USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 401 hydrogens (129 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 26 NBU H41 : B 26 NBU C4 : B 27 CCI CAN :(H bumps) USER MOD NoAdj-H: B 26 NBU H12 : B 26 NBU C1 : B 25 CCI O4D :(H bumps) USER MOD NoAdj-H: B 27 CCIHAN1 : B 27 CCI CAN : B 26 NBU C4 :(H bumps) USER MOD Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 6 DT C7 :methyl 150:sc= -0.0927 (180deg=-0.0927) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.208 (180deg=-0.208) USER MOD Single : A 10 DT C7 :methyl 150:sc= -0.103 (180deg=-0.103) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD Single : B 13 DG O5' : rot -52:sc= 0.167 USER MOD Single : B 22 DT C7 :methyl -30:sc= -0.13 (180deg=-0.341) USER MOD Single : B 24 DC O3' : rot 180:sc= 0 USER MOD Single : B 25 CCI O2D : rot -33:sc= -0.984 USER MOD Single : B 25 CCI O3A : rot -90:sc= 1.24 USER MOD Single : B 25 CCI O3B : rot 151:sc= 1.31 USER MOD Single : B 27 CCI O2D : rot 111:sc= 1.26 USER MOD Single : B 27 CCI O3A : rot -103:sc= 0.359 USER MOD Single : B 27 CCI O3B : rot 64:sc= 1.14 USER MOD Single : B 27 CCI O4D : rot -27:sc=0.000836 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -12.668 14.173 -0.394 1.00 0.00 O ATOM 2 C5' DG A 1 -14.047 13.923 -0.225 1.00 0.00 C ATOM 3 C4' DG A 1 -14.355 12.451 -0.509 1.00 0.00 C ATOM 4 O4' DG A 1 -14.417 12.167 -1.895 1.00 0.00 O ATOM 5 C3' DG A 1 -13.326 11.472 0.059 1.00 0.00 C ATOM 6 O3' DG A 1 -12.601 11.892 1.201 1.00 0.00 O ATOM 7 C2' DG A 1 -12.516 11.072 -1.164 1.00 0.00 C ATOM 8 C1' DG A 1 -13.736 10.943 -2.073 1.00 0.00 C ATOM 9 N9 DG A 1 -13.574 10.524 -3.476 1.00 0.00 N ATOM 10 C8 DG A 1 -12.523 10.646 -4.340 1.00 0.00 C ATOM 11 N7 DG A 1 -12.769 10.182 -5.537 1.00 0.00 N ATOM 12 C5 DG A 1 -14.059 9.657 -5.438 1.00 0.00 C ATOM 13 C6 DG A 1 -14.878 8.961 -6.381 1.00 0.00 C ATOM 14 O6 DG A 1 -14.713 8.829 -7.591 1.00 0.00 O ATOM 15 N1 DG A 1 -15.999 8.383 -5.793 1.00 0.00 N ATOM 16 C2 DG A 1 -16.365 8.570 -4.482 1.00 0.00 C ATOM 17 N2 DG A 1 -17.474 8.001 -4.030 1.00 0.00 N ATOM 18 N3 DG A 1 -15.666 9.311 -3.624 1.00 0.00 N ATOM 19 C4 DG A 1 -14.520 9.806 -4.157 1.00 0.00 C ATOM 0 H5' DG A 1 -14.624 14.559 -0.896 1.00 0.00 H new ATOM 0 H5'' DG A 1 -14.348 14.176 0.792 1.00 0.00 H new ATOM 0 H4' DG A 1 -15.319 12.310 -0.019 1.00 0.00 H new ATOM 0 H3' DG A 1 -13.801 10.612 0.531 1.00 0.00 H new ATOM 0 H2' DG A 1 -11.803 11.830 -1.488 1.00 0.00 H new ATOM 0 H2'' DG A 1 -11.959 10.143 -1.039 1.00 0.00 H new ATOM 0 HO5' DG A 1 -12.482 15.118 -0.211 1.00 0.00 H new ATOM 0 H1' DG A 1 -14.300 10.062 -1.768 1.00 0.00 H new ATOM 0 H8 DG A 1 -11.577 11.085 -4.060 1.00 0.00 H new ATOM 0 H1 DG A 1 -16.586 7.783 -6.372 1.00 0.00 H new ATOM 0 H21 DG A 1 -17.755 8.133 -3.059 1.00 0.00 H new ATOM 0 H22 DG A 1 -18.046 7.431 -4.654 1.00 0.00 H new ATOM 32 P DC A 2 -11.948 10.796 2.215 1.00 0.00 P ATOM 33 OP1 DC A 2 -11.907 11.392 3.569 1.00 0.00 O ATOM 34 OP2 DC A 2 -10.703 10.298 1.593 1.00 0.00 O ATOM 35 O5' DC A 2 -13.000 9.558 2.242 1.00 0.00 O ATOM 36 C5' DC A 2 -14.320 9.690 2.747 1.00 0.00 C ATOM 37 C4' DC A 2 -15.235 8.590 2.172 1.00 0.00 C ATOM 38 O4' DC A 2 -15.104 8.511 0.760 1.00 0.00 O ATOM 39 C3' DC A 2 -14.951 7.199 2.755 1.00 0.00 C ATOM 40 O3' DC A 2 -16.159 6.630 3.237 1.00 0.00 O ATOM 41 C2' DC A 2 -14.414 6.428 1.556 1.00 0.00 C ATOM 42 C1' DC A 2 -14.995 7.157 0.352 1.00 0.00 C ATOM 43 N1 DC A 2 -14.113 7.072 -0.845 1.00 0.00 N ATOM 44 C2 DC A 2 -14.562 6.470 -2.021 1.00 0.00 C ATOM 45 O2 DC A 2 -15.609 5.823 -2.057 1.00 0.00 O ATOM 46 N3 DC A 2 -13.815 6.586 -3.160 1.00 0.00 N ATOM 47 C4 DC A 2 -12.645 7.234 -3.132 1.00 0.00 C ATOM 48 N4 DC A 2 -11.980 7.440 -4.262 1.00 0.00 N ATOM 49 C5 DC A 2 -12.116 7.773 -1.921 1.00 0.00 C ATOM 50 C6 DC A 2 -12.882 7.671 -0.813 1.00 0.00 C ATOM 0 H5' DC A 2 -14.717 10.672 2.489 1.00 0.00 H new ATOM 0 H5'' DC A 2 -14.307 9.627 3.835 1.00 0.00 H new ATOM 0 H4' DC A 2 -16.248 8.879 2.453 1.00 0.00 H new ATOM 0 H3' DC A 2 -14.257 7.200 3.595 1.00 0.00 H new ATOM 0 H2' DC A 2 -13.324 6.432 1.536 1.00 0.00 H new ATOM 0 H2'' DC A 2 -14.729 5.385 1.580 1.00 0.00 H new ATOM 0 H1' DC A 2 -15.947 6.713 0.061 1.00 0.00 H new ATOM 0 H41 DC A 2 -11.088 7.934 -4.246 1.00 0.00 H new ATOM 0 H42 DC A 2 -12.361 7.105 -5.147 1.00 0.00 H new ATOM 0 H5 DC A 2 -11.144 8.243 -1.892 1.00 0.00 H new ATOM 0 H6 DC A 2 -12.515 8.071 0.120 1.00 0.00 H new ATOM 62 P DA A 3 -16.184 5.364 4.243 1.00 0.00 P ATOM 63 OP1 DA A 3 -17.543 5.261 4.814 1.00 0.00 O ATOM 64 OP2 DA A 3 -15.016 5.468 5.144 1.00 0.00 O ATOM 65 O5' DA A 3 -15.952 4.091 3.278 1.00 0.00 O ATOM 66 C5' DA A 3 -17.029 3.465 2.610 1.00 0.00 C ATOM 67 C4' DA A 3 -16.530 2.317 1.722 1.00 0.00 C ATOM 68 O4' DA A 3 -15.830 2.840 0.604 1.00 0.00 O ATOM 69 C3' DA A 3 -15.587 1.357 2.466 1.00 0.00 C ATOM 70 O3' DA A 3 -16.039 0.028 2.280 1.00 0.00 O ATOM 71 C2' DA A 3 -14.251 1.662 1.788 1.00 0.00 C ATOM 72 C1' DA A 3 -14.684 2.047 0.374 1.00 0.00 C ATOM 73 N9 DA A 3 -13.662 2.843 -0.343 1.00 0.00 N ATOM 74 C8 DA A 3 -12.930 3.894 0.146 1.00 0.00 C ATOM 75 N7 DA A 3 -12.148 4.468 -0.718 1.00 0.00 N ATOM 76 C5 DA A 3 -12.373 3.731 -1.870 1.00 0.00 C ATOM 77 C6 DA A 3 -11.819 3.814 -3.150 1.00 0.00 C ATOM 78 N6 DA A 3 -10.897 4.730 -3.401 1.00 0.00 N ATOM 79 N1 DA A 3 -12.196 2.943 -4.104 1.00 0.00 N ATOM 80 C2 DA A 3 -13.091 2.019 -3.764 1.00 0.00 C ATOM 81 N3 DA A 3 -13.687 1.819 -2.591 1.00 0.00 N ATOM 82 C4 DA A 3 -13.284 2.730 -1.665 1.00 0.00 C ATOM 0 H5' DA A 3 -17.559 4.197 2.001 1.00 0.00 H new ATOM 0 H5'' DA A 3 -17.742 3.082 3.340 1.00 0.00 H new ATOM 0 H4' DA A 3 -17.414 1.760 1.411 1.00 0.00 H new ATOM 0 H3' DA A 3 -15.527 1.474 3.548 1.00 0.00 H new ATOM 0 H2' DA A 3 -13.718 2.473 2.285 1.00 0.00 H new ATOM 0 H2'' DA A 3 -13.588 0.797 1.789 1.00 0.00 H new ATOM 0 H1' DA A 3 -14.852 1.170 -0.251 1.00 0.00 H new ATOM 0 H8 DA A 3 -12.998 4.220 1.173 1.00 0.00 H new ATOM 0 H61 DA A 3 -10.486 4.799 -4.332 1.00 0.00 H new ATOM 0 H62 DA A 3 -10.597 5.367 -2.663 1.00 0.00 H new ATOM 0 H2 DA A 3 -13.374 1.335 -4.551 1.00 0.00 H new ATOM 94 P DC A 4 -15.241 -1.252 2.847 1.00 0.00 P ATOM 95 OP1 DC A 4 -16.211 -2.337 3.144 1.00 0.00 O ATOM 96 OP2 DC A 4 -14.287 -0.815 3.887 1.00 0.00 O ATOM 97 O5' DC A 4 -14.413 -1.683 1.542 1.00 0.00 O ATOM 98 C5' DC A 4 -15.099 -2.090 0.375 1.00 0.00 C ATOM 99 C4' DC A 4 -14.112 -2.472 -0.724 1.00 0.00 C ATOM 100 O4' DC A 4 -13.360 -1.348 -1.126 1.00 0.00 O ATOM 101 C3' DC A 4 -13.133 -3.562 -0.272 1.00 0.00 C ATOM 102 O3' DC A 4 -13.159 -4.592 -1.239 1.00 0.00 O ATOM 103 C2' DC A 4 -11.807 -2.814 -0.225 1.00 0.00 C ATOM 104 C1' DC A 4 -12.018 -1.751 -1.302 1.00 0.00 C ATOM 105 N1 DC A 4 -11.175 -0.543 -1.136 1.00 0.00 N ATOM 106 C2 DC A 4 -10.468 -0.033 -2.223 1.00 0.00 C ATOM 107 O2 DC A 4 -10.391 -0.647 -3.284 1.00 0.00 O ATOM 108 N3 DC A 4 -9.843 1.174 -2.103 1.00 0.00 N ATOM 109 C4 DC A 4 -9.918 1.853 -0.951 1.00 0.00 C ATOM 110 N4 DC A 4 -9.347 3.045 -0.877 1.00 0.00 N ATOM 111 C5 DC A 4 -10.679 1.376 0.163 1.00 0.00 C ATOM 112 C6 DC A 4 -11.279 0.177 0.021 1.00 0.00 C ATOM 0 H5' DC A 4 -15.745 -1.284 0.027 1.00 0.00 H new ATOM 0 H5'' DC A 4 -15.744 -2.939 0.603 1.00 0.00 H new ATOM 0 H4' DC A 4 -14.708 -2.854 -1.553 1.00 0.00 H new ATOM 0 H3' DC A 4 -13.348 -4.039 0.684 1.00 0.00 H new ATOM 0 H2' DC A 4 -11.619 -2.374 0.754 1.00 0.00 H new ATOM 0 H2'' DC A 4 -10.961 -3.464 -0.450 1.00 0.00 H new ATOM 0 H1' DC A 4 -11.766 -2.170 -2.276 1.00 0.00 H new ATOM 0 H41 DC A 4 -9.392 3.579 -0.009 1.00 0.00 H new ATOM 0 H42 DC A 4 -8.862 3.429 -1.688 1.00 0.00 H new ATOM 0 H5 DC A 4 -10.768 1.949 1.074 1.00 0.00 H new ATOM 0 H6 DC A 4 -11.856 -0.224 0.841 1.00 0.00 H new ATOM 124 P DC A 5 -12.350 -5.970 -1.071 1.00 0.00 P ATOM 125 OP1 DC A 5 -13.167 -7.041 -1.683 1.00 0.00 O ATOM 126 OP2 DC A 5 -11.915 -6.090 0.338 1.00 0.00 O ATOM 127 O5' DC A 5 -11.055 -5.701 -1.986 1.00 0.00 O ATOM 128 C5' DC A 5 -11.166 -5.609 -3.396 1.00 0.00 C ATOM 129 C4' DC A 5 -9.805 -5.285 -4.022 1.00 0.00 C ATOM 130 O4' DC A 5 -9.426 -3.978 -3.642 1.00 0.00 O ATOM 131 C3' DC A 5 -8.692 -6.252 -3.602 1.00 0.00 C ATOM 132 O3' DC A 5 -8.193 -6.940 -4.739 1.00 0.00 O ATOM 133 C2' DC A 5 -7.659 -5.321 -2.962 1.00 0.00 C ATOM 134 C1' DC A 5 -8.023 -3.934 -3.498 1.00 0.00 C ATOM 135 N1 DC A 5 -7.708 -2.829 -2.551 1.00 0.00 N ATOM 136 C2 DC A 5 -6.951 -1.735 -2.973 1.00 0.00 C ATOM 137 O2 DC A 5 -6.399 -1.715 -4.072 1.00 0.00 O ATOM 138 N3 DC A 5 -6.806 -0.669 -2.134 1.00 0.00 N ATOM 139 C4 DC A 5 -7.382 -0.679 -0.925 1.00 0.00 C ATOM 140 N4 DC A 5 -7.224 0.362 -0.119 1.00 0.00 N ATOM 141 C5 DC A 5 -8.167 -1.783 -0.473 1.00 0.00 C ATOM 142 C6 DC A 5 -8.296 -2.826 -1.318 1.00 0.00 C ATOM 0 H5' DC A 5 -11.888 -4.836 -3.660 1.00 0.00 H new ATOM 0 H5'' DC A 5 -11.544 -6.549 -3.799 1.00 0.00 H new ATOM 0 H4' DC A 5 -9.926 -5.379 -5.101 1.00 0.00 H new ATOM 0 H3' DC A 5 -9.005 -7.039 -2.916 1.00 0.00 H new ATOM 0 H2' DC A 5 -7.712 -5.354 -1.874 1.00 0.00 H new ATOM 0 H2'' DC A 5 -6.643 -5.602 -3.240 1.00 0.00 H new ATOM 0 H1' DC A 5 -7.461 -3.733 -4.410 1.00 0.00 H new ATOM 0 H41 DC A 5 -7.659 0.363 0.804 1.00 0.00 H new ATOM 0 H42 DC A 5 -6.667 1.161 -0.422 1.00 0.00 H new ATOM 0 H5 DC A 5 -8.635 -1.783 0.500 1.00 0.00 H new ATOM 0 H6 DC A 5 -8.880 -3.682 -1.012 1.00 0.00 H new ATOM 154 P DT A 6 -7.181 -8.196 -4.612 1.00 0.00 P ATOM 155 OP1 DT A 6 -7.273 -8.990 -5.857 1.00 0.00 O ATOM 156 OP2 DT A 6 -7.395 -8.846 -3.301 1.00 0.00 O ATOM 157 O5' DT A 6 -5.746 -7.468 -4.585 1.00 0.00 O ATOM 158 C5' DT A 6 -5.198 -6.922 -5.768 1.00 0.00 C ATOM 159 C4' DT A 6 -4.028 -5.991 -5.442 1.00 0.00 C ATOM 160 O4' DT A 6 -4.424 -4.900 -4.627 1.00 0.00 O ATOM 161 C3' DT A 6 -2.865 -6.708 -4.748 1.00 0.00 C ATOM 162 O3' DT A 6 -1.755 -6.740 -5.629 1.00 0.00 O ATOM 163 C2' DT A 6 -2.632 -5.839 -3.512 1.00 0.00 C ATOM 164 C1' DT A 6 -3.294 -4.511 -3.873 1.00 0.00 C ATOM 165 N1 DT A 6 -3.695 -3.722 -2.675 1.00 0.00 N ATOM 166 C2 DT A 6 -3.165 -2.445 -2.487 1.00 0.00 C ATOM 167 O2 DT A 6 -2.342 -1.938 -3.241 1.00 0.00 O ATOM 168 N3 DT A 6 -3.590 -1.758 -1.365 1.00 0.00 N ATOM 169 C4 DT A 6 -4.431 -2.247 -0.388 1.00 0.00 C ATOM 170 C5 DT A 6 -4.908 -3.599 -0.626 1.00 0.00 C ATOM 171 C6 DT A 6 -4.541 -4.271 -1.745 1.00 0.00 C ATOM 172 O4 DT A 6 -4.735 -1.545 0.571 1.00 0.00 O ATOM 185 C7 DT A 6 -5.759 -4.287 0.427 1.00 0.00 C ATOM 0 H5' DT A 6 -5.967 -6.372 -6.311 1.00 0.00 H new ATOM 0 H5'' DT A 6 -4.859 -7.725 -6.422 1.00 0.00 H new ATOM 0 H4' DT A 6 -3.689 -5.626 -6.411 1.00 0.00 H new ATOM 0 H3' DT A 6 -3.046 -7.748 -4.475 1.00 0.00 H new ATOM 0 H2' DT A 6 -3.080 -6.281 -2.622 1.00 0.00 H new ATOM 0 H2'' DT A 6 -1.569 -5.713 -3.305 1.00 0.00 H new ATOM 0 H1' DT A 6 -2.615 -3.853 -4.415 1.00 0.00 H new ATOM 0 H3 DT A 6 -3.251 -0.803 -1.250 1.00 0.00 H new ATOM 0 H71 DT A 6 -6.441 -4.986 -0.056 1.00 0.00 H new ATOM 0 H72 DT A 6 -5.114 -4.829 1.119 1.00 0.00 H new ATOM 0 H73 DT A 6 -6.334 -3.540 0.975 1.00 0.00 H new ATOM 0 H6 DT A 6 -4.926 -5.267 -1.909 1.00 0.00 H new ATOM 186 P DT A 7 -0.377 -7.504 -5.263 1.00 0.00 P ATOM 187 OP1 DT A 7 0.126 -8.168 -6.488 1.00 0.00 O ATOM 188 OP2 DT A 7 -0.573 -8.283 -4.021 1.00 0.00 O ATOM 189 O5' DT A 7 0.592 -6.266 -4.930 1.00 0.00 O ATOM 190 C5' DT A 7 0.993 -5.369 -5.950 1.00 0.00 C ATOM 191 C4' DT A 7 1.722 -4.170 -5.340 1.00 0.00 C ATOM 192 O4' DT A 7 0.875 -3.575 -4.373 1.00 0.00 O ATOM 193 C3' DT A 7 3.047 -4.546 -4.665 1.00 0.00 C ATOM 194 O3' DT A 7 4.065 -3.660 -5.104 1.00 0.00 O ATOM 195 C2' DT A 7 2.714 -4.357 -3.192 1.00 0.00 C ATOM 196 C1' DT A 7 1.646 -3.260 -3.236 1.00 0.00 C ATOM 197 N1 DT A 7 0.753 -3.239 -2.046 1.00 0.00 N ATOM 198 C2 DT A 7 0.468 -2.021 -1.424 1.00 0.00 C ATOM 199 O2 DT A 7 0.925 -0.944 -1.800 1.00 0.00 O ATOM 200 N3 DT A 7 -0.385 -2.069 -0.339 1.00 0.00 N ATOM 201 C4 DT A 7 -1.049 -3.188 0.117 1.00 0.00 C ATOM 202 C5 DT A 7 -0.746 -4.407 -0.606 1.00 0.00 C ATOM 203 C6 DT A 7 0.126 -4.391 -1.642 1.00 0.00 C ATOM 204 O4 DT A 7 -1.857 -3.105 1.034 1.00 0.00 O ATOM 217 C7 DT A 7 -1.399 -5.706 -0.170 1.00 0.00 C ATOM 0 H5' DT A 7 0.121 -5.028 -6.509 1.00 0.00 H new ATOM 0 H5'' DT A 7 1.646 -5.880 -6.658 1.00 0.00 H new ATOM 0 H4' DT A 7 1.959 -3.485 -6.154 1.00 0.00 H new ATOM 0 H3' DT A 7 3.415 -5.548 -4.885 1.00 0.00 H new ATOM 0 H2' DT A 7 2.336 -5.274 -2.740 1.00 0.00 H new ATOM 0 H2'' DT A 7 3.586 -4.052 -2.614 1.00 0.00 H new ATOM 0 H1' DT A 7 2.122 -2.280 -3.259 1.00 0.00 H new ATOM 0 H3 DT A 7 -0.537 -1.199 0.171 1.00 0.00 H new ATOM 0 H71 DT A 7 -1.523 -6.359 -1.034 1.00 0.00 H new ATOM 0 H72 DT A 7 -0.769 -6.199 0.571 1.00 0.00 H new ATOM 0 H73 DT A 7 -2.375 -5.494 0.267 1.00 0.00 H new ATOM 0 H6 DT A 7 0.334 -5.312 -2.166 1.00 0.00 H new ATOM 218 P DC A 8 5.610 -3.817 -4.652 1.00 0.00 P ATOM 219 OP1 DC A 8 6.467 -3.418 -5.790 1.00 0.00 O ATOM 220 OP2 DC A 8 5.786 -5.145 -4.028 1.00 0.00 O ATOM 221 O5' DC A 8 5.758 -2.702 -3.495 1.00 0.00 O ATOM 222 C5' DC A 8 5.801 -1.322 -3.818 1.00 0.00 C ATOM 223 C4' DC A 8 5.845 -0.472 -2.543 1.00 0.00 C ATOM 224 O4' DC A 8 4.686 -0.759 -1.779 1.00 0.00 O ATOM 225 C3' DC A 8 7.079 -0.760 -1.668 1.00 0.00 C ATOM 226 O3' DC A 8 7.693 0.459 -1.283 1.00 0.00 O ATOM 227 C2' DC A 8 6.472 -1.483 -0.474 1.00 0.00 C ATOM 228 C1' DC A 8 5.064 -0.886 -0.426 1.00 0.00 C ATOM 229 N1 DC A 8 4.086 -1.763 0.267 1.00 0.00 N ATOM 230 C2 DC A 8 3.241 -1.222 1.229 1.00 0.00 C ATOM 231 O2 DC A 8 3.325 -0.044 1.561 1.00 0.00 O ATOM 232 N3 DC A 8 2.313 -2.022 1.826 1.00 0.00 N ATOM 233 C4 DC A 8 2.196 -3.307 1.471 1.00 0.00 C ATOM 234 N4 DC A 8 1.286 -4.063 2.077 1.00 0.00 N ATOM 235 C5 DC A 8 3.022 -3.880 0.455 1.00 0.00 C ATOM 236 C6 DC A 8 3.945 -3.070 -0.108 1.00 0.00 C ATOM 0 H5' DC A 8 4.926 -1.054 -4.411 1.00 0.00 H new ATOM 0 H5'' DC A 8 6.678 -1.113 -4.431 1.00 0.00 H new ATOM 0 H4' DC A 8 5.895 0.573 -2.848 1.00 0.00 H new ATOM 0 H3' DC A 8 7.858 -1.340 -2.163 1.00 0.00 H new ATOM 0 H2' DC A 8 6.453 -2.563 -0.617 1.00 0.00 H new ATOM 0 H2'' DC A 8 7.028 -1.293 0.444 1.00 0.00 H new ATOM 0 H1' DC A 8 5.071 0.053 0.127 1.00 0.00 H new ATOM 0 H41 DC A 8 1.184 -5.044 1.818 1.00 0.00 H new ATOM 0 H42 DC A 8 0.690 -3.662 2.801 1.00 0.00 H new ATOM 0 H5 DC A 8 2.913 -4.911 0.152 1.00 0.00 H new ATOM 0 H6 DC A 8 4.591 -3.467 -0.877 1.00 0.00 H new ATOM 248 P DC A 9 9.052 0.512 -0.404 1.00 0.00 P ATOM 249 OP1 DC A 9 9.865 1.655 -0.876 1.00 0.00 O ATOM 250 OP2 DC A 9 9.643 -0.843 -0.364 1.00 0.00 O ATOM 251 O5' DC A 9 8.501 0.859 1.074 1.00 0.00 O ATOM 252 C5' DC A 9 8.012 2.157 1.365 1.00 0.00 C ATOM 253 C4' DC A 9 7.416 2.245 2.772 1.00 0.00 C ATOM 254 O4' DC A 9 6.346 1.330 2.904 1.00 0.00 O ATOM 255 C3' DC A 9 8.418 1.985 3.906 1.00 0.00 C ATOM 256 O3' DC A 9 8.423 3.117 4.763 1.00 0.00 O ATOM 257 C2' DC A 9 7.853 0.734 4.569 1.00 0.00 C ATOM 258 C1' DC A 9 6.370 0.786 4.209 1.00 0.00 C ATOM 259 N1 DC A 9 5.778 -0.577 4.156 1.00 0.00 N ATOM 260 C2 DC A 9 4.725 -0.927 4.998 1.00 0.00 C ATOM 261 O2 DC A 9 4.303 -0.179 5.875 1.00 0.00 O ATOM 262 N3 DC A 9 4.155 -2.156 4.863 1.00 0.00 N ATOM 263 C4 DC A 9 4.623 -3.022 3.959 1.00 0.00 C ATOM 264 N4 DC A 9 4.037 -4.207 3.858 1.00 0.00 N ATOM 265 C5 DC A 9 5.724 -2.704 3.105 1.00 0.00 C ATOM 266 C6 DC A 9 6.261 -1.470 3.242 1.00 0.00 C ATOM 0 H5' DC A 9 7.253 2.431 0.632 1.00 0.00 H new ATOM 0 H5'' DC A 9 8.823 2.879 1.269 1.00 0.00 H new ATOM 0 H4' DC A 9 7.079 3.277 2.875 1.00 0.00 H new ATOM 0 H3' DC A 9 9.454 1.837 3.601 1.00 0.00 H new ATOM 0 H2' DC A 9 8.327 -0.171 4.190 1.00 0.00 H new ATOM 0 H2'' DC A 9 8.006 0.747 5.648 1.00 0.00 H new ATOM 0 H1' DC A 9 5.805 1.361 4.943 1.00 0.00 H new ATOM 0 H41 DC A 9 4.375 -4.886 3.176 1.00 0.00 H new ATOM 0 H42 DC A 9 3.249 -4.439 4.462 1.00 0.00 H new ATOM 0 H5 DC A 9 6.108 -3.413 2.387 1.00 0.00 H new ATOM 0 H6 DC A 9 7.092 -1.184 2.614 1.00 0.00 H new ATOM 278 P DT A 10 9.356 3.219 6.078 1.00 0.00 P ATOM 279 OP1 DT A 10 9.646 4.646 6.333 1.00 0.00 O ATOM 280 OP2 DT A 10 10.464 2.245 5.950 1.00 0.00 O ATOM 281 O5' DT A 10 8.359 2.693 7.225 1.00 0.00 O ATOM 282 C5' DT A 10 7.193 3.423 7.559 1.00 0.00 C ATOM 283 C4' DT A 10 6.345 2.648 8.568 1.00 0.00 C ATOM 284 O4' DT A 10 5.976 1.394 8.017 1.00 0.00 O ATOM 285 C3' DT A 10 7.069 2.372 9.894 1.00 0.00 C ATOM 286 O3' DT A 10 6.254 2.831 10.959 1.00 0.00 O ATOM 287 C2' DT A 10 7.205 0.851 9.884 1.00 0.00 C ATOM 288 C1' DT A 10 5.991 0.439 9.054 1.00 0.00 C ATOM 289 N1 DT A 10 6.112 -0.922 8.472 1.00 0.00 N ATOM 290 C2 DT A 10 5.093 -1.844 8.691 1.00 0.00 C ATOM 291 O2 DT A 10 4.186 -1.674 9.500 1.00 0.00 O ATOM 292 N3 DT A 10 5.147 -3.005 7.950 1.00 0.00 N ATOM 293 C4 DT A 10 6.144 -3.353 7.066 1.00 0.00 C ATOM 294 C5 DT A 10 7.217 -2.387 6.953 1.00 0.00 C ATOM 295 C6 DT A 10 7.167 -1.225 7.649 1.00 0.00 C ATOM 296 O4 DT A 10 6.057 -4.394 6.421 1.00 0.00 O ATOM 309 C7 DT A 10 8.404 -2.696 6.061 1.00 0.00 C ATOM 0 H5' DT A 10 6.610 3.619 6.659 1.00 0.00 H new ATOM 0 H5'' DT A 10 7.470 4.391 7.976 1.00 0.00 H new ATOM 0 H4' DT A 10 5.480 3.277 8.777 1.00 0.00 H new ATOM 0 H3' DT A 10 8.032 2.868 10.013 1.00 0.00 H new ATOM 0 H2' DT A 10 8.141 0.526 9.430 1.00 0.00 H new ATOM 0 H2'' DT A 10 7.176 0.430 10.889 1.00 0.00 H new ATOM 0 H1' DT A 10 5.088 0.407 9.663 1.00 0.00 H new ATOM 0 H3 DT A 10 4.379 -3.666 8.067 1.00 0.00 H new ATOM 0 H71 DT A 10 8.813 -1.767 5.665 1.00 0.00 H new ATOM 0 H72 DT A 10 9.170 -3.212 6.640 1.00 0.00 H new ATOM 0 H73 DT A 10 8.083 -3.332 5.236 1.00 0.00 H new ATOM 0 H6 DT A 10 7.979 -0.519 7.553 1.00 0.00 H new ATOM 310 P DG A 11 6.756 2.825 12.492 1.00 0.00 P ATOM 311 OP1 DG A 11 6.036 3.893 13.216 1.00 0.00 O ATOM 312 OP2 DG A 11 8.235 2.793 12.506 1.00 0.00 O ATOM 313 O5' DG A 11 6.221 1.401 13.027 1.00 0.00 O ATOM 314 C5' DG A 11 4.858 1.213 13.359 1.00 0.00 C ATOM 315 C4' DG A 11 4.597 -0.219 13.835 1.00 0.00 C ATOM 316 O4' DG A 11 4.743 -1.138 12.763 1.00 0.00 O ATOM 317 C3' DG A 11 5.571 -0.631 14.944 1.00 0.00 C ATOM 318 O3' DG A 11 4.830 -1.145 16.039 1.00 0.00 O ATOM 319 C2' DG A 11 6.402 -1.696 14.235 1.00 0.00 C ATOM 320 C1' DG A 11 5.390 -2.293 13.261 1.00 0.00 C ATOM 321 N9 DG A 11 6.020 -3.040 12.148 1.00 0.00 N ATOM 322 C8 DG A 11 7.051 -2.629 11.347 1.00 0.00 C ATOM 323 N7 DG A 11 7.335 -3.441 10.371 1.00 0.00 N ATOM 324 C5 DG A 11 6.437 -4.489 10.545 1.00 0.00 C ATOM 325 C6 DG A 11 6.275 -5.697 9.800 1.00 0.00 C ATOM 326 O6 DG A 11 6.875 -6.052 8.790 1.00 0.00 O ATOM 327 N1 DG A 11 5.317 -6.540 10.336 1.00 0.00 N ATOM 328 C2 DG A 11 4.591 -6.261 11.464 1.00 0.00 C ATOM 329 N2 DG A 11 3.703 -7.163 11.870 1.00 0.00 N ATOM 330 N3 DG A 11 4.720 -5.126 12.167 1.00 0.00 N ATOM 331 C4 DG A 11 5.653 -4.276 11.654 1.00 0.00 C ATOM 0 H5' DG A 11 4.236 1.429 12.490 1.00 0.00 H new ATOM 0 H5'' DG A 11 4.571 1.917 14.140 1.00 0.00 H new ATOM 0 H4' DG A 11 3.577 -0.240 14.219 1.00 0.00 H new ATOM 0 H3' DG A 11 6.187 0.165 15.363 1.00 0.00 H new ATOM 0 H2' DG A 11 7.261 -1.267 13.719 1.00 0.00 H new ATOM 0 H2'' DG A 11 6.788 -2.442 14.930 1.00 0.00 H new ATOM 0 H1' DG A 11 4.737 -3.021 13.743 1.00 0.00 H new ATOM 0 H8 DG A 11 7.586 -1.705 11.512 1.00 0.00 H new ATOM 0 H1 DG A 11 5.140 -7.425 9.861 1.00 0.00 H new ATOM 0 H21 DG A 11 3.145 -6.989 12.706 1.00 0.00 H new ATOM 0 H22 DG A 11 3.580 -8.029 11.346 1.00 0.00 H new ATOM 343 P DC A 12 5.516 -1.507 17.456 1.00 0.00 P ATOM 344 OP1 DC A 12 4.615 -1.051 18.539 1.00 0.00 O ATOM 345 OP2 DC A 12 6.927 -1.066 17.433 1.00 0.00 O ATOM 346 O5' DC A 12 5.494 -3.113 17.424 1.00 0.00 O ATOM 347 C5' DC A 12 4.278 -3.822 17.573 1.00 0.00 C ATOM 348 C4' DC A 12 4.500 -5.299 17.254 1.00 0.00 C ATOM 349 O4' DC A 12 5.007 -5.404 15.940 1.00 0.00 O ATOM 350 C3' DC A 12 5.508 -5.979 18.188 1.00 0.00 C ATOM 351 O3' DC A 12 4.883 -6.992 18.949 1.00 0.00 O ATOM 352 C2' DC A 12 6.547 -6.585 17.252 1.00 0.00 C ATOM 353 C1' DC A 12 5.868 -6.519 15.881 1.00 0.00 C ATOM 354 N1 DC A 12 6.848 -6.292 14.790 1.00 0.00 N ATOM 355 C2 DC A 12 6.986 -7.244 13.789 1.00 0.00 C ATOM 356 O2 DC A 12 6.383 -8.310 13.848 1.00 0.00 O ATOM 357 N3 DC A 12 7.808 -6.992 12.730 1.00 0.00 N ATOM 358 C4 DC A 12 8.488 -5.842 12.672 1.00 0.00 C ATOM 359 N4 DC A 12 9.234 -5.611 11.599 1.00 0.00 N ATOM 360 C5 DC A 12 8.381 -4.848 13.698 1.00 0.00 C ATOM 361 C6 DC A 12 7.549 -5.121 14.731 1.00 0.00 C ATOM 0 H5' DC A 12 3.520 -3.407 16.909 1.00 0.00 H new ATOM 0 H5'' DC A 12 3.904 -3.712 18.591 1.00 0.00 H new ATOM 0 H4' DC A 12 3.538 -5.795 17.378 1.00 0.00 H new ATOM 0 H3' DC A 12 5.944 -5.280 18.901 1.00 0.00 H new ATOM 0 H2' DC A 12 7.479 -6.021 17.267 1.00 0.00 H new ATOM 0 H2'' DC A 12 6.791 -7.610 17.531 1.00 0.00 H new ATOM 0 HO3' DC A 12 5.544 -7.414 19.537 1.00 0.00 H new ATOM 0 H1' DC A 12 5.354 -7.457 15.671 1.00 0.00 H new ATOM 0 H41 DC A 12 9.765 -4.743 11.524 1.00 0.00 H new ATOM 0 H42 DC A 12 9.276 -6.301 10.849 1.00 0.00 H new ATOM 0 H5 DC A 12 8.938 -3.924 13.650 1.00 0.00 H new ATOM 0 H6 DC A 12 7.437 -4.398 15.525 1.00 0.00 H new TER 374 DC A 12 ATOM 375 O5' DG B 13 7.369 -15.591 5.221 1.00 0.00 O ATOM 376 C5' DG B 13 7.006 -15.812 6.565 1.00 0.00 C ATOM 377 C4' DG B 13 6.331 -14.564 7.134 1.00 0.00 C ATOM 378 O4' DG B 13 7.264 -13.553 7.464 1.00 0.00 O ATOM 379 C3' DG B 13 5.296 -13.914 6.208 1.00 0.00 C ATOM 380 O3' DG B 13 4.744 -14.738 5.199 1.00 0.00 O ATOM 381 C2' DG B 13 5.992 -12.638 5.758 1.00 0.00 C ATOM 382 C1' DG B 13 6.624 -12.347 7.119 1.00 0.00 C ATOM 383 N9 DG B 13 7.429 -11.127 7.334 1.00 0.00 N ATOM 384 C8 DG B 13 8.151 -10.349 6.472 1.00 0.00 C ATOM 385 N7 DG B 13 8.746 -9.333 7.041 1.00 0.00 N ATOM 386 C5 DG B 13 8.336 -9.410 8.373 1.00 0.00 C ATOM 387 C6 DG B 13 8.568 -8.543 9.486 1.00 0.00 C ATOM 388 O6 DG B 13 9.352 -7.598 9.565 1.00 0.00 O ATOM 389 N1 DG B 13 7.777 -8.858 10.585 1.00 0.00 N ATOM 390 C2 DG B 13 6.923 -9.931 10.637 1.00 0.00 C ATOM 391 N2 DG B 13 6.207 -10.140 11.733 1.00 0.00 N ATOM 392 N3 DG B 13 6.763 -10.798 9.638 1.00 0.00 N ATOM 393 C4 DG B 13 7.480 -10.469 8.535 1.00 0.00 C ATOM 0 H5' DG B 13 7.890 -16.058 7.154 1.00 0.00 H new ATOM 0 H5'' DG B 13 6.330 -16.664 6.633 1.00 0.00 H new ATOM 0 H4' DG B 13 5.823 -14.948 8.019 1.00 0.00 H new ATOM 0 H3' DG B 13 4.357 -13.702 6.720 1.00 0.00 H new ATOM 0 H2' DG B 13 6.719 -12.793 4.961 1.00 0.00 H new ATOM 0 H2'' DG B 13 5.307 -11.862 5.418 1.00 0.00 H new ATOM 0 HO5' DG B 13 6.591 -15.268 4.721 1.00 0.00 H new ATOM 0 H1' DG B 13 5.827 -12.046 7.799 1.00 0.00 H new ATOM 0 H8 DG B 13 8.223 -10.555 5.414 1.00 0.00 H new ATOM 0 H1 DG B 13 7.835 -8.253 11.404 1.00 0.00 H new ATOM 0 H21 DG B 13 5.569 -10.935 11.782 1.00 0.00 H new ATOM 0 H22 DG B 13 6.294 -9.506 12.527 1.00 0.00 H new ATOM 406 P DC B 14 3.288 -14.396 4.557 1.00 0.00 P ATOM 407 OP1 DC B 14 2.691 -15.664 4.085 1.00 0.00 O ATOM 408 OP2 DC B 14 3.469 -13.274 3.614 1.00 0.00 O ATOM 409 O5' DC B 14 2.402 -13.845 5.800 1.00 0.00 O ATOM 410 C5' DC B 14 2.068 -14.660 6.914 1.00 0.00 C ATOM 411 C4' DC B 14 1.710 -13.792 8.136 1.00 0.00 C ATOM 412 O4' DC B 14 2.737 -12.839 8.377 1.00 0.00 O ATOM 413 C3' DC B 14 0.384 -13.036 7.986 1.00 0.00 C ATOM 414 O3' DC B 14 -0.463 -13.354 9.080 1.00 0.00 O ATOM 415 C2' DC B 14 0.815 -11.570 7.999 1.00 0.00 C ATOM 416 C1' DC B 14 2.172 -11.578 8.696 1.00 0.00 C ATOM 417 N1 DC B 14 3.078 -10.505 8.190 1.00 0.00 N ATOM 418 C2 DC B 14 3.600 -9.542 9.058 1.00 0.00 C ATOM 419 O2 DC B 14 3.216 -9.450 10.222 1.00 0.00 O ATOM 420 N3 DC B 14 4.556 -8.673 8.606 1.00 0.00 N ATOM 421 C4 DC B 14 4.956 -8.733 7.331 1.00 0.00 C ATOM 422 N4 DC B 14 5.979 -7.988 6.931 1.00 0.00 N ATOM 423 C5 DC B 14 4.401 -9.665 6.408 1.00 0.00 C ATOM 424 C6 DC B 14 3.470 -10.522 6.880 1.00 0.00 C ATOM 0 H5' DC B 14 2.906 -15.312 7.158 1.00 0.00 H new ATOM 0 H5'' DC B 14 1.226 -15.304 6.660 1.00 0.00 H new ATOM 0 H4' DC B 14 1.606 -14.486 8.970 1.00 0.00 H new ATOM 0 H3' DC B 14 -0.180 -13.285 7.087 1.00 0.00 H new ATOM 0 H2' DC B 14 0.890 -11.169 6.988 1.00 0.00 H new ATOM 0 H2'' DC B 14 0.097 -10.950 8.535 1.00 0.00 H new ATOM 0 H1' DC B 14 2.051 -11.405 9.765 1.00 0.00 H new ATOM 0 H41 DC B 14 6.290 -8.028 5.960 1.00 0.00 H new ATOM 0 H42 DC B 14 6.454 -7.376 7.594 1.00 0.00 H new ATOM 0 H5 DC B 14 4.712 -9.686 5.374 1.00 0.00 H new ATOM 0 H6 DC B 14 3.024 -11.239 6.206 1.00 0.00 H new ATOM 436 P DA B 15 -2.029 -12.946 9.117 1.00 0.00 P ATOM 437 OP1 DA B 15 -2.699 -13.791 10.130 1.00 0.00 O ATOM 438 OP2 DA B 15 -2.537 -12.926 7.728 1.00 0.00 O ATOM 439 O5' DA B 15 -2.007 -11.430 9.665 1.00 0.00 O ATOM 440 C5' DA B 15 -1.785 -11.148 11.035 1.00 0.00 C ATOM 441 C4' DA B 15 -1.642 -9.637 11.262 1.00 0.00 C ATOM 442 O4' DA B 15 -0.474 -9.159 10.617 1.00 0.00 O ATOM 443 C3' DA B 15 -2.834 -8.830 10.723 1.00 0.00 C ATOM 444 O3' DA B 15 -3.375 -8.042 11.771 1.00 0.00 O ATOM 445 C2' DA B 15 -2.189 -7.989 9.625 1.00 0.00 C ATOM 446 C1' DA B 15 -0.751 -7.867 10.116 1.00 0.00 C ATOM 447 N9 DA B 15 0.189 -7.560 9.018 1.00 0.00 N ATOM 448 C8 DA B 15 0.355 -8.240 7.840 1.00 0.00 C ATOM 449 N7 DA B 15 1.370 -7.848 7.122 1.00 0.00 N ATOM 450 C5 DA B 15 1.871 -6.783 7.856 1.00 0.00 C ATOM 451 C6 DA B 15 2.929 -5.891 7.632 1.00 0.00 C ATOM 452 N6 DA B 15 3.687 -5.970 6.541 1.00 0.00 N ATOM 453 N1 DA B 15 3.157 -4.907 8.515 1.00 0.00 N ATOM 454 C2 DA B 15 2.374 -4.817 9.587 1.00 0.00 C ATOM 455 N3 DA B 15 1.357 -5.602 9.925 1.00 0.00 N ATOM 456 C4 DA B 15 1.149 -6.578 9.002 1.00 0.00 C ATOM 0 H5' DA B 15 -0.884 -11.659 11.375 1.00 0.00 H new ATOM 0 H5'' DA B 15 -2.613 -11.533 11.630 1.00 0.00 H new ATOM 0 H4' DA B 15 -1.592 -9.498 12.342 1.00 0.00 H new ATOM 0 H3' DA B 15 -3.667 -9.423 10.346 1.00 0.00 H new ATOM 0 H2' DA B 15 -2.247 -8.476 8.652 1.00 0.00 H new ATOM 0 H2'' DA B 15 -2.668 -7.015 9.523 1.00 0.00 H new ATOM 0 H1' DA B 15 -0.637 -7.063 10.843 1.00 0.00 H new ATOM 0 H8 DA B 15 -0.303 -9.038 7.531 1.00 0.00 H new ATOM 0 H61 DA B 15 4.451 -5.309 6.402 1.00 0.00 H new ATOM 0 H62 DA B 15 3.504 -6.692 5.844 1.00 0.00 H new ATOM 0 H2 DA B 15 2.592 -4.006 10.266 1.00 0.00 H new ATOM 468 P DG B 16 -4.669 -7.094 11.570 1.00 0.00 P ATOM 469 OP1 DG B 16 -5.427 -7.068 12.841 1.00 0.00 O ATOM 470 OP2 DG B 16 -5.347 -7.478 10.312 1.00 0.00 O ATOM 471 O5' DG B 16 -4.001 -5.642 11.358 1.00 0.00 O ATOM 472 C5' DG B 16 -3.393 -4.959 12.439 1.00 0.00 C ATOM 473 C4' DG B 16 -2.784 -3.630 11.981 1.00 0.00 C ATOM 474 O4' DG B 16 -1.755 -3.880 11.040 1.00 0.00 O ATOM 475 C3' DG B 16 -3.802 -2.687 11.321 1.00 0.00 C ATOM 476 O3' DG B 16 -3.704 -1.413 11.937 1.00 0.00 O ATOM 477 C2' DG B 16 -3.336 -2.677 9.870 1.00 0.00 C ATOM 478 C1' DG B 16 -1.836 -2.896 10.031 1.00 0.00 C ATOM 479 N9 DG B 16 -1.225 -3.412 8.791 1.00 0.00 N ATOM 480 C8 DG B 16 -1.565 -4.540 8.096 1.00 0.00 C ATOM 481 N7 DG B 16 -0.771 -4.822 7.101 1.00 0.00 N ATOM 482 C5 DG B 16 0.145 -3.772 7.116 1.00 0.00 C ATOM 483 C6 DG B 16 1.240 -3.492 6.248 1.00 0.00 C ATOM 484 O6 DG B 16 1.619 -4.145 5.278 1.00 0.00 O ATOM 485 N1 DG B 16 1.905 -2.322 6.578 1.00 0.00 N ATOM 486 C2 DG B 16 1.537 -1.487 7.608 1.00 0.00 C ATOM 487 N2 DG B 16 2.166 -0.324 7.745 1.00 0.00 N ATOM 488 N3 DG B 16 0.507 -1.734 8.420 1.00 0.00 N ATOM 489 C4 DG B 16 -0.141 -2.892 8.131 1.00 0.00 C ATOM 0 H5' DG B 16 -2.617 -5.586 12.878 1.00 0.00 H new ATOM 0 H5'' DG B 16 -4.133 -4.774 13.218 1.00 0.00 H new ATOM 0 H4' DG B 16 -2.407 -3.143 12.880 1.00 0.00 H new ATOM 0 H3' DG B 16 -4.848 -2.980 11.410 1.00 0.00 H new ATOM 0 H2' DG B 16 -3.805 -3.467 9.283 1.00 0.00 H new ATOM 0 H2'' DG B 16 -3.562 -1.733 9.373 1.00 0.00 H new ATOM 0 H1' DG B 16 -1.311 -1.971 10.268 1.00 0.00 H new ATOM 0 H8 DG B 16 -2.421 -5.147 8.351 1.00 0.00 H new ATOM 0 H1 DG B 16 2.720 -2.063 6.022 1.00 0.00 H new ATOM 0 H21 DG B 16 1.908 0.309 8.502 1.00 0.00 H new ATOM 0 H22 DG B 16 2.907 -0.065 7.093 1.00 0.00 H new ATOM 501 P DG B 17 -4.633 -0.164 11.512 1.00 0.00 P ATOM 502 OP1 DG B 17 -4.885 0.656 12.715 1.00 0.00 O ATOM 503 OP2 DG B 17 -5.774 -0.664 10.713 1.00 0.00 O ATOM 504 O5' DG B 17 -3.656 0.669 10.534 1.00 0.00 O ATOM 505 C5' DG B 17 -2.523 1.346 11.050 1.00 0.00 C ATOM 506 C4' DG B 17 -1.776 2.098 9.942 1.00 0.00 C ATOM 507 O4' DG B 17 -1.249 1.182 9.000 1.00 0.00 O ATOM 508 C3' DG B 17 -2.660 3.103 9.187 1.00 0.00 C ATOM 509 O3' DG B 17 -1.972 4.339 9.110 1.00 0.00 O ATOM 510 C2' DG B 17 -2.821 2.423 7.835 1.00 0.00 C ATOM 511 C1' DG B 17 -1.493 1.684 7.704 1.00 0.00 C ATOM 512 N9 DG B 17 -1.601 0.535 6.779 1.00 0.00 N ATOM 513 C8 DG B 17 -2.507 -0.491 6.821 1.00 0.00 C ATOM 514 N7 DG B 17 -2.282 -1.449 5.968 1.00 0.00 N ATOM 515 C5 DG B 17 -1.135 -1.023 5.303 1.00 0.00 C ATOM 516 C6 DG B 17 -0.378 -1.652 4.274 1.00 0.00 C ATOM 517 O6 DG B 17 -0.586 -2.733 3.734 1.00 0.00 O ATOM 518 N1 DG B 17 0.721 -0.907 3.882 1.00 0.00 N ATOM 519 C2 DG B 17 1.051 0.316 4.406 1.00 0.00 C ATOM 520 N2 DG B 17 2.081 0.958 3.877 1.00 0.00 N ATOM 521 N3 DG B 17 0.342 0.928 5.357 1.00 0.00 N ATOM 522 C4 DG B 17 -0.727 0.201 5.777 1.00 0.00 C ATOM 0 H5' DG B 17 -1.852 0.629 11.523 1.00 0.00 H new ATOM 0 H5'' DG B 17 -2.836 2.048 11.823 1.00 0.00 H new ATOM 0 H4' DG B 17 -0.982 2.654 10.441 1.00 0.00 H new ATOM 0 H3' DG B 17 -3.623 3.333 9.642 1.00 0.00 H new ATOM 0 H2' DG B 17 -3.672 1.742 7.817 1.00 0.00 H new ATOM 0 H2'' DG B 17 -2.971 3.142 7.030 1.00 0.00 H new ATOM 0 H1' DG B 17 -0.712 2.341 7.320 1.00 0.00 H new ATOM 0 H8 DG B 17 -3.341 -0.505 7.507 1.00 0.00 H new ATOM 0 H1 DG B 17 1.324 -1.293 3.156 1.00 0.00 H new ATOM 0 H21 DG B 17 2.355 1.870 4.242 1.00 0.00 H new ATOM 0 H22 DG B 17 2.600 0.540 3.105 1.00 0.00 H new ATOM 534 P DA B 18 -2.581 5.628 8.358 1.00 0.00 P ATOM 535 OP1 DA B 18 -2.237 6.830 9.151 1.00 0.00 O ATOM 536 OP2 DA B 18 -3.989 5.359 7.997 1.00 0.00 O ATOM 537 O5' DA B 18 -1.705 5.655 7.013 1.00 0.00 O ATOM 538 C5' DA B 18 -0.325 5.966 7.063 1.00 0.00 C ATOM 539 C4' DA B 18 0.277 5.969 5.654 1.00 0.00 C ATOM 540 O4' DA B 18 0.151 4.679 5.084 1.00 0.00 O ATOM 541 C3' DA B 18 -0.399 6.968 4.709 1.00 0.00 C ATOM 542 O3' DA B 18 0.612 7.630 3.965 1.00 0.00 O ATOM 543 C2' DA B 18 -1.249 6.059 3.834 1.00 0.00 C ATOM 544 C1' DA B 18 -0.382 4.808 3.782 1.00 0.00 C ATOM 545 N9 DA B 18 -1.161 3.597 3.470 1.00 0.00 N ATOM 546 C8 DA B 18 -2.292 3.159 4.108 1.00 0.00 C ATOM 547 N7 DA B 18 -2.688 1.968 3.760 1.00 0.00 N ATOM 548 C5 DA B 18 -1.745 1.599 2.808 1.00 0.00 C ATOM 549 C6 DA B 18 -1.572 0.425 2.065 1.00 0.00 C ATOM 550 N6 DA B 18 -2.394 -0.605 2.234 1.00 0.00 N ATOM 551 N1 DA B 18 -0.549 0.335 1.197 1.00 0.00 N ATOM 552 C2 DA B 18 0.276 1.375 1.083 1.00 0.00 C ATOM 553 N3 DA B 18 0.222 2.542 1.721 1.00 0.00 N ATOM 554 C4 DA B 18 -0.821 2.589 2.598 1.00 0.00 C ATOM 0 H5' DA B 18 0.195 5.238 7.685 1.00 0.00 H new ATOM 0 H5'' DA B 18 -0.183 6.942 7.527 1.00 0.00 H new ATOM 0 H4' DA B 18 1.320 6.264 5.767 1.00 0.00 H new ATOM 0 H3' DA B 18 -0.991 7.747 5.189 1.00 0.00 H new ATOM 0 H2' DA B 18 -2.228 5.864 4.272 1.00 0.00 H new ATOM 0 H2'' DA B 18 -1.421 6.483 2.844 1.00 0.00 H new ATOM 0 H1' DA B 18 0.373 4.904 3.002 1.00 0.00 H new ATOM 0 H8 DA B 18 -2.814 3.755 4.842 1.00 0.00 H new ATOM 0 H61 DA B 18 -2.262 -1.457 1.689 1.00 0.00 H new ATOM 0 H62 DA B 18 -3.157 -0.543 2.908 1.00 0.00 H new ATOM 0 H2 DA B 18 1.091 1.256 0.385 1.00 0.00 H new ATOM 566 P DA B 19 0.294 8.827 2.929 1.00 0.00 P ATOM 567 OP1 DA B 19 1.478 9.711 2.887 1.00 0.00 O ATOM 568 OP2 DA B 19 -1.036 9.390 3.261 1.00 0.00 O ATOM 569 O5' DA B 19 0.177 8.076 1.507 1.00 0.00 O ATOM 570 C5' DA B 19 1.323 7.793 0.718 1.00 0.00 C ATOM 571 C4' DA B 19 0.904 7.194 -0.622 1.00 0.00 C ATOM 572 O4' DA B 19 0.324 5.921 -0.405 1.00 0.00 O ATOM 573 C3' DA B 19 -0.089 8.069 -1.386 1.00 0.00 C ATOM 574 O3' DA B 19 0.515 8.483 -2.598 1.00 0.00 O ATOM 575 C2' DA B 19 -1.284 7.130 -1.566 1.00 0.00 C ATOM 576 C1' DA B 19 -0.734 5.725 -1.316 1.00 0.00 C ATOM 577 N9 DA B 19 -1.725 4.828 -0.677 1.00 0.00 N ATOM 578 C8 DA B 19 -2.466 5.082 0.448 1.00 0.00 C ATOM 579 N7 DA B 19 -3.192 4.084 0.865 1.00 0.00 N ATOM 580 C5 DA B 19 -2.916 3.094 -0.071 1.00 0.00 C ATOM 581 C6 DA B 19 -3.378 1.777 -0.209 1.00 0.00 C ATOM 582 N6 DA B 19 -4.254 1.261 0.651 1.00 0.00 N ATOM 583 N1 DA B 19 -2.886 1.006 -1.192 1.00 0.00 N ATOM 584 C2 DA B 19 -1.993 1.541 -2.020 1.00 0.00 C ATOM 585 N3 DA B 19 -1.497 2.775 -2.020 1.00 0.00 N ATOM 586 C4 DA B 19 -2.008 3.520 -1.003 1.00 0.00 C ATOM 0 H5' DA B 19 1.976 7.099 1.247 1.00 0.00 H new ATOM 0 H5'' DA B 19 1.895 8.706 0.554 1.00 0.00 H new ATOM 0 H4' DA B 19 1.805 7.119 -1.231 1.00 0.00 H new ATOM 0 H3' DA B 19 -0.395 8.994 -0.896 1.00 0.00 H new ATOM 0 H2' DA B 19 -2.083 7.371 -0.864 1.00 0.00 H new ATOM 0 H2'' DA B 19 -1.704 7.215 -2.568 1.00 0.00 H new ATOM 0 H1' DA B 19 -0.447 5.259 -2.259 1.00 0.00 H new ATOM 0 H8 DA B 19 -2.449 6.038 0.951 1.00 0.00 H new ATOM 0 H61 DA B 19 -4.578 0.301 0.534 1.00 0.00 H new ATOM 0 H62 DA B 19 -4.600 1.826 1.427 1.00 0.00 H new ATOM 0 H2 DA B 19 -1.622 0.887 -2.795 1.00 0.00 H new ATOM 598 P DG B 20 -0.223 9.459 -3.649 1.00 0.00 P ATOM 599 OP1 DG B 20 0.814 10.171 -4.429 1.00 0.00 O ATOM 600 OP2 DG B 20 -1.278 10.218 -2.942 1.00 0.00 O ATOM 601 O5' DG B 20 -0.927 8.382 -4.613 1.00 0.00 O ATOM 602 C5' DG B 20 -0.142 7.521 -5.413 1.00 0.00 C ATOM 603 C4' DG B 20 -1.025 6.505 -6.138 1.00 0.00 C ATOM 604 O4' DG B 20 -1.646 5.621 -5.216 1.00 0.00 O ATOM 605 C3' DG B 20 -2.129 7.199 -6.945 1.00 0.00 C ATOM 606 O3' DG B 20 -2.087 6.710 -8.270 1.00 0.00 O ATOM 607 C2' DG B 20 -3.386 6.777 -6.192 1.00 0.00 C ATOM 608 C1' DG B 20 -2.989 5.417 -5.623 1.00 0.00 C ATOM 609 N9 DG B 20 -3.808 5.034 -4.449 1.00 0.00 N ATOM 610 C8 DG B 20 -4.024 5.769 -3.313 1.00 0.00 C ATOM 611 N7 DG B 20 -4.640 5.133 -2.363 1.00 0.00 N ATOM 612 C5 DG B 20 -4.911 3.893 -2.927 1.00 0.00 C ATOM 613 C6 DG B 20 -5.607 2.775 -2.381 1.00 0.00 C ATOM 614 O6 DG B 20 -6.125 2.675 -1.273 1.00 0.00 O ATOM 615 N1 DG B 20 -5.674 1.703 -3.253 1.00 0.00 N ATOM 616 C2 DG B 20 -5.187 1.724 -4.536 1.00 0.00 C ATOM 617 N2 DG B 20 -5.458 0.676 -5.306 1.00 0.00 N ATOM 618 N3 DG B 20 -4.548 2.772 -5.072 1.00 0.00 N ATOM 619 C4 DG B 20 -4.430 3.824 -4.214 1.00 0.00 C ATOM 0 H5' DG B 20 0.585 7.000 -4.790 1.00 0.00 H new ATOM 0 H5'' DG B 20 0.422 8.105 -6.140 1.00 0.00 H new ATOM 0 H4' DG B 20 -0.372 5.948 -6.810 1.00 0.00 H new ATOM 0 H3' DG B 20 -2.054 8.283 -7.028 1.00 0.00 H new ATOM 0 H2' DG B 20 -3.645 7.486 -5.406 1.00 0.00 H new ATOM 0 H2'' DG B 20 -4.250 6.704 -6.853 1.00 0.00 H new ATOM 0 H1' DG B 20 -3.127 4.618 -6.351 1.00 0.00 H new ATOM 0 H8 DG B 20 -3.707 6.797 -3.215 1.00 0.00 H new ATOM 0 H1 DG B 20 -6.113 0.844 -2.922 1.00 0.00 H new ATOM 0 H21 DG B 20 -5.117 0.647 -6.267 1.00 0.00 H new ATOM 0 H22 DG B 20 -6.007 -0.100 -4.936 1.00 0.00 H new ATOM 631 P DG B 21 -2.991 7.336 -9.447 1.00 0.00 P ATOM 632 OP1 DG B 21 -2.150 7.474 -10.655 1.00 0.00 O ATOM 633 OP2 DG B 21 -3.732 8.502 -8.919 1.00 0.00 O ATOM 634 O5' DG B 21 -4.039 6.147 -9.687 1.00 0.00 O ATOM 635 C5' DG B 21 -3.605 4.921 -10.237 1.00 0.00 C ATOM 636 C4' DG B 21 -4.772 3.942 -10.342 1.00 0.00 C ATOM 637 O4' DG B 21 -5.250 3.627 -9.047 1.00 0.00 O ATOM 638 C3' DG B 21 -5.937 4.514 -11.151 1.00 0.00 C ATOM 639 O3' DG B 21 -6.337 3.542 -12.094 1.00 0.00 O ATOM 640 C2' DG B 21 -6.987 4.776 -10.074 1.00 0.00 C ATOM 641 C1' DG B 21 -6.660 3.723 -9.021 1.00 0.00 C ATOM 642 N9 DG B 21 -7.045 4.136 -7.651 1.00 0.00 N ATOM 643 C8 DG B 21 -6.716 5.314 -7.030 1.00 0.00 C ATOM 644 N7 DG B 21 -7.037 5.370 -5.772 1.00 0.00 N ATOM 645 C5 DG B 21 -7.630 4.138 -5.531 1.00 0.00 C ATOM 646 C6 DG B 21 -8.162 3.604 -4.323 1.00 0.00 C ATOM 647 O6 DG B 21 -8.156 4.118 -3.207 1.00 0.00 O ATOM 648 N1 DG B 21 -8.716 2.345 -4.485 1.00 0.00 N ATOM 649 C2 DG B 21 -8.668 1.636 -5.657 1.00 0.00 C ATOM 650 N2 DG B 21 -9.141 0.397 -5.625 1.00 0.00 N ATOM 651 N3 DG B 21 -8.130 2.101 -6.793 1.00 0.00 N ATOM 652 C4 DG B 21 -7.639 3.367 -6.671 1.00 0.00 C ATOM 0 H5' DG B 21 -2.819 4.494 -9.615 1.00 0.00 H new ATOM 0 H5'' DG B 21 -3.174 5.090 -11.224 1.00 0.00 H new ATOM 0 H4' DG B 21 -4.397 3.054 -10.851 1.00 0.00 H new ATOM 0 H3' DG B 21 -5.725 5.416 -11.725 1.00 0.00 H new ATOM 0 H2' DG B 21 -6.911 5.787 -9.673 1.00 0.00 H new ATOM 0 H2'' DG B 21 -8.000 4.661 -10.460 1.00 0.00 H new ATOM 0 H1' DG B 21 -7.196 2.800 -9.242 1.00 0.00 H new ATOM 0 H8 DG B 21 -6.229 6.129 -7.545 1.00 0.00 H new ATOM 0 H1 DG B 21 -9.187 1.921 -3.686 1.00 0.00 H new ATOM 0 H21 DG B 21 -9.130 -0.175 -6.469 1.00 0.00 H new ATOM 0 H22 DG B 21 -9.516 0.017 -4.756 1.00 0.00 H new ATOM 664 P DT B 22 -7.482 3.832 -13.196 1.00 0.00 P ATOM 665 OP1 DT B 22 -7.038 3.278 -14.494 1.00 0.00 O ATOM 666 OP2 DT B 22 -7.908 5.244 -13.097 1.00 0.00 O ATOM 667 O5' DT B 22 -8.664 2.907 -12.623 1.00 0.00 O ATOM 668 C5' DT B 22 -8.482 1.508 -12.537 1.00 0.00 C ATOM 669 C4' DT B 22 -9.639 0.810 -11.863 1.00 0.00 C ATOM 670 O4' DT B 22 -9.696 1.294 -10.536 1.00 0.00 O ATOM 671 C3' DT B 22 -10.977 1.110 -12.561 1.00 0.00 C ATOM 672 O3' DT B 22 -11.742 -0.075 -12.694 1.00 0.00 O ATOM 673 C2' DT B 22 -11.608 2.102 -11.590 1.00 0.00 C ATOM 674 C1' DT B 22 -11.027 1.642 -10.253 1.00 0.00 C ATOM 675 N1 DT B 22 -11.040 2.678 -9.182 1.00 0.00 N ATOM 676 C2 DT B 22 -11.505 2.322 -7.920 1.00 0.00 C ATOM 677 O2 DT B 22 -12.058 1.257 -7.702 1.00 0.00 O ATOM 678 N3 DT B 22 -11.342 3.226 -6.893 1.00 0.00 N ATOM 679 C4 DT B 22 -10.806 4.492 -7.054 1.00 0.00 C ATOM 680 C5 DT B 22 -10.420 4.837 -8.408 1.00 0.00 C ATOM 681 C6 DT B 22 -10.537 3.933 -9.408 1.00 0.00 C ATOM 682 O4 DT B 22 -10.656 5.226 -6.087 1.00 0.00 O ATOM 695 C7 DT B 22 -9.939 6.248 -8.696 1.00 0.00 C ATOM 0 H5' DT B 22 -7.565 1.298 -11.986 1.00 0.00 H new ATOM 0 H5'' DT B 22 -8.351 1.100 -13.539 1.00 0.00 H new ATOM 0 H4' DT B 22 -9.484 -0.268 -11.905 1.00 0.00 H new ATOM 0 H3' DT B 22 -10.891 1.498 -13.576 1.00 0.00 H new ATOM 0 H2' DT B 22 -11.335 3.131 -11.822 1.00 0.00 H new ATOM 0 H2'' DT B 22 -12.697 2.050 -11.602 1.00 0.00 H new ATOM 0 H1' DT B 22 -11.636 0.826 -9.863 1.00 0.00 H new ATOM 0 H3 DT B 22 -11.634 2.945 -5.957 1.00 0.00 H new ATOM 0 H71 DT B 22 -10.422 6.944 -8.010 1.00 0.00 H new ATOM 0 H72 DT B 22 -8.858 6.298 -8.563 1.00 0.00 H new ATOM 0 H73 DT B 22 -10.191 6.516 -9.722 1.00 0.00 H new ATOM 0 H6 DT B 22 -10.227 4.206 -10.406 1.00 0.00 H new ATOM 696 P DG B 23 -13.211 -0.105 -13.371 1.00 0.00 P ATOM 697 OP1 DG B 23 -13.433 -1.463 -13.915 1.00 0.00 O ATOM 698 OP2 DG B 23 -13.357 1.077 -14.249 1.00 0.00 O ATOM 699 O5' DG B 23 -14.189 0.087 -12.102 1.00 0.00 O ATOM 700 C5' DG B 23 -14.322 -0.936 -11.132 1.00 0.00 C ATOM 701 C4' DG B 23 -15.218 -0.498 -9.977 1.00 0.00 C ATOM 702 O4' DG B 23 -14.605 0.574 -9.284 1.00 0.00 O ATOM 703 C3' DG B 23 -16.610 -0.032 -10.420 1.00 0.00 C ATOM 704 O3' DG B 23 -17.575 -0.692 -9.618 1.00 0.00 O ATOM 705 C2' DG B 23 -16.527 1.463 -10.136 1.00 0.00 C ATOM 706 C1' DG B 23 -15.618 1.482 -8.912 1.00 0.00 C ATOM 707 N9 DG B 23 -15.014 2.807 -8.666 1.00 0.00 N ATOM 708 C8 DG B 23 -14.336 3.583 -9.563 1.00 0.00 C ATOM 709 N7 DG B 23 -13.796 4.651 -9.050 1.00 0.00 N ATOM 710 C5 DG B 23 -14.182 4.603 -7.713 1.00 0.00 C ATOM 711 C6 DG B 23 -13.921 5.513 -6.646 1.00 0.00 C ATOM 712 O6 DG B 23 -13.213 6.515 -6.659 1.00 0.00 O ATOM 713 N1 DG B 23 -14.567 5.167 -5.474 1.00 0.00 N ATOM 714 C2 DG B 23 -15.331 4.039 -5.316 1.00 0.00 C ATOM 715 N2 DG B 23 -15.899 3.839 -4.132 1.00 0.00 N ATOM 716 N3 DG B 23 -15.545 3.149 -6.294 1.00 0.00 N ATOM 717 C4 DG B 23 -14.950 3.491 -7.470 1.00 0.00 C ATOM 0 H5' DG B 23 -13.338 -1.205 -10.749 1.00 0.00 H new ATOM 0 H5'' DG B 23 -14.738 -1.829 -11.598 1.00 0.00 H new ATOM 0 H4' DG B 23 -15.345 -1.377 -9.345 1.00 0.00 H new ATOM 0 H3' DG B 23 -16.889 -0.242 -11.452 1.00 0.00 H new ATOM 0 H2' DG B 23 -16.102 2.018 -10.973 1.00 0.00 H new ATOM 0 H2'' DG B 23 -17.505 1.897 -9.929 1.00 0.00 H new ATOM 0 H1' DG B 23 -16.158 1.237 -7.997 1.00 0.00 H new ATOM 0 H8 DG B 23 -14.255 3.332 -10.610 1.00 0.00 H new ATOM 0 H1 DG B 23 -14.469 5.792 -4.674 1.00 0.00 H new ATOM 0 H21 DG B 23 -16.475 3.012 -3.976 1.00 0.00 H new ATOM 0 H22 DG B 23 -15.760 4.513 -3.379 1.00 0.00 H new ATOM 729 P DC B 24 -19.163 -0.497 -9.823 1.00 0.00 P ATOM 730 OP1 DC B 24 -19.821 -1.805 -9.610 1.00 0.00 O ATOM 731 OP2 DC B 24 -19.400 0.257 -11.072 1.00 0.00 O ATOM 732 O5' DC B 24 -19.538 0.460 -8.581 1.00 0.00 O ATOM 733 C5' DC B 24 -19.483 -0.023 -7.252 1.00 0.00 C ATOM 734 C4' DC B 24 -19.768 1.103 -6.256 1.00 0.00 C ATOM 735 O4' DC B 24 -18.815 2.129 -6.451 1.00 0.00 O ATOM 736 C3' DC B 24 -21.163 1.725 -6.437 1.00 0.00 C ATOM 737 O3' DC B 24 -21.844 1.777 -5.200 1.00 0.00 O ATOM 738 C2' DC B 24 -20.869 3.144 -6.903 1.00 0.00 C ATOM 739 C1' DC B 24 -19.466 3.379 -6.346 1.00 0.00 C ATOM 740 N1 DC B 24 -18.702 4.376 -7.141 1.00 0.00 N ATOM 741 C2 DC B 24 -18.198 5.508 -6.515 1.00 0.00 C ATOM 742 O2 DC B 24 -18.514 5.787 -5.362 1.00 0.00 O ATOM 743 N3 DC B 24 -17.345 6.328 -7.197 1.00 0.00 N ATOM 744 C4 DC B 24 -17.020 6.048 -8.463 1.00 0.00 C ATOM 745 N4 DC B 24 -16.110 6.812 -9.055 1.00 0.00 N ATOM 746 C5 DC B 24 -17.569 4.922 -9.153 1.00 0.00 C ATOM 747 C6 DC B 24 -18.397 4.117 -8.449 1.00 0.00 C ATOM 0 H5' DC B 24 -18.499 -0.449 -7.055 1.00 0.00 H new ATOM 0 H5'' DC B 24 -20.210 -0.824 -7.121 1.00 0.00 H new ATOM 0 H4' DC B 24 -19.717 0.669 -5.258 1.00 0.00 H new ATOM 0 H3' DC B 24 -21.785 1.157 -7.128 1.00 0.00 H new ATOM 0 H2' DC B 24 -20.896 3.230 -7.989 1.00 0.00 H new ATOM 0 H2'' DC B 24 -21.590 3.860 -6.508 1.00 0.00 H new ATOM 0 HO3' DC B 24 -22.729 2.177 -5.330 1.00 0.00 H new ATOM 0 H1' DC B 24 -19.525 3.763 -5.328 1.00 0.00 H new ATOM 0 H41 DC B 24 -15.838 6.626 -10.021 1.00 0.00 H new ATOM 0 H42 DC B 24 -15.682 7.585 -8.544 1.00 0.00 H new ATOM 0 H5 DC B 24 -17.333 4.724 -10.188 1.00 0.00 H new ATOM 0 H6 DC B 24 -18.827 3.251 -8.930 1.00 0.00 H new TER 760 DC B 24 HETATM 761 C1D CCI B 25 -5.684 -1.433 -12.678 1.00 0.00 C HETATM 762 C2D CCI B 25 -5.452 -0.256 -11.740 1.00 0.00 C HETATM 763 C3D CCI B 25 -4.072 -0.422 -11.081 1.00 0.00 C HETATM 764 C4D CCI B 25 -3.011 -0.445 -12.193 1.00 0.00 C HETATM 765 C5D CCI B 25 -3.377 -1.597 -13.157 1.00 0.00 C HETATM 766 C6D CCI B 25 -2.501 -1.727 -14.398 1.00 0.00 C HETATM 767 OCD CCI B 25 -5.620 -2.678 -12.000 1.00 0.00 O HETATM 768 O2D CCI B 25 -5.454 0.927 -12.518 1.00 0.00 O HETATM 769 O3D CCI B 25 -3.787 0.622 -10.165 1.00 0.00 O HETATM 770 O4D CCI B 25 -1.731 -0.637 -11.591 1.00 0.00 O HETATM 771 OD CCI B 25 -4.688 -1.430 -13.678 1.00 0.00 O HETATM 772 C7D CCI B 25 -4.699 0.672 -9.083 1.00 0.00 C HETATM 773 C4C CCI B 25 -6.560 -2.991 -10.964 1.00 0.00 C HETATM 774 C5C CCI B 25 -7.919 -3.055 -11.266 1.00 0.00 C HETATM 775 C6C CCI B 25 -8.846 -3.030 -10.211 1.00 0.00 C HETATM 776 C1C CCI B 25 -8.392 -2.944 -8.872 1.00 0.00 C HETATM 777 C2C CCI B 25 -7.041 -3.300 -8.614 1.00 0.00 C HETATM 778 I CCI B 25 -3.467 -4.800 -9.477 1.00 0.00 I HETATM 779 O5C CCI B 25 -8.339 -3.098 -12.655 1.00 0.00 O HETATM 780 C8C CCI B 25 -7.774 -4.011 -13.584 1.00 0.00 C HETATM 781 O6C CCI B 25 -10.226 -3.314 -10.515 1.00 0.00 O HETATM 782 C9C CCI B 25 -10.981 -2.410 -11.280 1.00 0.00 C HETATM 783 C7C CCI B 25 -6.618 -3.814 -7.251 1.00 0.00 C HETATM 784 CBC CCI B 25 -9.165 -2.315 -7.863 1.00 0.00 C HETATM 785 OBC CCI B 25 -8.725 -2.115 -6.733 1.00 0.00 O HETATM 786 SBC CCI B 25 -10.815 -1.647 -8.059 1.00 0.00 S HETATM 787 C1B CCI B 25 -14.295 -2.955 -5.360 1.00 0.00 C HETATM 788 C2B CCI B 25 -13.499 -1.701 -4.961 1.00 0.00 C HETATM 789 C3B CCI B 25 -12.738 -1.105 -6.140 1.00 0.00 C HETATM 790 C4B CCI B 25 -11.821 -2.221 -6.659 1.00 0.00 C HETATM 791 C5B CCI B 25 -12.672 -3.443 -7.028 1.00 0.00 C HETATM 792 C6B CCI B 25 -11.838 -4.596 -7.592 1.00 0.00 C HETATM 793 OAB CCI B 25 -14.891 -3.305 -4.077 1.00 0.00 O HETATM 794 O3B CCI B 25 -13.695 -0.747 -7.109 1.00 0.00 O HETATM 795 OB CCI B 25 -13.333 -3.897 -5.860 1.00 0.00 O HETATM 796 C1A CCI B 25 -18.180 -4.509 -1.519 1.00 0.00 C HETATM 797 C2A CCI B 25 -17.216 -5.705 -1.667 1.00 0.00 C HETATM 798 C3A CCI B 25 -16.142 -5.410 -2.721 1.00 0.00 C HETATM 799 C4A CCI B 25 -16.686 -4.725 -3.986 1.00 0.00 C HETATM 800 C5A CCI B 25 -17.628 -3.566 -3.611 1.00 0.00 C HETATM 801 C6A CCI B 25 -18.297 -2.944 -4.842 1.00 0.00 C HETATM 802 ORA CCI B 25 -19.290 -4.813 -0.692 1.00 0.00 O HETATM 803 OEA CCI B 25 -16.485 -5.913 -0.458 1.00 0.00 O HETATM 804 O3A CCI B 25 -15.500 -6.620 -3.080 1.00 0.00 O HETATM 805 NAB CCI B 25 -15.589 -4.233 -4.806 1.00 0.00 N HETATM 806 OA CCI B 25 -18.654 -4.059 -2.775 1.00 0.00 O HETATM 807 CAN CCI B 25 -20.117 -5.831 -1.220 1.00 0.00 C HETATM 808 C1E CCI B 25 -16.893 -7.018 0.335 1.00 0.00 C HETATM 809 C2E CCI B 25 -15.795 -7.319 1.361 1.00 0.00 C HETATM 810 C3E CCI B 25 -15.676 -6.174 2.372 1.00 0.00 C HETATM 811 C4E CCI B 25 -17.049 -5.935 3.004 1.00 0.00 C HETATM 812 C5E CCI B 25 -18.066 -5.662 1.891 1.00 0.00 C HETATM 813 O3E CCI B 25 -14.805 -6.477 3.454 1.00 0.00 O HETATM 814 C6E CCI B 25 -13.441 -6.606 3.089 1.00 0.00 C HETATM 815 N4E CCI B 25 -16.950 -4.842 3.994 1.00 0.00 N HETATM 816 C7E CCI B 25 -18.133 -4.644 4.861 1.00 0.00 C HETATM 817 C8E CCI B 25 -17.873 -3.588 5.941 1.00 0.00 C HETATM 818 OE CCI B 25 -18.119 -6.769 1.001 1.00 0.00 O HETATM 819 C3C CCI B 25 -6.111 -3.306 -9.677 1.00 0.00 C HETATM 0 HOD2 CCI B 25 -5.083 0.736 -13.405 1.00 0.00 H new HETATM 0 HOB3 CCI B 25 -13.364 0.015 -7.629 1.00 0.00 H new HETATM 0 HOA3 CCI B 25 -14.730 -6.769 -2.492 1.00 0.00 H new HETATM 0 HNE2 CCI B 25 -16.117 -4.259 4.075 1.00 0.00 H new HETATM 0 HAN3 CCI B 25 -20.505 -5.518 -2.189 1.00 0.00 H new HETATM 0 HAN2 CCI B 25 -19.536 -6.746 -1.340 1.00 0.00 H new HETATM 0 HAN1 CCI B 25 -20.948 -6.015 -0.539 1.00 0.00 H new HETATM 0 H9C3 CCI B 25 -11.018 -1.446 -10.772 1.00 0.00 H new HETATM 0 H9C2 CCI B 25 -10.518 -2.287 -12.259 1.00 0.00 H new HETATM 0 H9C1 CCI B 25 -11.993 -2.795 -11.403 1.00 0.00 H new HETATM 0 H8E3 CCI B 25 -17.039 -3.905 6.566 1.00 0.00 H new HETATM 0 H8E2 CCI B 25 -17.631 -2.636 5.468 1.00 0.00 H new HETATM 0 H8E1 CCI B 25 -18.764 -3.471 6.557 1.00 0.00 H new HETATM 0 H8C3 CCI B 25 -6.701 -3.835 -13.660 1.00 0.00 H new HETATM 0 H8C2 CCI B 25 -7.951 -5.032 -13.245 1.00 0.00 H new HETATM 0 H8C1 CCI B 25 -8.235 -3.868 -14.561 1.00 0.00 H new HETATM 0 H7E2 CCI B 25 -18.984 -4.340 4.252 1.00 0.00 H new HETATM 0 H7E1 CCI B 25 -18.401 -5.589 5.333 1.00 0.00 H new HETATM 0 H7D3 CCI B 25 -5.707 0.832 -9.464 1.00 0.00 H new HETATM 0 H7D2 CCI B 25 -4.664 -0.269 -8.534 1.00 0.00 H new HETATM 0 H7D1 CCI B 25 -4.429 1.491 -8.417 1.00 0.00 H new HETATM 0 H7C3 CCI B 25 -6.312 -4.857 -7.334 1.00 0.00 H new HETATM 0 H7C2 CCI B 25 -5.783 -3.219 -6.881 1.00 0.00 H new HETATM 0 H7C1 CCI B 25 -7.455 -3.736 -6.557 1.00 0.00 H new HETATM 0 H6E3 CCI B 25 -13.334 -7.409 2.360 1.00 0.00 H new HETATM 0 H6E2 CCI B 25 -13.091 -5.671 2.652 1.00 0.00 H new HETATM 0 H6E1 CCI B 25 -12.848 -6.837 3.974 1.00 0.00 H new HETATM 0 H6D3 CCI B 25 -2.561 -0.810 -14.983 1.00 0.00 H new HETATM 0 H6D2 CCI B 25 -1.467 -1.899 -14.097 1.00 0.00 H new HETATM 0 H6D1 CCI B 25 -2.847 -2.566 -15.002 1.00 0.00 H new HETATM 0 H6B3 CCI B 25 -11.322 -4.265 -8.493 1.00 0.00 H new HETATM 0 H6B2 CCI B 25 -11.105 -4.912 -6.850 1.00 0.00 H new HETATM 0 H6B1 CCI B 25 -12.492 -5.433 -7.835 1.00 0.00 H new HETATM 0 H6A3 CCI B 25 -17.532 -2.555 -5.514 1.00 0.00 H new HETATM 0 H6A2 CCI B 25 -18.883 -3.703 -5.360 1.00 0.00 H new HETATM 0 H6A1 CCI B 25 -18.952 -2.131 -4.528 1.00 0.00 H new HETATM 0 H5E2 CCI B 25 -19.051 -5.484 2.322 1.00 0.00 H new HETATM 0 H5E1 CCI B 25 -17.788 -4.760 1.346 1.00 0.00 H new HETATM 0 H2E2 CCI B 25 -16.021 -8.250 1.882 1.00 0.00 H new HETATM 0 H2E1 CCI B 25 -14.842 -7.462 0.851 1.00 0.00 H new HETATM 0 H2B2 CCI B 25 -14.181 -0.954 -4.555 1.00 0.00 H new HETATM 0 H2B1 CCI B 25 -12.796 -1.956 -4.168 1.00 0.00 H new HETATM 0 HAB CCI B 25 -15.376 -4.528 -5.759 1.00 0.00 H new HETATM 0 H5D CCI B 25 -3.251 -2.477 -12.526 1.00 0.00 H new HETATM 0 H5B CCI B 25 -13.375 -3.135 -7.802 1.00 0.00 H new HETATM 0 H5A CCI B 25 -17.026 -2.805 -3.114 1.00 0.00 H new HETATM 0 H4E CCI B 25 -17.396 -6.814 3.546 1.00 0.00 H new HETATM 0 H4D CCI B 25 -2.978 0.488 -12.756 1.00 0.00 H new HETATM 0 H4B CCI B 25 -11.122 -2.509 -5.873 1.00 0.00 H new HETATM 0 H4A CCI B 25 -17.251 -5.460 -4.559 1.00 0.00 H new HETATM 0 H3E CCI B 25 -15.289 -5.315 1.823 1.00 0.00 H new HETATM 0 H3D CCI B 25 -4.065 -1.353 -10.513 1.00 0.00 H new HETATM 0 H3B CCI B 25 -12.147 -0.226 -5.883 1.00 0.00 H new HETATM 0 H3A CCI B 25 -15.441 -4.709 -2.268 1.00 0.00 H new HETATM 0 H2D CCI B 25 -6.225 -0.209 -10.973 1.00 0.00 H new HETATM 0 H2A CCI B 25 -17.831 -6.565 -1.934 1.00 0.00 H new HETATM 0 H1E CCI B 25 -17.050 -7.874 -0.321 1.00 0.00 H new HETATM 0 H1D CCI B 25 -6.681 -1.320 -13.103 1.00 0.00 H new HETATM 0 H1B CCI B 25 -15.057 -2.876 -6.135 1.00 0.00 H new HETATM 0 H1A CCI B 25 -17.598 -3.717 -1.048 1.00 0.00 H new HETATM 881 C1 NBU B 26 -0.687 0.102 -12.215 1.00 0.00 C HETATM 882 C2 NBU B 26 -0.660 1.588 -11.815 1.00 0.00 C HETATM 883 C3 NBU B 26 -0.426 1.797 -10.315 1.00 0.00 C HETATM 884 C4 NBU B 26 0.031 3.241 -10.052 1.00 0.00 C HETATM 0 H43 NBU B 26 0.959 3.433 -10.590 1.00 0.00 H new HETATM 0 H42 NBU B 26 -0.737 3.934 -10.395 1.00 0.00 H new HETATM 0 H32 NBU B 26 -1.343 1.590 -9.763 1.00 0.00 H new HETATM 0 H31 NBU B 26 0.328 1.097 -9.955 1.00 0.00 H new HETATM 0 H22 NBU B 26 0.126 2.096 -12.374 1.00 0.00 H new HETATM 0 H21 NBU B 26 -1.604 2.053 -12.099 1.00 0.00 H new HETATM 0 H13 NBU B 26 0.266 -0.361 -11.960 1.00 0.00 H new HETATM 0 H11 NBU B 26 -0.856 0.017 -13.288 1.00 0.00 H new HETATM 893 C1D CCI B 27 1.905 7.257 10.027 1.00 0.00 C HETATM 894 C2D CCI B 27 0.762 6.556 10.772 1.00 0.00 C HETATM 895 C3D CCI B 27 1.236 6.099 12.161 1.00 0.00 C HETATM 896 C4D CCI B 27 1.819 7.306 12.904 1.00 0.00 C HETATM 897 C5D CCI B 27 2.897 7.988 12.053 1.00 0.00 C HETATM 898 C6D CCI B 27 3.411 9.251 12.746 1.00 0.00 C HETATM 899 OCD CCI B 27 2.965 6.362 9.749 1.00 0.00 O HETATM 900 O2D CCI B 27 -0.312 7.465 10.929 1.00 0.00 O HETATM 901 O3D CCI B 27 0.169 5.570 12.948 1.00 0.00 O HETATM 902 O4D CCI B 27 2.395 6.880 14.124 1.00 0.00 O HETATM 903 OD CCI B 27 2.378 8.361 10.786 1.00 0.00 O HETATM 904 C7D CCI B 27 -0.436 4.399 12.428 1.00 0.00 C HETATM 905 C4C CCI B 27 3.206 5.889 8.402 1.00 0.00 C HETATM 906 C5C CCI B 27 3.700 6.759 7.418 1.00 0.00 C HETATM 907 C6C CCI B 27 4.021 6.273 6.136 1.00 0.00 C HETATM 908 C1C CCI B 27 3.740 4.927 5.794 1.00 0.00 C HETATM 909 C2C CCI B 27 3.306 4.049 6.820 1.00 0.00 C HETATM 910 I CCI B 27 2.373 2.566 10.306 1.00 0.00 I HETATM 911 O5C CCI B 27 3.699 8.186 7.657 1.00 0.00 O HETATM 912 C8C CCI B 27 4.682 8.778 8.475 1.00 0.00 C HETATM 913 O6C CCI B 27 4.590 7.211 5.185 1.00 0.00 O HETATM 914 C9C CCI B 27 3.772 8.012 4.355 1.00 0.00 C HETATM 915 C7C CCI B 27 3.243 2.556 6.615 1.00 0.00 C HETATM 916 CBC CCI B 27 3.726 4.492 4.447 1.00 0.00 C HETATM 917 OBC CCI B 27 2.937 3.633 4.064 1.00 0.00 O HETATM 918 SBC CCI B 27 4.833 5.120 3.191 1.00 0.00 S HETATM 919 C1B CCI B 27 3.607 4.400 -1.224 1.00 0.00 C HETATM 920 C2B CCI B 27 3.269 3.237 -0.237 1.00 0.00 C HETATM 921 C3B CCI B 27 3.334 3.685 1.225 1.00 0.00 C HETATM 922 C4B CCI B 27 4.651 4.409 1.514 1.00 0.00 C HETATM 923 C5B CCI B 27 4.811 5.546 0.506 1.00 0.00 C HETATM 924 C6B CCI B 27 6.121 6.321 0.689 1.00 0.00 C HETATM 925 OAB CCI B 27 3.946 4.169 -2.636 1.00 0.00 O HETATM 926 O3B CCI B 27 2.241 4.535 1.472 1.00 0.00 O HETATM 927 OB CCI B 27 4.826 4.985 -0.787 1.00 0.00 O HETATM 928 C1A CCI B 27 0.819 3.038 -6.417 1.00 0.00 C HETATM 929 C2A CCI B 27 1.154 1.775 -5.613 1.00 0.00 C HETATM 930 C3A CCI B 27 1.385 2.141 -4.139 1.00 0.00 C HETATM 931 C4A CCI B 27 2.481 3.205 -4.092 1.00 0.00 C HETATM 932 C5A CCI B 27 2.045 4.423 -4.930 1.00 0.00 C HETATM 933 C6A CCI B 27 3.069 5.562 -4.951 1.00 0.00 C HETATM 934 ORA CCI B 27 0.712 2.661 -7.784 1.00 0.00 O HETATM 935 OEA CCI B 27 0.041 0.909 -5.781 1.00 0.00 O HETATM 936 O3A CCI B 27 1.889 1.038 -3.408 1.00 0.00 O HETATM 937 NAB CCI B 27 2.746 3.538 -2.706 1.00 0.00 N HETATM 938 OA CCI B 27 1.834 4.018 -6.271 1.00 0.00 O HETATM 939 CAN CCI B 27 0.021 3.621 -8.567 1.00 0.00 C HETATM 940 C1E CCI B 27 0.284 -0.467 -5.546 1.00 0.00 C HETATM 941 C2E CCI B 27 -1.022 -1.208 -5.825 1.00 0.00 C HETATM 942 C3E CCI B 27 -1.340 -1.227 -7.323 1.00 0.00 C HETATM 943 C4E CCI B 27 -0.133 -1.807 -8.050 1.00 0.00 C HETATM 944 C5E CCI B 27 1.080 -0.925 -7.744 1.00 0.00 C HETATM 945 O3E CCI B 27 -2.440 -2.065 -7.621 1.00 0.00 O HETATM 946 C6E CCI B 27 -3.590 -1.773 -6.849 1.00 0.00 C HETATM 947 N4E CCI B 27 -0.413 -1.991 -9.496 1.00 0.00 N HETATM 948 C7E CCI B 27 0.646 -2.739 -10.217 1.00 0.00 C HETATM 949 C8E CCI B 27 0.144 -3.381 -11.518 1.00 0.00 C HETATM 950 OE CCI B 27 1.340 -0.971 -6.352 1.00 0.00 O HETATM 951 C3C CCI B 27 3.048 4.532 8.112 1.00 0.00 C HETATM 0 HOD4 CCI B 27 1.949 6.062 14.428 1.00 0.00 H new HETATM 0 HOD2 CCI B 27 -1.064 7.182 10.368 1.00 0.00 H new HETATM 0 HOB3 CCI B 27 1.406 4.034 1.365 1.00 0.00 H new HETATM 0 HOA3 CCI B 27 1.171 0.649 -2.867 1.00 0.00 H new HETATM 0 HNE2 CCI B 27 -1.254 -1.637 -9.951 1.00 0.00 H new HETATM 0 HAN3 CCI B 27 -0.989 3.749 -8.178 1.00 0.00 H new HETATM 0 HAN2 CCI B 27 0.550 4.573 -8.525 1.00 0.00 H new HETATM 0 H9C3 CCI B 27 3.151 7.371 3.729 1.00 0.00 H new HETATM 0 H9C2 CCI B 27 3.134 8.643 4.973 1.00 0.00 H new HETATM 0 H9C1 CCI B 27 4.400 8.640 3.722 1.00 0.00 H new HETATM 0 H8E3 CCI B 27 -0.661 -4.081 -11.292 1.00 0.00 H new HETATM 0 H8E2 CCI B 27 -0.228 -2.605 -12.187 1.00 0.00 H new HETATM 0 H8E1 CCI B 27 0.963 -3.914 -12.000 1.00 0.00 H new HETATM 0 H8C3 CCI B 27 4.628 8.350 9.476 1.00 0.00 H new HETATM 0 H8C2 CCI B 27 5.669 8.589 8.052 1.00 0.00 H new HETATM 0 H8C1 CCI B 27 4.510 9.853 8.530 1.00 0.00 H new HETATM 0 H7E2 CCI B 27 1.470 -2.063 -10.446 1.00 0.00 H new HETATM 0 H7E1 CCI B 27 1.043 -3.516 -9.564 1.00 0.00 H new HETATM 0 H7D3 CCI B 27 -0.851 4.611 11.443 1.00 0.00 H new HETATM 0 H7D2 CCI B 27 0.311 3.610 12.345 1.00 0.00 H new HETATM 0 H7D1 CCI B 27 -1.234 4.075 13.096 1.00 0.00 H new HETATM 0 H7C3 CCI B 27 3.976 2.069 7.258 1.00 0.00 H new HETATM 0 H7C2 CCI B 27 2.245 2.196 6.865 1.00 0.00 H new HETATM 0 H7C1 CCI B 27 3.462 2.322 5.573 1.00 0.00 H new HETATM 0 H6E3 CCI B 27 -3.359 -1.898 -5.791 1.00 0.00 H new HETATM 0 H6E2 CCI B 27 -3.901 -0.745 -7.034 1.00 0.00 H new HETATM 0 H6E1 CCI B 27 -4.397 -2.451 -7.127 1.00 0.00 H new HETATM 0 H6D3 CCI B 27 2.585 9.947 12.893 1.00 0.00 H new HETATM 0 H6D2 CCI B 27 3.840 8.987 13.713 1.00 0.00 H new HETATM 0 H6D1 CCI B 27 4.175 9.721 12.127 1.00 0.00 H new HETATM 0 H6B3 CCI B 27 6.150 6.755 1.688 1.00 0.00 H new HETATM 0 H6B2 CCI B 27 6.965 5.643 0.563 1.00 0.00 H new HETATM 0 H6B1 CCI B 27 6.180 7.116 -0.054 1.00 0.00 H new HETATM 0 H6A3 CCI B 27 3.241 5.916 -3.934 1.00 0.00 H new HETATM 0 H6A2 CCI B 27 4.007 5.200 -5.373 1.00 0.00 H new HETATM 0 H6A1 CCI B 27 2.689 6.382 -5.561 1.00 0.00 H new HETATM 0 H5E2 CCI B 27 1.950 -1.273 -8.302 1.00 0.00 H new HETATM 0 H5E1 CCI B 27 0.889 0.101 -8.058 1.00 0.00 H new HETATM 0 H2E2 CCI B 27 -0.950 -2.230 -5.453 1.00 0.00 H new HETATM 0 H2E1 CCI B 27 -1.838 -0.729 -5.284 1.00 0.00 H new HETATM 0 H2B2 CCI B 27 2.271 2.856 -0.455 1.00 0.00 H new HETATM 0 H2B1 CCI B 27 3.966 2.414 -0.395 1.00 0.00 H new HETATM 0 HAB CCI B 27 2.134 3.333 -1.916 1.00 0.00 H new HETATM 0 H5D CCI B 27 3.710 7.273 11.925 1.00 0.00 H new HETATM 0 H5B CCI B 27 3.983 6.239 0.656 1.00 0.00 H new HETATM 0 H5A CCI B 27 1.137 4.799 -4.459 1.00 0.00 H new HETATM 0 H4E CCI B 27 0.094 -2.811 -7.692 1.00 0.00 H new HETATM 0 H4D CCI B 27 1.015 8.015 13.100 1.00 0.00 H new HETATM 0 H4B CCI B 27 5.418 3.638 1.435 1.00 0.00 H new HETATM 0 H4A CCI B 27 3.411 2.837 -4.526 1.00 0.00 H new HETATM 0 H3E CCI B 27 -1.576 -0.208 -7.631 1.00 0.00 H new HETATM 0 H3D CCI B 27 1.978 5.314 12.015 1.00 0.00 H new HETATM 0 H3B CCI B 27 3.289 2.815 1.880 1.00 0.00 H new HETATM 0 H3A CCI B 27 0.437 2.471 -3.715 1.00 0.00 H new HETATM 0 H2D CCI B 27 0.442 5.686 10.198 1.00 0.00 H new HETATM 0 H2A CCI B 27 2.069 1.290 -5.954 1.00 0.00 H new HETATM 0 H1E CCI B 27 0.603 -0.615 -4.514 1.00 0.00 H new HETATM 0 H1D CCI B 27 1.516 7.618 9.075 1.00 0.00 H new HETATM 0 H1B CCI B 27 2.657 4.934 -1.201 1.00 0.00 H new HETATM 0 H1A CCI B 27 -0.114 3.470 -6.054 1.00 0.00 H new