 1.00 34.54 C ATOM 411 O2' G F 10 34.866 23.317 19.692 1.00 32.84 O ATOM 412 C1' G F 10 34.594 25.104 18.102 1.00 35.17 C ATOM 413 N9 G F 10 34.502 25.290 16.634 1.00 35.54 N ATOM 414 C8 G F 10 35.223 26.167 15.864 1.00 35.68 C ATOM 415 N7 G F 10 34.941 26.079 14.591 1.00 36.22 N ATOM 416 C5 G F 10 33.971 25.089 14.514 1.00 34.49 C ATOM 417 C6 G F 10 33.286 24.562 13.393 1.00 34.58 C ATOM 418 O6 G F 10 33.397 24.883 12.201 1.00 34.41 O ATOM 419 N1 G F 10 32.381 23.572 13.763 1.00 34.30 N ATOM 420 C2 G F 10 32.150 23.156 15.046 1.00 34.35 C ATOM 421 N2 G F 10 31.209 22.226 15.208 1.00 31.50 N ATOM 422 N3 G F 10 32.788 23.632 16.099 1.00 36.05 N ATOM 423 C4 G F 10 33.679 24.594 15.762 1.00 35.71 C TER 424 G F 10 HETATM 425 S SO4 B1011 30.053 26.637 7.371 1.00 86.57 S HETATM 426 O1 SO4 B1011 30.409 27.656 6.153 1.00 85.77 O HETATM 427 O2 SO4 B1011 29.672 27.517 8.472 1.00 85.45 O HETATM 428 O3 SO4 B1011 29.153 25.753 7.025 1.00 85.65 O HETATM 429 O4 SO4 B1011 31.357 26.083 7.677 1.00 86.02 O HETATM 430 O HOH B2001 30.292 18.343 13.419 1.00 42.48 O HETATM 431 O HOH B2002 21.676 22.585 8.240 1.00 37.29 O HETATM 432 O HOH B2003 24.691 25.678 13.829 1.00 37.33 O HETATM 433 O HOH B2004 20.843 22.652 16.345 1.00 50.37 O HETATM 434 O HOH B2005 26.660 27.582 13.043 1.00 42.40 O HETATM 435 O HOH B2006 32.202 32.057 20.572 1.00 44.85 O HETATM 436 O HOH B2007 28.831 29.046 11.262 1.00 44.32 O HETATM 437 O HOH B2008 26.314 30.598 12.916 1.00 51.67 O HETATM 438 O HOH B2009 18.497 28.853 23.889 1.00 51.62 O HETATM 439 O HOH B2010 23.210 33.385 16.583 1.00 59.21 O HETATM 440 O HOH B2011 19.624 35.053 12.322 1.00 44.08 O HETATM 441 O HOH B2012 3.468 36.627 4.788 1.00 45.17 O HETATM 442 O HOH B2013 27.893 26.473 10.194 1.00 38.22 O HETATM 443 O HOH B2014 34.437 25.771 8.595 1.00 47.41 O HETATM 444 O HOH B2015 29.753 30.918 8.205 1.00 49.21 O HETATM 445 O HOH B2016 31.843 28.236 10.201 1.00 57.11 O HETATM 446 O HOH F2001 11.141 24.352 10.677 1.00 51.50 O HETATM 447 O HOH F2002 14.153 23.401 11.079 1.00 54.38 O HETATM 448 O HOH F2003 29.515 17.783 15.848 1.00 24.29 O HETATM 449 O HOH F2004 12.438 33.708 2.748 1.00 44.16 O HETATM 450 O HOH F2005 18.310 32.216 10.516 1.00 54.02 O HETATM 451 O HOH F2006 17.820 29.596 9.358 1.00 30.70 O HETATM 452 O HOH F2007 19.561 38.251 2.226 1.00 58.12 O HETATM 453 O HOH F2008 19.587 26.530 2.981 1.00 57.34 O HETATM 454 O HOH F2009 22.660 32.269 8.773 1.00 46.98 O HETATM 455 O HOH F2010 22.930 32.277 -3.265 1.00 35.41 O HETATM 456 O HOH F2011 29.754 34.026 9.017 1.00 49.38 O HETATM 457 O HOH F2012 33.242 34.816 18.342 1.00 51.93 O HETATM 458 O HOH F2013 31.677 31.671 9.385 1.00 37.55 O HETATM 459 O HOH F2014 34.219 30.049 11.749 1.00 34.55 O HETATM 460 O HOH F2015 36.445 22.812 22.256 1.00 50.64 O HETATM 461 O HOH F2016 30.629 20.084 17.515 1.00 32.63 O HETATM 462 O HOH F2017 33.158 21.420 19.298 1.00 43.18 O ENDMDL MASTER 28 0 0 0 0 0 6 6 1876 8 0 8 END