USER MOD reduce.3.24.130724 H: found=0, std=0, add=261, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 263 hydrogens (81 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: B 21 DAGHN41 : B 21 DAG N4 : B 22 TMR O1 :(H bumps) USER MOD NoAdj-H: A 25 DPA H1 : A 25 DPA C1 : B 24 DLF O3 :(H bumps) USER MOD NoAdj-H: B 26 MTC H92 : B 26 MTC C9 : B 24 DLF O1 :(H bumps) USER MOD NoAdj-H: B 26 MTC H12 : B 26 MTC C1 : B 21 DAG O1 :(H bumps) USER MOD Single : A 1 DC O5' : rot -23:sc= 0.00469 USER MOD Single : A 5 DT C7 :methyl -30:sc= -0.599 (180deg=-3.23!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 11 DC O5' : rot 180:sc= 0 USER MOD Single : B 15 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 18 DG O3' : rot 180:sc= 0 USER MOD Single : B 21 DAG O3 : rot 110:sc= 0 USER MOD Single : B 22 TMR C7 :methyl 167:sc= 0 (180deg=-0.0603) USER MOD Single : B 22 TMR O3 : rot 125:sc= 0.529 USER MOD Single : B 24 DLF O4 : rot 103:sc= 0.959 USER MOD Single : B 26 MTC C16 :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 26 MTC O8 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 1.072 -2.964 -19.816 1.00 0.00 O ATOM 2 C5' DC A 1 1.745 -3.383 -18.621 1.00 0.00 C ATOM 3 C4' DC A 1 1.651 -2.319 -17.497 1.00 0.00 C ATOM 4 O4' DC A 1 0.272 -1.874 -17.275 1.00 0.00 O ATOM 5 C3' DC A 1 2.117 -2.818 -16.129 1.00 0.00 C ATOM 6 O3' DC A 1 3.517 -2.552 -15.894 1.00 0.00 O ATOM 7 C2' DC A 1 1.235 -2.058 -15.110 1.00 0.00 C ATOM 8 C1' DC A 1 0.168 -1.362 -15.937 1.00 0.00 C ATOM 9 N1 DC A 1 -1.228 -1.368 -15.400 1.00 0.00 N ATOM 10 C2 DC A 1 -1.803 -0.223 -14.755 1.00 0.00 C ATOM 11 O2 DC A 1 -1.140 0.785 -14.447 1.00 0.00 O ATOM 12 N3 DC A 1 -3.149 -0.216 -14.464 1.00 0.00 N ATOM 13 C4 DC A 1 -3.914 -1.275 -14.784 1.00 0.00 C ATOM 14 N4 DC A 1 -5.238 -1.255 -14.556 1.00 0.00 N ATOM 15 C5 DC A 1 -3.336 -2.437 -15.382 1.00 0.00 C ATOM 16 C6 DC A 1 -2.024 -2.410 -15.682 1.00 0.00 C ATOM 0 H5' DC A 1 2.793 -3.581 -18.846 1.00 0.00 H new ATOM 0 H5'' DC A 1 1.312 -4.320 -18.270 1.00 0.00 H new ATOM 0 H4' DC A 1 2.299 -1.521 -17.859 1.00 0.00 H new ATOM 0 H3' DC A 1 2.015 -3.900 -16.050 1.00 0.00 H new ATOM 0 H2' DC A 1 0.788 -2.743 -14.390 1.00 0.00 H new ATOM 0 H2'' DC A 1 1.824 -1.337 -14.542 1.00 0.00 H new ATOM 0 HO5' DC A 1 0.397 -2.290 -19.592 1.00 0.00 H new ATOM 0 H1' DC A 1 0.375 -0.292 -15.900 1.00 0.00 H new ATOM 0 H41 DC A 1 -5.810 -2.063 -14.802 1.00 0.00 H new ATOM 0 H42 DC A 1 -5.671 -0.432 -14.137 1.00 0.00 H new ATOM 0 H5 DC A 1 -3.935 -3.312 -15.587 1.00 0.00 H new ATOM 0 H6 DC A 1 -1.591 -3.269 -16.174 1.00 0.00 H new ATOM 29 P DG A 2 4.806 -3.490 -15.876 1.00 0.00 P ATOM 30 OP1 DG A 2 5.465 -3.394 -17.197 1.00 0.00 O ATOM 31 OP2 DG A 2 4.434 -4.868 -15.450 1.00 0.00 O ATOM 32 O5' DG A 2 5.745 -2.816 -14.742 1.00 0.00 O ATOM 33 C5' DG A 2 5.864 -3.157 -13.336 1.00 0.00 C ATOM 34 C4' DG A 2 5.396 -2.041 -12.356 1.00 0.00 C ATOM 35 O4' DG A 2 4.036 -1.608 -12.652 1.00 0.00 O ATOM 36 C3' DG A 2 5.301 -2.569 -10.924 1.00 0.00 C ATOM 37 O3' DG A 2 6.489 -2.264 -10.166 1.00 0.00 O ATOM 38 C2' DG A 2 4.057 -1.910 -10.296 1.00 0.00 C ATOM 39 C1' DG A 2 3.421 -1.097 -11.465 1.00 0.00 C ATOM 40 N9 DG A 2 1.967 -1.393 -11.615 1.00 0.00 N ATOM 41 C8 DG A 2 1.435 -2.620 -11.860 1.00 0.00 C ATOM 42 N7 DG A 2 0.120 -2.679 -11.877 1.00 0.00 N ATOM 43 C5 DG A 2 -0.260 -1.374 -11.611 1.00 0.00 C ATOM 44 C6 DG A 2 -1.549 -0.833 -11.445 1.00 0.00 C ATOM 45 O6 DG A 2 -2.611 -1.456 -11.537 1.00 0.00 O ATOM 46 N1 DG A 2 -1.521 0.506 -11.090 1.00 0.00 N ATOM 47 C2 DG A 2 -0.390 1.253 -10.901 1.00 0.00 C ATOM 48 N2 DG A 2 -0.647 2.504 -10.550 1.00 0.00 N ATOM 49 N3 DG A 2 0.837 0.761 -11.097 1.00 0.00 N ATOM 50 C4 DG A 2 0.854 -0.555 -11.418 1.00 0.00 C ATOM 0 H5' DG A 2 6.905 -3.398 -13.121 1.00 0.00 H new ATOM 0 H5'' DG A 2 5.282 -4.058 -13.144 1.00 0.00 H new ATOM 0 H4' DG A 2 6.125 -1.238 -12.465 1.00 0.00 H new ATOM 0 H3' DG A 2 5.214 -3.655 -10.920 1.00 0.00 H new ATOM 0 H2' DG A 2 3.364 -2.657 -9.908 1.00 0.00 H new ATOM 0 H2'' DG A 2 4.328 -1.262 -9.462 1.00 0.00 H new ATOM 0 H1' DG A 2 3.557 -0.030 -11.286 1.00 0.00 H new ATOM 0 H8 DG A 2 2.052 -3.490 -12.030 1.00 0.00 H new ATOM 0 H1 DG A 2 -2.418 0.974 -10.959 1.00 0.00 H new ATOM 0 H21 DG A 2 0.120 3.154 -10.382 1.00 0.00 H new ATOM 0 H22 DG A 2 -1.612 2.817 -10.448 1.00 0.00 H new ATOM 62 P DG A 3 7.306 -3.207 -9.157 1.00 0.00 P ATOM 63 OP1 DG A 3 8.255 -4.003 -9.967 1.00 0.00 O ATOM 64 OP2 DG A 3 6.389 -3.973 -8.279 1.00 0.00 O ATOM 65 O5' DG A 3 8.154 -2.140 -8.291 1.00 0.00 O ATOM 66 C5' DG A 3 7.815 -0.797 -7.814 1.00 0.00 C ATOM 67 C4' DG A 3 7.308 -0.718 -6.343 1.00 0.00 C ATOM 68 O4' DG A 3 5.996 -1.348 -6.156 1.00 0.00 O ATOM 69 C3' DG A 3 8.231 -1.399 -5.299 1.00 0.00 C ATOM 70 O3' DG A 3 8.721 -0.442 -4.334 1.00 0.00 O ATOM 71 C2' DG A 3 7.269 -2.406 -4.561 1.00 0.00 C ATOM 72 C1' DG A 3 5.902 -1.705 -4.797 1.00 0.00 C ATOM 73 N9 DG A 3 4.642 -2.528 -4.714 1.00 0.00 N ATOM 74 C8 DG A 3 4.369 -3.832 -5.098 1.00 0.00 C ATOM 75 N7 DG A 3 3.077 -4.160 -5.108 1.00 0.00 N ATOM 76 C5 DG A 3 2.444 -2.991 -4.735 1.00 0.00 C ATOM 77 C6 DG A 3 1.073 -2.698 -4.650 1.00 0.00 C ATOM 78 O6 DG A 3 0.171 -3.514 -4.847 1.00 0.00 O ATOM 79 N1 DG A 3 0.820 -1.356 -4.368 1.00 0.00 N ATOM 80 C2 DG A 3 1.774 -0.417 -4.127 1.00 0.00 C ATOM 81 N2 DG A 3 1.269 0.778 -3.910 1.00 0.00 N ATOM 82 N3 DG A 3 3.073 -0.702 -4.110 1.00 0.00 N ATOM 83 C4 DG A 3 3.366 -1.978 -4.481 1.00 0.00 C ATOM 0 H5' DG A 3 7.048 -0.381 -8.467 1.00 0.00 H new ATOM 0 H5'' DG A 3 8.696 -0.162 -7.911 1.00 0.00 H new ATOM 0 H4' DG A 3 7.277 0.358 -6.175 1.00 0.00 H new ATOM 0 H3' DG A 3 9.101 -1.863 -5.764 1.00 0.00 H new ATOM 0 H2' DG A 3 7.303 -3.406 -4.993 1.00 0.00 H new ATOM 0 H2'' DG A 3 7.507 -2.508 -3.502 1.00 0.00 H new ATOM 0 H1' DG A 3 5.789 -0.946 -4.023 1.00 0.00 H new ATOM 0 H8 DG A 3 5.146 -4.531 -5.369 1.00 0.00 H new ATOM 0 H1 DG A 3 -0.154 -1.056 -4.340 1.00 0.00 H new ATOM 0 H21 DG A 3 1.888 1.566 -3.717 1.00 0.00 H new ATOM 0 H22 DG A 3 0.259 0.917 -3.934 1.00 0.00 H new ATOM 95 P DA A 4 9.833 0.709 -4.434 1.00 0.00 P ATOM 96 OP1 DA A 4 9.726 1.469 -5.707 1.00 0.00 O ATOM 97 OP2 DA A 4 11.146 0.070 -4.163 1.00 0.00 O ATOM 98 O5' DA A 4 9.403 1.686 -3.254 1.00 0.00 O ATOM 99 C5' DA A 4 9.290 1.522 -1.829 1.00 0.00 C ATOM 100 C4' DA A 4 8.083 2.307 -1.256 1.00 0.00 C ATOM 101 O4' DA A 4 6.804 1.584 -1.525 1.00 0.00 O ATOM 102 C3' DA A 4 8.167 2.376 0.290 1.00 0.00 C ATOM 103 O3' DA A 4 7.924 3.759 0.640 1.00 0.00 O ATOM 104 C2' DA A 4 7.079 1.359 0.801 1.00 0.00 C ATOM 105 C1' DA A 4 6.022 1.408 -0.327 1.00 0.00 C ATOM 106 N9 DA A 4 5.230 0.136 -0.495 1.00 0.00 N ATOM 107 C8 DA A 4 5.717 -1.142 -0.711 1.00 0.00 C ATOM 108 N7 DA A 4 4.807 -2.063 -0.953 1.00 0.00 N ATOM 109 C5 DA A 4 3.617 -1.351 -0.882 1.00 0.00 C ATOM 110 C6 DA A 4 2.287 -1.780 -1.056 1.00 0.00 C ATOM 111 N6 DA A 4 2.002 -3.050 -1.400 1.00 0.00 N ATOM 112 N1 DA A 4 1.304 -0.867 -0.879 1.00 0.00 N ATOM 113 C2 DA A 4 1.604 0.414 -0.637 1.00 0.00 C ATOM 114 N3 DA A 4 2.840 0.951 -0.527 1.00 0.00 N ATOM 115 C4 DA A 4 3.818 -0.004 -0.631 1.00 0.00 C ATOM 0 H5' DA A 4 10.207 1.864 -1.349 1.00 0.00 H new ATOM 0 H5'' DA A 4 9.182 0.464 -1.592 1.00 0.00 H new ATOM 0 H4' DA A 4 8.107 3.292 -1.722 1.00 0.00 H new ATOM 0 H3' DA A 4 9.120 2.099 0.740 1.00 0.00 H new ATOM 0 H2' DA A 4 7.489 0.357 0.931 1.00 0.00 H new ATOM 0 H2'' DA A 4 6.662 1.660 1.762 1.00 0.00 H new ATOM 0 H1' DA A 4 5.295 2.189 -0.106 1.00 0.00 H new ATOM 0 H8 DA A 4 6.773 -1.369 -0.683 1.00 0.00 H new ATOM 0 H61 DA A 4 1.032 -3.340 -1.521 1.00 0.00 H new ATOM 0 H62 DA A 4 2.756 -3.722 -1.540 1.00 0.00 H new ATOM 0 H2 DA A 4 0.771 1.091 -0.517 1.00 0.00 H new ATOM 127 P DT A 5 7.430 4.632 1.879 1.00 0.00 P ATOM 128 OP1 DT A 5 7.867 6.051 1.740 1.00 0.00 O ATOM 129 OP2 DT A 5 7.775 4.000 3.173 1.00 0.00 O ATOM 130 O5' DT A 5 5.846 4.509 1.757 1.00 0.00 O ATOM 131 C5' DT A 5 4.814 5.112 0.932 1.00 0.00 C ATOM 132 C4' DT A 5 3.430 5.177 1.605 1.00 0.00 C ATOM 133 O4' DT A 5 2.886 3.819 1.653 1.00 0.00 O ATOM 134 C3' DT A 5 3.466 5.754 3.033 1.00 0.00 C ATOM 135 O3' DT A 5 2.642 6.945 3.161 1.00 0.00 O ATOM 136 C2' DT A 5 2.987 4.528 3.869 1.00 0.00 C ATOM 137 C1' DT A 5 2.240 3.589 2.884 1.00 0.00 C ATOM 138 N1 DT A 5 2.531 2.136 3.133 1.00 0.00 N ATOM 139 C2 DT A 5 1.448 1.211 3.219 1.00 0.00 C ATOM 140 O2 DT A 5 0.254 1.485 3.203 1.00 0.00 O ATOM 141 N3 DT A 5 1.801 -0.110 3.289 1.00 0.00 N ATOM 142 C4 DT A 5 3.072 -0.635 3.331 1.00 0.00 C ATOM 143 O4 DT A 5 3.214 -1.861 3.360 1.00 0.00 O ATOM 144 C5 DT A 5 4.158 0.360 3.341 1.00 0.00 C ATOM 145 C7 DT A 5 5.563 -0.163 3.495 1.00 0.00 C ATOM 146 C6 DT A 5 3.852 1.674 3.166 1.00 0.00 C ATOM 0 H5' DT A 5 4.729 4.546 0.004 1.00 0.00 H new ATOM 0 H5'' DT A 5 5.123 6.122 0.663 1.00 0.00 H new ATOM 0 H4' DT A 5 2.808 5.850 1.014 1.00 0.00 H new ATOM 0 H3' DT A 5 4.438 6.124 3.361 1.00 0.00 H new ATOM 0 H2' DT A 5 3.833 4.016 4.327 1.00 0.00 H new ATOM 0 H2'' DT A 5 2.329 4.844 4.679 1.00 0.00 H new ATOM 0 H1' DT A 5 1.169 3.777 2.953 1.00 0.00 H new ATOM 0 H3 DT A 5 1.034 -0.782 3.313 1.00 0.00 H new ATOM 0 H71 DT A 5 5.547 -1.081 4.082 1.00 0.00 H new ATOM 0 H72 DT A 5 5.985 -0.369 2.511 1.00 0.00 H new ATOM 0 H73 DT A 5 6.175 0.582 4.003 1.00 0.00 H new ATOM 0 H6 DT A 5 4.656 2.385 3.048 1.00 0.00 H new ATOM 159 P DC A 6 2.302 7.935 4.366 1.00 0.00 P ATOM 160 OP1 DC A 6 1.673 9.170 3.835 1.00 0.00 O ATOM 161 OP2 DC A 6 3.536 8.084 5.185 1.00 0.00 O ATOM 162 O5' DC A 6 1.219 7.093 5.187 1.00 0.00 O ATOM 163 C5' DC A 6 -0.040 6.626 4.597 1.00 0.00 C ATOM 164 C4' DC A 6 -0.833 5.572 5.398 1.00 0.00 C ATOM 165 O4' DC A 6 -0.098 4.297 5.373 1.00 0.00 O ATOM 166 C3' DC A 6 -0.935 5.924 6.897 1.00 0.00 C ATOM 167 O3' DC A 6 -2.184 6.584 7.195 1.00 0.00 O ATOM 168 C2' DC A 6 -0.752 4.528 7.598 1.00 0.00 C ATOM 169 C1' DC A 6 -0.552 3.494 6.436 1.00 0.00 C ATOM 170 N1 DC A 6 0.565 2.563 6.736 1.00 0.00 N ATOM 171 C2 DC A 6 0.291 1.162 6.703 1.00 0.00 C ATOM 172 O2 DC A 6 -0.862 0.682 6.682 1.00 0.00 O ATOM 173 N3 DC A 6 1.334 0.279 6.678 1.00 0.00 N ATOM 174 C4 DC A 6 2.594 0.733 6.704 1.00 0.00 C ATOM 175 N4 DC A 6 3.556 -0.196 6.661 1.00 0.00 N ATOM 176 C5 DC A 6 2.901 2.140 6.730 1.00 0.00 C ATOM 177 C6 DC A 6 1.869 2.983 6.833 1.00 0.00 C ATOM 0 H5' DC A 6 0.179 6.211 3.613 1.00 0.00 H new ATOM 0 H5'' DC A 6 -0.685 7.491 4.442 1.00 0.00 H new ATOM 0 H4' DC A 6 -1.822 5.525 4.943 1.00 0.00 H new ATOM 0 H3' DC A 6 -0.192 6.641 7.245 1.00 0.00 H new ATOM 0 H2' DC A 6 0.108 4.536 8.268 1.00 0.00 H new ATOM 0 H2'' DC A 6 -1.624 4.275 8.201 1.00 0.00 H new ATOM 0 H1' DC A 6 -1.459 2.917 6.256 1.00 0.00 H new ATOM 0 H41 DC A 6 4.537 0.084 6.678 1.00 0.00 H new ATOM 0 H42 DC A 6 3.309 -1.184 6.612 1.00 0.00 H new ATOM 0 H5 DC A 6 3.918 2.497 6.669 1.00 0.00 H new ATOM 0 H6 DC A 6 2.068 4.032 6.998 1.00 0.00 H new ATOM 189 P DC A 7 -2.957 6.888 8.568 1.00 0.00 P ATOM 190 OP1 DC A 7 -3.925 8.002 8.411 1.00 0.00 O ATOM 191 OP2 DC A 7 -1.963 7.016 9.662 1.00 0.00 O ATOM 192 O5' DC A 7 -3.784 5.539 8.804 1.00 0.00 O ATOM 193 C5' DC A 7 -4.610 4.751 7.904 1.00 0.00 C ATOM 194 C4' DC A 7 -5.022 3.315 8.399 1.00 0.00 C ATOM 195 O4' DC A 7 -3.842 2.440 8.477 1.00 0.00 O ATOM 196 C3' DC A 7 -5.536 3.355 9.855 1.00 0.00 C ATOM 197 O3' DC A 7 -6.980 3.203 9.915 1.00 0.00 O ATOM 198 C2' DC A 7 -4.802 2.213 10.687 1.00 0.00 C ATOM 199 C1' DC A 7 -3.948 1.521 9.573 1.00 0.00 C ATOM 200 N1 DC A 7 -2.546 1.248 9.983 1.00 0.00 N ATOM 201 C2 DC A 7 -2.070 -0.090 9.926 1.00 0.00 C ATOM 202 O2 DC A 7 -2.823 -1.069 9.869 1.00 0.00 O ATOM 203 N3 DC A 7 -0.737 -0.347 9.982 1.00 0.00 N ATOM 204 C4 DC A 7 0.121 0.660 10.167 1.00 0.00 C ATOM 205 N4 DC A 7 1.420 0.350 10.155 1.00 0.00 N ATOM 206 C5 DC A 7 -0.325 2.026 10.350 1.00 0.00 C ATOM 207 C6 DC A 7 -1.647 2.268 10.235 1.00 0.00 C ATOM 0 H5' DC A 7 -4.078 4.646 6.958 1.00 0.00 H new ATOM 0 H5'' DC A 7 -5.520 5.314 7.697 1.00 0.00 H new ATOM 0 H4' DC A 7 -5.776 2.961 7.696 1.00 0.00 H new ATOM 0 H3' DC A 7 -5.307 4.328 10.290 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.183 2.620 11.486 1.00 0.00 H new ATOM 0 H2'' DC A 7 -5.508 1.524 11.151 1.00 0.00 H new ATOM 0 H1' DC A 7 -4.442 0.578 9.339 1.00 0.00 H new ATOM 0 H41 DC A 7 2.120 1.080 10.291 1.00 0.00 H new ATOM 0 H42 DC A 7 1.712 -0.616 10.010 1.00 0.00 H new ATOM 0 H5 DC A 7 0.374 2.820 10.570 1.00 0.00 H new ATOM 0 H6 DC A 7 -2.011 3.279 10.342 1.00 0.00 H new ATOM 219 P DG A 8 -8.126 4.089 10.608 1.00 0.00 P ATOM 220 OP1 DG A 8 -9.071 4.574 9.572 1.00 0.00 O ATOM 221 OP2 DG A 8 -7.511 5.141 11.459 1.00 0.00 O ATOM 222 O5' DG A 8 -8.887 3.070 11.606 1.00 0.00 O ATOM 223 C5' DG A 8 -9.690 1.886 11.327 1.00 0.00 C ATOM 224 C4' DG A 8 -9.309 0.646 12.155 1.00 0.00 C ATOM 225 O4' DG A 8 -7.864 0.385 12.096 1.00 0.00 O ATOM 226 C3' DG A 8 -9.641 0.673 13.643 1.00 0.00 C ATOM 227 O3' DG A 8 -10.926 0.098 13.934 1.00 0.00 O ATOM 228 C2' DG A 8 -8.507 -0.135 14.319 1.00 0.00 C ATOM 229 C1' DG A 8 -7.417 -0.341 13.242 1.00 0.00 C ATOM 230 N9 DG A 8 -6.022 0.081 13.548 1.00 0.00 N ATOM 231 C8 DG A 8 -5.592 1.316 13.924 1.00 0.00 C ATOM 232 N7 DG A 8 -4.286 1.426 14.033 1.00 0.00 N ATOM 233 C5 DG A 8 -3.796 0.187 13.634 1.00 0.00 C ATOM 234 C6 DG A 8 -2.452 -0.268 13.498 1.00 0.00 C ATOM 235 O6 DG A 8 -1.423 0.399 13.657 1.00 0.00 O ATOM 236 N1 DG A 8 -2.387 -1.612 13.150 1.00 0.00 N ATOM 237 C2 DG A 8 -3.467 -2.423 12.905 1.00 0.00 C ATOM 238 N2 DG A 8 -3.122 -3.663 12.587 1.00 0.00 N ATOM 239 N3 DG A 8 -4.732 -1.991 12.991 1.00 0.00 N ATOM 240 C4 DG A 8 -4.842 -0.686 13.362 1.00 0.00 C ATOM 0 H5' DG A 8 -9.599 1.642 10.269 1.00 0.00 H new ATOM 0 H5'' DG A 8 -10.738 2.122 11.511 1.00 0.00 H new ATOM 0 H4' DG A 8 -9.924 -0.120 11.683 1.00 0.00 H new ATOM 0 H3' DG A 8 -9.703 1.697 14.010 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.107 0.402 15.179 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.877 -1.093 14.685 1.00 0.00 H new ATOM 0 HO3' DG A 8 -11.091 0.137 14.899 1.00 0.00 H new ATOM 0 H1' DG A 8 -7.322 -1.421 13.126 1.00 0.00 H new ATOM 0 H8 DG A 8 -6.267 2.137 14.117 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.460 -2.030 13.070 1.00 0.00 H new ATOM 0 H21 DG A 8 -3.842 -4.356 12.383 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.137 -3.924 12.546 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 11 6.079 -8.030 15.238 1.00 0.00 O ATOM 255 C5' DC B 11 5.324 -6.821 15.066 1.00 0.00 C ATOM 256 C4' DC B 11 3.842 -7.090 14.721 1.00 0.00 C ATOM 257 O4' DC B 11 3.115 -5.819 14.742 1.00 0.00 O ATOM 258 C3' DC B 11 3.641 -7.655 13.290 1.00 0.00 C ATOM 259 O3' DC B 11 2.777 -8.816 13.310 1.00 0.00 O ATOM 260 C2' DC B 11 2.958 -6.522 12.538 1.00 0.00 C ATOM 261 C1' DC B 11 2.190 -5.786 13.654 1.00 0.00 C ATOM 262 N1 DC B 11 1.930 -4.351 13.299 1.00 0.00 N ATOM 263 C2 DC B 11 0.605 -3.794 13.234 1.00 0.00 C ATOM 264 O2 DC B 11 -0.414 -4.493 13.261 1.00 0.00 O ATOM 265 N3 DC B 11 0.425 -2.433 13.153 1.00 0.00 N ATOM 266 C4 DC B 11 1.490 -1.625 13.177 1.00 0.00 C ATOM 267 N4 DC B 11 1.322 -0.304 13.302 1.00 0.00 N ATOM 268 C5 DC B 11 2.833 -2.153 13.136 1.00 0.00 C ATOM 269 C6 DC B 11 2.987 -3.490 13.187 1.00 0.00 C ATOM 0 H5' DC B 11 5.775 -6.225 14.273 1.00 0.00 H new ATOM 0 H5'' DC B 11 5.379 -6.230 15.980 1.00 0.00 H new ATOM 0 H4' DC B 11 3.486 -7.815 15.453 1.00 0.00 H new ATOM 0 H3' DC B 11 4.581 -7.969 12.837 1.00 0.00 H new ATOM 0 H2' DC B 11 3.680 -5.870 12.046 1.00 0.00 H new ATOM 0 H2'' DC B 11 2.287 -6.896 11.764 1.00 0.00 H new ATOM 0 HO5' DC B 11 7.009 -7.807 15.453 1.00 0.00 H new ATOM 0 H1' DC B 11 1.219 -6.241 13.852 1.00 0.00 H new ATOM 0 H41 DC B 11 2.133 0.314 13.321 1.00 0.00 H new ATOM 0 H42 DC B 11 0.382 0.086 13.379 1.00 0.00 H new ATOM 0 H5 DC B 11 3.688 -1.496 13.067 1.00 0.00 H new ATOM 0 H6 DC B 11 3.985 -3.899 13.137 1.00 0.00 H new ATOM 282 P DG B 12 3.149 -10.349 13.535 1.00 0.00 P ATOM 283 OP1 DG B 12 2.501 -10.757 14.796 1.00 0.00 O ATOM 284 OP2 DG B 12 4.609 -10.590 13.441 1.00 0.00 O ATOM 285 O5' DG B 12 2.410 -11.107 12.352 1.00 0.00 O ATOM 286 C5' DG B 12 2.487 -11.052 10.905 1.00 0.00 C ATOM 287 C4' DG B 12 1.246 -10.363 10.321 1.00 0.00 C ATOM 288 O4' DG B 12 1.366 -8.914 10.508 1.00 0.00 O ATOM 289 C3' DG B 12 1.081 -10.545 8.793 1.00 0.00 C ATOM 290 O3' DG B 12 -0.262 -10.917 8.319 1.00 0.00 O ATOM 291 C2' DG B 12 1.477 -9.148 8.253 1.00 0.00 C ATOM 292 C1' DG B 12 0.938 -8.257 9.320 1.00 0.00 C ATOM 293 N9 DG B 12 1.554 -6.925 9.313 1.00 0.00 N ATOM 294 C8 DG B 12 2.867 -6.687 9.297 1.00 0.00 C ATOM 295 N7 DG B 12 3.211 -5.398 9.376 1.00 0.00 N ATOM 296 C5 DG B 12 1.973 -4.755 9.482 1.00 0.00 C ATOM 297 C6 DG B 12 1.625 -3.377 9.611 1.00 0.00 C ATOM 298 O6 DG B 12 2.397 -2.424 9.718 1.00 0.00 O ATOM 299 N1 DG B 12 0.253 -3.170 9.649 1.00 0.00 N ATOM 300 C2 DG B 12 -0.691 -4.163 9.588 1.00 0.00 C ATOM 301 N2 DG B 12 -1.944 -3.755 9.648 1.00 0.00 N ATOM 302 N3 DG B 12 -0.367 -5.442 9.502 1.00 0.00 N ATOM 303 C4 DG B 12 0.946 -5.688 9.430 1.00 0.00 C ATOM 0 H5' DG B 12 2.572 -12.061 10.502 1.00 0.00 H new ATOM 0 H5'' DG B 12 3.384 -10.512 10.604 1.00 0.00 H new ATOM 0 H4' DG B 12 0.401 -10.818 10.838 1.00 0.00 H new ATOM 0 H3' DG B 12 1.683 -11.385 8.446 1.00 0.00 H new ATOM 0 H2' DG B 12 2.556 -9.043 8.136 1.00 0.00 H new ATOM 0 H2'' DG B 12 1.030 -8.942 7.281 1.00 0.00 H new ATOM 0 H1' DG B 12 -0.136 -8.107 9.207 1.00 0.00 H new ATOM 0 H8 DG B 12 3.598 -7.478 9.225 1.00 0.00 H new ATOM 0 H1 DG B 12 -0.078 -2.208 9.728 1.00 0.00 H new ATOM 0 H21 DG B 12 -2.704 -4.434 9.609 1.00 0.00 H new ATOM 0 H22 DG B 12 -2.153 -2.760 9.734 1.00 0.00 H new ATOM 315 P DG B 13 -1.822 -10.805 8.751 1.00 0.00 P ATOM 316 OP1 DG B 13 -1.971 -10.888 10.217 1.00 0.00 O ATOM 317 OP2 DG B 13 -2.586 -11.834 8.005 1.00 0.00 O ATOM 318 O5' DG B 13 -2.313 -9.347 8.327 1.00 0.00 O ATOM 319 C5' DG B 13 -3.441 -8.788 7.576 1.00 0.00 C ATOM 320 C4' DG B 13 -3.053 -8.267 6.136 1.00 0.00 C ATOM 321 O4' DG B 13 -2.022 -7.238 6.238 1.00 0.00 O ATOM 322 C3' DG B 13 -2.429 -9.324 5.209 1.00 0.00 C ATOM 323 O3' DG B 13 -3.419 -10.067 4.440 1.00 0.00 O ATOM 324 C2' DG B 13 -1.371 -8.531 4.397 1.00 0.00 C ATOM 325 C1' DG B 13 -1.362 -7.121 4.990 1.00 0.00 C ATOM 326 N9 DG B 13 -0.096 -6.377 5.240 1.00 0.00 N ATOM 327 C8 DG B 13 1.213 -6.749 5.145 1.00 0.00 C ATOM 328 N7 DG B 13 2.104 -5.794 5.441 1.00 0.00 N ATOM 329 C5 DG B 13 1.310 -4.682 5.703 1.00 0.00 C ATOM 330 C6 DG B 13 1.664 -3.351 6.061 1.00 0.00 C ATOM 331 O6 DG B 13 2.811 -2.926 6.224 1.00 0.00 O ATOM 332 N1 DG B 13 0.551 -2.546 6.261 1.00 0.00 N ATOM 333 C2 DG B 13 -0.749 -2.953 6.151 1.00 0.00 C ATOM 334 N2 DG B 13 -1.642 -2.007 6.363 1.00 0.00 N ATOM 335 N3 DG B 13 -1.089 -4.191 5.835 1.00 0.00 N ATOM 336 C4 DG B 13 -0.043 -5.023 5.619 1.00 0.00 C ATOM 0 H5' DG B 13 -3.873 -7.965 8.146 1.00 0.00 H new ATOM 0 H5'' DG B 13 -4.215 -9.550 7.480 1.00 0.00 H new ATOM 0 H4' DG B 13 -4.001 -7.925 5.721 1.00 0.00 H new ATOM 0 H3' DG B 13 -1.949 -10.144 5.743 1.00 0.00 H new ATOM 0 H2' DG B 13 -0.388 -8.995 4.477 1.00 0.00 H new ATOM 0 H2'' DG B 13 -1.627 -8.508 3.338 1.00 0.00 H new ATOM 0 H1' DG B 13 -1.813 -6.519 4.201 1.00 0.00 H new ATOM 0 H8 DG B 13 1.510 -7.745 4.851 1.00 0.00 H new ATOM 0 H1 DG B 13 0.717 -1.571 6.510 1.00 0.00 H new ATOM 0 H21 DG B 13 -2.637 -2.222 6.301 1.00 0.00 H new ATOM 0 H22 DG B 13 -1.338 -1.060 6.589 1.00 0.00 H new ATOM 348 P DA B 14 -4.061 -10.141 2.970 1.00 0.00 P ATOM 349 OP1 DA B 14 -4.923 -11.348 2.885 1.00 0.00 O ATOM 350 OP2 DA B 14 -2.957 -10.110 1.979 1.00 0.00 O ATOM 351 O5' DA B 14 -4.969 -8.808 2.863 1.00 0.00 O ATOM 352 C5' DA B 14 -5.870 -8.132 3.788 1.00 0.00 C ATOM 353 C4' DA B 14 -5.886 -6.596 3.686 1.00 0.00 C ATOM 354 O4' DA B 14 -4.534 -6.011 3.556 1.00 0.00 O ATOM 355 C3' DA B 14 -6.674 -6.070 2.456 1.00 0.00 C ATOM 356 O3' DA B 14 -7.668 -5.085 2.831 1.00 0.00 O ATOM 357 C2' DA B 14 -5.578 -5.467 1.527 1.00 0.00 C ATOM 358 C1' DA B 14 -4.577 -4.943 2.601 1.00 0.00 C ATOM 359 N9 DA B 14 -3.180 -4.753 2.118 1.00 0.00 N ATOM 360 C8 DA B 14 -2.334 -5.734 1.664 1.00 0.00 C ATOM 361 N7 DA B 14 -1.063 -5.402 1.617 1.00 0.00 N ATOM 362 C5 DA B 14 -1.075 -4.100 2.105 1.00 0.00 C ATOM 363 C6 DA B 14 -0.001 -3.193 2.355 1.00 0.00 C ATOM 364 N6 DA B 14 1.290 -3.563 2.217 1.00 0.00 N ATOM 365 N1 DA B 14 -0.317 -1.945 2.732 1.00 0.00 N ATOM 366 C2 DA B 14 -1.596 -1.632 2.948 1.00 0.00 C ATOM 367 N3 DA B 14 -2.681 -2.429 2.854 1.00 0.00 N ATOM 368 C4 DA B 14 -2.344 -3.661 2.393 1.00 0.00 C ATOM 0 H5' DA B 14 -5.595 -8.409 4.806 1.00 0.00 H new ATOM 0 H5'' DA B 14 -6.882 -8.502 3.620 1.00 0.00 H new ATOM 0 H4' DA B 14 -6.364 -6.294 4.618 1.00 0.00 H new ATOM 0 H3' DA B 14 -7.243 -6.859 1.963 1.00 0.00 H new ATOM 0 H2' DA B 14 -5.132 -6.213 0.869 1.00 0.00 H new ATOM 0 H2'' DA B 14 -5.962 -4.670 0.891 1.00 0.00 H new ATOM 0 H1' DA B 14 -4.910 -3.967 2.956 1.00 0.00 H new ATOM 0 H8 DA B 14 -2.688 -6.710 1.366 1.00 0.00 H new ATOM 0 H61 DA B 14 2.035 -2.892 2.403 1.00 0.00 H new ATOM 0 H62 DA B 14 1.520 -4.513 1.927 1.00 0.00 H new ATOM 0 H2 DA B 14 -1.788 -0.609 3.235 1.00 0.00 H new ATOM 380 P DT B 15 -8.898 -4.422 2.038 1.00 0.00 P ATOM 381 OP1 DT B 15 -9.950 -4.072 3.021 1.00 0.00 O ATOM 382 OP2 DT B 15 -9.317 -5.315 0.929 1.00 0.00 O ATOM 383 O5' DT B 15 -8.281 -3.060 1.454 1.00 0.00 O ATOM 384 C5' DT B 15 -7.764 -1.913 2.193 1.00 0.00 C ATOM 385 C4' DT B 15 -6.845 -0.955 1.393 1.00 0.00 C ATOM 386 O4' DT B 15 -5.577 -1.588 1.136 1.00 0.00 O ATOM 387 C3' DT B 15 -7.302 -0.532 -0.016 1.00 0.00 C ATOM 388 O3' DT B 15 -8.204 0.613 -0.028 1.00 0.00 O ATOM 389 C2' DT B 15 -5.896 -0.162 -0.691 1.00 0.00 C ATOM 390 C1' DT B 15 -4.838 -0.744 0.282 1.00 0.00 C ATOM 391 N1 DT B 15 -3.739 -1.556 -0.352 1.00 0.00 N ATOM 392 C2 DT B 15 -2.398 -1.106 -0.257 1.00 0.00 C ATOM 393 O2 DT B 15 -2.039 -0.047 0.235 1.00 0.00 O ATOM 394 N3 DT B 15 -1.446 -1.969 -0.747 1.00 0.00 N ATOM 395 C4 DT B 15 -1.653 -3.217 -1.285 1.00 0.00 C ATOM 396 O4 DT B 15 -0.688 -3.860 -1.678 1.00 0.00 O ATOM 397 C5 DT B 15 -3.040 -3.655 -1.332 1.00 0.00 C ATOM 398 C7 DT B 15 -3.389 -5.003 -1.898 1.00 0.00 C ATOM 399 C6 DT B 15 -3.993 -2.822 -0.871 1.00 0.00 C ATOM 0 H5' DT B 15 -7.210 -2.281 3.057 1.00 0.00 H new ATOM 0 H5'' DT B 15 -8.609 -1.340 2.576 1.00 0.00 H new ATOM 0 H4' DT B 15 -6.835 -0.078 2.040 1.00 0.00 H new ATOM 0 H3' DT B 15 -7.880 -1.305 -0.522 1.00 0.00 H new ATOM 0 H2' DT B 15 -5.805 -0.599 -1.685 1.00 0.00 H new ATOM 0 H2'' DT B 15 -5.781 0.916 -0.805 1.00 0.00 H new ATOM 0 H1' DT B 15 -4.319 0.085 0.763 1.00 0.00 H new ATOM 0 H3 DT B 15 -0.479 -1.647 -0.707 1.00 0.00 H new ATOM 0 H71 DT B 15 -4.284 -5.383 -1.406 1.00 0.00 H new ATOM 0 H72 DT B 15 -3.574 -4.911 -2.968 1.00 0.00 H new ATOM 0 H73 DT B 15 -2.562 -5.693 -1.730 1.00 0.00 H new ATOM 0 H6 DT B 15 -5.019 -3.158 -0.906 1.00 0.00 H new ATOM 412 P DC B 16 -9.042 1.190 -1.257 1.00 0.00 P ATOM 413 OP1 DC B 16 -10.007 2.197 -0.756 1.00 0.00 O ATOM 414 OP2 DC B 16 -9.641 0.087 -2.037 1.00 0.00 O ATOM 415 O5' DC B 16 -7.989 1.947 -2.199 1.00 0.00 O ATOM 416 C5' DC B 16 -7.206 3.143 -1.894 1.00 0.00 C ATOM 417 C4' DC B 16 -6.039 3.446 -2.883 1.00 0.00 C ATOM 418 O4' DC B 16 -4.894 2.563 -2.659 1.00 0.00 O ATOM 419 C3' DC B 16 -6.345 3.283 -4.343 1.00 0.00 C ATOM 420 O3' DC B 16 -7.126 4.364 -4.899 1.00 0.00 O ATOM 421 C2' DC B 16 -4.921 3.277 -4.925 1.00 0.00 C ATOM 422 C1' DC B 16 -4.087 2.562 -3.818 1.00 0.00 C ATOM 423 N1 DC B 16 -3.765 1.116 -4.049 1.00 0.00 N ATOM 424 C2 DC B 16 -2.404 0.710 -4.068 1.00 0.00 C ATOM 425 O2 DC B 16 -1.466 1.517 -4.001 1.00 0.00 O ATOM 426 N3 DC B 16 -2.080 -0.615 -4.198 1.00 0.00 N ATOM 427 C4 DC B 16 -3.064 -1.516 -4.388 1.00 0.00 C ATOM 428 N4 DC B 16 -2.708 -2.782 -4.580 1.00 0.00 N ATOM 429 C5 DC B 16 -4.462 -1.160 -4.400 1.00 0.00 C ATOM 430 C6 DC B 16 -4.743 0.139 -4.167 1.00 0.00 C ATOM 0 H5' DC B 16 -6.793 3.040 -0.891 1.00 0.00 H new ATOM 0 H5'' DC B 16 -7.877 4.002 -1.876 1.00 0.00 H new ATOM 0 H4' DC B 16 -5.842 4.496 -2.668 1.00 0.00 H new ATOM 0 H3' DC B 16 -6.952 2.404 -4.559 1.00 0.00 H new ATOM 0 H2' DC B 16 -4.876 2.741 -5.873 1.00 0.00 H new ATOM 0 H2'' DC B 16 -4.558 4.288 -5.113 1.00 0.00 H new ATOM 0 H1' DC B 16 -3.140 3.099 -3.772 1.00 0.00 H new ATOM 0 H41 DC B 16 -3.422 -3.496 -4.728 1.00 0.00 H new ATOM 0 H42 DC B 16 -1.721 -3.040 -4.580 1.00 0.00 H new ATOM 0 H5 DC B 16 -5.237 -1.889 -4.584 1.00 0.00 H new ATOM 0 H6 DC B 16 -5.778 0.432 -4.068 1.00 0.00 H new ATOM 442 P DC B 17 -8.694 4.458 -5.162 1.00 0.00 P ATOM 443 OP1 DC B 17 -9.308 4.999 -3.918 1.00 0.00 O ATOM 444 OP2 DC B 17 -9.210 3.149 -5.633 1.00 0.00 O ATOM 445 O5' DC B 17 -8.767 5.561 -6.328 1.00 0.00 O ATOM 446 C5' DC B 17 -8.936 5.570 -7.772 1.00 0.00 C ATOM 447 C4' DC B 17 -7.599 5.879 -8.522 1.00 0.00 C ATOM 448 O4' DC B 17 -6.700 4.741 -8.430 1.00 0.00 O ATOM 449 C3' DC B 17 -7.826 6.121 -10.019 1.00 0.00 C ATOM 450 O3' DC B 17 -7.744 7.529 -10.373 1.00 0.00 O ATOM 451 C2' DC B 17 -6.747 5.328 -10.739 1.00 0.00 C ATOM 452 C1' DC B 17 -5.922 4.634 -9.614 1.00 0.00 C ATOM 453 N1 DC B 17 -5.731 3.170 -9.931 1.00 0.00 N ATOM 454 C2 DC B 17 -4.455 2.654 -10.313 1.00 0.00 C ATOM 455 O2 DC B 17 -3.421 3.336 -10.335 1.00 0.00 O ATOM 456 N3 DC B 17 -4.355 1.348 -10.694 1.00 0.00 N ATOM 457 C4 DC B 17 -5.436 0.571 -10.765 1.00 0.00 C ATOM 458 N4 DC B 17 -5.315 -0.695 -11.174 1.00 0.00 N ATOM 459 C5 DC B 17 -6.722 1.047 -10.428 1.00 0.00 C ATOM 460 C6 DC B 17 -6.840 2.331 -10.031 1.00 0.00 C ATOM 0 H5' DC B 17 -9.684 6.315 -8.044 1.00 0.00 H new ATOM 0 H5'' DC B 17 -9.318 4.602 -8.097 1.00 0.00 H new ATOM 0 H4' DC B 17 -7.183 6.770 -8.053 1.00 0.00 H new ATOM 0 H3' DC B 17 -8.829 5.804 -10.304 1.00 0.00 H new ATOM 0 H2' DC B 17 -7.185 4.594 -11.415 1.00 0.00 H new ATOM 0 H2'' DC B 17 -6.116 5.981 -11.343 1.00 0.00 H new ATOM 0 H1' DC B 17 -4.941 5.097 -9.512 1.00 0.00 H new ATOM 0 H41 DC B 17 -6.139 -1.294 -11.230 1.00 0.00 H new ATOM 0 H42 DC B 17 -4.399 -1.063 -11.430 1.00 0.00 H new ATOM 0 H5 DC B 17 -7.586 0.402 -10.486 1.00 0.00 H new ATOM 0 H6 DC B 17 -7.818 2.718 -9.785 1.00 0.00 H new ATOM 472 P DG B 18 -8.864 8.488 -10.987 1.00 0.00 P ATOM 473 OP1 DG B 18 -9.277 9.474 -9.955 1.00 0.00 O ATOM 474 OP2 DG B 18 -9.959 7.676 -11.563 1.00 0.00 O ATOM 475 O5' DG B 18 -8.123 9.239 -12.215 1.00 0.00 O ATOM 476 C5' DG B 18 -7.034 10.209 -12.299 1.00 0.00 C ATOM 477 C4' DG B 18 -5.797 9.716 -13.116 1.00 0.00 C ATOM 478 O4' DG B 18 -5.447 8.341 -12.756 1.00 0.00 O ATOM 479 C3' DG B 18 -5.988 9.726 -14.635 1.00 0.00 C ATOM 480 O3' DG B 18 -5.451 10.908 -15.238 1.00 0.00 O ATOM 481 C2' DG B 18 -5.185 8.516 -15.109 1.00 0.00 C ATOM 482 C1' DG B 18 -4.809 7.710 -13.851 1.00 0.00 C ATOM 483 N9 DG B 18 -5.225 6.279 -13.857 1.00 0.00 N ATOM 484 C8 DG B 18 -6.478 5.834 -14.063 1.00 0.00 C ATOM 485 N7 DG B 18 -6.596 4.519 -14.140 1.00 0.00 N ATOM 486 C5 DG B 18 -5.300 4.055 -13.948 1.00 0.00 C ATOM 487 C6 DG B 18 -4.797 2.722 -13.930 1.00 0.00 C ATOM 488 O6 DG B 18 -5.480 1.693 -14.088 1.00 0.00 O ATOM 489 N1 DG B 18 -3.401 2.701 -13.767 1.00 0.00 N ATOM 490 C2 DG B 18 -2.605 3.802 -13.629 1.00 0.00 C ATOM 491 N2 DG B 18 -1.323 3.489 -13.588 1.00 0.00 N ATOM 492 N3 DG B 18 -3.088 5.055 -13.607 1.00 0.00 N ATOM 493 C4 DG B 18 -4.428 5.125 -13.769 1.00 0.00 C ATOM 0 H5' DG B 18 -6.710 10.463 -11.290 1.00 0.00 H new ATOM 0 H5'' DG B 18 -7.413 11.125 -12.752 1.00 0.00 H new ATOM 0 H4' DG B 18 -5.014 10.429 -12.858 1.00 0.00 H new ATOM 0 H3' DG B 18 -7.044 9.698 -14.903 1.00 0.00 H new ATOM 0 H2' DG B 18 -5.773 7.908 -15.797 1.00 0.00 H new ATOM 0 H2'' DG B 18 -4.291 8.832 -15.647 1.00 0.00 H new ATOM 0 HO3' DG B 18 -5.592 10.874 -16.207 1.00 0.00 H new ATOM 0 H1' DG B 18 -3.720 7.700 -13.798 1.00 0.00 H new ATOM 0 H8 DG B 18 -7.323 6.500 -14.158 1.00 0.00 H new ATOM 0 H1 DG B 18 -2.945 1.789 -13.750 1.00 0.00 H new ATOM 0 H21 DG B 18 -0.622 4.223 -13.487 1.00 0.00 H new ATOM 0 H22 DG B 18 -1.034 2.513 -13.657 1.00 0.00 H new TER 506 DG B 18 HETATM 507 C1 DAG B 21 -3.471 6.896 2.506 1.00 0.00 C HETATM 508 C2 DAG B 21 -4.186 7.675 3.638 1.00 0.00 C HETATM 509 C3 DAG B 21 -5.046 6.708 4.461 1.00 0.00 C HETATM 510 C4 DAG B 21 -5.857 5.708 3.565 1.00 0.00 C HETATM 511 C5 DAG B 21 -5.058 5.189 2.331 1.00 0.00 C HETATM 512 C6 DAG B 21 -5.946 4.428 1.328 1.00 0.00 C HETATM 513 O1 DAG B 21 -2.795 7.658 1.552 1.00 0.00 O HETATM 514 O2 DAG B 21 -3.119 8.300 4.369 1.00 0.00 O HETATM 515 O3 DAG B 21 -5.799 7.117 5.615 1.00 0.00 O HETATM 516 N4 DAG B 21 -6.474 4.726 4.439 1.00 0.00 N HETATM 517 O5 DAG B 21 -4.468 6.296 1.704 1.00 0.00 O HETATM 0 HN42 DAG B 21 -7.050 3.982 4.044 1.00 0.00 H new HETATM 0 HO3 DAG B 21 -6.756 7.090 5.407 1.00 0.00 H new HETATM 0 H63 DAG B 21 -6.396 3.567 1.821 1.00 0.00 H new HETATM 0 H62 DAG B 21 -6.732 5.089 0.963 1.00 0.00 H new HETATM 0 H61 DAG B 21 -5.339 4.089 0.489 1.00 0.00 H new HETATM 0 H5 DAG B 21 -4.305 4.481 2.677 1.00 0.00 H new HETATM 0 H4 DAG B 21 -6.675 6.211 3.049 1.00 0.00 H new HETATM 0 H3 DAG B 21 -4.219 6.230 4.986 1.00 0.00 H new HETATM 0 H2 DAG B 21 -4.887 8.436 3.295 1.00 0.00 H new HETATM 0 H1 DAG B 21 -2.770 6.255 3.040 1.00 0.00 H new HETATM 528 C1 TMR B 22 -5.552 2.578 4.589 1.00 0.00 C HETATM 529 C2 TMR B 22 -4.190 1.958 4.837 1.00 0.00 C HETATM 530 C3 TMR B 22 -4.297 0.460 4.919 1.00 0.00 C HETATM 531 C4 TMR B 22 -5.441 0.085 5.889 1.00 0.00 C HETATM 532 C5 TMR B 22 -6.763 0.753 5.433 1.00 0.00 C HETATM 533 C6 TMR B 22 -7.947 0.435 6.364 1.00 0.00 C HETATM 534 C7 TMR B 22 -5.223 -2.082 7.692 1.00 0.00 C HETATM 535 O1 TMR B 22 -5.342 3.932 4.861 1.00 0.00 O HETATM 536 O3 TMR B 22 -4.571 0.009 3.592 1.00 0.00 O HETATM 537 O5 TMR B 22 -6.539 2.143 5.508 1.00 0.00 O HETATM 538 S4 TMR B 22 -5.612 -1.710 5.969 1.00 0.00 S HETATM 0 HO3 TMR B 22 -3.900 -0.654 3.327 1.00 0.00 H new HETATM 0 H73 TMR B 22 -5.515 -3.107 7.918 1.00 0.00 H new HETATM 0 H72 TMR B 22 -4.152 -1.966 7.856 1.00 0.00 H new HETATM 0 H71 TMR B 22 -5.767 -1.398 8.344 1.00 0.00 H new HETATM 0 H63 TMR B 22 -8.111 -0.642 6.389 1.00 0.00 H new HETATM 0 H62 TMR B 22 -7.725 0.792 7.370 1.00 0.00 H new HETATM 0 H61 TMR B 22 -8.844 0.930 5.993 1.00 0.00 H new HETATM 0 H5 TMR B 22 -7.017 0.389 4.437 1.00 0.00 H new HETATM 0 H4 TMR B 22 -5.204 0.451 6.888 1.00 0.00 H new HETATM 0 H3 TMR B 22 -3.385 -0.003 5.296 1.00 0.00 H new HETATM 0 H22 TMR B 22 -3.507 2.236 4.035 1.00 0.00 H new HETATM 0 H21 TMR B 22 -3.770 2.349 5.763 1.00 0.00 H new HETATM 0 H1 TMR B 22 -5.902 2.326 3.588 1.00 0.00 H new HETATM 552 C1 MAT A 23 -3.442 9.598 4.753 1.00 0.00 C HETATM 553 C2 MAT A 23 -2.591 10.128 5.897 1.00 0.00 C HETATM 554 C3 MAT A 23 -1.145 10.266 5.440 1.00 0.00 C HETATM 555 C4 MAT A 23 -1.134 11.200 4.213 1.00 0.00 C HETATM 556 C5 MAT A 23 -2.049 10.630 3.116 1.00 0.00 C HETATM 557 C6 MAT A 23 0.643 12.378 2.749 1.00 0.00 C HETATM 558 C7 MAT A 23 -0.407 13.374 2.233 1.00 0.00 C HETATM 559 C8 MAT A 23 1.155 11.469 1.612 1.00 0.00 C HETATM 560 C9 MAT A 23 0.197 10.010 7.428 1.00 0.00 C HETATM 561 O3 MAT A 23 -0.361 10.870 6.457 1.00 0.00 O HETATM 562 N4 MAT A 23 0.260 11.511 3.869 1.00 0.00 N HETATM 563 O5 MAT A 23 -3.352 10.445 3.620 1.00 0.00 O HETATM 0 HN4 MAT A 23 1.001 11.103 4.439 1.00 0.00 H new HETATM 0 H93 MAT A 23 -0.602 9.481 7.948 1.00 0.00 H new HETATM 0 H92 MAT A 23 0.853 9.288 6.941 1.00 0.00 H new HETATM 0 H91 MAT A 23 0.771 10.596 8.146 1.00 0.00 H new HETATM 0 H83 MAT A 23 0.321 10.908 1.191 1.00 0.00 H new HETATM 0 H82 MAT A 23 1.610 12.081 0.833 1.00 0.00 H new HETATM 0 H81 MAT A 23 1.897 10.775 2.007 1.00 0.00 H new HETATM 0 H73 MAT A 23 0.036 14.001 1.459 1.00 0.00 H new HETATM 0 H72 MAT A 23 -1.253 12.827 1.817 1.00 0.00 H new HETATM 0 H71 MAT A 23 -0.749 14.001 3.056 1.00 0.00 H new HETATM 0 H6 MAT A 23 1.412 13.046 3.137 1.00 0.00 H new HETATM 0 H52 MAT A 23 -2.073 11.308 2.263 1.00 0.00 H new HETATM 0 H51 MAT A 23 -1.651 9.681 2.757 1.00 0.00 H new HETATM 0 H4 MAT A 23 -1.577 12.177 4.407 1.00 0.00 H new HETATM 0 H3 MAT A 23 -0.737 9.282 5.209 1.00 0.00 H new HETATM 0 H22 MAT A 23 -2.971 11.094 6.229 1.00 0.00 H new HETATM 0 H21 MAT A 23 -2.650 9.452 6.750 1.00 0.00 H new HETATM 583 C1 DLF B 24 -0.575 6.279 -5.497 1.00 0.00 C HETATM 584 C2 DLF B 24 -0.169 4.983 -6.189 1.00 0.00 C HETATM 585 C3 DLF B 24 -1.428 4.094 -6.403 1.00 0.00 C HETATM 586 C4 DLF B 24 -2.529 4.926 -7.222 1.00 0.00 C HETATM 587 C5 DLF B 24 -2.780 6.308 -6.533 1.00 0.00 C HETATM 588 C6 DLF B 24 -3.663 7.241 -7.365 1.00 0.00 C HETATM 589 O1 DLF B 24 -1.126 5.938 -4.258 1.00 0.00 O HETATM 590 O3 DLF B 24 -0.931 2.966 -7.142 1.00 0.00 O HETATM 591 O4 DLF B 24 -2.090 5.127 -8.587 1.00 0.00 O HETATM 592 O5 DLF B 24 -1.527 6.951 -6.280 1.00 0.00 O HETATM 0 HO4 DLF B 24 -2.570 4.511 -9.179 1.00 0.00 H new HETATM 0 H63 DLF B 24 -3.185 7.433 -8.326 1.00 0.00 H new HETATM 0 H62 DLF B 24 -4.634 6.773 -7.529 1.00 0.00 H new HETATM 0 H61 DLF B 24 -3.800 8.183 -6.833 1.00 0.00 H new HETATM 0 H5 DLF B 24 -3.310 6.105 -5.602 1.00 0.00 H new HETATM 0 H4 DLF B 24 -3.460 4.360 -7.231 1.00 0.00 H new HETATM 0 H3 DLF B 24 -1.915 3.777 -5.481 1.00 0.00 H new HETATM 0 H22 DLF B 24 0.302 5.202 -7.147 1.00 0.00 H new HETATM 0 H21 DLF B 24 0.567 4.451 -5.586 1.00 0.00 H new HETATM 0 H1 DLF B 24 0.285 6.936 -5.363 1.00 0.00 H new HETATM 603 C1 DPA A 25 -1.683 1.915 -7.245 1.00 0.00 C HETATM 604 C2 DPA A 25 -1.039 0.602 -7.487 1.00 0.00 C HETATM 605 C3 DPA A 25 0.432 0.501 -7.535 1.00 0.00 C HETATM 606 C4 DPA A 25 1.081 -0.666 -7.729 1.00 0.00 C HETATM 607 C5 DPA A 25 0.317 -1.908 -7.957 1.00 0.00 C HETATM 608 C6 DPA A 25 -1.036 -1.840 -7.906 1.00 0.00 C HETATM 609 C7 DPA A 25 -1.748 -0.548 -7.721 1.00 0.00 C HETATM 610 C8 DPA A 25 -4.141 -1.437 -7.672 1.00 0.00 C HETATM 611 C9 DPA A 25 -5.590 -0.986 -7.652 1.00 0.00 C HETATM 612 C10 DPA A 25 -6.525 -1.963 -7.674 1.00 0.00 C HETATM 613 C11 DPA A 25 3.232 0.399 -7.794 1.00 0.00 C HETATM 614 C12 DPA A 25 0.361 -4.195 -8.654 1.00 0.00 C HETATM 615 C13 DPA A 25 -7.003 0.905 -7.060 1.00 0.00 C HETATM 616 N7 DPA A 25 -3.206 -0.481 -7.642 1.00 0.00 N HETATM 617 O1 DPA A 25 -2.853 2.049 -7.128 1.00 0.00 O HETATM 618 O4 DPA A 25 2.427 -0.781 -7.731 1.00 0.00 O HETATM 619 O5 DPA A 25 1.036 -3.054 -8.139 1.00 0.00 O HETATM 620 O8 DPA A 25 -3.912 -2.653 -7.619 1.00 0.00 O HETATM 621 O9 DPA A 25 -5.840 0.369 -7.634 1.00 0.00 O HETATM 0 H133 DPA A 25 -7.879 0.504 -7.570 1.00 0.00 H new HETATM 0 H132 DPA A 25 -7.044 0.637 -6.004 1.00 0.00 H new HETATM 0 H131 DPA A 25 -6.991 1.990 -7.159 1.00 0.00 H new HETATM 0 H123 DPA A 25 -0.448 -4.475 -7.979 1.00 0.00 H new HETATM 0 H122 DPA A 25 -0.050 -3.962 -9.636 1.00 0.00 H new HETATM 0 H121 DPA A 25 1.063 -5.024 -8.742 1.00 0.00 H new HETATM 0 H113 DPA A 25 3.007 0.944 -8.711 1.00 0.00 H new HETATM 0 H112 DPA A 25 3.017 1.032 -6.933 1.00 0.00 H new HETATM 0 H111 DPA A 25 4.286 0.121 -7.786 1.00 0.00 H new HETATM 0 H102 DPA A 25 -7.584 -1.704 -7.661 1.00 0.00 H new HETATM 0 H101 DPA A 25 -6.220 -3.009 -7.704 1.00 0.00 H new HETATM 0 HN7 DPA A 25 -3.577 0.464 -7.547 1.00 0.00 H new HETATM 0 H6 DPA A 25 -1.617 -2.757 -8.003 1.00 0.00 H new HETATM 0 H3 DPA A 25 1.021 1.409 -7.408 1.00 0.00 H new HETATM 636 C1 MTC B 26 -1.514 7.245 1.082 1.00 0.00 C HETATM 637 C2 MTC B 26 -1.200 5.811 1.270 1.00 0.00 C HETATM 638 C3 MTC B 26 -1.231 4.625 1.162 1.00 0.00 C HETATM 639 C4 MTC B 26 -1.445 3.283 0.686 1.00 0.00 C HETATM 640 C5 MTC B 26 -2.008 3.103 -0.535 1.00 0.00 C HETATM 641 C6 MTC B 26 -2.302 4.255 -1.380 1.00 0.00 C HETATM 642 C7 MTC B 26 -2.496 5.316 -1.886 1.00 0.00 C HETATM 643 C8 MTC B 26 -2.561 6.704 -2.401 1.00 0.00 C HETATM 644 C9 MTC B 26 -1.356 7.004 -3.335 1.00 0.00 C HETATM 645 C10 MTC B 26 -0.075 7.388 -2.541 1.00 0.00 C HETATM 646 C11 MTC B 26 -0.098 7.637 -1.045 1.00 0.00 C HETATM 647 C12 MTC B 26 -1.296 7.546 -0.405 1.00 0.00 C HETATM 648 C13 MTC B 26 -2.506 7.654 -1.212 1.00 0.00 C HETATM 649 C14 MTC B 26 -3.517 8.694 -0.906 1.00 0.00 C HETATM 650 C15 MTC B 26 -3.339 9.750 0.155 1.00 0.00 C HETATM 651 C16 MTC B 26 -0.928 14.998 -1.914 1.00 0.00 C HETATM 652 C17 MTC B 26 1.816 9.156 -0.548 1.00 0.00 C HETATM 653 C18 MTC B 26 3.997 10.045 -0.510 1.00 0.00 C HETATM 654 O8 MTC B 26 -3.776 6.773 -3.105 1.00 0.00 O HETATM 655 O10 MTC B 26 0.973 7.538 -3.130 1.00 0.00 O HETATM 656 O71 MTC B 26 1.418 10.065 -1.219 1.00 0.00 O HETATM 657 O72 MTC B 26 2.952 9.277 0.135 1.00 0.00 O HETATM 658 N11 MTC B 26 1.163 8.012 -0.362 1.00 0.00 N HETATM 659 S1 MTC B 26 -3.620 11.381 -0.592 1.00 0.00 S HETATM 660 S2 MTC B 26 -1.826 12.296 -0.833 1.00 0.00 S HETATM 661 S3 MTC B 26 -2.331 13.864 -2.014 1.00 0.00 S HETATM 0 H183 MTC B 26 4.261 9.576 -1.458 1.00 0.00 H new HETATM 0 H182 MTC B 26 3.643 11.059 -0.693 1.00 0.00 H new HETATM 0 H181 MTC B 26 4.875 10.078 0.135 1.00 0.00 H new HETATM 0 H163 MTC B 26 -1.125 15.876 -2.529 1.00 0.00 H new HETATM 0 H162 MTC B 26 -0.782 15.306 -0.879 1.00 0.00 H new HETATM 0 H161 MTC B 26 -0.029 14.497 -2.274 1.00 0.00 H new HETATM 0 H152 MTC B 26 -4.039 9.584 0.974 1.00 0.00 H new HETATM 0 H151 MTC B 26 -2.336 9.696 0.577 1.00 0.00 H new HETATM 0 H11A MTC B 26 -0.870 7.868 1.703 1.00 0.00 H new HETATM 0 HO8 MTC B 26 -3.888 7.673 -3.476 1.00 0.00 H new HETATM 0 H91 MTC B 26 -1.618 7.817 -4.013 1.00 0.00 H new HETATM 0 H5 MTC B 26 -2.241 2.097 -0.885 1.00 0.00 H new HETATM 0 H4 MTC B 26 -1.159 2.426 1.296 1.00 0.00 H new HETATM 0 H14 MTC B 26 -4.443 8.695 -1.481 1.00 0.00 H new HETATM 0 H11 MTC B 26 1.559 7.344 0.299 1.00 0.00 H new