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 27:sc= 0.00685 USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.653 (180deg=-0.653) USER MOD Single : A 8 DT C7 :methyl 150:sc= -0.418 (180deg=-0.418) USER MOD Single : A 11 DC O3' : rot 180:sc= 0 USER MOD Single : A 25 BPJ O2 : rot 136:sc= 1.02 USER MOD Single : A 25 BPJ O3 : rot 180:sc= -0.0652 USER MOD Single : A 25 BPJ O4 : rot -160:sc= -0.228 USER MOD Single : B 12 DG O5' : rot 180:sc= 0 USER MOD Single : B 14 DT C7 :methyl 150:sc= -1.33 (180deg=-1.33) USER MOD Single : B 20 DT C7 :methyl 150:sc= -0.902 (180deg=-0.902) USER MOD Single : B 22 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 11.765 -19.088 4.851 1.00 0.21 O ATOM 2 C5' DC A 1 11.327 -19.990 3.826 1.00 0.19 C ATOM 3 C4' DC A 1 10.032 -19.521 3.184 1.00 0.15 C ATOM 4 O4' DC A 1 9.039 -19.370 4.197 1.00 0.15 O ATOM 5 C3' DC A 1 10.196 -18.161 2.521 1.00 0.14 C ATOM 6 O3' DC A 1 10.557 -18.213 1.121 1.00 0.16 O ATOM 7 C2' DC A 1 8.804 -17.636 2.669 1.00 0.12 C ATOM 8 C1' DC A 1 8.042 -18.521 3.630 1.00 0.12 C ATOM 9 N1 DC A 1 7.412 -17.770 4.722 1.00 0.11 N ATOM 10 C2 DC A 1 6.056 -17.889 4.962 1.00 0.10 C ATOM 11 O2 DC A 1 5.336 -18.601 4.273 1.00 0.11 O ATOM 12 N3 DC A 1 5.521 -17.182 5.988 1.00 0.11 N ATOM 13 C4 DC A 1 6.285 -16.391 6.747 1.00 0.11 C ATOM 14 N4 DC A 1 5.698 -15.734 7.741 1.00 0.14 N ATOM 15 C5 DC A 1 7.692 -16.266 6.494 1.00 0.12 C ATOM 16 C6 DC A 1 8.192 -16.977 5.477 1.00 0.12 C ATOM 0 H5' DC A 1 11.184 -20.983 4.251 1.00 0.19 H new ATOM 0 H5'' DC A 1 12.101 -20.078 3.063 1.00 0.19 H new ATOM 0 H4' DC A 1 9.749 -20.262 2.436 1.00 0.15 H new ATOM 0 H3' DC A 1 11.000 -17.572 2.962 1.00 0.14 H new ATOM 0 H2' DC A 1 8.826 -16.611 3.038 1.00 0.12 H new ATOM 0 H2'' DC A 1 8.305 -17.615 1.700 1.00 0.12 H new ATOM 0 HO5' DC A 1 10.991 -18.620 5.228 1.00 0.21 H new ATOM 0 H1' DC A 1 7.241 -19.041 3.105 1.00 0.12 H new ATOM 0 H41 DC A 1 6.248 -15.121 8.342 1.00 0.14 H new ATOM 0 H42 DC A 1 4.697 -15.843 7.903 1.00 0.14 H new ATOM 0 H5 DC A 1 8.319 -15.627 7.098 1.00 0.12 H new ATOM 0 H6 DC A 1 9.247 -16.912 5.257 1.00 0.12 H new ATOM 29 P DC A 2 9.812 -19.092 -0.034 1.00 0.17 P ATOM 30 OP1 DC A 2 9.837 -20.510 0.395 1.00 0.21 O ATOM 31 OP2 DC A 2 10.398 -18.711 -1.338 1.00 0.20 O ATOM 32 O5' DC A 2 8.277 -18.572 -0.004 1.00 0.15 O ATOM 33 C5' DC A 2 7.175 -19.378 -0.470 1.00 0.16 C ATOM 34 C4' DC A 2 5.831 -18.634 -0.446 1.00 0.14 C ATOM 35 O4' DC A 2 5.525 -18.198 0.893 1.00 0.14 O ATOM 36 C3' DC A 2 5.848 -17.376 -1.338 1.00 0.14 C ATOM 37 O3' DC A 2 5.137 -17.457 -2.591 1.00 0.18 O ATOM 38 C2' DC A 2 5.293 -16.315 -0.425 1.00 0.11 C ATOM 39 C1' DC A 2 4.684 -17.041 0.784 1.00 0.11 C ATOM 40 N1 DC A 2 4.809 -16.224 1.993 1.00 0.09 N ATOM 41 C2 DC A 2 3.737 -15.961 2.843 1.00 0.09 C ATOM 42 O2 DC A 2 2.612 -16.413 2.650 1.00 0.12 O ATOM 43 N3 DC A 2 3.958 -15.171 3.928 1.00 0.09 N ATOM 44 C4 DC A 2 5.171 -14.665 4.165 1.00 0.08 C ATOM 45 N4 DC A 2 5.360 -13.893 5.228 1.00 0.08 N ATOM 46 C5 DC A 2 6.250 -14.952 3.279 1.00 0.08 C ATOM 47 C6 DC A 2 6.016 -15.721 2.238 1.00 0.08 C ATOM 0 H5' DC A 2 7.100 -20.272 0.149 1.00 0.16 H new ATOM 0 H5'' DC A 2 7.381 -19.711 -1.487 1.00 0.16 H new ATOM 0 H4' DC A 2 5.085 -19.336 -0.817 1.00 0.14 H new ATOM 0 H3' DC A 2 6.856 -17.183 -1.704 1.00 0.14 H new ATOM 0 H2' DC A 2 6.078 -15.629 -0.108 1.00 0.11 H new ATOM 0 H2'' DC A 2 4.538 -15.720 -0.939 1.00 0.11 H new ATOM 0 H1' DC A 2 3.623 -17.263 0.670 1.00 0.11 H new ATOM 0 H41 DC A 2 6.283 -13.502 5.417 1.00 0.08 H new ATOM 0 H42 DC A 2 4.582 -13.691 5.856 1.00 0.08 H new ATOM 0 H5 DC A 2 7.235 -14.548 3.458 1.00 0.08 H new ATOM 0 H6 DC A 2 6.827 -15.951 1.563 1.00 0.08 H new ATOM 59 P DA A 3 3.589 -17.894 -2.816 1.00 0.23 P ATOM 60 OP1 DA A 3 3.320 -19.085 -1.978 1.00 0.34 O ATOM 61 OP2 DA A 3 3.361 -17.972 -4.278 1.00 0.36 O ATOM 62 O5' DA A 3 2.699 -16.669 -2.243 1.00 0.12 O ATOM 63 C5' DA A 3 1.285 -16.853 -2.040 1.00 0.11 C ATOM 64 C4' DA A 3 0.570 -15.676 -1.410 1.00 0.10 C ATOM 65 O4' DA A 3 1.101 -15.343 -0.106 1.00 0.11 O ATOM 66 C3' DA A 3 0.546 -14.394 -2.247 1.00 0.09 C ATOM 67 O3' DA A 3 -0.797 -14.049 -2.641 1.00 0.13 O ATOM 68 C2' DA A 3 1.069 -13.410 -1.255 1.00 0.10 C ATOM 69 C1' DA A 3 0.792 -13.963 0.111 1.00 0.12 C ATOM 70 N9 DA A 3 1.671 -13.354 1.132 1.00 0.09 N ATOM 71 C8 DA A 3 2.996 -13.069 1.043 1.00 0.10 C ATOM 72 N7 DA A 3 3.523 -12.542 2.163 1.00 0.09 N ATOM 73 C5 DA A 3 2.462 -12.491 3.003 1.00 0.08 C ATOM 74 C6 DA A 3 2.337 -12.047 4.321 1.00 0.10 C ATOM 75 N6 DA A 3 3.354 -11.568 5.034 1.00 0.11 N ATOM 76 N1 DA A 3 1.128 -12.130 4.879 1.00 0.12 N ATOM 77 C2 DA A 3 0.103 -12.619 4.194 1.00 0.12 C ATOM 78 N3 DA A 3 0.093 -13.071 2.951 1.00 0.11 N ATOM 79 C4 DA A 3 1.325 -12.977 2.404 1.00 0.08 C ATOM 0 H5' DA A 3 1.135 -17.730 -1.410 1.00 0.11 H new ATOM 0 H5'' DA A 3 0.820 -17.069 -3.002 1.00 0.11 H new ATOM 0 H4' DA A 3 -0.456 -16.037 -1.334 1.00 0.10 H new ATOM 0 H3' DA A 3 1.108 -14.455 -3.179 1.00 0.09 H new ATOM 0 H2' DA A 3 2.138 -13.253 -1.396 1.00 0.10 H new ATOM 0 H2'' DA A 3 0.585 -12.442 -1.383 1.00 0.10 H new ATOM 0 H1' DA A 3 -0.214 -13.777 0.487 1.00 0.12 H new ATOM 0 H8 DA A 3 3.576 -13.250 0.150 1.00 0.10 H new ATOM 0 H61 DA A 3 3.203 -11.258 5.994 1.00 0.11 H new ATOM 0 H62 DA A 3 4.285 -11.511 4.620 1.00 0.11 H new ATOM 0 H2 DA A 3 -0.842 -12.652 4.716 1.00 0.12 H new ATOM 91 P DT A 4 -1.235 -12.627 -3.294 1.00 0.14 P ATOM 92 OP1 DT A 4 -0.866 -12.654 -4.728 1.00 0.19 O ATOM 93 OP2 DT A 4 -0.745 -11.525 -2.433 1.00 0.18 O ATOM 94 O5' DT A 4 -2.845 -12.653 -3.207 1.00 0.18 O ATOM 95 C5' DT A 4 -3.628 -13.031 -2.058 1.00 0.17 C ATOM 96 C4' DT A 4 -3.754 -12.003 -0.928 1.00 0.16 C ATOM 97 O4' DT A 4 -2.609 -11.851 -0.061 1.00 0.15 O ATOM 98 C3' DT A 4 -4.168 -10.605 -1.405 1.00 0.15 C ATOM 99 O3' DT A 4 -5.438 -10.222 -0.845 1.00 0.17 O ATOM 100 C2' DT A 4 -2.999 -9.784 -0.866 1.00 0.15 C ATOM 101 C1' DT A 4 -2.601 -10.495 0.415 1.00 0.14 C ATOM 102 N1 DT A 4 -1.256 -10.170 0.951 1.00 0.12 N ATOM 103 C2 DT A 4 -1.113 -9.832 2.294 1.00 0.13 C ATOM 104 O2 DT A 4 -2.049 -9.758 3.082 1.00 0.15 O ATOM 105 N3 DT A 4 0.172 -9.571 2.719 1.00 0.13 N ATOM 106 C4 DT A 4 1.308 -9.616 1.940 1.00 0.12 C ATOM 107 O4 DT A 4 2.396 -9.371 2.448 1.00 0.13 O ATOM 108 C5 DT A 4 1.059 -9.973 0.560 1.00 0.12 C ATOM 109 C7 DT A 4 2.177 -10.085 -0.469 1.00 0.11 C ATOM 110 C6 DT A 4 -0.175 -10.226 0.131 1.00 0.10 C ATOM 0 H5' DT A 4 -3.198 -13.941 -1.640 1.00 0.17 H new ATOM 0 H5'' DT A 4 -4.632 -13.281 -2.401 1.00 0.17 H new ATOM 0 H4' DT A 4 -4.550 -12.458 -0.339 1.00 0.16 H new ATOM 0 H3' DT A 4 -4.324 -10.495 -2.478 1.00 0.15 H new ATOM 0 H2' DT A 4 -2.173 -9.753 -1.577 1.00 0.15 H new ATOM 0 H2'' DT A 4 -3.293 -8.752 -0.674 1.00 0.15 H new ATOM 0 H1' DT A 4 -3.254 -10.233 1.247 1.00 0.14 H new ATOM 0 H3 DT A 4 0.293 -9.322 3.701 1.00 0.13 H new ATOM 0 H71 DT A 4 1.907 -10.827 -1.221 1.00 0.11 H new ATOM 0 H72 DT A 4 2.327 -9.119 -0.950 1.00 0.11 H new ATOM 0 H73 DT A 4 3.099 -10.390 0.027 1.00 0.11 H new ATOM 0 H6 DT A 4 -0.322 -10.485 -0.907 1.00 0.10 H new ATOM 123 P DC A 5 -6.132 -8.767 -1.030 1.00 0.17 P ATOM 124 OP1 DC A 5 -7.597 -8.966 -1.136 1.00 0.26 O ATOM 125 OP2 DC A 5 -5.411 -8.035 -2.097 1.00 0.21 O ATOM 126 O5' DC A 5 -5.811 -8.040 0.378 1.00 0.23 O ATOM 127 C5' DC A 5 -6.356 -8.528 1.616 1.00 0.24 C ATOM 128 C4' DC A 5 -5.962 -7.675 2.828 1.00 0.18 C ATOM 129 O4' DC A 5 -4.535 -7.670 3.036 1.00 0.18 O ATOM 130 C3' DC A 5 -6.421 -6.217 2.724 1.00 0.14 C ATOM 131 O3' DC A 5 -6.869 -5.727 3.996 1.00 0.10 O ATOM 132 C2' DC A 5 -5.144 -5.571 2.222 1.00 0.14 C ATOM 133 C1' DC A 5 -4.049 -6.320 2.984 1.00 0.11 C ATOM 134 N1 DC A 5 -2.686 -6.360 2.381 1.00 0.11 N ATOM 135 C2 DC A 5 -1.588 -6.121 3.200 1.00 0.12 C ATOM 136 O2 DC A 5 -1.707 -5.838 4.389 1.00 0.14 O ATOM 137 N3 DC A 5 -0.344 -6.191 2.659 1.00 0.14 N ATOM 138 C4 DC A 5 -0.167 -6.478 1.367 1.00 0.14 C ATOM 139 N4 DC A 5 1.072 -6.534 0.886 1.00 0.16 N ATOM 140 C5 DC A 5 -1.284 -6.723 0.510 1.00 0.16 C ATOM 141 C6 DC A 5 -2.510 -6.651 1.060 1.00 0.13 C ATOM 0 H5' DC A 5 -6.018 -9.552 1.775 1.00 0.24 H new ATOM 0 H5'' DC A 5 -7.443 -8.559 1.540 1.00 0.24 H new ATOM 0 H4' DC A 5 -6.472 -8.145 3.669 1.00 0.18 H new ATOM 0 H3' DC A 5 -7.279 -6.026 2.079 1.00 0.14 H new ATOM 0 H2' DC A 5 -5.033 -5.684 1.144 1.00 0.14 H new ATOM 0 H2'' DC A 5 -5.123 -4.502 2.435 1.00 0.14 H new ATOM 0 H1' DC A 5 -3.896 -5.799 3.929 1.00 0.11 H new ATOM 0 H41 DC A 5 1.228 -6.752 -0.098 1.00 0.16 H new ATOM 0 H42 DC A 5 1.866 -6.359 1.501 1.00 0.16 H new ATOM 0 H5 DC A 5 -1.150 -6.956 -0.536 1.00 0.16 H new ATOM 0 H6 DC A 5 -3.376 -6.828 0.440 1.00 0.13 H new ATOM 153 P DG A 6 -7.768 -4.391 4.130 1.00 0.10 P ATOM 154 OP1 DG A 6 -8.532 -4.483 5.397 1.00 0.14 O ATOM 155 OP2 DG A 6 -8.493 -4.181 2.855 1.00 0.19 O ATOM 156 O5' DG A 6 -6.661 -3.225 4.272 1.00 0.10 O ATOM 157 C5' DG A 6 -6.029 -2.958 5.532 1.00 0.11 C ATOM 158 C4' DG A 6 -4.688 -2.252 5.385 1.00 0.12 C ATOM 159 O4' DG A 6 -3.721 -3.039 4.658 1.00 0.11 O ATOM 160 C3' DG A 6 -4.770 -0.902 4.648 1.00 0.12 C ATOM 161 O3' DG A 6 -4.760 0.210 5.542 1.00 0.10 O ATOM 162 C2' DG A 6 -3.466 -0.917 3.874 1.00 0.15 C ATOM 163 C1' DG A 6 -2.679 -2.085 4.442 1.00 0.12 C ATOM 164 N9 DG A 6 -1.626 -2.521 3.514 1.00 0.12 N ATOM 165 C8 DG A 6 -1.723 -3.033 2.255 1.00 0.13 C ATOM 166 N7 DG A 6 -0.522 -3.283 1.689 1.00 0.14 N ATOM 167 C5 DG A 6 0.364 -2.908 2.650 1.00 0.12 C ATOM 168 C6 DG A 6 1.779 -2.934 2.640 1.00 0.13 C ATOM 169 O6 DG A 6 2.542 -3.292 1.747 1.00 0.15 O ATOM 170 N1 DG A 6 2.315 -2.465 3.821 1.00 0.12 N ATOM 171 C2 DG A 6 1.596 -2.017 4.903 1.00 0.12 C ATOM 172 N2 DG A 6 2.314 -1.585 5.948 1.00 0.12 N ATOM 173 N3 DG A 6 0.261 -1.988 4.919 1.00 0.12 N ATOM 174 C4 DG A 6 -0.284 -2.444 3.767 1.00 0.12 C ATOM 0 H5' DG A 6 -5.883 -3.897 6.066 1.00 0.11 H new ATOM 0 H5'' DG A 6 -6.692 -2.345 6.142 1.00 0.11 H new ATOM 0 H4' DG A 6 -4.380 -2.097 6.419 1.00 0.12 H new ATOM 0 H3' DG A 6 -5.681 -0.796 4.059 1.00 0.12 H new ATOM 0 H2' DG A 6 -3.643 -1.044 2.806 1.00 0.15 H new ATOM 0 H2'' DG A 6 -2.924 0.020 3.998 1.00 0.15 H new ATOM 0 H1' DG A 6 -2.114 -1.877 5.351 1.00 0.12 H new ATOM 0 H8 DG A 6 -2.664 -3.220 1.760 1.00 0.13 H new ATOM 0 H1 DG A 6 3.332 -2.449 3.898 1.00 0.12 H new ATOM 0 H22 DG A 6 3.333 -1.602 5.908 1.00 0.12 H new ATOM 185 P DC A 7 -6.025 1.171 5.832 1.00 0.19 P ATOM 186 OP1 DC A 7 -7.203 0.344 6.187 1.00 0.30 O ATOM 187 OP2 DC A 7 -6.113 2.170 4.741 1.00 0.29 O ATOM 188 O5' DC A 7 -5.463 1.910 7.158 1.00 0.16 O ATOM 189 C5' DC A 7 -5.183 1.161 8.355 1.00 0.17 C ATOM 190 C4' DC A 7 -3.888 1.582 9.060 1.00 0.13 C ATOM 191 O4' DC A 7 -2.713 1.385 8.245 1.00 0.10 O ATOM 192 C3' DC A 7 -3.971 3.019 9.526 1.00 0.10 C ATOM 193 O3' DC A 7 -4.253 3.037 10.934 1.00 0.12 O ATOM 194 C2' DC A 7 -2.556 3.463 9.296 1.00 0.09 C ATOM 195 C1' DC A 7 -1.974 2.612 8.193 1.00 0.10 C ATOM 196 N1 DC A 7 -1.755 3.088 6.803 1.00 0.08 N ATOM 197 C2 DC A 7 -0.559 3.734 6.496 1.00 0.08 C ATOM 198 O2 DC A 7 0.293 3.977 7.346 1.00 0.12 O ATOM 199 N3 DC A 7 -0.333 4.111 5.215 1.00 0.09 N ATOM 200 C4 DC A 7 -1.234 3.876 4.262 1.00 0.10 C ATOM 201 N4 DC A 7 -0.943 4.256 3.021 1.00 0.12 N ATOM 202 C5 DC A 7 -2.474 3.221 4.555 1.00 0.11 C ATOM 203 C6 DC A 7 -2.684 2.849 5.836 1.00 0.10 C ATOM 0 H5' DC A 7 -5.121 0.102 8.104 1.00 0.17 H new ATOM 0 H5'' DC A 7 -6.017 1.276 9.048 1.00 0.17 H new ATOM 0 H4' DC A 7 -3.785 0.930 9.927 1.00 0.13 H new ATOM 0 H3' DC A 7 -4.730 3.627 9.034 1.00 0.10 H new ATOM 0 H2' DC A 7 -2.527 4.517 9.020 1.00 0.09 H new ATOM 0 H2'' DC A 7 -1.970 3.357 10.209 1.00 0.09 H new ATOM 0 H1' DC A 7 -0.911 2.572 8.431 1.00 0.10 H new ATOM 0 H41 DC A 7 -1.610 4.091 2.267 1.00 0.12 H new ATOM 0 H42 DC A 7 -0.052 4.712 2.823 1.00 0.12 H new ATOM 0 H5 DC A 7 -3.208 3.033 3.786 1.00 0.11 H new ATOM 0 H6 DC A 7 -3.606 2.352 6.099 1.00 0.10 H new ATOM 215 P DT A 8 -4.731 4.360 11.727 1.00 0.13 P ATOM 216 OP1 DT A 8 -4.899 3.998 13.153 1.00 0.19 O ATOM 217 OP2 DT A 8 -5.864 4.954 10.981 1.00 0.20 O ATOM 218 O5' DT A 8 -3.465 5.352 11.594 1.00 0.18 O ATOM 219 C5' DT A 8 -2.268 5.296 12.396 1.00 0.18 C ATOM 220 C4' DT A 8 -1.275 6.359 11.917 1.00 0.20 C ATOM 221 O4' DT A 8 -0.880 6.083 10.563 1.00 0.16 O ATOM 222 C3' DT A 8 -1.929 7.735 11.968 1.00 0.19 C ATOM 223 O3' DT A 8 -1.296 8.560 12.971 1.00 0.22 O ATOM 224 C2' DT A 8 -1.784 8.179 10.547 1.00 0.16 C ATOM 225 C1' DT A 8 -0.669 7.340 9.925 1.00 0.15 C ATOM 226 N1 DT A 8 -0.945 7.165 8.487 1.00 0.12 N ATOM 227 C2 DT A 8 -0.044 7.489 7.508 1.00 0.12 C ATOM 228 O2 DT A 8 1.084 7.915 7.724 1.00 0.16 O ATOM 229 N3 DT A 8 -0.488 7.283 6.225 1.00 0.13 N ATOM 230 C4 DT A 8 -1.715 6.790 5.834 1.00 0.14 C ATOM 231 O4 DT A 8 -1.954 6.669 4.637 1.00 0.17 O ATOM 232 C5 DT A 8 -2.579 6.475 6.951 1.00 0.12 C ATOM 233 C7 DT A 8 -3.989 5.897 6.837 1.00 0.13 C ATOM 234 C6 DT A 8 -2.150 6.679 8.182 1.00 0.12 C ATOM 0 H5' DT A 8 -1.818 4.306 12.326 1.00 0.18 H new ATOM 0 H5'' DT A 8 -2.514 5.461 13.445 1.00 0.18 H new ATOM 0 H4' DT A 8 -0.400 6.341 12.567 1.00 0.20 H new ATOM 0 H3' DT A 8 -2.972 7.773 12.281 1.00 0.19 H new ATOM 0 H2' DT A 8 -2.719 8.041 10.003 1.00 0.16 H new ATOM 0 H2'' DT A 8 -1.540 9.240 10.498 1.00 0.16 H new ATOM 0 H1' DT A 8 0.329 7.763 10.038 1.00 0.15 H new ATOM 0 H3 DT A 8 0.163 7.522 5.477 1.00 0.13 H new ATOM 0 H71 DT A 8 -4.203 5.284 7.712 1.00 0.13 H new ATOM 0 H72 DT A 8 -4.712 6.711 6.778 1.00 0.13 H new ATOM 0 H73 DT A 8 -4.059 5.284 5.939 1.00 0.13 H new ATOM 0 H6 DT A 8 -2.817 6.437 8.996 1.00 0.12 H new ATOM 247 P DA A 9 -0.944 10.142 12.880 1.00 0.24 P ATOM 248 OP1 DA A 9 -0.645 10.623 14.248 1.00 0.32 O ATOM 249 OP2 DA A 9 -2.001 10.812 12.087 1.00 0.29 O ATOM 250 O5' DA A 9 0.424 10.185 12.015 1.00 0.19 O ATOM 251 C5' DA A 9 1.634 9.559 12.480 1.00 0.17 C ATOM 252 C4' DA A 9 2.876 9.938 11.667 1.00 0.13 C ATOM 253 O4' DA A 9 2.759 9.607 10.276 1.00 0.15 O ATOM 254 C3' DA A 9 3.191 11.397 11.788 1.00 0.14 C ATOM 255 O3' DA A 9 4.602 11.628 11.893 1.00 0.16 O ATOM 256 C2' DA A 9 2.541 11.872 10.571 1.00 0.12 C ATOM 257 C1' DA A 9 2.749 10.829 9.533 1.00 0.12 C ATOM 258 N9 DA A 9 1.627 10.766 8.589 1.00 0.10 N ATOM 259 C8 DA A 9 0.320 10.727 8.906 1.00 0.12 C ATOM 260 N7 DA A 9 -0.507 10.623 7.847 1.00 0.13 N ATOM 261 C5 DA A 9 0.358 10.599 6.799 1.00 0.12 C ATOM 262 C6 DA A 9 0.153 10.504 5.419 1.00 0.12 C ATOM 263 N6 DA A 9 -1.059 10.399 4.883 1.00 0.15 N ATOM 264 N1 DA A 9 1.239 10.510 4.631 1.00 0.12 N ATOM 265 C2 DA A 9 2.447 10.602 5.181 1.00 0.13 C ATOM 266 N3 DA A 9 2.768 10.693 6.457 1.00 0.11 N ATOM 267 C4 DA A 9 1.660 10.686 7.224 1.00 0.10 C ATOM 0 H5' DA A 9 1.507 8.477 12.450 1.00 0.17 H new ATOM 0 H5'' DA A 9 1.796 9.832 13.523 1.00 0.17 H new ATOM 0 H4' DA A 9 3.687 9.348 12.093 1.00 0.13 H new ATOM 0 H3' DA A 9 2.842 11.915 12.682 1.00 0.14 H new ATOM 0 H2' DA A 9 1.478 12.040 10.742 1.00 0.12 H new ATOM 0 H2'' DA A 9 2.967 12.824 10.252 1.00 0.12 H new ATOM 0 H1' DA A 9 3.652 11.026 8.955 1.00 0.12 H new ATOM 0 H8 DA A 9 -0.037 10.775 9.924 1.00 0.12 H new ATOM 0 H61 DA A 9 -1.165 10.332 3.871 1.00 0.15 H new ATOM 0 H62 DA A 9 -1.883 10.385 5.484 1.00 0.15 H new ATOM 0 H2 DA A 9 3.276 10.602 4.489 1.00 0.13 H new ATOM 279 P DC A 10 5.246 13.103 11.991 1.00 0.19 P ATOM 280 OP1 DC A 10 6.641 12.970 12.467 1.00 0.27 O ATOM 281 OP2 DC A 10 4.303 13.986 12.715 1.00 0.25 O ATOM 282 O5' DC A 10 5.264 13.538 10.439 1.00 0.19 O ATOM 283 C5' DC A 10 6.234 13.013 9.517 1.00 0.21 C ATOM 284 C4' DC A 10 6.009 13.521 8.098 1.00 0.18 C ATOM 285 O4' DC A 10 4.775 13.045 7.594 1.00 0.16 O ATOM 286 C3' DC A 10 5.978 15.050 8.057 1.00 0.16 C ATOM 287 O3' DC A 10 7.141 15.650 7.453 1.00 0.18 O ATOM 288 C2' DC A 10 4.744 15.301 7.276 1.00 0.15 C ATOM 289 C1' DC A 10 4.368 14.021 6.636 1.00 0.14 C ATOM 290 N1 DC A 10 2.919 13.907 6.584 1.00 0.12 N ATOM 291 C2 DC A 10 2.241 13.753 5.404 1.00 0.13 C ATOM 292 O2 DC A 10 2.812 13.753 4.319 1.00 0.17 O ATOM 293 N3 DC A 10 0.897 13.618 5.470 1.00 0.13 N ATOM 294 C4 DC A 10 0.256 13.635 6.642 1.00 0.14 C ATOM 295 N4 DC A 10 -1.059 13.486 6.590 1.00 0.16 N ATOM 296 C5 DC A 10 0.977 13.801 7.876 1.00 0.13 C ATOM 297 C6 DC A 10 2.296 13.932 7.769 1.00 0.13 C ATOM 0 H5' DC A 10 6.187 11.924 9.523 1.00 0.21 H new ATOM 0 H5'' DC A 10 7.235 13.291 9.847 1.00 0.21 H new ATOM 0 H4' DC A 10 6.836 13.155 7.489 1.00 0.18 H new ATOM 0 H3' DC A 10 5.984 15.497 9.051 1.00 0.16 H new ATOM 0 H2' DC A 10 3.943 15.658 7.924 1.00 0.15 H new ATOM 0 H2'' DC A 10 4.913 16.072 6.525 1.00 0.15 H new ATOM 0 H1' DC A 10 4.795 13.925 5.638 1.00 0.14 H new ATOM 0 H41 DC A 10 -1.607 13.490 7.450 1.00 0.16 H new ATOM 0 H42 DC A 10 -1.524 13.367 5.690 1.00 0.16 H new ATOM 0 H5 DC A 10 0.476 13.818 8.833 1.00 0.13 H new ATOM 0 H6 DC A 10 2.883 14.063 8.666 1.00 0.13 H new ATOM 309 P DC A 11 7.701 15.346 5.951 1.00 0.17 P ATOM 310 OP1 DC A 11 7.738 13.880 5.740 1.00 0.23 O ATOM 311 OP2 DC A 11 8.937 16.144 5.774 1.00 0.22 O ATOM 312 O5' DC A 11 6.569 15.962 4.971 1.00 0.19 O ATOM 313 C5' DC A 11 6.773 16.088 3.551 1.00 0.15 C ATOM 314 C4' DC A 11 5.649 16.880 2.875 1.00 0.13 C ATOM 315 O4' DC A 11 4.357 16.281 3.039 1.00 0.13 O ATOM 316 C3' DC A 11 5.504 18.252 3.501 1.00 0.17 C ATOM 317 O3' DC A 11 6.449 19.239 3.084 1.00 0.26 O ATOM 318 C2' DC A 11 4.059 18.600 3.202 1.00 0.18 C ATOM 319 C1' DC A 11 3.396 17.310 2.743 1.00 0.14 C ATOM 320 N1 DC A 11 2.188 17.084 3.551 1.00 0.14 N ATOM 321 C2 DC A 11 0.925 17.009 2.987 1.00 0.17 C ATOM 322 O2 DC A 11 0.728 17.117 1.779 1.00 0.19 O ATOM 323 N3 DC A 11 -0.123 16.805 3.827 1.00 0.18 N ATOM 324 C4 DC A 11 0.056 16.677 5.148 1.00 0.18 C ATOM 325 N4 DC A 11 -1.013 16.492 5.912 1.00 0.22 N ATOM 326 C5 DC A 11 1.363 16.751 5.720 1.00 0.16 C ATOM 327 C6 DC A 11 2.372 16.956 4.878 1.00 0.14 C ATOM 0 H5' DC A 11 6.836 15.095 3.105 1.00 0.15 H new ATOM 0 H5'' DC A 11 7.727 16.582 3.365 1.00 0.15 H new ATOM 0 H4' DC A 11 5.935 16.912 1.824 1.00 0.13 H new ATOM 0 H3' DC A 11 5.735 18.235 4.566 1.00 0.17 H new ATOM 0 H2' DC A 11 3.564 18.998 4.088 1.00 0.18 H new ATOM 0 H2'' DC A 11 3.995 19.366 2.429 1.00 0.18 H new ATOM 0 HO3' DC A 11 6.265 20.084 3.545 1.00 0.26 H new ATOM 0 H1' DC A 11 3.115 17.331 1.690 1.00 0.14 H new ATOM 0 H41 DC A 11 -0.907 16.391 6.921 1.00 0.22 H new ATOM 0 H42 DC A 11 -1.941 16.451 5.490 1.00 0.22 H new ATOM 0 H5 DC A 11 1.524 16.646 6.783 1.00 0.16 H new ATOM 0 H6 DC A 11 3.375 17.022 5.273 1.00 0.14 H new TER 340 DC A 11 ATOM 341 O5' DG B 12 -9.864 13.355 -0.245 1.00 0.44 O ATOM 342 C5' DG B 12 -9.534 13.702 -1.591 1.00 0.40 C ATOM 343 C4' DG B 12 -8.032 13.852 -1.774 1.00 0.31 C ATOM 344 O4' DG B 12 -7.521 14.869 -0.874 1.00 0.29 O ATOM 345 C3' DG B 12 -7.301 12.520 -1.465 1.00 0.28 C ATOM 346 O3' DG B 12 -6.323 12.001 -2.390 1.00 0.25 O ATOM 347 C2' DG B 12 -6.656 12.916 -0.169 1.00 0.27 C ATOM 348 C1' DG B 12 -6.292 14.364 -0.355 1.00 0.25 C ATOM 349 N9 DG B 12 -5.863 14.874 0.952 1.00 0.23 N ATOM 350 C8 DG B 12 -6.564 14.911 2.103 1.00 0.25 C ATOM 351 N7 DG B 12 -5.867 15.399 3.152 1.00 0.24 N ATOM 352 C5 DG B 12 -4.653 15.681 2.605 1.00 0.19 C ATOM 353 C6 DG B 12 -3.482 16.221 3.205 1.00 0.17 C ATOM 354 O6 DG B 12 -3.283 16.554 4.370 1.00 0.18 O ATOM 355 N1 DG B 12 -2.455 16.352 2.298 1.00 0.15 N ATOM 356 C2 DG B 12 -2.531 16.011 0.972 1.00 0.15 C ATOM 357 N2 DG B 12 -1.460 16.184 0.225 1.00 0.16 N ATOM 358 N3 DG B 12 -3.614 15.509 0.395 1.00 0.16 N ATOM 359 C4 DG B 12 -4.632 15.370 1.268 1.00 0.19 C ATOM 0 H5' DG B 12 -10.030 14.635 -1.860 1.00 0.40 H new ATOM 0 H5'' DG B 12 -9.910 12.935 -2.268 1.00 0.40 H new ATOM 0 H4' DG B 12 -7.851 14.135 -2.811 1.00 0.31 H new ATOM 0 H3' DG B 12 -7.999 11.683 -1.490 1.00 0.28 H new ATOM 0 H2' DG B 12 -7.338 12.783 0.671 1.00 0.27 H new ATOM 0 H2'' DG B 12 -5.775 12.309 0.037 1.00 0.27 H new ATOM 0 HO5' DG B 12 -10.836 13.267 -0.159 1.00 0.44 H new ATOM 0 H1' DG B 12 -5.467 14.629 -1.017 1.00 0.25 H new ATOM 0 H8 DG B 12 -7.589 14.581 2.179 1.00 0.25 H new ATOM 0 H1 DG B 12 -1.571 16.731 2.638 1.00 0.15 H new ATOM 0 H21 DG B 12 -1.484 15.940 -0.765 1.00 0.16 H new ATOM 0 H22 DG B 12 -0.607 16.562 0.637 1.00 0.16 H new ATOM 372 P DG B 13 -5.667 12.723 -3.679 1.00 0.23 P ATOM 373 OP1 DG B 13 -6.755 13.356 -4.460 1.00 0.30 O ATOM 374 OP2 DG B 13 -4.757 11.752 -4.328 1.00 0.27 O ATOM 375 O5' DG B 13 -4.763 13.885 -3.019 1.00 0.23 O ATOM 376 C5' DG B 13 -3.994 14.817 -3.802 1.00 0.24 C ATOM 377 C4' DG B 13 -2.483 14.526 -3.784 1.00 0.19 C ATOM 378 O4' DG B 13 -1.920 14.664 -2.473 1.00 0.21 O ATOM 379 C3' DG B 13 -2.022 13.202 -4.369 1.00 0.18 C ATOM 380 O3' DG B 13 -0.881 13.395 -5.228 1.00 0.19 O ATOM 381 C2' DG B 13 -1.803 12.436 -3.137 1.00 0.19 C ATOM 382 C1' DG B 13 -1.287 13.424 -2.143 1.00 0.16 C ATOM 383 N9 DG B 13 -1.657 13.133 -0.754 1.00 0.16 N ATOM 384 C8 DG B 13 -2.837 12.663 -0.287 1.00 0.18 C ATOM 385 N7 DG B 13 -2.890 12.567 1.060 1.00 0.19 N ATOM 386 C5 DG B 13 -1.661 13.000 1.445 1.00 0.15 C ATOM 387 C6 DG B 13 -1.107 13.129 2.745 1.00 0.14 C ATOM 388 O6 DG B 13 -1.615 12.903 3.839 1.00 0.16 O ATOM 389 N1 DG B 13 0.182 13.601 2.704 1.00 0.15 N ATOM 390 C2 DG B 13 0.874 13.921 1.563 1.00 0.16 C ATOM 391 N2 DG B 13 2.113 14.349 1.705 1.00 0.19 N ATOM 392 N3 DG B 13 0.372 13.813 0.341 1.00 0.17 N ATOM 393 C4 DG B 13 -0.894 13.347 0.357 1.00 0.14 C ATOM 0 H5' DG B 13 -4.167 15.826 -3.427 1.00 0.24 H new ATOM 0 H5'' DG B 13 -4.349 14.795 -4.832 1.00 0.24 H new ATOM 0 H4' DG B 13 -2.109 15.293 -4.462 1.00 0.19 H new ATOM 0 H3' DG B 13 -2.705 12.684 -5.043 1.00 0.18 H new ATOM 0 H2' DG B 13 -2.729 11.976 -2.790 1.00 0.19 H new ATOM 0 H2'' DG B 13 -1.087 11.630 -3.298 1.00 0.19 H new ATOM 0 H1' DG B 13 -0.198 13.417 -2.196 1.00 0.16 H new ATOM 0 H8 DG B 13 -3.660 12.390 -0.931 1.00 0.18 H new ATOM 0 H1 DG B 13 0.664 13.724 3.594 1.00 0.15 H new ATOM 0 H21 DG B 13 2.664 14.598 0.883 1.00 0.19 H new ATOM 0 H22 DG B 13 2.521 14.431 2.636 1.00 0.19 H new ATOM 405 P DT B 14 0.066 12.224 -5.819 1.00 0.13 P ATOM 406 OP1 DT B 14 0.742 12.745 -7.032 1.00 0.21 O ATOM 407 OP2 DT B 14 -0.725 10.974 -5.900 1.00 0.20 O ATOM 408 O5' DT B 14 1.165 12.041 -4.658 1.00 0.17 O ATOM 409 C5' DT B 14 2.209 12.997 -4.396 1.00 0.15 C ATOM 410 C4' DT B 14 3.051 12.552 -3.200 1.00 0.11 C ATOM 411 O4' DT B 14 2.272 12.496 -1.987 1.00 0.15 O ATOM 412 C3' DT B 14 3.712 11.197 -3.431 1.00 0.09 C ATOM 413 O3' DT B 14 5.125 11.254 -3.142 1.00 0.12 O ATOM 414 C2' DT B 14 2.815 10.386 -2.571 1.00 0.09 C ATOM 415 C1' DT B 14 2.601 11.261 -1.357 1.00 0.11 C ATOM 416 N1 DT B 14 1.563 10.849 -0.408 1.00 0.12 N ATOM 417 C2 DT B 14 1.792 10.898 0.953 1.00 0.12 C ATOM 418 O2 DT B 14 2.843 11.266 1.464 1.00 0.15 O ATOM 419 N3 DT B 14 0.741 10.500 1.742 1.00 0.13 N ATOM 420 C4 DT B 14 -0.490 10.068 1.303 1.00 0.14 C ATOM 421 O4 DT B 14 -1.341 9.752 2.125 1.00 0.16 O ATOM 422 C5 DT B 14 -0.615 10.057 -0.138 1.00 0.14 C ATOM 423 C7 DT B 14 -1.865 9.627 -0.881 1.00 0.17 C ATOM 424 C6 DT B 14 0.392 10.437 -0.900 1.00 0.13 C ATOM 0 H5' DT B 14 1.773 13.976 -4.198 1.00 0.15 H new ATOM 0 H5'' DT B 14 2.843 13.103 -5.276 1.00 0.15 H new ATOM 0 H4' DT B 14 3.830 13.306 -3.090 1.00 0.11 H new ATOM 0 H3' DT B 14 3.776 10.785 -4.438 1.00 0.09 H new ATOM 0 H2' DT B 14 1.874 10.160 -3.073 1.00 0.09 H new ATOM 0 H2'' DT B 14 3.270 9.433 -2.303 1.00 0.09 H new ATOM 0 H1' DT B 14 3.473 11.254 -0.703 1.00 0.11 H new ATOM 0 H3 DT B 14 0.887 10.527 2.751 1.00 0.13 H new ATOM 0 H71 DT B 14 -1.933 10.170 -1.823 1.00 0.17 H new ATOM 0 H72 DT B 14 -1.819 8.557 -1.082 1.00 0.17 H new ATOM 0 H73 DT B 14 -2.743 9.844 -0.273 1.00 0.17 H new ATOM 0 H6 DT B 14 0.264 10.414 -1.972 1.00 0.13 H new ATOM 437 P DA B 15 5.963 10.461 -2.007 1.00 0.10 P ATOM 438 OP1 DA B 15 7.381 10.441 -2.428 1.00 0.14 O ATOM 439 OP2 DA B 15 5.270 9.183 -1.724 1.00 0.17 O ATOM 440 O5' DA B 15 5.827 11.415 -0.711 1.00 0.13 O ATOM 441 C5' DA B 15 6.852 11.663 0.276 1.00 0.12 C ATOM 442 C4' DA B 15 7.113 10.494 1.250 1.00 0.10 C ATOM 443 O4' DA B 15 5.871 10.074 1.842 1.00 0.10 O ATOM 444 C3' DA B 15 7.781 9.247 0.655 1.00 0.08 C ATOM 445 O3' DA B 15 8.869 8.799 1.475 1.00 0.12 O ATOM 446 C2' DA B 15 6.656 8.278 0.639 1.00 0.10 C ATOM 447 C1' DA B 15 5.808 8.648 1.816 1.00 0.10 C ATOM 448 N9 DA B 15 4.404 8.260 1.631 1.00 0.10 N ATOM 449 C8 DA B 15 3.700 8.117 0.481 1.00 0.11 C ATOM 450 N7 DA B 15 2.406 7.777 0.671 1.00 0.10 N ATOM 451 C5 DA B 15 2.311 7.706 2.024 1.00 0.09 C ATOM 452 C6 DA B 15 1.248 7.401 2.882 1.00 0.09 C ATOM 453 N6 DA B 15 0.018 7.103 2.471 1.00 0.12 N ATOM 454 N1 DA B 15 1.508 7.421 4.193 1.00 0.10 N ATOM 455 C2 DA B 15 2.720 7.715 4.644 1.00 0.11 C ATOM 456 N3 DA B 15 3.790 8.017 3.940 1.00 0.11 N ATOM 457 C4 DA B 15 3.512 7.993 2.622 1.00 0.09 C ATOM 0 H5' DA B 15 6.573 12.544 0.855 1.00 0.12 H new ATOM 0 H5'' DA B 15 7.782 11.902 -0.240 1.00 0.12 H new ATOM 0 H4' DA B 15 7.821 10.906 1.970 1.00 0.10 H new ATOM 0 H3' DA B 15 8.230 9.405 -0.326 1.00 0.08 H new ATOM 0 H2' DA B 15 6.091 8.345 -0.291 1.00 0.10 H new ATOM 0 H2'' DA B 15 7.017 7.253 0.720 1.00 0.10 H new ATOM 0 H1' DA B 15 6.158 8.154 2.722 1.00 0.10 H new ATOM 0 H8 DA B 15 4.134 8.262 -0.497 1.00 0.11 H new ATOM 0 H61 DA B 15 -0.710 6.890 3.153 1.00 0.12 H new ATOM 0 H62 DA B 15 -0.197 7.087 1.474 1.00 0.12 H new ATOM 0 H2 DA B 15 2.844 7.705 5.717 1.00 0.11 H new ATOM 469 P DG B 16 9.710 7.452 1.172 1.00 0.11 P ATOM 470 OP1 DG B 16 10.474 7.668 -0.077 1.00 0.16 O ATOM 471 OP2 DG B 16 8.807 6.282 1.281 1.00 0.16 O ATOM 472 O5' DG B 16 10.768 7.418 2.392 1.00 0.12 O ATOM 473 C5' DG B 16 10.483 7.519 3.802 1.00 0.12 C ATOM 474 C4' DG B 16 9.529 6.472 4.370 1.00 0.12 C ATOM 475 O4' DG B 16 8.151 6.672 4.037 1.00 0.13 O ATOM 476 C3' DG B 16 9.897 5.076 3.919 1.00 0.11 C ATOM 477 O3' DG B 16 10.938 4.512 4.738 1.00 0.14 O ATOM 478 C2' DG B 16 8.543 4.405 4.113 1.00 0.11 C ATOM 479 C1' DG B 16 7.529 5.466 4.498 1.00 0.11 C ATOM 480 N9 DG B 16 6.257 5.263 3.807 1.00 0.10 N ATOM 481 C8 DG B 16 6.084 5.214 2.477 1.00 0.10 C ATOM 482 N7 DG B 16 4.807 5.007 2.099 1.00 0.13 N ATOM 483 C5 DG B 16 4.149 4.920 3.287 1.00 0.11 C ATOM 484 C6 DG B 16 2.772 4.703 3.548 1.00 0.12 C ATOM 485 O6 DG B 16 1.840 4.552 2.764 1.00 0.15 O ATOM 486 N1 DG B 16 2.504 4.677 4.894 1.00 0.12 N ATOM 487 C2 DG B 16 3.426 4.839 5.893 1.00 0.12 C ATOM 488 N2 DG B 16 2.986 4.778 7.137 1.00 0.14 N ATOM 489 N3 DG B 16 4.721 5.046 5.673 1.00 0.12 N ATOM 490 C4 DG B 16 5.012 5.074 4.348 1.00 0.10 C ATOM 0 H5' DG B 16 10.065 8.506 3.998 1.00 0.12 H new ATOM 0 H5'' DG B 16 11.425 7.458 4.348 1.00 0.12 H new ATOM 0 H4' DG B 16 9.641 6.588 5.448 1.00 0.12 H new ATOM 0 H3' DG B 16 10.310 4.984 2.914 1.00 0.11 H new ATOM 0 H2' DG B 16 8.235 3.902 3.196 1.00 0.11 H new ATOM 0 H2'' DG B 16 8.606 3.642 4.889 1.00 0.11 H new ATOM 0 H1' DG B 16 7.293 5.463 5.562 1.00 0.11 H new ATOM 0 H8 DG B 16 6.895 5.330 1.773 1.00 0.10 H new ATOM 0 H1 DG B 16 1.535 4.524 5.174 1.00 0.12 H new ATOM 0 H21 DG B 16 3.636 4.893 7.914 1.00 0.14 H new ATOM 0 H22 DG B 16 1.996 4.616 7.320 1.00 0.14 H new ATOM 502 P DC B 17 11.786 3.183 4.348 1.00 0.15 P ATOM 503 OP1 DC B 17 12.964 3.108 5.242 1.00 0.19 O ATOM 504 OP2 DC B 17 11.981 3.169 2.879 1.00 0.17 O ATOM 505 O5' DC B 17 10.785 1.977 4.733 1.00 0.15 O ATOM 506 C5' DC B 17 10.250 1.851 6.061 1.00 0.16 C ATOM 507 C4' DC B 17 9.284 0.677 6.209 1.00 0.14 C ATOM 508 O4' DC B 17 8.245 0.696 5.216 1.00 0.14 O ATOM 509 C3' DC B 17 9.964 -0.681 6.065 1.00 0.15 C ATOM 510 O3' DC B 17 10.484 -1.074 7.352 1.00 0.16 O ATOM 511 C2' DC B 17 8.831 -1.535 5.493 1.00 0.15 C ATOM 512 C1' DC B 17 7.642 -0.604 5.278 1.00 0.14 C ATOM 513 N1 DC B 17 6.871 -0.903 4.041 1.00 0.13 N ATOM 514 C2 DC B 17 5.680 -1.616 4.157 1.00 0.14 C ATOM 515 O2 DC B 17 5.218 -1.972 5.236 1.00 0.18 O ATOM 516 N3 DC B 17 4.986 -1.909 3.036 1.00 0.15 N ATOM 517 C4 DC B 17 5.420 -1.526 1.838 1.00 0.14 C ATOM 518 N4 DC B 17 4.682 -1.855 0.784 1.00 0.16 N ATOM 519 C5 DC B 17 6.636 -0.788 1.685 1.00 0.15 C ATOM 520 C6 DC B 17 7.326 -0.500 2.810 1.00 0.15 C ATOM 0 H5' DC B 17 9.735 2.774 6.328 1.00 0.16 H new ATOM 0 H5'' DC B 17 11.071 1.729 6.767 1.00 0.16 H new ATOM 0 H4' DC B 17 8.879 0.800 7.214 1.00 0.14 H new ATOM 0 H3' DC B 17 10.838 -0.744 5.417 1.00 0.15 H new ATOM 0 H2' DC B 17 9.133 -1.999 4.554 1.00 0.15 H new ATOM 0 H2'' DC B 17 8.571 -2.342 6.178 1.00 0.15 H new ATOM 0 H1' DC B 17 6.903 -0.707 6.073 1.00 0.14 H new ATOM 0 H41 DC B 17 4.979 -1.581 -0.152 1.00 0.16 H new ATOM 0 H42 DC B 17 3.818 -2.382 0.911 1.00 0.16 H new ATOM 0 H5 DC B 17 6.987 -0.475 0.713 1.00 0.15 H new ATOM 0 H6 DC B 17 8.249 0.056 2.740 1.00 0.15 H new ATOM 532 P DG B 18 10.429 -2.546 8.026 1.00 0.15 P ATOM 533 OP1 DG B 18 10.998 -2.453 9.390 1.00 0.20 O ATOM 534 OP2 DG B 18 10.976 -3.530 7.064 1.00 0.19 O ATOM 535 O5' DG B 18 8.838 -2.789 8.157 1.00 0.17 O ATOM 536 C5' DG B 18 7.964 -1.816 8.759 1.00 0.14 C ATOM 537 C4' DG B 18 6.555 -2.322 8.938 1.00 0.10 C ATOM 538 O4' DG B 18 5.888 -2.668 7.718 1.00 0.13 O ATOM 539 C3' DG B 18 6.550 -3.565 9.835 1.00 0.12 C ATOM 540 O3' DG B 18 5.756 -3.376 11.022 1.00 0.16 O ATOM 541 C2' DG B 18 6.050 -4.588 8.861 1.00 0.13 C ATOM 542 C1' DG B 18 5.087 -3.819 8.003 1.00 0.11 C ATOM 543 N9 DG B 18 4.799 -4.487 6.731 1.00 0.11 N ATOM 544 C8 DG B 18 5.735 -4.942 5.885 1.00 0.12 C ATOM 545 N7 DG B 18 5.242 -5.476 4.750 1.00 0.12 N ATOM 546 C5 DG B 18 3.899 -5.345 4.913 1.00 0.10 C ATOM 547 C6 DG B 18 2.842 -5.732 4.046 1.00 0.11 C ATOM 548 O6 DG B 18 2.881 -6.258 2.939 1.00 0.13 O ATOM 549 N1 DG B 18 1.614 -5.431 4.577 1.00 0.10 N ATOM 550 C2 DG B 18 1.398 -4.832 5.789 1.00 0.10 C ATOM 551 N2 DG B 18 0.135 -4.649 6.130 1.00 0.12 N ATOM 552 N3 DG B 18 2.372 -4.456 6.619 1.00 0.10 N ATOM 553 C4 DG B 18 3.598 -4.744 6.118 1.00 0.10 C ATOM 0 H5' DG B 18 7.946 -0.919 8.140 1.00 0.14 H new ATOM 0 H5'' DG B 18 8.366 -1.526 9.730 1.00 0.14 H new ATOM 0 H4' DG B 18 6.014 -1.489 9.386 1.00 0.10 H new ATOM 0 H3' DG B 18 7.504 -3.846 10.280 1.00 0.12 H new ATOM 0 H2' DG B 18 6.863 -5.011 8.271 1.00 0.13 H new ATOM 0 H2'' DG B 18 5.559 -5.419 9.369 1.00 0.13 H new ATOM 0 H1' DG B 18 4.120 -3.661 8.480 1.00 0.11 H new ATOM 0 H8 DG B 18 6.793 -4.885 6.095 1.00 0.12 H new ATOM 0 H1 DG B 18 0.793 -5.674 4.023 1.00 0.10 H new ATOM 0 H21 DG B 18 -0.094 -4.208 7.021 1.00 0.12 H new ATOM 0 H22 DG B 18 -0.611 -4.949 5.503 1.00 0.12 H new ATOM 565 P DA B 19 5.178 -4.562 11.960 1.00 0.21 P ATOM 566 OP1 DA B 19 5.106 -4.057 13.351 1.00 0.33 O ATOM 567 OP2 DA B 19 5.923 -5.808 11.666 1.00 0.29 O ATOM 568 O5' DA B 19 3.673 -4.724 11.398 1.00 0.17 O ATOM 569 C5' DA B 19 2.687 -3.685 11.560 1.00 0.13 C ATOM 570 C4' DA B 19 1.265 -4.180 11.273 1.00 0.11 C ATOM 571 O4' DA B 19 1.085 -4.613 9.913 1.00 0.12 O ATOM 572 C3' DA B 19 0.847 -5.307 12.184 1.00 0.09 C ATOM 573 O3' DA B 19 -0.526 -5.173 12.580 1.00 0.09 O ATOM 574 C2' DA B 19 1.145 -6.445 11.290 1.00 0.09 C ATOM 575 C1' DA B 19 0.732 -5.998 9.914 1.00 0.10 C ATOM 576 N9 DA B 19 1.533 -6.647 8.863 1.00 0.10 N ATOM 577 C8 DA B 19 2.882 -6.746 8.826 1.00 0.10 C ATOM 578 N7 DA B 19 3.362 -7.367 7.734 1.00 0.10 N ATOM 579 C5 DA B 19 2.234 -7.676 7.047 1.00 0.09 C ATOM 580 C6 DA B 19 2.037 -8.327 5.827 1.00 0.11 C ATOM 581 N6 DA B 19 3.053 -8.765 5.100 1.00 0.12 N ATOM 582 N1 DA B 19 0.780 -8.491 5.395 1.00 0.12 N ATOM 583 C2 DA B 19 -0.223 -8.032 6.136 1.00 0.12 C ATOM 584 N3 DA B 19 -0.169 -7.401 7.300 1.00 0.11 N ATOM 585 C4 DA B 19 1.109 -7.253 7.707 1.00 0.09 C ATOM 0 H5' DA B 19 2.922 -2.857 10.892 1.00 0.13 H new ATOM 0 H5'' DA B 19 2.735 -3.297 12.577 1.00 0.13 H new ATOM 0 H4' DA B 19 0.635 -3.310 11.458 1.00 0.11 H new ATOM 0 H3' DA B 19 1.343 -5.380 13.152 1.00 0.09 H new ATOM 0 H2' DA B 19 2.205 -6.698 11.318 1.00 0.09 H new ATOM 0 H2'' DA B 19 0.596 -7.336 11.594 1.00 0.09 H new ATOM 0 H1' DA B 19 -0.316 -6.225 9.717 1.00 0.10 H new ATOM 0 H8 DA B 19 3.519 -6.359 9.607 1.00 0.10 H new ATOM 0 H61 DA B 19 2.879 -9.237 4.213 1.00 0.12 H new ATOM 0 H62 DA B 19 4.010 -8.630 5.427 1.00 0.12 H new ATOM 0 H2 DA B 19 -1.213 -8.195 5.737 1.00 0.12 H new ATOM 597 P DT B 20 -1.334 -6.306 13.397 1.00 0.12 P ATOM 598 OP1 DT B 20 -2.469 -5.651 14.086 1.00 0.20 O ATOM 599 OP2 DT B 20 -0.363 -7.104 14.180 1.00 0.18 O ATOM 600 O5' DT B 20 -1.915 -7.232 12.210 1.00 0.11 O ATOM 601 C5' DT B 20 -2.943 -6.754 11.326 1.00 0.12 C ATOM 602 C4' DT B 20 -3.337 -7.796 10.278 1.00 0.12 C ATOM 603 O4' DT B 20 -2.258 -8.139 9.392 1.00 0.14 O ATOM 604 C3' DT B 20 -3.904 -9.069 10.873 1.00 0.12 C ATOM 605 O3' DT B 20 -5.044 -9.449 10.095 1.00 0.13 O ATOM 606 C2' DT B 20 -2.707 -9.969 10.684 1.00 0.12 C ATOM 607 C1' DT B 20 -2.217 -9.566 9.305 1.00 0.13 C ATOM 608 N1 DT B 20 -0.841 -9.962 8.944 1.00 0.13 N ATOM 609 C2 DT B 20 -0.624 -10.537 7.712 1.00 0.15 C ATOM 610 O2 DT B 20 -1.508 -10.789 6.901 1.00 0.18 O ATOM 611 N3 DT B 20 0.679 -10.836 7.418 1.00 0.14 N ATOM 612 C4 DT B 20 1.777 -10.626 8.211 1.00 0.14 C ATOM 613 O4 DT B 20 2.884 -10.941 7.782 1.00 0.16 O ATOM 614 C5 DT B 20 1.455 -10.025 9.486 1.00 0.13 C ATOM 615 C7 DT B 20 2.509 -9.694 10.532 1.00 0.12 C ATOM 616 C6 DT B 20 0.194 -9.727 9.792 1.00 0.12 C ATOM 0 H5' DT B 20 -2.597 -5.850 10.824 1.00 0.12 H new ATOM 0 H5'' DT B 20 -3.822 -6.478 11.909 1.00 0.12 H new ATOM 0 H4' DT B 20 -4.123 -7.303 9.706 1.00 0.12 H new ATOM 0 H3' DT B 20 -4.263 -9.048 11.902 1.00 0.12 H new ATOM 0 H2' DT B 20 -1.949 -9.804 11.450 1.00 0.12 H new ATOM 0 H2'' DT B 20 -2.980 -11.023 10.727 1.00 0.12 H new ATOM 0 H1' DT B 20 -2.826 -10.053 8.544 1.00 0.13 H new ATOM 0 H3 DT B 20 0.852 -11.262 6.508 1.00 0.14 H new ATOM 0 H71 DT B 20 2.185 -8.832 11.115 1.00 0.12 H new ATOM 0 H72 DT B 20 2.646 -10.549 11.194 1.00 0.12 H new ATOM 0 H73 DT B 20 3.452 -9.463 10.037 1.00 0.12 H new ATOM 0 H6 DT B 20 -0.014 -9.280 10.753 1.00 0.12 H new ATOM 629 P DG B 21 -6.099 -10.534 10.632 1.00 0.12 P ATOM 630 OP1 DG B 21 -7.337 -10.395 9.828 1.00 0.14 O ATOM 631 OP2 DG B 21 -6.170 -10.426 12.108 1.00 0.18 O ATOM 632 O5' DG B 21 -5.370 -11.925 10.265 1.00 0.16 O ATOM 633 C5' DG B 21 -5.687 -12.656 9.074 1.00 0.15 C ATOM 634 C4' DG B 21 -4.686 -13.760 8.754 1.00 0.14 C ATOM 635 O4' DG B 21 -3.394 -13.323 8.320 1.00 0.13 O ATOM 636 C3' DG B 21 -4.448 -14.740 9.903 1.00 0.13 C ATOM 637 O3' DG B 21 -5.380 -15.840 9.857 1.00 0.16 O ATOM 638 C2' DG B 21 -2.972 -15.071 9.707 1.00 0.13 C ATOM 639 C1' DG B 21 -2.600 -14.516 8.364 1.00 0.12 C ATOM 640 N9 DG B 21 -1.185 -14.166 8.285 1.00 0.09 N ATOM 641 C8 DG B 21 -0.492 -13.428 9.166 1.00 0.09 C ATOM 642 N7 DG B 21 0.811 -13.272 8.836 1.00 0.09 N ATOM 643 C5 DG B 21 0.917 -13.963 7.666 1.00 0.06 C ATOM 644 C6 DG B 21 2.043 -14.171 6.816 1.00 0.06 C ATOM 645 O6 DG B 21 3.201 -13.778 6.922 1.00 0.09 O ATOM 646 N1 DG B 21 1.721 -14.934 5.715 1.00 0.07 N ATOM 647 C2 DG B 21 0.478 -15.446 5.449 1.00 0.08 C ATOM 648 N2 DG B 21 0.342 -16.166 4.349 1.00 0.11 N ATOM 649 N3 DG B 21 -0.583 -15.265 6.227 1.00 0.09 N ATOM 650 C4 DG B 21 -0.291 -14.516 7.313 1.00 0.07 C ATOM 0 H5' DG B 21 -5.733 -11.963 8.234 1.00 0.15 H new ATOM 0 H5'' DG B 21 -6.679 -13.095 9.180 1.00 0.15 H new ATOM 0 H4' DG B 21 -5.193 -14.251 7.923 1.00 0.14 H new ATOM 0 H3' DG B 21 -4.631 -14.366 10.910 1.00 0.13 H new ATOM 0 H2' DG B 21 -2.364 -14.626 10.495 1.00 0.13 H new ATOM 0 H2'' DG B 21 -2.805 -16.147 9.744 1.00 0.13 H new ATOM 0 H1' DG B 21 -2.768 -15.221 7.550 1.00 0.12 H new ATOM 0 H8 DG B 21 -0.932 -12.999 10.054 1.00 0.09 H new ATOM 0 H1 DG B 21 2.465 -15.133 5.046 1.00 0.07 H new ATOM 0 H21 DG B 21 -0.565 -16.567 4.111 1.00 0.11 H new ATOM 0 H22 DG B 21 1.144 -16.321 3.738 1.00 0.11 H new ATOM 662 P DG B 22 -5.051 -17.408 10.103 1.00 0.13 P ATOM 663 OP1 DG B 22 -6.333 -18.144 10.183 1.00 0.17 O ATOM 664 OP2 DG B 22 -4.067 -17.525 11.203 1.00 0.19 O ATOM 665 O5' DG B 22 -4.313 -17.834 8.724 1.00 0.10 O ATOM 666 C5' DG B 22 -5.009 -17.796 7.465 1.00 0.09 C ATOM 667 C4' DG B 22 -4.386 -18.701 6.390 1.00 0.11 C ATOM 668 O4' DG B 22 -3.071 -18.291 5.969 1.00 0.13 O ATOM 669 C3' DG B 22 -4.298 -20.153 6.774 1.00 0.13 C ATOM 670 O3' DG B 22 -4.329 -20.962 5.599 1.00 0.17 O ATOM 671 C2' DG B 22 -2.940 -20.147 7.344 1.00 0.14 C ATOM 672 C1' DG B 22 -2.137 -19.289 6.404 1.00 0.14 C ATOM 673 N9 DG B 22 -1.024 -18.621 7.086 1.00 0.12 N ATOM 674 C8 DG B 22 -1.045 -18.001 8.290 1.00 0.13 C ATOM 675 N7 DG B 22 0.142 -17.460 8.640 1.00 0.14 N ATOM 676 C5 DG B 22 0.946 -17.767 7.586 1.00 0.12 C ATOM 677 C6 DG B 22 2.319 -17.466 7.367 1.00 0.13 C ATOM 678 O6 DG B 22 3.113 -16.843 8.066 1.00 0.15 O ATOM 679 N1 DG B 22 2.764 -17.961 6.164 1.00 0.11 N ATOM 680 C2 DG B 22 2.001 -18.661 5.264 1.00 0.10 C ATOM 681 N2 DG B 22 2.585 -19.065 4.151 1.00 0.11 N ATOM 682 N3 DG B 22 0.718 -18.952 5.448 1.00 0.10 N ATOM 683 C4 DG B 22 0.257 -18.475 6.629 1.00 0.11 C ATOM 0 H5' DG B 22 -5.025 -16.769 7.099 1.00 0.09 H new ATOM 0 H5'' DG B 22 -6.045 -18.094 7.623 1.00 0.09 H new ATOM 0 H4' DG B 22 -5.090 -18.587 5.566 1.00 0.11 H new ATOM 0 H3' DG B 22 -5.088 -20.530 7.423 1.00 0.13 H new ATOM 0 H2' DG B 22 -2.936 -19.739 8.355 1.00 0.14 H new ATOM 0 H2'' DG B 22 -2.532 -21.156 7.406 1.00 0.14 H new ATOM 0 HO3' DG B 22 -4.270 -21.907 5.851 1.00 0.17 H new ATOM 0 H1' DG B 22 -1.702 -19.883 5.600 1.00 0.14 H new ATOM 0 H8 DG B 22 -1.927 -17.945 8.911 1.00 0.13 H new ATOM 0 H1 DG B 22 3.740 -17.794 5.921 1.00 0.11 H new ATOM 0 H21 DG B 22 2.052 -19.588 3.456 1.00 0.11 H new ATOM 0 H22 DG B 22 3.569 -18.854 3.986 1.00 0.11 H new TER 696 DG B 22 HETATM 697 C1 BPJ A 25 1.856 -0.743 6.888 1.00 0.12 C HETATM 698 C2 BPJ A 25 1.694 -1.396 8.288 1.00 0.12 C HETATM 699 O2 BPJ A 25 0.565 -2.234 8.511 1.00 0.16 O HETATM 700 C3 BPJ A 25 1.603 -0.283 9.356 1.00 0.11 C HETATM 701 O3 BPJ A 25 0.627 0.719 9.044 1.00 0.13 O HETATM 702 C4 BPJ A 25 3.001 0.400 9.412 1.00 0.09 C HETATM 703 O4 BPJ A 25 3.958 -0.432 10.077 1.00 0.10 O HETATM 704 C5 BPJ A 25 4.717 1.480 8.047 1.00 0.10 C HETATM 705 C6 BPJ A 25 5.269 1.869 6.821 1.00 0.09 C HETATM 706 C7 BPJ A 25 5.190 1.915 4.455 1.00 0.09 C HETATM 707 C8 BPJ A 25 4.582 1.638 3.213 1.00 0.09 C HETATM 708 C9 BPJ A 25 2.525 1.211 1.958 1.00 0.10 C HETATM 709 C10 BPJ A 25 1.124 1.086 1.956 1.00 0.10 C HETATM 710 C11 BPJ A 25 0.423 1.047 3.177 1.00 0.10 C HETATM 711 C12 BPJ A 25 1.135 1.060 4.387 1.00 0.09 C HETATM 712 C13 BPJ A 25 2.836 0.343 6.879 1.00 0.10 C HETATM 713 C14 BPJ A 25 3.525 0.706 8.094 1.00 0.10 C HETATM 714 C15 BPJ A 25 4.561 1.596 5.650 1.00 0.08 C HETATM 715 C16 BPJ A 25 3.292 0.976 5.664 1.00 0.08 C HETATM 716 C17 BPJ A 25 2.555 1.099 4.440 1.00 0.07 C HETATM 717 C18 BPJ A 25 3.217 1.274 3.188 1.00 0.08 C HETATM 0 H11A BPJ A 25 0.891 -0.358 6.558 1.00 0.12 H new HETATM 0 HO4 BPJ A 25 4.712 0.115 10.381 1.00 0.10 H new HETATM 0 HO3 BPJ A 25 0.613 1.394 9.754 1.00 0.13 H new HETATM 0 HO2 BPJ A 25 0.847 -3.042 8.988 1.00 0.16 H new HETATM 0 H9 BPJ A 25 3.073 1.259 1.017 1.00 0.10 H new HETATM 0 H8 BPJ A 25 5.155 1.704 2.288 1.00 0.09 H new HETATM 0 H7 BPJ A 25 6.172 2.388 4.477 1.00 0.09 H new HETATM 0 H6 BPJ A 25 6.233 2.375 6.782 1.00 0.09 H new HETATM 0 H5 BPJ A 25 5.206 1.774 8.976 1.00 0.10 H new HETATM 0 H4 BPJ A 25 2.850 1.328 9.963 1.00 0.09 H new HETATM 0 H3 BPJ A 25 1.304 -0.735 10.302 1.00 0.11 H new HETATM 0 H2 BPJ A 25 2.569 -2.042 8.351 1.00 0.12 H new HETATM 0 H12 BPJ A 25 0.577 1.039 5.323 1.00 0.09 H new HETATM 0 H11 BPJ A 25 -0.666 1.007 3.183 1.00 0.10 H new HETATM 0 H10 BPJ A 25 0.582 1.020 1.012 1.00 0.10 H new