HEADER DNA 13-DEC-04 XXXX TITLE CRYSTAL STRUCTURE OF THE A-DNA GCGTAT*CGC WITH A 2'-O- TITLE 2 PROPYL THYMIDINE (T*) COMPND 5'-D(*GP*CP*GP*TP*AP*(P2T)P*AP*CP*GP*C)-3' KEYWDS CRYSTAL STRUCTURE, A-DNA, O2'-MODIFICATION, DECAMER EXPDTA X-RAY DIFFRACTION AUTHOR M.EGLI, G.MINASOV, V.TERESHKO, P.S.PALLAN, M.TEPLOVA, AUTHOR 2 G.B.INAMATI, E.A.LESNIK, S.R.OWENS, B.S.ROSS, T.P.PRAKASH, AUTHOR 3 M.MANOHARAN JRNL AUTH M.EGLI, G.MINASOV, V.TERESHKO, P.S.PALLAN, JRNL AUTH 2 M.TEPLOVA, G.B.INAMATI, E.A.LESNIK, S.R.OWENS, JRNL AUTH 3 B.S.ROSS, T.P.PRAKASH, M.MANOHARAN JRNL TITL PROBING THE INFLUENCE OF STEREOELECTRONIC EFFECTS JRNL TITL 2 ON THE BIOPHYSICAL PROPERTIES OF OLIGONUCLEOTIDES: JRNL TITL 3 COMPREHENSIVE ANALYSIS OF THE RNA AFFINITY, JRNL TITL 4 NUCLEASE RESISTANCE, AND CRYSTAL STRUCTURE OF TEN JRNL TITL 5 2'-O-RIBONUCLEIC ACID MODIFICATIONS. JRNL REF BIOCHEMISTRY V. 44 9045 2005 JRNL REFN ASTM BICHAW US ISSN 0006-2960 JRNL PMID 15966728 JRNL DOI 10.1021/BI050574M SEQRES 1 A 10 DG DC DG DT DA P2T DA DC DG DC SEQRES 1 B 10 DG DC DG DT DA P2T DA DC DG DC HETNAM P2T 2'-O-PROPYL THYMIDINE-5-MONOPHOSPHATE FORMUL 1 P2T 2(C13 H21 N2 O9 P) FORMUL 3 HOH *119(H2 O) LINK O3' DA A 5 P P2T A 6 1555 1555 1.61 LINK O3' P2T A 6 P DA A 7 1555 1555 1.61 LINK O3' DA B 15 P P2T B 16 1555 1555 1.60 LINK O3' P2T B 16 P DA B 17 1555 1555 1.61 CRYST1 24.831 45.314 45.682 90.00 90.00 90.00 P 21 21 21 8 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 0.040272 0.000000 0.000000 0.00000 SCALE2 0.000000 0.022068 0.000000 0.00000 SCALE3 0.000000 0.000000 0.021890 0.00000 MODEL 1 ATOM 1 O5' DG A 1 -4.526 -6.516 16.715 1.00 28.75 O ATOM 2 C5' DG A 1 -4.145 -7.575 17.596 1.00 24.72 C ATOM 3 C4' DG A 1 -3.732 -8.801 16.814 1.00 22.44 C ATOM 4 O4' DG A 1 -4.815 -9.185 15.936 1.00 22.80 O ATOM 5 C3' DG A 1 -2.517 -8.629 15.900 1.00 20.50 C ATOM 6 O3' DG A 1 -1.297 -8.897 16.609 1.00 22.02 O ATOM 7 C2' DG A 1 -2.773 -9.672 14.824 1.00 18.29 C ATOM 8 C1' DG A 1 -4.298 -9.643 14.681 1.00 19.23 C ATOM 9 N9 DG A 1 -4.746 -8.718 13.639 1.00 18.88 N ATOM 10 C8 DG A 1 -5.478 -7.560 13.792 1.00 22.49 C ATOM 11 N7 DG A 1 -5.717 -6.948 12.655 1.00 23.74 N ATOM 12 C5 DG A 1 -5.104 -7.753 11.698 1.00 18.93 C ATOM 13 C6 DG A 1 -5.033 -7.612 10.273 1.00 18.11 C ATOM 14 O6 DG A 1 -5.520 -6.715 9.564 1.00 17.54 O ATOM 15 N1 DG A 1 -4.313 -8.665 9.683 1.00 13.95 N ATOM 16 C2 DG A 1 -3.763 -9.719 10.370 1.00 14.67 C ATOM 17 N2 DG A 1 -3.148 -10.683 9.634 1.00 16.79 N ATOM 18 N3 DG A 1 -3.817 -9.847 11.705 1.00 16.76 N ATOM 19 C4 DG A 1 -4.497 -8.841 12.289 1.00 18.90 C ATOM 20 P DC A 2 0.051 -8.083 16.257 1.00 23.50 P ATOM 21 OP1 DC A 2 1.059 -8.419 17.306 1.00 25.32 O ATOM 22 OP2 DC A 2 -0.327 -6.654 16.049 1.00 19.83 O ATOM 23 O5' DC A 2 0.533 -8.734 14.893 1.00 20.03 O ATOM 24 C5' DC A 2 0.850 -10.126 14.834 1.00 20.86 C ATOM 25 C4' DC A 2 1.044 -10.541 13.398 1.00 20.43 C ATOM 26 O4' DC A 2 -0.189 -10.293 12.692 1.00 20.78 O ATOM 27 C3' DC A 2 2.088 -9.715 12.665 1.00 19.59 C ATOM 28 O3' DC A 2 3.383 -10.288 12.834 1.00 21.45 O ATOM 29 C2' DC A 2 1.613 -9.773 11.224 1.00 19.28 C ATOM 30 C1' DC A 2 0.090 -9.816 11.379 1.00 17.34 C ATOM 31 N1 DC A 2 -0.576 -8.516 11.213 1.00 15.62 N ATOM 32 C2 DC A 2 -0.837 -8.076 9.915 1.00 17.52 C ATOM 33 O2 DC A 2 -0.454 -8.760 8.981 1.00 15.57 O ATOM 34 N3 DC A 2 -1.492 -6.926 9.718 1.00 15.49 N ATOM 35 C4 DC A 2 -1.893 -6.200 10.754 1.00 19.36 C ATOM 36 N4 DC A 2 -2.586 -5.078 10.483 1.00 16.13 N ATOM 37 C5 DC A 2 -1.617 -6.594 12.104 1.00 16.02 C ATOM 38 C6 DC A 2 -0.954 -7.757 12.284 1.00 19.82 C ATOM 39 P DG A 3 4.696 -9.428 12.478 1.00 20.96 P ATOM 40 OP1 DG A 3 5.802 -10.408 12.764 1.00 22.36 O ATOM 41 OP2 DG A 3 4.751 -8.059 13.105 1.00 22.01 O ATOM 42 O5' DG A 3 4.583 -9.264 10.900 1.00 19.15 O ATOM 43 C5' DG A 3 4.972 -8.043 10.261 1.00 15.52 C ATOM 44 C4' DG A 3 4.525 -8.052 8.819 1.00 17.14 C ATOM 45 O4' DG A 3 3.089 -7.870 8.740 1.00 14.44 O ATOM 46 C3' DG A 3 5.114 -6.902 8.010 1.00 16.01 C ATOM 47 O3' DG A 3 6.409 -7.236 7.495 1.00 15.39 O ATOM 48 C2' DG A 3 4.094 -6.718 6.908 1.00 17.21 C ATOM 49 C1' DG A 3 2.784 -7.047 7.619 1.00 13.85 C ATOM 50 N9 DG A 3 2.042 -5.884 8.102 1.00 15.39 N ATOM 51 C8 DG A 3 1.718 -5.568 9.398 1.00 12.86 C ATOM 52 N7 DG A 3 0.948 -4.504 9.490 1.00 15.30 N ATOM 53 C5 DG A 3 0.777 -4.091 8.179 1.00 14.50 C ATOM 54 C6 DG A 3 0.017 -3.009 7.630 1.00 13.39 C ATOM 55 O6 DG A 3 -0.697 -2.168 8.223 1.00 17.67 O ATOM 56 N1 DG A 3 0.137 -2.954 6.244 1.00 13.66 N ATOM 57 C2 DG A 3 0.896 -3.817 5.481 1.00 12.89 C ATOM 58 N2 DG A 3 0.938 -3.581 4.169 1.00 14.29 N ATOM 59 N3 DG A 3 1.577 -4.832 5.983 1.00 15.31 N ATOM 60 C4 DG A 3 1.473 -4.910 7.313 1.00 15.39 C ATOM 61 P DT A 4 7.453 -6.069 7.108 1.00 16.26 P ATOM 62 OP1 DT A 4 8.737 -6.782 6.716 1.00 19.61 O ATOM 63 OP2 DT A 4 7.472 -5.088 8.203 1.00 15.95 O ATOM 64 O5' DT A 4 6.801 -5.375 5.820 1.00 16.24 O ATOM 65 C5' DT A 4 6.941 -5.905 4.488 1.00 16.02 C ATOM 66 C4' DT A 4 6.573 -4.843 3.473 1.00 17.60 C ATOM 67 O4' DT A 4 5.170 -4.499 3.557 1.00 14.56 O ATOM 68 C3' DT A 4 7.293 -3.527 3.711 1.00 14.27 C ATOM 69 O3' DT A 4 8.591 -3.592 3.117 1.00 17.90 O ATOM 70 C2' DT A 4 6.373 -2.508 3.051 1.00 13.20 C ATOM 71 C1' DT A 4 4.984 -3.095 3.311 1.00 15.54 C ATOM 72 N1 DT A 4 4.341 -2.499 4.497 1.00 13.53 N ATOM 73 C2 DT A 4 3.497 -1.420 4.305 1.00 17.64 C ATOM 74 O2 DT A 4 3.305 -0.903 3.215 1.00 15.59 O ATOM 75 N3 DT A 4 2.904 -0.952 5.453 1.00 11.99 N ATOM 76 C4 DT A 4 3.090 -1.404 6.743 1.00 13.27 C ATOM 77 O4 DT A 4 2.477 -0.903 7.666 1.00 13.67 O ATOM 78 C5 DT A 4 4.026 -2.483 6.882 1.00 12.72 C ATOM 79 C7 DT A 4 4.349 -2.965 8.254 1.00 14.07 C ATOM 80 C6 DT A 4 4.582 -2.990 5.765 1.00 14.86 C ATOM 81 P DA A 5 9.763 -2.713 3.716 1.00 19.88 P ATOM 82 OP1 DA A 5 10.949 -2.905 2.820 1.00 23.47 O ATOM 83 OP2 DA A 5 9.900 -2.948 5.171 1.00 21.11 O ATOM 84 O5' DA A 5 9.221 -1.241 3.462 1.00 18.25 O ATOM 85 C5' DA A 5 9.413 -0.192 4.389 1.00 16.12 C ATOM 86 C4' DA A 5 8.659 1.021 3.902 1.00 16.08 C ATOM 87 O4' DA A 5 7.256 0.719 3.950 1.00 15.98 O ATOM 88 C3' DA A 5 8.805 2.285 4.732 1.00 16.09 C ATOM 89 O3' DA A 5 9.979 3.011 4.368 1.00 17.86 O ATOM 90 C2' DA A 5 7.541 3.044 4.387 1.00 17.00 C ATOM 91 C1' DA A 5 6.520 1.923 4.241 1.00 15.54 C ATOM 92 N9 DA A 5 5.793 1.710 5.490 1.00 14.67 N ATOM 93 C8 DA A 5 5.978 0.735 6.444 1.00 15.27 C ATOM 94 N7 DA A 5 5.164 0.830 7.463 1.00 14.22 N ATOM 95 C5 DA A 5 4.391 1.942 7.164 1.00 12.05 C ATOM 96 C6 DA A 5 3.343 2.577 7.859 1.00 13.57 C ATOM 97 N6 DA A 5 2.917 2.182 9.065 1.00 13.51 N ATOM 98 N1 DA A 5 2.767 3.647 7.264 1.00 13.13 N ATOM 99 C2 DA A 5 3.229 4.064 6.082 1.00 15.11 C ATOM 100 N3 DA A 5 4.229 3.563 5.337 1.00 15.11 N ATOM 101 C4 DA A 5 4.762 2.489 5.950 1.00 14.09 C HETATM 102 P P2T A 6 10.769 3.863 5.483 1.00 18.56 P HETATM 103 OP1 P2T A 6 11.990 4.379 4.759 1.00 21.46 O HETATM 104 OP2 P2T A 6 10.933 3.118 6.733 1.00 18.22 O HETATM 105 O5' P2T A 6 9.822 5.101 5.715 1.00 16.83 O HETATM 106 C5' P2T A 6 9.543 5.981 4.642 1.00 15.91 C HETATM 107 C4' P2T A 6 8.484 6.954 5.038 1.00 18.78 C HETATM 108 O4' P2T A 6 7.219 6.267 5.218 1.00 17.16 O HETATM 109 C1' P2T A 6 6.460 6.928 6.225 1.00 16.00 C HETATM 110 N1 P2T A 6 6.247 5.993 7.343 1.00 13.65 N HETATM 111 C6 P2T A 6 7.101 4.932 7.569 1.00 15.31 C HETATM 112 C2 P2T A 6 5.161 6.224 8.174 1.00 14.34 C HETATM 113 O2 P2T A 6 4.415 7.177 8.032 1.00 16.41 O HETATM 114 N3 P2T A 6 5.004 5.303 9.194 1.00 14.33 N HETATM 115 C4 P2T A 6 5.812 4.227 9.465 1.00 15.12 C HETATM 116 O4 P2T A 6 5.562 3.499 10.405 1.00 16.23 O HETATM 117 C5 P2T A 6 6.942 4.050 8.569 1.00 13.52 C HETATM 118 C5M P2T A 6 7.863 2.897 8.795 1.00 15.31 C HETATM 119 C2' P2T A 6 7.286 8.135 6.675 1.00 16.29 C HETATM 120 O2' P2T A 6 6.971 9.184 5.767 1.00 16.73 O HETATM 121 CB' P2T A 6 5.729 9.824 6.017 1.00 15.99 C HETATM 122 CC' P2T A 6 5.312 10.588 4.760 1.00 21.85 C HETATM 123 CD' P2T A 6 5.133 9.679 3.534 1.00 24.90 C HETATM 124 C3' P2T A 6 8.691 7.646 6.372 1.00 15.11 C HETATM 125 O3' P2T A 6 9.639 8.687 6.312 1.00 16.30 O ATOM 126 P DA A 7 10.512 9.038 7.617 1.00 17.13 P ATOM 127 OP1 DA A 7 11.514 10.038 7.098 1.00 19.89 O ATOM 128 OP2 DA A 7 10.968 7.851 8.335 1.00 16.91 O ATOM 129 O5' DA A 7 9.492 9.804 8.574 1.00 16.12 O ATOM 130 C5' DA A 7 8.980 11.070 8.198 1.00 16.09 C ATOM 131 C4' DA A 7 7.940 11.508 9.196 1.00 12.91 C ATOM 132 O4' DA A 7 6.815 10.607 9.123 1.00 13.89 O ATOM 133 C3' DA A 7 8.379 11.442 10.654 1.00 13.76 C ATOM 134 O3' DA A 7 9.129 12.600 11.034 1.00 16.46 O ATOM 135 C2' DA A 7 7.038 11.360 11.363 1.00 15.76 C ATOM 136 C1' DA A 7 6.229 10.468 10.428 1.00 12.61 C ATOM 137 N9 DA A 7 6.361 9.077 10.854 1.00 12.64 N ATOM 138 C8 DA A 7 7.274 8.130 10.470 1.00 12.36 C ATOM 139 N7 DA A 7 7.156 6.992 11.106 1.00 14.33 N ATOM 140 C5 DA A 7 6.073 7.194 11.949 1.00 12.20 C ATOM 141 C6 DA A 7 5.450 6.373 12.903 1.00 13.65 C ATOM 142 N6 DA A 7 5.806 5.109 13.162 1.00 15.25 N ATOM 143 N1 DA A 7 4.425 6.900 13.600 1.00 13.72 N ATOM 144 C2 DA A 7 4.049 8.161 13.339 1.00 16.14 C ATOM 145 N3 DA A 7 4.552 9.027 12.459 1.00 15.22 N ATOM 146 C4 DA A 7 5.575 8.473 11.799 1.00 13.31 C ATOM 147 P DC A 8 10.194 12.496 12.238 1.00 16.68 P ATOM 148 OP1 DC A 8 10.976 13.783 12.231 1.00 20.86 O ATOM 149 OP2 DC A 8 10.902 11.206 12.231 1.00 16.60 O ATOM 150 O5' DC A 8 9.275 12.464 13.540 1.00 14.96 O ATOM 151 C5' DC A 8 8.441 13.570 13.845 1.00 13.25 C ATOM 152 C4' DC A 8 7.459 13.200 14.930 1.00 12.34 C ATOM 153 O4' DC A 8 6.640 12.099 14.499 1.00 14.57 O ATOM 154 C3' DC A 8 8.044 12.719 16.252 1.00 13.98 C ATOM 155 O3' DC A 8 8.491 13.809 17.051 1.00 14.37 O ATOM 156 C2' DC A 8 6.854 12.001 16.865 1.00 15.00 C ATOM 157 C1' DC A 8 6.242 11.334 15.636 1.00 13.80 C ATOM 158 N1 DC A 8 6.773 9.966 15.476 1.00 13.36 N ATOM 159 C2 DC A 8 6.192 8.952 16.217 1.00 14.96 C ATOM 160 O2 DC A 8 5.254 9.237 16.985 1.00 15.81 O ATOM 161 N3 DC A 8 6.665 7.693 16.100 1.00 15.82 N ATOM 162 C4 DC A 8 7.700 7.431 15.299 1.00 16.35 C ATOM 163 N4 DC A 8 8.145 6.163 15.244 1.00 17.84 N ATOM 164 C5 DC A 8 8.326 8.449 14.529 1.00 15.52 C ATOM 165 C6 DC A 8 7.825 9.696 14.637 1.00 13.46 C ATOM 166 P DG A 9 9.572 13.551 18.220 1.00 14.83 P ATOM 167 OP1 DG A 9 9.916 14.896 18.802 1.00 16.31 O ATOM 168 OP2 DG A 9 10.675 12.670 17.792 1.00 16.46 O ATOM 169 O5' DG A 9 8.780 12.745 19.338 1.00 12.08 O ATOM 170 C5' DG A 9 7.706 13.336 20.069 1.00 12.43 C ATOM 171 C4' DG A 9 7.176 12.351 21.082 1.00 12.75 C ATOM 172 O4' DG A 9 6.561 11.258 20.384 1.00 13.88 O ATOM 173 C3' DG A 9 8.237 11.682 21.947 1.00 12.99 C ATOM 174 O3' DG A 9 8.589 12.491 23.040 1.00 15.65 O ATOM 175 C2' DG A 9 7.513 10.434 22.396 1.00 14.78 C ATOM 176 C1' DG A 9 6.758 10.061 21.132 1.00 13.20 C ATOM 177 N9 DG A 9 7.569 9.150 20.334 1.00 14.86 N ATOM 178 C8 DG A 9 8.307 9.404 19.199 1.00 17.73 C ATOM 179 N7 DG A 9 8.882 8.334 18.716 1.00 16.94 N ATOM 180 C5 DG A 9 8.493 7.319 19.592 1.00 15.77 C ATOM 181 C6 DG A 9 8.776 5.925 19.580 1.00 16.91 C ATOM 182 O6 DG A 9 9.407 5.295 18.747 1.00 16.71 O ATOM 183 N1 DG A 9 8.211 5.273 20.677 1.00 17.26 N ATOM 184 C2 DG A 9 7.456 5.887 21.653 1.00 18.60 C ATOM 185 N2 DG A 9 6.997 5.122 22.677 1.00 16.52 N ATOM 186 N3 DG A 9 7.168 7.173 21.647 1.00 14.51 N ATOM 187 C4 DG A 9 7.713 7.817 20.600 1.00 14.52 C ATOM 188 P DC A 10 10.052 12.355 23.676 1.00 16.36 P ATOM 189 OP1 DC A 10 10.132 13.443 24.698 1.00 21.07 O ATOM 190 OP2 DC A 10 11.087 12.233 22.660 1.00 18.57 O ATOM 191 O5' DC A 10 9.982 10.956 24.443 1.00 12.95 O ATOM 192 C5' DC A 10 9.148 10.760 25.579 1.00 14.54 C ATOM 193 C4' DC A 10 9.301 9.348 26.084 1.00 14.99 C ATOM 194 O4' DC A 10 8.863 8.408 25.074 1.00 13.21 O ATOM 195 C3' DC A 10 10.722 8.919 26.417 1.00 15.22 C ATOM 196 O3' DC A 10 11.105 9.360 27.732 1.00 15.18 O ATOM 197 C2' DC A 10 10.632 7.409 26.307 1.00 14.40 C ATOM 198 C1' DC A 10 9.631 7.207 25.171 1.00 14.76 C ATOM 199 N1 DC A 10 10.278 6.963 23.876 1.00 13.82 N ATOM 200 C2 DC A 10 10.623 5.654 23.554 1.00 13.61 C ATOM 201 O2 DC A 10 10.392 4.754 24.386 1.00 16.97 O ATOM 202 N3 DC A 10 11.211 5.399 22.356 1.00 15.25 N ATOM 203 C4 DC A 10 11.479 6.404 21.520 1.00 17.04 C ATOM 204 N4 DC A 10 12.101 6.114 20.373 1.00 18.20 N ATOM 205 C5 DC A 10 11.135 7.753 21.830 1.00 16.55 C ATOM 206 C6 DC A 10 10.540 7.982 23.003 1.00 15.81 C TER 207 DC A 10 ATOM 208 O5' DG B 11 12.324 -3.886 17.950 1.00 35.42 O ATOM 209 C5' DG B 11 12.604 -4.880 18.936 1.00 30.79 C ATOM 210 C4' DG B 11 12.183 -4.418 20.310 1.00 27.89 C ATOM 211 O4' DG B 11 13.083 -3.382 20.769 1.00 29.18 O ATOM 212 C3' DG B 11 10.796 -3.789 20.362 1.00 26.82 C ATOM 213 O3' DG B 11 9.774 -4.775 20.575 1.00 24.77 O ATOM 214 C2' DG B 11 10.902 -2.844 21.546 1.00 23.98 C ATOM 215 C1' DG B 11 12.361 -2.390 21.491 1.00 24.89 C ATOM 216 N9 DG B 11 12.561 -1.114 20.809 1.00 22.34 N ATOM 217 C8 DG B 11 13.131 -0.912 19.578 1.00 19.85 C ATOM 218 N7 DG B 11 13.184 0.348 19.235 1.00 21.58 N ATOM 219 C5 DG B 11 12.619 1.022 20.316 1.00 21.31 C ATOM 220 C6 DG B 11 12.414 2.423 20.535 1.00 19.55 C ATOM 221 O6 DG B 11 12.738 3.378 19.810 1.00 18.90 O ATOM 222 N1 DG B 11 11.786 2.656 21.750 1.00 16.91 N ATOM 223 C2 DG B 11 11.414 1.677 22.649 1.00 20.90 C ATOM 224 N2 DG B 11 10.806 2.078 23.773 1.00 17.86 N ATOM 225 N3 DG B 11 11.619 0.378 22.456 1.00 20.00 N ATOM 226 C4 DG B 11 12.216 0.131 21.287 1.00 20.42 C ATOM 227 P DC B 12 8.268 -4.461 20.135 1.00 26.36 P ATOM 228 OP1 DC B 12 7.473 -5.699 20.395 1.00 30.32 O ATOM 229 OP2 DC B 12 8.221 -3.828 18.785 1.00 26.80 O ATOM 230 O5' DC B 12 7.771 -3.364 21.185 1.00 25.25 O ATOM 231 C5' DC B 12 7.468 -3.736 22.541 1.00 25.35 C ATOM 232 C4' DC B 12 7.014 -2.524 23.315 1.00 22.87 C ATOM 233 O4' DC B 12 8.090 -1.562 23.317 1.00 21.79 O ATOM 234 C3' DC B 12 5.838 -1.789 22.688 1.00 22.86 C ATOM 235 O3' DC B 12 4.551 -2.384 23.000 1.00 22.91 O ATOM 236 C2' DC B 12 6.038 -0.374 23.202 1.00 20.49 C ATOM 237 C1' DC B 12 7.559 -0.236 23.226 1.00 19.17 C ATOM 238 N1 DC B 12 8.100 0.405 21.996 1.00 19.91 N ATOM 239 C2 DC B 12 8.078 1.798 21.917 1.00 18.09 C ATOM 240 O2 DC B 12 7.593 2.421 22.844 1.00 17.38 O ATOM 241 N3 DC B 12 8.570 2.417 20.825 1.00 16.15 N ATOM 242 C4 DC B 12 9.055 1.701 19.808 1.00 18.52 C ATOM 243 N4 DC B 12 9.543 2.362 18.757 1.00 17.99 N ATOM 244 C5 DC B 12 9.065 0.272 19.834 1.00 17.67 C ATOM 245 C6 DC B 12 8.594 -0.332 20.954 1.00 18.85 C ATOM 246 P DG B 13 3.327 -2.180 21.968 1.00 30.83 P ATOM 247 OP1 DG B 13 2.111 -2.822 22.546 1.00 33.55 O ATOM 248 OP2 DG B 13 3.803 -2.577 20.622 1.00 28.86 O ATOM 249 O5' DG B 13 3.081 -0.606 21.947 1.00 24.94 O ATOM 250 C5' DG B 13 2.575 0.047 23.097 1.00 23.69 C ATOM 251 C4' DG B 13 2.531 1.533 22.868 1.00 24.69 C ATOM 252 O4' DG B 13 3.873 2.010 22.589 1.00 23.16 O ATOM 253 C3' DG B 13 1.750 1.977 21.645 1.00 20.49 C ATOM 254 O3' DG B 13 0.343 1.986 21.829 1.00 19.62 O ATOM 255 C2' DG B 13 2.294 3.383 21.449 1.00 18.27 C ATOM 256 C1' DG B 13 3.763 3.215 21.825 1.00 20.04 C ATOM 257 N9 DG B 13 4.605 3.099 20.635 1.00 20.52 N ATOM 258 C8 DG B 13 5.216 1.979 20.111 1.00 17.75 C ATOM 259 N7 DG B 13 5.864 2.220 18.995 1.00 18.30 N ATOM 260 C5 DG B 13 5.690 3.586 18.783 1.00 17.03 C ATOM 261 C6 DG B 13 6.174 4.438 17.734 1.00 17.71 C ATOM 262 O6 DG B 13 6.864 4.136 16.757 1.00 16.56 O ATOM 263 N1 DG B 13 5.752 5.765 17.921 1.00 16.12 N ATOM 264 C2 DG B 13 4.967 6.202 18.977 1.00 17.22 C ATOM 265 N2 DG B 13 4.614 7.506 18.996 1.00 15.46 N ATOM 266 N3 DG B 13 4.534 5.421 19.948 1.00 17.08 N ATOM 267 C4 DG B 13 4.921 4.142 19.788 1.00 18.90 C ATOM 268 P DT B 14 -0.611 1.877 20.554 1.00 19.62 P ATOM 269 OP1 DT B 14 -2.018 1.738 21.030 1.00 20.83 O ATOM 270 OP2 DT B 14 -0.034 0.910 19.592 1.00 17.12 O ATOM 271 O5' DT B 14 -0.489 3.329 19.908 1.00 18.45 O ATOM 272 C5' DT B 14 -0.939 4.456 20.638 1.00 20.65 C ATOM 273 C4' DT B 14 -0.817 5.692 19.786 1.00 17.35 C ATOM 274 O4' DT B 14 0.591 5.978 19.617 1.00 18.66 O ATOM 275 C3' DT B 14 -1.349 5.559 18.360 1.00 17.87 C ATOM 276 O3' DT B 14 -2.772 5.690 18.258 1.00 16.99 O ATOM 277 C2' DT B 14 -0.595 6.667 17.655 1.00 17.25 C ATOM 278 C1' DT B 14 0.778 6.589 18.332 1.00 15.00 C ATOM 279 N1 DT B 14 1.691 5.744 17.523 1.00 15.09 N ATOM 280 C2 DT B 14 2.352 6.385 16.478 1.00 16.92 C ATOM 281 O2 DT B 14 2.235 7.579 16.240 1.00 16.94 O ATOM 282 N3 DT B 14 3.135 5.569 15.712 1.00 14.88 N ATOM 283 C4 DT B 14 3.315 4.203 15.859 1.00 13.00 C ATOM 284 O4 DT B 14 4.029 3.606 15.081 1.00 14.20 O ATOM 285 C5 DT B 14 2.614 3.600 16.969 1.00 15.33 C ATOM 286 C7 DT B 14 2.763 2.124 17.192 1.00 16.15 C ATOM 287 C6 DT B 14 1.857 4.391 17.748 1.00 16.37 C ATOM 288 P DA B 15 -3.529 5.082 16.992 1.00 21.53 P ATOM 289 OP1 DA B 15 -4.986 5.247 17.271 1.00 24.15 O ATOM 290 OP2 DA B 15 -2.978 3.743 16.681 1.00 21.63 O ATOM 291 O5' DA B 15 -3.082 6.077 15.835 1.00 20.85 O ATOM 292 C5' DA B 15 -3.297 7.479 15.986 1.00 22.43 C ATOM 293 C4' DA B 15 -2.713 8.224 14.809 1.00 17.86 C ATOM 294 O4' DA B 15 -1.283 8.161 14.864 1.00 19.56 O ATOM 295 C3' DA B 15 -3.063 7.666 13.435 1.00 22.12 C ATOM 296 O3' DA B 15 -4.322 8.136 13.009 1.00 21.14 O ATOM 297 C2' DA B 15 -1.931 8.197 12.580 1.00 19.64 C ATOM 298 C1' DA B 15 -0.756 8.128 13.541 1.00 20.34 C ATOM 299 N9 DA B 15 -0.018 6.882 13.404 1.00 17.00 N ATOM 300 C8 DA B 15 -0.110 5.742 14.173 1.00 15.78 C ATOM 301 N7 DA B 15 0.705 4.787 13.797 1.00 15.53 N ATOM 302 C5 DA B 15 1.383 5.347 12.708 1.00 14.97 C ATOM 303 C6 DA B 15 2.399 4.861 11.867 1.00 15.35 C ATOM 304 N6 DA B 15 2.975 3.670 12.008 1.00 14.86 N ATOM 305 N1 DA B 15 2.817 5.657 10.865 1.00 14.66 N ATOM 306 C2 DA B 15 2.281 6.870 10.726 1.00 13.90 C ATOM 307 N3 DA B 15 1.337 7.459 11.465 1.00 17.74 N ATOM 308 C4 DA B 15 0.930 6.626 12.450 1.00 16.64 C HETATM 309 P P2T B 16 -5.146 7.308 11.921 1.00 21.07 P HETATM 310 OP1 P2T B 16 -6.517 7.909 11.877 1.00 25.46 O HETATM 311 OP2 P2T B 16 -5.003 5.838 12.141 1.00 22.45 O HETATM 312 O5' P2T B 16 -4.406 7.600 10.543 1.00 22.09 O HETATM 313 C5' P2T B 16 -4.399 8.900 9.972 1.00 19.76 C HETATM 314 C4' P2T B 16 -3.543 8.921 8.736 1.00 18.09 C HETATM 315 O4' P2T B 16 -2.143 8.721 9.094 1.00 17.66 O HETATM 316 C1' P2T B 16 -1.487 8.044 8.034 1.00 16.89 C HETATM 317 N1 P2T B 16 -1.018 6.757 8.550 1.00 14.53 N HETATM 318 C6 P2T B 16 -1.629 6.150 9.618 1.00 14.70 C HETATM 319 C2 P2T B 16 0.046 6.187 7.915 1.00 16.78 C HETATM 320 O2 P2T B 16 0.585 6.719 6.950 1.00 18.27 O HETATM 321 N3 P2T B 16 0.449 4.976 8.442 1.00 15.46 N HETATM 322 C4 P2T B 16 -0.110 4.314 9.525 1.00 18.17 C HETATM 323 O4 P2T B 16 0.354 3.259 9.922 1.00 16.56 O HETATM 324 C5 P2T B 16 -1.243 4.976 10.134 1.00 16.28 C HETATM 325 C5M P2T B 16 -1.912 4.334 11.309 1.00 17.37 C HETATM 326 C2' P2T B 16 -2.511 7.852 6.916 1.00 19.10 C HETATM 327 O2' P2T B 16 -2.476 9.054 6.165 1.00 18.96 O HETATM 328 CB' P2T B 16 -1.310 9.192 5.353 1.00 18.48 C HETATM 329 CC' P2T B 16 -1.572 10.310 4.348 1.00 23.26 C HETATM 330 CD' P2T B 16 -2.825 10.013 3.517 1.00 29.16 C HETATM 331 C3' P2T B 16 -3.812 7.841 7.706 1.00 18.11 C HETATM 332 O3' P2T B 16 -4.938 8.103 6.890 1.00 21.34 O ATOM 333 P DA B 17 -5.820 6.877 6.334 1.00 22.26 P ATOM 334 OP1 DA B 17 -7.020 7.478 5.682 1.00 26.21 O ATOM 335 OP2 DA B 17 -5.992 5.838 7.375 1.00 20.71 O ATOM 336 O5' DA B 17 -4.945 6.235 5.164 1.00 21.37 O ATOM 337 C5' DA B 17 -4.710 6.976 3.964 1.00 20.78 C ATOM 338 C4' DA B 17 -3.671 6.298 3.104 1.00 18.36 C ATOM 339 O4' DA B 17 -2.417 6.244 3.809 1.00 22.07 O ATOM 340 C3' DA B 17 -3.949 4.853 2.731 1.00 21.43 C ATOM 341 O3' DA B 17 -4.874 4.739 1.650 1.00 19.64 O ATOM 342 C2' DA B 17 -2.565 4.356 2.367 1.00 20.77 C ATOM 343 C1' DA B 17 -1.690 5.089 3.378 1.00 18.39 C ATOM 344 N9 DA B 17 -1.463 4.241 4.538 1.00 17.18 N ATOM 345 C8 DA B 17 -2.151 4.169 5.722 1.00 17.80 C ATOM 346 N7 DA B 17 -1.695 3.248 6.543 1.00 17.54 N ATOM 347 C5 DA B 17 -0.633 2.687 5.852 1.00 15.49 C ATOM 348 C6 DA B 17 0.267 1.666 6.183 1.00 14.05 C ATOM 349 N6 DA B 17 0.258 1.031 7.358 1.00 14.70 N ATOM 350 N1 DA B 17 1.193 1.327 5.262 1.00 13.95 N ATOM 351 C2 DA B 17 1.215 1.988 4.095 1.00 13.81 C ATOM 352 N3 DA B 17 0.427 2.988 3.678 1.00 18.22 N ATOM 353 C4 DA B 17 -0.481 3.287 4.617 1.00 16.76 C ATOM 354 P DC B 18 -5.946 3.563 1.670 1.00 22.65 P ATOM 355 OP1 DC B 18 -6.893 3.926 0.587 1.00 26.19 O ATOM 356 OP2 DC B 18 -6.457 3.287 3.037 1.00 22.50 O ATOM 357 O5' DC B 18 -5.077 2.288 1.227 1.00 19.68 O ATOM 358 C5' DC B 18 -4.324 2.317 0.014 1.00 19.11 C ATOM 359 C4' DC B 18 -3.267 1.233 0.024 1.00 18.42 C ATOM 360 O4' DC B 18 -2.323 1.488 1.083 1.00 17.94 O ATOM 361 C3' DC B 18 -3.739 -0.191 0.275 1.00 22.27 C ATOM 362 O3' DC B 18 -4.186 -0.797 -0.929 1.00 18.90 O ATOM 363 C2' DC B 18 -2.466 -0.861 0.754 1.00 16.73 C ATOM 364 C1' DC B 18 -1.768 0.242 1.542 1.00 14.35 C ATOM 365 N1 DC B 18 -2.034 0.100 2.985 1.00 16.49 N ATOM 366 C2 DC B 18 -1.221 -0.763 3.699 1.00 15.23 C ATOM 367 O2 DC B 18 -0.291 -1.318 3.088 1.00 17.34 O ATOM 368 N3 DC B 18 -1.461 -0.982 5.025 1.00 14.61 N ATOM 369 C4 DC B 18 -2.478 -0.350 5.622 1.00 16.62 C ATOM 370 N4 DC B 18 -2.700 -0.603 6.911 1.00 16.52 N ATOM 371 C5 DC B 18 -3.320 0.559 4.912 1.00 16.34 C ATOM 372 C6 DC B 18 -3.065 0.757 3.607 1.00 17.88 C ATOM 373 P DG B 19 -5.116 -2.101 -0.858 1.00 23.87 P ATOM 374 OP1 DG B 19 -5.465 -2.371 -2.263 1.00 26.70 O ATOM 375 OP2 DG B 19 -6.145 -1.961 0.137 1.00 23.73 O ATOM 376 O5' DG B 19 -4.186 -3.268 -0.290 1.00 20.95 O ATOM 377 C5' DG B 19 -3.145 -3.814 -1.063 1.00 18.39 C ATOM 378 C4' DG B 19 -2.311 -4.755 -0.221 1.00 15.64 C ATOM 379 O4' DG B 19 -1.858 -4.048 0.955 1.00 16.13 O ATOM 380 C3' DG B 19 -2.923 -6.037 0.344 1.00 16.12 C ATOM 381 O3' DG B 19 -2.912 -7.095 -0.620 1.00 17.57 O ATOM 382 C2' DG B 19 -1.950 -6.375 1.450 1.00 14.60 C ATOM 383 C1' DG B 19 -1.547 -5.011 1.969 1.00 15.36 C ATOM 384 N9 DG B 19 -2.252 -4.650 3.195 1.00 15.18 N ATOM 385 C8 DG B 19 -3.178 -3.652 3.393 1.00 15.81 C ATOM 386 N7 DG B 19 -3.525 -3.526 4.647 1.00 15.41 N ATOM 387 C5 DG B 19 -2.815 -4.520 5.310 1.00 15.91 C ATOM 388 C6 DG B 19 -2.770 -4.885 6.693 1.00 15.52 C ATOM 389 O6 DG B 19 -3.336 -4.358 7.663 1.00 17.33 O ATOM 390 N1 DG B 19 -1.957 -5.983 6.906 1.00 16.27 N ATOM 391 C2 DG B 19 -1.253 -6.640 5.937 1.00 14.66 C ATOM 392 N2 DG B 19 -0.547 -7.696 6.338 1.00 15.45 N ATOM 393 N3 DG B 19 -1.255 -6.291 4.661 1.00 15.19 N ATOM 394 C4 DG B 19 -2.049 -5.240 4.422 1.00 15.46 C ATOM 395 P DC B 20 -3.945 -8.312 -0.481 1.00 18.00 P ATOM 396 OP1 DC B 20 -3.793 -9.098 -1.716 1.00 18.96 O ATOM 397 OP2 DC B 20 -5.264 -7.838 -0.076 1.00 16.53 O ATOM 398 O5' DC B 20 -3.415 -9.188 0.746 1.00 16.39 O ATOM 399 C5' DC B 20 -2.222 -9.980 0.653 1.00 16.56 C ATOM 400 C4' DC B 20 -2.018 -10.729 1.948 1.00 17.03 C ATOM 401 O4' DC B 20 -1.830 -9.789 3.033 1.00 18.32 O ATOM 402 C3' DC B 20 -3.215 -11.572 2.382 1.00 15.42 C ATOM 403 O3' DC B 20 -3.155 -12.912 1.851 1.00 18.78 O ATOM 404 C2' DC B 20 -3.027 -11.669 3.881 1.00 17.01 C ATOM 405 C1' DC B 20 -2.361 -10.346 4.239 1.00 16.20 C ATOM 406 N1 DC B 20 -3.274 -9.367 4.836 1.00 14.33 N ATOM 407 C2 DC B 20 -3.460 -9.416 6.206 1.00 11.49 C ATOM 408 O2 DC B 20 -2.914 -10.335 6.843 1.00 14.03 O ATOM 409 N3 DC B 20 -4.231 -8.485 6.804 1.00 13.07 N ATOM 410 C4 DC B 20 -4.819 -7.540 6.073 1.00 14.68 C ATOM 411 N4 DC B 20 -5.544 -6.605 6.723 1.00 15.29 N ATOM 412 C5 DC B 20 -4.689 -7.494 4.656 1.00 15.54 C ATOM 413 C6 DC B 20 -3.909 -8.422 4.083 1.00 12.60 C TER 414 DC B 20 HETATM 415 O HOH A 101 11.729 12.022 27.714 1.00 15.23 O HETATM 416 O HOH A 102 9.186 5.117 11.112 1.00 19.65 O HETATM 417 O HOH A 103 10.839 5.149 8.923 1.00 17.72 O HETATM 418 O HOH A 106 4.936 5.044 3.000 1.00 21.78 O HETATM 419 O HOH A 107 0.615 -11.211 8.389 1.00 21.48 O HETATM 420 O HOH A 108 7.976 -2.456 7.165 1.00 20.19 O HETATM 421 O HOH A 109 3.422 9.519 8.271 1.00 25.11 O HETATM 422 O HOH A 110 10.888 8.213 16.646 1.00 25.13 O HETATM 423 O HOH A 111 3.062 -6.008 12.553 1.00 24.21 O HETATM 424 O HOH A 112 5.767 7.644 24.047 1.00 20.76 O HETATM 425 O HOH A 113 11.747 11.028 20.128 1.00 21.84 O HETATM 426 O HOH A 114 10.637 5.901 13.448 1.00 21.22 O HETATM 427 O HOH A 115 12.681 8.446 18.783 1.00 24.64 O HETATM 428 O HOH A 119 6.313 1.363 12.181 1.00 22.92 O HETATM 429 O HOH A 120 11.644 10.006 14.695 1.00 23.00 O HETATM 430 O HOH A 121 12.703 13.587 25.668 1.00 22.53 O HETATM 431 O HOH A 122 11.199 5.240 16.779 1.00 24.97 O HETATM 432 O HOH A 123 7.266 6.174 1.622 1.00 29.22 O HETATM 433 O HOH A 124 7.105 -4.717 10.749 1.00 29.16 O HETATM 434 O HOH A 125 10.946 0.750 7.713 1.00 32.05 O HETATM 435 O HOH A 127 6.086 -0.340 10.105 1.00 30.39 O HETATM 436 O HOH A 128 11.175 -5.399 1.549 1.00 33.17 O HETATM 437 O HOH A 129 12.742 -0.556 2.547 1.00 27.75 O HETATM 438 O HOH A 130 8.275 3.208 12.789 1.00 26.90 O HETATM 439 O HOH A 131 4.250 -3.747 11.756 1.00 32.76 O HETATM 440 O HOH A 135 12.900 14.107 21.763 1.00 25.95 O HETATM 441 O HOH A 142 1.262 -5.037 14.358 1.00 27.56 O HETATM 442 O HOH A 143 11.294 8.471 11.186 1.00 28.16 O HETATM 443 O HOH A 146 -3.037 -1.917 10.098 1.00 29.92 O HETATM 444 O HOH A 147 1.791 10.137 5.803 1.00 28.99 O HETATM 445 O HOH A 148 5.577 9.537 26.451 1.00 28.63 O HETATM 446 O HOH A 150 14.996 11.384 17.391 1.00 36.47 O HETATM 447 O HOH A 156 9.458 10.729 29.869 1.00 35.99 O HETATM 448 O HOH A 158 13.536 6.865 5.221 1.00 35.85 O HETATM 449 O HOH A 159 0.094 -3.355 12.048 1.00 29.79 O HETATM 450 O HOH A 160 2.195 -1.163 10.595 1.00 35.23 O HETATM 451 O HOH A 161 7.224 -6.820 12.724 1.00 34.61 O HETATM 452 O HOH A 163 8.812 -0.428 8.643 1.00 32.30 O HETATM 453 O HOH A 164 2.158 11.981 3.358 1.00 30.73 O HETATM 454 O HOH A 165 -0.168 -8.775 19.642 1.00 36.44 O HETATM 455 O HOH A 166 -9.234 -7.665 14.915 1.00 42.19 O HETATM 456 O HOH A 168 -1.967 -4.986 15.664 1.00 34.87 O HETATM 457 O HOH A 170 12.135 -1.618 6.914 1.00 37.02 O HETATM 458 O HOH A 173 8.985 10.542 3.928 1.00 32.24 O HETATM 459 O HOH A 174 12.713 14.413 9.925 1.00 38.24 O HETATM 460 O HOH A 175 12.399 11.961 16.187 1.00 38.85 O HETATM 461 O HOH A 176 11.493 -3.586 9.585 1.00 44.20 O HETATM 462 O AHOH A 177 14.592 9.086 7.095 0.50 28.12 O HETATM 463 O BHOH A 177 16.382 9.263 7.893 0.50 24.38 O HETATM 464 O HOH A 179 13.487 4.378 2.082 1.00 42.40 O HETATM 465 O HOH A 182 12.279 14.592 14.496 1.00 39.79 O HETATM 466 O AHOH A 185 13.404 7.059 10.928 0.70 34.22 O HETATM 467 O BHOH A 185 13.892 6.604 9.012 0.30 27.51 O HETATM 468 O AHOH A 187 1.756 -9.347 21.650 0.60 28.94 O HETATM 469 O BHOH A 187 3.070 -10.115 21.519 0.40 25.68 O HETATM 470 O HOH A 188 14.576 10.592 11.600 1.00 40.31 O HETATM 471 O HOH A 194 11.121 -6.196 5.527 1.00 35.14 O HETATM 472 O HOH A 195 11.944 2.901 12.869 0.50 30.65 O HETATM 473 O HOH A 197 7.954 8.425 1.578 0.50 28.90 O HETATM 474 O HOH A 200 -2.893 -3.431 13.023 1.00 34.16 O HETATM 475 O HOH A 201 8.800 -9.657 8.593 0.50 27.24 O HETATM 476 O AHOH A 203 7.268 11.367 29.130 0.50 26.03 O HETATM 477 O BHOH A 203 6.539 9.689 28.505 0.50 24.77 O HETATM 478 O HOH A 204 2.516 -6.771 21.569 0.50 29.17 O HETATM 479 O HOH A 205 -7.586 -9.120 16.429 1.00 33.56 O HETATM 480 O AHOH A 211 10.959 16.025 21.090 0.30 18.22 O HETATM 481 O BHOH A 211 -2.429 4.773 24.611 0.70 32.59 O HETATM 482 O HOH B 104 1.360 10.021 15.990 1.00 18.12 O HETATM 483 O HOH B 105 -3.342 2.420 8.631 1.00 19.81 O HETATM 484 O HOH B 116 5.181 1.360 14.732 1.00 26.67 O HETATM 485 O HOH B 117 -5.179 4.413 9.554 1.00 24.33 O HETATM 486 O HOH B 118 -5.756 -2.295 5.492 1.00 23.53 O HETATM 487 O HOH B 126 -5.744 -10.631 -2.792 1.00 26.82 O HETATM 488 O HOH B 132 6.692 0.427 16.912 1.00 29.43 O HETATM 489 O HOH B 133 -4.694 11.173 5.966 1.00 31.03 O HETATM 490 O HOH B 134 -6.844 11.492 7.617 1.00 35.84 O HETATM 491 O HOH B 136 -0.964 1.629 16.882 1.00 25.22 O HETATM 492 O HOH B 137 0.296 2.062 14.575 1.00 28.52 O HETATM 493 O HOH B 138 1.243 9.878 10.125 1.00 30.30 O HETATM 494 O AHOH B 139 -0.352 0.996 11.351 0.60 26.28 O HETATM 495 O BHOH B 139 -2.211 0.560 10.353 0.40 29.62 O HETATM 496 O HOH B 140 -5.946 3.192 5.734 1.00 30.77 O HETATM 497 O AHOH B 141 9.127 2.780 15.406 0.70 27.09 O HETATM 498 O BHOH B 141 11.406 3.253 15.280 0.30 23.82 O HETATM 499 O HOH B 144 -6.947 10.686 12.216 1.00 32.10 O HETATM 500 O HOH B 145 1.473 4.849 1.564 1.00 32.86 O HETATM 501 O HOH B 149 -3.566 13.559 5.333 1.00 31.44 O HETATM 502 O HOH B 151 -3.414 -12.829 -0.737 1.00 35.06 O HETATM 503 O HOH B 152 3.669 6.383 22.482 1.00 31.79 O HETATM 504 O HOH B 153 1.493 -1.382 18.494 1.00 33.53 O HETATM 505 O HOH B 154 -8.653 6.536 3.901 0.50 25.87 O HETATM 506 O HOH B 155 -8.805 7.244 1.795 0.50 27.61 O HETATM 507 O HOH B 157 -7.951 -1.272 -3.135 1.00 33.14 O HETATM 508 O HOH B 162 -5.426 -2.897 8.353 1.00 37.45 O HETATM 509 O HOH B 167 5.798 -1.974 18.237 1.00 35.25 O HETATM 510 O AHOH B 169 -8.007 0.009 0.850 0.50 22.20 O HETATM 511 O BHOH B 169 -8.702 1.835 -0.218 0.50 30.61 O HETATM 512 O HOH B 171 -4.696 14.996 6.904 1.00 35.77 O HETATM 513 O HOH B 172 -3.154 -4.831 -4.197 1.00 37.16 O HETATM 514 O HOH B 178 -8.923 4.067 3.970 0.50 26.66 O HETATM 515 O HOH B 180 2.764 0.727 13.407 1.00 33.18 O HETATM 516 O HOH B 181 3.396 -5.168 17.429 0.50 32.58 O HETATM 517 O HOH B 183 5.405 -3.745 15.838 0.50 34.13 O HETATM 518 O HOH B 184 -5.627 8.798 1.305 1.00 35.48 O HETATM 519 O HOH B 186 -9.135 -4.920 8.402 1.00 33.92 O HETATM 520 O HOH B 189 -3.118 -7.755 -4.324 1.00 39.22 O HETATM 521 O HOH B 190 -7.749 7.180 14.897 1.00 41.47 O HETATM 522 O HOH B 191 -8.387 7.826 10.088 1.00 37.61 O HETATM 523 O HOH B 192 -6.922 2.482 11.141 1.00 36.21 O HETATM 524 O HOH B 193 13.503 3.948 17.265 1.00 40.76 O HETATM 525 O HOH B 196 -0.869 -1.297 15.528 1.00 45.52 O HETATM 526 O HOH B 198 1.882 7.247 4.450 1.00 38.00 O HETATM 527 O HOH B 199 -2.159 -11.188 -2.802 0.50 25.75 O HETATM 528 O HOH B 202 -5.560 0.004 8.099 1.00 39.69 O HETATM 529 O HOH B 206 10.082 0.270 16.296 1.00 41.26 O HETATM 530 O AHOH B 207 -7.257 -4.827 5.451 0.70 30.45 O HETATM 531 O BHOH B 207 -9.463 -5.182 5.611 0.30 17.64 O HETATM 532 O HOH B 208 5.121 -5.877 20.275 0.50 33.01 O HETATM 533 O HOH B 209 -5.473 3.688 13.291 0.50 31.11 O HETATM 534 O HOH B 210 -4.933 7.715 20.656 1.00 27.71 O HETATM 535 O HOH B 212 -2.589 2.042 23.829 1.00 38.16 O HETATM 536 O HOH B 213 -11.117 -3.227 4.784 0.50 28.74 O HETATM 537 O HOH B 214 -5.280 6.382 23.287 1.00 35.93 O HETATM 538 O HOH B 215 -4.791 4.622 21.214 1.00 39.30 O HETATM 539 O HOH B 216 -2.617 6.739 22.558 1.00 29.42 O HETATM 540 O HOH B 217 -8.728 5.710 11.035 0.50 33.23 O HETATM 541 O HOH B 218 -6.112 -5.594 2.504 1.00 32.77 O HETATM 542 O HOH B 219 -6.893 -3.389 2.209 1.00 42.31 O ENDMDL MASTER 0 0 0 0 0 0 0 6 540 2 0 2 END