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 C 1 16.692 63.150 27.197 1.00 54.02 O HETATM 2 C5' 6HC C 1 17.082 62.333 26.106 1.00 53.06 C HETATM 3 C4' 6HC C 1 18.515 62.614 25.753 1.00 53.02 C HETATM 4 O4' 6HC C 1 18.754 64.016 25.757 1.00 51.65 O HETATM 5 C3' 6HC C 1 19.560 61.941 26.633 1.00 54.15 C HETATM 6 O3' 6HC C 1 19.347 60.517 26.580 1.00 57.33 O HETATM 7 C2' 6HC C 1 20.950 62.251 26.094 1.00 52.66 C HETATM 8 C1' 6HC C 1 21.202 63.690 25.591 1.00 51.09 C HETATM 9 C6' 6HC C 1 19.945 64.315 25.004 1.00 51.66 C HETATM 10 N1 6HC C 1 21.805 64.551 26.641 1.00 48.74 N HETATM 11 C2 6HC C 1 23.215 64.632 26.727 1.00 48.08 C HETATM 12 O2 6HC C 1 23.925 64.009 25.885 1.00 46.22 O HETATM 13 N3 6HC C 1 23.762 65.381 27.719 1.00 46.46 N HETATM 14 C4 6HC C 1 22.970 66.031 28.584 1.00 46.87 C HETATM 15 N4 6HC C 1 23.552 66.727 29.573 1.00 49.26 N HETATM 16 C5 6HC C 1 21.546 65.990 28.490 1.00 46.05 C HETATM 17 C6 6HC C 1 21.013 65.248 27.521 1.00 48.06 C HETATM 18 P 6HC C 2 20.008 59.555 27.698 1.00 60.39 P HETATM 19 OP1 6HC C 2 19.479 58.173 27.437 1.00 60.00 O HETATM 20 OP2 6HC C 2 19.799 60.186 29.040 1.00 58.26 O HETATM 21 O5' 6HC C 2 21.574 59.587 27.371 1.00 57.15 O HETATM 22 C5' 6HC C 2 22.177 58.625 26.494 1.00 56.26 C HETATM 23 C4' 6HC C 2 23.643 58.932 26.348 1.00 55.78 C HETATM 24 O4' 6HC C 2 23.723 60.357 26.176 1.00 55.63 O HETATM 25 C3' 6HC C 2 24.479 58.502 27.563 1.00 56.84 C HETATM 26 O3' 6HC C 2 24.614 57.073 27.589 1.00 57.99 O HETATM 27 C2' 6HC C 2 25.892 59.039 27.459 1.00 55.29 C HETATM 28 C1' 6HC C 2 25.988 60.514 27.134 1.00 53.46 C HETATM 29 C6' 6HC C 2 25.074 60.827 25.967 1.00 54.85 C HETATM 30 N1 6HC C 2 25.723 61.399 28.314 1.00 52.44 N HETATM 31 C2 6HC C 2 26.840 61.891 29.077 1.00 52.37 C HETATM 32 O2 6HC C 2 27.996 61.479 28.827 1.00 52.32 O HETATM 33 N3 6HC C 2 26.612 62.791 30.068 1.00 51.60 N HETATM 34 C4 6HC C 2 25.363 63.191 30.337 1.00 52.84 C HETATM 35 N4 6HC C 2 25.209 64.130 31.269 1.00 53.22 N HETATM 36 C5 6HC C 2 24.216 62.658 29.642 1.00 51.73 C HETATM 37 C6 6HC C 2 24.442 61.777 28.648 1.00 51.51 C HETATM 38 P 6HG C 3 24.191 56.237 28.905 1.00 60.88 P HETATM 39 OP1 6HG C 3 23.555 54.949 28.457 1.00 59.99 O HETATM 40 OP2 6HG C 3 23.437 57.138 29.824 1.00 59.82 O HETATM 41 O5' 6HG C 3 25.568 55.901 29.626 1.00 58.83 O HETATM 42 C5' 6HG C 3 26.729 55.563 28.890 1.00 58.12 C HETATM 43 C4' 6HG C 3 27.929 56.172 29.555 1.00 58.35 C HETATM 44 O4' 6HG C 3 27.911 57.566 29.251 1.00 58.89 O HETATM 45 C3' 6HG C 3 27.976 55.975 31.072 1.00 59.16 C HETATM 46 O3' 6HG C 3 28.203 54.582 31.359 1.00 60.63 O HETATM 47 C2' 6HG C 3 29.130 56.763 31.671 1.00 59.27 C HETATM 48 C1' 6HG C 3 29.292 58.208 31.166 1.00 56.84 C HETATM 49 C6' 6HG C 3 29.131 58.226 29.667 1.00 58.11 C HETATM 50 N9 6HG C 3 28.364 59.164 31.826 1.00 55.36 N HETATM 51 C8 6HG C 3 27.041 59.417 31.525 1.00 54.63 C HETATM 52 N7 6HG C 3 26.523 60.367 32.257 1.00 54.36 N HETATM 53 C5 6HG C 3 27.556 60.754 33.094 1.00 53.82 C HETATM 54 C6 6HG C 3 27.605 61.768 34.098 1.00 55.03 C HETATM 55 O6 6HG C 3 26.718 62.583 34.438 1.00 56.10 O HETATM 56 N1 6HG C 3 28.846 61.799 34.726 1.00 54.21 N HETATM 57 C2 6HG C 3 29.907 60.981 34.416 1.00 54.53 C HETATM 58 N2 6HG C 3 31.015 61.143 35.150 1.00 54.11 N HETATM 59 N3 6HG C 3 29.884 60.064 33.465 1.00 53.58 N HETATM 60 C4 6HG C 3 28.688 60.003 32.854 1.00 54.07 C HETATM 61 P 6HT C 4 27.405 53.860 32.568 1.00 60.81 P HETATM 62 OP1 6HT C 4 27.547 52.390 32.461 1.00 59.59 O HETATM 63 OP2 6HT C 4 26.035 54.444 32.671 1.00 60.85 O HETATM 64 O5' 6HT C 4 28.243 54.297 33.837 1.00 58.72 O HETATM 65 C5' 6HT C 4 29.481 53.681 34.117 1.00 57.43 C HETATM 66 C4' 6HT C 4 30.260 54.570 35.034 1.00 57.61 C HETATM 67 O4' 6HT C 4 30.300 55.841 34.387 1.00 57.02 O HETATM 68 C3' 6HT C 4 29.606 54.692 36.407 1.00 56.34 C HETATM 69 O3' 6HT C 4 29.760 53.427 37.065 1.00 55.74 O HETATM 70 C2' 6HT C 4 30.322 55.757 37.218 1.00 57.45 C HETATM 71 C1' 6HT C 4 30.518 57.090 36.471 1.00 58.07 C HETATM 72 C6' 6HT C 4 31.113 56.790 35.112 1.00 57.93 C HETATM 73 N1 6HT C 4 29.225 57.865 36.351 1.00 56.95 N HETATM 74 C2 6HT C 4 29.081 58.994 37.122 1.00 57.28 C HETATM 75 O2 6HT C 4 29.962 59.414 37.865 1.00 58.80 O HETATM 76 N3 6HT C 4 27.862 59.615 36.999 1.00 56.96 N HETATM 77 C4 6HT C 4 26.799 59.228 36.206 1.00 57.34 C HETATM 78 O4 6HT C 4 25.751 59.870 36.228 1.00 58.25 O HETATM 79 C5 6HT C 4 27.028 58.052 35.406 1.00 56.58 C HETATM 80 C5M 6HT C 4 25.942 57.562 34.504 1.00 55.25 C HETATM 81 C6 6HT C 4 28.210 57.444 35.511 1.00 56.95 C HETATM 82 P 6HA C 5 28.520 52.742 37.841 1.00 55.61 P HETATM 83 OP1 6HA C 5 28.947 51.351 38.135 1.00 56.57 O HETATM 84 OP2 6HA C 5 27.220 52.962 37.149 1.00 53.86 O HETATM 85 O5' 6HA C 5 28.551 53.483 39.248 1.00 53.97 O HETATM 86 C5' 6HA C 5 29.688 53.339 40.107 1.00 51.79 C HETATM 87 C4' 6HA C 5 29.807 54.530 41.015 1.00 49.90 C HETATM 88 O4' 6HA C 5 30.152 55.657 40.187 1.00 49.01 O HETATM 89 C3' 6HA C 5 28.526 54.808 41.809 1.00 47.79 C HETATM 90 O3' 6HA C 5 28.367 53.771 42.779 1.00 44.23 O HETATM 91 C2' 6HA C 5 28.654 56.122 42.554 1.00 48.62 C HETATM 92 C1' 6HA C 5 29.137 57.294 41.680 1.00 49.53 C HETATM 93 C6' 6HA C 5 30.388 56.861 40.952 1.00 49.35 C HETATM 94 N9 6HA C 5 28.083 57.708 40.725 1.00 49.00 N HETATM 95 C8 6HA C 5 27.602 56.988 39.652 1.00 49.51 C HETATM 96 N7 6HA C 5 26.459 57.425 39.187 1.00 49.05 N HETATM 97 C5 6HA C 5 26.156 58.501 40.005 1.00 49.17 C HETATM 98 C6 6HA C 5 25.062 59.369 40.042 1.00 49.00 C HETATM 99 N6 6HA C 5 24.024 59.278 39.212 1.00 49.92 N HETATM 100 N1 6HA C 5 25.061 60.340 40.977 1.00 49.12 N HETATM 101 C2 6HA C 5 26.099 60.421 41.829 1.00 49.84 C HETATM 102 N3 6HA C 5 27.185 59.655 41.908 1.00 50.03 N HETATM 103 C4 6HA C 5 27.152 58.697 40.953 1.00 49.81 C HETATM 104 P 6HA C 6 26.917 53.141 43.065 1.00 44.50 P HETATM 105 OP1 6HA C 6 27.131 51.904 43.868 1.00 43.13 O HETATM 106 OP2 6HA C 6 26.099 53.066 41.827 1.00 43.00 O HETATM 107 O5' 6HA C 6 26.260 54.192 44.062 1.00 43.48 O HETATM 108 C5' 6HA C 6 26.728 54.297 45.409 1.00 39.88 C HETATM 109 C4' 6HA C 6 26.354 55.634 45.982 1.00 37.09 C HETATM 110 O4' 6HA C 6 26.851 56.640 45.088 1.00 35.56 O HETATM 111 C3' 6HA C 6 24.846 55.789 46.195 1.00 35.93 C HETATM 112 O3' 6HA C 6 24.470 54.913 47.267 1.00 34.12 O HETATM 113 C2' 6HA C 6 24.526 57.214 46.611 1.00 33.85 C HETATM 114 C1' 6HA C 6 25.142 58.281 45.708 1.00 33.19 C HETATM 115 C6' 6HA C 6 26.614 57.979 45.581 1.00 34.10 C HETATM 116 N9 6HA C 6 24.491 58.322 44.375 1.00 32.89 N HETATM 117 C8 6HA C 6 24.704 57.467 43.309 1.00 32.75 C HETATM 118 N7 6HA C 6 23.843 57.611 42.334 1.00 32.81 N HETATM 119 C5 6HA C 6 23.009 58.631 42.774 1.00 31.34 C HETATM 120 C6 6HA C 6 21.895 59.259 42.188 1.00 29.86 C HETATM 121 N6 6HA C 6 21.396 58.919 41.011 1.00 28.12 N HETATM 122 N1 6HA C 6 21.303 60.259 42.875 1.00 30.80 N HETATM 123 C2 6HA C 6 21.797 60.587 44.070 1.00 30.36 C HETATM 124 N3 6HA C 6 22.828 60.066 44.730 1.00 29.38 N HETATM 125 C4 6HA C 6 23.399 59.082 44.023 1.00 31.34 C HETATM 126 P 6HT C 7 23.118 54.057 47.179 1.00 34.91 P HETATM 127 OP1 6HT C 7 23.311 52.945 48.148 1.00 34.51 O HETATM 128 OP2 6HT C 7 22.775 53.772 45.773 1.00 32.98 O HETATM 129 O5' 6HT C 7 21.958 55.006 47.718 1.00 32.91 O HETATM 130 C5' 6HT C 7 22.052 55.644 48.990 1.00 29.21 C HETATM 131 C4' 6HT C 7 21.133 56.828 49.022 1.00 26.69 C HETATM 132 O4' 6HT C 7 21.664 57.776 48.084 1.00 27.23 O HETATM 133 C3' 6HT C 7 19.699 56.472 48.650 1.00 26.20 C HETATM 134 O3' 6HT C 7 19.136 55.669 49.700 1.00 27.80 O HETATM 135 C2' 6HT C 7 18.876 57.738 48.549 1.00 26.39 C HETATM 136 C1' 6HT C 7 19.507 58.836 47.688 1.00 27.86 C HETATM 137 C6' 6HT C 7 20.954 59.024 48.075 1.00 26.18 C HETATM 138 N1 6HT C 7 19.342 58.556 46.224 1.00 29.31 N HETATM 139 C2 6HT C 7 18.309 59.201 45.584 1.00 31.56 C HETATM 140 O2 6HT C 7 17.592 60.019 46.133 1.00 31.22 O HETATM 141 N3 6HT C 7 18.161 58.859 44.256 1.00 32.32 N HETATM 142 C4 6HT C 7 18.936 57.980 43.531 1.00 30.47 C HETATM 143 O4 6HT C 7 18.691 57.780 42.358 1.00 33.50 O HETATM 144 C5 6HT C 7 19.997 57.362 44.248 1.00 30.75 C HETATM 145 C5M 6HT C 7 20.852 56.372 43.533 1.00 31.13 C HETATM 146 C6 6HT C 7 20.166 57.681 45.536 1.00 29.39 C HETATM 147 P 6HG C 8 17.833 54.764 49.423 1.00 29.20 P HETATM 148 OP1 6HG C 8 17.624 53.930 50.610 1.00 28.87 O HETATM 149 OP2 6HG C 8 17.988 54.144 48.099 1.00 29.41 O HETATM 150 O5' 6HG C 8 16.613 55.773 49.331 1.00 29.12 O HETATM 151 C5' 6HG C 8 16.159 56.499 50.470 1.00 27.27 C HETATM 152 C4' 6HG C 8 15.166 57.542 50.030 1.00 27.08 C HETATM 153 O4' 6HG C 8 15.846 58.459 49.142 1.00 27.77 O HETATM 154 C3' 6HG C 8 13.959 56.919 49.337 1.00 25.67 C HETATM 155 O3' 6HG C 8 13.235 56.209 50.342 1.00 28.27 O HETATM 156 C2' 6HG C 8 13.081 57.995 48.745 1.00 24.77 C HETATM 157 C1' 6HG C 8 13.841 58.971 47.858 1.00 27.00 C HETATM 158 C6' 6HG C 8 14.988 59.520 48.658 1.00 26.13 C HETATM 159 N9 6HG C 8 14.332 58.311 46.619 1.00 28.18 N HETATM 160 C8 6HG C 8 15.483 57.568 46.464 1.00 28.89 C HETATM 161 N7 6HG C 8 15.641 57.109 45.251 1.00 29.87 N HETATM 162 C5 6HG C 8 14.527 57.561 44.564 1.00 29.24 C HETATM 163 C6 6HG C 8 14.145 57.376 43.215 1.00 29.48 C HETATM 164 O6 6HG C 8 14.709 56.720 42.339 1.00 30.98 O HETATM 165 N1 6HG C 8 12.966 58.052 42.922 1.00 27.95 N HETATM 166 C2 6HG C 8 12.242 58.797 43.819 1.00 26.42 C HETATM 167 N2 6HG C 8 11.143 59.400 43.336 1.00 24.76 N HETATM 168 N3 6HG C 8 12.569 58.949 45.084 1.00 26.13 N HETATM 169 C4 6HG C 8 13.715 58.320 45.387 1.00 27.18 C HETATM 170 P 6HC C 9 12.384 54.884 49.967 1.00 29.00 P HETATM 171 OP1 6HC C 9 11.952 54.241 51.224 1.00 31.05 O HETATM 172 OP2 6HC C 9 13.135 54.092 48.958 1.00 29.79 O HETATM 173 O5' 6HC C 9 11.083 55.450 49.252 1.00 28.68 O HETATM 174 C5' 6HC C 9 10.050 56.118 49.966 1.00 29.56 C HETATM 175 C4' 6HC C 9 9.106 56.747 48.980 1.00 31.47 C HETATM 176 O4' 6HC C 9 9.910 57.671 48.210 1.00 31.56 O HETATM 177 C3' 6HC C 9 8.451 55.681 48.082 1.00 33.95 C HETATM 178 O3' 6HC C 9 7.410 55.052 48.843 1.00 35.70 O HETATM 179 C2' 6HC C 9 7.800 56.314 46.871 1.00 32.79 C HETATM 180 C1' 6HC C 9 8.692 57.281 46.116 1.00 32.93 C HETATM 181 C6' 6HC C 9 9.219 58.293 47.097 1.00 31.49 C HETATM 182 N1 6HC C 9 9.793 56.571 45.374 1.00 33.62 N HETATM 183 C2 6HC C 9 9.596 56.271 44.021 1.00 34.62 C HETATM 184 O2 6HC C 9 8.531 56.596 43.488 1.00 37.17 O HETATM 185 N3 6HC C 9 10.562 55.626 43.331 1.00 34.53 N HETATM 186 C4 6HC C 9 11.681 55.263 43.941 1.00 34.61 C HETATM 187 N4 6HC C 9 12.578 54.584 43.231 1.00 32.79 N HETATM 188 C5 6HC C 9 11.924 55.569 45.316 1.00 34.54 C HETATM 189 C6 6HC C 9 10.965 56.215 45.986 1.00 34.30 C HETATM 190 P 6HC C 10 7.088 53.486 48.653 1.00 40.60 P HETATM 191 OP1 6HC C 10 6.042 53.171 49.660 1.00 41.54 O HETATM 192 OP2 6HC C 10 8.333 52.691 48.638 1.00 39.04 O HETATM 193 O5' 6HC C 10 6.397 53.400 47.225 1.00 37.66 O HETATM 194 C5' 6HC C 10 5.144 54.042 46.979 1.00 37.85 C HETATM 195 C4' 6HC C 10 4.799 53.930 45.524 1.00 37.45 C HETATM 196 O4' 6HC C 10 5.737 54.776 44.866 1.00 37.21 O HETATM 197 C3' 6HC C 10 4.951 52.492 45.040 1.00 39.61 C HETATM 198 O3' 6HC C 10 3.965 51.699 45.711 1.00 42.41 O HETATM 199 C2' 6HC C 10 4.861 52.427 43.534 1.00 38.73 C HETATM 200 C1' 6HC C 10 5.788 53.410 42.824 1.00 38.78 C HETATM 201 C6' 6HC C 10 5.612 54.779 43.430 1.00 39.04 C HETATM 202 N1 6HC C 10 7.206 52.953 42.858 1.00 37.46 N HETATM 203 C2 6HC C 10 7.733 52.333 41.721 1.00 38.21 C HETATM 204 O2 6HC C 10 7.050 52.265 40.689 1.00 38.93 O HETATM 205 N3 6HC C 10 8.977 51.826 41.767 1.00 37.70 N HETATM 206 C4 6HC C 10 9.704 51.938 42.871 1.00 35.70 C HETATM 207 N4 6HC C 10 10.909 51.375 42.871 1.00 32.87 N HETATM 208 C5 6HC C 10 9.220 52.616 44.023 1.00 35.83 C HETATM 209 C6 6HC C 10 7.976 53.099 43.974 1.00 36.62 C TER 210 6HC C 10 ATOM 211 O5' G G 1 14.491 48.692 33.595 1.00 34.43 O ATOM 212 C5' G G 1 13.736 48.905 32.418 1.00 31.83 C ATOM 213 C4' G G 1 12.291 49.254 32.673 1.00 32.24 C ATOM 214 O4' G G 1 11.730 48.392 33.709 1.00 33.19 O ATOM 215 C3' G G 1 12.011 50.648 33.191 1.00 32.33 C ATOM 216 O3' G G 1 12.040 51.592 32.134 1.00 32.36 O ATOM 217 C2' G G 1 10.615 50.463 33.750 1.00 32.50 C ATOM 218 O2' G G 1 9.673 50.367 32.695 1.00 32.89 O ATOM 219 C1' G G 1 10.774 49.112 34.458 1.00 31.83 C ATOM 220 N9 G G 1 11.302 49.238 35.837 1.00 32.18 N ATOM 221 C8 G G 1 12.545 48.844 36.286 1.00 32.81 C ATOM 222 N7 G G 1 12.747 49.111 37.546 1.00 31.05 N ATOM 223 C5 G G 1 11.569 49.711 37.956 1.00 30.48 C ATOM 224 C6 G G 1 11.225 50.260 39.200 1.00 30.52 C ATOM 225 O6 G G 1 11.905 50.311 40.219 1.00 28.75 O ATOM 226 N1 G G 1 9.947 50.804 39.183 1.00 30.79 N ATOM 227 C2 G G 1 9.102 50.817 38.089 1.00 31.01 C ATOM 228 N2 G G 1 7.892 51.400 38.262 1.00 28.12 N ATOM 229 N3 G G 1 9.423 50.304 36.911 1.00 29.03 N ATOM 230 C4 G G 1 10.661 49.782 36.914 1.00 30.19 C ATOM 231 P G G 2 12.354 53.135 32.447 1.00 31.90 P ATOM 232 OP1 G G 2 12.327 53.825 31.141 1.00 36.68 O ATOM 233 OP2 G G 2 13.545 53.259 33.321 1.00 32.72 O ATOM 234 O5' G G 2 11.072 53.637 33.233 1.00 31.42 O ATOM 235 C5' G G 2 9.803 53.686 32.593 1.00 33.08 C ATOM 236 C4' G G 2 8.766 54.262 33.529 1.00 34.54 C ATOM 237 O4' G G 2 8.612 53.381 34.674 1.00 35.13 O ATOM 238 C3' G G 2 9.149 55.582 34.168 1.00 35.96 C ATOM 239 O3' G G 2 8.918 56.679 33.310 1.00 37.30 O ATOM 240 C2' G G 2 8.261 55.602 35.395 1.00 36.49 C ATOM 241 O2' G G 2 6.914 55.900 35.080 1.00 38.02 O ATOM 242 C1' G G 2 8.385 54.150 35.846 1.00 34.73 C ATOM 243 N9 G G 2 9.511 53.939 36.787 1.00 33.88 N ATOM 244 C8 G G 2 10.708 53.323 36.543 1.00 33.26 C ATOM 245 N7 G G 2 11.482 53.276 37.589 1.00 33.55 N ATOM 246 C5 G G 2 10.759 53.904 38.580 1.00 34.03 C ATOM 247 C6 G G 2 11.087 54.164 39.927 1.00 35.53 C ATOM 248 O6 G G 2 12.122 53.875 40.543 1.00 35.37 O ATOM 249 N1 G G 2 10.061 54.839 40.577 1.00 34.94 N ATOM 250 C2 G G 2 8.874 55.222 40.006 1.00 34.88 C ATOM 251 N2 G G 2 8.016 55.883 40.795 1.00 35.59 N ATOM 252 N3 G G 2 8.553 54.982 38.756 1.00 34.63 N ATOM 253 C4 G G 2 9.539 54.324 38.102 1.00 34.87 C ATOM 254 P C G 3 9.880 57.944 33.391 1.00 37.16 P ATOM 255 OP1 C G 3 9.410 58.895 32.360 1.00 40.03 O ATOM 256 OP2 C G 3 11.271 57.473 33.351 1.00 36.93 O ATOM 257 O5' C G 3 9.546 58.532 34.828 1.00 36.84 O ATOM 258 C5' C G 3 8.288 59.157 35.075 1.00 34.03 C ATOM 259 C4' C G 3 8.212 59.687 36.489 1.00 32.80 C ATOM 260 O4' C G 3 8.312 58.579 37.408 1.00 31.23 O ATOM 261 C3' C G 3 9.308 60.616 36.974 1.00 33.51 C ATOM 262 O3' C G 3 9.088 61.943 36.569 1.00 33.88 O ATOM 263 C2' C G 3 9.127 60.510 38.475 1.00 33.14 C ATOM 264 O2' C G 3 7.962 61.177 38.920 1.00 33.31 O ATOM 265 C1' C G 3 8.902 59.013 38.624 1.00 32.32 C ATOM 266 N1 C G 3 10.196 58.290 38.838 1.00 32.31 N ATOM 267 C2 C G 3 10.733 58.268 40.123 1.00 31.60 C ATOM 268 O2 C G 3 10.069 58.733 41.047 1.00 35.90 O ATOM 269 N3 C G 3 11.944 57.717 40.326 1.00 31.51 N ATOM 270 C4 C G 3 12.602 57.158 39.303 1.00 31.55 C ATOM 271 N4 C G 3 13.822 56.661 39.535 1.00 28.59 N ATOM 272 C5 C G 3 12.046 57.101 37.995 1.00 29.78 C ATOM 273 C6 C G 3 10.862 57.682 37.802 1.00 30.82 C ATOM 274 P A G 4 10.339 62.909 36.303 1.00 36.21 P ATOM 275 OP1 A G 4 9.762 64.088 35.628 1.00 38.78 O ATOM 276 OP2 A G 4 11.446 62.159 35.656 1.00 35.52 O ATOM 277 O5' A G 4 10.893 63.320 37.739 1.00 35.44 O ATOM 278 C5' A G 4 10.090 63.975 38.697 1.00 34.12 C ATOM 279 C4' A G 4 10.771 63.960 40.048 1.00 33.76 C ATOM 280 O4' A G 4 10.902 62.584 40.534 1.00 34.87 O ATOM 281 C3' A G 4 12.209 64.440 40.081 1.00 34.27 C ATOM 282 O3' A G 4 12.317 65.857 39.981 1.00 32.80 O ATOM 283 C2' A G 4 12.653 63.886 41.431 1.00 33.92 C ATOM 284 O2' A G 4 12.079 64.598 42.504 1.00 35.18 O ATOM 285 C1' A G 4 12.028 62.485 41.402 1.00 32.80 C ATOM 286 N9 A G 4 12.988 61.463 40.900 1.00 31.75 N ATOM 287 C8 A G 4 13.107 60.887 39.656 1.00 29.87 C ATOM 288 N7 A G 4 14.171 60.126 39.524 1.00 27.95 N ATOM 289 C5 A G 4 14.772 60.171 40.768 1.00 29.37 C ATOM 290 C6 A G 4 15.951 59.587 41.285 1.00 29.48 C ATOM 291 N6 A G 4 16.763 58.788 40.601 1.00 26.16 N ATOM 292 N1 A G 4 16.266 59.852 42.564 1.00 30.68 N ATOM 293 C2 A G 4 15.450 60.621 43.276 1.00 31.55 C ATOM 294 N3 A G 4 14.323 61.210 42.919 1.00 31.82 N ATOM 295 C4 A G 4 14.037 60.955 41.637 1.00 30.68 C ATOM 296 P U G 5 13.739 66.526 39.609 1.00 35.37 P ATOM 297 OP1 U G 5 13.514 67.988 39.630 1.00 36.78 O ATOM 298 OP2 U G 5 14.332 65.909 38.405 1.00 37.04 O ATOM 299 O5' U G 5 14.713 66.150 40.808 1.00 33.08 O ATOM 300 C5' U G 5 14.443 66.598 42.108 1.00 32.67 C ATOM 301 C4' U G 5 15.602 66.303 43.026 1.00 31.66 C ATOM 302 O4' U G 5 15.697 64.892 43.275 1.00 31.42 O ATOM 303 C3' U G 5 16.986 66.655 42.540 1.00 31.55 C ATOM 304 O3' U G 5 17.229 68.056 42.650 1.00 32.61 O ATOM 305 C2' U G 5 17.851 65.834 43.486 1.00 31.71 C ATOM 306 O2' U G 5 17.980 66.395 44.765 1.00 34.27 O ATOM 307 C1' U G 5 17.028 64.564 43.612 1.00 32.03 C ATOM 308 N1 U G 5 17.514 63.539 42.671 1.00 32.94 N ATOM 309 C2 U G 5 18.597 62.786 43.064 1.00 34.81 C ATOM 310 O2 U G 5 19.135 62.929 44.138 1.00 35.63 O ATOM 311 N3 U G 5 19.027 61.867 42.144 1.00 34.12 N ATOM 312 C4 U G 5 18.482 61.629 40.899 1.00 34.75 C ATOM 313 O4 U G 5 18.950 60.729 40.181 1.00 34.90 O ATOM 314 C5 U G 5 17.358 62.453 40.580 1.00 34.86 C ATOM 315 C6 U G 5 16.927 63.355 41.453 1.00 32.74 C ATOM 316 P U G 6 18.475 68.703 41.878 1.00 33.56 P ATOM 317 OP1 U G 6 18.649 70.060 42.428 1.00 34.20 O ATOM 318 OP2 U G 6 18.285 68.536 40.428 1.00 33.23 O ATOM 319 O5' U G 6 19.655 67.769 42.359 1.00 32.94 O ATOM 320 C5' U G 6 20.974 68.191 42.286 1.00 38.00 C ATOM 321 C4' U G 6 21.803 67.467 43.307 1.00 41.12 C ATOM 322 O4' U G 6 21.352 66.096 43.525 1.00 39.89 O ATOM 323 C3' U G 6 23.219 67.312 42.809 1.00 42.91 C ATOM 324 O3' U G 6 23.880 68.535 43.000 1.00 46.29 O ATOM 325 C2' U G 6 23.721 66.139 43.635 1.00 42.42 C ATOM 326 O2' U G 6 24.068 66.478 44.972 1.00 45.07 O ATOM 327 C1' U G 6 22.484 65.234 43.601 1.00 40.77 C ATOM 328 N1 U G 6 22.478 64.336 42.413 1.00 39.95 N ATOM 329 C2 U G 6 23.430 63.318 42.348 1.00 38.29 C ATOM 330 O2 U G 6 24.292 63.142 43.209 1.00 38.22 O ATOM 331 N3 U G 6 23.339 62.516 41.242 1.00 35.94 N ATOM 332 C4 U G 6 22.435 62.610 40.214 1.00 37.62 C ATOM 333 O4 U G 6 22.481 61.796 39.287 1.00 35.69 O ATOM 334 C5 U G 6 21.501 63.682 40.341 1.00 37.31 C ATOM 335 C6 U G 6 21.553 64.488 41.404 1.00 38.39 C ATOM 336 P A G 7 24.954 69.023 41.925 1.00 51.09 P ATOM 337 OP1 A G 7 25.285 70.416 42.360 1.00 51.09 O ATOM 338 OP2 A G 7 24.524 68.774 40.518 1.00 48.02 O ATOM 339 O5' A G 7 26.179 68.061 42.246 1.00 52.31 O ATOM 340 C5' A G 7 26.650 67.902 43.587 1.00 55.55 C ATOM 341 C4' A G 7 27.917 67.089 43.586 1.00 57.57 C ATOM 342 O4' A G 7 27.595 65.671 43.553 1.00 56.37 O ATOM 343 C3' A G 7 28.779 67.340 42.359 1.00 59.25 C ATOM 344 O3' A G 7 29.646 68.434 42.649 1.00 63.09 O ATOM 345 C2' A G 7 29.509 66.014 42.195 1.00 58.18 C ATOM 346 O2' A G 7 30.598 65.897 43.095 1.00 58.35 O ATOM 347 C1' A G 7 28.421 65.020 42.608 1.00 55.58 C ATOM 348 N9 A G 7 27.562 64.578 41.499 1.00 51.76 N ATOM 349 C8 A G 7 26.388 65.140 41.066 1.00 49.94 C ATOM 350 N7 A G 7 25.835 64.498 40.070 1.00 49.33 N ATOM 351 C5 A G 7 26.707 63.447 39.828 1.00 47.69 C ATOM 352 C6 A G 7 26.686 62.406 38.904 1.00 47.11 C ATOM 353 N6 A G 7 25.698 62.213 38.028 1.00 47.00 N ATOM 354 N1 A G 7 27.722 61.546 38.913 1.00 46.59 N ATOM 355 C2 A G 7 28.688 61.723 39.806 1.00 45.96 C ATOM 356 N3 A G 7 28.809 62.649 40.735 1.00 46.79 N ATOM 357 C4 A G 7 27.777 63.492 40.693 1.00 48.54 C ATOM 358 P C G 8 30.354 69.242 41.452 1.00 66.36 P ATOM 359 OP1 C G 8 31.347 70.106 42.153 1.00 66.32 O ATOM 360 OP2 C G 8 29.348 69.868 40.544 1.00 65.70 O ATOM 361 O5' C G 8 31.122 68.111 40.627 1.00 66.49 O ATOM 362 C5' C G 8 32.307 67.512 41.150 1.00 67.35 C ATOM 363 C4' C G 8 32.894 66.541 40.156 1.00 68.07 C ATOM 364 O4' C G 8 32.066 65.352 40.106 1.00 68.07 O ATOM 365 C3' C G 8 32.947 66.973 38.699 1.00 69.11 C ATOM 366 O3' C G 8 34.030 67.877 38.439 1.00 71.62 O ATOM 367 C2' C G 8 33.124 65.629 37.994 1.00 68.47 C ATOM 368 O2' C G 8 34.449 65.116 38.031 1.00 68.70 O ATOM 369 C1' C G 8 32.209 64.735 38.834 1.00 66.94 C ATOM 370 N1 C G 8 30.871 64.569 38.210 1.00 64.98 N ATOM 371 C2 C G 8 30.715 63.571 37.256 1.00 63.67 C ATOM 372 O2 C G 8 31.678 62.830 37.012 1.00 64.32 O ATOM 373 N3 C G 8 29.527 63.434 36.621 1.00 62.34 N ATOM 374 C4 C G 8 28.516 64.258 36.913 1.00 62.18 C ATOM 375 N4 C G 8 27.376 64.119 36.230 1.00 59.89 N ATOM 376 C5 C G 8 28.636 65.268 37.911 1.00 63.06 C ATOM 377 C6 C G 8 29.821 65.386 38.533 1.00 64.94 C ATOM 378 P G G 9 33.943 68.901 37.186 1.00 72.77 P ATOM 379 OP1 G G 9 35.238 69.618 37.233 1.00 72.36 O ATOM 380 OP2 G G 9 32.678 69.691 37.220 1.00 72.45 O ATOM 381 O5' G G 9 33.910 67.933 35.910 1.00 71.01 O ATOM 382 C5' G G 9 35.064 67.176 35.588 1.00 70.40 C ATOM 383 C4' G G 9 34.748 66.040 34.646 1.00 70.05 C ATOM 384 O4' G G 9 33.661 65.228 35.148 1.00 69.50 O ATOM 385 C3' G G 9 34.301 66.365 33.235 1.00 69.95 C ATOM 386 O3' G G 9 35.368 66.825 32.408 1.00 70.90 O ATOM 387 C2' G G 9 33.765 65.011 32.780 1.00 69.35 C ATOM 388 O2' G G 9 34.724 64.079 32.327 1.00 69.30 O ATOM 389 C1' G G 9 33.085 64.519 34.059 1.00 68.67 C ATOM 390 N9 G G 9 31.665 64.892 33.959 1.00 66.75 N ATOM 391 C8 G G 9 31.001 65.875 34.664 1.00 66.04 C ATOM 392 N7 G G 9 29.756 66.013 34.291 1.00 66.29 N ATOM 393 C5 G G 9 29.586 65.051 33.292 1.00 64.49 C ATOM 394 C6 G G 9 28.452 64.730 32.518 1.00 62.57 C ATOM 395 O6 G G 9 27.331 65.244 32.559 1.00 61.17 O ATOM 396 N1 G G 9 28.719 63.694 31.625 1.00 61.67 N ATOM 397 C2 G G 9 29.927 63.050 31.494 1.00 61.23 C ATOM 398 N2 G G 9 29.978 62.069 30.570 1.00 59.30 N ATOM 399 N3 G G 9 30.997 63.342 32.213 1.00 61.44 N ATOM 400 C4 G G 9 30.754 64.344 33.086 1.00 63.99 C ATOM 401 P G G 10 35.053 67.832 31.182 1.00 71.47 P ATOM 402 OP1 G G 10 36.365 68.188 30.554 1.00 70.85 O ATOM 403 OP2 G G 10 34.170 68.921 31.707 1.00 69.87 O ATOM 404 O5' G G 10 34.223 66.932 30.148 1.00 69.40 O ATOM 405 C5' G G 10 34.738 65.688 29.675 1.00 67.74 C ATOM 406 C4' G G 10 33.852 65.131 28.596 1.00 67.87 C ATOM 407 O4' G G 10 32.633 64.600 29.172 1.00 67.99 O ATOM 408 C3' G G 10 33.327 66.135 27.588 1.00 68.14 C ATOM 409 O3' G G 10 34.323 66.619 26.690 1.00 69.46 O ATOM 410 C2' G G 10 32.157 65.376 26.971 1.00 68.03 C ATOM 411 O2' G G 10 32.537 64.399 26.023 1.00 68.25 O ATOM 412 C1' G G 10 31.589 64.666 28.200 1.00 67.66 C ATOM 413 N9 G G 10 30.417 65.375 28.771 1.00 66.51 N ATOM 414 C8 G G 10 30.415 66.285 29.804 1.00 65.99 C ATOM 415 N7 G G 10 29.221 66.735 30.089 1.00 65.45 N ATOM 416 C5 G G 10 28.378 66.086 29.188 1.00 64.68 C ATOM 417 C6 G G 10 26.969 66.165 29.030 1.00 64.02 C ATOM 418 O6 G G 10 26.160 66.838 29.676 1.00 64.51 O ATOM 419 N1 G G 10 26.521 65.345 28.004 1.00 63.25 N ATOM 420 C2 G G 10 27.319 64.541 27.230 1.00 63.95 C ATOM 421 N2 G G 10 26.689 63.816 26.293 1.00 62.71 N ATOM 422 N3 G G 10 28.635 64.451 27.367 1.00 64.61 N ATOM 423 C4 G G 10 29.095 65.248 28.362 1.00 65.42 C TER 424 G G 10 HETATM 425 S SO4 C1011 21.186 67.484 32.947 1.00102.70 S HETATM 426 O1 SO4 C1011 21.611 69.002 32.509 1.00102.70 O HETATM 427 O2 SO4 C1011 20.056 67.151 32.077 1.00102.27 O HETATM 428 O3 SO4 C1011 22.193 66.655 32.879 1.00102.70 O HETATM 429 O4 SO4 C1011 20.680 67.699 34.286 1.00102.28 O HETATM 430 S SO4 G1011 16.708 56.005 37.673 1.00 91.48 S HETATM 431 O1 SO4 G1011 16.185 55.308 39.046 1.00 91.97 O HETATM 432 O2 SO4 G1011 17.311 57.269 38.074 1.00 91.35 O HETATM 433 O3 SO4 G1011 17.502 55.218 37.017 1.00 92.09 O HETATM 434 O4 SO4 G1011 15.461 56.304 37.004 1.00 91.21 O HETATM 435 S SO4 G1012 4.852 51.858 35.658 1.00102.70 S HETATM 436 O1 SO4 G1012 4.309 52.700 36.953 1.00102.33 O HETATM 437 O2 SO4 G1012 3.816 50.858 35.388 1.00102.70 O HETATM 438 O3 SO4 G1012 5.134 52.644 34.654 1.00102.64 O HETATM 439 O4 SO4 G1012 5.989 51.162 36.211 1.00102.47 O HETATM 440 O HOH C2001 22.037 59.843 30.645 1.00 36.29 O HETATM 441 O HOH C2002 22.244 63.751 31.525 1.00 38.47 O HETATM 442 O HOH C2003 21.304 55.948 28.906 1.00 47.49 O HETATM 443 O HOH C2004 25.175 52.460 32.161 1.00 49.20 O HETATM 444 O HOH C2005 24.701 56.515 37.792 1.00 45.38 O HETATM 445 O HOH C2006 20.902 52.350 44.864 1.00 61.36 O HETATM 446 O HOH C2007 23.615 53.350 43.259 1.00 55.98 O HETATM 447 O HOH C2008 16.285 62.451 46.580 1.00 33.01 O HETATM 448 O HOH C2009 19.447 55.824 40.485 1.00 44.08 O HETATM 449 O HOH C2010 24.955 59.972 48.777 1.00 43.04 O HETATM 450 O HOH C2011 15.604 53.623 47.281 1.00 32.91 O HETATM 451 O HOH C2012 16.649 54.905 42.071 1.00 36.60 O HETATM 452 O HOH C2013 17.862 54.373 53.225 1.00 41.40 O HETATM 453 O HOH C2014 10.306 61.668 45.554 1.00 36.79 O HETATM 454 O HOH C2015 17.672 55.155 45.160 1.00 35.68 O HETATM 455 O HOH C2016 20.152 52.636 51.839 1.00 43.01 O HETATM 456 O HOH C2017 14.911 53.287 44.170 1.00 40.83 O HETATM 457 O HOH C2018 4.345 52.040 39.938 1.00 53.91 O HETATM 458 O HOH C2019 11.002 52.532 47.721 1.00 49.42 O HETATM 459 O HOH C2020 1.303 53.992 44.012 1.00 47.26 O HETATM 460 O HOH G2001 17.590 49.549 40.512 1.00 74.05 O HETATM 461 O HOH G2002 4.336 46.955 35.296 1.00 33.66 O HETATM 462 O HOH G2003 10.329 51.846 29.829 1.00 49.99 O HETATM 463 O HOH G2004 13.741 47.886 41.398 1.00 39.04 O HETATM 464 O HOH G2005 7.451 50.062 34.007 1.00 46.68 O HETATM 465 O HOH G2006 7.661 53.744 29.625 1.00 46.36 O HETATM 466 O HOH G2007 14.255 52.482 40.585 1.00 40.68 O HETATM 467 O HOH G2008 6.308 56.644 32.694 1.00 48.67 O HETATM 468 O HOH G2009 5.233 58.754 39.673 1.00 47.10 O HETATM 469 O HOH G2010 7.696 61.108 41.398 1.00 58.19 O HETATM 470 O HOH G2011 11.654 65.938 35.536 1.00 60.82 O HETATM 471 O HOH G2012 12.582 59.590 34.941 1.00 57.18 O HETATM 472 O HOH G2013 12.540 62.808 44.464 1.00 33.90 O HETATM 473 O HOH G2014 17.173 64.966 38.262 1.00 43.02 O HETATM 474 O HOH G2015 11.128 68.695 39.507 1.00 36.11 O HETATM 475 O HOH G2016 17.802 64.945 47.020 1.00 30.77 O HETATM 476 O HOH G2017 20.804 66.998 46.190 1.00 80.96 O HETATM 477 O HOH G2018 19.389 66.149 39.940 1.00 72.76 O HETATM 478 O HOH G2019 25.602 64.293 45.979 1.00 52.42 O HETATM 479 O HOH G2020 16.756 71.961 40.555 1.00 45.79 O HETATM 480 O HOH G2021 20.496 71.434 43.448 1.00 46.34 O HETATM 481 O HOH G2022 21.108 61.813 37.050 1.00 38.97 O HETATM 482 O HOH G2023 22.710 66.479 38.875 1.00 46.03 O HETATM 483 O HOH G2024 22.996 69.737 38.316 1.00 32.66 O HETATM 484 O HOH G2025 30.033 68.502 38.520 1.00 61.97 O HETATM 485 O HOH G2026 17.894 52.067 38.712 1.00 51.57 O HETATM 486 O HOH G2027 15.404 59.187 37.102 1.00 26.35 O HETATM 487 O HOH G2028 3.722 48.220 37.077 1.00 58.38 O ENDMDL MASTER 28 0 0 0 0 0 6 6 1876 8 0 8 END