USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 264 hydrogens (15 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 NoAdj-H: A 6 DG H21 : A 6 DG N2 : A 25 BPJ C1 :(H bumps) USER MOD NoAdj-H: A 25 BPJH12A : A 25 BPJ C1 : A 6 DG N2 :(H bumps) USER MOD Single : A 1 DC O5' : rot 26:sc= 0.00656 USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.49 (180deg=-1.49) USER MOD Single : A 8 DT C7 :methyl 150:sc= -0.544 (180deg=-0.544) USER MOD Single : A 11 DC O3' : rot 180:sc= 0 USER MOD Single : A 25 BPJ O2 : rot 147:sc= 0.849 USER MOD Single : A 25 BPJ O3 : rot 180:sc= 0 USER MOD Single : A 25 BPJ O4 : rot -150:sc= -0.265 USER MOD Single : B 12 DG O5' : rot 180:sc= 0 USER MOD Single : B 14 DT C7 :methyl 150:sc= -1.18 (180deg=-1.18) USER MOD Single : B 20 DT C7 :methyl 150:sc= -1.13 (180deg=-1.13) USER MOD Single : B 22 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 12.665 -17.844 4.737 1.00 0.33 O ATOM 2 C5' DC A 1 12.288 -18.815 3.753 1.00 0.30 C ATOM 3 C4' DC A 1 10.934 -18.494 3.140 1.00 0.27 C ATOM 4 O4' DC A 1 9.959 -18.420 4.179 1.00 0.23 O ATOM 5 C3' DC A 1 10.947 -17.163 2.423 1.00 0.25 C ATOM 6 O3' DC A 1 11.262 -17.411 1.035 1.00 0.28 O ATOM 7 C2' DC A 1 9.515 -16.772 2.616 1.00 0.21 C ATOM 8 C1' DC A 1 8.870 -17.695 3.613 1.00 0.20 C ATOM 9 N1 DC A 1 8.194 -16.973 4.690 1.00 0.18 N ATOM 10 C2 DC A 1 6.863 -17.216 4.958 1.00 0.16 C ATOM 11 O2 DC A 1 6.208 -18.016 4.300 1.00 0.17 O ATOM 12 N3 DC A 1 6.278 -16.535 5.973 1.00 0.14 N ATOM 13 C4 DC A 1 6.973 -15.650 6.691 1.00 0.14 C ATOM 14 N4 DC A 1 6.336 -15.027 7.675 1.00 0.14 N ATOM 15 C5 DC A 1 8.358 -15.394 6.407 1.00 0.15 C ATOM 16 C6 DC A 1 8.906 -16.085 5.403 1.00 0.16 C ATOM 0 H5' DC A 1 12.256 -19.804 4.210 1.00 0.30 H new ATOM 0 H5'' DC A 1 13.044 -18.851 2.968 1.00 0.30 H new ATOM 0 H4' DC A 1 10.699 -19.281 2.423 1.00 0.27 H new ATOM 0 H3' DC A 1 11.658 -16.410 2.763 1.00 0.25 H new ATOM 0 H2' DC A 1 9.453 -15.742 2.966 1.00 0.21 H new ATOM 0 H2'' DC A 1 8.984 -16.818 1.665 1.00 0.21 H new ATOM 0 HO5' DC A 1 11.860 -17.432 5.116 1.00 0.33 H new ATOM 0 H1' DC A 1 8.116 -18.313 3.127 1.00 0.20 H new ATOM 0 H41 DC A 1 6.829 -14.343 8.249 1.00 0.14 H new ATOM 0 H42 DC A 1 5.354 -15.232 7.857 1.00 0.14 H new ATOM 0 H5 DC A 1 8.929 -14.677 6.978 1.00 0.15 H new ATOM 0 H6 DC A 1 9.946 -15.926 5.159 1.00 0.16 H new ATOM 29 P DC A 2 10.724 -16.570 -0.248 1.00 0.28 P ATOM 30 OP1 DC A 2 11.292 -17.188 -1.467 1.00 0.36 O ATOM 31 OP2 DC A 2 10.952 -15.131 0.023 1.00 0.30 O ATOM 32 O5' DC A 2 9.122 -16.837 -0.233 1.00 0.23 O ATOM 33 C5' DC A 2 8.471 -18.079 -0.584 1.00 0.21 C ATOM 34 C4' DC A 2 6.937 -17.943 -0.494 1.00 0.18 C ATOM 35 O4' DC A 2 6.503 -17.618 0.846 1.00 0.16 O ATOM 36 C3' DC A 2 6.416 -16.843 -1.433 1.00 0.15 C ATOM 37 O3' DC A 2 5.465 -17.361 -2.384 1.00 0.14 O ATOM 38 C2' DC A 2 5.820 -15.860 -0.480 1.00 0.15 C ATOM 39 C1' DC A 2 5.441 -16.651 0.768 1.00 0.15 C ATOM 40 N1 DC A 2 5.499 -15.772 1.936 1.00 0.14 N ATOM 41 C2 DC A 2 4.443 -15.618 2.832 1.00 0.12 C ATOM 42 O2 DC A 2 3.377 -16.215 2.714 1.00 0.13 O ATOM 43 N3 DC A 2 4.613 -14.760 3.876 1.00 0.12 N ATOM 44 C4 DC A 2 5.761 -14.090 4.026 1.00 0.13 C ATOM 45 N4 DC A 2 5.893 -13.260 5.054 1.00 0.13 N ATOM 46 C5 DC A 2 6.821 -14.271 3.091 1.00 0.14 C ATOM 47 C6 DC A 2 6.637 -15.104 2.095 1.00 0.15 C ATOM 0 H5' DC A 2 8.809 -18.872 0.083 1.00 0.21 H new ATOM 0 H5'' DC A 2 8.755 -18.370 -1.595 1.00 0.21 H new ATOM 0 H4' DC A 2 6.533 -18.912 -0.787 1.00 0.18 H new ATOM 0 H3' DC A 2 7.186 -16.397 -2.063 1.00 0.15 H new ATOM 0 H2' DC A 2 6.532 -15.071 -0.239 1.00 0.15 H new ATOM 0 H2'' DC A 2 4.945 -15.377 -0.915 1.00 0.15 H new ATOM 0 H1' DC A 2 4.442 -17.086 0.734 1.00 0.15 H new ATOM 0 H41 DC A 2 6.762 -12.742 5.183 1.00 0.13 H new ATOM 0 H42 DC A 2 5.125 -13.141 5.715 1.00 0.13 H new ATOM 0 H5 DC A 2 7.753 -13.736 3.200 1.00 0.14 H new ATOM 0 H6 DC A 2 7.435 -15.252 1.382 1.00 0.15 H new ATOM 59 P DA A 3 4.633 -16.453 -3.435 1.00 0.12 P ATOM 60 OP1 DA A 3 4.040 -17.358 -4.447 1.00 0.13 O ATOM 61 OP2 DA A 3 5.505 -15.339 -3.873 1.00 0.14 O ATOM 62 O5' DA A 3 3.434 -15.827 -2.540 1.00 0.13 O ATOM 63 C5' DA A 3 2.217 -16.534 -2.224 1.00 0.12 C ATOM 64 C4' DA A 3 1.214 -15.694 -1.457 1.00 0.12 C ATOM 65 O4' DA A 3 1.690 -15.310 -0.149 1.00 0.12 O ATOM 66 C3' DA A 3 0.807 -14.424 -2.204 1.00 0.14 C ATOM 67 O3' DA A 3 -0.579 -14.426 -2.585 1.00 0.15 O ATOM 68 C2' DA A 3 1.141 -13.381 -1.178 1.00 0.12 C ATOM 69 C1' DA A 3 1.073 -14.056 0.165 1.00 0.12 C ATOM 70 N9 DA A 3 1.880 -13.344 1.179 1.00 0.11 N ATOM 71 C8 DA A 3 3.163 -12.948 1.042 1.00 0.12 C ATOM 72 N7 DA A 3 3.684 -12.350 2.127 1.00 0.13 N ATOM 73 C5 DA A 3 2.651 -12.369 3.003 1.00 0.13 C ATOM 74 C6 DA A 3 2.539 -11.901 4.315 1.00 0.14 C ATOM 75 N6 DA A 3 3.551 -11.323 4.951 1.00 0.15 N ATOM 76 N1 DA A 3 1.366 -12.062 4.939 1.00 0.14 N ATOM 77 C2 DA A 3 0.363 -12.656 4.300 1.00 0.13 C ATOM 78 N3 DA A 3 0.343 -13.142 3.064 1.00 0.13 N ATOM 79 C4 DA A 3 1.539 -12.964 2.459 1.00 0.13 C ATOM 0 H5' DA A 3 2.462 -17.420 -1.638 1.00 0.12 H new ATOM 0 H5'' DA A 3 1.757 -16.881 -3.149 1.00 0.12 H new ATOM 0 H4' DA A 3 0.346 -16.344 -1.351 1.00 0.12 H new ATOM 0 H3' DA A 3 1.308 -14.279 -3.161 1.00 0.14 H new ATOM 0 H2' DA A 3 2.135 -12.970 -1.354 1.00 0.12 H new ATOM 0 H2'' DA A 3 0.438 -12.549 -1.229 1.00 0.12 H new ATOM 0 H1' DA A 3 0.068 -14.110 0.584 1.00 0.12 H new ATOM 0 H8 DA A 3 3.726 -13.100 0.133 1.00 0.12 H new ATOM 0 H61 DA A 3 3.430 -10.994 5.909 1.00 0.15 H new ATOM 0 H62 DA A 3 4.449 -11.208 4.482 1.00 0.15 H new ATOM 0 H2 DA A 3 -0.556 -12.757 4.859 1.00 0.13 H new ATOM 91 P DT A 4 -1.306 -13.175 -3.314 1.00 0.16 P ATOM 92 OP1 DT A 4 -2.359 -13.710 -4.207 1.00 0.22 O ATOM 93 OP2 DT A 4 -0.264 -12.277 -3.864 1.00 0.21 O ATOM 94 O5' DT A 4 -2.017 -12.414 -2.083 1.00 0.15 O ATOM 95 C5' DT A 4 -3.181 -12.957 -1.434 1.00 0.16 C ATOM 96 C4' DT A 4 -3.777 -12.007 -0.394 1.00 0.14 C ATOM 97 O4' DT A 4 -2.835 -11.744 0.667 1.00 0.13 O ATOM 98 C3' DT A 4 -4.183 -10.658 -1.005 1.00 0.13 C ATOM 99 O3' DT A 4 -5.328 -10.089 -0.346 1.00 0.12 O ATOM 100 C2' DT A 4 -2.932 -9.876 -0.688 1.00 0.14 C ATOM 101 C1' DT A 4 -2.611 -10.331 0.731 1.00 0.12 C ATOM 102 N1 DT A 4 -1.232 -10.065 1.206 1.00 0.12 N ATOM 103 C2 DT A 4 -1.058 -9.710 2.536 1.00 0.14 C ATOM 104 O2 DT A 4 -1.979 -9.587 3.336 1.00 0.16 O ATOM 105 N3 DT A 4 0.236 -9.484 2.936 1.00 0.14 N ATOM 106 C4 DT A 4 1.357 -9.576 2.145 1.00 0.13 C ATOM 107 O4 DT A 4 2.458 -9.351 2.630 1.00 0.15 O ATOM 108 C5 DT A 4 1.085 -9.948 0.780 1.00 0.13 C ATOM 109 C7 DT A 4 2.193 -10.095 -0.252 1.00 0.15 C ATOM 110 C6 DT A 4 -0.159 -10.173 0.369 1.00 0.12 C ATOM 0 H5' DT A 4 -2.916 -13.898 -0.951 1.00 0.16 H new ATOM 0 H5'' DT A 4 -3.937 -13.186 -2.185 1.00 0.16 H new ATOM 0 H4' DT A 4 -4.663 -12.508 -0.004 1.00 0.14 H new ATOM 0 H3' DT A 4 -4.476 -10.693 -2.054 1.00 0.13 H new ATOM 0 H2' DT A 4 -2.123 -10.106 -1.381 1.00 0.14 H new ATOM 0 H2'' DT A 4 -3.101 -8.800 -0.741 1.00 0.14 H new ATOM 0 H1' DT A 4 -3.223 -9.778 1.443 1.00 0.12 H new ATOM 0 H3 DT A 4 0.379 -9.223 3.912 1.00 0.14 H new ATOM 0 H71 DT A 4 1.905 -10.843 -0.991 1.00 0.15 H new ATOM 0 H72 DT A 4 2.357 -9.139 -0.749 1.00 0.15 H new ATOM 0 H73 DT A 4 3.112 -10.409 0.243 1.00 0.15 H new ATOM 0 H6 DT A 4 -0.326 -10.450 -0.661 1.00 0.12 H new ATOM 123 P DC A 5 -5.954 -8.657 -0.771 1.00 0.13 P ATOM 124 OP1 DC A 5 -6.605 -8.832 -2.091 1.00 0.18 O ATOM 125 OP2 DC A 5 -4.921 -7.608 -0.603 1.00 0.14 O ATOM 126 O5' DC A 5 -7.122 -8.409 0.317 1.00 0.14 O ATOM 127 C5' DC A 5 -7.032 -8.558 1.749 1.00 0.14 C ATOM 128 C4' DC A 5 -6.156 -7.539 2.497 1.00 0.14 C ATOM 129 O4' DC A 5 -4.730 -7.690 2.316 1.00 0.14 O ATOM 130 C3' DC A 5 -6.497 -6.073 2.184 1.00 0.17 C ATOM 131 O3' DC A 5 -7.184 -5.443 3.277 1.00 0.19 O ATOM 132 C2' DC A 5 -5.108 -5.494 1.874 1.00 0.17 C ATOM 133 C1' DC A 5 -4.116 -6.412 2.581 1.00 0.15 C ATOM 134 N1 DC A 5 -2.720 -6.421 2.062 1.00 0.14 N ATOM 135 C2 DC A 5 -1.653 -6.215 2.939 1.00 0.13 C ATOM 136 O2 DC A 5 -1.812 -5.967 4.132 1.00 0.15 O ATOM 137 N3 DC A 5 -0.388 -6.272 2.447 1.00 0.13 N ATOM 138 C4 DC A 5 -0.163 -6.517 1.154 1.00 0.14 C ATOM 139 N4 DC A 5 1.092 -6.571 0.721 1.00 0.16 N ATOM 140 C5 DC A 5 -1.244 -6.724 0.243 1.00 0.16 C ATOM 141 C6 DC A 5 -2.491 -6.664 0.745 1.00 0.15 C ATOM 0 H5' DC A 5 -6.651 -9.556 1.964 1.00 0.14 H new ATOM 0 H5'' DC A 5 -8.040 -8.506 2.160 1.00 0.14 H new ATOM 0 H4' DC A 5 -6.404 -7.776 3.532 1.00 0.14 H new ATOM 0 H3' DC A 5 -7.196 -5.924 1.361 1.00 0.17 H new ATOM 0 H2' DC A 5 -4.924 -5.470 0.800 1.00 0.17 H new ATOM 0 H2'' DC A 5 -5.021 -4.469 2.235 1.00 0.17 H new ATOM 0 H1' DC A 5 -3.971 -6.110 3.618 1.00 0.15 H new ATOM 0 H41 DC A 5 1.284 -6.757 -0.263 1.00 0.16 H new ATOM 0 H42 DC A 5 1.863 -6.426 1.373 1.00 0.16 H new ATOM 0 H5 DC A 5 -1.068 -6.920 -0.804 1.00 0.16 H new ATOM 0 H6 DC A 5 -3.332 -6.813 0.084 1.00 0.15 H new ATOM 153 P DG A 6 -7.794 -3.946 3.186 1.00 0.26 P ATOM 154 OP1 DG A 6 -8.874 -3.822 4.193 1.00 0.32 O ATOM 155 OP2 DG A 6 -8.077 -3.636 1.765 1.00 0.35 O ATOM 156 O5' DG A 6 -6.548 -3.042 3.659 1.00 0.23 O ATOM 157 C5' DG A 6 -6.128 -3.018 5.031 1.00 0.19 C ATOM 158 C4' DG A 6 -4.756 -2.381 5.196 1.00 0.15 C ATOM 159 O4' DG A 6 -3.735 -3.111 4.488 1.00 0.16 O ATOM 160 C3' DG A 6 -4.703 -0.941 4.659 1.00 0.14 C ATOM 161 O3' DG A 6 -4.765 0.029 5.704 1.00 0.16 O ATOM 162 C2' DG A 6 -3.332 -0.914 4.016 1.00 0.17 C ATOM 163 C1' DG A 6 -2.643 -2.190 4.471 1.00 0.15 C ATOM 164 N9 DG A 6 -1.589 -2.568 3.517 1.00 0.13 N ATOM 165 C8 DG A 6 -1.699 -3.039 2.242 1.00 0.15 C ATOM 166 N7 DG A 6 -0.505 -3.250 1.649 1.00 0.14 N ATOM 167 C5 DG A 6 0.391 -2.893 2.606 1.00 0.12 C ATOM 168 C6 DG A 6 1.807 -2.897 2.571 1.00 0.13 C ATOM 169 O6 DG A 6 2.557 -3.213 1.654 1.00 0.17 O ATOM 170 N1 DG A 6 2.355 -2.458 3.757 1.00 0.13 N ATOM 171 C2 DG A 6 1.649 -2.057 4.866 1.00 0.13 C ATOM 172 N2 DG A 6 2.378 -1.643 5.911 1.00 0.14 N ATOM 173 N3 DG A 6 0.314 -2.049 4.907 1.00 0.12 N ATOM 174 C4 DG A 6 -0.245 -2.477 3.750 1.00 0.11 C ATOM 0 H5' DG A 6 -6.104 -4.036 5.421 1.00 0.19 H new ATOM 0 H5'' DG A 6 -6.858 -2.466 5.624 1.00 0.19 H new ATOM 0 H4' DG A 6 -4.576 -2.394 6.271 1.00 0.15 H new ATOM 0 H3' DG A 6 -5.536 -0.701 3.998 1.00 0.14 H new ATOM 0 H2' DG A 6 -3.409 -0.876 2.929 1.00 0.17 H new ATOM 0 H2'' DG A 6 -2.770 -0.033 4.327 1.00 0.17 H new ATOM 0 H1' DG A 6 -2.129 -2.126 5.430 1.00 0.15 H new ATOM 0 H8 DG A 6 -2.645 -3.224 1.756 1.00 0.15 H new ATOM 0 H1 DG A 6 3.373 -2.428 3.817 1.00 0.13 H new ATOM 0 H22 DG A 6 3.396 -1.639 5.853 1.00 0.14 H new ATOM 185 P DC A 7 -5.959 1.097 5.896 1.00 0.13 P ATOM 186 OP1 DC A 7 -7.212 0.379 6.230 1.00 0.15 O ATOM 187 OP2 DC A 7 -5.922 2.049 4.761 1.00 0.16 O ATOM 188 O5' DC A 7 -5.399 1.851 7.214 1.00 0.18 O ATOM 189 C5' DC A 7 -5.146 1.123 8.430 1.00 0.21 C ATOM 190 C4' DC A 7 -3.867 1.559 9.153 1.00 0.19 C ATOM 191 O4' DC A 7 -2.679 1.362 8.356 1.00 0.19 O ATOM 192 C3' DC A 7 -3.969 3.003 9.600 1.00 0.18 C ATOM 193 O3' DC A 7 -4.281 3.040 11.002 1.00 0.23 O ATOM 194 C2' DC A 7 -2.552 3.451 9.388 1.00 0.15 C ATOM 195 C1' DC A 7 -1.954 2.598 8.295 1.00 0.15 C ATOM 196 N1 DC A 7 -1.741 3.059 6.899 1.00 0.12 N ATOM 197 C2 DC A 7 -0.553 3.712 6.583 1.00 0.11 C ATOM 198 O2 DC A 7 0.296 3.973 7.428 1.00 0.15 O ATOM 199 N3 DC A 7 -0.333 4.077 5.297 1.00 0.12 N ATOM 200 C4 DC A 7 -1.235 3.821 4.348 1.00 0.11 C ATOM 201 N4 DC A 7 -0.951 4.189 3.103 1.00 0.14 N ATOM 202 C5 DC A 7 -2.466 3.157 4.652 1.00 0.14 C ATOM 203 C6 DC A 7 -2.669 2.798 5.938 1.00 0.15 C ATOM 0 H5' DC A 7 -5.078 0.060 8.199 1.00 0.21 H new ATOM 0 H5'' DC A 7 -5.994 1.250 9.102 1.00 0.21 H new ATOM 0 H4' DC A 7 -3.772 0.919 10.030 1.00 0.19 H new ATOM 0 H3' DC A 7 -4.723 3.600 9.088 1.00 0.18 H new ATOM 0 H2' DC A 7 -2.523 4.504 9.109 1.00 0.15 H new ATOM 0 H2'' DC A 7 -1.978 3.349 10.309 1.00 0.15 H new ATOM 0 H1' DC A 7 -0.892 2.579 8.538 1.00 0.15 H new ATOM 0 H41 DC A 7 -1.618 4.008 2.353 1.00 0.14 H new ATOM 0 H42 DC A 7 -0.066 4.652 2.897 1.00 0.14 H new ATOM 0 H5 DC A 7 -3.200 2.952 3.887 1.00 0.14 H new ATOM 0 H6 DC A 7 -3.585 2.294 6.209 1.00 0.15 H new ATOM 215 P DT A 8 -4.762 4.381 11.765 1.00 0.25 P ATOM 216 OP1 DT A 8 -4.956 4.046 13.194 1.00 0.34 O ATOM 217 OP2 DT A 8 -5.877 4.975 10.992 1.00 0.27 O ATOM 218 O5' DT A 8 -3.484 5.357 11.634 1.00 0.23 O ATOM 219 C5' DT A 8 -2.310 5.321 12.469 1.00 0.23 C ATOM 220 C4' DT A 8 -1.329 6.406 12.020 1.00 0.17 C ATOM 221 O4' DT A 8 -0.882 6.137 10.679 1.00 0.14 O ATOM 222 C3' DT A 8 -2.016 7.770 12.045 1.00 0.18 C ATOM 223 O3' DT A 8 -1.453 8.616 13.072 1.00 0.18 O ATOM 224 C2' DT A 8 -1.840 8.214 10.621 1.00 0.14 C ATOM 225 C1' DT A 8 -0.690 7.391 10.026 1.00 0.11 C ATOM 226 N1 DT A 8 -0.934 7.190 8.582 1.00 0.10 N ATOM 227 C2 DT A 8 -0.021 7.514 7.611 1.00 0.09 C ATOM 228 O2 DT A 8 1.096 7.959 7.840 1.00 0.12 O ATOM 229 N3 DT A 8 -0.439 7.283 6.320 1.00 0.11 N ATOM 230 C4 DT A 8 -1.652 6.766 5.918 1.00 0.12 C ATOM 231 O4 DT A 8 -1.869 6.628 4.718 1.00 0.14 O ATOM 232 C5 DT A 8 -2.532 6.455 7.024 1.00 0.12 C ATOM 233 C7 DT A 8 -3.931 5.856 6.886 1.00 0.15 C ATOM 234 C6 DT A 8 -2.127 6.681 8.261 1.00 0.12 C ATOM 0 H5' DT A 8 -1.837 4.341 12.407 1.00 0.23 H new ATOM 0 H5'' DT A 8 -2.588 5.476 13.512 1.00 0.23 H new ATOM 0 H4' DT A 8 -0.477 6.409 12.700 1.00 0.17 H new ATOM 0 H3' DT A 8 -3.070 7.783 12.324 1.00 0.18 H new ATOM 0 H2' DT A 8 -2.758 8.058 10.054 1.00 0.14 H new ATOM 0 H2'' DT A 8 -1.614 9.279 10.576 1.00 0.14 H new ATOM 0 H1' DT A 8 0.295 7.840 10.149 1.00 0.11 H new ATOM 0 H3 DT A 8 0.221 7.520 5.580 1.00 0.11 H new ATOM 0 H71 DT A 8 -4.156 5.251 7.764 1.00 0.15 H new ATOM 0 H72 DT A 8 -4.664 6.659 6.801 1.00 0.15 H new ATOM 0 H73 DT A 8 -3.973 5.231 5.994 1.00 0.15 H new ATOM 0 H6 DT A 8 -2.805 6.438 9.066 1.00 0.12 H new ATOM 247 P DA A 9 -1.171 10.214 13.008 1.00 0.16 P ATOM 248 OP1 DA A 9 -1.002 10.704 14.395 1.00 0.23 O ATOM 249 OP2 DA A 9 -2.187 10.840 12.131 1.00 0.21 O ATOM 250 O5' DA A 9 0.255 10.311 12.255 1.00 0.16 O ATOM 251 C5' DA A 9 1.422 9.660 12.787 1.00 0.15 C ATOM 252 C4' DA A 9 2.696 9.962 12.000 1.00 0.11 C ATOM 253 O4' DA A 9 2.581 9.594 10.618 1.00 0.17 O ATOM 254 C3' DA A 9 3.101 11.402 12.080 1.00 0.14 C ATOM 255 O3' DA A 9 4.529 11.508 12.171 1.00 0.16 O ATOM 256 C2' DA A 9 2.484 11.883 10.851 1.00 0.14 C ATOM 257 C1' DA A 9 2.651 10.799 9.856 1.00 0.11 C ATOM 258 N9 DA A 9 1.544 10.789 8.904 1.00 0.10 N ATOM 259 C8 DA A 9 0.231 10.807 9.193 1.00 0.11 C ATOM 260 N7 DA A 9 -0.576 10.748 8.116 1.00 0.12 N ATOM 261 C5 DA A 9 0.315 10.693 7.090 1.00 0.10 C ATOM 262 C6 DA A 9 0.150 10.618 5.706 1.00 0.12 C ATOM 263 N6 DA A 9 -1.044 10.580 5.122 1.00 0.14 N ATOM 264 N1 DA A 9 1.261 10.580 4.960 1.00 0.15 N ATOM 265 C2 DA A 9 2.456 10.613 5.539 1.00 0.15 C ATOM 266 N3 DA A 9 2.739 10.681 6.822 1.00 0.14 N ATOM 267 C4 DA A 9 1.608 10.718 7.549 1.00 0.11 C ATOM 0 H5' DA A 9 1.256 8.583 12.796 1.00 0.15 H new ATOM 0 H5'' DA A 9 1.561 9.970 13.823 1.00 0.15 H new ATOM 0 H4' DA A 9 3.467 9.354 12.473 1.00 0.11 H new ATOM 0 H3' DA A 9 2.787 11.982 12.948 1.00 0.14 H new ATOM 0 H2' DA A 9 1.429 12.110 11.007 1.00 0.14 H new ATOM 0 H2'' DA A 9 2.960 12.802 10.510 1.00 0.14 H new ATOM 0 H1' DA A 9 3.579 10.919 9.297 1.00 0.11 H new ATOM 0 H8 DA A 9 -0.145 10.864 10.204 1.00 0.11 H new ATOM 0 H61 DA A 9 -1.113 10.525 4.106 1.00 0.14 H new ATOM 0 H62 DA A 9 -1.891 10.606 5.690 1.00 0.14 H new ATOM 0 H2 DA A 9 3.304 10.580 4.871 1.00 0.15 H new ATOM 279 P DC A 10 5.306 12.916 12.145 1.00 0.18 P ATOM 280 OP1 DC A 10 6.708 12.677 12.560 1.00 0.27 O ATOM 281 OP2 DC A 10 4.488 13.923 12.860 1.00 0.24 O ATOM 282 O5' DC A 10 5.278 13.254 10.567 1.00 0.21 O ATOM 283 C5' DC A 10 6.204 12.666 9.633 1.00 0.21 C ATOM 284 C4' DC A 10 6.019 13.246 8.232 1.00 0.17 C ATOM 285 O4' DC A 10 4.761 12.872 7.692 1.00 0.21 O ATOM 286 C3' DC A 10 6.069 14.768 8.306 1.00 0.15 C ATOM 287 O3' DC A 10 7.285 15.363 7.806 1.00 0.18 O ATOM 288 C2' DC A 10 4.857 15.136 7.530 1.00 0.13 C ATOM 289 C1' DC A 10 4.409 13.926 6.794 1.00 0.13 C ATOM 290 N1 DC A 10 2.951 13.874 6.705 1.00 0.11 N ATOM 291 C2 DC A 10 2.275 13.808 5.501 1.00 0.12 C ATOM 292 O2 DC A 10 2.848 13.842 4.417 1.00 0.18 O ATOM 293 N3 DC A 10 0.924 13.720 5.549 1.00 0.13 N ATOM 294 C4 DC A 10 0.271 13.700 6.717 1.00 0.12 C ATOM 295 N4 DC A 10 -1.051 13.602 6.651 1.00 0.16 N ATOM 296 C5 DC A 10 0.988 13.776 7.967 1.00 0.12 C ATOM 297 C6 DC A 10 2.313 13.862 7.882 1.00 0.12 C ATOM 0 H5' DC A 10 6.059 11.586 9.604 1.00 0.21 H new ATOM 0 H5'' DC A 10 7.226 12.842 9.970 1.00 0.21 H new ATOM 0 H4' DC A 10 6.815 12.860 7.596 1.00 0.17 H new ATOM 0 H3' DC A 10 6.076 15.145 9.329 1.00 0.15 H new ATOM 0 H2' DC A 10 4.070 15.493 8.195 1.00 0.13 H new ATOM 0 H2'' DC A 10 5.079 15.946 6.835 1.00 0.13 H new ATOM 0 H1' DC A 10 4.833 13.887 5.791 1.00 0.13 H new ATOM 0 H41 DC A 10 -1.604 13.582 7.508 1.00 0.16 H new ATOM 0 H42 DC A 10 -1.514 13.547 5.744 1.00 0.16 H new ATOM 0 H5 DC A 10 0.477 13.764 8.919 1.00 0.12 H new ATOM 0 H6 DC A 10 2.892 13.924 8.791 1.00 0.12 H new ATOM 309 P DC A 11 7.896 15.182 6.309 1.00 0.15 P ATOM 310 OP1 DC A 11 7.862 13.747 5.945 1.00 0.19 O ATOM 311 OP2 DC A 11 9.176 15.926 6.262 1.00 0.23 O ATOM 312 O5' DC A 11 6.836 15.965 5.370 1.00 0.15 O ATOM 313 C5' DC A 11 7.048 16.147 3.957 1.00 0.16 C ATOM 314 C4' DC A 11 5.927 16.970 3.314 1.00 0.15 C ATOM 315 O4' DC A 11 4.633 16.370 3.476 1.00 0.14 O ATOM 316 C3' DC A 11 5.785 18.329 3.972 1.00 0.15 C ATOM 317 O3' DC A 11 6.735 19.323 3.582 1.00 0.21 O ATOM 318 C2' DC A 11 4.350 18.695 3.664 1.00 0.14 C ATOM 319 C1' DC A 11 3.677 17.409 3.197 1.00 0.14 C ATOM 320 N1 DC A 11 2.474 17.170 4.006 1.00 0.12 N ATOM 321 C2 DC A 11 1.214 17.042 3.441 1.00 0.13 C ATOM 322 O2 DC A 11 1.016 17.118 2.230 1.00 0.15 O ATOM 323 N3 DC A 11 0.168 16.826 4.280 1.00 0.15 N ATOM 324 C4 DC A 11 0.350 16.737 5.604 1.00 0.15 C ATOM 325 N4 DC A 11 -0.699 16.539 6.388 1.00 0.18 N ATOM 326 C5 DC A 11 1.648 16.866 6.173 1.00 0.13 C ATOM 327 C6 DC A 11 2.656 17.081 5.335 1.00 0.14 C ATOM 0 H5' DC A 11 7.109 15.174 3.470 1.00 0.16 H new ATOM 0 H5'' DC A 11 8.004 16.645 3.794 1.00 0.16 H new ATOM 0 H4' DC A 11 6.213 17.034 2.264 1.00 0.15 H new ATOM 0 H3' DC A 11 6.008 18.281 5.038 1.00 0.15 H new ATOM 0 H2' DC A 11 3.852 19.097 4.546 1.00 0.14 H new ATOM 0 H2'' DC A 11 4.301 19.463 2.892 1.00 0.14 H new ATOM 0 HO3' DC A 11 6.552 20.157 4.063 1.00 0.21 H new ATOM 0 H1' DC A 11 3.390 17.450 2.146 1.00 0.14 H new ATOM 0 H41 DC A 11 -0.575 16.469 7.398 1.00 0.18 H new ATOM 0 H42 DC A 11 -1.631 16.456 5.982 1.00 0.18 H new ATOM 0 H5 DC A 11 1.806 16.792 7.239 1.00 0.13 H new ATOM 0 H6 DC A 11 3.654 17.188 5.734 1.00 0.14 H new TER 340 DC A 11 ATOM 341 O5' DG B 12 -9.824 14.104 0.355 1.00 0.21 O ATOM 342 C5' DG B 12 -9.595 14.763 -0.894 1.00 0.17 C ATOM 343 C4' DG B 12 -8.133 14.816 -1.267 1.00 0.13 C ATOM 344 O4' DG B 12 -7.337 15.537 -0.299 1.00 0.17 O ATOM 345 C3' DG B 12 -7.563 13.412 -1.422 1.00 0.15 C ATOM 346 O3' DG B 12 -6.879 13.374 -2.676 1.00 0.17 O ATOM 347 C2' DG B 12 -6.709 13.370 -0.177 1.00 0.17 C ATOM 348 C1' DG B 12 -6.156 14.767 -0.059 1.00 0.14 C ATOM 349 N9 DG B 12 -5.617 15.004 1.286 1.00 0.13 N ATOM 350 C8 DG B 12 -6.242 14.815 2.471 1.00 0.14 C ATOM 351 N7 DG B 12 -5.487 15.122 3.542 1.00 0.15 N ATOM 352 C5 DG B 12 -4.316 15.526 2.986 1.00 0.13 C ATOM 353 C6 DG B 12 -3.127 15.971 3.613 1.00 0.16 C ATOM 354 O6 DG B 12 -2.882 16.101 4.807 1.00 0.21 O ATOM 355 N1 DG B 12 -2.152 16.287 2.698 1.00 0.16 N ATOM 356 C2 DG B 12 -2.289 16.195 1.337 1.00 0.15 C ATOM 357 N2 DG B 12 -1.236 16.525 0.612 1.00 0.17 N ATOM 358 N3 DG B 12 -3.396 15.784 0.726 1.00 0.14 N ATOM 359 C4 DG B 12 -4.369 15.464 1.612 1.00 0.12 C ATOM 0 H5' DG B 12 -9.989 15.778 -0.842 1.00 0.17 H new ATOM 0 H5'' DG B 12 -10.147 14.246 -1.679 1.00 0.17 H new ATOM 0 H4' DG B 12 -8.082 15.350 -2.216 1.00 0.13 H new ATOM 0 H3' DG B 12 -8.229 12.550 -1.470 1.00 0.15 H new ATOM 0 H2' DG B 12 -7.297 13.099 0.700 1.00 0.17 H new ATOM 0 H2'' DG B 12 -5.911 12.632 -0.266 1.00 0.17 H new ATOM 0 HO5' DG B 12 -10.784 14.098 0.551 1.00 0.21 H new ATOM 0 H1' DG B 12 -5.328 14.995 -0.731 1.00 0.14 H new ATOM 0 H8 DG B 12 -7.256 14.451 2.550 1.00 0.14 H new ATOM 0 H1 DG B 12 -1.257 16.616 3.059 1.00 0.16 H new ATOM 0 H21 DG B 12 -1.282 16.475 -0.406 1.00 0.17 H new ATOM 0 H22 DG B 12 -0.377 16.830 1.070 1.00 0.17 H new ATOM 372 P DG B 13 -6.020 12.131 -3.220 1.00 0.15 P ATOM 373 OP1 DG B 13 -6.401 11.878 -4.628 1.00 0.23 O ATOM 374 OP2 DG B 13 -6.064 11.032 -2.227 1.00 0.24 O ATOM 375 O5' DG B 13 -4.561 12.795 -3.175 1.00 0.18 O ATOM 376 C5' DG B 13 -4.167 13.896 -4.018 1.00 0.18 C ATOM 377 C4' DG B 13 -2.642 14.044 -4.012 1.00 0.13 C ATOM 378 O4' DG B 13 -2.150 14.464 -2.727 1.00 0.17 O ATOM 379 C3' DG B 13 -1.954 12.745 -4.402 1.00 0.11 C ATOM 380 O3' DG B 13 -0.799 12.900 -5.260 1.00 0.17 O ATOM 381 C2' DG B 13 -1.794 12.214 -3.041 1.00 0.13 C ATOM 382 C1' DG B 13 -1.406 13.374 -2.178 1.00 0.12 C ATOM 383 N9 DG B 13 -1.790 13.182 -0.771 1.00 0.10 N ATOM 384 C8 DG B 13 -3.003 12.802 -0.312 1.00 0.11 C ATOM 385 N7 DG B 13 -3.075 12.733 1.039 1.00 0.11 N ATOM 386 C5 DG B 13 -1.824 13.093 1.438 1.00 0.10 C ATOM 387 C6 DG B 13 -1.276 13.211 2.752 1.00 0.12 C ATOM 388 O6 DG B 13 -1.801 13.034 3.847 1.00 0.14 O ATOM 389 N1 DG B 13 0.043 13.601 2.727 1.00 0.13 N ATOM 390 C2 DG B 13 0.766 13.855 1.589 1.00 0.14 C ATOM 391 N2 DG B 13 2.030 14.202 1.737 1.00 0.17 N ATOM 392 N3 DG B 13 0.271 13.755 0.359 1.00 0.15 N ATOM 393 C4 DG B 13 -1.024 13.370 0.353 1.00 0.11 C ATOM 0 H5' DG B 13 -4.631 14.818 -3.666 1.00 0.18 H new ATOM 0 H5'' DG B 13 -4.520 13.729 -5.036 1.00 0.18 H new ATOM 0 H4' DG B 13 -2.408 14.812 -4.749 1.00 0.13 H new ATOM 0 H3' DG B 13 -2.472 12.061 -5.074 1.00 0.11 H new ATOM 0 H2' DG B 13 -2.721 11.761 -2.689 1.00 0.13 H new ATOM 0 H2'' DG B 13 -1.030 11.437 -3.014 1.00 0.13 H new ATOM 0 H1' DG B 13 -0.326 13.522 -2.174 1.00 0.12 H new ATOM 0 H8 DG B 13 -3.836 12.575 -0.961 1.00 0.11 H new ATOM 0 H1 DG B 13 0.520 13.710 3.622 1.00 0.13 H new ATOM 0 H21 DG B 13 2.604 14.400 0.917 1.00 0.17 H new ATOM 0 H22 DG B 13 2.433 14.273 2.671 1.00 0.17 H new ATOM 405 P DT B 14 0.730 12.440 -4.964 1.00 0.11 P ATOM 406 OP1 DT B 14 1.502 12.593 -6.219 1.00 0.17 O ATOM 407 OP2 DT B 14 0.703 11.135 -4.263 1.00 0.15 O ATOM 408 O5' DT B 14 1.207 13.577 -3.925 1.00 0.12 O ATOM 409 C5' DT B 14 2.562 13.907 -3.562 1.00 0.13 C ATOM 410 C4' DT B 14 3.221 12.927 -2.579 1.00 0.12 C ATOM 411 O4' DT B 14 2.391 12.713 -1.422 1.00 0.16 O ATOM 412 C3' DT B 14 3.671 11.561 -3.118 1.00 0.10 C ATOM 413 O3' DT B 14 5.103 11.405 -3.056 1.00 0.13 O ATOM 414 C2' DT B 14 2.818 10.671 -2.283 1.00 0.11 C ATOM 415 C1' DT B 14 2.681 11.397 -0.959 1.00 0.12 C ATOM 416 N1 DT B 14 1.643 10.927 -0.028 1.00 0.10 N ATOM 417 C2 DT B 14 1.870 10.923 1.331 1.00 0.12 C ATOM 418 O2 DT B 14 2.914 11.286 1.858 1.00 0.14 O ATOM 419 N3 DT B 14 0.828 10.475 2.102 1.00 0.11 N ATOM 420 C4 DT B 14 -0.394 10.039 1.655 1.00 0.11 C ATOM 421 O4 DT B 14 -1.239 9.678 2.465 1.00 0.13 O ATOM 422 C5 DT B 14 -0.525 10.081 0.223 1.00 0.11 C ATOM 423 C7 DT B 14 -1.774 9.642 -0.516 1.00 0.13 C ATOM 424 C6 DT B 14 0.473 10.513 -0.527 1.00 0.11 C ATOM 0 H5' DT B 14 2.573 14.904 -3.122 1.00 0.13 H new ATOM 0 H5'' DT B 14 3.166 13.952 -4.468 1.00 0.13 H new ATOM 0 H4' DT B 14 4.147 13.447 -2.336 1.00 0.12 H new ATOM 0 H3' DT B 14 3.529 11.357 -4.179 1.00 0.10 H new ATOM 0 H2' DT B 14 1.845 10.507 -2.747 1.00 0.11 H new ATOM 0 H2'' DT B 14 3.278 9.692 -2.151 1.00 0.11 H new ATOM 0 H1' DT B 14 3.571 11.261 -0.344 1.00 0.12 H new ATOM 0 H3 DT B 14 0.977 10.465 3.111 1.00 0.11 H new ATOM 0 H71 DT B 14 -1.872 10.216 -1.437 1.00 0.13 H new ATOM 0 H72 DT B 14 -1.701 8.581 -0.755 1.00 0.13 H new ATOM 0 H73 DT B 14 -2.648 9.813 0.113 1.00 0.13 H new ATOM 0 H6 DT B 14 0.337 10.533 -1.598 1.00 0.11 H new ATOM 437 P DA B 15 5.986 10.630 -1.946 1.00 0.13 P ATOM 438 OP1 DA B 15 7.389 10.607 -2.419 1.00 0.21 O ATOM 439 OP2 DA B 15 5.300 9.355 -1.632 1.00 0.22 O ATOM 440 O5' DA B 15 5.899 11.600 -0.661 1.00 0.13 O ATOM 441 C5' DA B 15 6.897 11.741 0.371 1.00 0.15 C ATOM 442 C4' DA B 15 7.081 10.511 1.281 1.00 0.14 C ATOM 443 O4' DA B 15 5.802 10.088 1.784 1.00 0.16 O ATOM 444 C3' DA B 15 7.750 9.274 0.657 1.00 0.15 C ATOM 445 O3' DA B 15 8.841 8.829 1.474 1.00 0.20 O ATOM 446 C2' DA B 15 6.629 8.296 0.623 1.00 0.13 C ATOM 447 C1' DA B 15 5.766 8.660 1.786 1.00 0.13 C ATOM 448 N9 DA B 15 4.374 8.242 1.600 1.00 0.12 N ATOM 449 C8 DA B 15 3.674 8.050 0.450 1.00 0.11 C ATOM 450 N7 DA B 15 2.386 7.692 0.662 1.00 0.11 N ATOM 451 C5 DA B 15 2.296 7.660 2.020 1.00 0.10 C ATOM 452 C6 DA B 15 1.242 7.363 2.896 1.00 0.10 C ATOM 453 N6 DA B 15 0.017 7.025 2.505 1.00 0.12 N ATOM 454 N1 DA B 15 1.504 7.427 4.207 1.00 0.12 N ATOM 455 C2 DA B 15 2.713 7.760 4.640 1.00 0.13 C ATOM 456 N3 DA B 15 3.773 8.060 3.920 1.00 0.11 N ATOM 457 C4 DA B 15 3.491 7.989 2.602 1.00 0.10 C ATOM 0 H5' DA B 15 6.634 12.597 0.993 1.00 0.15 H new ATOM 0 H5'' DA B 15 7.853 11.971 -0.100 1.00 0.15 H new ATOM 0 H4' DA B 15 7.765 10.868 2.051 1.00 0.14 H new ATOM 0 H3' DA B 15 8.191 9.443 -0.326 1.00 0.15 H new ATOM 0 H2' DA B 15 6.077 8.361 -0.314 1.00 0.13 H new ATOM 0 H2'' DA B 15 6.995 7.273 0.707 1.00 0.13 H new ATOM 0 H1' DA B 15 6.116 8.185 2.702 1.00 0.13 H new ATOM 0 H8 DA B 15 4.103 8.171 -0.534 1.00 0.11 H new ATOM 0 H61 DA B 15 -0.702 6.822 3.199 1.00 0.12 H new ATOM 0 H62 DA B 15 -0.204 6.969 1.511 1.00 0.12 H new ATOM 0 H2 DA B 15 2.843 7.788 5.712 1.00 0.13 H new ATOM 469 P DG B 16 9.686 7.483 1.183 1.00 0.19 P ATOM 470 OP1 DG B 16 10.456 7.691 -0.066 1.00 0.25 O ATOM 471 OP2 DG B 16 8.786 6.310 1.300 1.00 0.19 O ATOM 472 O5' DG B 16 10.739 7.466 2.409 1.00 0.19 O ATOM 473 C5' DG B 16 10.454 7.569 3.820 1.00 0.18 C ATOM 474 C4' DG B 16 9.503 6.521 4.393 1.00 0.15 C ATOM 475 O4' DG B 16 8.123 6.720 4.067 1.00 0.15 O ATOM 476 C3' DG B 16 9.870 5.124 3.938 1.00 0.14 C ATOM 477 O3' DG B 16 10.917 4.558 4.746 1.00 0.14 O ATOM 478 C2' DG B 16 8.520 4.451 4.147 1.00 0.15 C ATOM 479 C1' DG B 16 7.506 5.512 4.530 1.00 0.14 C ATOM 480 N9 DG B 16 6.237 5.296 3.839 1.00 0.14 N ATOM 481 C8 DG B 16 6.063 5.241 2.510 1.00 0.14 C ATOM 482 N7 DG B 16 4.786 5.017 2.135 1.00 0.12 N ATOM 483 C5 DG B 16 4.131 4.927 3.325 1.00 0.12 C ATOM 484 C6 DG B 16 2.757 4.695 3.591 1.00 0.12 C ATOM 485 O6 DG B 16 1.823 4.531 2.811 1.00 0.15 O ATOM 486 N1 DG B 16 2.493 4.670 4.937 1.00 0.13 N ATOM 487 C2 DG B 16 3.416 4.847 5.933 1.00 0.14 C ATOM 488 N2 DG B 16 2.982 4.785 7.178 1.00 0.16 N ATOM 489 N3 DG B 16 4.707 5.068 5.709 1.00 0.15 N ATOM 490 C4 DG B 16 4.996 5.095 4.383 1.00 0.14 C ATOM 0 H5' DG B 16 10.033 8.556 4.014 1.00 0.18 H new ATOM 0 H5'' DG B 16 11.396 7.511 4.365 1.00 0.18 H new ATOM 0 H4' DG B 16 9.621 6.637 5.470 1.00 0.15 H new ATOM 0 H3' DG B 16 10.275 5.036 2.930 1.00 0.14 H new ATOM 0 H2' DG B 16 8.207 3.939 3.237 1.00 0.15 H new ATOM 0 H2'' DG B 16 8.591 3.695 4.929 1.00 0.15 H new ATOM 0 H1' DG B 16 7.272 5.517 5.595 1.00 0.14 H new ATOM 0 H8 DG B 16 6.871 5.365 1.804 1.00 0.14 H new ATOM 0 H1 DG B 16 1.527 4.506 5.220 1.00 0.13 H new ATOM 0 H21 DG B 16 3.634 4.911 7.952 1.00 0.16 H new ATOM 0 H22 DG B 16 1.995 4.611 7.366 1.00 0.16 H new ATOM 502 P DC B 17 11.772 3.241 4.331 1.00 0.16 P ATOM 503 OP1 DC B 17 12.947 3.154 5.229 1.00 0.20 O ATOM 504 OP2 DC B 17 11.972 3.260 2.863 1.00 0.20 O ATOM 505 O5' DC B 17 10.777 2.021 4.685 1.00 0.15 O ATOM 506 C5' DC B 17 10.248 1.852 6.011 1.00 0.16 C ATOM 507 C4' DC B 17 9.288 0.671 6.126 1.00 0.17 C ATOM 508 O4' DC B 17 8.246 0.718 5.137 1.00 0.17 O ATOM 509 C3' DC B 17 9.975 -0.680 5.938 1.00 0.17 C ATOM 510 O3' DC B 17 10.486 -1.117 7.213 1.00 0.18 O ATOM 511 C2' DC B 17 8.853 -1.517 5.319 1.00 0.19 C ATOM 512 C1' DC B 17 7.653 -0.587 5.159 1.00 0.17 C ATOM 513 N1 DC B 17 6.870 -0.848 3.924 1.00 0.17 N ATOM 514 C2 DC B 17 5.693 -1.583 4.034 1.00 0.17 C ATOM 515 O2 DC B 17 5.258 -1.985 5.108 1.00 0.17 O ATOM 516 N3 DC B 17 4.985 -1.844 2.914 1.00 0.19 N ATOM 517 C4 DC B 17 5.392 -1.410 1.724 1.00 0.22 C ATOM 518 N4 DC B 17 4.643 -1.711 0.673 1.00 0.25 N ATOM 519 C5 DC B 17 6.595 -0.648 1.580 1.00 0.21 C ATOM 520 C6 DC B 17 7.299 -0.391 2.703 1.00 0.18 C ATOM 0 H5' DC B 17 9.730 2.764 6.308 1.00 0.16 H new ATOM 0 H5'' DC B 17 11.073 1.712 6.710 1.00 0.16 H new ATOM 0 H4' DC B 17 8.885 0.760 7.135 1.00 0.17 H new ATOM 0 H3' DC B 17 10.856 -0.717 5.297 1.00 0.17 H new ATOM 0 H2' DC B 17 9.159 -1.924 4.355 1.00 0.19 H new ATOM 0 H2'' DC B 17 8.604 -2.364 5.958 1.00 0.19 H new ATOM 0 H1' DC B 17 6.927 -0.722 5.960 1.00 0.17 H new ATOM 0 H41 DC B 17 4.920 -1.397 -0.257 1.00 0.25 H new ATOM 0 H42 DC B 17 3.790 -2.256 0.794 1.00 0.25 H new ATOM 0 H5 DC B 17 6.925 -0.294 0.615 1.00 0.21 H new ATOM 0 H6 DC B 17 8.212 0.182 2.640 1.00 0.18 H new ATOM 532 P DG B 18 10.399 -2.602 7.849 1.00 0.19 P ATOM 533 OP1 DG B 18 10.951 -2.552 9.222 1.00 0.21 O ATOM 534 OP2 DG B 18 10.942 -3.572 6.870 1.00 0.25 O ATOM 535 O5' DG B 18 8.800 -2.821 7.953 1.00 0.16 O ATOM 536 C5' DG B 18 7.941 -1.859 8.595 1.00 0.12 C ATOM 537 C4' DG B 18 6.541 -2.368 8.833 1.00 0.12 C ATOM 538 O4' DG B 18 5.795 -2.680 7.648 1.00 0.15 O ATOM 539 C3' DG B 18 6.584 -3.625 9.706 1.00 0.11 C ATOM 540 O3' DG B 18 5.838 -3.469 10.927 1.00 0.12 O ATOM 541 C2' DG B 18 6.063 -4.629 8.723 1.00 0.12 C ATOM 542 C1' DG B 18 5.035 -3.860 7.933 1.00 0.13 C ATOM 543 N9 DG B 18 4.713 -4.498 6.650 1.00 0.12 N ATOM 544 C8 DG B 18 5.641 -4.913 5.775 1.00 0.14 C ATOM 545 N7 DG B 18 5.142 -5.429 4.637 1.00 0.14 N ATOM 546 C5 DG B 18 3.801 -5.331 4.824 1.00 0.13 C ATOM 547 C6 DG B 18 2.746 -5.719 3.959 1.00 0.14 C ATOM 548 O6 DG B 18 2.797 -6.221 2.841 1.00 0.16 O ATOM 549 N1 DG B 18 1.515 -5.462 4.504 1.00 0.13 N ATOM 550 C2 DG B 18 1.293 -4.901 5.732 1.00 0.12 C ATOM 551 N2 DG B 18 0.023 -4.762 6.081 1.00 0.13 N ATOM 552 N3 DG B 18 2.268 -4.521 6.566 1.00 0.11 N ATOM 553 C4 DG B 18 3.501 -4.767 6.047 1.00 0.11 C ATOM 0 H5' DG B 18 7.893 -0.960 7.981 1.00 0.12 H new ATOM 0 H5'' DG B 18 8.381 -1.570 9.549 1.00 0.12 H new ATOM 0 H4' DG B 18 6.026 -1.540 9.321 1.00 0.12 H new ATOM 0 H3' DG B 18 7.554 -3.906 10.116 1.00 0.11 H new ATOM 0 H2' DG B 18 6.858 -5.010 8.081 1.00 0.12 H new ATOM 0 H2'' DG B 18 5.620 -5.488 9.226 1.00 0.12 H new ATOM 0 H1' DG B 18 4.086 -3.745 8.457 1.00 0.13 H new ATOM 0 H8 DG B 18 6.701 -4.839 5.968 1.00 0.14 H new ATOM 0 H1 DG B 18 0.696 -5.709 3.948 1.00 0.13 H new ATOM 0 H21 DG B 18 -0.216 -4.351 6.983 1.00 0.13 H new ATOM 0 H22 DG B 18 -0.716 -5.066 5.447 1.00 0.13 H new ATOM 565 P DA B 19 5.299 -4.686 11.847 1.00 0.11 P ATOM 566 OP1 DA B 19 5.325 -4.250 13.262 1.00 0.15 O ATOM 567 OP2 DA B 19 5.987 -5.934 11.445 1.00 0.14 O ATOM 568 O5' DA B 19 3.762 -4.785 11.370 1.00 0.16 O ATOM 569 C5' DA B 19 2.805 -3.747 11.656 1.00 0.15 C ATOM 570 C4' DA B 19 1.364 -4.247 11.521 1.00 0.13 C ATOM 571 O4' DA B 19 1.040 -4.644 10.180 1.00 0.15 O ATOM 572 C3' DA B 19 1.055 -5.394 12.450 1.00 0.12 C ATOM 573 O3' DA B 19 -0.286 -5.318 12.953 1.00 0.12 O ATOM 574 C2' DA B 19 1.323 -6.506 11.517 1.00 0.12 C ATOM 575 C1' DA B 19 0.789 -6.051 10.185 1.00 0.13 C ATOM 576 N9 DA B 19 1.580 -6.619 9.083 1.00 0.12 N ATOM 577 C8 DA B 19 2.930 -6.600 8.972 1.00 0.13 C ATOM 578 N7 DA B 19 3.400 -7.175 7.853 1.00 0.13 N ATOM 579 C5 DA B 19 2.267 -7.576 7.227 1.00 0.13 C ATOM 580 C6 DA B 19 2.064 -8.237 6.018 1.00 0.14 C ATOM 581 N6 DA B 19 3.080 -8.587 5.244 1.00 0.15 N ATOM 582 N1 DA B 19 0.803 -8.507 5.652 1.00 0.14 N ATOM 583 C2 DA B 19 -0.199 -8.139 6.446 1.00 0.14 C ATOM 584 N3 DA B 19 -0.136 -7.510 7.610 1.00 0.13 N ATOM 585 C4 DA B 19 1.146 -7.254 7.949 1.00 0.13 C ATOM 0 H5' DA B 19 2.964 -2.909 10.977 1.00 0.15 H new ATOM 0 H5'' DA B 19 2.966 -3.373 12.667 1.00 0.15 H new ATOM 0 H4' DA B 19 0.749 -3.391 11.798 1.00 0.13 H new ATOM 0 H3' DA B 19 1.623 -5.456 13.379 1.00 0.12 H new ATOM 0 H2' DA B 19 2.390 -6.721 11.459 1.00 0.12 H new ATOM 0 H2'' DA B 19 0.830 -7.421 11.845 1.00 0.12 H new ATOM 0 H1' DA B 19 -0.254 -6.340 10.056 1.00 0.13 H new ATOM 0 H8 DA B 19 3.573 -6.160 9.720 1.00 0.13 H new ATOM 0 H61 DA B 19 2.907 -9.070 4.363 1.00 0.15 H new ATOM 0 H62 DA B 19 4.036 -8.373 5.529 1.00 0.15 H new ATOM 0 H2 DA B 19 -1.191 -8.385 6.097 1.00 0.14 H new ATOM 597 P DT B 20 -0.925 -6.432 13.927 1.00 0.12 P ATOM 598 OP1 DT B 20 -2.073 -5.813 14.627 1.00 0.15 O ATOM 599 OP2 DT B 20 0.166 -7.050 14.716 1.00 0.20 O ATOM 600 O5' DT B 20 -1.484 -7.528 12.883 1.00 0.11 O ATOM 601 C5' DT B 20 -2.679 -7.306 12.114 1.00 0.11 C ATOM 602 C4' DT B 20 -2.984 -8.469 11.167 1.00 0.10 C ATOM 603 O4' DT B 20 -1.978 -8.636 10.151 1.00 0.12 O ATOM 604 C3' DT B 20 -3.199 -9.792 11.883 1.00 0.11 C ATOM 605 O3' DT B 20 -4.452 -10.373 11.502 1.00 0.17 O ATOM 606 C2' DT B 20 -1.979 -10.545 11.388 1.00 0.11 C ATOM 607 C1' DT B 20 -1.783 -10.039 9.960 1.00 0.09 C ATOM 608 N1 DT B 20 -0.436 -10.243 9.372 1.00 0.09 N ATOM 609 C2 DT B 20 -0.322 -10.781 8.101 1.00 0.09 C ATOM 610 O2 DT B 20 -1.278 -11.133 7.418 1.00 0.11 O ATOM 611 N3 DT B 20 0.960 -10.911 7.617 1.00 0.08 N ATOM 612 C4 DT B 20 2.121 -10.562 8.269 1.00 0.09 C ATOM 613 O4 DT B 20 3.193 -10.732 7.700 1.00 0.11 O ATOM 614 C5 DT B 20 1.902 -10.013 9.587 1.00 0.09 C ATOM 615 C7 DT B 20 3.036 -9.553 10.493 1.00 0.10 C ATOM 616 C6 DT B 20 0.672 -9.880 10.071 1.00 0.09 C ATOM 0 H5' DT B 20 -2.571 -6.388 11.536 1.00 0.11 H new ATOM 0 H5'' DT B 20 -3.522 -7.160 12.790 1.00 0.11 H new ATOM 0 H4' DT B 20 -3.923 -8.188 10.690 1.00 0.10 H new ATOM 0 H3' DT B 20 -3.272 -9.760 12.970 1.00 0.11 H new ATOM 0 H2' DT B 20 -1.106 -10.340 12.007 1.00 0.11 H new ATOM 0 H2'' DT B 20 -2.140 -11.623 11.410 1.00 0.11 H new ATOM 0 H1' DT B 20 -2.443 -10.565 9.270 1.00 0.09 H new ATOM 0 H3 DT B 20 1.060 -11.305 6.682 1.00 0.08 H new ATOM 0 H71 DT B 20 2.685 -8.743 11.132 1.00 0.10 H new ATOM 0 H72 DT B 20 3.368 -10.386 11.112 1.00 0.10 H new ATOM 0 H73 DT B 20 3.868 -9.200 9.884 1.00 0.10 H new ATOM 0 H6 DT B 20 0.547 -9.466 11.061 1.00 0.09 H new ATOM 629 P DG B 21 -4.991 -11.722 12.198 1.00 0.21 P ATOM 630 OP1 DG B 21 -6.445 -11.829 11.932 1.00 0.30 O ATOM 631 OP2 DG B 21 -4.492 -11.770 13.592 1.00 0.29 O ATOM 632 O5' DG B 21 -4.213 -12.842 11.340 1.00 0.19 O ATOM 633 C5' DG B 21 -4.729 -13.325 10.090 1.00 0.17 C ATOM 634 C4' DG B 21 -3.801 -14.333 9.421 1.00 0.14 C ATOM 635 O4' DG B 21 -2.599 -13.795 8.859 1.00 0.13 O ATOM 636 C3' DG B 21 -3.386 -15.455 10.373 1.00 0.13 C ATOM 637 O3' DG B 21 -4.216 -16.618 10.194 1.00 0.16 O ATOM 638 C2' DG B 21 -1.908 -15.590 10.032 1.00 0.12 C ATOM 639 C1' DG B 21 -1.735 -14.928 8.700 1.00 0.11 C ATOM 640 N9 DG B 21 -0.368 -14.442 8.507 1.00 0.08 N ATOM 641 C8 DG B 21 0.322 -13.665 9.362 1.00 0.08 C ATOM 642 N7 DG B 21 1.566 -13.360 8.936 1.00 0.08 N ATOM 643 C5 DG B 21 1.644 -13.993 7.734 1.00 0.08 C ATOM 644 C6 DG B 21 2.713 -14.044 6.797 1.00 0.09 C ATOM 645 O6 DG B 21 3.825 -13.527 6.842 1.00 0.11 O ATOM 646 N1 DG B 21 2.392 -14.796 5.691 1.00 0.09 N ATOM 647 C2 DG B 21 1.194 -15.432 5.489 1.00 0.10 C ATOM 648 N2 DG B 21 1.064 -16.122 4.370 1.00 0.12 N ATOM 649 N3 DG B 21 0.181 -15.397 6.351 1.00 0.10 N ATOM 650 C4 DG B 21 0.474 -14.660 7.450 1.00 0.08 C ATOM 0 H5' DG B 21 -4.889 -12.482 9.417 1.00 0.17 H new ATOM 0 H5'' DG B 21 -5.701 -13.788 10.258 1.00 0.17 H new ATOM 0 H4' DG B 21 -4.416 -14.704 8.601 1.00 0.14 H new ATOM 0 H3' DG B 21 -3.521 -15.277 11.440 1.00 0.13 H new ATOM 0 H2' DG B 21 -1.287 -15.113 10.790 1.00 0.12 H new ATOM 0 H2'' DG B 21 -1.610 -16.638 9.990 1.00 0.12 H new ATOM 0 H1' DG B 21 -1.944 -15.588 7.858 1.00 0.11 H new ATOM 0 H8 DG B 21 -0.082 -13.318 10.302 1.00 0.08 H new ATOM 0 H1 DG B 21 3.101 -14.888 4.964 1.00 0.09 H new ATOM 0 H21 DG B 21 0.192 -16.614 4.172 1.00 0.12 H new ATOM 0 H22 DG B 21 1.835 -16.163 3.704 1.00 0.12 H new ATOM 662 P DG B 22 -3.745 -18.161 10.307 1.00 0.17 P ATOM 663 OP1 DG B 22 -4.952 -19.009 10.439 1.00 0.22 O ATOM 664 OP2 DG B 22 -2.659 -18.262 11.308 1.00 0.20 O ATOM 665 O5' DG B 22 -3.100 -18.423 8.847 1.00 0.16 O ATOM 666 C5' DG B 22 -3.898 -18.382 7.649 1.00 0.17 C ATOM 667 C4' DG B 22 -3.308 -19.217 6.501 1.00 0.16 C ATOM 668 O4' DG B 22 -2.048 -18.725 6.012 1.00 0.16 O ATOM 669 C3' DG B 22 -3.107 -20.666 6.841 1.00 0.17 C ATOM 670 O3' DG B 22 -3.107 -21.439 5.643 1.00 0.19 O ATOM 671 C2' DG B 22 -1.742 -20.573 7.386 1.00 0.16 C ATOM 672 C1' DG B 22 -1.027 -19.633 6.451 1.00 0.15 C ATOM 673 N9 DG B 22 0.009 -18.850 7.134 1.00 0.13 N ATOM 674 C8 DG B 22 -0.052 -18.271 8.357 1.00 0.12 C ATOM 675 N7 DG B 22 1.064 -17.590 8.693 1.00 0.12 N ATOM 676 C5 DG B 22 1.866 -17.762 7.609 1.00 0.11 C ATOM 677 C6 DG B 22 3.179 -17.282 7.361 1.00 0.11 C ATOM 678 O6 DG B 22 3.906 -16.578 8.057 1.00 0.12 O ATOM 679 N1 DG B 22 3.645 -17.683 6.131 1.00 0.12 N ATOM 680 C2 DG B 22 2.950 -18.453 5.231 1.00 0.13 C ATOM 681 N2 DG B 22 3.542 -18.751 4.089 1.00 0.15 N ATOM 682 N3 DG B 22 1.722 -18.910 5.443 1.00 0.14 N ATOM 683 C4 DG B 22 1.243 -18.527 6.649 1.00 0.12 C ATOM 0 H5' DG B 22 -3.999 -17.347 7.322 1.00 0.17 H new ATOM 0 H5'' DG B 22 -4.901 -18.744 7.875 1.00 0.17 H new ATOM 0 H4' DG B 22 -4.071 -19.120 5.729 1.00 0.16 H new ATOM 0 H3' DG B 22 -3.851 -21.122 7.494 1.00 0.17 H new ATOM 0 H2' DG B 22 -1.747 -20.190 8.407 1.00 0.16 H new ATOM 0 H2'' DG B 22 -1.258 -21.549 7.414 1.00 0.16 H new ATOM 0 HO3' DG B 22 -2.974 -22.385 5.864 1.00 0.19 H new ATOM 0 H1' DG B 22 -0.536 -20.188 5.652 1.00 0.15 H new ATOM 0 H8 DG B 22 -0.914 -18.347 9.003 1.00 0.12 H new ATOM 0 H1 DG B 22 4.583 -17.384 5.865 1.00 0.12 H new ATOM 0 H21 DG B 22 3.056 -19.321 3.396 1.00 0.15 H new ATOM 0 H22 DG B 22 4.485 -18.411 3.900 1.00 0.15 H new TER 696 DG B 22 HETATM 697 C1 BPJ A 25 1.915 -0.831 6.876 1.00 0.13 C HETATM 698 C2 BPJ A 25 1.768 -1.512 8.265 1.00 0.12 C HETATM 699 O2 BPJ A 25 0.670 -2.398 8.461 1.00 0.16 O HETATM 700 C3 BPJ A 25 1.639 -0.411 9.346 1.00 0.12 C HETATM 701 O3 BPJ A 25 0.642 0.574 9.042 1.00 0.16 O HETATM 702 C4 BPJ A 25 3.021 0.306 9.418 1.00 0.11 C HETATM 703 O4 BPJ A 25 3.999 -0.504 10.078 1.00 0.13 O HETATM 704 C5 BPJ A 25 4.726 1.436 8.069 1.00 0.13 C HETATM 705 C6 BPJ A 25 5.268 1.858 6.849 1.00 0.14 C HETATM 706 C7 BPJ A 25 5.172 1.945 4.481 1.00 0.16 C HETATM 707 C8 BPJ A 25 4.556 1.675 3.241 1.00 0.16 C HETATM 708 C9 BPJ A 25 2.487 1.244 1.998 1.00 0.15 C HETATM 709 C10 BPJ A 25 1.086 1.110 2.014 1.00 0.14 C HETATM 710 C11 BPJ A 25 0.403 1.042 3.243 1.00 0.13 C HETATM 711 C12 BPJ A 25 1.133 1.036 4.443 1.00 0.12 C HETATM 712 C13 BPJ A 25 2.865 0.282 6.888 1.00 0.12 C HETATM 713 C14 BPJ A 25 3.548 0.640 8.107 1.00 0.11 C HETATM 714 C15 BPJ A 25 4.559 1.595 5.676 1.00 0.14 C HETATM 715 C16 BPJ A 25 3.303 0.952 5.688 1.00 0.12 C HETATM 716 C17 BPJ A 25 2.552 1.088 4.475 1.00 0.12 C HETATM 717 C18 BPJ A 25 3.196 1.293 3.219 1.00 0.14 C HETATM 0 H11A BPJ A 25 0.941 -0.468 6.550 1.00 0.13 H new HETATM 0 HO4 BPJ A 25 4.652 0.072 10.527 1.00 0.13 H new HETATM 0 HO3 BPJ A 25 0.608 1.238 9.762 1.00 0.16 H new HETATM 0 HO2 BPJ A 25 0.936 -3.120 9.068 1.00 0.16 H new HETATM 0 H9 BPJ A 25 3.021 1.310 1.050 1.00 0.15 H new HETATM 0 H8 BPJ A 25 5.121 1.760 2.313 1.00 0.16 H new HETATM 0 H7 BPJ A 25 6.145 2.436 4.501 1.00 0.16 H new HETATM 0 H6 BPJ A 25 6.224 2.381 6.816 1.00 0.14 H new HETATM 0 H5 BPJ A 25 5.213 1.721 9.002 1.00 0.13 H new HETATM 0 H4 BPJ A 25 2.837 1.222 9.980 1.00 0.11 H new HETATM 0 H3 BPJ A 25 1.341 -0.883 10.282 1.00 0.12 H new HETATM 0 H2 BPJ A 25 2.662 -2.132 8.333 1.00 0.12 H new HETATM 0 H12 BPJ A 25 0.589 0.990 5.387 1.00 0.12 H new HETATM 0 H11 BPJ A 25 -0.686 0.994 3.263 1.00 0.13 H new HETATM 0 H10 BPJ A 25 0.531 1.059 1.077 1.00 0.14 H new