USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 253 hydrogens (139 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 DT C7 :methyl 150:sc= -2.28 (180deg=-2.28) USER MOD Single : A 10 DT O3' : rot 180:sc= 0 USER MOD Single : B 13 DT C7 :methyl -30:sc= -2.64! (180deg=-2.94!) USER MOD Single : B 20 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C5' XTY A 1 -12.723 -7.290 -11.494 1.00 0.00 C HETATM 2 C4' XTY A 1 -12.400 -8.162 -10.284 1.00 0.00 C HETATM 3 O4' XTY A 1 -11.472 -9.178 -10.686 1.00 0.00 O HETATM 4 C3' XTY A 1 -11.724 -7.428 -9.131 1.00 0.00 C HETATM 5 C2' XTY A 1 -10.243 -7.696 -9.337 1.00 0.00 C HETATM 6 C1' XTY A 1 -10.247 -9.101 -9.945 1.00 0.00 C HETATM 7 O5' XTY A 1 -12.898 -5.918 -11.128 1.00 0.00 O HETATM 8 C2 XTY A 1 -8.324 -12.800 -10.216 1.00 0.00 C HETATM 9 O2 XTY A 1 -8.680 -13.738 -9.507 1.00 0.00 O HETATM 10 N3 XTY A 1 -7.285 -12.942 -11.119 1.00 0.00 N HETATM 11 C4 XTY A 1 -6.830 -11.943 -11.952 1.00 0.00 C HETATM 12 O4 XTY A 1 -5.901 -12.155 -12.730 1.00 0.00 O HETATM 13 C5 XTY A 1 -7.461 -10.696 -11.880 1.00 0.00 C HETATM 14 C6 XTY A 1 -8.528 -10.514 -10.963 1.00 0.00 C HETATM 15 N XTY A 1 -8.956 -11.561 -10.137 1.00 0.00 N HETATM 16 CP XTY A 1 -7.034 -9.637 -12.711 1.00 0.00 C HETATM 17 CD XTY A 1 -8.734 -8.210 -11.720 1.00 0.00 C HETATM 18 C8 XTY A 1 -9.184 -9.259 -10.870 1.00 0.00 C HETATM 19 C7 XTY A 1 -7.674 -8.402 -12.626 1.00 0.00 C HETATM 20 C7A XTY A 1 -7.225 -7.250 -13.520 1.00 0.00 C HETATM 21 O3' XTY A 1 -12.109 -8.092 -7.921 1.00 0.00 O HETATM 0 H7A3 XTY A 1 -6.179 -7.020 -13.319 1.00 0.00 H new HETATM 0 H7A2 XTY A 1 -7.339 -7.535 -14.566 1.00 0.00 H new HETATM 0 H7A1 XTY A 1 -7.836 -6.371 -13.315 1.00 0.00 H new HETATM 0 H5'2 XTY A 1 -11.919 -7.371 -12.226 1.00 0.00 H new HETATM 0 H5'1 XTY A 1 -13.630 -7.657 -11.975 1.00 0.00 H new HETATM 0 H2'2 XTY A 1 -9.787 -6.965 -10.005 1.00 0.00 H new HETATM 0 H2'1 XTY A 1 -9.689 -7.660 -8.399 1.00 0.00 H new HETATM 0 HP XTY A 1 -6.212 -9.784 -13.412 1.00 0.00 H new HETATM 0 HN3 XTY A 1 -6.823 -13.850 -11.172 1.00 0.00 H new HETATM 0 HN XTY A 1 -9.725 -11.417 -9.482 1.00 0.00 H new HETATM 0 HD XTY A 1 -9.221 -7.236 -11.668 1.00 0.00 H new HETATM 0 H4' XTY A 1 -13.362 -8.539 -9.937 1.00 0.00 H new HETATM 0 H3' XTY A 1 -11.973 -6.368 -9.086 1.00 0.00 H new HETATM 0 H1' XTY A 1 -10.144 -9.858 -9.168 1.00 0.00 H new ATOM 37 P DG A 2 -13.015 -7.336 -6.822 1.00 0.00 P ATOM 38 OP1 DG A 2 -12.824 -5.877 -6.984 1.00 0.00 O ATOM 39 OP2 DG A 2 -14.378 -7.910 -6.872 1.00 0.00 O ATOM 40 O5' DG A 2 -12.333 -7.779 -5.431 1.00 0.00 O ATOM 41 C5' DG A 2 -12.355 -9.146 -5.006 1.00 0.00 C ATOM 42 C4' DG A 2 -11.352 -9.404 -3.883 1.00 0.00 C ATOM 43 O4' DG A 2 -10.075 -9.693 -4.466 1.00 0.00 O ATOM 44 C3' DG A 2 -11.106 -8.219 -2.958 1.00 0.00 C ATOM 45 O3' DG A 2 -10.656 -8.750 -1.707 1.00 0.00 O ATOM 46 C2' DG A 2 -9.926 -7.501 -3.593 1.00 0.00 C ATOM 47 C1' DG A 2 -9.120 -8.659 -4.181 1.00 0.00 C ATOM 48 N9 DG A 2 -8.446 -8.299 -5.446 1.00 0.00 N ATOM 49 C8 DG A 2 -8.673 -7.219 -6.265 1.00 0.00 C ATOM 50 N7 DG A 2 -7.940 -7.213 -7.340 1.00 0.00 N ATOM 51 C5 DG A 2 -7.170 -8.363 -7.231 1.00 0.00 C ATOM 52 C6 DG A 2 -6.185 -8.882 -8.112 1.00 0.00 C ATOM 53 O6 DG A 2 -5.813 -8.422 -9.186 1.00 0.00 O ATOM 54 N1 DG A 2 -5.640 -10.062 -7.633 1.00 0.00 N ATOM 55 C2 DG A 2 -5.998 -10.675 -6.453 1.00 0.00 C ATOM 56 N2 DG A 2 -5.368 -11.809 -6.142 1.00 0.00 N ATOM 57 N3 DG A 2 -6.927 -10.197 -5.618 1.00 0.00 N ATOM 58 C4 DG A 2 -7.468 -9.039 -6.072 1.00 0.00 C ATOM 0 H5' DG A 2 -12.128 -9.794 -5.853 1.00 0.00 H new ATOM 0 H5'' DG A 2 -13.357 -9.405 -4.665 1.00 0.00 H new ATOM 0 H4' DG A 2 -11.784 -10.217 -3.300 1.00 0.00 H new ATOM 0 H3' DG A 2 -11.980 -7.583 -2.816 1.00 0.00 H new ATOM 0 H2' DG A 2 -10.244 -6.796 -4.361 1.00 0.00 H new ATOM 0 H2'' DG A 2 -9.351 -6.936 -2.859 1.00 0.00 H new ATOM 0 H1' DG A 2 -8.344 -8.955 -3.475 1.00 0.00 H new ATOM 0 H8 DG A 2 -9.393 -6.447 -6.037 1.00 0.00 H new ATOM 0 H1 DG A 2 -4.919 -10.511 -8.197 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.598 -12.300 -5.278 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.656 -12.185 -6.768 1.00 0.00 H new HETATM 70 P XTY A 3 -11.006 -8.005 -0.321 1.00 0.00 P HETATM 71 OP1 XTY A 3 -11.465 -9.024 0.650 1.00 0.00 O HETATM 72 OP2 XTY A 3 -11.860 -6.834 -0.620 1.00 0.00 O HETATM 73 C5' XTY A 3 -8.370 -8.160 -0.206 1.00 0.00 C HETATM 74 C4' XTY A 3 -7.141 -7.578 0.485 1.00 0.00 C HETATM 75 O4' XTY A 3 -6.190 -7.188 -0.512 1.00 0.00 O HETATM 76 C3' XTY A 3 -7.390 -6.315 1.293 1.00 0.00 C HETATM 77 C2' XTY A 3 -7.198 -5.207 0.273 1.00 0.00 C HETATM 78 C1' XTY A 3 -6.055 -5.756 -0.590 1.00 0.00 C HETATM 79 O5' XTY A 3 -9.567 -7.467 0.161 1.00 0.00 O HETATM 80 C2 XTY A 3 -4.006 -7.892 -3.482 1.00 0.00 C HETATM 81 O2 XTY A 3 -3.278 -8.823 -3.149 1.00 0.00 O HETATM 82 N3 XTY A 3 -4.159 -7.542 -4.811 1.00 0.00 N HETATM 83 C4 XTY A 3 -4.963 -6.510 -5.260 1.00 0.00 C HETATM 84 O4 XTY A 3 -5.052 -6.258 -6.458 1.00 0.00 O HETATM 85 C5 XTY A 3 -5.667 -5.769 -4.306 1.00 0.00 C HETATM 86 C6 XTY A 3 -5.528 -6.107 -2.940 1.00 0.00 C HETATM 87 N XTY A 3 -4.705 -7.157 -2.531 1.00 0.00 N HETATM 88 CP XTY A 3 -6.504 -4.703 -4.702 1.00 0.00 C HETATM 89 CD XTY A 3 -7.060 -4.312 -2.367 1.00 0.00 C HETATM 90 C8 XTY A 3 -6.224 -5.382 -1.946 1.00 0.00 C HETATM 91 C7 XTY A 3 -7.196 -3.980 -3.729 1.00 0.00 C HETATM 92 C7A XTY A 3 -8.104 -2.826 -4.144 1.00 0.00 C HETATM 93 O3' XTY A 3 -6.329 -6.207 2.248 1.00 0.00 O HETATM 0 H7A3 XTY A 3 -7.517 -2.071 -4.667 1.00 0.00 H new HETATM 0 H7A2 XTY A 3 -8.887 -3.199 -4.804 1.00 0.00 H new HETATM 0 H7A1 XTY A 3 -8.557 -2.383 -3.257 1.00 0.00 H new HETATM 0 H5'2 XTY A 3 -8.237 -8.108 -1.287 1.00 0.00 H new HETATM 0 H5'1 XTY A 3 -8.467 -9.214 0.053 1.00 0.00 H new HETATM 0 H2'2 XTY A 3 -8.101 -5.031 -0.311 1.00 0.00 H new HETATM 0 H2'1 XTY A 3 -6.934 -4.261 0.745 1.00 0.00 H new HETATM 0 HP XTY A 3 -6.609 -4.447 -5.756 1.00 0.00 H new HETATM 0 HN3 XTY A 3 -3.644 -8.081 -5.507 1.00 0.00 H new HETATM 0 HN XTY A 3 -4.617 -7.384 -1.540 1.00 0.00 H new HETATM 0 HD XTY A 3 -7.607 -3.737 -1.620 1.00 0.00 H new HETATM 0 H4' XTY A 3 -6.807 -8.366 1.160 1.00 0.00 H new HETATM 0 H3' XTY A 3 -8.357 -6.291 1.796 1.00 0.00 H new HETATM 0 H1' XTY A 3 -5.090 -5.381 -0.247 1.00 0.00 H new ATOM 108 P DA A 4 -6.551 -6.666 3.777 1.00 0.00 P ATOM 109 OP1 DA A 4 -6.565 -5.453 4.626 1.00 0.00 O ATOM 110 OP2 DA A 4 -7.692 -7.609 3.822 1.00 0.00 O ATOM 111 O5' DA A 4 -5.204 -7.487 4.100 1.00 0.00 O ATOM 112 C5' DA A 4 -4.819 -8.609 3.297 1.00 0.00 C ATOM 113 C4' DA A 4 -3.303 -8.765 3.243 1.00 0.00 C ATOM 114 O4' DA A 4 -2.812 -8.080 2.081 1.00 0.00 O ATOM 115 C3' DA A 4 -2.554 -8.142 4.420 1.00 0.00 C ATOM 116 O3' DA A 4 -1.334 -8.873 4.579 1.00 0.00 O ATOM 117 C2' DA A 4 -2.182 -6.760 3.911 1.00 0.00 C ATOM 118 C1' DA A 4 -1.878 -7.059 2.450 1.00 0.00 C ATOM 119 N9 DA A 4 -2.072 -5.889 1.573 1.00 0.00 N ATOM 120 C8 DA A 4 -2.884 -4.798 1.757 1.00 0.00 C ATOM 121 N7 DA A 4 -2.811 -3.926 0.792 1.00 0.00 N ATOM 122 C5 DA A 4 -1.889 -4.479 -0.087 1.00 0.00 C ATOM 123 C6 DA A 4 -1.369 -4.044 -1.313 1.00 0.00 C ATOM 124 N6 DA A 4 -1.701 -2.887 -1.880 1.00 0.00 N ATOM 125 N1 DA A 4 -0.473 -4.831 -1.928 1.00 0.00 N ATOM 126 C2 DA A 4 -0.121 -5.975 -1.354 1.00 0.00 C ATOM 127 N3 DA A 4 -0.534 -6.494 -0.210 1.00 0.00 N ATOM 128 C4 DA A 4 -1.432 -5.676 0.378 1.00 0.00 C ATOM 0 H5' DA A 4 -5.209 -8.485 2.287 1.00 0.00 H new ATOM 0 H5'' DA A 4 -5.265 -9.517 3.702 1.00 0.00 H new ATOM 0 H4' DA A 4 -3.127 -9.841 3.247 1.00 0.00 H new ATOM 0 H3' DA A 4 -3.122 -8.134 5.350 1.00 0.00 H new ATOM 0 H2' DA A 4 -2.998 -6.046 4.024 1.00 0.00 H new ATOM 0 H2'' DA A 4 -1.320 -6.346 4.435 1.00 0.00 H new ATOM 0 H1' DA A 4 -0.835 -7.353 2.336 1.00 0.00 H new ATOM 0 H8 DA A 4 -3.522 -4.674 2.619 1.00 0.00 H new ATOM 0 H61 DA A 4 -1.290 -2.621 -2.775 1.00 0.00 H new ATOM 0 H62 DA A 4 -2.366 -2.266 -1.420 1.00 0.00 H new ATOM 0 H2 DA A 4 0.604 -6.564 -1.897 1.00 0.00 H new HETATM 140 P XCS A 5 -0.573 -8.912 6.000 1.00 0.00 P HETATM 141 OP2 XCS A 5 -1.448 -8.280 7.014 1.00 0.00 O HETATM 142 C6 XCS A 5 0.398 -2.946 2.694 1.00 0.00 C HETATM 143 C2 XCS A 5 1.405 -2.674 0.528 1.00 0.00 C HETATM 144 O2 XCS A 5 2.350 -2.882 -0.230 1.00 0.00 O HETATM 145 N3 XCS A 5 0.315 -1.950 0.118 1.00 0.00 N HETATM 146 C4 XCS A 5 -0.719 -1.710 0.940 1.00 0.00 C HETATM 147 N4 XCS A 5 -1.743 -1.002 0.464 1.00 0.00 N HETATM 148 C5 XCS A 5 -0.715 -2.207 2.279 1.00 0.00 C HETATM 149 OP1 XCS A 5 -0.069 -10.286 6.217 1.00 0.00 O HETATM 150 O5' XCS A 5 0.693 -7.942 5.758 1.00 0.00 O HETATM 151 C5' XCS A 5 1.176 -7.671 4.436 1.00 0.00 C HETATM 152 C4' XCS A 5 2.166 -6.507 4.422 1.00 0.00 C HETATM 153 O4' XCS A 5 1.624 -5.431 3.633 1.00 0.00 O HETATM 154 C1' XCS A 5 1.625 -4.201 4.372 1.00 0.00 C HETATM 155 ND XCS A 5 1.452 -3.180 1.832 1.00 0.00 N HETATM 156 CP XCS A 5 -1.794 -1.959 3.152 1.00 0.00 C HETATM 157 CD XCS A 5 -0.628 -3.209 4.879 1.00 0.00 C HETATM 158 C8 XCS A 5 0.469 -3.465 4.006 1.00 0.00 C HETATM 159 C7 XCS A 5 -1.744 -2.464 4.450 1.00 0.00 C HETATM 160 C7A XCS A 5 -2.902 -2.207 5.409 1.00 0.00 C HETATM 161 C2' XCS A 5 1.571 -4.658 5.828 1.00 0.00 C HETATM 162 C3' XCS A 5 2.450 -5.897 5.793 1.00 0.00 C HETATM 163 O3' XCS A 5 3.808 -5.454 5.788 1.00 0.00 O HETATM 0 HN42 XCS A 5 -2.545 -0.801 1.061 1.00 0.00 H new HETATM 0 HN41 XCS A 5 -1.724 -0.661 -0.497 1.00 0.00 H new HETATM 0 H7A3 XCS A 5 -3.028 -1.133 5.547 1.00 0.00 H new HETATM 0 H7A2 XCS A 5 -3.818 -2.630 4.995 1.00 0.00 H new HETATM 0 H7A1 XCS A 5 -2.689 -2.674 6.370 1.00 0.00 H new HETATM 0 H5'2 XCS A 5 1.658 -8.563 4.035 1.00 0.00 H new HETATM 0 H5'1 XCS A 5 0.335 -7.441 3.782 1.00 0.00 H new HETATM 0 H2'2 XCS A 5 1.958 -3.901 6.510 1.00 0.00 H new HETATM 0 H2'1 XCS A 5 0.554 -4.886 6.148 1.00 0.00 H new HETATM 0 HP XCS A 5 -2.655 -1.381 2.817 1.00 0.00 H new HETATM 0 HND XCS A 5 2.260 -3.719 2.144 1.00 0.00 H new HETATM 0 HD XCS A 5 -0.603 -3.597 5.897 1.00 0.00 H new HETATM 0 H4' XCS A 5 3.089 -6.931 4.027 1.00 0.00 H new HETATM 0 H3' XCS A 5 2.274 -6.582 6.622 1.00 0.00 H new HETATM 0 H1' XCS A 5 2.485 -3.557 4.190 1.00 0.00 H new HETATM 179 P XGA A 6 4.727 -5.618 7.101 1.00 0.00 P HETATM 180 OP1 XGA A 6 5.596 -6.801 6.914 1.00 0.00 O HETATM 181 OP2 XGA A 6 3.855 -5.523 8.293 1.00 0.00 O HETATM 182 C5' XGA A 6 6.182 -3.831 5.806 1.00 0.00 C HETATM 183 O5' XGA A 6 5.650 -4.301 7.049 1.00 0.00 O HETATM 184 C4' XGA A 6 6.503 -2.340 5.858 1.00 0.00 C HETATM 185 O4' XGA A 6 5.501 -1.620 5.126 1.00 0.00 O HETATM 186 C3' XGA A 6 6.502 -1.734 7.262 1.00 0.00 C HETATM 187 C2' XGA A 6 5.160 -1.027 7.368 1.00 0.00 C HETATM 188 C1' XGA A 6 4.921 -0.588 5.929 1.00 0.00 C HETATM 189 N9 XGA A 6 3.516 -0.426 5.585 1.00 0.00 N HETATM 190 C8 XGA A 6 2.434 -0.712 6.384 1.00 0.00 C HETATM 191 N7 XGA A 6 1.297 -0.450 5.787 1.00 0.00 N HETATM 192 C4 XGA A 6 2.829 0.938 2.150 1.00 0.00 C HETATM 193 C5 XGA A 6 1.427 0.920 2.292 1.00 0.00 C HETATM 194 N3 XGA A 6 3.429 1.361 1.030 1.00 0.00 N HETATM 195 C2 XGA A 6 2.629 1.779 0.024 1.00 0.00 C HETATM 196 N2 XGA A 6 3.216 2.216 -1.116 1.00 0.00 N HETATM 197 N1 XGA A 6 1.283 1.794 0.080 1.00 0.00 N HETATM 198 C6 XGA A 6 0.644 1.362 1.226 1.00 0.00 C HETATM 199 O6 XGA A 6 -0.583 1.382 1.295 1.00 0.00 O HETATM 200 C10 XGA A 6 3.028 0.054 4.388 1.00 0.00 C HETATM 201 C11 XGA A 6 1.643 0.026 4.551 1.00 0.00 C HETATM 202 CP XGA A 6 0.827 0.461 3.497 1.00 0.00 C HETATM 203 CD XGA A 6 3.635 0.506 3.202 1.00 0.00 C HETATM 204 O3' XGA A 6 7.520 -0.729 7.284 1.00 0.00 O HETATM 0 HN22 XGA A 6 2.641 2.538 -1.894 1.00 0.00 H new HETATM 0 HN21 XGA A 6 4.233 2.223 -1.196 1.00 0.00 H new HETATM 0 H5'2 XGA A 6 7.086 -4.390 5.562 1.00 0.00 H new HETATM 0 H5'1 XGA A 6 5.465 -4.021 5.008 1.00 0.00 H new HETATM 0 H2'2 XGA A 6 4.375 -1.692 7.728 1.00 0.00 H new HETATM 0 H2'1 XGA A 6 5.198 -0.180 8.053 1.00 0.00 H new HETATM 0 HP XGA A 6 -0.258 0.447 3.600 1.00 0.00 H new HETATM 0 HN1 XGA A 6 0.739 2.122 -0.718 1.00 0.00 H new HETATM 0 HD XGA A 6 4.721 0.518 3.107 1.00 0.00 H new HETATM 0 H8 XGA A 6 2.513 -1.110 7.396 1.00 0.00 H new HETATM 0 H4' XGA A 6 7.508 -2.253 5.445 1.00 0.00 H new HETATM 0 H3' XGA A 6 6.664 -2.466 8.053 1.00 0.00 H new HETATM 0 H1' XGA A 6 5.362 0.396 5.768 1.00 0.00 H new ATOM 218 P DC A 7 8.973 -1.061 7.893 1.00 0.00 P ATOM 219 OP1 DC A 7 9.426 -2.356 7.335 1.00 0.00 O ATOM 220 OP2 DC A 7 8.912 -0.874 9.360 1.00 0.00 O ATOM 221 O5' DC A 7 9.896 0.104 7.277 1.00 0.00 O ATOM 222 C5' DC A 7 10.153 0.176 5.869 1.00 0.00 C ATOM 223 C4' DC A 7 10.374 1.617 5.416 1.00 0.00 C ATOM 224 O4' DC A 7 9.126 2.155 4.947 1.00 0.00 O ATOM 225 C3' DC A 7 10.814 2.566 6.523 1.00 0.00 C ATOM 226 O3' DC A 7 11.472 3.678 5.902 1.00 0.00 O ATOM 227 C2' DC A 7 9.496 3.073 7.079 1.00 0.00 C ATOM 228 C1' DC A 7 8.666 3.214 5.804 1.00 0.00 C ATOM 229 N1 DC A 7 7.203 3.054 6.021 1.00 0.00 N ATOM 230 C2 DC A 7 6.387 2.994 4.893 1.00 0.00 C ATOM 231 O2 DC A 7 6.873 3.078 3.766 1.00 0.00 O ATOM 232 N3 DC A 7 5.045 2.848 5.064 1.00 0.00 N ATOM 233 C4 DC A 7 4.514 2.764 6.291 1.00 0.00 C ATOM 234 N4 DC A 7 3.193 2.620 6.388 1.00 0.00 N ATOM 235 C5 DC A 7 5.340 2.827 7.455 1.00 0.00 C ATOM 236 C6 DC A 7 6.667 2.972 7.279 1.00 0.00 C ATOM 0 H5' DC A 7 9.314 -0.254 5.322 1.00 0.00 H new ATOM 0 H5'' DC A 7 11.032 -0.422 5.627 1.00 0.00 H new ATOM 0 H4' DC A 7 11.158 1.559 4.661 1.00 0.00 H new ATOM 0 H3' DC A 7 11.468 2.110 7.266 1.00 0.00 H new ATOM 0 H2' DC A 7 9.050 2.371 7.784 1.00 0.00 H new ATOM 0 H2'' DC A 7 9.609 4.022 7.603 1.00 0.00 H new ATOM 0 H1' DC A 7 8.795 4.215 5.393 1.00 0.00 H new ATOM 0 H41 DC A 7 2.753 2.553 7.306 1.00 0.00 H new ATOM 0 H42 DC A 7 2.621 2.577 5.544 1.00 0.00 H new ATOM 0 H5 DC A 7 4.913 2.760 8.445 1.00 0.00 H new ATOM 0 H6 DC A 7 7.317 3.024 8.140 1.00 0.00 H new HETATM 248 P XAE A 8 12.862 4.240 6.493 1.00 0.00 P HETATM 249 OP1 XAE A 8 13.948 3.329 6.064 1.00 0.00 O HETATM 250 OP2 XAE A 8 12.669 4.531 7.930 1.00 0.00 O HETATM 251 C5' XAE A 8 12.849 5.731 4.302 1.00 0.00 C HETATM 252 C4' XAE A 8 12.348 7.114 3.888 1.00 0.00 C HETATM 253 O4' XAE A 8 10.919 7.145 4.021 1.00 0.00 O HETATM 254 C3' XAE A 8 12.834 8.264 4.762 1.00 0.00 C HETATM 255 C2' XAE A 8 11.799 8.314 5.869 1.00 0.00 C HETATM 256 C1' XAE A 8 10.519 8.011 5.096 1.00 0.00 C HETATM 257 O5' XAE A 8 13.045 5.641 5.718 1.00 0.00 O HETATM 258 N9 XAE A 8 9.496 7.358 5.893 1.00 0.00 N HETATM 259 C8 XAE A 8 9.704 6.515 6.957 1.00 0.00 C HETATM 260 N7 XAE A 8 8.581 6.056 7.449 1.00 0.00 N HETATM 261 C5 XAE A 8 5.381 7.156 5.835 1.00 0.00 C HETATM 262 C4 XAE A 8 5.934 7.998 4.849 1.00 0.00 C HETATM 263 C6 XAE A 8 3.965 7.029 5.872 1.00 0.00 C HETATM 264 N6 XAE A 8 3.352 6.254 6.764 1.00 0.00 N HETATM 265 N1 XAE A 8 3.223 7.702 4.987 1.00 0.00 N HETATM 266 C2 XAE A 8 3.856 8.469 4.100 1.00 0.00 C HETATM 267 N3 XAE A 8 5.172 8.685 3.943 1.00 0.00 N HETATM 268 C10 XAE A 8 8.132 7.444 5.694 1.00 0.00 C HETATM 269 C11 XAE A 8 7.598 6.618 6.682 1.00 0.00 C HETATM 270 CP XAE A 8 6.208 6.467 6.758 1.00 0.00 C HETATM 271 CD XAE A 8 7.322 8.137 4.771 1.00 0.00 C HETATM 272 O3' XAE A 8 12.684 9.464 3.994 1.00 0.00 O HETATM 0 HN62 XAE A 8 2.334 6.184 6.765 1.00 0.00 H new HETATM 0 HN61 XAE A 8 3.900 5.730 7.447 1.00 0.00 H new HETATM 0 H5'2 XAE A 8 12.132 4.974 3.985 1.00 0.00 H new HETATM 0 H5'1 XAE A 8 13.787 5.515 3.790 1.00 0.00 H new HETATM 0 H2'2 XAE A 8 11.994 7.576 6.647 1.00 0.00 H new HETATM 0 H2'1 XAE A 8 11.764 9.289 6.356 1.00 0.00 H new HETATM 0 HP XAE A 8 5.766 5.825 7.520 1.00 0.00 H new HETATM 0 HD XAE A 8 7.772 8.772 4.008 1.00 0.00 H new HETATM 0 H8 XAE A 8 10.689 6.258 7.346 1.00 0.00 H new HETATM 0 H4' XAE A 8 12.725 7.253 2.875 1.00 0.00 H new HETATM 0 H3' XAE A 8 13.860 8.156 5.114 1.00 0.00 H new HETATM 0 H2 XAE A 8 3.211 8.999 3.399 1.00 0.00 H new HETATM 0 H1' XAE A 8 10.068 8.944 4.760 1.00 0.00 H new HETATM 286 P XGA A 9 13.575 10.769 4.307 1.00 0.00 P HETATM 287 OP1 XGA A 9 14.775 10.729 3.442 1.00 0.00 O HETATM 288 OP2 XGA A 9 13.727 10.888 5.774 1.00 0.00 O HETATM 289 C5' XGA A 9 11.708 11.773 2.720 1.00 0.00 C HETATM 290 O5' XGA A 9 12.628 11.971 3.800 1.00 0.00 O HETATM 291 C4' XGA A 9 10.491 12.689 2.834 1.00 0.00 C HETATM 292 O4' XGA A 9 9.499 12.047 3.649 1.00 0.00 O HETATM 293 C3' XGA A 9 10.759 14.034 3.509 1.00 0.00 C HETATM 294 C2' XGA A 9 10.322 13.816 4.950 1.00 0.00 C HETATM 295 C1' XGA A 9 9.153 12.858 4.777 1.00 0.00 C HETATM 296 N9 XGA A 9 8.917 12.013 5.934 1.00 0.00 N HETATM 297 C8 XGA A 9 9.856 11.268 6.599 1.00 0.00 C HETATM 298 N7 XGA A 9 9.332 10.582 7.587 1.00 0.00 N HETATM 299 C4 XGA A 9 5.362 11.825 7.145 1.00 0.00 C HETATM 300 C5 XGA A 9 5.635 10.913 8.184 1.00 0.00 C HETATM 301 N3 XGA A 9 4.131 12.294 6.909 1.00 0.00 N HETATM 302 C2 XGA A 9 3.140 11.857 7.716 1.00 0.00 C HETATM 303 N2 XGA A 9 1.889 12.324 7.488 1.00 0.00 N HETATM 304 N1 XGA A 9 3.313 10.987 8.732 1.00 0.00 N HETATM 305 C6 XGA A 9 4.578 10.489 8.992 1.00 0.00 C HETATM 306 O6 XGA A 9 4.749 9.683 9.906 1.00 0.00 O HETATM 307 C10 XGA A 9 7.701 11.789 6.546 1.00 0.00 C HETATM 308 C11 XGA A 9 7.998 10.891 7.571 1.00 0.00 C HETATM 309 CP XGA A 9 6.961 10.445 8.404 1.00 0.00 C HETATM 310 CD XGA A 9 6.396 12.263 6.318 1.00 0.00 C HETATM 311 O3' XGA A 9 9.848 14.976 2.933 1.00 0.00 O HETATM 0 HN22 XGA A 9 1.115 12.017 8.077 1.00 0.00 H new HETATM 0 HN21 XGA A 9 1.721 12.983 6.728 1.00 0.00 H new HETATM 0 H5'2 XGA A 9 12.215 11.958 1.773 1.00 0.00 H new HETATM 0 H5'1 XGA A 9 11.380 10.734 2.708 1.00 0.00 H new HETATM 0 H2'2 XGA A 9 11.117 13.385 5.558 1.00 0.00 H new HETATM 0 H2'1 XGA A 9 10.021 14.746 5.432 1.00 0.00 H new HETATM 0 HP XGA A 9 7.169 9.745 9.214 1.00 0.00 H new HETATM 0 HN1 XGA A 9 2.519 10.699 9.304 1.00 0.00 H new HETATM 0 HD XGA A 9 6.196 12.963 5.506 1.00 0.00 H new HETATM 0 H8 XGA A 9 10.914 11.248 6.338 1.00 0.00 H new HETATM 0 H4' XGA A 9 10.182 12.873 1.805 1.00 0.00 H new HETATM 0 H3' XGA A 9 11.789 14.376 3.412 1.00 0.00 H new HETATM 0 H1' XGA A 9 8.230 13.423 4.643 1.00 0.00 H new ATOM 325 P DT A 10 10.265 16.523 2.744 1.00 0.00 P ATOM 326 OP1 DT A 10 10.015 16.899 1.335 1.00 0.00 O ATOM 327 OP2 DT A 10 11.610 16.720 3.332 1.00 0.00 O ATOM 328 O5' DT A 10 9.194 17.296 3.668 1.00 0.00 O ATOM 329 C5' DT A 10 7.900 16.735 3.909 1.00 0.00 C ATOM 330 C4' DT A 10 7.004 17.683 4.705 1.00 0.00 C ATOM 331 O4' DT A 10 6.396 16.949 5.776 1.00 0.00 O ATOM 332 C3' DT A 10 7.726 18.852 5.377 1.00 0.00 C ATOM 333 O3' DT A 10 6.840 19.963 5.541 1.00 0.00 O ATOM 334 C2' DT A 10 8.099 18.262 6.731 1.00 0.00 C ATOM 335 C1' DT A 10 6.876 17.403 7.046 1.00 0.00 C ATOM 336 N1 DT A 10 7.178 16.219 7.890 1.00 0.00 N ATOM 337 C2 DT A 10 6.180 15.784 8.750 1.00 0.00 C ATOM 338 O2 DT A 10 5.085 16.338 8.828 1.00 0.00 O ATOM 339 N3 DT A 10 6.483 14.680 9.524 1.00 0.00 N ATOM 340 C4 DT A 10 7.675 13.981 9.519 1.00 0.00 C ATOM 341 O4 DT A 10 7.826 13.007 10.250 1.00 0.00 O ATOM 342 C5 DT A 10 8.657 14.499 8.599 1.00 0.00 C ATOM 343 C7 DT A 10 10.025 13.829 8.511 1.00 0.00 C ATOM 344 C6 DT A 10 8.391 15.573 7.828 1.00 0.00 C ATOM 0 H5' DT A 10 8.007 15.796 4.452 1.00 0.00 H new ATOM 0 H5'' DT A 10 7.424 16.500 2.957 1.00 0.00 H new ATOM 0 H4' DT A 10 6.306 18.088 3.973 1.00 0.00 H new ATOM 0 H3' DT A 10 8.577 19.229 4.810 1.00 0.00 H new ATOM 0 H2' DT A 10 9.013 17.670 6.681 1.00 0.00 H new ATOM 0 H2'' DT A 10 8.261 19.034 7.483 1.00 0.00 H new ATOM 0 HO3' DT A 10 7.318 20.701 5.974 1.00 0.00 H new ATOM 0 H1' DT A 10 6.157 17.997 7.611 1.00 0.00 H new ATOM 0 H3 DT A 10 5.757 14.349 10.160 1.00 0.00 H new ATOM 0 H71 DT A 10 10.421 13.941 7.502 1.00 0.00 H new ATOM 0 H72 DT A 10 10.706 14.297 9.222 1.00 0.00 H new ATOM 0 H73 DT A 10 9.927 12.769 8.746 1.00 0.00 H new ATOM 0 H6 DT A 10 9.147 15.934 7.147 1.00 0.00 H new TER 358 DT A 10 HETATM 359 C5' XAE B 11 -1.672 8.094 17.453 1.00 0.00 C HETATM 360 C4' XAE B 11 -2.170 8.914 16.266 1.00 0.00 C HETATM 361 O4' XAE B 11 -1.153 9.848 15.889 1.00 0.00 O HETATM 362 C3' XAE B 11 -2.466 8.104 15.007 1.00 0.00 C HETATM 363 C2' XAE B 11 -1.204 8.232 14.167 1.00 0.00 C HETATM 364 C1' XAE B 11 -0.674 9.601 14.560 1.00 0.00 C HETATM 365 O5' XAE B 11 -2.201 6.766 17.439 1.00 0.00 O HETATM 366 N9 XAE B 11 0.777 9.661 14.554 1.00 0.00 N HETATM 367 C8 XAE B 11 1.620 8.967 15.385 1.00 0.00 C HETATM 368 N7 XAE B 11 2.880 9.241 15.149 1.00 0.00 N HETATM 369 C5 XAE B 11 3.644 11.712 12.431 1.00 0.00 C HETATM 370 C4 XAE B 11 2.316 11.983 12.034 1.00 0.00 C HETATM 371 C6 XAE B 11 4.687 12.391 11.741 1.00 0.00 C HETATM 372 N6 XAE B 11 5.972 12.205 12.042 1.00 0.00 N HETATM 373 N1 XAE B 11 4.376 13.245 10.763 1.00 0.00 N HETATM 374 C2 XAE B 11 3.088 13.423 10.474 1.00 0.00 C HETATM 375 N3 XAE B 11 2.004 12.860 11.029 1.00 0.00 N HETATM 376 C10 XAE B 11 1.555 10.436 13.727 1.00 0.00 C HETATM 377 C11 XAE B 11 2.860 10.150 14.125 1.00 0.00 C HETATM 378 CP XAE B 11 3.922 10.792 13.475 1.00 0.00 C HETATM 379 CD XAE B 11 1.264 11.343 12.692 1.00 0.00 C HETATM 380 O3' XAE B 11 -3.511 8.781 14.303 1.00 0.00 O HETATM 0 HN62 XAE B 11 6.694 12.708 11.527 1.00 0.00 H new HETATM 0 HN61 XAE B 11 6.233 11.559 12.787 1.00 0.00 H new HETATM 0 H5'2 XAE B 11 -0.583 8.052 17.435 1.00 0.00 H new HETATM 0 H5'1 XAE B 11 -1.956 8.589 18.382 1.00 0.00 H new HETATM 0 H2'2 XAE B 11 -0.488 7.442 14.391 1.00 0.00 H new HETATM 0 H2'1 XAE B 11 -1.421 8.173 13.100 1.00 0.00 H new HETATM 0 HP XAE B 11 4.952 10.587 13.768 1.00 0.00 H new HETATM 0 HD XAE B 11 0.231 11.543 12.407 1.00 0.00 H new HETATM 0 H8 XAE B 11 1.282 8.270 16.151 1.00 0.00 H new HETATM 0 H4' XAE B 11 -3.098 9.372 16.608 1.00 0.00 H new HETATM 0 H3' XAE B 11 -2.744 7.071 15.215 1.00 0.00 H new HETATM 0 H2 XAE B 11 2.885 14.129 9.669 1.00 0.00 H new HETATM 0 H1' XAE B 11 -1.017 10.345 13.841 1.00 0.00 H new ATOM 395 P DC B 12 -4.659 7.943 13.542 1.00 0.00 P ATOM 396 OP1 DC B 12 -4.074 6.663 13.085 1.00 0.00 O ATOM 397 OP2 DC B 12 -5.869 7.938 14.394 1.00 0.00 O ATOM 398 O5' DC B 12 -4.966 8.845 12.241 1.00 0.00 O ATOM 399 C5' DC B 12 -4.342 10.122 12.063 1.00 0.00 C ATOM 400 C4' DC B 12 -4.146 10.455 10.586 1.00 0.00 C ATOM 401 O4' DC B 12 -2.739 10.544 10.313 1.00 0.00 O ATOM 402 C3' DC B 12 -4.682 9.404 9.612 1.00 0.00 C ATOM 403 O3' DC B 12 -5.123 10.103 8.443 1.00 0.00 O ATOM 404 C2' DC B 12 -3.452 8.603 9.214 1.00 0.00 C ATOM 405 C1' DC B 12 -2.371 9.676 9.237 1.00 0.00 C ATOM 406 N1 DC B 12 -1.011 9.143 9.498 1.00 0.00 N ATOM 407 C2 DC B 12 0.040 9.691 8.773 1.00 0.00 C ATOM 408 O2 DC B 12 -0.177 10.562 7.931 1.00 0.00 O ATOM 409 N3 DC B 12 1.303 9.243 9.008 1.00 0.00 N ATOM 410 C4 DC B 12 1.533 8.291 9.920 1.00 0.00 C ATOM 411 N4 DC B 12 2.796 7.908 10.115 1.00 0.00 N ATOM 412 C5 DC B 12 0.460 7.715 10.668 1.00 0.00 C ATOM 413 C6 DC B 12 -0.787 8.165 10.430 1.00 0.00 C ATOM 0 H5' DC B 12 -3.376 10.129 12.569 1.00 0.00 H new ATOM 0 H5'' DC B 12 -4.953 10.894 12.532 1.00 0.00 H new ATOM 0 H4' DC B 12 -4.697 11.383 10.431 1.00 0.00 H new ATOM 0 H3' DC B 12 -5.483 8.793 10.028 1.00 0.00 H new ATOM 0 H2' DC B 12 -3.244 7.795 9.916 1.00 0.00 H new ATOM 0 H2'' DC B 12 -3.559 8.149 8.229 1.00 0.00 H new ATOM 0 H1' DC B 12 -2.317 10.163 8.263 1.00 0.00 H new ATOM 0 H41 DC B 12 3.009 7.185 10.802 1.00 0.00 H new ATOM 0 H42 DC B 12 3.548 8.338 9.577 1.00 0.00 H new ATOM 0 H5 DC B 12 0.643 6.943 11.401 1.00 0.00 H new ATOM 0 H6 DC B 12 -1.619 7.750 10.980 1.00 0.00 H new ATOM 425 P DT B 13 -6.299 9.502 7.518 1.00 0.00 P ATOM 426 OP1 DT B 13 -7.545 10.241 7.816 1.00 0.00 O ATOM 427 OP2 DT B 13 -6.272 8.026 7.629 1.00 0.00 O ATOM 428 O5' DT B 13 -5.819 9.902 6.033 1.00 0.00 O ATOM 429 C5' DT B 13 -5.239 11.186 5.774 1.00 0.00 C ATOM 430 C4' DT B 13 -4.336 11.161 4.544 1.00 0.00 C ATOM 431 O4' DT B 13 -3.014 10.771 4.946 1.00 0.00 O ATOM 432 C3' DT B 13 -4.746 10.160 3.462 1.00 0.00 C ATOM 433 O3' DT B 13 -4.413 10.747 2.200 1.00 0.00 O ATOM 434 C2' DT B 13 -3.808 8.979 3.666 1.00 0.00 C ATOM 435 C1' DT B 13 -2.545 9.673 4.161 1.00 0.00 C ATOM 436 N1 DT B 13 -1.690 8.807 5.011 1.00 0.00 N ATOM 437 C2 DT B 13 -0.315 8.955 4.890 1.00 0.00 C ATOM 438 O2 DT B 13 0.198 9.760 4.116 1.00 0.00 O ATOM 439 N3 DT B 13 0.457 8.141 5.698 1.00 0.00 N ATOM 440 C4 DT B 13 -0.016 7.205 6.601 1.00 0.00 C ATOM 441 O4 DT B 13 0.766 6.548 7.281 1.00 0.00 O ATOM 442 C5 DT B 13 -1.453 7.114 6.659 1.00 0.00 C ATOM 443 C7 DT B 13 -2.100 6.099 7.599 1.00 0.00 C ATOM 444 C6 DT B 13 -2.233 7.897 5.886 1.00 0.00 C ATOM 0 H5' DT B 13 -4.663 11.506 6.642 1.00 0.00 H new ATOM 0 H5'' DT B 13 -6.031 11.920 5.629 1.00 0.00 H new ATOM 0 H4' DT B 13 -4.403 12.165 4.126 1.00 0.00 H new ATOM 0 H3' DT B 13 -5.801 9.888 3.500 1.00 0.00 H new ATOM 0 H2' DT B 13 -4.197 8.268 4.395 1.00 0.00 H new ATOM 0 H2'' DT B 13 -3.637 8.427 2.742 1.00 0.00 H new ATOM 0 H1' DT B 13 -1.926 9.961 3.312 1.00 0.00 H new ATOM 0 H3 DT B 13 1.469 8.239 5.621 1.00 0.00 H new ATOM 0 H71 DT B 13 -1.441 5.238 7.715 1.00 0.00 H new ATOM 0 H72 DT B 13 -2.269 6.560 8.572 1.00 0.00 H new ATOM 0 H73 DT B 13 -3.053 5.773 7.182 1.00 0.00 H new ATOM 0 H6 DT B 13 -3.307 7.807 5.956 1.00 0.00 H new HETATM 457 P XGA B 14 -5.318 10.458 0.898 1.00 0.00 P HETATM 458 OP1 XGA B 14 -6.264 11.583 0.733 1.00 0.00 O HETATM 459 OP2 XGA B 14 -5.831 9.071 0.987 1.00 0.00 O HETATM 460 C5' XGA B 14 -2.851 10.702 -0.050 1.00 0.00 C HETATM 461 O5' XGA B 14 -4.249 10.519 -0.307 1.00 0.00 O HETATM 462 C4' XGA B 14 -1.988 10.008 -1.102 1.00 0.00 C HETATM 463 O4' XGA B 14 -1.169 9.026 -0.450 1.00 0.00 O HETATM 464 C3' XGA B 14 -2.769 9.234 -2.157 1.00 0.00 C HETATM 465 C2' XGA B 14 -2.876 7.838 -1.570 1.00 0.00 C HETATM 466 C1' XGA B 14 -1.541 7.694 -0.838 1.00 0.00 C HETATM 467 N9 XGA B 14 -1.607 6.845 0.343 1.00 0.00 N HETATM 468 C8 XGA B 14 -2.728 6.568 1.090 1.00 0.00 C HETATM 469 N7 XGA B 14 -2.461 5.786 2.107 1.00 0.00 N HETATM 470 C4 XGA B 14 1.646 5.307 1.465 1.00 0.00 C HETATM 471 C5 XGA B 14 1.086 4.649 2.579 1.00 0.00 C HETATM 472 N3 XGA B 14 2.950 5.223 1.166 1.00 0.00 N HETATM 473 C2 XGA B 14 3.723 4.470 1.985 1.00 0.00 C HETATM 474 N2 XGA B 14 5.045 4.373 1.698 1.00 0.00 N HETATM 475 N1 XGA B 14 3.266 3.810 3.068 1.00 0.00 N HETATM 476 C6 XGA B 14 1.924 3.885 3.394 1.00 0.00 C HETATM 477 O6 XGA B 14 1.494 3.296 4.384 1.00 0.00 O HETATM 478 C10 XGA B 14 -0.545 6.183 0.933 1.00 0.00 C HETATM 479 C11 XGA B 14 -1.118 5.536 2.027 1.00 0.00 C HETATM 480 CP XGA B 14 -0.302 4.760 2.863 1.00 0.00 C HETATM 481 CD XGA B 14 0.829 6.082 0.637 1.00 0.00 C HETATM 482 O3' XGA B 14 -1.941 9.141 -3.320 1.00 0.00 O HETATM 0 HN22 XGA B 14 5.656 3.814 2.293 1.00 0.00 H new HETATM 0 HN21 XGA B 14 5.428 4.859 0.887 1.00 0.00 H new HETATM 0 H5'2 XGA B 14 -2.620 11.767 -0.035 1.00 0.00 H new HETATM 0 H5'1 XGA B 14 -2.608 10.309 0.937 1.00 0.00 H new HETATM 0 H2'2 XGA B 14 -3.724 7.745 -0.892 1.00 0.00 H new HETATM 0 H2'1 XGA B 14 -3.001 7.080 -2.343 1.00 0.00 H new HETATM 0 HP XGA B 14 -0.729 4.246 3.724 1.00 0.00 H new HETATM 0 HN1 XGA B 14 3.905 3.260 3.642 1.00 0.00 H new HETATM 0 HD XGA B 14 1.249 6.601 -0.225 1.00 0.00 H new HETATM 0 H8 XGA B 14 -3.722 6.954 0.863 1.00 0.00 H new HETATM 0 H4' XGA B 14 -1.437 10.810 -1.592 1.00 0.00 H new HETATM 0 H3' XGA B 14 -3.730 9.683 -2.408 1.00 0.00 H new HETATM 0 H1' XGA B 14 -0.819 7.214 -1.498 1.00 0.00 H new ATOM 496 P DC B 15 -2.601 9.030 -4.788 1.00 0.00 P ATOM 497 OP1 DC B 15 -2.584 10.375 -5.405 1.00 0.00 O ATOM 498 OP2 DC B 15 -3.878 8.290 -4.669 1.00 0.00 O ATOM 499 O5' DC B 15 -1.553 8.099 -5.579 1.00 0.00 O ATOM 500 C5' DC B 15 -0.147 8.339 -5.485 1.00 0.00 C ATOM 501 C4' DC B 15 0.664 7.104 -5.867 1.00 0.00 C ATOM 502 O4' DC B 15 0.831 6.283 -4.701 1.00 0.00 O ATOM 503 C3' DC B 15 0.005 6.199 -6.908 1.00 0.00 C ATOM 504 O3' DC B 15 1.063 5.589 -7.652 1.00 0.00 O ATOM 505 C2' DC B 15 -0.654 5.100 -6.087 1.00 0.00 C ATOM 506 C1' DC B 15 0.307 4.968 -4.914 1.00 0.00 C ATOM 507 N1 DC B 15 -0.359 4.518 -3.670 1.00 0.00 N ATOM 508 C2 DC B 15 0.256 3.511 -2.939 1.00 0.00 C ATOM 509 O2 DC B 15 1.315 3.017 -3.325 1.00 0.00 O ATOM 510 N3 DC B 15 -0.334 3.088 -1.789 1.00 0.00 N ATOM 511 C4 DC B 15 -1.483 3.628 -1.368 1.00 0.00 C ATOM 512 N4 DC B 15 -2.005 3.172 -0.229 1.00 0.00 N ATOM 513 C5 DC B 15 -2.124 4.663 -2.113 1.00 0.00 C ATOM 514 C6 DC B 15 -1.533 5.077 -3.251 1.00 0.00 C ATOM 0 H5' DC B 15 0.104 8.638 -4.467 1.00 0.00 H new ATOM 0 H5'' DC B 15 0.125 9.169 -6.137 1.00 0.00 H new ATOM 0 H4' DC B 15 1.592 7.493 -6.285 1.00 0.00 H new ATOM 0 H3' DC B 15 -0.689 6.722 -7.566 1.00 0.00 H new ATOM 0 H2' DC B 15 -1.658 5.377 -5.764 1.00 0.00 H new ATOM 0 H2'' DC B 15 -0.745 4.170 -6.648 1.00 0.00 H new ATOM 0 H1' DC B 15 1.067 4.222 -5.146 1.00 0.00 H new ATOM 0 H41 DC B 15 -2.880 3.561 0.122 1.00 0.00 H new ATOM 0 H42 DC B 15 -1.529 2.435 0.291 1.00 0.00 H new ATOM 0 H5 DC B 15 -3.052 5.100 -1.776 1.00 0.00 H new ATOM 0 H6 DC B 15 -1.992 5.859 -3.838 1.00 0.00 H new ATOM 526 P DG B 16 0.820 5.057 -9.153 1.00 0.00 P ATOM 527 OP1 DG B 16 1.502 5.981 -10.088 1.00 0.00 O ATOM 528 OP2 DG B 16 -0.622 4.769 -9.320 1.00 0.00 O ATOM 529 O5' DG B 16 1.617 3.658 -9.159 1.00 0.00 O ATOM 530 C5' DG B 16 2.756 3.465 -8.312 1.00 0.00 C ATOM 531 C4' DG B 16 3.074 1.986 -8.118 1.00 0.00 C ATOM 532 O4' DG B 16 2.601 1.568 -6.828 1.00 0.00 O ATOM 533 C3' DG B 16 2.399 1.045 -9.117 1.00 0.00 C ATOM 534 O3' DG B 16 3.287 -0.061 -9.298 1.00 0.00 O ATOM 535 C2' DG B 16 1.185 0.522 -8.364 1.00 0.00 C ATOM 536 C1' DG B 16 1.731 0.438 -6.948 1.00 0.00 C ATOM 537 N9 DG B 16 0.687 0.524 -5.906 1.00 0.00 N ATOM 538 C8 DG B 16 -0.630 0.897 -6.023 1.00 0.00 C ATOM 539 N7 DG B 16 -1.288 0.852 -4.898 1.00 0.00 N ATOM 540 C5 DG B 16 -0.345 0.421 -3.972 1.00 0.00 C ATOM 541 C6 DG B 16 -0.476 0.183 -2.576 1.00 0.00 C ATOM 542 O6 DG B 16 -1.475 0.315 -1.873 1.00 0.00 O ATOM 543 N1 DG B 16 0.718 -0.243 -2.015 1.00 0.00 N ATOM 544 C2 DG B 16 1.897 -0.419 -2.707 1.00 0.00 C ATOM 545 N2 DG B 16 2.960 -0.825 -2.009 1.00 0.00 N ATOM 546 N3 DG B 16 2.029 -0.198 -4.015 1.00 0.00 N ATOM 547 C4 DG B 16 0.870 0.218 -4.580 1.00 0.00 C ATOM 0 H5' DG B 16 2.570 3.927 -7.342 1.00 0.00 H new ATOM 0 H5'' DG B 16 3.620 3.969 -8.745 1.00 0.00 H new ATOM 0 H4' DG B 16 4.154 1.916 -8.248 1.00 0.00 H new ATOM 0 H3' DG B 16 2.152 1.513 -10.070 1.00 0.00 H new ATOM 0 H2' DG B 16 0.333 1.198 -8.437 1.00 0.00 H new ATOM 0 H2'' DG B 16 0.856 -0.448 -8.737 1.00 0.00 H new ATOM 0 H1' DG B 16 2.219 -0.525 -6.796 1.00 0.00 H new ATOM 0 H8 DG B 16 -1.078 1.199 -6.958 1.00 0.00 H new ATOM 0 H1 DG B 16 0.725 -0.441 -1.014 1.00 0.00 H new ATOM 0 H21 DG B 16 3.854 -0.969 -2.479 1.00 0.00 H new ATOM 0 H22 DG B 16 2.878 -0.991 -1.006 1.00 0.00 H new HETATM 559 P XTY B 17 3.738 -0.533 -10.769 1.00 0.00 P HETATM 560 OP1 XTY B 17 2.763 -0.002 -11.749 1.00 0.00 O HETATM 561 OP2 XTY B 17 5.179 -0.241 -10.929 1.00 0.00 O HETATM 562 C5' XTY B 17 3.253 -2.777 -9.451 1.00 0.00 C HETATM 563 C4' XTY B 17 2.404 -4.025 -9.663 1.00 0.00 C HETATM 564 O4' XTY B 17 1.397 -4.087 -8.649 1.00 0.00 O HETATM 565 C3' XTY B 17 1.651 -4.059 -10.992 1.00 0.00 C HETATM 566 C2' XTY B 17 0.243 -3.609 -10.616 1.00 0.00 C HETATM 567 C1' XTY B 17 0.092 -4.207 -9.219 1.00 0.00 C HETATM 568 O5' XTY B 17 3.552 -2.131 -10.695 1.00 0.00 O HETATM 569 C2 XTY B 17 -0.456 -5.553 -5.387 1.00 0.00 C HETATM 570 O2 XTY B 17 0.126 -6.566 -5.012 1.00 0.00 O HETATM 571 N3 XTY B 17 -1.294 -4.852 -4.538 1.00 0.00 N HETATM 572 C4 XTY B 17 -1.982 -3.705 -4.887 1.00 0.00 C HETATM 573 O4 XTY B 17 -2.706 -3.137 -4.076 1.00 0.00 O HETATM 574 C5 XTY B 17 -1.821 -3.220 -6.189 1.00 0.00 C HETATM 575 C6 XTY B 17 -0.971 -3.918 -7.077 1.00 0.00 C HETATM 576 N XTY B 17 -0.295 -5.072 -6.683 1.00 0.00 N HETATM 577 CP XTY B 17 -2.496 -2.053 -6.608 1.00 0.00 C HETATM 578 CD XTY B 17 -1.470 -2.285 -8.804 1.00 0.00 C HETATM 579 C8 XTY B 17 -0.782 -3.461 -8.397 1.00 0.00 C HETATM 580 C7 XTY B 17 -2.316 -1.592 -7.915 1.00 0.00 C HETATM 581 C7A XTY B 17 -3.036 -0.329 -8.379 1.00 0.00 C HETATM 582 O3' XTY B 17 1.582 -5.433 -11.404 1.00 0.00 O HETATM 0 H7A3 XTY B 17 -4.113 -0.472 -8.294 1.00 0.00 H new HETATM 0 H7A2 XTY B 17 -2.732 0.513 -7.757 1.00 0.00 H new HETATM 0 H7A1 XTY B 17 -2.778 -0.124 -9.418 1.00 0.00 H new HETATM 0 H5'2 XTY B 17 2.726 -2.083 -8.796 1.00 0.00 H new HETATM 0 H5'1 XTY B 17 4.181 -3.048 -8.947 1.00 0.00 H new HETATM 0 H2'2 XTY B 17 0.148 -2.523 -10.609 1.00 0.00 H new HETATM 0 H2'1 XTY B 17 -0.508 -3.990 -11.308 1.00 0.00 H new HETATM 0 HP XTY B 17 -3.150 -1.518 -5.920 1.00 0.00 H new HETATM 0 HN3 XTY B 17 -1.412 -5.206 -3.589 1.00 0.00 H new HETATM 0 HN XTY B 17 0.313 -5.560 -7.340 1.00 0.00 H new HETATM 0 HD XTY B 17 -1.341 -1.913 -9.821 1.00 0.00 H new HETATM 0 H4' XTY B 17 3.110 -4.856 -9.639 1.00 0.00 H new HETATM 0 H3' XTY B 17 2.104 -3.454 -11.777 1.00 0.00 H new HETATM 0 H1' XTY B 17 -0.305 -5.220 -9.285 1.00 0.00 H new ATOM 597 P DA B 18 2.581 -6.015 -12.537 1.00 0.00 P ATOM 598 OP1 DA B 18 3.537 -4.947 -12.910 1.00 0.00 O ATOM 599 OP2 DA B 18 1.761 -6.664 -13.583 1.00 0.00 O ATOM 600 O5' DA B 18 3.393 -7.170 -11.750 1.00 0.00 O ATOM 601 C5' DA B 18 4.410 -6.826 -10.801 1.00 0.00 C ATOM 602 C4' DA B 18 4.504 -7.842 -9.663 1.00 0.00 C ATOM 603 O4' DA B 18 3.408 -7.613 -8.754 1.00 0.00 O ATOM 604 C3' DA B 18 4.344 -9.298 -10.075 1.00 0.00 C ATOM 605 O3' DA B 18 4.925 -10.078 -9.024 1.00 0.00 O ATOM 606 C2' DA B 18 2.847 -9.520 -10.017 1.00 0.00 C ATOM 607 C1' DA B 18 2.474 -8.711 -8.783 1.00 0.00 C ATOM 608 N9 DA B 18 1.100 -8.181 -8.870 1.00 0.00 N ATOM 609 C8 DA B 18 0.538 -7.444 -9.877 1.00 0.00 C ATOM 610 N7 DA B 18 -0.713 -7.149 -9.676 1.00 0.00 N ATOM 611 C5 DA B 18 -0.998 -7.733 -8.452 1.00 0.00 C ATOM 612 C6 DA B 18 -2.164 -7.784 -7.679 1.00 0.00 C ATOM 613 N6 DA B 18 -3.312 -7.223 -8.048 1.00 0.00 N ATOM 614 N1 DA B 18 -2.115 -8.443 -6.514 1.00 0.00 N ATOM 615 C2 DA B 18 -0.978 -9.013 -6.145 1.00 0.00 C ATOM 616 N3 DA B 18 0.188 -9.040 -6.777 1.00 0.00 N ATOM 617 C4 DA B 18 0.099 -8.367 -7.946 1.00 0.00 C ATOM 0 H5' DA B 18 4.201 -5.839 -10.388 1.00 0.00 H new ATOM 0 H5'' DA B 18 5.372 -6.762 -11.309 1.00 0.00 H new ATOM 0 H4' DA B 18 5.502 -7.698 -9.248 1.00 0.00 H new ATOM 0 H3' DA B 18 4.786 -9.544 -11.041 1.00 0.00 H new ATOM 0 H2' DA B 18 2.343 -9.159 -10.913 1.00 0.00 H new ATOM 0 H2'' DA B 18 2.591 -10.574 -9.910 1.00 0.00 H new ATOM 0 H1' DA B 18 2.515 -9.332 -7.888 1.00 0.00 H new ATOM 0 H8 DA B 18 1.083 -7.136 -10.757 1.00 0.00 H new ATOM 0 H61 DA B 18 -4.131 -7.292 -7.444 1.00 0.00 H new ATOM 0 H62 DA B 18 -3.374 -6.724 -8.935 1.00 0.00 H new ATOM 0 H2 DA B 18 -1.004 -9.528 -5.196 1.00 0.00 H new HETATM 629 P XCS B 19 5.872 -11.339 -9.347 1.00 0.00 P HETATM 630 OP2 XCS B 19 6.976 -11.353 -8.360 1.00 0.00 O HETATM 631 C6 XCS B 19 -0.908 -11.490 -10.036 1.00 0.00 C HETATM 632 C2 XCS B 19 -2.306 -11.525 -8.082 1.00 0.00 C HETATM 633 O2 XCS B 19 -2.591 -12.026 -6.997 1.00 0.00 O HETATM 634 N3 XCS B 19 -3.024 -10.470 -8.583 1.00 0.00 N HETATM 635 C4 XCS B 19 -2.722 -9.915 -9.770 1.00 0.00 C HETATM 636 N4 XCS B 19 -3.466 -8.890 -10.181 1.00 0.00 N HETATM 637 C5 XCS B 19 -1.637 -10.414 -10.553 1.00 0.00 C HETATM 638 OP1 XCS B 19 6.178 -11.334 -10.795 1.00 0.00 O HETATM 639 O5' XCS B 19 4.908 -12.592 -9.040 1.00 0.00 O HETATM 640 C5' XCS B 19 3.718 -12.433 -8.256 1.00 0.00 C HETATM 641 C4' XCS B 19 2.640 -13.435 -8.666 1.00 0.00 C HETATM 642 O4' XCS B 19 1.401 -12.747 -8.922 1.00 0.00 O HETATM 643 C1' XCS B 19 0.861 -13.138 -10.193 1.00 0.00 C HETATM 644 ND XCS B 19 -1.235 -12.044 -8.814 1.00 0.00 N HETATM 645 CP XCS B 19 -1.310 -9.844 -11.802 1.00 0.00 C HETATM 646 CD XCS B 19 0.500 -11.455 -12.014 1.00 0.00 C HETATM 647 C8 XCS B 19 0.176 -12.035 -10.755 1.00 0.00 C HETATM 648 C7 XCS B 19 -0.240 -10.371 -12.528 1.00 0.00 C HETATM 649 C7A XCS B 19 0.122 -9.777 -13.886 1.00 0.00 C HETATM 650 C2' XCS B 19 2.100 -13.508 -11.002 1.00 0.00 C HETATM 651 C3' XCS B 19 2.940 -14.210 -9.950 1.00 0.00 C HETATM 652 O3' XCS B 19 2.397 -15.522 -9.781 1.00 0.00 O HETATM 0 HN42 XCS B 19 -3.268 -8.443 -11.076 1.00 0.00 H new HETATM 0 HN41 XCS B 19 -4.234 -8.552 -9.601 1.00 0.00 H new HETATM 0 H7A3 XCS B 19 -0.728 -9.870 -14.562 1.00 0.00 H new HETATM 0 H7A2 XCS B 19 0.377 -8.724 -13.766 1.00 0.00 H new HETATM 0 H7A1 XCS B 19 0.976 -10.312 -14.301 1.00 0.00 H new HETATM 0 H5'2 XCS B 19 3.956 -12.565 -7.200 1.00 0.00 H new HETATM 0 H5'1 XCS B 19 3.337 -11.419 -8.373 1.00 0.00 H new HETATM 0 H2'2 XCS B 19 1.863 -14.161 -11.842 1.00 0.00 H new HETATM 0 H2'1 XCS B 19 2.601 -12.631 -11.411 1.00 0.00 H new HETATM 0 HP XCS B 19 -1.884 -9.005 -12.194 1.00 0.00 H new HETATM 0 HND XCS B 19 -0.697 -12.829 -8.447 1.00 0.00 H new HETATM 0 HD XCS B 19 1.334 -11.856 -12.590 1.00 0.00 H new HETATM 0 H4' XCS B 19 2.594 -14.134 -7.831 1.00 0.00 H new HETATM 0 H3' XCS B 19 4.000 -14.258 -10.199 1.00 0.00 H new HETATM 0 H1' XCS B 19 0.146 -13.960 -10.150 1.00 0.00 H new ATOM 668 P DA B 20 3.314 -16.728 -9.238 1.00 0.00 P ATOM 669 OP1 DA B 20 3.578 -17.651 -10.364 1.00 0.00 O ATOM 670 OP2 DA B 20 4.444 -16.149 -8.478 1.00 0.00 O ATOM 671 O5' DA B 20 2.334 -17.471 -8.197 1.00 0.00 O ATOM 672 C5' DA B 20 1.617 -16.722 -7.208 1.00 0.00 C ATOM 673 C4' DA B 20 0.267 -17.355 -6.884 1.00 0.00 C ATOM 674 O4' DA B 20 -0.766 -16.612 -7.551 1.00 0.00 O ATOM 675 C3' DA B 20 0.104 -18.804 -7.357 1.00 0.00 C ATOM 676 O3' DA B 20 -0.713 -19.539 -6.441 1.00 0.00 O ATOM 677 C2' DA B 20 -0.609 -18.637 -8.693 1.00 0.00 C ATOM 678 C1' DA B 20 -1.533 -17.468 -8.398 1.00 0.00 C ATOM 679 N9 DA B 20 -1.924 -16.721 -9.611 1.00 0.00 N ATOM 680 C8 DA B 20 -1.175 -16.422 -10.722 1.00 0.00 C ATOM 681 N7 DA B 20 -1.829 -15.744 -11.627 1.00 0.00 N ATOM 682 C5 DA B 20 -3.094 -15.586 -11.074 1.00 0.00 C ATOM 683 C6 DA B 20 -4.262 -14.955 -11.532 1.00 0.00 C ATOM 684 N6 DA B 20 -4.353 -14.341 -12.712 1.00 0.00 N ATOM 685 N1 DA B 20 -5.341 -14.981 -10.735 1.00 0.00 N ATOM 686 C2 DA B 20 -5.261 -15.597 -9.562 1.00 0.00 C ATOM 687 N3 DA B 20 -4.230 -16.223 -9.019 1.00 0.00 N ATOM 688 C4 DA B 20 -3.164 -16.177 -9.845 1.00 0.00 C ATOM 0 H5' DA B 20 1.464 -15.703 -7.564 1.00 0.00 H new ATOM 0 H5'' DA B 20 2.215 -16.656 -6.299 1.00 0.00 H new ATOM 0 H4' DA B 20 0.201 -17.340 -5.796 1.00 0.00 H new ATOM 0 H3' DA B 20 1.045 -19.350 -7.430 1.00 0.00 H new ATOM 0 H2' DA B 20 0.085 -18.417 -9.504 1.00 0.00 H new ATOM 0 H2'' DA B 20 -1.160 -19.533 -8.979 1.00 0.00 H new ATOM 0 HO3' DA B 20 -0.810 -20.462 -6.757 1.00 0.00 H new ATOM 0 H1' DA B 20 -2.463 -17.822 -7.953 1.00 0.00 H new ATOM 0 H8 DA B 20 -0.143 -16.719 -10.837 1.00 0.00 H new ATOM 0 H61 DA B 20 -5.229 -13.900 -12.991 1.00 0.00 H new ATOM 0 H62 DA B 20 -3.546 -14.313 -13.336 1.00 0.00 H new ATOM 0 H2 DA B 20 -6.163 -15.586 -8.968 1.00 0.00 H new TER 701 DA B 20