USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 276 hydrogens (0 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 Set 1.1: A 1 DA O5' : rot 81:sc= 1.23 USER MOD Set 1.2: B 7 DT C7 :methyl 150:sc= -0.53 (180deg=-0.527) USER MOD Set 2.1: A 7 DT C7 :methyl 150:sc= -0.521 (180deg=-0.518) USER MOD Set 2.2: B 1 DA O5' : rot 91:sc= 1.23 USER MOD Single : A 5 DT C7 :methyl -30:sc= -0.0482 (180deg=-0.915) USER MOD Single : A 6 DT C7 :methyl 150:sc=-0.000423 (180deg=-0.000423) USER MOD Single : A 8 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DG O3' : rot 180:sc= 0 USER MOD Single : B 5 DT C7 :methyl -30:sc= -0.0494 (180deg=-0.927) USER MOD Single : B 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 8 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 12 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 11.564 7.733 -0.462 1.00 0.00 O ATOM 2 C5' DA A 1 12.365 8.472 0.465 1.00 0.00 C ATOM 3 C4' DA A 1 11.501 9.346 1.397 1.00 0.00 C ATOM 4 O4' DA A 1 10.861 10.422 0.661 1.00 0.00 O ATOM 5 C3' DA A 1 10.402 8.519 2.057 1.00 0.00 C ATOM 6 O3' DA A 1 10.439 8.688 3.482 1.00 0.00 O ATOM 7 C2' DA A 1 9.103 9.036 1.484 1.00 0.00 C ATOM 8 C1' DA A 1 9.427 10.369 0.846 1.00 0.00 C ATOM 9 N9 DA A 1 8.716 10.521 -0.429 1.00 0.00 N ATOM 10 C8 DA A 1 7.526 11.104 -0.653 1.00 0.00 C ATOM 11 N7 DA A 1 7.079 11.115 -1.863 1.00 0.00 N ATOM 12 C5 DA A 1 8.106 10.453 -2.542 1.00 0.00 C ATOM 13 C6 DA A 1 8.286 10.112 -3.885 1.00 0.00 C ATOM 14 N6 DA A 1 7.397 10.404 -4.833 1.00 0.00 N ATOM 15 N1 DA A 1 9.417 9.460 -4.212 1.00 0.00 N ATOM 16 C2 DA A 1 10.318 9.164 -3.275 1.00 0.00 C ATOM 17 N3 DA A 1 10.250 9.438 -1.977 1.00 0.00 N ATOM 18 C4 DA A 1 9.110 10.088 -1.674 1.00 0.00 C ATOM 0 H5' DA A 1 13.064 9.105 -0.082 1.00 0.00 H new ATOM 0 H5'' DA A 1 12.960 7.782 1.062 1.00 0.00 H new ATOM 0 H4' DA A 1 12.171 9.756 2.153 1.00 0.00 H new ATOM 0 H3' DA A 1 10.523 7.453 1.865 1.00 0.00 H new ATOM 0 H2' DA A 1 8.697 8.341 0.749 1.00 0.00 H new ATOM 0 H2'' DA A 1 8.351 9.150 2.265 1.00 0.00 H new ATOM 0 HO5' DA A 1 11.313 8.312 -1.212 1.00 0.00 H new ATOM 0 H1' DA A 1 9.102 11.191 1.484 1.00 0.00 H new ATOM 0 H8 DA A 1 6.962 11.549 0.154 1.00 0.00 H new ATOM 0 H61 DA A 1 7.575 10.133 -5.800 1.00 0.00 H new ATOM 0 H62 DA A 1 6.538 10.899 -4.592 1.00 0.00 H new ATOM 0 H2 DA A 1 11.203 8.643 -3.609 1.00 0.00 H new ATOM 31 P DA A 2 9.473 7.827 4.442 1.00 0.00 P ATOM 32 OP1 DA A 2 9.928 8.001 5.838 1.00 0.00 O ATOM 33 OP2 DA A 2 9.350 6.464 3.876 1.00 0.00 O ATOM 34 O5' DA A 2 8.060 8.569 4.275 1.00 0.00 O ATOM 35 C5' DA A 2 7.849 9.880 4.807 1.00 0.00 C ATOM 36 C4' DA A 2 6.464 10.395 4.428 1.00 0.00 C ATOM 37 O4' DA A 2 6.351 10.533 2.995 1.00 0.00 O ATOM 38 C3' DA A 2 5.358 9.443 4.894 1.00 0.00 C ATOM 39 O3' DA A 2 4.553 10.054 5.910 1.00 0.00 O ATOM 40 C2' DA A 2 4.539 9.136 3.667 1.00 0.00 C ATOM 41 C1' DA A 2 5.090 9.999 2.548 1.00 0.00 C ATOM 42 N9 DA A 2 5.250 9.224 1.305 1.00 0.00 N ATOM 43 C8 DA A 2 5.883 8.044 1.086 1.00 0.00 C ATOM 44 N7 DA A 2 5.893 7.589 -0.121 1.00 0.00 N ATOM 45 C5 DA A 2 5.175 8.584 -0.800 1.00 0.00 C ATOM 46 C6 DA A 2 4.799 8.741 -2.139 1.00 0.00 C ATOM 47 N6 DA A 2 5.110 7.866 -3.090 1.00 0.00 N ATOM 48 N1 DA A 2 4.090 9.838 -2.461 1.00 0.00 N ATOM 49 C2 DA A 2 3.770 10.730 -1.523 1.00 0.00 C ATOM 50 N3 DA A 2 4.076 10.683 -0.232 1.00 0.00 N ATOM 51 C4 DA A 2 4.783 9.577 0.065 1.00 0.00 C ATOM 0 H5' DA A 2 8.612 10.560 4.428 1.00 0.00 H new ATOM 0 H5'' DA A 2 7.951 9.859 5.892 1.00 0.00 H new ATOM 0 H4' DA A 2 6.344 11.360 4.920 1.00 0.00 H new ATOM 0 H3' DA A 2 5.770 8.535 5.334 1.00 0.00 H new ATOM 0 H2' DA A 2 4.608 8.079 3.410 1.00 0.00 H new ATOM 0 H2'' DA A 2 3.485 9.354 3.841 1.00 0.00 H new ATOM 0 H1' DA A 2 4.396 10.808 2.319 1.00 0.00 H new ATOM 0 H8 DA A 2 6.360 7.506 1.892 1.00 0.00 H new ATOM 0 H61 DA A 2 4.810 8.029 -4.051 1.00 0.00 H new ATOM 0 H62 DA A 2 5.648 7.031 -2.859 1.00 0.00 H new ATOM 0 H2 DA A 2 3.198 11.586 -1.850 1.00 0.00 H new ATOM 63 P DG A 3 3.848 9.155 7.045 1.00 0.00 P ATOM 64 OP1 DG A 3 4.367 9.581 8.364 1.00 0.00 O ATOM 65 OP2 DG A 3 3.940 7.733 6.640 1.00 0.00 O ATOM 66 O5' DG A 3 2.306 9.602 6.945 1.00 0.00 O ATOM 67 C5' DG A 3 1.640 9.617 5.680 1.00 0.00 C ATOM 68 C4' DG A 3 0.138 9.756 5.832 1.00 0.00 C ATOM 69 O4' DG A 3 -0.512 9.722 4.538 1.00 0.00 O ATOM 70 C3' DG A 3 -0.400 8.611 6.671 1.00 0.00 C ATOM 71 O3' DG A 3 -1.219 9.101 7.741 1.00 0.00 O ATOM 72 C2' DG A 3 -1.191 7.767 5.705 1.00 0.00 C ATOM 73 C1' DG A 3 -1.476 8.655 4.509 1.00 0.00 C ATOM 74 N9 DG A 3 -1.408 7.898 3.249 1.00 0.00 N ATOM 75 C8 DG A 3 -2.260 7.928 2.203 1.00 0.00 C ATOM 76 N7 DG A 3 -2.041 7.116 1.226 1.00 0.00 N ATOM 77 C5 DG A 3 -0.892 6.453 1.664 1.00 0.00 C ATOM 78 C6 DG A 3 -0.145 5.426 1.034 1.00 0.00 C ATOM 79 O6 DG A 3 -0.361 4.890 -0.048 1.00 0.00 O ATOM 80 N1 DG A 3 0.937 5.034 1.804 1.00 0.00 N ATOM 81 C2 DG A 3 1.269 5.564 3.036 1.00 0.00 C ATOM 82 N2 DG A 3 2.363 5.072 3.623 1.00 0.00 N ATOM 83 N3 DG A 3 0.570 6.531 3.640 1.00 0.00 N ATOM 84 C4 DG A 3 -0.494 6.928 2.903 1.00 0.00 C ATOM 0 H5' DG A 3 1.866 8.698 5.140 1.00 0.00 H new ATOM 0 H5'' DG A 3 2.022 10.442 5.079 1.00 0.00 H new ATOM 0 H4' DG A 3 -0.068 10.711 6.316 1.00 0.00 H new ATOM 0 H3' DG A 3 0.394 8.037 7.150 1.00 0.00 H new ATOM 0 H2' DG A 3 -0.628 6.882 5.408 1.00 0.00 H new ATOM 0 H2'' DG A 3 -2.117 7.417 6.161 1.00 0.00 H new ATOM 0 H1' DG A 3 -2.488 9.056 4.562 1.00 0.00 H new ATOM 0 H8 DG A 3 -3.098 8.610 2.185 1.00 0.00 H new ATOM 0 H1 DG A 3 1.536 4.296 1.433 1.00 0.00 H new ATOM 0 H21 DG A 3 2.656 5.426 4.534 1.00 0.00 H new ATOM 0 H22 DG A 3 2.905 4.342 3.161 1.00 0.00 H new ATOM 96 P DG A 4 -2.156 8.102 8.592 1.00 0.00 P ATOM 97 OP1 DG A 4 -2.491 8.764 9.872 1.00 0.00 O ATOM 98 OP2 DG A 4 -1.530 6.759 8.594 1.00 0.00 O ATOM 99 O5' DG A 4 -3.483 8.045 7.692 1.00 0.00 O ATOM 100 C5' DG A 4 -4.060 9.251 7.186 1.00 0.00 C ATOM 101 C4' DG A 4 -5.036 8.959 6.064 1.00 0.00 C ATOM 102 O4' DG A 4 -4.387 8.270 4.983 1.00 0.00 O ATOM 103 C3' DG A 4 -6.164 8.076 6.564 1.00 0.00 C ATOM 104 O3' DG A 4 -7.375 8.821 6.723 1.00 0.00 O ATOM 105 C2' DG A 4 -6.317 7.002 5.519 1.00 0.00 C ATOM 106 C1' DG A 4 -5.299 7.309 4.440 1.00 0.00 C ATOM 107 N9 DG A 4 -4.591 6.088 4.028 1.00 0.00 N ATOM 108 C8 DG A 4 -3.804 5.273 4.760 1.00 0.00 C ATOM 109 N7 DG A 4 -3.286 4.250 4.168 1.00 0.00 N ATOM 110 C5 DG A 4 -3.787 4.389 2.873 1.00 0.00 C ATOM 111 C6 DG A 4 -3.589 3.574 1.729 1.00 0.00 C ATOM 112 O6 DG A 4 -2.910 2.552 1.628 1.00 0.00 O ATOM 113 N1 DG A 4 -4.278 4.069 0.631 1.00 0.00 N ATOM 114 C2 DG A 4 -5.061 5.207 0.629 1.00 0.00 C ATOM 115 N2 DG A 4 -5.659 5.516 -0.524 1.00 0.00 N ATOM 116 N3 DG A 4 -5.247 5.979 1.702 1.00 0.00 N ATOM 117 C4 DG A 4 -4.588 5.515 2.782 1.00 0.00 C ATOM 0 H5' DG A 4 -3.272 9.911 6.824 1.00 0.00 H new ATOM 0 H5'' DG A 4 -4.573 9.778 7.991 1.00 0.00 H new ATOM 0 H4' DG A 4 -5.424 9.916 5.714 1.00 0.00 H new ATOM 0 H3' DG A 4 -5.944 7.657 7.546 1.00 0.00 H new ATOM 0 H2' DG A 4 -6.143 6.015 5.948 1.00 0.00 H new ATOM 0 H2'' DG A 4 -7.327 6.999 5.110 1.00 0.00 H new ATOM 0 H1' DG A 4 -5.788 7.706 3.551 1.00 0.00 H new ATOM 0 H8 DG A 4 -3.614 5.470 5.805 1.00 0.00 H new ATOM 0 H1 DG A 4 -4.200 3.551 -0.244 1.00 0.00 H new ATOM 0 H21 DG A 4 -6.250 6.345 -0.586 1.00 0.00 H new ATOM 0 H22 DG A 4 -5.525 4.923 -1.343 1.00 0.00 H new ATOM 129 P DT A 5 -8.680 8.128 7.358 1.00 0.00 P ATOM 130 OP1 DT A 5 -9.613 9.199 7.767 1.00 0.00 O ATOM 131 OP2 DT A 5 -8.241 7.118 8.346 1.00 0.00 O ATOM 132 O5' DT A 5 -9.307 7.363 6.095 1.00 0.00 O ATOM 133 C5' DT A 5 -9.891 8.116 5.033 1.00 0.00 C ATOM 134 C4' DT A 5 -10.363 7.227 3.896 1.00 0.00 C ATOM 135 O4' DT A 5 -9.257 6.564 3.246 1.00 0.00 O ATOM 136 C3' DT A 5 -11.320 6.162 4.395 1.00 0.00 C ATOM 137 O3' DT A 5 -12.662 6.513 4.034 1.00 0.00 O ATOM 138 C2' DT A 5 -10.857 4.866 3.737 1.00 0.00 C ATOM 139 C1' DT A 5 -9.657 5.232 2.868 1.00 0.00 C ATOM 140 N1 DT A 5 -8.553 4.268 3.060 1.00 0.00 N ATOM 141 C2 DT A 5 -8.083 3.606 1.939 1.00 0.00 C ATOM 142 O2 DT A 5 -8.537 3.808 0.811 1.00 0.00 O ATOM 143 N3 DT A 5 -7.071 2.696 2.163 1.00 0.00 N ATOM 144 C4 DT A 5 -6.494 2.399 3.389 1.00 0.00 C ATOM 145 O4 DT A 5 -5.597 1.575 3.480 1.00 0.00 O ATOM 146 C5 DT A 5 -7.046 3.139 4.493 1.00 0.00 C ATOM 147 C7 DT A 5 -6.511 2.895 5.903 1.00 0.00 C ATOM 148 C6 DT A 5 -8.033 4.028 4.307 1.00 0.00 C ATOM 0 H5' DT A 5 -9.163 8.833 4.654 1.00 0.00 H new ATOM 0 H5'' DT A 5 -10.734 8.691 5.417 1.00 0.00 H new ATOM 0 H4' DT A 5 -10.868 7.880 3.184 1.00 0.00 H new ATOM 0 H3' DT A 5 -11.318 6.057 5.480 1.00 0.00 H new ATOM 0 H2' DT A 5 -10.582 4.125 4.488 1.00 0.00 H new ATOM 0 H2'' DT A 5 -11.654 4.429 3.135 1.00 0.00 H new ATOM 0 H1' DT A 5 -9.919 5.197 1.811 1.00 0.00 H new ATOM 0 H3 DT A 5 -6.713 2.194 1.350 1.00 0.00 H new ATOM 0 H71 DT A 5 -6.168 1.864 5.989 1.00 0.00 H new ATOM 0 H72 DT A 5 -5.679 3.572 6.099 1.00 0.00 H new ATOM 0 H73 DT A 5 -7.304 3.075 6.629 1.00 0.00 H new ATOM 0 H6 DT A 5 -8.427 4.566 5.157 1.00 0.00 H new ATOM 161 P DT A 6 -13.774 5.400 3.711 1.00 0.00 P ATOM 162 OP1 DT A 6 -15.094 5.936 4.110 1.00 0.00 O ATOM 163 OP2 DT A 6 -13.317 4.092 4.238 1.00 0.00 O ATOM 164 O5' DT A 6 -13.704 5.360 2.109 1.00 0.00 O ATOM 165 C5' DT A 6 -14.894 5.267 1.323 1.00 0.00 C ATOM 166 C4' DT A 6 -14.585 4.657 -0.046 1.00 0.00 C ATOM 167 O4' DT A 6 -13.886 5.598 -0.913 1.00 0.00 O ATOM 168 C3' DT A 6 -13.687 3.436 0.130 1.00 0.00 C ATOM 169 O3' DT A 6 -14.296 2.274 -0.441 1.00 0.00 O ATOM 170 C2' DT A 6 -12.397 3.783 -0.563 1.00 0.00 C ATOM 171 C1' DT A 6 -12.719 4.959 -1.479 1.00 0.00 C ATOM 172 N1 DT A 6 -11.571 5.882 -1.560 1.00 0.00 N ATOM 173 C2 DT A 6 -10.751 5.766 -2.664 1.00 0.00 C ATOM 174 O2 DT A 6 -10.962 4.940 -3.549 1.00 0.00 O ATOM 175 N3 DT A 6 -9.673 6.625 -2.712 1.00 0.00 N ATOM 176 C4 DT A 6 -9.342 7.575 -1.764 1.00 0.00 C ATOM 177 O4 DT A 6 -8.339 8.277 -1.905 1.00 0.00 O ATOM 178 C5 DT A 6 -10.257 7.625 -0.643 1.00 0.00 C ATOM 179 C7 DT A 6 -10.007 8.625 0.484 1.00 0.00 C ATOM 180 C6 DT A 6 -11.323 6.796 -0.579 1.00 0.00 C ATOM 0 H5' DT A 6 -15.332 6.257 1.196 1.00 0.00 H new ATOM 0 H5'' DT A 6 -15.633 4.656 1.842 1.00 0.00 H new ATOM 0 H4' DT A 6 -15.538 4.389 -0.503 1.00 0.00 H new ATOM 0 H3' DT A 6 -13.518 3.200 1.181 1.00 0.00 H new ATOM 0 H2' DT A 6 -11.625 4.050 0.159 1.00 0.00 H new ATOM 0 H2'' DT A 6 -12.020 2.935 -1.134 1.00 0.00 H new ATOM 0 H1' DT A 6 -12.918 4.636 -2.501 1.00 0.00 H new ATOM 0 H3 DT A 6 -9.061 6.552 -3.525 1.00 0.00 H new ATOM 0 H71 DT A 6 -10.959 8.920 0.926 1.00 0.00 H new ATOM 0 H72 DT A 6 -9.380 8.164 1.247 1.00 0.00 H new ATOM 0 H73 DT A 6 -9.504 9.506 0.084 1.00 0.00 H new ATOM 0 H6 DT A 6 -11.992 6.859 0.267 1.00 0.00 H new ATOM 193 P DT A 7 -14.548 0.958 0.453 1.00 0.00 P ATOM 194 OP1 DT A 7 -15.838 0.360 0.050 1.00 0.00 O ATOM 195 OP2 DT A 7 -14.305 1.301 1.872 1.00 0.00 O ATOM 196 O5' DT A 7 -13.369 -0.016 -0.033 1.00 0.00 O ATOM 197 C5' DT A 7 -13.030 -0.106 -1.417 1.00 0.00 C ATOM 198 C4' DT A 7 -11.620 -0.661 -1.599 1.00 0.00 C ATOM 199 O4' DT A 7 -10.664 0.019 -0.741 1.00 0.00 O ATOM 200 C3' DT A 7 -11.607 -2.135 -1.224 1.00 0.00 C ATOM 201 O3' DT A 7 -10.938 -2.906 -2.219 1.00 0.00 O ATOM 202 C2' DT A 7 -10.843 -2.196 0.081 1.00 0.00 C ATOM 203 C1' DT A 7 -9.981 -0.951 0.091 1.00 0.00 C ATOM 204 N1 DT A 7 -9.802 -0.436 1.464 1.00 0.00 N ATOM 205 C2 DT A 7 -8.561 -0.594 2.056 1.00 0.00 C ATOM 206 O2 DT A 7 -7.632 -1.165 1.496 1.00 0.00 O ATOM 207 N3 DT A 7 -8.425 -0.078 3.326 1.00 0.00 N ATOM 208 C4 DT A 7 -9.403 0.578 4.047 1.00 0.00 C ATOM 209 O4 DT A 7 -9.159 1.021 5.162 1.00 0.00 O ATOM 210 C5 DT A 7 -10.667 0.693 3.358 1.00 0.00 C ATOM 211 C7 DT A 7 -11.840 1.383 4.051 1.00 0.00 C ATOM 212 C6 DT A 7 -10.827 0.192 2.115 1.00 0.00 C ATOM 0 H5' DT A 7 -13.099 0.880 -1.877 1.00 0.00 H new ATOM 0 H5'' DT A 7 -13.746 -0.748 -1.930 1.00 0.00 H new ATOM 0 H4' DT A 7 -11.339 -0.511 -2.641 1.00 0.00 H new ATOM 0 H3' DT A 7 -12.615 -2.540 -1.138 1.00 0.00 H new ATOM 0 H2' DT A 7 -11.521 -2.213 0.934 1.00 0.00 H new ATOM 0 H2'' DT A 7 -10.234 -3.098 0.140 1.00 0.00 H new ATOM 0 H1' DT A 7 -8.981 -1.164 -0.288 1.00 0.00 H new ATOM 0 H3 DT A 7 -7.517 -0.191 3.776 1.00 0.00 H new ATOM 0 H71 DT A 7 -12.479 1.852 3.303 1.00 0.00 H new ATOM 0 H72 DT A 7 -12.416 0.646 4.611 1.00 0.00 H new ATOM 0 H73 DT A 7 -11.463 2.144 4.734 1.00 0.00 H new ATOM 0 H6 DT A 7 -11.784 0.289 1.625 1.00 0.00 H new ATOM 225 P DT A 8 -11.437 -2.953 -3.750 1.00 0.00 P ATOM 226 OP1 DT A 8 -11.316 -1.598 -4.334 1.00 0.00 O ATOM 227 OP2 DT A 8 -12.723 -3.679 -3.807 1.00 0.00 O ATOM 228 O5' DT A 8 -10.309 -3.896 -4.392 1.00 0.00 O ATOM 229 C5' DT A 8 -9.264 -4.415 -3.557 1.00 0.00 C ATOM 230 C4' DT A 8 -8.398 -5.417 -4.298 1.00 0.00 C ATOM 231 O4' DT A 8 -9.157 -6.609 -4.613 1.00 0.00 O ATOM 232 C3' DT A 8 -7.880 -4.824 -5.598 1.00 0.00 C ATOM 233 O3' DT A 8 -6.466 -4.980 -5.683 1.00 0.00 O ATOM 234 C2' DT A 8 -8.560 -5.606 -6.700 1.00 0.00 C ATOM 235 C1' DT A 8 -9.123 -6.857 -6.033 1.00 0.00 C ATOM 236 N1 DT A 8 -10.469 -7.201 -6.553 1.00 0.00 N ATOM 237 C2 DT A 8 -10.617 -8.446 -7.142 1.00 0.00 C ATOM 238 O2 DT A 8 -9.686 -9.243 -7.240 1.00 0.00 O ATOM 239 N3 DT A 8 -11.877 -8.750 -7.615 1.00 0.00 N ATOM 240 C4 DT A 8 -12.990 -7.933 -7.554 1.00 0.00 C ATOM 241 O4 DT A 8 -14.067 -8.309 -8.011 1.00 0.00 O ATOM 242 C5 DT A 8 -12.747 -6.656 -6.924 1.00 0.00 C ATOM 243 C7 DT A 8 -13.889 -5.653 -6.789 1.00 0.00 C ATOM 244 C6 DT A 8 -11.528 -6.332 -6.454 1.00 0.00 C ATOM 0 H5' DT A 8 -9.702 -4.891 -2.680 1.00 0.00 H new ATOM 0 H5'' DT A 8 -8.644 -3.594 -3.198 1.00 0.00 H new ATOM 0 H4' DT A 8 -7.560 -5.669 -3.648 1.00 0.00 H new ATOM 0 H3' DT A 8 -8.092 -3.757 -5.669 1.00 0.00 H new ATOM 0 H2' DT A 8 -9.353 -5.019 -7.164 1.00 0.00 H new ATOM 0 H2'' DT A 8 -7.854 -5.867 -7.488 1.00 0.00 H new ATOM 0 H1' DT A 8 -8.489 -7.715 -6.255 1.00 0.00 H new ATOM 0 H3 DT A 8 -11.998 -9.664 -8.051 1.00 0.00 H new ATOM 0 H71 DT A 8 -13.734 -5.043 -5.899 1.00 0.00 H new ATOM 0 H72 DT A 8 -13.915 -5.011 -7.669 1.00 0.00 H new ATOM 0 H73 DT A 8 -14.835 -6.188 -6.702 1.00 0.00 H new ATOM 0 H6 DT A 8 -11.380 -5.368 -5.989 1.00 0.00 H new ATOM 257 P DA A 9 -5.613 -4.135 -6.748 1.00 0.00 P ATOM 258 OP1 DA A 9 -6.442 -3.004 -7.225 1.00 0.00 O ATOM 259 OP2 DA A 9 -5.024 -5.078 -7.720 1.00 0.00 O ATOM 260 O5' DA A 9 -4.434 -3.540 -5.828 1.00 0.00 O ATOM 261 C5' DA A 9 -4.658 -2.370 -5.030 1.00 0.00 C ATOM 262 C4' DA A 9 -4.149 -2.545 -3.595 1.00 0.00 C ATOM 263 O4' DA A 9 -4.293 -1.316 -2.844 1.00 0.00 O ATOM 264 C3' DA A 9 -4.923 -3.634 -2.854 1.00 0.00 C ATOM 265 O3' DA A 9 -4.003 -4.581 -2.284 1.00 0.00 O ATOM 266 C2' DA A 9 -5.701 -2.917 -1.772 1.00 0.00 C ATOM 267 C1' DA A 9 -5.044 -1.557 -1.636 1.00 0.00 C ATOM 268 N9 DA A 9 -6.033 -0.492 -1.411 1.00 0.00 N ATOM 269 C8 DA A 9 -6.100 0.366 -0.380 1.00 0.00 C ATOM 270 N7 DA A 9 -7.026 1.260 -0.396 1.00 0.00 N ATOM 271 C5 DA A 9 -7.675 0.965 -1.601 1.00 0.00 C ATOM 272 C6 DA A 9 -8.773 1.541 -2.247 1.00 0.00 C ATOM 273 N6 DA A 9 -9.423 2.597 -1.762 1.00 0.00 N ATOM 274 N1 DA A 9 -9.157 1.001 -3.420 1.00 0.00 N ATOM 275 C2 DA A 9 -8.498 -0.046 -3.929 1.00 0.00 C ATOM 276 N3 DA A 9 -7.440 -0.665 -3.401 1.00 0.00 N ATOM 277 C4 DA A 9 -7.079 -0.105 -2.227 1.00 0.00 C ATOM 0 H5' DA A 9 -5.724 -2.143 -5.011 1.00 0.00 H new ATOM 0 H5'' DA A 9 -4.159 -1.517 -5.490 1.00 0.00 H new ATOM 0 H4' DA A 9 -3.098 -2.825 -3.671 1.00 0.00 H new ATOM 0 H3' DA A 9 -5.589 -4.190 -3.514 1.00 0.00 H new ATOM 0 H2' DA A 9 -6.752 -2.820 -2.043 1.00 0.00 H new ATOM 0 H2'' DA A 9 -5.664 -3.467 -0.832 1.00 0.00 H new ATOM 0 H1' DA A 9 -4.387 -1.551 -0.767 1.00 0.00 H new ATOM 0 H8 DA A 9 -5.398 0.308 0.438 1.00 0.00 H new ATOM 0 H61 DA A 9 -10.219 2.983 -2.269 1.00 0.00 H new ATOM 0 H62 DA A 9 -9.125 3.020 -0.883 1.00 0.00 H new ATOM 0 H2 DA A 9 -8.862 -0.432 -4.870 1.00 0.00 H new ATOM 289 P DA A 10 -4.484 -6.056 -1.850 1.00 0.00 P ATOM 290 OP1 DA A 10 -4.984 -6.750 -3.058 1.00 0.00 O ATOM 291 OP2 DA A 10 -5.363 -5.913 -0.665 1.00 0.00 O ATOM 292 O5' DA A 10 -3.123 -6.775 -1.384 1.00 0.00 O ATOM 293 C5' DA A 10 -1.914 -6.634 -2.135 1.00 0.00 C ATOM 294 C4' DA A 10 -0.743 -6.210 -1.205 1.00 0.00 C ATOM 295 O4' DA A 10 -0.754 -4.786 -0.953 1.00 0.00 O ATOM 296 C3' DA A 10 -0.808 -6.914 0.163 1.00 0.00 C ATOM 297 O3' DA A 10 0.392 -7.659 0.401 1.00 0.00 O ATOM 298 C2' DA A 10 -0.961 -5.806 1.188 1.00 0.00 C ATOM 299 C1' DA A 10 -0.626 -4.528 0.468 1.00 0.00 C ATOM 300 N9 DA A 10 -1.530 -3.448 0.856 1.00 0.00 N ATOM 301 C8 DA A 10 -2.211 -2.621 0.060 1.00 0.00 C ATOM 302 N7 DA A 10 -2.940 -1.718 0.608 1.00 0.00 N ATOM 303 C5 DA A 10 -2.719 -1.975 1.959 1.00 0.00 C ATOM 304 C6 DA A 10 -3.198 -1.371 3.111 1.00 0.00 C ATOM 305 N6 DA A 10 -4.023 -0.339 3.075 1.00 0.00 N ATOM 306 N1 DA A 10 -2.788 -1.866 4.290 1.00 0.00 N ATOM 307 C2 DA A 10 -1.945 -2.903 4.325 1.00 0.00 C ATOM 308 N3 DA A 10 -1.425 -3.553 3.288 1.00 0.00 N ATOM 309 C4 DA A 10 -1.858 -3.032 2.124 1.00 0.00 C ATOM 0 H5' DA A 10 -2.051 -5.890 -2.920 1.00 0.00 H new ATOM 0 H5'' DA A 10 -1.673 -7.576 -2.627 1.00 0.00 H new ATOM 0 H4' DA A 10 0.167 -6.499 -1.731 1.00 0.00 H new ATOM 0 H3' DA A 10 -1.635 -7.622 0.212 1.00 0.00 H new ATOM 0 H2' DA A 10 -1.977 -5.777 1.583 1.00 0.00 H new ATOM 0 H2'' DA A 10 -0.294 -5.963 2.035 1.00 0.00 H new ATOM 0 H1' DA A 10 0.386 -4.215 0.725 1.00 0.00 H new ATOM 0 H8 DA A 10 -2.150 -2.709 -1.015 1.00 0.00 H new ATOM 0 H61 DA A 10 -4.355 0.079 3.944 1.00 0.00 H new ATOM 0 H62 DA A 10 -4.328 0.039 2.178 1.00 0.00 H new ATOM 0 H2 DA A 10 -1.654 -3.252 5.305 1.00 0.00 H new ATOM 321 P DG A 11 0.818 -8.867 -0.575 1.00 0.00 P ATOM 322 OP1 DG A 11 -0.391 -9.657 -0.895 1.00 0.00 O ATOM 323 OP2 DG A 11 2.001 -9.534 0.008 1.00 0.00 O ATOM 324 O5' DG A 11 1.287 -8.098 -1.917 1.00 0.00 O ATOM 325 C5' DG A 11 2.548 -7.416 -1.987 1.00 0.00 C ATOM 326 C4' DG A 11 2.822 -6.894 -3.399 1.00 0.00 C ATOM 327 O4' DG A 11 1.741 -6.046 -3.852 1.00 0.00 O ATOM 328 C3' DG A 11 4.110 -6.070 -3.452 1.00 0.00 C ATOM 329 O3' DG A 11 5.000 -6.588 -4.459 1.00 0.00 O ATOM 330 C2' DG A 11 3.665 -4.669 -3.777 1.00 0.00 C ATOM 331 C1' DG A 11 2.278 -4.809 -4.353 1.00 0.00 C ATOM 332 N9 DG A 11 1.420 -3.665 -4.007 1.00 0.00 N ATOM 333 C8 DG A 11 0.588 -2.982 -4.810 1.00 0.00 C ATOM 334 N7 DG A 11 -0.074 -1.996 -4.302 1.00 0.00 N ATOM 335 C5 DG A 11 0.372 -2.016 -2.979 1.00 0.00 C ATOM 336 C6 DG A 11 0.018 -1.176 -1.892 1.00 0.00 C ATOM 337 O6 DG A 11 -0.762 -0.230 -1.888 1.00 0.00 O ATOM 338 N1 DG A 11 0.687 -1.536 -0.730 1.00 0.00 N ATOM 339 C2 DG A 11 1.592 -2.578 -0.627 1.00 0.00 C ATOM 340 N2 DG A 11 2.114 -2.799 0.575 1.00 0.00 N ATOM 341 N3 DG A 11 1.934 -3.370 -1.648 1.00 0.00 N ATOM 342 C4 DG A 11 1.290 -3.039 -2.788 1.00 0.00 C ATOM 0 H5' DG A 11 3.347 -8.094 -1.686 1.00 0.00 H new ATOM 0 H5'' DG A 11 2.553 -6.584 -1.282 1.00 0.00 H new ATOM 0 H4' DG A 11 2.916 -7.769 -4.041 1.00 0.00 H new ATOM 0 H3' DG A 11 4.664 -6.105 -2.514 1.00 0.00 H new ATOM 0 H2' DG A 11 3.658 -4.043 -2.885 1.00 0.00 H new ATOM 0 H2'' DG A 11 4.341 -4.199 -4.491 1.00 0.00 H new ATOM 0 H1' DG A 11 2.320 -4.821 -5.442 1.00 0.00 H new ATOM 0 H8 DG A 11 0.476 -3.249 -5.850 1.00 0.00 H new ATOM 0 H1 DG A 11 0.497 -0.991 0.111 1.00 0.00 H new ATOM 0 H21 DG A 11 2.786 -3.554 0.708 1.00 0.00 H new ATOM 0 H22 DG A 11 1.842 -2.213 1.365 1.00 0.00 H new ATOM 354 P DG A 12 6.285 -5.750 -4.968 1.00 0.00 P ATOM 355 OP1 DG A 12 7.051 -6.601 -5.906 1.00 0.00 O ATOM 356 OP2 DG A 12 6.951 -5.166 -3.784 1.00 0.00 O ATOM 357 O5' DG A 12 5.609 -4.555 -5.800 1.00 0.00 O ATOM 358 C5' DG A 12 4.788 -4.827 -6.940 1.00 0.00 C ATOM 359 C4' DG A 12 4.262 -3.535 -7.545 1.00 0.00 C ATOM 360 O4' DG A 12 3.385 -2.851 -6.625 1.00 0.00 O ATOM 361 C3' DG A 12 5.418 -2.609 -7.865 1.00 0.00 C ATOM 362 O3' DG A 12 5.479 -2.330 -9.265 1.00 0.00 O ATOM 363 C2' DG A 12 5.159 -1.358 -7.087 1.00 0.00 C ATOM 364 C1' DG A 12 3.722 -1.457 -6.616 1.00 0.00 C ATOM 365 N9 DG A 12 3.531 -0.864 -5.275 1.00 0.00 N ATOM 366 C8 DG A 12 4.233 -1.047 -4.127 1.00 0.00 C ATOM 367 N7 DG A 12 3.859 -0.382 -3.082 1.00 0.00 N ATOM 368 C5 DG A 12 2.771 0.339 -3.581 1.00 0.00 C ATOM 369 C6 DG A 12 1.918 1.268 -2.928 1.00 0.00 C ATOM 370 O6 DG A 12 1.950 1.634 -1.758 1.00 0.00 O ATOM 371 N1 DG A 12 0.952 1.768 -3.790 1.00 0.00 N ATOM 372 C2 DG A 12 0.816 1.418 -5.120 1.00 0.00 C ATOM 373 N2 DG A 12 -0.169 2.012 -5.800 1.00 0.00 N ATOM 374 N3 DG A 12 1.613 0.544 -5.740 1.00 0.00 N ATOM 375 C4 DG A 12 2.564 0.047 -4.922 1.00 0.00 C ATOM 0 H5' DG A 12 3.953 -5.464 -6.649 1.00 0.00 H new ATOM 0 H5'' DG A 12 5.363 -5.376 -7.686 1.00 0.00 H new ATOM 0 H4' DG A 12 3.712 -3.793 -8.450 1.00 0.00 H new ATOM 0 H3' DG A 12 6.374 -3.059 -7.599 1.00 0.00 H new ATOM 0 H2' DG A 12 5.843 -1.274 -6.242 1.00 0.00 H new ATOM 0 H2'' DG A 12 5.308 -0.474 -7.707 1.00 0.00 H new ATOM 0 HO3' DG A 12 6.232 -1.729 -9.446 1.00 0.00 H new ATOM 0 H1' DG A 12 3.067 -0.890 -7.277 1.00 0.00 H new ATOM 0 H8 DG A 12 5.074 -1.724 -4.088 1.00 0.00 H new ATOM 0 H1 DG A 12 0.291 2.447 -3.412 1.00 0.00 H new ATOM 0 H21 DG A 12 -0.314 1.791 -6.785 1.00 0.00 H new ATOM 0 H22 DG A 12 -0.775 2.687 -5.334 1.00 0.00 H new TER 388 DG A 12 ATOM 389 O5' DA B 1 -11.859 -1.777 5.201 1.00 0.00 O ATOM 390 C5' DA B 1 -12.352 -1.927 6.536 1.00 0.00 C ATOM 391 C4' DA B 1 -11.227 -2.305 7.521 1.00 0.00 C ATOM 392 O4' DA B 1 -10.723 -3.640 7.256 1.00 0.00 O ATOM 393 C3' DA B 1 -10.054 -1.336 7.406 1.00 0.00 C ATOM 394 O3' DA B 1 -9.721 -0.800 8.694 1.00 0.00 O ATOM 395 C2' DA B 1 -8.910 -2.148 6.845 1.00 0.00 C ATOM 396 C1' DA B 1 -9.295 -3.598 7.027 1.00 0.00 C ATOM 397 N9 DA B 1 -8.918 -4.389 5.850 1.00 0.00 N ATOM 398 C8 DA B 1 -7.787 -5.084 5.642 1.00 0.00 C ATOM 399 N7 DA B 1 -7.658 -5.702 4.516 1.00 0.00 N ATOM 400 C5 DA B 1 -8.864 -5.380 3.886 1.00 0.00 C ATOM 401 C6 DA B 1 -9.396 -5.712 2.638 1.00 0.00 C ATOM 402 N6 DA B 1 -8.757 -6.481 1.757 1.00 0.00 N ATOM 403 N1 DA B 1 -10.613 -5.226 2.334 1.00 0.00 N ATOM 404 C2 DA B 1 -11.268 -4.458 3.206 1.00 0.00 C ATOM 405 N3 DA B 1 -10.859 -4.081 4.412 1.00 0.00 N ATOM 406 C4 DA B 1 -9.640 -4.580 4.693 1.00 0.00 C ATOM 0 H5' DA B 1 -13.125 -2.695 6.554 1.00 0.00 H new ATOM 0 H5'' DA B 1 -12.820 -0.997 6.858 1.00 0.00 H new ATOM 0 H4' DA B 1 -11.658 -2.261 8.521 1.00 0.00 H new ATOM 0 H3' DA B 1 -10.289 -0.486 6.765 1.00 0.00 H new ATOM 0 H2' DA B 1 -8.748 -1.917 5.792 1.00 0.00 H new ATOM 0 H2'' DA B 1 -7.980 -1.923 7.367 1.00 0.00 H new ATOM 0 HO5' DA B 1 -11.915 -2.636 4.733 1.00 0.00 H new ATOM 0 H1' DA B 1 -8.767 -4.033 7.876 1.00 0.00 H new ATOM 0 H8 DA B 1 -7.011 -5.124 6.392 1.00 0.00 H new ATOM 0 H61 DA B 1 -9.189 -6.694 0.858 1.00 0.00 H new ATOM 0 H62 DA B 1 -7.836 -6.856 1.982 1.00 0.00 H new ATOM 0 H2 DA B 1 -12.240 -4.103 2.897 1.00 0.00 H new ATOM 419 P DA B 2 -8.603 0.351 8.848 1.00 0.00 P ATOM 420 OP1 DA B 2 -8.682 0.897 10.221 1.00 0.00 O ATOM 421 OP2 DA B 2 -8.717 1.265 7.688 1.00 0.00 O ATOM 422 O5' DA B 2 -7.232 -0.470 8.709 1.00 0.00 O ATOM 423 C5' DA B 2 -6.809 -1.378 9.731 1.00 0.00 C ATOM 424 C4' DA B 2 -5.534 -2.102 9.311 1.00 0.00 C ATOM 425 O4' DA B 2 -5.775 -2.915 8.142 1.00 0.00 O ATOM 426 C3' DA B 2 -4.410 -1.116 8.970 1.00 0.00 C ATOM 427 O3' DA B 2 -3.338 -1.218 9.915 1.00 0.00 O ATOM 428 C2' DA B 2 -3.947 -1.488 7.586 1.00 0.00 C ATOM 429 C1' DA B 2 -4.704 -2.742 7.196 1.00 0.00 C ATOM 430 N9 DA B 2 -5.221 -2.649 5.819 1.00 0.00 N ATOM 431 C8 DA B 2 -5.963 -1.680 5.228 1.00 0.00 C ATOM 432 N7 DA B 2 -6.305 -1.858 3.998 1.00 0.00 N ATOM 433 C5 DA B 2 -5.717 -3.101 3.722 1.00 0.00 C ATOM 434 C6 DA B 2 -5.680 -3.904 2.576 1.00 0.00 C ATOM 435 N6 DA B 2 -6.277 -3.574 1.436 1.00 0.00 N ATOM 436 N1 DA B 2 -5.004 -5.065 2.652 1.00 0.00 N ATOM 437 C2 DA B 2 -4.402 -5.418 3.788 1.00 0.00 C ATOM 438 N3 DA B 2 -4.376 -4.739 4.929 1.00 0.00 N ATOM 439 C4 DA B 2 -5.057 -3.582 4.827 1.00 0.00 C ATOM 0 H5' DA B 2 -7.598 -2.104 9.929 1.00 0.00 H new ATOM 0 H5'' DA B 2 -6.636 -0.834 10.660 1.00 0.00 H new ATOM 0 H4' DA B 2 -5.233 -2.721 10.156 1.00 0.00 H new ATOM 0 H3' DA B 2 -4.757 -0.083 9.010 1.00 0.00 H new ATOM 0 H2' DA B 2 -4.146 -0.681 6.881 1.00 0.00 H new ATOM 0 H2'' DA B 2 -2.872 -1.665 7.572 1.00 0.00 H new ATOM 0 H1' DA B 2 -4.037 -3.604 7.218 1.00 0.00 H new ATOM 0 H8 DA B 2 -6.257 -0.792 5.768 1.00 0.00 H new ATOM 0 H61 DA B 2 -6.218 -4.197 0.630 1.00 0.00 H new ATOM 0 H62 DA B 2 -6.794 -2.698 1.366 1.00 0.00 H new ATOM 0 H2 DA B 2 -3.877 -6.362 3.779 1.00 0.00 H new ATOM 451 P DG B 3 -2.431 0.069 10.264 1.00 0.00 P ATOM 452 OP1 DG B 3 -2.574 0.360 11.708 1.00 0.00 O ATOM 453 OP2 DG B 3 -2.714 1.124 9.266 1.00 0.00 O ATOM 454 O5' DG B 3 -0.939 -0.472 10.006 1.00 0.00 O ATOM 455 C5' DG B 3 -0.610 -1.135 8.783 1.00 0.00 C ATOM 456 C4' DG B 3 0.887 -1.282 8.601 1.00 0.00 C ATOM 457 O4' DG B 3 1.188 -1.914 7.333 1.00 0.00 O ATOM 458 C3' DG B 3 1.542 0.086 8.623 1.00 0.00 C ATOM 459 O3' DG B 3 2.634 0.117 9.552 1.00 0.00 O ATOM 460 C2' DG B 3 2.009 0.313 7.209 1.00 0.00 C ATOM 461 C1' DG B 3 2.043 -1.056 6.555 1.00 0.00 C ATOM 462 N9 DG B 3 1.611 -0.991 5.151 1.00 0.00 N ATOM 463 C8 DG B 3 2.174 -1.575 4.071 1.00 0.00 C ATOM 464 N7 DG B 3 1.665 -1.316 2.915 1.00 0.00 N ATOM 465 C5 DG B 3 0.621 -0.451 3.253 1.00 0.00 C ATOM 466 C6 DG B 3 -0.325 0.194 2.420 1.00 0.00 C ATOM 467 O6 DG B 3 -0.423 0.132 1.198 1.00 0.00 O ATOM 468 N1 DG B 3 -1.203 0.978 3.151 1.00 0.00 N ATOM 469 C2 DG B 3 -1.180 1.125 4.525 1.00 0.00 C ATOM 470 N2 DG B 3 -2.121 1.907 5.057 1.00 0.00 N ATOM 471 N3 DG B 3 -0.289 0.521 5.321 1.00 0.00 N ATOM 472 C4 DG B 3 0.578 -0.248 4.624 1.00 0.00 C ATOM 0 H5' DG B 3 -1.024 -0.575 7.944 1.00 0.00 H new ATOM 0 H5'' DG B 3 -1.075 -2.121 8.769 1.00 0.00 H new ATOM 0 H4' DG B 3 1.269 -1.899 9.414 1.00 0.00 H new ATOM 0 H3' DG B 3 0.857 0.868 8.950 1.00 0.00 H new ATOM 0 H2' DG B 3 1.333 0.983 6.678 1.00 0.00 H new ATOM 0 H2'' DG B 3 2.995 0.777 7.194 1.00 0.00 H new ATOM 0 H1' DG B 3 3.060 -1.447 6.537 1.00 0.00 H new ATOM 0 H8 DG B 3 3.022 -2.236 4.172 1.00 0.00 H new ATOM 0 H1 DG B 3 -1.922 1.486 2.635 1.00 0.00 H new ATOM 0 H21 DG B 3 -2.153 2.052 6.066 1.00 0.00 H new ATOM 0 H22 DG B 3 -2.808 2.360 4.455 1.00 0.00 H new ATOM 484 P DG B 4 3.687 1.337 9.556 1.00 0.00 P ATOM 485 OP1 DG B 4 4.374 1.349 10.866 1.00 0.00 O ATOM 486 OP2 DG B 4 2.994 2.556 9.071 1.00 0.00 O ATOM 487 O5' DG B 4 4.739 0.871 8.439 1.00 0.00 O ATOM 488 C5' DG B 4 5.248 -0.465 8.446 1.00 0.00 C ATOM 489 C4' DG B 4 5.890 -0.810 7.116 1.00 0.00 C ATOM 490 O4' DG B 4 4.947 -0.682 6.040 1.00 0.00 O ATOM 491 C3' DG B 4 7.048 0.129 6.830 1.00 0.00 C ATOM 492 O3' DG B 4 8.305 -0.526 7.018 1.00 0.00 O ATOM 493 C2' DG B 4 6.862 0.561 5.400 1.00 0.00 C ATOM 494 C1' DG B 4 5.629 -0.160 4.894 1.00 0.00 C ATOM 495 N9 DG B 4 4.763 0.758 4.140 1.00 0.00 N ATOM 496 C8 DG B 4 4.134 1.873 4.563 1.00 0.00 C ATOM 497 N7 DG B 4 3.418 2.520 3.706 1.00 0.00 N ATOM 498 C5 DG B 4 3.586 1.746 2.557 1.00 0.00 C ATOM 499 C6 DG B 4 3.054 1.924 1.254 1.00 0.00 C ATOM 500 O6 DG B 4 2.307 2.814 0.850 1.00 0.00 O ATOM 501 N1 DG B 4 3.478 0.921 0.394 1.00 0.00 N ATOM 502 C2 DG B 4 4.307 -0.128 0.741 1.00 0.00 C ATOM 503 N2 DG B 4 4.616 -0.989 -0.231 1.00 0.00 N ATOM 504 N3 DG B 4 4.806 -0.302 1.967 1.00 0.00 N ATOM 505 C4 DG B 4 4.411 0.663 2.819 1.00 0.00 C ATOM 0 H5' DG B 4 4.439 -1.165 8.656 1.00 0.00 H new ATOM 0 H5'' DG B 4 5.980 -0.575 9.246 1.00 0.00 H new ATOM 0 H4' DG B 4 6.239 -1.840 7.183 1.00 0.00 H new ATOM 0 H3' DG B 4 7.056 0.981 7.510 1.00 0.00 H new ATOM 0 H2' DG B 4 6.735 1.642 5.334 1.00 0.00 H new ATOM 0 H2'' DG B 4 7.735 0.305 4.800 1.00 0.00 H new ATOM 0 H1' DG B 4 5.905 -0.966 4.214 1.00 0.00 H new ATOM 0 H8 DG B 4 4.226 2.213 5.584 1.00 0.00 H new ATOM 0 H1 DG B 4 3.151 0.962 -0.571 1.00 0.00 H new ATOM 0 H21 DG B 4 5.224 -1.784 -0.034 1.00 0.00 H new ATOM 0 H22 DG B 4 4.244 -0.852 -1.171 1.00 0.00 H new ATOM 517 P DT B 5 9.681 0.299 6.894 1.00 0.00 P ATOM 518 OP1 DT B 5 10.754 -0.504 7.516 1.00 0.00 O ATOM 519 OP2 DT B 5 9.439 1.685 7.352 1.00 0.00 O ATOM 520 O5' DT B 5 9.920 0.323 5.307 1.00 0.00 O ATOM 521 C5' DT B 5 10.266 -0.882 4.627 1.00 0.00 C ATOM 522 C4' DT B 5 10.378 -0.679 3.128 1.00 0.00 C ATOM 523 O4' DT B 5 9.105 -0.337 2.540 1.00 0.00 O ATOM 524 C3' DT B 5 11.359 0.430 2.797 1.00 0.00 C ATOM 525 O3' DT B 5 12.587 -0.137 2.326 1.00 0.00 O ATOM 526 C2' DT B 5 10.662 1.280 1.739 1.00 0.00 C ATOM 527 C1' DT B 5 9.309 0.623 1.484 1.00 0.00 C ATOM 528 N1 DT B 5 8.228 1.629 1.462 1.00 0.00 N ATOM 529 C2 DT B 5 7.450 1.704 0.319 1.00 0.00 C ATOM 530 O2 DT B 5 7.618 0.958 -0.647 1.00 0.00 O ATOM 531 N3 DT B 5 6.469 2.674 0.326 1.00 0.00 N ATOM 532 C4 DT B 5 6.200 3.558 1.360 1.00 0.00 C ATOM 533 O4 DT B 5 5.303 4.382 1.265 1.00 0.00 O ATOM 534 C5 DT B 5 7.058 3.403 2.505 1.00 0.00 C ATOM 535 C7 DT B 5 6.879 4.326 3.708 1.00 0.00 C ATOM 536 C6 DT B 5 8.022 2.470 2.526 1.00 0.00 C ATOM 0 H5' DT B 5 9.514 -1.643 4.834 1.00 0.00 H new ATOM 0 H5'' DT B 5 11.214 -1.257 5.014 1.00 0.00 H new ATOM 0 H4' DT B 5 10.729 -1.625 2.716 1.00 0.00 H new ATOM 0 H3' DT B 5 11.623 1.041 3.660 1.00 0.00 H new ATOM 0 H2' DT B 5 10.537 2.306 2.085 1.00 0.00 H new ATOM 0 H2'' DT B 5 11.252 1.322 0.824 1.00 0.00 H new ATOM 0 H1' DT B 5 9.294 0.132 0.511 1.00 0.00 H new ATOM 0 H3 DT B 5 5.887 2.748 -0.508 1.00 0.00 H new ATOM 0 H71 DT B 5 6.502 5.292 3.372 1.00 0.00 H new ATOM 0 H72 DT B 5 6.169 3.881 4.405 1.00 0.00 H new ATOM 0 H73 DT B 5 7.838 4.464 4.206 1.00 0.00 H new ATOM 0 H6 DT B 5 8.650 2.379 3.400 1.00 0.00 H new ATOM 549 P DT B 6 13.508 0.611 1.242 1.00 0.00 P ATOM 550 OP1 DT B 6 14.918 0.246 1.503 1.00 0.00 O ATOM 551 OP2 DT B 6 13.114 2.037 1.173 1.00 0.00 O ATOM 552 O5' DT B 6 13.036 -0.118 -0.108 1.00 0.00 O ATOM 553 C5' DT B 6 13.982 -0.490 -1.111 1.00 0.00 C ATOM 554 C4' DT B 6 13.301 -0.590 -2.479 1.00 0.00 C ATOM 555 O4' DT B 6 12.470 -1.784 -2.582 1.00 0.00 O ATOM 556 C3' DT B 6 12.398 0.621 -2.690 1.00 0.00 C ATOM 557 O3' DT B 6 12.767 1.325 -3.879 1.00 0.00 O ATOM 558 C2' DT B 6 11.000 0.070 -2.783 1.00 0.00 C ATOM 559 C1' DT B 6 11.159 -1.419 -3.071 1.00 0.00 C ATOM 560 N1 DT B 6 10.090 -2.191 -2.410 1.00 0.00 N ATOM 561 C2 DT B 6 9.015 -2.565 -3.189 1.00 0.00 C ATOM 562 O2 DT B 6 8.942 -2.279 -4.382 1.00 0.00 O ATOM 563 N3 DT B 6 8.016 -3.270 -2.547 1.00 0.00 N ATOM 564 C4 DT B 6 7.996 -3.626 -1.213 1.00 0.00 C ATOM 565 O4 DT B 6 7.038 -4.243 -0.744 1.00 0.00 O ATOM 566 C5 DT B 6 9.163 -3.194 -0.475 1.00 0.00 C ATOM 567 C7 DT B 6 9.271 -3.512 1.015 1.00 0.00 C ATOM 568 C6 DT B 6 10.156 -2.506 -1.084 1.00 0.00 C ATOM 0 H5' DT B 6 14.437 -1.447 -0.854 1.00 0.00 H new ATOM 0 H5'' DT B 6 14.786 0.245 -1.151 1.00 0.00 H new ATOM 0 H4' DT B 6 14.089 -0.635 -3.231 1.00 0.00 H new ATOM 0 H3' DT B 6 12.483 1.341 -1.876 1.00 0.00 H new ATOM 0 H2' DT B 6 10.453 0.232 -1.854 1.00 0.00 H new ATOM 0 H2'' DT B 6 10.437 0.564 -3.575 1.00 0.00 H new ATOM 0 H1' DT B 6 11.074 -1.638 -4.135 1.00 0.00 H new ATOM 0 H3 DT B 6 7.216 -3.555 -3.112 1.00 0.00 H new ATOM 0 H71 DT B 6 10.320 -3.621 1.289 1.00 0.00 H new ATOM 0 H72 DT B 6 8.827 -2.701 1.593 1.00 0.00 H new ATOM 0 H73 DT B 6 8.742 -4.441 1.228 1.00 0.00 H new ATOM 0 H6 DT B 6 11.018 -2.200 -0.509 1.00 0.00 H new ATOM 581 P DT B 7 13.150 2.890 -3.820 1.00 0.00 P ATOM 582 OP1 DT B 7 14.255 3.136 -4.769 1.00 0.00 O ATOM 583 OP2 DT B 7 13.292 3.285 -2.401 1.00 0.00 O ATOM 584 O5' DT B 7 11.826 3.586 -4.399 1.00 0.00 O ATOM 585 C5' DT B 7 11.145 3.025 -5.523 1.00 0.00 C ATOM 586 C4' DT B 7 9.701 3.516 -5.588 1.00 0.00 C ATOM 587 O4' DT B 7 9.037 3.393 -4.299 1.00 0.00 O ATOM 588 C3' DT B 7 9.687 4.987 -5.973 1.00 0.00 C ATOM 589 O3' DT B 7 8.742 5.230 -7.012 1.00 0.00 O ATOM 590 C2' DT B 7 9.270 5.715 -4.714 1.00 0.00 C ATOM 591 C1' DT B 7 8.523 4.685 -3.894 1.00 0.00 C ATOM 592 N1 DT B 7 8.727 4.904 -2.446 1.00 0.00 N ATOM 593 C2 DT B 7 7.668 5.406 -1.712 1.00 0.00 C ATOM 594 O2 DT B 7 6.592 5.697 -2.224 1.00 0.00 O ATOM 595 N3 DT B 7 7.887 5.571 -0.363 1.00 0.00 N ATOM 596 C4 DT B 7 9.056 5.278 0.313 1.00 0.00 C ATOM 597 O4 DT B 7 9.130 5.439 1.524 1.00 0.00 O ATOM 598 C5 DT B 7 10.112 4.765 -0.530 1.00 0.00 C ATOM 599 C7 DT B 7 11.464 4.415 0.090 1.00 0.00 C ATOM 600 C6 DT B 7 9.922 4.598 -1.855 1.00 0.00 C ATOM 0 H5' DT B 7 11.160 1.937 -5.456 1.00 0.00 H new ATOM 0 H5'' DT B 7 11.667 3.296 -6.441 1.00 0.00 H new ATOM 0 H4' DT B 7 9.178 2.905 -6.323 1.00 0.00 H new ATOM 0 H3' DT B 7 10.657 5.317 -6.345 1.00 0.00 H new ATOM 0 H2' DT B 7 10.136 6.097 -4.174 1.00 0.00 H new ATOM 0 H2'' DT B 7 8.636 6.571 -4.945 1.00 0.00 H new ATOM 0 H1' DT B 7 7.449 4.754 -4.066 1.00 0.00 H new ATOM 0 H3 DT B 7 7.115 5.944 0.189 1.00 0.00 H new ATOM 0 H71 DT B 7 11.925 3.605 -0.475 1.00 0.00 H new ATOM 0 H72 DT B 7 12.113 5.290 0.065 1.00 0.00 H new ATOM 0 H73 DT B 7 11.320 4.100 1.123 1.00 0.00 H new ATOM 0 H6 DT B 7 10.730 4.215 -2.461 1.00 0.00 H new ATOM 613 P DT B 8 8.837 4.506 -8.448 1.00 0.00 P ATOM 614 OP1 DT B 8 8.661 3.047 -8.262 1.00 0.00 O ATOM 615 OP2 DT B 8 10.016 5.030 -9.166 1.00 0.00 O ATOM 616 O5' DT B 8 7.523 5.095 -9.157 1.00 0.00 O ATOM 617 C5' DT B 8 6.690 6.019 -8.442 1.00 0.00 C ATOM 618 C4' DT B 8 5.603 6.598 -9.327 1.00 0.00 C ATOM 619 O4' DT B 8 6.179 7.441 -10.353 1.00 0.00 O ATOM 620 C3' DT B 8 4.814 5.490 -10.008 1.00 0.00 C ATOM 621 O3' DT B 8 3.417 5.677 -9.798 1.00 0.00 O ATOM 622 C2' DT B 8 5.144 5.602 -11.480 1.00 0.00 C ATOM 623 C1' DT B 8 5.773 6.981 -11.658 1.00 0.00 C ATOM 624 N1 DT B 8 6.920 6.945 -12.598 1.00 0.00 N ATOM 625 C2 DT B 8 6.835 7.744 -13.727 1.00 0.00 C ATOM 626 O2 DT B 8 5.858 8.455 -13.957 1.00 0.00 O ATOM 627 N3 DT B 8 7.914 7.701 -14.586 1.00 0.00 N ATOM 628 C4 DT B 8 9.057 6.943 -14.422 1.00 0.00 C ATOM 629 O4 DT B 8 9.958 6.983 -15.257 1.00 0.00 O ATOM 630 C5 DT B 8 9.063 6.142 -13.220 1.00 0.00 C ATOM 631 C7 DT B 8 10.266 5.253 -12.913 1.00 0.00 C ATOM 632 C6 DT B 8 8.025 6.162 -12.363 1.00 0.00 C ATOM 0 H5' DT B 8 7.303 6.827 -8.043 1.00 0.00 H new ATOM 0 H5'' DT B 8 6.235 5.514 -7.590 1.00 0.00 H new ATOM 0 H4' DT B 8 4.941 7.184 -8.690 1.00 0.00 H new ATOM 0 H3' DT B 8 5.070 4.508 -9.610 1.00 0.00 H new ATOM 0 H2' DT B 8 5.832 4.815 -11.788 1.00 0.00 H new ATOM 0 H2'' DT B 8 4.247 5.499 -12.091 1.00 0.00 H new ATOM 0 H1' DT B 8 5.048 7.668 -12.095 1.00 0.00 H new ATOM 0 H3 DT B 8 7.863 8.284 -15.421 1.00 0.00 H new ATOM 0 H71 DT B 8 10.380 5.154 -11.833 1.00 0.00 H new ATOM 0 H72 DT B 8 10.112 4.268 -13.353 1.00 0.00 H new ATOM 0 H73 DT B 8 11.166 5.701 -13.333 1.00 0.00 H new ATOM 0 H6 DT B 8 8.061 5.551 -11.473 1.00 0.00 H new ATOM 645 P DA B 9 2.382 4.484 -10.076 1.00 0.00 P ATOM 646 OP1 DA B 9 3.137 3.211 -10.143 1.00 0.00 O ATOM 647 OP2 DA B 9 1.507 4.883 -11.198 1.00 0.00 O ATOM 648 O5' DA B 9 1.511 4.481 -8.722 1.00 0.00 O ATOM 649 C5' DA B 9 2.005 3.823 -7.547 1.00 0.00 C ATOM 650 C4' DA B 9 1.863 4.696 -6.295 1.00 0.00 C ATOM 651 O4' DA B 9 2.270 3.971 -5.112 1.00 0.00 O ATOM 652 C3' DA B 9 2.724 5.955 -6.387 1.00 0.00 C ATOM 653 O3' DA B 9 1.918 7.116 -6.129 1.00 0.00 O ATOM 654 C2' DA B 9 3.794 5.793 -5.329 1.00 0.00 C ATOM 655 C1' DA B 9 3.283 4.711 -4.398 1.00 0.00 C ATOM 656 N9 DA B 9 4.363 3.822 -3.946 1.00 0.00 N ATOM 657 C8 DA B 9 4.743 3.560 -2.686 1.00 0.00 C ATOM 658 N7 DA B 9 5.691 2.709 -2.504 1.00 0.00 N ATOM 659 C5 DA B 9 5.996 2.348 -3.821 1.00 0.00 C ATOM 660 C6 DA B 9 6.932 1.463 -4.365 1.00 0.00 C ATOM 661 N6 DA B 9 7.751 0.729 -3.614 1.00 0.00 N ATOM 662 N1 DA B 9 6.974 1.349 -5.706 1.00 0.00 N ATOM 663 C2 DA B 9 6.141 2.066 -6.471 1.00 0.00 C ATOM 664 N3 DA B 9 5.211 2.928 -6.057 1.00 0.00 N ATOM 665 C4 DA B 9 5.194 3.024 -4.711 1.00 0.00 C ATOM 0 H5' DA B 9 3.054 3.564 -7.691 1.00 0.00 H new ATOM 0 H5'' DA B 9 1.463 2.889 -7.400 1.00 0.00 H new ATOM 0 H4' DA B 9 0.811 4.973 -6.229 1.00 0.00 H new ATOM 0 H3' DA B 9 3.164 6.084 -7.376 1.00 0.00 H new ATOM 0 H2' DA B 9 4.747 5.509 -5.775 1.00 0.00 H new ATOM 0 H2'' DA B 9 3.959 6.727 -4.792 1.00 0.00 H new ATOM 0 H1' DA B 9 2.868 5.164 -3.498 1.00 0.00 H new ATOM 0 H8 DA B 9 4.267 4.049 -1.849 1.00 0.00 H new ATOM 0 H61 DA B 9 8.418 0.096 -4.056 1.00 0.00 H new ATOM 0 H62 DA B 9 7.711 0.800 -2.597 1.00 0.00 H new ATOM 0 H2 DA B 9 6.232 1.932 -7.539 1.00 0.00 H new ATOM 677 P DA B 10 2.394 8.585 -6.591 1.00 0.00 P ATOM 678 OP1 DA B 10 2.530 8.581 -8.066 1.00 0.00 O ATOM 679 OP2 DA B 10 3.549 8.969 -5.746 1.00 0.00 O ATOM 680 O5' DA B 10 1.150 9.526 -6.204 1.00 0.00 O ATOM 681 C5' DA B 10 -0.197 9.121 -6.463 1.00 0.00 C ATOM 682 C4' DA B 10 -1.067 9.272 -5.184 1.00 0.00 C ATOM 683 O4' DA B 10 -0.900 8.145 -4.293 1.00 0.00 O ATOM 684 C3' DA B 10 -0.707 10.539 -4.386 1.00 0.00 C ATOM 685 O3' DA B 10 -1.855 11.383 -4.242 1.00 0.00 O ATOM 686 C2' DA B 10 -0.231 10.050 -3.032 1.00 0.00 C ATOM 687 C1' DA B 10 -0.651 8.607 -2.942 1.00 0.00 C ATOM 688 N9 DA B 10 0.390 7.790 -2.326 1.00 0.00 N ATOM 689 C8 DA B 10 0.902 6.640 -2.771 1.00 0.00 C ATOM 690 N7 DA B 10 1.802 6.064 -2.060 1.00 0.00 N ATOM 691 C5 DA B 10 1.911 6.950 -0.990 1.00 0.00 C ATOM 692 C6 DA B 10 2.702 6.941 0.148 1.00 0.00 C ATOM 693 N6 DA B 10 3.557 5.967 0.404 1.00 0.00 N ATOM 694 N1 DA B 10 2.569 7.965 1.006 1.00 0.00 N ATOM 695 C2 DA B 10 1.696 8.946 0.750 1.00 0.00 C ATOM 696 N3 DA B 10 0.891 9.052 -0.303 1.00 0.00 N ATOM 697 C4 DA B 10 1.051 8.010 -1.142 1.00 0.00 C ATOM 0 H5' DA B 10 -0.213 8.085 -6.800 1.00 0.00 H new ATOM 0 H5'' DA B 10 -0.616 9.725 -7.268 1.00 0.00 H new ATOM 0 H4' DA B 10 -2.097 9.333 -5.537 1.00 0.00 H new ATOM 0 H3' DA B 10 0.058 11.129 -4.890 1.00 0.00 H new ATOM 0 H2' DA B 10 0.851 10.148 -2.940 1.00 0.00 H new ATOM 0 H2'' DA B 10 -0.674 10.637 -2.227 1.00 0.00 H new ATOM 0 H1' DA B 10 -1.543 8.520 -2.322 1.00 0.00 H new ATOM 0 H8 DA B 10 0.568 6.207 -3.702 1.00 0.00 H new ATOM 0 H61 DA B 10 4.123 5.995 1.252 1.00 0.00 H new ATOM 0 H62 DA B 10 3.651 5.187 -0.247 1.00 0.00 H new ATOM 0 H2 DA B 10 1.639 9.740 1.480 1.00 0.00 H new ATOM 709 P DG B 11 -2.591 12.002 -5.536 1.00 0.00 P ATOM 710 OP1 DG B 11 -1.554 12.462 -6.485 1.00 0.00 O ATOM 711 OP2 DG B 11 -3.631 12.942 -5.067 1.00 0.00 O ATOM 712 O5' DG B 11 -3.330 10.716 -6.179 1.00 0.00 O ATOM 713 C5' DG B 11 -4.521 10.169 -5.594 1.00 0.00 C ATOM 714 C4' DG B 11 -5.106 9.052 -6.464 1.00 0.00 C ATOM 715 O4' DG B 11 -4.120 8.023 -6.710 1.00 0.00 O ATOM 716 C3' DG B 11 -6.309 8.390 -5.791 1.00 0.00 C ATOM 717 O3' DG B 11 -7.455 8.420 -6.663 1.00 0.00 O ATOM 718 C2' DG B 11 -5.868 6.979 -5.506 1.00 0.00 C ATOM 719 C1' DG B 11 -4.684 6.735 -6.405 1.00 0.00 C ATOM 720 N9 DG B 11 -3.693 5.843 -5.782 1.00 0.00 N ATOM 721 C8 DG B 11 -3.047 4.807 -6.339 1.00 0.00 C ATOM 722 N7 DG B 11 -2.216 4.143 -5.605 1.00 0.00 N ATOM 723 C5 DG B 11 -2.316 4.823 -4.389 1.00 0.00 C ATOM 724 C6 DG B 11 -1.647 4.585 -3.162 1.00 0.00 C ATOM 725 O6 DG B 11 -0.831 3.708 -2.901 1.00 0.00 O ATOM 726 N1 DG B 11 -2.025 5.499 -2.189 1.00 0.00 N ATOM 727 C2 DG B 11 -2.940 6.521 -2.374 1.00 0.00 C ATOM 728 N2 DG B 11 -3.157 7.323 -1.338 1.00 0.00 N ATOM 729 N3 DG B 11 -3.579 6.748 -3.526 1.00 0.00 N ATOM 730 C4 DG B 11 -3.221 5.870 -4.488 1.00 0.00 C ATOM 0 H5' DG B 11 -5.261 10.959 -5.466 1.00 0.00 H new ATOM 0 H5'' DG B 11 -4.295 9.779 -4.601 1.00 0.00 H new ATOM 0 H4' DG B 11 -5.416 9.516 -7.400 1.00 0.00 H new ATOM 0 H3' DG B 11 -6.611 8.905 -4.879 1.00 0.00 H new ATOM 0 H2' DG B 11 -5.596 6.858 -4.458 1.00 0.00 H new ATOM 0 H2'' DG B 11 -6.669 6.269 -5.711 1.00 0.00 H new ATOM 0 H1' DG B 11 -4.999 6.226 -7.316 1.00 0.00 H new ATOM 0 H8 DG B 11 -3.217 4.536 -7.371 1.00 0.00 H new ATOM 0 H1 DG B 11 -1.596 5.411 -1.268 1.00 0.00 H new ATOM 0 H21 DG B 11 -3.821 8.093 -1.419 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.659 7.169 -0.461 1.00 0.00 H new ATOM 742 P DG B 12 -8.769 7.527 -6.368 1.00 0.00 P ATOM 743 OP1 DG B 12 -9.800 7.872 -7.373 1.00 0.00 O ATOM 744 OP2 DG B 12 -9.078 7.625 -4.926 1.00 0.00 O ATOM 745 O5' DG B 12 -8.246 6.038 -6.665 1.00 0.00 O ATOM 746 C5' DG B 12 -7.758 5.677 -7.960 1.00 0.00 C ATOM 747 C4' DG B 12 -7.318 4.220 -7.983 1.00 0.00 C ATOM 748 O4' DG B 12 -6.194 4.005 -7.101 1.00 0.00 O ATOM 749 C3' DG B 12 -8.454 3.333 -7.518 1.00 0.00 C ATOM 750 O3' DG B 12 -8.849 2.423 -8.545 1.00 0.00 O ATOM 751 C2' DG B 12 -7.925 2.591 -6.331 1.00 0.00 C ATOM 752 C1' DG B 12 -6.426 2.812 -6.342 1.00 0.00 C ATOM 753 N9 DG B 12 -5.867 2.921 -4.978 1.00 0.00 N ATOM 754 C8 DG B 12 -6.270 3.677 -3.924 1.00 0.00 C ATOM 755 N7 DG B 12 -5.603 3.571 -2.820 1.00 0.00 N ATOM 756 C5 DG B 12 -4.631 2.629 -3.167 1.00 0.00 C ATOM 757 C6 DG B 12 -3.582 2.073 -2.387 1.00 0.00 C ATOM 758 O6 DG B 12 -3.295 2.315 -1.220 1.00 0.00 O ATOM 759 N1 DG B 12 -2.833 1.159 -3.115 1.00 0.00 N ATOM 760 C2 DG B 12 -3.057 0.820 -4.436 1.00 0.00 C ATOM 761 N2 DG B 12 -2.238 -0.090 -4.970 1.00 0.00 N ATOM 762 N3 DG B 12 -4.039 1.341 -5.177 1.00 0.00 N ATOM 763 C4 DG B 12 -4.786 2.230 -4.487 1.00 0.00 C ATOM 0 H5' DG B 12 -6.920 6.319 -8.230 1.00 0.00 H new ATOM 0 H5'' DG B 12 -8.537 5.839 -8.705 1.00 0.00 H new ATOM 0 H4' DG B 12 -7.031 3.976 -9.006 1.00 0.00 H new ATOM 0 H3' DG B 12 -9.339 3.919 -7.269 1.00 0.00 H new ATOM 0 H2' DG B 12 -8.369 2.963 -5.407 1.00 0.00 H new ATOM 0 H2'' DG B 12 -8.164 1.530 -6.395 1.00 0.00 H new ATOM 0 HO3' DG B 12 -9.582 1.861 -8.219 1.00 0.00 H new ATOM 0 H1' DG B 12 -5.921 1.957 -6.792 1.00 0.00 H new ATOM 0 H8 DG B 12 -7.117 4.343 -4.004 1.00 0.00 H new ATOM 0 H1 DG B 12 -2.056 0.702 -2.638 1.00 0.00 H new ATOM 0 H21 DG B 12 -2.358 -0.377 -5.941 1.00 0.00 H new ATOM 0 H22 DG B 12 -1.492 -0.498 -4.406 1.00 0.00 H new TER 776 DG B 12