USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=9 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 27:sc= 0.00586 USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.38 (180deg=-1.38) USER MOD Single : A 8 DT C7 :methyl -30:sc= -0.0631 (180deg=-0.426) USER MOD Single : A 11 DC O3' : rot 180:sc= 0 USER MOD Single : A 25 BPJ O2 : rot 180:sc= 0.00621 USER MOD Single : A 25 BPJ O3 : rot -174:sc= -0.502 USER MOD Single : A 25 BPJ O4 : rot -160:sc= -0.0986 USER MOD Single : B 12 DG O5' : rot 180:sc= -0.842 USER MOD Single : B 14 DT C7 :methyl -30:sc= -0.287 (180deg=-0.476) USER MOD Single : B 20 DT C7 :methyl 150:sc= -0.99 (180deg=-0.99) USER MOD Single : B 22 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 12.354 -17.578 5.097 1.00 0.27 O ATOM 2 C5' DC A 1 11.937 -18.581 4.164 1.00 0.27 C ATOM 3 C4' DC A 1 10.577 -18.259 3.564 1.00 0.25 C ATOM 4 O4' DC A 1 9.620 -18.131 4.615 1.00 0.24 O ATOM 5 C3' DC A 1 10.602 -16.954 2.803 1.00 0.22 C ATOM 6 O3' DC A 1 10.891 -17.255 1.420 1.00 0.23 O ATOM 7 C2' DC A 1 9.181 -16.533 3.000 1.00 0.20 C ATOM 8 C1' DC A 1 8.535 -17.404 4.043 1.00 0.20 C ATOM 9 N1 DC A 1 7.891 -16.625 5.101 1.00 0.17 N ATOM 10 C2 DC A 1 6.559 -16.829 5.397 1.00 0.16 C ATOM 11 O2 DC A 1 5.879 -17.636 4.775 1.00 0.16 O ATOM 12 N3 DC A 1 6.005 -16.101 6.394 1.00 0.15 N ATOM 13 C4 DC A 1 6.728 -15.204 7.071 1.00 0.16 C ATOM 14 N4 DC A 1 6.117 -14.537 8.041 1.00 0.17 N ATOM 15 C5 DC A 1 8.112 -14.989 6.757 1.00 0.18 C ATOM 16 C6 DC A 1 8.631 -15.727 5.770 1.00 0.18 C ATOM 0 H5' DC A 1 11.894 -19.548 4.664 1.00 0.27 H new ATOM 0 H5'' DC A 1 12.676 -18.667 3.367 1.00 0.27 H new ATOM 0 H4' DC A 1 10.315 -19.067 2.881 1.00 0.25 H new ATOM 0 H3' DC A 1 11.331 -16.203 3.109 1.00 0.22 H new ATOM 0 H2' DC A 1 9.140 -15.488 3.308 1.00 0.20 H new ATOM 0 H2'' DC A 1 8.635 -16.609 2.060 1.00 0.20 H new ATOM 0 HO5' DC A 1 11.566 -17.146 5.487 1.00 0.27 H new ATOM 0 H1' DC A 1 7.759 -18.026 3.597 1.00 0.20 H new ATOM 0 H41 DC A 1 6.630 -13.843 8.584 1.00 0.17 H new ATOM 0 H42 DC A 1 5.134 -14.718 8.244 1.00 0.17 H new ATOM 0 H5 DC A 1 8.707 -14.264 7.293 1.00 0.18 H new ATOM 0 H6 DC A 1 9.670 -15.597 5.505 1.00 0.18 H new ATOM 29 P DC A 2 10.357 -16.445 0.116 1.00 0.22 P ATOM 30 OP1 DC A 2 10.902 -17.112 -1.088 1.00 0.25 O ATOM 31 OP2 DC A 2 10.617 -15.003 0.338 1.00 0.23 O ATOM 32 O5' DC A 2 8.752 -16.681 0.151 1.00 0.21 O ATOM 33 C5' DC A 2 8.073 -17.920 -0.152 1.00 0.21 C ATOM 34 C4' DC A 2 6.542 -17.749 -0.051 1.00 0.19 C ATOM 35 O4' DC A 2 6.128 -17.377 1.283 1.00 0.17 O ATOM 36 C3' DC A 2 6.032 -16.666 -1.015 1.00 0.18 C ATOM 37 O3' DC A 2 5.070 -17.202 -1.943 1.00 0.19 O ATOM 38 C2' DC A 2 5.456 -15.646 -0.088 1.00 0.17 C ATOM 39 C1' DC A 2 5.081 -16.398 1.184 1.00 0.15 C ATOM 40 N1 DC A 2 5.174 -15.488 2.325 1.00 0.13 N ATOM 41 C2 DC A 2 4.133 -15.294 3.226 1.00 0.13 C ATOM 42 O2 DC A 2 3.060 -15.883 3.138 1.00 0.13 O ATOM 43 N3 DC A 2 4.327 -14.409 4.242 1.00 0.12 N ATOM 44 C4 DC A 2 5.483 -13.751 4.361 1.00 0.12 C ATOM 45 N4 DC A 2 5.632 -12.894 5.363 1.00 0.13 N ATOM 46 C5 DC A 2 6.532 -13.974 3.419 1.00 0.12 C ATOM 47 C6 DC A 2 6.324 -14.833 2.450 1.00 0.13 C ATOM 0 H5' DC A 2 8.402 -18.698 0.537 1.00 0.21 H new ATOM 0 H5'' DC A 2 8.341 -18.250 -1.156 1.00 0.21 H new ATOM 0 H4' DC A 2 6.117 -18.718 -0.313 1.00 0.19 H new ATOM 0 H3' DC A 2 6.803 -16.245 -1.660 1.00 0.18 H new ATOM 0 H2' DC A 2 6.179 -14.858 0.123 1.00 0.17 H new ATOM 0 H2'' DC A 2 4.582 -15.167 -0.530 1.00 0.17 H new ATOM 0 H1' DC A 2 4.075 -16.818 1.170 1.00 0.15 H new ATOM 0 H41 DC A 2 6.508 -12.382 5.470 1.00 0.13 H new ATOM 0 H42 DC A 2 4.871 -12.747 6.026 1.00 0.13 H new ATOM 0 H5 DC A 2 7.472 -13.449 3.502 1.00 0.12 H new ATOM 0 H6 DC A 2 7.110 -15.014 1.732 1.00 0.13 H new ATOM 59 P DA A 3 4.243 -16.320 -3.018 1.00 0.19 P ATOM 60 OP1 DA A 3 3.641 -17.250 -4.002 1.00 0.21 O ATOM 61 OP2 DA A 3 5.122 -15.226 -3.491 1.00 0.20 O ATOM 62 O5' DA A 3 3.050 -15.659 -2.141 1.00 0.17 O ATOM 63 C5' DA A 3 1.819 -16.339 -1.820 1.00 0.16 C ATOM 64 C4' DA A 3 0.833 -15.468 -1.068 1.00 0.13 C ATOM 65 O4' DA A 3 1.328 -15.072 0.228 1.00 0.12 O ATOM 66 C3' DA A 3 0.444 -14.203 -1.835 1.00 0.14 C ATOM 67 O3' DA A 3 -0.938 -14.188 -2.230 1.00 0.15 O ATOM 68 C2' DA A 3 0.777 -13.148 -0.821 1.00 0.13 C ATOM 69 C1' DA A 3 0.724 -13.810 0.531 1.00 0.12 C ATOM 70 N9 DA A 3 1.549 -13.090 1.522 1.00 0.10 N ATOM 71 C8 DA A 3 2.828 -12.685 1.358 1.00 0.10 C ATOM 72 N7 DA A 3 3.363 -12.076 2.429 1.00 0.11 N ATOM 73 C5 DA A 3 2.347 -12.098 3.325 1.00 0.10 C ATOM 74 C6 DA A 3 2.256 -11.623 4.637 1.00 0.11 C ATOM 75 N6 DA A 3 3.271 -11.029 5.252 1.00 0.11 N ATOM 76 N1 DA A 3 1.095 -11.792 5.281 1.00 0.12 N ATOM 77 C2 DA A 3 0.085 -12.397 4.666 1.00 0.12 C ATOM 78 N3 DA A 3 0.047 -12.891 3.434 1.00 0.10 N ATOM 79 C4 DA A 3 1.230 -12.706 2.806 1.00 0.10 C ATOM 0 H5' DA A 3 2.045 -17.221 -1.221 1.00 0.16 H new ATOM 0 H5'' DA A 3 1.354 -16.690 -2.742 1.00 0.16 H new ATOM 0 H4' DA A 3 -0.050 -16.097 -0.949 1.00 0.13 H new ATOM 0 H3' DA A 3 0.957 -14.083 -2.789 1.00 0.14 H new ATOM 0 H2' DA A 3 1.766 -12.731 -1.008 1.00 0.13 H new ATOM 0 H2'' DA A 3 0.067 -12.322 -0.875 1.00 0.13 H new ATOM 0 H1' DA A 3 -0.276 -13.855 0.962 1.00 0.12 H new ATOM 0 H8 DA A 3 3.376 -12.839 0.440 1.00 0.10 H new ATOM 0 H61 DA A 3 3.163 -10.697 6.210 1.00 0.11 H new ATOM 0 H62 DA A 3 4.159 -10.905 4.766 1.00 0.11 H new ATOM 0 H2 DA A 3 -0.822 -12.500 5.242 1.00 0.12 H new ATOM 91 P DT A 4 -1.624 -12.951 -3.022 1.00 0.16 P ATOM 92 OP1 DT A 4 -2.640 -13.501 -3.949 1.00 0.20 O ATOM 93 OP2 DT A 4 -0.552 -12.074 -3.546 1.00 0.17 O ATOM 94 O5' DT A 4 -2.384 -12.149 -1.845 1.00 0.15 O ATOM 95 C5' DT A 4 -3.568 -12.676 -1.220 1.00 0.15 C ATOM 96 C4' DT A 4 -4.156 -11.737 -0.165 1.00 0.13 C ATOM 97 O4' DT A 4 -3.218 -11.516 0.911 1.00 0.14 O ATOM 98 C3' DT A 4 -4.559 -10.366 -0.730 1.00 0.14 C ATOM 99 O3' DT A 4 -5.728 -9.853 -0.072 1.00 0.16 O ATOM 100 C2' DT A 4 -3.327 -9.583 -0.350 1.00 0.14 C ATOM 101 C1' DT A 4 -3.005 -10.108 1.047 1.00 0.13 C ATOM 102 N1 DT A 4 -1.625 -9.840 1.527 1.00 0.12 N ATOM 103 C2 DT A 4 -1.445 -9.486 2.859 1.00 0.10 C ATOM 104 O2 DT A 4 -2.361 -9.386 3.667 1.00 0.11 O ATOM 105 N3 DT A 4 -0.146 -9.250 3.251 1.00 0.09 N ATOM 106 C4 DT A 4 0.968 -9.332 2.452 1.00 0.10 C ATOM 107 O4 DT A 4 2.071 -9.100 2.929 1.00 0.11 O ATOM 108 C5 DT A 4 0.692 -9.703 1.089 1.00 0.11 C ATOM 109 C7 DT A 4 1.802 -9.838 0.054 1.00 0.13 C ATOM 110 C6 DT A 4 -0.552 -9.938 0.683 1.00 0.13 C ATOM 0 H5' DT A 4 -3.331 -13.633 -0.755 1.00 0.15 H new ATOM 0 H5'' DT A 4 -4.320 -12.870 -1.985 1.00 0.15 H new ATOM 0 H4' DT A 4 -5.053 -12.239 0.198 1.00 0.13 H new ATOM 0 H3' DT A 4 -4.819 -10.350 -1.788 1.00 0.14 H new ATOM 0 H2' DT A 4 -2.507 -9.758 -1.046 1.00 0.14 H new ATOM 0 H2'' DT A 4 -3.517 -8.510 -0.344 1.00 0.14 H new ATOM 0 H1' DT A 4 -3.623 -9.608 1.793 1.00 0.13 H new ATOM 0 H3 DT A 4 0.003 -8.990 4.226 1.00 0.09 H new ATOM 0 H71 DT A 4 1.520 -10.587 -0.686 1.00 0.13 H new ATOM 0 H72 DT A 4 1.957 -8.879 -0.441 1.00 0.13 H new ATOM 0 H73 DT A 4 2.724 -10.145 0.547 1.00 0.13 H new ATOM 0 H6 DT A 4 -0.721 -10.215 -0.347 1.00 0.13 H new ATOM 123 P DC A 5 -6.357 -8.375 -0.304 1.00 0.15 P ATOM 124 OP1 DC A 5 -7.090 -8.391 -1.591 1.00 0.19 O ATOM 125 OP2 DC A 5 -5.318 -7.347 -0.065 1.00 0.15 O ATOM 126 O5' DC A 5 -7.447 -8.283 0.877 1.00 0.16 O ATOM 127 C5' DC A 5 -7.278 -8.867 2.180 1.00 0.14 C ATOM 128 C4' DC A 5 -6.396 -8.076 3.153 1.00 0.10 C ATOM 129 O4' DC A 5 -4.977 -8.015 2.887 1.00 0.11 O ATOM 130 C3' DC A 5 -6.851 -6.638 3.380 1.00 0.11 C ATOM 131 O3' DC A 5 -7.112 -6.570 4.788 1.00 0.14 O ATOM 132 C2' DC A 5 -5.641 -5.865 2.858 1.00 0.10 C ATOM 133 C1' DC A 5 -4.482 -6.723 3.310 1.00 0.09 C ATOM 134 N1 DC A 5 -3.143 -6.504 2.705 1.00 0.09 N ATOM 135 C2 DC A 5 -2.028 -6.313 3.524 1.00 0.08 C ATOM 136 O2 DC A 5 -2.096 -6.239 4.748 1.00 0.09 O ATOM 137 N3 DC A 5 -0.814 -6.186 2.932 1.00 0.08 N ATOM 138 C4 DC A 5 -0.685 -6.239 1.605 1.00 0.11 C ATOM 139 N4 DC A 5 0.531 -6.124 1.085 1.00 0.12 N ATOM 140 C5 DC A 5 -1.817 -6.424 0.756 1.00 0.12 C ATOM 141 C6 DC A 5 -3.014 -6.548 1.354 1.00 0.11 C ATOM 0 H5' DC A 5 -6.852 -9.863 2.059 1.00 0.14 H new ATOM 0 H5'' DC A 5 -8.262 -8.994 2.631 1.00 0.14 H new ATOM 0 H4' DC A 5 -6.539 -8.696 4.038 1.00 0.10 H new ATOM 0 H3' DC A 5 -7.748 -6.253 2.894 1.00 0.11 H new ATOM 0 H2' DC A 5 -5.666 -5.756 1.774 1.00 0.10 H new ATOM 0 H2'' DC A 5 -5.590 -4.860 3.278 1.00 0.10 H new ATOM 0 H1' DC A 5 -4.263 -6.536 4.361 1.00 0.09 H new ATOM 0 H41 DC A 5 0.659 -6.161 0.074 1.00 0.12 H new ATOM 0 H42 DC A 5 1.337 -5.999 1.697 1.00 0.12 H new ATOM 0 H5 DC A 5 -1.716 -6.463 -0.319 1.00 0.12 H new ATOM 0 H6 DC A 5 -3.895 -6.686 0.745 1.00 0.11 H new ATOM 153 P DG A 6 -6.901 -5.299 5.743 1.00 0.18 P ATOM 154 OP1 DG A 6 -7.528 -5.614 7.047 1.00 0.27 O ATOM 155 OP2 DG A 6 -7.320 -4.086 5.004 1.00 0.22 O ATOM 156 O5' DG A 6 -5.300 -5.269 5.949 1.00 0.15 O ATOM 157 C5' DG A 6 -4.674 -4.300 6.804 1.00 0.14 C ATOM 158 C4' DG A 6 -4.023 -3.158 6.029 1.00 0.11 C ATOM 159 O4' DG A 6 -2.955 -3.587 5.173 1.00 0.13 O ATOM 160 C3' DG A 6 -4.970 -2.430 5.073 1.00 0.10 C ATOM 161 O3' DG A 6 -5.803 -1.456 5.715 1.00 0.15 O ATOM 162 C2' DG A 6 -3.990 -1.872 4.031 1.00 0.14 C ATOM 163 C1' DG A 6 -2.628 -2.380 4.478 1.00 0.10 C ATOM 164 N9 DG A 6 -1.627 -2.668 3.431 1.00 0.10 N ATOM 165 C8 DG A 6 -1.735 -3.178 2.166 1.00 0.12 C ATOM 166 N7 DG A 6 -0.542 -3.304 1.542 1.00 0.13 N ATOM 167 C5 DG A 6 0.348 -2.851 2.462 1.00 0.10 C ATOM 168 C6 DG A 6 1.762 -2.734 2.394 1.00 0.11 C ATOM 169 O6 DG A 6 2.526 -3.005 1.471 1.00 0.14 O ATOM 170 N1 DG A 6 2.294 -2.221 3.559 1.00 0.11 N ATOM 171 C2 DG A 6 1.570 -1.853 4.669 1.00 0.10 C ATOM 172 N2 DG A 6 2.251 -1.322 5.688 1.00 0.12 N ATOM 173 N3 DG A 6 0.248 -1.961 4.734 1.00 0.09 N ATOM 174 C4 DG A 6 -0.294 -2.461 3.608 1.00 0.09 C ATOM 0 H5' DG A 6 -3.919 -4.795 7.414 1.00 0.14 H new ATOM 0 H5'' DG A 6 -5.418 -3.891 7.487 1.00 0.14 H new ATOM 0 H4' DG A 6 -3.682 -2.511 6.837 1.00 0.11 H new ATOM 0 H3' DG A 6 -5.733 -3.070 4.629 1.00 0.10 H new ATOM 0 H2' DG A 6 -4.235 -2.223 3.028 1.00 0.14 H new ATOM 0 H2'' DG A 6 -4.018 -0.783 4.003 1.00 0.14 H new ATOM 0 H1' DG A 6 -2.132 -1.597 5.052 1.00 0.10 H new ATOM 0 H8 DG A 6 -2.676 -3.452 1.713 1.00 0.12 H new ATOM 0 H1 DG A 6 3.307 -2.105 3.600 1.00 0.11 H new ATOM 0 H22 DG A 6 3.262 -1.206 5.620 1.00 0.12 H new ATOM 185 P DC A 7 -6.745 -0.457 4.868 1.00 0.16 P ATOM 186 OP1 DC A 7 -7.922 -0.091 5.692 1.00 0.18 O ATOM 187 OP2 DC A 7 -6.944 -1.013 3.508 1.00 0.20 O ATOM 188 O5' DC A 7 -5.775 0.833 4.748 1.00 0.18 O ATOM 189 C5' DC A 7 -5.444 1.655 5.881 1.00 0.15 C ATOM 190 C4' DC A 7 -4.263 1.130 6.726 1.00 0.14 C ATOM 191 O4' DC A 7 -3.048 0.903 5.992 1.00 0.16 O ATOM 192 C3' DC A 7 -4.013 2.020 7.920 1.00 0.13 C ATOM 193 O3' DC A 7 -4.101 1.231 9.118 1.00 0.17 O ATOM 194 C2' DC A 7 -2.569 2.325 7.758 1.00 0.13 C ATOM 195 C1' DC A 7 -2.109 1.896 6.398 1.00 0.14 C ATOM 196 N1 DC A 7 -1.766 2.853 5.315 1.00 0.15 N ATOM 197 C2 DC A 7 -0.614 3.634 5.413 1.00 0.13 C ATOM 198 O2 DC A 7 0.135 3.609 6.387 1.00 0.15 O ATOM 199 N3 DC A 7 -0.315 4.462 4.381 1.00 0.14 N ATOM 200 C4 DC A 7 -1.096 4.531 3.301 1.00 0.15 C ATOM 201 N4 DC A 7 -0.745 5.351 2.318 1.00 0.18 N ATOM 202 C5 DC A 7 -2.279 3.743 3.186 1.00 0.18 C ATOM 203 C6 DC A 7 -2.569 2.924 4.214 1.00 0.18 C ATOM 0 H5' DC A 7 -6.322 1.742 6.521 1.00 0.15 H new ATOM 0 H5'' DC A 7 -5.205 2.659 5.529 1.00 0.15 H new ATOM 0 H4' DC A 7 -4.577 0.144 7.067 1.00 0.14 H new ATOM 0 H3' DC A 7 -4.693 2.870 7.980 1.00 0.13 H new ATOM 0 H2' DC A 7 -2.397 3.393 7.890 1.00 0.13 H new ATOM 0 H2'' DC A 7 -1.991 1.811 8.526 1.00 0.13 H new ATOM 0 H1' DC A 7 -1.080 1.568 6.547 1.00 0.14 H new ATOM 0 H41 DC A 7 -1.325 5.422 1.482 1.00 0.18 H new ATOM 0 H42 DC A 7 0.104 5.910 2.399 1.00 0.18 H new ATOM 0 H5 DC A 7 -2.913 3.801 2.314 1.00 0.18 H new ATOM 0 H6 DC A 7 -3.456 2.310 4.166 1.00 0.18 H new ATOM 215 P DT A 8 -4.129 1.883 10.596 1.00 0.17 P ATOM 216 OP1 DT A 8 -3.960 0.795 11.588 1.00 0.21 O ATOM 217 OP2 DT A 8 -5.323 2.755 10.678 1.00 0.26 O ATOM 218 O5' DT A 8 -2.821 2.841 10.654 1.00 0.17 O ATOM 219 C5' DT A 8 -1.588 2.524 11.330 1.00 0.15 C ATOM 220 C4' DT A 8 -0.611 3.703 11.291 1.00 0.14 C ATOM 221 O4' DT A 8 -0.248 4.039 9.939 1.00 0.15 O ATOM 222 C3' DT A 8 -1.227 4.930 11.952 1.00 0.15 C ATOM 223 O3' DT A 8 -0.524 5.222 13.179 1.00 0.22 O ATOM 224 C2' DT A 8 -1.085 5.949 10.871 1.00 0.14 C ATOM 225 C1' DT A 8 0.000 5.444 9.917 1.00 0.14 C ATOM 226 N1 DT A 8 -0.290 5.956 8.566 1.00 0.12 N ATOM 227 C2 DT A 8 0.632 6.645 7.820 1.00 0.11 C ATOM 228 O2 DT A 8 1.781 6.868 8.184 1.00 0.15 O ATOM 229 N3 DT A 8 0.175 7.074 6.593 1.00 0.10 N ATOM 230 C4 DT A 8 -1.079 6.883 6.057 1.00 0.12 C ATOM 231 O4 DT A 8 -1.322 7.316 4.937 1.00 0.12 O ATOM 232 C5 DT A 8 -1.960 6.146 6.931 1.00 0.12 C ATOM 233 C7 DT A 8 -3.410 5.812 6.616 1.00 0.14 C ATOM 234 C6 DT A 8 -1.525 5.733 8.103 1.00 0.11 C ATOM 0 H5' DT A 8 -1.129 1.653 10.863 1.00 0.15 H new ATOM 0 H5'' DT A 8 -1.797 2.257 12.366 1.00 0.15 H new ATOM 0 H4' DT A 8 0.284 3.399 11.834 1.00 0.14 H new ATOM 0 H3' DT A 8 -2.264 4.846 12.276 1.00 0.15 H new ATOM 0 H2' DT A 8 -2.029 6.085 10.343 1.00 0.14 H new ATOM 0 H2'' DT A 8 -0.811 6.918 11.288 1.00 0.14 H new ATOM 0 H1' DT A 8 1.018 5.734 10.179 1.00 0.14 H new ATOM 0 H3 DT A 8 0.840 7.591 6.017 1.00 0.10 H new ATOM 0 H71 DT A 8 -3.832 6.589 5.978 1.00 0.14 H new ATOM 0 H72 DT A 8 -3.459 4.853 6.100 1.00 0.14 H new ATOM 0 H73 DT A 8 -3.980 5.754 7.543 1.00 0.14 H new ATOM 0 H6 DT A 8 -2.208 5.179 8.730 1.00 0.11 H new ATOM 247 P DA A 9 -0.185 6.676 13.821 1.00 0.25 P ATOM 248 OP1 DA A 9 0.167 6.469 15.245 1.00 0.31 O ATOM 249 OP2 DA A 9 -1.278 7.610 13.470 1.00 0.28 O ATOM 250 O5' DA A 9 1.151 7.156 13.038 1.00 0.28 O ATOM 251 C5' DA A 9 2.411 6.475 13.202 1.00 0.29 C ATOM 252 C4' DA A 9 3.616 7.253 12.664 1.00 0.27 C ATOM 253 O4' DA A 9 3.522 7.530 11.261 1.00 0.25 O ATOM 254 C3' DA A 9 3.848 8.541 13.398 1.00 0.26 C ATOM 255 O3' DA A 9 5.249 8.770 13.603 1.00 0.29 O ATOM 256 C2' DA A 9 3.171 9.451 12.483 1.00 0.23 C ATOM 257 C1' DA A 9 3.439 8.947 11.114 1.00 0.24 C ATOM 258 N9 DA A 9 2.318 9.199 10.216 1.00 0.21 N ATOM 259 C8 DA A 9 1.020 8.940 10.462 1.00 0.20 C ATOM 260 N7 DA A 9 0.192 9.226 9.440 1.00 0.20 N ATOM 261 C5 DA A 9 1.049 9.699 8.496 1.00 0.16 C ATOM 262 C6 DA A 9 0.846 10.170 7.199 1.00 0.15 C ATOM 263 N6 DA A 9 -0.357 10.207 6.645 1.00 0.18 N ATOM 264 N1 DA A 9 1.922 10.576 6.512 1.00 0.15 N ATOM 265 C2 DA A 9 3.126 10.516 7.074 1.00 0.15 C ATOM 266 N3 DA A 9 3.444 10.091 8.281 1.00 0.14 N ATOM 267 C4 DA A 9 2.345 9.693 8.947 1.00 0.15 C ATOM 0 H5' DA A 9 2.359 5.511 12.696 1.00 0.29 H new ATOM 0 H5'' DA A 9 2.567 6.272 14.261 1.00 0.29 H new ATOM 0 H4' DA A 9 4.465 6.591 12.833 1.00 0.27 H new ATOM 0 H3' DA A 9 3.473 8.619 14.419 1.00 0.26 H new ATOM 0 H2' DA A 9 2.100 9.478 12.684 1.00 0.23 H new ATOM 0 H2'' DA A 9 3.543 10.469 12.602 1.00 0.23 H new ATOM 0 H1' DA A 9 4.328 9.426 10.705 1.00 0.24 H new ATOM 0 H8 DA A 9 0.672 8.536 11.401 1.00 0.20 H new ATOM 0 H61 DA A 9 -0.470 10.558 5.694 1.00 0.18 H new ATOM 0 H62 DA A 9 -1.170 9.885 7.170 1.00 0.18 H new ATOM 0 H2 DA A 9 3.948 10.859 6.464 1.00 0.15 H new ATOM 279 P DC A 10 5.825 10.106 14.291 1.00 0.24 P ATOM 280 OP1 DC A 10 7.252 9.882 14.619 1.00 0.28 O ATOM 281 OP2 DC A 10 4.885 10.539 15.351 1.00 0.32 O ATOM 282 O5' DC A 10 5.728 11.143 13.061 1.00 0.20 O ATOM 283 C5' DC A 10 6.725 11.185 12.024 1.00 0.15 C ATOM 284 C4' DC A 10 6.440 12.288 11.013 1.00 0.15 C ATOM 285 O4' DC A 10 5.260 12.000 10.283 1.00 0.18 O ATOM 286 C3' DC A 10 6.247 13.618 11.737 1.00 0.17 C ATOM 287 O3' DC A 10 7.349 14.542 11.633 1.00 0.25 O ATOM 288 C2' DC A 10 5.006 14.113 11.094 1.00 0.16 C ATOM 289 C1' DC A 10 4.746 13.271 9.893 1.00 0.15 C ATOM 290 N1 DC A 10 3.315 13.045 9.709 1.00 0.14 N ATOM 291 C2 DC A 10 2.655 13.363 8.539 1.00 0.13 C ATOM 292 O2 DC A 10 3.216 13.896 7.587 1.00 0.16 O ATOM 293 N3 DC A 10 1.332 13.073 8.471 1.00 0.16 N ATOM 294 C4 DC A 10 0.694 12.504 9.500 1.00 0.18 C ATOM 295 N4 DC A 10 -0.597 12.252 9.327 1.00 0.21 N ATOM 296 C5 DC A 10 1.393 12.181 10.717 1.00 0.16 C ATOM 297 C6 DC A 10 2.690 12.478 10.750 1.00 0.15 C ATOM 0 H5' DC A 10 6.759 10.223 11.513 1.00 0.15 H new ATOM 0 H5'' DC A 10 7.707 11.344 12.469 1.00 0.15 H new ATOM 0 H4' DC A 10 7.287 12.350 10.330 1.00 0.15 H new ATOM 0 H3' DC A 10 6.188 13.504 12.819 1.00 0.17 H new ATOM 0 H2' DC A 10 4.168 14.057 11.788 1.00 0.16 H new ATOM 0 H2'' DC A 10 5.115 15.160 10.810 1.00 0.16 H new ATOM 0 H1' DC A 10 5.165 13.724 8.995 1.00 0.15 H new ATOM 0 H41 DC A 10 -1.137 11.819 10.076 1.00 0.21 H new ATOM 0 H42 DC A 10 -1.050 12.491 8.445 1.00 0.21 H new ATOM 0 H5 DC A 10 0.892 11.723 11.557 1.00 0.16 H new ATOM 0 H6 DC A 10 3.256 12.255 11.643 1.00 0.15 H new ATOM 309 P DC A 11 8.011 15.071 10.247 1.00 0.30 P ATOM 310 OP1 DC A 11 8.245 13.905 9.364 1.00 0.36 O ATOM 311 OP2 DC A 11 9.140 15.963 10.595 1.00 0.47 O ATOM 312 O5' DC A 11 6.854 15.977 9.579 1.00 0.24 O ATOM 313 C5' DC A 11 7.062 16.702 8.353 1.00 0.26 C ATOM 314 C4' DC A 11 5.835 17.534 7.980 1.00 0.25 C ATOM 315 O4' DC A 11 4.646 16.751 7.813 1.00 0.23 O ATOM 316 C3' DC A 11 5.497 18.517 9.075 1.00 0.30 C ATOM 317 O3' DC A 11 6.299 19.699 9.038 1.00 0.37 O ATOM 318 C2' DC A 11 4.027 18.772 8.841 1.00 0.29 C ATOM 319 C1' DC A 11 3.556 17.684 7.888 1.00 0.23 C ATOM 320 N1 DC A 11 2.395 17.001 8.468 1.00 0.20 N ATOM 321 C2 DC A 11 1.181 16.934 7.806 1.00 0.21 C ATOM 322 O2 DC A 11 1.000 17.440 6.701 1.00 0.23 O ATOM 323 N3 DC A 11 0.164 16.279 8.420 1.00 0.21 N ATOM 324 C4 DC A 11 0.331 15.717 9.621 1.00 0.21 C ATOM 325 N4 DC A 11 -0.701 15.100 10.177 1.00 0.24 N ATOM 326 C5 DC A 11 1.586 15.788 10.297 1.00 0.21 C ATOM 327 C6 DC A 11 2.567 16.439 9.677 1.00 0.20 C ATOM 0 H5' DC A 11 7.287 16.002 7.548 1.00 0.26 H new ATOM 0 H5'' DC A 11 7.928 17.355 8.458 1.00 0.26 H new ATOM 0 H4' DC A 11 6.111 18.017 7.043 1.00 0.25 H new ATOM 0 H3' DC A 11 5.705 18.136 10.075 1.00 0.30 H new ATOM 0 H2' DC A 11 3.471 18.736 9.778 1.00 0.29 H new ATOM 0 H2'' DC A 11 3.867 19.761 8.413 1.00 0.29 H new ATOM 0 HO3' DC A 11 6.034 20.297 9.768 1.00 0.37 H new ATOM 0 H1' DC A 11 3.278 18.086 6.914 1.00 0.23 H new ATOM 0 H41 DC A 11 -0.601 14.663 11.093 1.00 0.24 H new ATOM 0 H42 DC A 11 -1.596 15.062 9.689 1.00 0.24 H new ATOM 0 H5 DC A 11 1.733 15.335 11.266 1.00 0.21 H new ATOM 0 H6 DC A 11 3.530 16.518 10.159 1.00 0.20 H new TER 340 DC A 11 ATOM 341 O5' DG B 12 -8.852 13.979 3.450 1.00 0.19 O ATOM 342 C5' DG B 12 -9.007 15.054 2.513 1.00 0.17 C ATOM 343 C4' DG B 12 -7.681 15.577 1.999 1.00 0.14 C ATOM 344 O4' DG B 12 -6.870 16.083 3.077 1.00 0.16 O ATOM 345 C3' DG B 12 -6.937 14.469 1.283 1.00 0.13 C ATOM 346 O3' DG B 12 -6.255 15.073 0.182 1.00 0.13 O ATOM 347 C2' DG B 12 -6.097 14.025 2.446 1.00 0.14 C ATOM 348 C1' DG B 12 -5.665 15.322 3.093 1.00 0.12 C ATOM 349 N9 DG B 12 -5.214 15.102 4.472 1.00 0.16 N ATOM 350 C8 DG B 12 -5.859 14.431 5.459 1.00 0.20 C ATOM 351 N7 DG B 12 -5.182 14.401 6.625 1.00 0.20 N ATOM 352 C5 DG B 12 -4.049 15.093 6.344 1.00 0.17 C ATOM 353 C6 DG B 12 -2.945 15.395 7.181 1.00 0.19 C ATOM 354 O6 DG B 12 -2.751 15.105 8.356 1.00 0.23 O ATOM 355 N1 DG B 12 -1.986 16.120 6.517 1.00 0.18 N ATOM 356 C2 DG B 12 -2.062 16.516 5.206 1.00 0.16 C ATOM 357 N2 DG B 12 -1.037 17.193 4.726 1.00 0.18 N ATOM 358 N3 DG B 12 -3.086 16.247 4.404 1.00 0.15 N ATOM 359 C4 DG B 12 -4.044 15.531 5.039 1.00 0.14 C ATOM 0 H5' DG B 12 -9.555 15.868 2.988 1.00 0.17 H new ATOM 0 H5'' DG B 12 -9.609 14.713 1.671 1.00 0.17 H new ATOM 0 H4' DG B 12 -7.883 16.394 1.307 1.00 0.14 H new ATOM 0 H3' DG B 12 -7.466 13.636 0.820 1.00 0.13 H new ATOM 0 H2' DG B 12 -6.666 13.403 3.137 1.00 0.14 H new ATOM 0 H2'' DG B 12 -5.240 13.436 2.119 1.00 0.14 H new ATOM 0 HO5' DG B 12 -9.735 13.679 3.752 1.00 0.19 H new ATOM 0 H1' DG B 12 -4.829 15.803 2.585 1.00 0.12 H new ATOM 0 H8 DG B 12 -6.824 13.965 5.324 1.00 0.20 H new ATOM 0 H1 DG B 12 -1.151 16.385 7.040 1.00 0.18 H new ATOM 0 H21 DG B 12 -1.044 17.510 3.757 1.00 0.18 H new ATOM 0 H22 DG B 12 -0.237 17.399 5.324 1.00 0.18 H new ATOM 372 P DG B 13 -5.372 14.276 -0.894 1.00 0.14 P ATOM 373 OP1 DG B 13 -5.740 14.758 -2.245 1.00 0.21 O ATOM 374 OP2 DG B 13 -5.416 12.828 -0.585 1.00 0.20 O ATOM 375 O5' DG B 13 -3.918 14.835 -0.513 1.00 0.19 O ATOM 376 C5' DG B 13 -3.485 16.174 -0.814 1.00 0.19 C ATOM 377 C4' DG B 13 -1.989 16.309 -0.546 1.00 0.18 C ATOM 378 O4' DG B 13 -1.691 16.261 0.859 1.00 0.20 O ATOM 379 C3' DG B 13 -1.191 15.236 -1.264 1.00 0.17 C ATOM 380 O3' DG B 13 0.101 15.650 -1.735 1.00 0.18 O ATOM 381 C2' DG B 13 -1.099 14.302 -0.156 1.00 0.16 C ATOM 382 C1' DG B 13 -0.847 15.129 1.052 1.00 0.16 C ATOM 383 N9 DG B 13 -1.231 14.426 2.274 1.00 0.12 N ATOM 384 C8 DG B 13 -2.391 13.776 2.511 1.00 0.13 C ATOM 385 N7 DG B 13 -2.468 13.254 3.758 1.00 0.14 N ATOM 386 C5 DG B 13 -1.276 13.606 4.318 1.00 0.12 C ATOM 387 C6 DG B 13 -0.758 13.348 5.619 1.00 0.13 C ATOM 388 O6 DG B 13 -1.266 12.763 6.572 1.00 0.17 O ATOM 389 N1 DG B 13 0.499 13.879 5.785 1.00 0.13 N ATOM 390 C2 DG B 13 1.192 14.580 4.829 1.00 0.13 C ATOM 391 N2 DG B 13 2.397 15.012 5.146 1.00 0.16 N ATOM 392 N3 DG B 13 0.727 14.834 3.613 1.00 0.13 N ATOM 393 C4 DG B 13 -0.509 14.319 3.426 1.00 0.12 C ATOM 0 H5' DG B 13 -4.038 16.890 -0.206 1.00 0.19 H new ATOM 0 H5'' DG B 13 -3.699 16.409 -1.857 1.00 0.19 H new ATOM 0 H4' DG B 13 -1.698 17.285 -0.934 1.00 0.18 H new ATOM 0 H3' DG B 13 -1.637 14.877 -2.191 1.00 0.17 H new ATOM 0 H2' DG B 13 -2.020 13.728 -0.051 1.00 0.16 H new ATOM 0 H2'' DG B 13 -0.293 13.586 -0.314 1.00 0.16 H new ATOM 0 H1' DG B 13 0.207 15.380 1.168 1.00 0.16 H new ATOM 0 H8 DG B 13 -3.179 13.682 1.778 1.00 0.13 H new ATOM 0 H1 DG B 13 0.952 13.742 6.688 1.00 0.13 H new ATOM 0 H21 DG B 13 2.946 15.537 4.465 1.00 0.16 H new ATOM 0 H22 DG B 13 2.780 14.821 6.072 1.00 0.16 H new ATOM 405 P DT B 14 1.055 14.653 -2.576 1.00 0.16 P ATOM 406 OP1 DT B 14 0.525 14.599 -3.958 1.00 0.21 O ATOM 407 OP2 DT B 14 1.214 13.390 -1.814 1.00 0.18 O ATOM 408 O5' DT B 14 2.479 15.423 -2.631 1.00 0.19 O ATOM 409 C5' DT B 14 3.329 15.833 -1.535 1.00 0.19 C ATOM 410 C4' DT B 14 3.770 14.715 -0.574 1.00 0.18 C ATOM 411 O4' DT B 14 2.808 14.284 0.408 1.00 0.20 O ATOM 412 C3' DT B 14 4.364 13.508 -1.257 1.00 0.18 C ATOM 413 O3' DT B 14 5.788 13.705 -1.253 1.00 0.26 O ATOM 414 C2' DT B 14 3.855 12.431 -0.324 1.00 0.18 C ATOM 415 C1' DT B 14 3.387 13.087 0.951 1.00 0.15 C ATOM 416 N1 DT B 14 2.395 12.336 1.744 1.00 0.15 N ATOM 417 C2 DT B 14 2.590 12.098 3.099 1.00 0.16 C ATOM 418 O2 DT B 14 3.583 12.454 3.727 1.00 0.18 O ATOM 419 N3 DT B 14 1.576 11.416 3.732 1.00 0.15 N ATOM 420 C4 DT B 14 0.412 10.961 3.155 1.00 0.15 C ATOM 421 O4 DT B 14 -0.413 10.381 3.853 1.00 0.17 O ATOM 422 C5 DT B 14 0.316 11.259 1.745 1.00 0.13 C ATOM 423 C7 DT B 14 -0.870 10.872 0.894 1.00 0.14 C ATOM 424 C6 DT B 14 1.286 11.912 1.121 1.00 0.14 C ATOM 0 H5' DT B 14 2.804 16.595 -0.959 1.00 0.19 H new ATOM 0 H5'' DT B 14 4.221 16.304 -1.948 1.00 0.19 H new ATOM 0 H4' DT B 14 4.553 15.235 -0.022 1.00 0.18 H new ATOM 0 H3' DT B 14 4.112 13.290 -2.295 1.00 0.18 H new ATOM 0 H2' DT B 14 3.037 11.881 -0.790 1.00 0.18 H new ATOM 0 H2'' DT B 14 4.644 11.709 -0.112 1.00 0.18 H new ATOM 0 H1' DT B 14 4.194 13.204 1.674 1.00 0.15 H new ATOM 0 H3 DT B 14 1.699 11.229 4.727 1.00 0.15 H new ATOM 0 H71 DT B 14 -1.319 9.961 1.289 1.00 0.14 H new ATOM 0 H72 DT B 14 -1.606 11.676 0.909 1.00 0.14 H new ATOM 0 H73 DT B 14 -0.542 10.700 -0.131 1.00 0.14 H new ATOM 0 H6 DT B 14 1.178 12.111 0.065 1.00 0.14 H new ATOM 437 P DA B 15 6.884 12.647 -1.780 1.00 0.31 P ATOM 438 OP1 DA B 15 8.138 13.380 -2.070 1.00 0.42 O ATOM 439 OP2 DA B 15 6.259 11.807 -2.830 1.00 0.38 O ATOM 440 O5' DA B 15 7.104 11.749 -0.464 1.00 0.25 O ATOM 441 C5' DA B 15 7.726 12.257 0.732 1.00 0.21 C ATOM 442 C4' DA B 15 7.751 11.186 1.823 1.00 0.15 C ATOM 443 O4' DA B 15 6.433 10.837 2.277 1.00 0.17 O ATOM 444 C3' DA B 15 8.444 9.927 1.326 1.00 0.16 C ATOM 445 O3' DA B 15 9.544 9.633 2.191 1.00 0.20 O ATOM 446 C2' DA B 15 7.303 8.952 1.340 1.00 0.16 C ATOM 447 C1' DA B 15 6.374 9.416 2.420 1.00 0.15 C ATOM 448 N9 DA B 15 4.979 9.057 2.186 1.00 0.11 N ATOM 449 C8 DA B 15 4.294 9.083 1.022 1.00 0.13 C ATOM 450 N7 DA B 15 2.994 8.734 1.156 1.00 0.13 N ATOM 451 C5 DA B 15 2.882 8.475 2.487 1.00 0.11 C ATOM 452 C6 DA B 15 1.806 8.068 3.290 1.00 0.11 C ATOM 453 N6 DA B 15 0.581 7.853 2.821 1.00 0.14 N ATOM 454 N1 DA B 15 2.043 7.899 4.596 1.00 0.12 N ATOM 455 C2 DA B 15 3.256 8.117 5.090 1.00 0.11 C ATOM 456 N3 DA B 15 4.337 8.501 4.442 1.00 0.11 N ATOM 457 C4 DA B 15 4.077 8.664 3.129 1.00 0.11 C ATOM 0 H5' DA B 15 7.183 13.133 1.087 1.00 0.21 H new ATOM 0 H5'' DA B 15 8.743 12.581 0.510 1.00 0.21 H new ATOM 0 H4' DA B 15 8.303 11.614 2.660 1.00 0.15 H new ATOM 0 H3' DA B 15 8.911 9.956 0.342 1.00 0.16 H new ATOM 0 H2' DA B 15 6.798 8.929 0.374 1.00 0.16 H new ATOM 0 H2'' DA B 15 7.657 7.940 1.538 1.00 0.16 H new ATOM 0 H1' DA B 15 6.662 8.987 3.380 1.00 0.15 H new ATOM 0 H8 DA B 15 4.740 9.356 0.077 1.00 0.13 H new ATOM 0 H61 DA B 15 -0.163 7.558 3.454 1.00 0.14 H new ATOM 0 H62 DA B 15 0.385 7.983 1.829 1.00 0.14 H new ATOM 0 H2 DA B 15 3.371 7.960 6.152 1.00 0.11 H new ATOM 469 P DG B 16 10.890 8.881 1.715 1.00 0.17 P ATOM 470 OP1 DG B 16 12.054 9.587 2.298 1.00 0.20 O ATOM 471 OP2 DG B 16 10.825 8.653 0.252 1.00 0.23 O ATOM 472 O5' DG B 16 10.721 7.469 2.457 1.00 0.26 O ATOM 473 C5' DG B 16 10.776 7.347 3.890 1.00 0.26 C ATOM 474 C4' DG B 16 9.749 6.349 4.399 1.00 0.22 C ATOM 475 O4' DG B 16 8.392 6.756 4.132 1.00 0.22 O ATOM 476 C3' DG B 16 9.919 5.029 3.672 1.00 0.23 C ATOM 477 O3' DG B 16 10.908 4.163 4.252 1.00 0.28 O ATOM 478 C2' DG B 16 8.526 4.471 3.876 1.00 0.21 C ATOM 479 C1' DG B 16 7.620 5.575 4.387 1.00 0.20 C ATOM 480 N9 DG B 16 6.360 5.535 3.625 1.00 0.18 N ATOM 481 C8 DG B 16 6.262 5.665 2.295 1.00 0.18 C ATOM 482 N7 DG B 16 5.011 5.567 1.809 1.00 0.16 N ATOM 483 C5 DG B 16 4.278 5.357 2.931 1.00 0.15 C ATOM 484 C6 DG B 16 2.883 5.170 3.063 1.00 0.14 C ATOM 485 O6 DG B 16 2.007 5.162 2.205 1.00 0.17 O ATOM 486 N1 DG B 16 2.521 4.977 4.365 1.00 0.14 N ATOM 487 C2 DG B 16 3.363 4.965 5.441 1.00 0.15 C ATOM 488 N2 DG B 16 2.798 4.742 6.618 1.00 0.16 N ATOM 489 N3 DG B 16 4.681 5.146 5.346 1.00 0.16 N ATOM 490 C4 DG B 16 5.072 5.334 4.059 1.00 0.16 C ATOM 0 H5' DG B 16 10.598 8.320 4.347 1.00 0.26 H new ATOM 0 H5'' DG B 16 11.774 7.031 4.192 1.00 0.26 H new ATOM 0 H4' DG B 16 9.914 6.275 5.474 1.00 0.22 H new ATOM 0 H3' DG B 16 10.266 5.131 2.644 1.00 0.23 H new ATOM 0 H2' DG B 16 8.140 4.071 2.938 1.00 0.21 H new ATOM 0 H2'' DG B 16 8.552 3.646 4.588 1.00 0.21 H new ATOM 0 H1' DG B 16 7.335 5.505 5.437 1.00 0.20 H new ATOM 0 H8 DG B 16 7.120 5.835 1.662 1.00 0.18 H new ATOM 0 H1 DG B 16 1.529 4.828 4.552 1.00 0.14 H new ATOM 0 H21 DG B 16 3.370 4.720 7.462 1.00 0.16 H new ATOM 0 H22 DG B 16 1.791 4.592 6.680 1.00 0.16 H new ATOM 502 P DC B 17 11.251 2.688 3.656 1.00 0.29 P ATOM 503 OP1 DC B 17 12.600 2.749 3.050 1.00 0.37 O ATOM 504 OP2 DC B 17 10.109 2.197 2.850 1.00 0.29 O ATOM 505 O5' DC B 17 11.353 1.801 5.002 1.00 0.31 O ATOM 506 C5' DC B 17 10.427 1.919 6.097 1.00 0.28 C ATOM 507 C4' DC B 17 9.332 0.852 6.122 1.00 0.23 C ATOM 508 O4' DC B 17 8.410 0.888 5.021 1.00 0.22 O ATOM 509 C3' DC B 17 9.902 -0.565 6.138 1.00 0.23 C ATOM 510 O3' DC B 17 10.248 -0.938 7.485 1.00 0.22 O ATOM 511 C2' DC B 17 8.781 -1.351 5.454 1.00 0.23 C ATOM 512 C1' DC B 17 7.677 -0.345 5.149 1.00 0.20 C ATOM 513 N1 DC B 17 6.911 -0.656 3.916 1.00 0.19 N ATOM 514 C2 DC B 17 5.693 -1.330 4.029 1.00 0.17 C ATOM 515 O2 DC B 17 5.200 -1.644 5.109 1.00 0.16 O ATOM 516 N3 DC B 17 5.012 -1.627 2.898 1.00 0.17 N ATOM 517 C4 DC B 17 5.485 -1.286 1.700 1.00 0.20 C ATOM 518 N4 DC B 17 4.763 -1.617 0.638 1.00 0.21 N ATOM 519 C5 DC B 17 6.729 -0.590 1.557 1.00 0.22 C ATOM 520 C6 DC B 17 7.404 -0.297 2.688 1.00 0.22 C ATOM 0 H5' DC B 17 9.958 2.902 6.054 1.00 0.28 H new ATOM 0 H5'' DC B 17 10.984 1.872 7.033 1.00 0.28 H new ATOM 0 H4' DC B 17 8.799 1.096 7.041 1.00 0.23 H new ATOM 0 H3' DC B 17 10.845 -0.734 5.617 1.00 0.23 H new ATOM 0 H2' DC B 17 9.140 -1.824 4.540 1.00 0.23 H new ATOM 0 H2'' DC B 17 8.413 -2.147 6.101 1.00 0.23 H new ATOM 0 H1' DC B 17 6.907 -0.331 5.921 1.00 0.20 H new ATOM 0 H41 DC B 17 5.090 -1.374 -0.297 1.00 0.21 H new ATOM 0 H42 DC B 17 3.880 -2.114 0.756 1.00 0.21 H new ATOM 0 H5 DC B 17 7.110 -0.312 0.586 1.00 0.22 H new ATOM 0 H6 DC B 17 8.346 0.228 2.625 1.00 0.22 H new ATOM 532 P DG B 18 10.055 -2.395 8.155 1.00 0.20 P ATOM 533 OP1 DG B 18 10.508 -2.325 9.564 1.00 0.21 O ATOM 534 OP2 DG B 18 10.621 -3.417 7.244 1.00 0.23 O ATOM 535 O5' DG B 18 8.445 -2.518 8.141 1.00 0.18 O ATOM 536 C5' DG B 18 7.608 -1.478 8.687 1.00 0.17 C ATOM 537 C4' DG B 18 6.191 -1.919 8.937 1.00 0.15 C ATOM 538 O4' DG B 18 5.438 -2.268 7.766 1.00 0.14 O ATOM 539 C3' DG B 18 6.198 -3.135 9.872 1.00 0.14 C ATOM 540 O3' DG B 18 5.431 -2.937 11.077 1.00 0.16 O ATOM 541 C2' DG B 18 5.683 -4.171 8.921 1.00 0.12 C ATOM 542 C1' DG B 18 4.661 -3.421 8.106 1.00 0.11 C ATOM 543 N9 DG B 18 4.327 -4.105 6.854 1.00 0.09 N ATOM 544 C8 DG B 18 5.240 -4.539 5.974 1.00 0.09 C ATOM 545 N7 DG B 18 4.721 -5.096 4.863 1.00 0.09 N ATOM 546 C5 DG B 18 3.380 -5.001 5.077 1.00 0.07 C ATOM 547 C6 DG B 18 2.305 -5.422 4.254 1.00 0.08 C ATOM 548 O6 DG B 18 2.333 -5.956 3.148 1.00 0.11 O ATOM 549 N1 DG B 18 1.086 -5.154 4.824 1.00 0.08 N ATOM 550 C2 DG B 18 0.892 -4.553 6.039 1.00 0.08 C ATOM 551 N2 DG B 18 -0.367 -4.397 6.420 1.00 0.11 N ATOM 552 N3 DG B 18 1.889 -4.146 6.829 1.00 0.09 N ATOM 553 C4 DG B 18 3.107 -4.401 6.288 1.00 0.08 C ATOM 0 H5' DG B 18 7.601 -0.630 8.002 1.00 0.17 H new ATOM 0 H5'' DG B 18 8.042 -1.127 9.623 1.00 0.17 H new ATOM 0 H4' DG B 18 5.698 -1.050 9.373 1.00 0.15 H new ATOM 0 H3' DG B 18 7.158 -3.395 10.318 1.00 0.14 H new ATOM 0 H2' DG B 18 6.480 -4.573 8.295 1.00 0.12 H new ATOM 0 H2'' DG B 18 5.236 -5.014 9.448 1.00 0.12 H new ATOM 0 H1' DG B 18 3.717 -3.270 8.630 1.00 0.11 H new ATOM 0 H8 DG B 18 6.303 -4.450 6.142 1.00 0.09 H new ATOM 0 H1 DG B 18 0.255 -5.425 4.299 1.00 0.08 H new ATOM 0 H21 DG B 18 -0.578 -3.956 7.315 1.00 0.11 H new ATOM 0 H22 DG B 18 -1.125 -4.718 5.818 1.00 0.11 H new ATOM 565 P DA B 19 4.910 -4.126 12.046 1.00 0.14 P ATOM 566 OP1 DA B 19 4.904 -3.625 13.441 1.00 0.19 O ATOM 567 OP2 DA B 19 5.644 -5.368 11.713 1.00 0.18 O ATOM 568 O5' DA B 19 3.382 -4.301 11.560 1.00 0.10 O ATOM 569 C5' DA B 19 2.367 -3.318 11.843 1.00 0.09 C ATOM 570 C4' DA B 19 0.957 -3.914 11.747 1.00 0.09 C ATOM 571 O4' DA B 19 0.621 -4.345 10.418 1.00 0.11 O ATOM 572 C3' DA B 19 0.736 -5.067 12.702 1.00 0.08 C ATOM 573 O3' DA B 19 -0.587 -5.059 13.261 1.00 0.10 O ATOM 574 C2' DA B 19 1.033 -6.180 11.780 1.00 0.08 C ATOM 575 C1' DA B 19 0.456 -5.769 10.450 1.00 0.10 C ATOM 576 N9 DA B 19 1.256 -6.316 9.341 1.00 0.09 N ATOM 577 C8 DA B 19 2.599 -6.227 9.207 1.00 0.08 C ATOM 578 N7 DA B 19 3.085 -6.794 8.089 1.00 0.07 N ATOM 579 C5 DA B 19 1.966 -7.268 7.489 1.00 0.06 C ATOM 580 C6 DA B 19 1.777 -7.960 6.293 1.00 0.07 C ATOM 581 N6 DA B 19 2.788 -8.273 5.497 1.00 0.09 N ATOM 582 N1 DA B 19 0.528 -8.305 5.957 1.00 0.08 N ATOM 583 C2 DA B 19 -0.474 -7.977 6.765 1.00 0.10 C ATOM 584 N3 DA B 19 -0.429 -7.325 7.915 1.00 0.11 N ATOM 585 C4 DA B 19 0.841 -6.994 8.225 1.00 0.08 C ATOM 0 H5' DA B 19 2.459 -2.488 11.143 1.00 0.09 H new ATOM 0 H5'' DA B 19 2.523 -2.911 12.842 1.00 0.09 H new ATOM 0 H4' DA B 19 0.299 -3.092 12.029 1.00 0.09 H new ATOM 0 H3' DA B 19 1.338 -5.081 13.611 1.00 0.08 H new ATOM 0 H2' DA B 19 2.107 -6.351 11.705 1.00 0.08 H new ATOM 0 H2'' DA B 19 0.586 -7.110 12.131 1.00 0.08 H new ATOM 0 H1' DA B 19 -0.573 -6.114 10.344 1.00 0.10 H new ATOM 0 H8 DA B 19 3.229 -5.741 9.937 1.00 0.08 H new ATOM 0 H61 DA B 19 2.616 -8.780 4.629 1.00 0.09 H new ATOM 0 H62 DA B 19 3.739 -8.007 5.752 1.00 0.09 H new ATOM 0 H2 DA B 19 -1.457 -8.284 6.439 1.00 0.10 H new ATOM 597 P DT B 20 -1.162 -6.206 14.244 1.00 0.13 P ATOM 598 OP1 DT B 20 -2.296 -5.622 14.994 1.00 0.17 O ATOM 599 OP2 DT B 20 -0.028 -6.808 14.985 1.00 0.17 O ATOM 600 O5' DT B 20 -1.737 -7.308 13.213 1.00 0.16 O ATOM 601 C5' DT B 20 -2.931 -7.060 12.447 1.00 0.17 C ATOM 602 C4' DT B 20 -3.256 -8.200 11.482 1.00 0.17 C ATOM 603 O4' DT B 20 -2.259 -8.375 10.459 1.00 0.16 O ATOM 604 C3' DT B 20 -3.493 -9.532 12.170 1.00 0.20 C ATOM 605 O3' DT B 20 -4.715 -10.098 11.684 1.00 0.25 O ATOM 606 C2' DT B 20 -2.245 -10.263 11.722 1.00 0.16 C ATOM 607 C1' DT B 20 -2.049 -9.778 10.291 1.00 0.14 C ATOM 608 N1 DT B 20 -0.705 -9.965 9.699 1.00 0.11 N ATOM 609 C2 DT B 20 -0.592 -10.508 8.432 1.00 0.10 C ATOM 610 O2 DT B 20 -1.547 -10.882 7.759 1.00 0.13 O ATOM 611 N3 DT B 20 0.688 -10.616 7.940 1.00 0.08 N ATOM 612 C4 DT B 20 1.847 -10.242 8.578 1.00 0.08 C ATOM 613 O4 DT B 20 2.917 -10.395 7.998 1.00 0.08 O ATOM 614 C5 DT B 20 1.632 -9.690 9.894 1.00 0.08 C ATOM 615 C7 DT B 20 2.766 -9.205 10.788 1.00 0.09 C ATOM 616 C6 DT B 20 0.400 -9.578 10.386 1.00 0.10 C ATOM 0 H5' DT B 20 -2.811 -6.135 11.884 1.00 0.17 H new ATOM 0 H5'' DT B 20 -3.771 -6.913 13.126 1.00 0.17 H new ATOM 0 H4' DT B 20 -4.190 -7.884 11.016 1.00 0.17 H new ATOM 0 H3' DT B 20 -3.619 -9.531 13.253 1.00 0.20 H new ATOM 0 H2' DT B 20 -1.388 -10.019 12.350 1.00 0.16 H new ATOM 0 H2'' DT B 20 -2.375 -11.344 11.766 1.00 0.16 H new ATOM 0 H1' DT B 20 -2.700 -10.332 9.614 1.00 0.14 H new ATOM 0 H3 DT B 20 0.787 -11.014 7.006 1.00 0.08 H new ATOM 0 H71 DT B 20 2.406 -8.398 11.426 1.00 0.09 H new ATOM 0 H72 DT B 20 3.118 -10.029 11.409 1.00 0.09 H new ATOM 0 H73 DT B 20 3.586 -8.841 10.170 1.00 0.09 H new ATOM 0 H6 DT B 20 0.274 -9.161 11.374 1.00 0.10 H new ATOM 629 P DG B 21 -5.385 -11.382 12.383 1.00 0.32 P ATOM 630 OP1 DG B 21 -6.789 -11.471 11.921 1.00 0.41 O ATOM 631 OP2 DG B 21 -5.091 -11.335 13.835 1.00 0.39 O ATOM 632 O5' DG B 21 -4.533 -12.587 11.732 1.00 0.24 O ATOM 633 C5' DG B 21 -4.971 -13.279 10.554 1.00 0.19 C ATOM 634 C4' DG B 21 -3.925 -14.245 10.008 1.00 0.12 C ATOM 635 O4' DG B 21 -2.783 -13.642 9.390 1.00 0.12 O ATOM 636 C3' DG B 21 -3.392 -15.202 11.073 1.00 0.12 C ATOM 637 O3' DG B 21 -4.161 -16.419 11.111 1.00 0.11 O ATOM 638 C2' DG B 21 -1.928 -15.307 10.670 1.00 0.11 C ATOM 639 C1' DG B 21 -1.836 -14.716 9.292 1.00 0.09 C ATOM 640 N9 DG B 21 -0.508 -14.163 9.033 1.00 0.08 N ATOM 641 C8 DG B 21 0.176 -13.337 9.843 1.00 0.10 C ATOM 642 N7 DG B 21 1.390 -12.990 9.364 1.00 0.10 N ATOM 643 C5 DG B 21 1.451 -13.648 8.174 1.00 0.08 C ATOM 644 C6 DG B 21 2.487 -13.677 7.197 1.00 0.09 C ATOM 645 O6 DG B 21 3.580 -13.119 7.185 1.00 0.12 O ATOM 646 N1 DG B 21 2.154 -14.468 6.122 1.00 0.10 N ATOM 647 C2 DG B 21 0.977 -15.158 5.982 1.00 0.09 C ATOM 648 N2 DG B 21 0.828 -15.877 4.884 1.00 0.10 N ATOM 649 N3 DG B 21 -0.001 -15.145 6.881 1.00 0.07 N ATOM 650 C4 DG B 21 0.303 -14.371 7.950 1.00 0.07 C ATOM 0 H5' DG B 21 -5.222 -12.550 9.783 1.00 0.19 H new ATOM 0 H5'' DG B 21 -5.884 -13.830 10.781 1.00 0.19 H new ATOM 0 H4' DG B 21 -4.492 -14.772 9.241 1.00 0.12 H new ATOM 0 H3' DG B 21 -3.480 -14.883 12.111 1.00 0.12 H new ATOM 0 H2' DG B 21 -1.291 -14.767 11.370 1.00 0.11 H new ATOM 0 H2'' DG B 21 -1.596 -16.345 10.673 1.00 0.11 H new ATOM 0 H1' DG B 21 -2.021 -15.438 8.496 1.00 0.09 H new ATOM 0 H8 DG B 21 -0.209 -12.984 10.788 1.00 0.10 H new ATOM 0 H1 DG B 21 2.837 -14.548 5.369 1.00 0.10 H new ATOM 0 H21 DG B 21 -0.030 -16.408 4.735 1.00 0.10 H new ATOM 0 H22 DG B 21 1.571 -15.901 4.186 1.00 0.10 H new ATOM 662 P DG B 22 -3.588 -17.930 11.194 1.00 0.12 P ATOM 663 OP1 DG B 22 -4.719 -18.849 11.454 1.00 0.17 O ATOM 664 OP2 DG B 22 -2.406 -17.947 12.089 1.00 0.17 O ATOM 665 O5' DG B 22 -3.065 -18.192 9.686 1.00 0.12 O ATOM 666 C5' DG B 22 -3.957 -18.225 8.558 1.00 0.11 C ATOM 667 C4' DG B 22 -3.429 -19.091 7.401 1.00 0.08 C ATOM 668 O4' DG B 22 -2.212 -18.594 6.821 1.00 0.11 O ATOM 669 C3' DG B 22 -3.177 -20.525 7.770 1.00 0.11 C ATOM 670 O3' DG B 22 -3.214 -21.327 6.593 1.00 0.14 O ATOM 671 C2' DG B 22 -1.790 -20.386 8.245 1.00 0.13 C ATOM 672 C1' DG B 22 -1.145 -19.451 7.254 1.00 0.12 C ATOM 673 N9 DG B 22 -0.110 -18.609 7.868 1.00 0.12 N ATOM 674 C8 DG B 22 -0.130 -18.008 9.081 1.00 0.12 C ATOM 675 N7 DG B 22 0.970 -17.271 9.342 1.00 0.12 N ATOM 676 C5 DG B 22 1.717 -17.430 8.218 1.00 0.12 C ATOM 677 C6 DG B 22 2.990 -16.898 7.888 1.00 0.13 C ATOM 678 O6 DG B 22 3.721 -16.149 8.529 1.00 0.14 O ATOM 679 N1 DG B 22 3.404 -17.305 6.641 1.00 0.14 N ATOM 680 C2 DG B 22 2.695 -18.123 5.795 1.00 0.15 C ATOM 681 N2 DG B 22 3.235 -18.420 4.628 1.00 0.17 N ATOM 682 N3 DG B 22 1.503 -18.629 6.085 1.00 0.14 N ATOM 683 C4 DG B 22 1.077 -18.242 7.309 1.00 0.12 C ATOM 0 H5' DG B 22 -4.119 -17.208 8.200 1.00 0.11 H new ATOM 0 H5'' DG B 22 -4.926 -18.608 8.879 1.00 0.11 H new ATOM 0 H4' DG B 22 -4.244 -19.035 6.680 1.00 0.08 H new ATOM 0 H3' DG B 22 -3.877 -20.980 8.471 1.00 0.11 H new ATOM 0 H2' DG B 22 -1.755 -19.979 9.256 1.00 0.13 H new ATOM 0 H2'' DG B 22 -1.281 -21.349 8.272 1.00 0.13 H new ATOM 0 HO3' DG B 22 -3.048 -22.263 6.830 1.00 0.14 H new ATOM 0 H1' DG B 22 -0.664 -20.018 6.457 1.00 0.12 H new ATOM 0 H8 DG B 22 -0.951 -18.109 9.776 1.00 0.12 H new ATOM 0 H1 DG B 22 4.312 -16.972 6.318 1.00 0.14 H new ATOM 0 H21 DG B 22 2.737 -19.025 3.975 1.00 0.17 H new ATOM 0 H22 DG B 22 4.150 -18.045 4.379 1.00 0.17 H new TER 696 DG B 22 HETATM 697 C1 BPJ A 25 1.665 -0.456 6.535 1.00 0.13 C HETATM 698 C2 BPJ A 25 1.384 -1.021 7.958 1.00 0.12 C HETATM 699 O2 BPJ A 25 0.266 -1.904 8.112 1.00 0.13 O HETATM 700 C3 BPJ A 25 1.235 0.183 8.937 1.00 0.14 C HETATM 701 O3 BPJ A 25 0.297 1.197 8.524 1.00 0.17 O HETATM 702 C4 BPJ A 25 2.656 0.814 9.032 1.00 0.17 C HETATM 703 O4 BPJ A 25 3.473 -0.075 9.791 1.00 0.19 O HETATM 704 C5 BPJ A 25 4.469 1.787 7.718 1.00 0.18 C HETATM 705 C6 BPJ A 25 5.077 2.124 6.506 1.00 0.17 C HETATM 706 C7 BPJ A 25 5.112 2.135 4.159 1.00 0.17 C HETATM 707 C8 BPJ A 25 4.577 1.883 2.886 1.00 0.17 C HETATM 708 C9 BPJ A 25 2.644 1.394 1.508 1.00 0.17 C HETATM 709 C10 BPJ A 25 1.259 1.184 1.385 1.00 0.18 C HETATM 710 C11 BPJ A 25 0.474 1.069 2.546 1.00 0.17 C HETATM 711 C12 BPJ A 25 1.080 1.135 3.814 1.00 0.15 C HETATM 712 C13 BPJ A 25 2.635 0.632 6.501 1.00 0.14 C HETATM 713 C14 BPJ A 25 3.263 1.042 7.735 1.00 0.16 C HETATM 714 C15 BPJ A 25 4.413 1.823 5.315 1.00 0.16 C HETATM 715 C16 BPJ A 25 3.145 1.206 5.273 1.00 0.14 C HETATM 716 C17 BPJ A 25 2.485 1.270 3.993 1.00 0.14 C HETATM 717 C18 BPJ A 25 3.231 1.481 2.790 1.00 0.15 C HETATM 0 H11A BPJ A 25 0.727 -0.104 6.105 1.00 0.13 H new HETATM 0 HO4 BPJ A 25 4.250 0.411 10.138 1.00 0.19 H new HETATM 0 HO3 BPJ A 25 0.343 1.956 9.142 1.00 0.17 H new HETATM 0 HO2 BPJ A 25 0.200 -2.188 9.048 1.00 0.13 H new HETATM 0 H9 BPJ A 25 3.263 1.489 0.616 1.00 0.17 H new HETATM 0 H8 BPJ A 25 5.190 1.996 1.992 1.00 0.17 H new HETATM 0 H7 BPJ A 25 6.101 2.587 4.241 1.00 0.17 H new HETATM 0 H6 BPJ A 25 6.051 2.613 6.490 1.00 0.17 H new HETATM 0 H5 BPJ A 25 4.925 2.099 8.657 1.00 0.18 H new HETATM 0 H4 BPJ A 25 2.567 1.791 9.507 1.00 0.17 H new HETATM 0 H3 BPJ A 25 0.839 -0.189 9.882 1.00 0.14 H new HETATM 0 H2 BPJ A 25 2.239 -1.660 8.178 1.00 0.12 H new HETATM 0 H12 BPJ A 25 0.445 1.080 4.698 1.00 0.15 H new HETATM 0 H11 BPJ A 25 -0.604 0.929 2.464 1.00 0.17 H new HETATM 0 H10 BPJ A 25 0.799 1.111 0.400 1.00 0.18 H new