HEADER DNA/RNA 05-DEC-94 XXXX TITLE CRYSTAL STRUCTURE OF THE HIGHLY DISTORTED CHIMERIC DECAMER TITLE 2 R(C)D(CGGCGCCG)R(G)-SPERMINE COMPLEX-SPERMINE BINDING TO TITLE 3 PHOSPHATE ONLY AND MINOR GROOVE TERTIARY BASE-PAIRING COMPND 5'-R(*CP*)-D(*CP*GP*GP*CP*GP*CP*CP*GP*)-R(*G)-3' KEYWDS A-DNA/RNA, DOUBLE HELIX EXPDTA X-RAY DIFFRACTION AUTHOR C.BAN, B.RAMAKRISHNAN, M.SUNDARALINGAM JRNL AUTH C.BAN, B.RAMAKRISHNAN, M.SUNDARALINGAM JRNL TITL CRYSTAL STRUCTURE OF THE HIGHLY DISTORTED CHIMERIC JRNL TITL 2 DECAMER R(C)D(CGGCGCCG)R(G).SPERMINE JRNL TITL 3 COMPLEX--SPERMINE BINDING TO PHOSPHATE ONLY AND JRNL TITL 4 MINOR GROOVE TERTIARY BASE-PAIRING. JRNL REF NUCLEIC ACIDS RES. V. 22 5466 1994 JRNL REFN ASTM NARHAD UK ISSN 0305-1048 REMARK 1 SEQRES 1 A 10 C DC DG DG DC DG DC DC DG G SEQRES 1 B 10 C DC DG DG DC DG DC DC DG G HETNAM SPM SPERMINE FORMUL 3 SPM C10 H26 N4 FORMUL 4 HOH *67(H2 O) CRYST1 23.980 40.770 44.840 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 0.041701 0.000000 0.000000 0.00000 SCALE2 0.000000 0.024528 0.000000 0.00000 SCALE3 0.000000 0.000000 0.022302 0.00000 ATOM 1 N1 C A 1 -4.931 6.902 7.826 1.00 19.25 N ATOM 2 C2 C A 1 -4.838 7.263 9.158 1.00 16.72 C ATOM 3 O2 C A 1 -4.287 8.308 9.505 1.00 15.49 O ATOM 4 N3 C A 1 -5.367 6.448 10.085 1.00 15.96 N ATOM 5 C4 C A 1 -5.978 5.310 9.736 1.00 16.84 C ATOM 6 N4 C A 1 -6.592 4.588 10.676 1.00 19.14 N ATOM 7 C5 C A 1 -6.059 4.907 8.376 1.00 17.68 C ATOM 8 C6 C A 1 -5.522 5.732 7.461 1.00 17.68 C ATOM 9 O5' C A 1 -4.549 5.095 4.262 1.00 28.71 O ATOM 10 C5' C A 1 -4.176 6.323 3.646 1.00 27.35 C ATOM 11 C4' C A 1 -3.853 7.410 4.672 1.00 24.41 C ATOM 12 O4' C A 1 -4.992 7.650 5.512 1.00 22.53 O ATOM 13 C3' C A 1 -2.713 7.010 5.605 1.00 23.56 C ATOM 14 O3' C A 1 -1.379 7.127 5.060 1.00 21.02 O ATOM 15 C2' C A 1 -2.950 7.949 6.756 1.00 23.73 C ATOM 16 O2' C A 1 -2.407 9.267 6.554 1.00 23.93 O ATOM 17 C1' C A 1 -4.489 7.917 6.825 1.00 20.60 C ATOM 18 P DC A 2 -0.178 6.220 5.647 1.00 24.85 P ATOM 19 N1 DC A 2 -1.070 6.635 10.823 1.00 14.48 N ATOM 20 C2 DC A 2 -1.417 6.355 12.130 1.00 13.03 C ATOM 21 O2 DC A 2 -1.007 7.022 13.094 1.00 11.15 O ATOM 22 N3 DC A 2 -2.233 5.297 12.333 1.00 11.95 N ATOM 23 C4 DC A 2 -2.681 4.542 11.344 1.00 11.37 C ATOM 24 N4 DC A 2 -3.532 3.569 11.652 1.00 11.93 N ATOM 25 C5 DC A 2 -2.314 4.796 9.986 1.00 11.95 C ATOM 26 C6 DC A 2 -1.510 5.853 9.776 1.00 11.94 C ATOM 27 OP1 DC A 2 0.915 6.451 4.671 1.00 25.96 O ATOM 28 OP2 DC A 2 -0.948 4.954 5.664 1.00 24.57 O ATOM 29 O5' DC A 2 0.435 6.502 7.097 1.00 24.10 O ATOM 30 C5' DC A 2 1.020 7.793 7.281 1.00 19.66 C ATOM 31 C4' DC A 2 1.034 8.184 8.738 1.00 17.99 C ATOM 32 O4' DC A 2 -0.290 8.244 9.222 1.00 17.23 O ATOM 33 C3' DC A 2 1.724 7.167 9.617 1.00 18.98 C ATOM 34 O3' DC A 2 3.130 7.395 9.564 1.00 18.39 O ATOM 35 C2' DC A 2 1.152 7.607 10.934 1.00 17.33 C ATOM 36 C1' DC A 2 -0.273 7.853 10.599 1.00 15.44 C ATOM 37 P DG A 3 4.177 6.440 10.285 1.00 21.10 P ATOM 38 N9 DG A 3 1.615 4.437 14.168 1.00 11.63 N ATOM 39 C8 DG A 3 1.389 4.110 12.865 1.00 10.83 C ATOM 40 N7 DG A 3 0.474 3.204 12.690 1.00 12.03 N ATOM 41 C5 DG A 3 0.093 2.891 13.972 1.00 9.28 C ATOM 42 C6 DG A 3 -0.792 1.917 14.408 1.00 6.67 C ATOM 43 O6 DG A 3 -1.528 1.253 13.693 1.00 11.90 O ATOM 44 N1 DG A 3 -0.833 1.822 15.808 1.00 7.48 N ATOM 45 C2 DG A 3 -0.098 2.583 16.686 1.00 7.12 C ATOM 46 N2 DG A 3 -0.228 2.346 17.999 1.00 2.92 N ATOM 47 N3 DG A 3 0.745 3.531 16.259 1.00 7.08 N ATOM 48 C4 DG A 3 0.788 3.626 14.894 1.00 12.36 C ATOM 49 OP1 DG A 3 5.469 7.004 9.830 1.00 21.52 O ATOM 50 OP2 DG A 3 3.681 5.183 9.686 1.00 14.50 O ATOM 51 O5' DG A 3 4.378 6.142 11.832 1.00 19.95 O ATOM 52 C5' DG A 3 4.654 7.213 12.730 1.00 17.61 C ATOM 53 C4' DG A 3 4.016 6.885 14.035 1.00 17.62 C ATOM 54 O4' DG A 3 2.614 6.626 13.799 1.00 16.77 O ATOM 55 C3' DG A 3 4.595 5.586 14.598 1.00 16.31 C ATOM 56 O3' DG A 3 5.774 5.836 15.353 1.00 18.86 O ATOM 57 C2' DG A 3 3.484 5.274 15.528 1.00 17.71 C ATOM 58 C1' DG A 3 2.243 5.627 14.740 1.00 16.27 C ATOM 59 P DG A 4 6.647 4.633 15.976 1.00 19.10 P ATOM 60 N9 DG A 4 3.496 1.232 18.319 1.00 11.82 N ATOM 61 C8 DG A 4 3.617 1.742 17.054 1.00 8.09 C ATOM 62 N7 DG A 4 2.902 1.118 16.167 1.00 11.07 N ATOM 63 C5 DG A 4 2.252 0.091 16.894 1.00 11.16 C ATOM 64 C6 DG A 4 1.310 -0.920 16.456 1.00 9.75 C ATOM 65 O6 DG A 4 0.888 -1.151 15.321 1.00 9.97 O ATOM 66 N1 DG A 4 0.906 -1.749 17.502 1.00 8.27 N ATOM 67 C2 DG A 4 1.340 -1.630 18.818 1.00 8.31 C ATOM 68 N2 DG A 4 0.852 -2.494 19.717 1.00 6.42 N ATOM 69 N3 DG A 4 2.218 -0.681 19.223 1.00 9.10 N ATOM 70 C4 DG A 4 2.629 0.144 18.209 1.00 10.34 C ATOM 71 OP1 DG A 4 7.834 5.387 16.410 1.00 21.78 O ATOM 72 OP2 DG A 4 6.811 3.466 15.083 1.00 20.41 O ATOM 73 O5' DG A 4 5.837 4.160 17.304 1.00 19.69 O ATOM 74 C5' DG A 4 5.832 4.777 18.613 1.00 14.70 C ATOM 75 C4' DG A 4 5.349 3.746 19.615 1.00 15.74 C ATOM 76 O4' DG A 4 4.014 3.339 19.320 1.00 15.71 O ATOM 77 C3' DG A 4 6.144 2.446 19.549 1.00 14.86 C ATOM 78 O3' DG A 4 7.442 2.553 20.185 1.00 20.22 O ATOM 79 C2' DG A 4 5.194 1.467 20.191 1.00 13.42 C ATOM 80 C1' DG A 4 3.886 1.904 19.582 1.00 13.10 C ATOM 81 P DC A 5 8.623 1.481 19.918 1.00 16.11 P ATOM 82 N1 DC A 5 5.142 -2.576 17.527 1.00 12.08 N ATOM 83 C2 DC A 5 4.179 -3.389 16.962 1.00 12.60 C ATOM 84 O2 DC A 5 3.695 -4.327 17.591 1.00 10.69 O ATOM 85 N3 DC A 5 3.792 -3.162 15.680 1.00 10.73 N ATOM 86 C4 DC A 5 4.335 -2.176 14.967 1.00 10.86 C ATOM 87 N4 DC A 5 3.833 -1.904 13.765 1.00 7.57 N ATOM 88 C5 DC A 5 5.346 -1.339 15.528 1.00 12.31 C ATOM 89 C6 DC A 5 5.709 -1.571 16.800 1.00 10.26 C ATOM 90 OP1 DC A 5 9.474 2.225 20.879 1.00 21.84 O ATOM 91 OP2 DC A 5 8.908 1.639 18.468 1.00 19.79 O ATOM 92 O5' DC A 5 8.728 -0.072 20.325 1.00 19.47 O ATOM 93 C5' DC A 5 8.554 -1.158 19.407 1.00 15.29 C ATOM 94 C4' DC A 5 7.470 -2.178 19.802 1.00 12.49 C ATOM 95 O4' DC A 5 6.161 -1.717 19.496 1.00 12.55 O ATOM 96 C3' DC A 5 7.697 -3.468 19.046 1.00 11.96 C ATOM 97 O3' DC A 5 8.775 -4.194 19.666 1.00 14.17 O ATOM 98 C2' DC A 5 6.342 -4.056 19.192 1.00 10.58 C ATOM 99 C1' DC A 5 5.464 -2.822 18.946 1.00 10.97 C ATOM 100 P DG A 6 9.797 -5.058 18.800 1.00 14.87 P ATOM 101 N9 DG A 6 5.801 -7.550 16.290 1.00 13.78 N ATOM 102 C8 DG A 6 6.477 -6.339 16.189 1.00 11.32 C ATOM 103 N7 DG A 6 6.114 -5.628 15.161 1.00 11.53 N ATOM 104 C5 DG A 6 5.137 -6.431 14.528 1.00 15.14 C ATOM 105 C6 DG A 6 4.442 -6.239 13.291 1.00 14.51 C ATOM 106 O6 DG A 6 4.382 -5.224 12.595 1.00 15.52 O ATOM 107 N1 DG A 6 3.678 -7.348 12.942 1.00 15.78 N ATOM 108 C2 DG A 6 3.558 -8.503 13.679 1.00 16.04 C ATOM 109 N2 DG A 6 2.732 -9.421 13.210 1.00 15.11 N ATOM 110 N3 DG A 6 4.187 -8.691 14.842 1.00 14.81 N ATOM 111 C4 DG A 6 4.959 -7.617 15.206 1.00 13.90 C ATOM 112 OP1 DG A 6 10.851 -5.532 19.718 1.00 14.32 O ATOM 113 OP2 DG A 6 10.144 -4.575 17.432 1.00 10.67 O ATOM 114 O5' DG A 6 8.762 -6.277 18.626 1.00 15.18 O ATOM 115 C5' DG A 6 8.679 -7.438 19.428 1.00 15.40 C ATOM 116 C4' DG A 6 7.717 -8.446 18.789 1.00 15.34 C ATOM 117 O4' DG A 6 6.431 -7.834 18.520 1.00 16.46 O ATOM 118 C3' DG A 6 8.150 -9.052 17.449 1.00 16.54 C ATOM 119 O3' DG A 6 9.172 -10.043 17.595 1.00 18.58 O ATOM 120 C2' DG A 6 6.796 -9.650 17.066 1.00 17.79 C ATOM 121 C1' DG A 6 5.804 -8.517 17.397 1.00 13.96 C ATOM 122 P DC A 7 10.498 -10.100 16.665 1.00 17.81 P ATOM 123 N1 DC A 7 7.217 -9.334 12.285 1.00 7.65 N ATOM 124 C2 DC A 7 6.458 -8.793 11.230 1.00 10.22 C ATOM 125 O2 DC A 7 5.771 -9.507 10.500 1.00 15.05 O ATOM 126 N3 DC A 7 6.567 -7.461 10.942 1.00 6.65 N ATOM 127 C4 DC A 7 7.403 -6.694 11.658 1.00 5.07 C ATOM 128 N4 DC A 7 7.447 -5.391 11.420 1.00 4.65 N ATOM 129 C5 DC A 7 8.188 -7.242 12.730 1.00 4.20 C ATOM 130 C6 DC A 7 8.053 -8.558 13.000 1.00 6.45 C ATOM 131 OP1 DC A 7 11.307 -11.102 17.394 1.00 17.82 O ATOM 132 OP2 DC A 7 11.084 -8.759 16.374 1.00 20.08 O ATOM 133 O5' DC A 7 9.986 -10.722 15.264 1.00 17.30 O ATOM 134 C5' DC A 7 9.312 -11.986 15.170 1.00 16.36 C ATOM 135 C4' DC A 7 8.436 -12.095 13.916 1.00 15.85 C ATOM 136 O4' DC A 7 7.361 -11.148 13.955 1.00 16.34 O ATOM 137 C3' DC A 7 9.165 -11.823 12.595 1.00 14.83 C ATOM 138 O3' DC A 7 10.003 -12.907 12.161 1.00 16.25 O ATOM 139 C2' DC A 7 7.973 -11.600 11.717 1.00 11.20 C ATOM 140 C1' DC A 7 7.076 -10.772 12.582 1.00 10.61 C ATOM 141 P DC A 8 11.175 -12.651 11.083 1.00 18.77 P ATOM 142 N1 DC A 8 8.297 -9.310 7.883 1.00 6.87 N ATOM 143 C2 DC A 8 7.867 -8.224 7.123 1.00 9.10 C ATOM 144 O2 DC A 8 7.226 -8.387 6.080 1.00 7.86 O ATOM 145 N3 DC A 8 8.296 -6.966 7.459 1.00 7.75 N ATOM 146 C4 DC A 8 9.147 -6.784 8.485 1.00 9.21 C ATOM 147 N4 DC A 8 9.589 -5.560 8.779 1.00 7.67 N ATOM 148 C5 DC A 8 9.609 -7.891 9.258 1.00 7.40 C ATOM 149 C6 DC A 8 9.156 -9.121 8.923 1.00 9.24 C ATOM 150 OP1 DC A 8 11.871 -13.952 10.908 1.00 20.04 O ATOM 151 OP2 DC A 8 12.020 -11.472 11.376 1.00 20.24 O ATOM 152 O5' DC A 8 10.469 -12.357 9.649 1.00 18.79 O ATOM 153 C5' DC A 8 9.733 -13.334 8.924 1.00 12.85 C ATOM 154 C4' DC A 8 8.867 -12.647 7.941 1.00 14.40 C ATOM 155 O4' DC A 8 8.156 -11.587 8.589 1.00 10.91 O ATOM 156 C3' DC A 8 9.598 -11.936 6.845 1.00 14.90 C ATOM 157 O3' DC A 8 10.249 -12.831 5.936 1.00 15.23 O ATOM 158 C2' DC A 8 8.377 -11.232 6.304 1.00 9.34 C ATOM 159 C1' DC A 8 7.789 -10.648 7.568 1.00 8.80 C ATOM 160 P DG A 9 11.518 -12.329 5.128 1.00 14.64 P ATOM 161 N9 DG A 9 9.338 -8.006 2.891 1.00 5.76 N ATOM 162 C8 DG A 9 10.079 -8.162 4.036 1.00 7.27 C ATOM 163 N7 DG A 9 10.578 -7.077 4.541 1.00 5.05 N ATOM 164 C5 DG A 9 10.143 -6.100 3.664 1.00 6.30 C ATOM 165 C6 DG A 9 10.387 -4.694 3.690 1.00 6.32 C ATOM 166 O6 DG A 9 10.988 -4.056 4.538 1.00 8.77 O ATOM 167 N1 DG A 9 9.805 -4.022 2.632 1.00 5.02 N ATOM 168 C2 DG A 9 9.072 -4.651 1.658 1.00 7.22 C ATOM 169 N2 DG A 9 8.590 -3.921 0.680 1.00 5.13 N ATOM 170 N3 DG A 9 8.837 -5.970 1.631 1.00 8.90 N ATOM 171 C4 DG A 9 9.395 -6.649 2.656 1.00 5.39 C ATOM 172 OP1 DG A 9 11.889 -13.707 4.763 1.00 17.77 O ATOM 173 OP2 DG A 9 12.558 -11.435 5.714 1.00 16.33 O ATOM 174 O5' DG A 9 10.890 -11.645 3.793 1.00 13.73 O ATOM 175 C5' DG A 9 10.098 -12.334 2.826 1.00 10.04 C ATOM 176 C4' DG A 9 9.322 -11.365 2.036 1.00 8.60 C ATOM 177 O4' DG A 9 8.636 -10.420 2.864 1.00 9.95 O ATOM 178 C3' DG A 9 10.183 -10.481 1.201 1.00 11.49 C ATOM 179 O3' DG A 9 10.786 -11.138 0.073 1.00 12.29 O ATOM 180 C2' DG A 9 9.103 -9.503 0.858 1.00 7.88 C ATOM 181 C1' DG A 9 8.570 -9.111 2.181 1.00 8.58 C ATOM 182 P G A 10 12.244 -10.723 -0.414 1.00 18.00 P ATOM 183 N9 G A 10 11.582 -5.303 -1.017 1.00 15.40 N ATOM 184 C8 G A 10 12.179 -6.115 -0.061 1.00 15.00 C ATOM 185 N7 G A 10 12.826 -5.480 0.870 1.00 12.61 N ATOM 186 C5 G A 10 12.635 -4.148 0.522 1.00 13.15 C ATOM 187 C6 G A 10 13.133 -2.991 1.159 1.00 11.89 C ATOM 188 O6 G A 10 13.713 -2.965 2.241 1.00 12.64 O ATOM 189 N1 G A 10 12.806 -1.814 0.462 1.00 9.10 N ATOM 190 C2 G A 10 12.079 -1.777 -0.689 1.00 10.96 C ATOM 191 N2 G A 10 11.851 -0.582 -1.197 1.00 11.87 N ATOM 192 N3 G A 10 11.588 -2.874 -1.294 1.00 12.41 N ATOM 193 C4 G A 10 11.899 -4.020 -0.633 1.00 13.44 C ATOM 194 OP1 G A 10 12.221 -11.870 -1.354 1.00 19.65 O ATOM 195 OP2 G A 10 13.525 -10.237 0.168 1.00 21.55 O ATOM 196 O5' G A 10 11.507 -9.424 -1.092 1.00 18.23 O ATOM 197 C5' G A 10 10.721 -9.357 -2.288 1.00 18.20 C ATOM 198 C4' G A 10 10.589 -7.934 -2.878 1.00 17.37 C ATOM 199 O4' G A 10 10.102 -6.968 -1.936 1.00 15.12 O ATOM 200 C3' G A 10 11.859 -7.317 -3.471 1.00 17.88 C ATOM 201 O3' G A 10 12.164 -7.754 -4.846 1.00 16.65 O ATOM 202 C2' G A 10 11.470 -5.841 -3.464 1.00 16.83 C ATOM 203 O2' G A 10 10.607 -5.618 -4.583 1.00 18.75 O ATOM 204 C1' G A 10 10.721 -5.691 -2.168 1.00 15.79 C TER 205 G A 10 ATOM 206 N1 C B 11 13.988 2.735 1.589 1.00 16.99 N ATOM 207 C2 C B 11 13.552 1.541 1.023 1.00 15.65 C ATOM 208 O2 C B 11 12.869 1.532 0.006 1.00 14.94 O ATOM 209 N3 C B 11 13.773 0.359 1.678 1.00 16.15 N ATOM 210 C4 C B 11 14.386 0.347 2.865 1.00 16.53 C ATOM 211 N4 C B 11 14.619 -0.822 3.476 1.00 18.43 N ATOM 212 C5 C B 11 14.816 1.571 3.473 1.00 16.78 C ATOM 213 C6 C B 11 14.597 2.724 2.804 1.00 15.01 C ATOM 214 O5' C B 11 14.526 5.793 4.007 1.00 18.48 O ATOM 215 C5' C B 11 14.531 6.777 2.948 1.00 17.64 C ATOM 216 C4' C B 11 14.028 6.161 1.616 1.00 17.23 C ATOM 217 O4' C B 11 14.808 4.991 1.256 1.00 16.55 O ATOM 218 C3' C B 11 12.611 5.611 1.737 1.00 17.97 C ATOM 219 O3' C B 11 11.508 6.538 1.711 1.00 18.76 O ATOM 220 C2' C B 11 12.546 4.594 0.654 1.00 14.10 C ATOM 221 O2' C B 11 12.366 5.290 -0.579 1.00 13.63 O ATOM 222 C1' C B 11 13.918 3.977 0.766 1.00 14.14 C ATOM 223 P DC B 12 10.233 6.143 2.644 1.00 21.42 P ATOM 224 N1 DC B 12 9.527 0.825 1.326 1.00 15.29 N ATOM 225 C2 DC B 12 9.472 -0.563 1.382 1.00 14.49 C ATOM 226 O2 DC B 12 8.922 -1.257 0.518 1.00 17.30 O ATOM 227 N3 DC B 12 10.055 -1.190 2.418 1.00 11.60 N ATOM 228 C4 DC B 12 10.676 -0.500 3.383 1.00 15.58 C ATOM 229 N4 DC B 12 11.164 -1.186 4.430 1.00 14.28 N ATOM 230 C5 DC B 12 10.760 0.927 3.341 1.00 15.60 C ATOM 231 C6 DC B 12 10.166 1.544 2.298 1.00 15.73 C ATOM 232 OP1 DC B 12 9.634 7.406 2.139 1.00 21.29 O ATOM 233 OP2 DC B 12 10.077 5.869 4.079 1.00 22.13 O ATOM 234 O5' DC B 12 9.636 4.841 1.804 1.00 20.84 O ATOM 235 C5' DC B 12 8.999 5.040 0.519 1.00 19.83 C ATOM 236 C4' DC B 12 8.512 3.757 -0.108 1.00 18.55 C ATOM 237 O4' DC B 12 9.529 2.733 -0.171 1.00 19.79 O ATOM 238 C3' DC B 12 7.498 3.211 0.801 1.00 18.00 C ATOM 239 O3' DC B 12 6.305 3.969 0.629 1.00 19.14 O ATOM 240 C2' DC B 12 7.475 1.788 0.344 1.00 15.87 C ATOM 241 C1' DC B 12 8.913 1.473 0.156 1.00 15.45 C ATOM 242 P DG B 13 4.970 3.543 1.371 1.00 21.52 P ATOM 243 N9 DG B 13 6.185 -2.069 3.050 1.00 9.23 N ATOM 244 C8 DG B 13 6.745 -1.032 3.745 1.00 8.94 C ATOM 245 N7 DG B 13 7.370 -1.389 4.833 1.00 7.30 N ATOM 246 C5 DG B 13 7.209 -2.767 4.877 1.00 8.43 C ATOM 247 C6 DG B 13 7.692 -3.719 5.823 1.00 9.75 C ATOM 248 O6 DG B 13 8.258 -3.536 6.903 1.00 14.29 O ATOM 249 N1 DG B 13 7.361 -5.014 5.443 1.00 5.73 N ATOM 250 C2 DG B 13 6.655 -5.359 4.323 1.00 2.65 C ATOM 251 N2 DG B 13 6.506 -6.654 4.079 1.00 2.15 N ATOM 252 N3 DG B 13 6.190 -4.477 3.470 1.00 2.55 N ATOM 253 C4 DG B 13 6.497 -3.198 3.793 1.00 6.08 C ATOM 254 OP1 DG B 13 4.172 4.637 0.743 1.00 22.41 O ATOM 255 OP2 DG B 13 5.322 3.646 2.816 1.00 21.67 O ATOM 256 O5' DG B 13 4.263 2.118 1.102 1.00 18.28 O ATOM 257 C5' DG B 13 3.977 1.214 2.153 1.00 12.90 C ATOM 258 C4' DG B 13 3.997 -0.166 1.554 1.00 15.74 C ATOM 259 O4' DG B 13 5.326 -0.638 1.288 1.00 15.41 O ATOM 260 C3' DG B 13 3.328 -1.110 2.479 1.00 14.99 C ATOM 261 O3' DG B 13 1.948 -0.901 2.181 1.00 18.56 O ATOM 262 C2' DG B 13 3.943 -2.416 1.990 1.00 14.49 C ATOM 263 C1' DG B 13 5.414 -2.020 1.777 1.00 12.61 C ATOM 264 P DG B 14 0.784 -1.093 3.255 1.00 15.78 P ATOM 265 N9 DG B 14 3.152 -5.336 5.518 1.00 6.83 N ATOM 266 C8 DG B 14 3.420 -4.010 5.692 1.00 4.36 C ATOM 267 N7 DG B 14 4.172 -3.751 6.719 1.00 5.76 N ATOM 268 C5 DG B 14 4.412 -5.012 7.281 1.00 8.36 C ATOM 269 C6 DG B 14 5.175 -5.383 8.425 1.00 10.81 C ATOM 270 O6 DG B 14 5.939 -4.687 9.102 1.00 10.46 O ATOM 271 N1 DG B 14 5.100 -6.738 8.655 1.00 7.70 N ATOM 272 C2 DG B 14 4.415 -7.650 7.890 1.00 6.88 C ATOM 273 N2 DG B 14 4.444 -8.925 8.254 1.00 4.21 N ATOM 274 N3 DG B 14 3.730 -7.316 6.805 1.00 7.97 N ATOM 275 C4 DG B 14 3.774 -5.982 6.566 1.00 7.79 C ATOM 276 OP1 DG B 14 -0.388 -0.771 2.418 1.00 12.44 O ATOM 277 OP2 DG B 14 0.951 -0.425 4.562 1.00 16.99 O ATOM 278 O5' DG B 14 0.825 -2.666 3.590 1.00 12.34 O ATOM 279 C5' DG B 14 0.518 -3.657 2.618 1.00 15.26 C ATOM 280 C4' DG B 14 0.962 -5.042 3.026 1.00 11.81 C ATOM 281 O4' DG B 14 2.388 -5.092 3.261 1.00 14.56 O ATOM 282 C3' DG B 14 0.298 -5.494 4.281 1.00 10.90 C ATOM 283 O3' DG B 14 -1.014 -5.933 3.977 1.00 16.35 O ATOM 284 C2' DG B 14 1.223 -6.607 4.600 1.00 8.75 C ATOM 285 C1' DG B 14 2.583 -6.029 4.341 1.00 8.31 C ATOM 286 P DC B 15 -2.108 -5.846 5.127 1.00 18.17 P ATOM 287 N1 DC B 15 0.594 -8.193 8.784 1.00 10.36 N ATOM 288 C2 DC B 15 1.420 -8.271 9.913 1.00 13.07 C ATOM 289 O2 DC B 15 1.626 -9.323 10.519 1.00 11.62 O ATOM 290 N3 DC B 15 1.985 -7.143 10.391 1.00 9.60 N ATOM 291 C4 DC B 15 1.755 -5.962 9.810 1.00 9.75 C ATOM 292 N4 DC B 15 2.507 -4.945 10.242 1.00 10.36 N ATOM 293 C5 DC B 15 0.883 -5.835 8.681 1.00 8.80 C ATOM 294 C6 DC B 15 0.336 -6.973 8.201 1.00 11.04 C ATOM 295 OP1 DC B 15 -3.198 -6.237 4.195 1.00 23.53 O ATOM 296 OP2 DC B 15 -2.242 -4.630 5.951 1.00 23.09 O ATOM 297 O5' DC B 15 -1.783 -7.100 6.053 1.00 20.88 O ATOM 298 C5' DC B 15 -2.023 -8.439 5.585 1.00 16.99 C ATOM 299 C4' DC B 15 -1.560 -9.527 6.542 1.00 16.47 C ATOM 300 O4' DC B 15 -0.145 -9.414 6.793 1.00 14.34 O ATOM 301 C3' DC B 15 -2.235 -9.419 7.903 1.00 17.63 C ATOM 302 O3' DC B 15 -3.580 -9.983 8.004 1.00 16.81 O ATOM 303 C2' DC B 15 -1.174 -10.022 8.803 1.00 12.88 C ATOM 304 C1' DC B 15 0.116 -9.496 8.210 1.00 14.19 C ATOM 305 P DG B 16 -4.447 -9.204 9.118 1.00 23.27 P ATOM 306 N9 DG B 16 -0.792 -7.342 13.150 1.00 14.23 N ATOM 307 C8 DG B 16 -1.064 -6.617 12.000 1.00 13.86 C ATOM 308 N7 DG B 16 -0.426 -5.487 11.941 1.00 10.67 N ATOM 309 C5 DG B 16 0.313 -5.477 13.124 1.00 13.65 C ATOM 310 C6 DG B 16 1.184 -4.501 13.652 1.00 10.61 C ATOM 311 O6 DG B 16 1.552 -3.475 13.129 1.00 10.52 O ATOM 312 N1 DG B 16 1.683 -4.846 14.894 1.00 14.28 N ATOM 313 C2 DG B 16 1.388 -6.009 15.567 1.00 12.13 C ATOM 314 N2 DG B 16 1.910 -6.217 16.766 1.00 10.28 N ATOM 315 N3 DG B 16 0.578 -6.929 15.063 1.00 15.53 N ATOM 316 C4 DG B 16 0.082 -6.603 13.853 1.00 12.03 C ATOM 317 OP1 DG B 16 -5.486 -10.240 8.913 1.00 22.76 O ATOM 318 OP2 DG B 16 -4.614 -7.887 8.455 1.00 24.12 O ATOM 319 O5' DG B 16 -4.232 -8.798 10.672 1.00 18.16 O ATOM 320 C5' DG B 16 -4.091 -9.850 11.581 1.00 18.35 C ATOM 321 C4' DG B 16 -3.224 -9.555 12.771 1.00 17.50 C ATOM 322 O4' DG B 16 -1.873 -9.267 12.423 1.00 15.59 O ATOM 323 C3' DG B 16 -3.673 -8.498 13.727 1.00 17.67 C ATOM 324 O3' DG B 16 -4.857 -8.945 14.432 1.00 23.53 O ATOM 325 C2' DG B 16 -2.423 -8.573 14.568 1.00 16.53 C ATOM 326 C1' DG B 16 -1.278 -8.659 13.568 1.00 15.43 C ATOM 327 P DC B 17 -6.006 -7.956 15.048 1.00 19.94 P ATOM 328 N1 DC B 17 -2.194 -5.587 17.570 1.00 12.74 N ATOM 329 C2 DC B 17 -1.248 -4.622 17.829 1.00 13.09 C ATOM 330 O2 DC B 17 -0.698 -4.517 18.933 1.00 12.24 O ATOM 331 N3 DC B 17 -0.984 -3.712 16.852 1.00 14.35 N ATOM 332 C4 DC B 17 -1.639 -3.762 15.686 1.00 13.79 C ATOM 333 N4 DC B 17 -1.297 -2.921 14.711 1.00 16.68 N ATOM 334 C5 DC B 17 -2.631 -4.748 15.430 1.00 11.59 C ATOM 335 C6 DC B 17 -2.858 -5.633 16.400 1.00 8.53 C ATOM 336 OP1 DC B 17 -6.749 -9.243 15.142 1.00 18.85 O ATOM 337 OP2 DC B 17 -6.441 -6.892 14.132 1.00 21.49 O ATOM 338 O5' DC B 17 -5.598 -7.385 16.536 1.00 17.70 O ATOM 339 C5' DC B 17 -5.483 -8.267 17.659 1.00 17.29 C ATOM 340 C4' DC B 17 -4.462 -7.850 18.701 1.00 19.19 C ATOM 341 O4' DC B 17 -3.142 -7.783 18.121 1.00 20.08 O ATOM 342 C3' DC B 17 -4.754 -6.460 19.204 1.00 21.26 C ATOM 343 O3' DC B 17 -5.866 -6.375 20.121 1.00 23.03 O ATOM 344 C2' DC B 17 -3.399 -6.104 19.736 1.00 18.88 C ATOM 345 C1' DC B 17 -2.472 -6.604 18.629 1.00 18.39 C ATOM 346 P DC B 18 -7.007 -5.260 19.781 1.00 28.77 P ATOM 347 N1 DC B 18 -3.297 -1.380 18.786 1.00 18.17 N ATOM 348 C2 DC B 18 -2.446 -0.458 18.171 1.00 16.98 C ATOM 349 O2 DC B 18 -1.573 0.166 18.774 1.00 20.32 O ATOM 350 N3 DC B 18 -2.583 -0.258 16.848 1.00 16.82 N ATOM 351 C4 DC B 18 -3.505 -0.931 16.149 1.00 15.76 C ATOM 352 N4 DC B 18 -3.636 -0.665 14.860 1.00 13.34 N ATOM 353 C5 DC B 18 -4.372 -1.893 16.748 1.00 12.67 C ATOM 354 C6 DC B 18 -4.237 -2.080 18.066 1.00 14.81 C ATOM 355 OP1 DC B 18 -8.010 -5.697 20.796 1.00 27.91 O ATOM 356 OP2 DC B 18 -7.417 -4.926 18.375 1.00 24.48 O ATOM 357 O5' DC B 18 -6.346 -3.878 20.355 1.00 26.69 O ATOM 358 C5' DC B 18 -5.876 -3.663 21.675 1.00 22.45 C ATOM 359 C4' DC B 18 -4.868 -2.527 21.660 1.00 20.14 C ATOM 360 O4' DC B 18 -3.898 -2.791 20.621 1.00 17.95 O ATOM 361 C3' DC B 18 -5.383 -1.139 21.350 1.00 20.46 C ATOM 362 O3' DC B 18 -6.122 -0.495 22.422 1.00 22.52 O ATOM 363 C2' DC B 18 -4.069 -0.456 20.977 1.00 18.70 C ATOM 364 C1' DC B 18 -3.245 -1.549 20.252 1.00 18.68 C ATOM 365 P DG B 19 -7.015 0.794 21.992 1.00 18.68 P ATOM 366 N9 DG B 19 -3.670 3.314 18.697 1.00 8.91 N ATOM 367 C8 DG B 19 -4.569 2.317 18.417 1.00 7.23 C ATOM 368 N7 DG B 19 -4.814 2.192 17.179 1.00 8.80 N ATOM 369 C5 DG B 19 -4.038 3.182 16.585 1.00 8.99 C ATOM 370 C6 DG B 19 -3.831 3.450 15.217 1.00 9.86 C ATOM 371 O6 DG B 19 -4.361 2.871 14.270 1.00 14.98 O ATOM 372 N1 DG B 19 -2.868 4.446 14.998 1.00 8.65 N ATOM 373 C2 DG B 19 -2.192 5.116 15.998 1.00 8.58 C ATOM 374 N2 DG B 19 -1.417 6.149 15.640 1.00 8.82 N ATOM 375 N3 DG B 19 -2.387 4.836 17.299 1.00 9.44 N ATOM 376 C4 DG B 19 -3.324 3.871 17.515 1.00 8.64 C ATOM 377 OP1 DG B 19 -7.592 0.740 23.355 1.00 20.58 O ATOM 378 OP2 DG B 19 -7.881 0.644 20.808 1.00 18.98 O ATOM 379 O5' DG B 19 -6.137 2.085 21.765 1.00 14.67 O ATOM 380 C5' DG B 19 -5.282 2.635 22.743 1.00 14.92 C ATOM 381 C4' DG B 19 -4.265 3.471 22.044 1.00 11.67 C ATOM 382 O4' DG B 19 -3.668 2.725 20.993 1.00 13.34 O ATOM 383 C3' DG B 19 -4.831 4.632 21.315 1.00 12.46 C ATOM 384 O3' DG B 19 -5.233 5.692 22.194 1.00 12.97 O ATOM 385 C2' DG B 19 -3.646 4.994 20.460 1.00 10.60 C ATOM 386 C1' DG B 19 -3.149 3.663 20.010 1.00 11.00 C ATOM 387 P G B 20 -6.156 6.845 21.578 1.00 16.17 P ATOM 388 N9 G B 20 -4.621 7.966 16.781 1.00 8.70 N ATOM 389 C8 G B 20 -5.409 6.982 17.305 1.00 8.15 C ATOM 390 N7 G B 20 -5.951 6.226 16.408 1.00 9.88 N ATOM 391 C5 G B 20 -5.496 6.753 15.190 1.00 10.42 C ATOM 392 C6 G B 20 -5.780 6.342 13.855 1.00 11.50 C ATOM 393 O6 G B 20 -6.476 5.399 13.485 1.00 13.46 O ATOM 394 N1 G B 20 -5.138 7.125 12.924 1.00 8.26 N ATOM 395 C2 G B 20 -4.310 8.187 13.214 1.00 7.88 C ATOM 396 N2 G B 20 -3.735 8.801 12.170 1.00 6.62 N ATOM 397 N3 G B 20 -4.043 8.594 14.477 1.00 8.59 N ATOM 398 C4 G B 20 -4.676 7.821 15.410 1.00 7.98 C ATOM 399 OP1 G B 20 -6.346 7.569 22.839 1.00 11.59 O ATOM 400 OP2 G B 20 -7.348 6.334 20.882 1.00 19.70 O ATOM 401 O5' G B 20 -5.304 7.716 20.550 1.00 15.64 O ATOM 402 C5' G B 20 -4.166 8.497 20.960 1.00 13.60 C ATOM 403 C4' G B 20 -3.731 9.295 19.780 1.00 11.64 C ATOM 404 O4' G B 20 -3.346 8.405 18.762 1.00 12.78 O ATOM 405 C3' G B 20 -4.937 10.017 19.154 1.00 9.26 C ATOM 406 O3' G B 20 -5.162 11.232 19.849 1.00 8.82 O ATOM 407 C2' G B 20 -4.515 10.231 17.738 1.00 10.28 C ATOM 408 O2' G B 20 -3.496 11.210 17.640 1.00 14.06 O ATOM 409 C1' G B 20 -3.782 8.924 17.491 1.00 11.06 C TER 410 G B 20 HETATM 411 N1 SPM 21 10.683 -8.783 22.839 1.00 40.13 N HETATM 412 C2 SPM 21 11.531 -7.621 23.379 1.00 38.06 C HETATM 413 C3 SPM 21 10.826 -6.312 23.033 1.00 36.69 C HETATM 414 C4 SPM 21 11.754 -5.116 22.994 1.00 35.02 C HETATM 415 N5 SPM 21 10.958 -3.909 22.549 1.00 32.86 N HETATM 416 C6 SPM 21 12.018 -2.878 22.231 1.00 32.94 C HETATM 417 C7 SPM 21 11.419 -1.515 22.220 1.00 31.05 C HETATM 418 C8 SPM 21 12.460 -0.586 21.671 1.00 30.79 C HETATM 419 C9 SPM 21 12.057 0.847 21.888 1.00 28.48 C HETATM 420 N10 SPM 21 13.064 1.749 21.221 1.00 28.45 N HETATM 421 C11 SPM 21 13.493 2.749 22.270 1.00 30.71 C HETATM 422 C12 SPM 21 14.237 3.946 21.699 1.00 31.37 C HETATM 423 C13 SPM 21 14.691 4.712 22.920 1.00 32.44 C HETATM 424 N14 SPM 21 14.460 6.175 22.642 1.00 34.72 N HETATM 425 O HOH 22 -2.974 -2.437 11.925 1.00 16.09 O HETATM 426 O HOH 23 4.908 -5.520 0.996 1.00 18.38 O HETATM 427 O HOH 24 -7.781 4.610 18.814 1.00 18.46 O HETATM 428 O HOH 25 -0.410 11.047 5.984 1.00 21.92 O HETATM 429 O HOH 26 -8.768 2.303 25.439 1.00 63.34 O HETATM 430 O HOH 27 2.982 -6.730 19.716 1.00 59.88 O HETATM 431 O HOH 28 14.965 -12.628 -1.536 1.00 20.30 O HETATM 432 O HOH 29 11.946 -14.326 0.320 1.00 19.82 O HETATM 433 O HOH 30 10.067 -5.986 15.026 1.00 53.92 O HETATM 434 O HOH 31 12.687 -7.091 6.513 1.00 22.27 O HETATM 435 O HOH 32 12.609 -9.474 8.227 1.00 37.71 O HETATM 436 O HOH 33 -2.941 -7.858 2.063 1.00 27.19 O HETATM 437 O HOH 34 7.529 -3.577 14.088 1.00 21.79 O HETATM 438 O HOH 35 1.254 -0.882 12.378 1.00 24.27 O HETATM 439 O HOH 36 3.423 0.963 13.195 1.00 29.99 O HETATM 440 O HOH 37 7.112 -6.175 -0.485 1.00 27.77 O HETATM 441 O HOH 38 -0.686 -3.219 10.199 1.00 34.51 O HETATM 442 O HOH 39 9.580 7.535 14.458 1.00 36.42 O HETATM 443 O HOH 40 13.715 -4.726 5.032 1.00 69.56 O HETATM 444 O HOH 41 5.720 -2.345 11.434 1.00 31.09 O HETATM 445 O HOH 42 3.591 6.788 4.471 1.00 54.80 O HETATM 446 O HOH 43 10.402 4.780 14.504 1.00 68.31 O HETATM 447 O HOH 44 14.574 -10.275 18.466 1.00 49.77 O HETATM 448 O HOH 45 9.740 9.480 0.051 1.00 32.13 O HETATM 449 O HOH 46 0.657 2.761 2.939 1.00 32.50 O HETATM 450 O HOH 47 -4.337 -5.705 11.632 1.00 61.29 O HETATM 451 O HOH 48 8.511 0.032 6.773 1.00 19.39 O HETATM 452 O HOH 49 4.696 -1.081 7.336 1.00 33.58 O HETATM 453 O HOH 50 15.251 -12.102 2.108 1.00 32.25 O HETATM 454 O HOH 51 -6.031 -4.587 15.810 1.00 44.75 O HETATM 455 O HOH 52 3.985 7.860 0.750 1.00 43.33 O HETATM 456 O HOH 53 -9.947 -8.411 16.066 1.00 42.79 O HETATM 457 O HOH 54 14.022 -9.173 2.574 1.00 61.84 O HETATM 458 O HOH 55 8.927 4.925 21.552 1.00 21.30 O HETATM 459 O HOH 56 12.080 -9.656 20.565 1.00 39.11 O HETATM 460 O HOH 57 10.264 3.453 5.213 1.00 32.36 O HETATM 461 O HOH 58 7.585 8.903 10.458 1.00 55.81 O HETATM 462 O HOH 59 -6.958 -12.129 15.577 1.00 25.61 O HETATM 463 O HOH 60 7.487 1.041 16.040 1.00 46.35 O HETATM 464 O HOH 61 -0.194 -3.247 7.396 1.00 35.93 O HETATM 465 O HOH 62 8.225 6.727 12.206 1.00 60.91 O HETATM 466 O HOH 63 -7.060 4.463 4.604 1.00 46.27 O HETATM 467 O HOH 64 7.946 3.533 12.709 1.00 28.03 O HETATM 468 O HOH 65 6.779 -1.926 8.904 1.00 41.06 O HETATM 469 O HOH 66 -4.616 1.948 8.938 1.00 36.90 O HETATM 470 O HOH 67 2.587 3.984 4.922 1.00 71.03 O HETATM 471 O HOH 68 -2.870 3.373 6.568 1.00 35.34 O HETATM 472 O HOH 69 -2.641 -4.676 8.852 1.00 65.95 O HETATM 473 O HOH 70 7.896 2.158 5.060 1.00 37.59 O HETATM 474 O HOH 71 -10.031 -4.027 18.622 1.00 67.65 O HETATM 475 O HOH 72 -8.176 -1.645 24.639 1.00 49.61 O HETATM 476 O HOH 73 17.116 0.579 15.466 1.00 47.99 O HETATM 477 O HOH 74 -2.555 0.759 5.884 1.00 40.81 O HETATM 478 O HOH 75 5.250 1.995 7.543 1.00 70.98 O HETATM 479 O HOH 76 -10.113 -6.723 18.202 1.00 59.20 O HETATM 480 O HOH 77 1.829 -2.266 9.724 1.00 75.20 O HETATM 481 O HOH 78 -8.873 -3.504 22.680 1.00 79.41 O HETATM 482 O HOH 79 -9.310 -1.446 19.391 1.00 71.79 O HETATM 483 O HOH 80 -6.613 0.677 10.598 1.00 80.35 O HETATM 484 O HOH 81 -7.134 2.452 7.202 1.00 72.90 O HETATM 485 O HOH 82 13.359 4.222 15.085 1.00 55.82 O HETATM 486 O HOH 83 -1.981 3.230 3.724 1.00 91.06 O HETATM 487 O HOH 84 8.014 -16.765 6.352 1.00 97.71 O HETATM 488 O HOH 85 13.277 -1.574 6.340 1.00 80.86 O HETATM 489 O HOH 86 4.216 1.820 10.481 1.00 76.69 O HETATM 490 O HOH 87 10.662 -11.389 23.778 1.00 49.18 O HETATM 491 O HOH 88 -2.029 -10.316 17.858 1.00 83.02 O CONECT 411 412 CONECT 412 411 413 CONECT 413 412 414 CONECT 414 413 415 CONECT 415 414 416 CONECT 416 415 417 CONECT 417 416 418 CONECT 418 417 419 CONECT 419 418 420 CONECT 420 419 421 CONECT 421 420 422 CONECT 422 421 423 CONECT 423 422 424 CONECT 424 423 MASTER 0 0 0 0 0 0 0 6 489 2 14 2 END
Generated by dwww version 1.15 on Thu Jun 20 14:29:11 CEST 2024.