USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 185 hydrogens (13 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 4 DT H3 : A 4 DT N3 : B 13 EDI C11 :(H bumps) USER MOD Set 1.1: A 4 DT C7 :methyl -30:sc= 0 (180deg=-0.00347) USER MOD Set 1.2: A 5 DT C7 :methyl -30:sc= 0 (180deg=-0.155) USER MOD Single : A 1 DC O5' : rot 180:sc= -0.517 USER MOD Single : A 8 DA O3' : rot 180:sc= 0 USER MOD Single : B 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 9 DT O5' : rot 180:sc=-0.00328 USER MOD Single : B 15 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 16 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 10.977 -2.817 9.383 1.00 0.00 O ATOM 2 C5' DC A 1 10.999 -3.386 10.696 1.00 0.00 C ATOM 3 C4' DC A 1 9.633 -3.895 11.096 1.00 0.00 C ATOM 4 O4' DC A 1 8.771 -2.760 11.353 1.00 0.00 O ATOM 5 C3' DC A 1 8.919 -4.732 10.037 1.00 0.00 C ATOM 6 O3' DC A 1 8.118 -5.748 10.653 1.00 0.00 O ATOM 7 C2' DC A 1 8.041 -3.721 9.323 1.00 0.00 C ATOM 8 C1' DC A 1 7.705 -2.717 10.414 1.00 0.00 C ATOM 9 N1 DC A 1 7.578 -1.327 9.942 1.00 0.00 N ATOM 10 C2 DC A 1 6.387 -0.635 10.185 1.00 0.00 C ATOM 11 O2 DC A 1 5.471 -1.207 10.797 1.00 0.00 O ATOM 12 N3 DC A 1 6.263 0.640 9.751 1.00 0.00 N ATOM 13 C4 DC A 1 7.271 1.223 9.099 1.00 0.00 C ATOM 14 N4 DC A 1 7.106 2.481 8.689 1.00 0.00 N ATOM 15 C5 DC A 1 8.496 0.542 8.838 1.00 0.00 C ATOM 16 C6 DC A 1 8.604 -0.720 9.273 1.00 0.00 C ATOM 0 H5' DC A 1 11.335 -2.638 11.414 1.00 0.00 H new ATOM 0 H5'' DC A 1 11.718 -4.204 10.728 1.00 0.00 H new ATOM 0 H4' DC A 1 9.810 -4.531 11.963 1.00 0.00 H new ATOM 0 H3' DC A 1 9.606 -5.250 9.368 1.00 0.00 H new ATOM 0 H2' DC A 1 8.564 -3.250 8.491 1.00 0.00 H new ATOM 0 H2'' DC A 1 7.144 -4.185 8.914 1.00 0.00 H new ATOM 0 HO5' DC A 1 11.873 -2.495 9.151 1.00 0.00 H new ATOM 0 H1' DC A 1 6.735 -2.994 10.827 1.00 0.00 H new ATOM 0 H41 DC A 1 7.856 2.957 8.188 1.00 0.00 H new ATOM 0 H42 DC A 1 6.229 2.968 8.877 1.00 0.00 H new ATOM 0 H5 DC A 1 9.305 1.025 8.310 1.00 0.00 H new ATOM 0 H6 DC A 1 9.517 -1.267 9.092 1.00 0.00 H new ATOM 29 P DA A 2 7.305 -6.791 9.737 1.00 0.00 P ATOM 30 OP1 DA A 2 7.017 -7.981 10.577 1.00 0.00 O ATOM 31 OP2 DA A 2 8.034 -6.960 8.453 1.00 0.00 O ATOM 32 O5' DA A 2 5.925 -6.051 9.437 1.00 0.00 O ATOM 33 C5' DA A 2 4.994 -5.784 10.487 1.00 0.00 C ATOM 34 C4' DA A 2 3.690 -5.268 9.920 1.00 0.00 C ATOM 35 O4' DA A 2 3.849 -3.867 9.599 1.00 0.00 O ATOM 36 C3' DA A 2 3.207 -5.955 8.636 1.00 0.00 C ATOM 37 O3' DA A 2 1.914 -6.539 8.881 1.00 0.00 O ATOM 38 C2' DA A 2 3.164 -4.837 7.603 1.00 0.00 C ATOM 39 C1' DA A 2 3.106 -3.580 8.436 1.00 0.00 C ATOM 40 N9 DA A 2 3.701 -2.410 7.797 1.00 0.00 N ATOM 41 C8 DA A 2 4.789 -2.396 6.969 1.00 0.00 C ATOM 42 N7 DA A 2 5.129 -1.198 6.559 1.00 0.00 N ATOM 43 C5 DA A 2 4.184 -0.368 7.147 1.00 0.00 C ATOM 44 C6 DA A 2 3.987 1.022 7.103 1.00 0.00 C ATOM 45 N6 DA A 2 4.772 1.859 6.424 1.00 0.00 N ATOM 46 N1 DA A 2 2.943 1.529 7.794 1.00 0.00 N ATOM 47 C2 DA A 2 2.159 0.688 8.484 1.00 0.00 C ATOM 48 N3 DA A 2 2.250 -0.632 8.610 1.00 0.00 N ATOM 49 C4 DA A 2 3.294 -1.104 7.908 1.00 0.00 C ATOM 0 H5' DA A 2 5.414 -5.050 11.175 1.00 0.00 H new ATOM 0 H5'' DA A 2 4.814 -6.693 11.061 1.00 0.00 H new ATOM 0 H4' DA A 2 2.948 -5.471 10.692 1.00 0.00 H new ATOM 0 H3' DA A 2 3.847 -6.768 8.292 1.00 0.00 H new ATOM 0 H2' DA A 2 4.045 -4.851 6.961 1.00 0.00 H new ATOM 0 H2'' DA A 2 2.294 -4.926 6.953 1.00 0.00 H new ATOM 0 H1' DA A 2 2.061 -3.327 8.613 1.00 0.00 H new ATOM 0 H8 DA A 2 5.320 -3.291 6.679 1.00 0.00 H new ATOM 0 H61 DA A 2 4.577 2.860 6.431 1.00 0.00 H new ATOM 0 H62 DA A 2 5.568 1.498 5.898 1.00 0.00 H new ATOM 0 H2 DA A 2 1.337 1.148 9.012 1.00 0.00 H new ATOM 61 P DG A 3 0.838 -6.678 7.689 1.00 0.00 P ATOM 62 OP1 DG A 3 -0.118 -7.736 8.102 1.00 0.00 O ATOM 63 OP2 DG A 3 1.547 -6.802 6.389 1.00 0.00 O ATOM 64 O5' DG A 3 0.059 -5.288 7.722 1.00 0.00 O ATOM 65 C5' DG A 3 -0.440 -4.759 8.954 1.00 0.00 C ATOM 66 C4' DG A 3 -1.584 -3.805 8.696 1.00 0.00 C ATOM 67 O4' DG A 3 -1.042 -2.523 8.289 1.00 0.00 O ATOM 68 C3' DG A 3 -2.552 -4.234 7.593 1.00 0.00 C ATOM 69 O3' DG A 3 -3.900 -3.931 7.966 1.00 0.00 O ATOM 70 C2' DG A 3 -2.123 -3.412 6.393 1.00 0.00 C ATOM 71 C1' DG A 3 -1.470 -2.179 6.981 1.00 0.00 C ATOM 72 N9 DG A 3 -0.300 -1.728 6.234 1.00 0.00 N ATOM 73 C8 DG A 3 0.702 -2.519 5.738 1.00 0.00 C ATOM 74 N7 DG A 3 1.647 -1.845 5.143 1.00 0.00 N ATOM 75 C5 DG A 3 1.230 -0.524 5.233 1.00 0.00 C ATOM 76 C6 DG A 3 1.840 0.666 4.759 1.00 0.00 C ATOM 77 O6 DG A 3 2.913 0.799 4.158 1.00 0.00 O ATOM 78 N1 DG A 3 1.070 1.785 5.051 1.00 0.00 N ATOM 79 C2 DG A 3 -0.130 1.766 5.716 1.00 0.00 C ATOM 80 N2 DG A 3 -0.728 2.952 5.881 1.00 0.00 N ATOM 81 N3 DG A 3 -0.704 0.666 6.176 1.00 0.00 N ATOM 82 C4 DG A 3 0.024 -0.434 5.897 1.00 0.00 C ATOM 0 H5' DG A 3 0.359 -4.242 9.485 1.00 0.00 H new ATOM 0 H5'' DG A 3 -0.775 -5.573 9.597 1.00 0.00 H new ATOM 0 H4' DG A 3 -2.143 -3.774 9.631 1.00 0.00 H new ATOM 0 H3' DG A 3 -2.525 -5.306 7.395 1.00 0.00 H new ATOM 0 H2' DG A 3 -1.427 -3.966 5.763 1.00 0.00 H new ATOM 0 H2'' DG A 3 -2.977 -3.148 5.769 1.00 0.00 H new ATOM 0 H1' DG A 3 -2.198 -1.368 6.957 1.00 0.00 H new ATOM 0 H8 DG A 3 0.709 -3.595 5.830 1.00 0.00 H new ATOM 0 H1 DG A 3 1.425 2.692 4.747 1.00 0.00 H new ATOM 0 H21 DG A 3 -1.623 3.009 6.367 1.00 0.00 H new ATOM 0 H22 DG A 3 -0.289 3.799 5.521 1.00 0.00 H new ATOM 94 P DT A 4 -5.120 -4.578 7.143 1.00 0.00 P ATOM 95 OP1 DT A 4 -6.173 -4.945 8.125 1.00 0.00 O ATOM 96 OP2 DT A 4 -4.584 -5.612 6.222 1.00 0.00 O ATOM 97 O5' DT A 4 -5.662 -3.366 6.264 1.00 0.00 O ATOM 98 C5' DT A 4 -6.156 -2.180 6.884 1.00 0.00 C ATOM 99 C4' DT A 4 -5.901 -0.983 5.999 1.00 0.00 C ATOM 100 O4' DT A 4 -4.514 -0.994 5.585 1.00 0.00 O ATOM 101 C3' DT A 4 -6.739 -0.928 4.717 1.00 0.00 C ATOM 102 O3' DT A 4 -7.549 0.251 4.703 1.00 0.00 O ATOM 103 C2' DT A 4 -5.720 -0.889 3.588 1.00 0.00 C ATOM 104 C1' DT A 4 -4.416 -0.518 4.262 1.00 0.00 C ATOM 105 N1 DT A 4 -3.216 -1.114 3.643 1.00 0.00 N ATOM 106 C2 DT A 4 -2.168 -0.278 3.341 1.00 0.00 C ATOM 107 O2 DT A 4 -2.194 0.918 3.583 1.00 0.00 O ATOM 108 N3 DT A 4 -1.083 -0.884 2.746 1.00 0.00 N ATOM 109 C4 DT A 4 -0.980 -2.232 2.434 1.00 0.00 C ATOM 110 O4 DT A 4 0.041 -2.656 1.895 1.00 0.00 O ATOM 111 C5 DT A 4 -2.119 -3.050 2.779 1.00 0.00 C ATOM 112 C7 DT A 4 -2.119 -4.492 2.378 1.00 0.00 C ATOM 113 C6 DT A 4 -3.164 -2.463 3.370 1.00 0.00 C ATOM 0 H5' DT A 4 -5.671 -2.037 7.850 1.00 0.00 H new ATOM 0 H5'' DT A 4 -7.225 -2.279 7.075 1.00 0.00 H new ATOM 0 H4' DT A 4 -6.175 -0.120 6.605 1.00 0.00 H new ATOM 0 H3' DT A 4 -7.417 -1.777 4.629 1.00 0.00 H new ATOM 0 H2' DT A 4 -5.647 -1.854 3.087 1.00 0.00 H new ATOM 0 H2'' DT A 4 -5.997 -0.157 2.830 1.00 0.00 H new ATOM 0 H1' DT A 4 -4.287 0.561 4.181 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.542 -4.615 1.461 1.00 0.00 H new ATOM 0 H72 DT A 4 -1.671 -5.090 3.172 1.00 0.00 H new ATOM 0 H73 DT A 4 -3.144 -4.823 2.209 1.00 0.00 H new ATOM 0 H6 DT A 4 -4.009 -3.076 3.647 1.00 0.00 H new ATOM 125 P DT A 5 -8.564 0.506 3.482 1.00 0.00 P ATOM 126 OP1 DT A 5 -9.598 1.459 3.956 1.00 0.00 O ATOM 127 OP2 DT A 5 -8.979 -0.807 2.926 1.00 0.00 O ATOM 128 O5' DT A 5 -7.668 1.248 2.398 1.00 0.00 O ATOM 129 C5' DT A 5 -6.882 2.385 2.754 1.00 0.00 C ATOM 130 C4' DT A 5 -6.297 3.024 1.518 1.00 0.00 C ATOM 131 O4' DT A 5 -5.143 2.260 1.101 1.00 0.00 O ATOM 132 C3' DT A 5 -7.239 3.075 0.312 1.00 0.00 C ATOM 133 O3' DT A 5 -7.189 4.375 -0.282 1.00 0.00 O ATOM 134 C2' DT A 5 -6.690 2.029 -0.640 1.00 0.00 C ATOM 135 C1' DT A 5 -5.224 1.965 -0.281 1.00 0.00 C ATOM 136 N1 DT A 5 -4.583 0.658 -0.494 1.00 0.00 N ATOM 137 C2 DT A 5 -3.372 0.640 -1.143 1.00 0.00 C ATOM 138 O2 DT A 5 -2.830 1.645 -1.568 1.00 0.00 O ATOM 139 N3 DT A 5 -2.815 -0.601 -1.279 1.00 0.00 N ATOM 140 C4 DT A 5 -3.339 -1.802 -0.853 1.00 0.00 C ATOM 141 O4 DT A 5 -2.692 -2.834 -0.998 1.00 0.00 O ATOM 142 C5 DT A 5 -4.628 -1.716 -0.199 1.00 0.00 C ATOM 143 C7 DT A 5 -5.308 -2.978 0.228 1.00 0.00 C ATOM 144 C6 DT A 5 -5.181 -0.504 -0.046 1.00 0.00 C ATOM 0 H5' DT A 5 -6.082 2.085 3.430 1.00 0.00 H new ATOM 0 H5'' DT A 5 -7.497 3.108 3.289 1.00 0.00 H new ATOM 0 H4' DT A 5 -6.069 4.050 1.805 1.00 0.00 H new ATOM 0 H3' DT A 5 -8.279 2.884 0.574 1.00 0.00 H new ATOM 0 H2' DT A 5 -7.180 1.065 -0.504 1.00 0.00 H new ATOM 0 H2'' DT A 5 -6.837 2.317 -1.681 1.00 0.00 H new ATOM 0 H1' DT A 5 -4.700 2.664 -0.933 1.00 0.00 H new ATOM 0 H3 DT A 5 -1.910 -0.643 -1.748 1.00 0.00 H new ATOM 0 H71 DT A 5 -5.025 -3.789 -0.444 1.00 0.00 H new ATOM 0 H72 DT A 5 -5.006 -3.228 1.245 1.00 0.00 H new ATOM 0 H73 DT A 5 -6.389 -2.839 0.194 1.00 0.00 H new ATOM 0 H6 DT A 5 -6.138 -0.433 0.450 1.00 0.00 H new ATOM 157 P DC A 6 -8.344 4.835 -1.298 1.00 0.00 P ATOM 158 OP1 DC A 6 -8.740 6.212 -0.906 1.00 0.00 O ATOM 159 OP2 DC A 6 -9.375 3.768 -1.372 1.00 0.00 O ATOM 160 O5' DC A 6 -7.605 4.918 -2.706 1.00 0.00 O ATOM 161 C5' DC A 6 -6.463 5.755 -2.884 1.00 0.00 C ATOM 162 C4' DC A 6 -5.542 5.172 -3.930 1.00 0.00 C ATOM 163 O4' DC A 6 -5.190 3.824 -3.548 1.00 0.00 O ATOM 164 C3' DC A 6 -6.138 5.078 -5.339 1.00 0.00 C ATOM 165 O3' DC A 6 -5.353 5.850 -6.255 1.00 0.00 O ATOM 166 C2' DC A 6 -6.069 3.599 -5.689 1.00 0.00 C ATOM 167 C1' DC A 6 -5.051 3.047 -4.716 1.00 0.00 C ATOM 168 N1 DC A 6 -5.243 1.635 -4.352 1.00 0.00 N ATOM 169 C2 DC A 6 -4.144 0.778 -4.392 1.00 0.00 C ATOM 170 O2 DC A 6 -3.044 1.230 -4.736 1.00 0.00 O ATOM 171 N3 DC A 6 -4.303 -0.522 -4.057 1.00 0.00 N ATOM 172 C4 DC A 6 -5.504 -0.973 -3.693 1.00 0.00 C ATOM 173 N4 DC A 6 -5.610 -2.262 -3.366 1.00 0.00 N ATOM 174 C5 DC A 6 -6.647 -0.122 -3.645 1.00 0.00 C ATOM 175 C6 DC A 6 -6.473 1.164 -3.980 1.00 0.00 C ATOM 0 H5' DC A 6 -5.930 5.860 -1.939 1.00 0.00 H new ATOM 0 H5'' DC A 6 -6.779 6.754 -3.185 1.00 0.00 H new ATOM 0 H4' DC A 6 -4.694 5.856 -3.972 1.00 0.00 H new ATOM 0 H3' DC A 6 -7.156 5.463 -5.390 1.00 0.00 H new ATOM 0 H2' DC A 6 -7.038 3.114 -5.572 1.00 0.00 H new ATOM 0 H2'' DC A 6 -5.759 3.446 -6.723 1.00 0.00 H new ATOM 0 H1' DC A 6 -4.069 3.095 -5.187 1.00 0.00 H new ATOM 0 H41 DC A 6 -6.512 -2.644 -3.082 1.00 0.00 H new ATOM 0 H42 DC A 6 -4.789 -2.866 -3.400 1.00 0.00 H new ATOM 0 H5 DC A 6 -7.615 -0.499 -3.350 1.00 0.00 H new ATOM 0 H6 DC A 6 -7.316 1.839 -3.956 1.00 0.00 H new ATOM 187 P DC A 7 -5.693 5.818 -7.827 1.00 0.00 P ATOM 188 OP1 DC A 7 -5.166 7.073 -8.420 1.00 0.00 O ATOM 189 OP2 DC A 7 -7.128 5.473 -7.994 1.00 0.00 O ATOM 190 O5' DC A 7 -4.824 4.603 -8.384 1.00 0.00 O ATOM 191 C5' DC A 7 -3.398 4.630 -8.319 1.00 0.00 C ATOM 192 C4' DC A 7 -2.813 3.514 -9.152 1.00 0.00 C ATOM 193 O4' DC A 7 -3.045 2.261 -8.472 1.00 0.00 O ATOM 194 C3' DC A 7 -3.412 3.361 -10.555 1.00 0.00 C ATOM 195 O3' DC A 7 -2.376 3.464 -11.536 1.00 0.00 O ATOM 196 C2' DC A 7 -4.018 1.966 -10.569 1.00 0.00 C ATOM 197 C1' DC A 7 -3.313 1.262 -9.430 1.00 0.00 C ATOM 198 N1 DC A 7 -4.091 0.203 -8.765 1.00 0.00 N ATOM 199 C2 DC A 7 -3.466 -1.012 -8.495 1.00 0.00 C ATOM 200 O2 DC A 7 -2.288 -1.171 -8.842 1.00 0.00 O ATOM 201 N3 DC A 7 -4.156 -1.987 -7.864 1.00 0.00 N ATOM 202 C4 DC A 7 -5.425 -1.780 -7.508 1.00 0.00 C ATOM 203 N4 DC A 7 -6.062 -2.769 -6.878 1.00 0.00 N ATOM 204 C5 DC A 7 -6.094 -0.551 -7.782 1.00 0.00 C ATOM 205 C6 DC A 7 -5.395 0.404 -8.408 1.00 0.00 C ATOM 0 H5' DC A 7 -3.073 4.529 -7.284 1.00 0.00 H new ATOM 0 H5'' DC A 7 -3.029 5.591 -8.677 1.00 0.00 H new ATOM 0 H4' DC A 7 -1.760 3.770 -9.272 1.00 0.00 H new ATOM 0 H3' DC A 7 -4.151 4.130 -10.782 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.097 1.996 -10.416 1.00 0.00 H new ATOM 0 H2'' DC A 7 -3.845 1.463 -11.520 1.00 0.00 H new ATOM 0 H1' DC A 7 -2.435 0.765 -9.843 1.00 0.00 H new ATOM 0 H41 DC A 7 -7.033 -2.648 -6.590 1.00 0.00 H new ATOM 0 H42 DC A 7 -5.578 -3.646 -6.684 1.00 0.00 H new ATOM 0 H5 DC A 7 -7.124 -0.397 -7.496 1.00 0.00 H new ATOM 0 H6 DC A 7 -5.869 1.348 -8.634 1.00 0.00 H new ATOM 217 P DA A 8 -2.745 3.820 -13.059 1.00 0.00 P ATOM 218 OP1 DA A 8 -2.618 5.292 -13.208 1.00 0.00 O ATOM 219 OP2 DA A 8 -4.027 3.156 -13.408 1.00 0.00 O ATOM 220 O5' DA A 8 -1.578 3.135 -13.902 1.00 0.00 O ATOM 221 C5' DA A 8 -0.209 3.461 -13.658 1.00 0.00 C ATOM 222 C4' DA A 8 0.677 2.275 -13.965 1.00 0.00 C ATOM 223 O4' DA A 8 0.149 1.109 -13.293 1.00 0.00 O ATOM 224 C3' DA A 8 0.782 1.907 -15.445 1.00 0.00 C ATOM 225 O3' DA A 8 2.111 1.498 -15.771 1.00 0.00 O ATOM 226 C2' DA A 8 -0.185 0.750 -15.609 1.00 0.00 C ATOM 227 C1' DA A 8 -0.266 0.124 -14.226 1.00 0.00 C ATOM 228 N9 DA A 8 -1.616 -0.293 -13.858 1.00 0.00 N ATOM 229 C8 DA A 8 -2.767 0.437 -14.007 1.00 0.00 C ATOM 230 N7 DA A 8 -3.846 -0.185 -13.596 1.00 0.00 N ATOM 231 C5 DA A 8 -3.371 -1.409 -13.144 1.00 0.00 C ATOM 232 C6 DA A 8 -4.015 -2.526 -12.586 1.00 0.00 C ATOM 233 N6 DA A 8 -5.331 -2.595 -12.380 1.00 0.00 N ATOM 234 N1 DA A 8 -3.250 -3.584 -12.240 1.00 0.00 N ATOM 235 C2 DA A 8 -1.929 -3.516 -12.449 1.00 0.00 C ATOM 236 N3 DA A 8 -1.209 -2.524 -12.968 1.00 0.00 N ATOM 237 C4 DA A 8 -1.998 -1.488 -13.299 1.00 0.00 C ATOM 0 H5' DA A 8 -0.079 3.760 -12.618 1.00 0.00 H new ATOM 0 H5'' DA A 8 0.084 4.311 -14.273 1.00 0.00 H new ATOM 0 H4' DA A 8 1.670 2.571 -13.627 1.00 0.00 H new ATOM 0 H3' DA A 8 0.549 2.746 -16.101 1.00 0.00 H new ATOM 0 H2' DA A 8 -1.162 1.094 -15.947 1.00 0.00 H new ATOM 0 H2'' DA A 8 0.174 0.034 -16.348 1.00 0.00 H new ATOM 0 HO3' DA A 8 2.158 1.265 -16.722 1.00 0.00 H new ATOM 0 H1' DA A 8 0.362 -0.767 -14.226 1.00 0.00 H new ATOM 0 H8 DA A 8 -2.784 1.433 -14.425 1.00 0.00 H new ATOM 0 H61 DA A 8 -5.740 -3.435 -11.971 1.00 0.00 H new ATOM 0 H62 DA A 8 -5.929 -1.808 -12.632 1.00 0.00 H new ATOM 0 H2 DA A 8 -1.368 -4.391 -12.155 1.00 0.00 H new TER 250 DA A 8 ATOM 251 O5' DT B 9 -5.453 -11.418 -10.188 1.00 0.00 O ATOM 252 C5' DT B 9 -4.246 -12.184 -10.165 1.00 0.00 C ATOM 253 C4' DT B 9 -3.040 -11.285 -10.019 1.00 0.00 C ATOM 254 O4' DT B 9 -3.255 -10.086 -10.806 1.00 0.00 O ATOM 255 C3' DT B 9 -2.760 -10.807 -8.592 1.00 0.00 C ATOM 256 O3' DT B 9 -1.349 -10.761 -8.348 1.00 0.00 O ATOM 257 C2' DT B 9 -3.347 -9.408 -8.568 1.00 0.00 C ATOM 258 C1' DT B 9 -3.099 -8.940 -9.988 1.00 0.00 C ATOM 259 N1 DT B 9 -4.029 -7.902 -10.473 1.00 0.00 N ATOM 260 C2 DT B 9 -3.490 -6.720 -10.928 1.00 0.00 C ATOM 261 O2 DT B 9 -2.291 -6.503 -10.957 1.00 0.00 O ATOM 262 N3 DT B 9 -4.407 -5.797 -11.351 1.00 0.00 N ATOM 263 C4 DT B 9 -5.778 -5.932 -11.368 1.00 0.00 C ATOM 264 O4 DT B 9 -6.476 -5.004 -11.766 1.00 0.00 O ATOM 265 C5 DT B 9 -6.280 -7.198 -10.881 1.00 0.00 C ATOM 266 C7 DT B 9 -7.758 -7.432 -10.859 1.00 0.00 C ATOM 267 C6 DT B 9 -5.393 -8.114 -10.463 1.00 0.00 C ATOM 0 H5' DT B 9 -4.162 -12.766 -11.083 1.00 0.00 H new ATOM 0 H5'' DT B 9 -4.277 -12.895 -9.339 1.00 0.00 H new ATOM 0 H4' DT B 9 -2.193 -11.889 -10.344 1.00 0.00 H new ATOM 0 H3' DT B 9 -3.184 -11.462 -7.831 1.00 0.00 H new ATOM 0 H2' DT B 9 -4.408 -9.415 -8.320 1.00 0.00 H new ATOM 0 H2'' DT B 9 -2.852 -8.770 -7.836 1.00 0.00 H new ATOM 0 HO5' DT B 9 -6.220 -12.020 -10.285 1.00 0.00 H new ATOM 0 H1' DT B 9 -2.109 -8.486 -10.022 1.00 0.00 H new ATOM 0 H3 DT B 9 -4.034 -4.911 -11.692 1.00 0.00 H new ATOM 0 H71 DT B 9 -7.960 -8.495 -10.994 1.00 0.00 H new ATOM 0 H72 DT B 9 -8.164 -7.104 -9.902 1.00 0.00 H new ATOM 0 H73 DT B 9 -8.228 -6.868 -11.665 1.00 0.00 H new ATOM 0 H6 DT B 9 -5.764 -9.062 -10.102 1.00 0.00 H new ATOM 281 P DG B 10 -0.792 -10.954 -6.851 1.00 0.00 P ATOM 282 OP1 DG B 10 -0.471 -12.395 -6.685 1.00 0.00 O ATOM 283 OP2 DG B 10 -1.739 -10.301 -5.911 1.00 0.00 O ATOM 284 O5' DG B 10 0.576 -10.136 -6.835 1.00 0.00 O ATOM 285 C5' DG B 10 1.681 -10.528 -7.654 1.00 0.00 C ATOM 286 C4' DG B 10 2.574 -9.342 -7.933 1.00 0.00 C ATOM 287 O4' DG B 10 1.754 -8.202 -8.282 1.00 0.00 O ATOM 288 C3' DG B 10 3.435 -8.884 -6.756 1.00 0.00 C ATOM 289 O3' DG B 10 4.678 -8.346 -7.228 1.00 0.00 O ATOM 290 C2' DG B 10 2.588 -7.809 -6.104 1.00 0.00 C ATOM 291 C1' DG B 10 1.822 -7.207 -7.269 1.00 0.00 C ATOM 292 N9 DG B 10 0.458 -6.814 -6.937 1.00 0.00 N ATOM 293 C8 DG B 10 -0.461 -7.544 -6.228 1.00 0.00 C ATOM 294 N7 DG B 10 -1.608 -6.938 -6.092 1.00 0.00 N ATOM 295 C5 DG B 10 -1.432 -5.727 -6.751 1.00 0.00 C ATOM 296 C6 DG B 10 -2.328 -4.644 -6.941 1.00 0.00 C ATOM 297 O6 DG B 10 -3.500 -4.532 -6.556 1.00 0.00 O ATOM 298 N1 DG B 10 -1.737 -3.615 -7.665 1.00 0.00 N ATOM 299 C2 DG B 10 -0.451 -3.625 -8.146 1.00 0.00 C ATOM 300 N2 DG B 10 -0.062 -2.538 -8.820 1.00 0.00 N ATOM 301 N3 DG B 10 0.392 -4.626 -7.978 1.00 0.00 N ATOM 302 C4 DG B 10 -0.161 -5.637 -7.276 1.00 0.00 C ATOM 0 H5' DG B 10 1.317 -10.946 -8.592 1.00 0.00 H new ATOM 0 H5'' DG B 10 2.251 -11.312 -7.156 1.00 0.00 H new ATOM 0 H4' DG B 10 3.238 -9.679 -8.729 1.00 0.00 H new ATOM 0 H3' DG B 10 3.697 -9.689 -6.070 1.00 0.00 H new ATOM 0 H2' DG B 10 1.916 -8.227 -5.355 1.00 0.00 H new ATOM 0 H2'' DG B 10 3.203 -7.064 -5.600 1.00 0.00 H new ATOM 0 H1' DG B 10 2.346 -6.303 -7.578 1.00 0.00 H new ATOM 0 H8 DG B 10 -0.256 -8.524 -5.822 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.303 -2.788 -7.854 1.00 0.00 H new ATOM 0 H21 DG B 10 0.882 -2.486 -9.202 1.00 0.00 H new ATOM 0 H22 DG B 10 -0.710 -1.761 -8.952 1.00 0.00 H new ATOM 314 P DG B 11 5.606 -7.480 -6.237 1.00 0.00 P ATOM 315 OP1 DG B 11 6.896 -7.245 -6.935 1.00 0.00 O ATOM 316 OP2 DG B 11 5.605 -8.134 -4.904 1.00 0.00 O ATOM 317 O5' DG B 11 4.847 -6.083 -6.108 1.00 0.00 O ATOM 318 C5' DG B 11 5.007 -5.061 -7.097 1.00 0.00 C ATOM 319 C4' DG B 11 4.851 -3.694 -6.472 1.00 0.00 C ATOM 320 O4' DG B 11 3.441 -3.401 -6.309 1.00 0.00 O ATOM 321 C3' DG B 11 5.483 -3.534 -5.084 1.00 0.00 C ATOM 322 O3' DG B 11 6.245 -2.321 -5.036 1.00 0.00 O ATOM 323 C2' DG B 11 4.292 -3.469 -4.146 1.00 0.00 C ATOM 324 C1' DG B 11 3.221 -2.862 -5.020 1.00 0.00 C ATOM 325 N9 DG B 11 1.858 -3.187 -4.618 1.00 0.00 N ATOM 326 C8 DG B 11 1.437 -4.340 -4.007 1.00 0.00 C ATOM 327 N7 DG B 11 0.156 -4.356 -3.760 1.00 0.00 N ATOM 328 C5 DG B 11 -0.297 -3.132 -4.234 1.00 0.00 C ATOM 329 C6 DG B 11 -1.602 -2.572 -4.240 1.00 0.00 C ATOM 330 O6 DG B 11 -2.655 -3.062 -3.815 1.00 0.00 O ATOM 331 N1 DG B 11 -1.612 -1.307 -4.815 1.00 0.00 N ATOM 332 C2 DG B 11 -0.512 -0.661 -5.319 1.00 0.00 C ATOM 333 N2 DG B 11 -0.724 0.560 -5.822 1.00 0.00 N ATOM 334 N3 DG B 11 0.707 -1.170 -5.326 1.00 0.00 N ATOM 335 C4 DG B 11 0.742 -2.400 -4.769 1.00 0.00 C ATOM 0 H5' DG B 11 4.269 -5.193 -7.888 1.00 0.00 H new ATOM 0 H5'' DG B 11 5.990 -5.146 -7.561 1.00 0.00 H new ATOM 0 H4' DG B 11 5.368 -3.019 -7.154 1.00 0.00 H new ATOM 0 H3' DG B 11 6.167 -4.341 -4.823 1.00 0.00 H new ATOM 0 H2' DG B 11 4.008 -4.456 -3.782 1.00 0.00 H new ATOM 0 H2'' DG B 11 4.498 -2.854 -3.270 1.00 0.00 H new ATOM 0 H1' DG B 11 3.297 -1.776 -4.959 1.00 0.00 H new ATOM 0 H8 DG B 11 2.100 -5.154 -3.755 1.00 0.00 H new ATOM 0 H1 DG B 11 -2.507 -0.821 -4.866 1.00 0.00 H new ATOM 0 H21 DG B 11 0.053 1.093 -6.212 1.00 0.00 H new ATOM 0 H22 DG B 11 -1.663 0.958 -5.815 1.00 0.00 H new ATOM 347 P DA B 12 7.197 -2.016 -3.774 1.00 0.00 P ATOM 348 OP1 DA B 12 8.590 -2.316 -4.193 1.00 0.00 O ATOM 349 OP2 DA B 12 6.636 -2.681 -2.570 1.00 0.00 O ATOM 350 O5' DA B 12 7.073 -0.439 -3.574 1.00 0.00 O ATOM 351 C5' DA B 12 6.940 0.437 -4.698 1.00 0.00 C ATOM 352 C4' DA B 12 6.200 1.694 -4.301 1.00 0.00 C ATOM 353 O4' DA B 12 4.809 1.361 -4.069 1.00 0.00 O ATOM 354 C3' DA B 12 6.697 2.364 -3.019 1.00 0.00 C ATOM 355 O3' DA B 12 6.666 3.789 -3.155 1.00 0.00 O ATOM 356 C2' DA B 12 5.709 1.905 -1.965 1.00 0.00 C ATOM 357 C1' DA B 12 4.426 1.712 -2.750 1.00 0.00 C ATOM 358 N9 DA B 12 3.568 0.648 -2.234 1.00 0.00 N ATOM 359 C8 DA B 12 3.982 -0.504 -1.623 1.00 0.00 C ATOM 360 N7 DA B 12 3.002 -1.295 -1.263 1.00 0.00 N ATOM 361 C5 DA B 12 1.861 -0.611 -1.659 1.00 0.00 C ATOM 362 C6 DA B 12 0.492 -0.916 -1.559 1.00 0.00 C ATOM 363 N6 DA B 12 0.019 -2.032 -1.000 1.00 0.00 N ATOM 364 N1 DA B 12 -0.388 -0.020 -2.055 1.00 0.00 N ATOM 365 C2 DA B 12 0.085 1.106 -2.608 1.00 0.00 C ATOM 366 N3 DA B 12 1.347 1.503 -2.760 1.00 0.00 N ATOM 367 C4 DA B 12 2.195 0.589 -2.259 1.00 0.00 C ATOM 0 H5' DA B 12 6.405 -0.070 -5.501 1.00 0.00 H new ATOM 0 H5'' DA B 12 7.926 0.695 -5.085 1.00 0.00 H new ATOM 0 H4' DA B 12 6.363 2.391 -5.123 1.00 0.00 H new ATOM 0 H3' DA B 12 7.726 2.102 -2.774 1.00 0.00 H new ATOM 0 H2' DA B 12 6.031 0.980 -1.487 1.00 0.00 H new ATOM 0 H2'' DA B 12 5.590 2.647 -1.175 1.00 0.00 H new ATOM 0 H1' DA B 12 3.850 2.635 -2.685 1.00 0.00 H new ATOM 0 H8 DA B 12 5.022 -0.740 -1.453 1.00 0.00 H new ATOM 0 H61 DA B 12 -0.987 -2.195 -0.958 1.00 0.00 H new ATOM 0 H62 DA B 12 0.664 -2.722 -0.614 1.00 0.00 H new ATOM 0 H2 DA B 12 -0.664 1.788 -2.983 1.00 0.00 H new HETATM 379 P EDI B 13 7.485 4.709 -2.121 1.00 0.00 P HETATM 380 OP1 EDI B 13 8.509 5.444 -2.907 1.00 0.00 O HETATM 381 OP2 EDI B 13 7.906 3.878 -0.965 1.00 0.00 O HETATM 382 O5' EDI B 13 6.408 5.765 -1.606 1.00 0.00 O HETATM 383 C5' EDI B 13 5.870 6.757 -2.484 1.00 0.00 C HETATM 384 C4' EDI B 13 4.651 7.400 -1.866 1.00 0.00 C HETATM 385 O4' EDI B 13 3.676 6.373 -1.570 1.00 0.00 O HETATM 386 C3' EDI B 13 4.898 8.131 -0.546 1.00 0.00 C HETATM 387 O3' EDI B 13 4.041 9.274 -0.444 1.00 0.00 O HETATM 388 C2' EDI B 13 4.554 7.094 0.501 1.00 0.00 C HETATM 389 C1' EDI B 13 3.501 6.234 -0.167 1.00 0.00 C HETATM 390 N9 EDI B 13 3.630 4.822 0.166 1.00 0.00 N HETATM 391 C8 EDI B 13 4.798 4.126 0.321 1.00 0.00 C HETATM 392 N7 EDI B 13 4.614 2.871 0.625 1.00 0.00 N HETATM 393 C5 EDI B 13 3.234 2.732 0.674 1.00 0.00 C HETATM 394 C6 EDI B 13 2.435 1.597 0.956 1.00 0.00 C HETATM 395 O6 EDI B 13 2.802 0.448 1.229 1.00 0.00 O HETATM 396 N1 EDI B 13 1.075 1.901 0.897 1.00 0.00 N HETATM 397 C2 EDI B 13 0.560 3.140 0.606 1.00 0.00 C HETATM 398 N3 EDI B 13 1.295 4.204 0.341 1.00 0.00 N HETATM 399 C4 EDI B 13 2.613 3.930 0.392 1.00 0.00 C HETATM 400 C11 EDI B 13 0.057 -0.034 2.411 1.00 0.00 C HETATM 401 C12 EDI B 13 0.123 0.825 1.160 1.00 0.00 C ATOM 415 P DC B 14 3.963 10.099 0.937 1.00 0.00 P ATOM 416 OP1 DC B 14 3.605 11.497 0.586 1.00 0.00 O ATOM 417 OP2 DC B 14 5.195 9.833 1.724 1.00 0.00 O ATOM 418 O5' DC B 14 2.728 9.448 1.709 1.00 0.00 O ATOM 419 C5' DC B 14 1.459 10.104 1.757 1.00 0.00 C ATOM 420 C4' DC B 14 0.403 9.175 2.313 1.00 0.00 C ATOM 421 O4' DC B 14 0.866 7.810 2.195 1.00 0.00 O ATOM 422 C3' DC B 14 0.063 9.393 3.791 1.00 0.00 C ATOM 423 O3' DC B 14 -1.356 9.519 3.954 1.00 0.00 O ATOM 424 C2' DC B 14 0.573 8.145 4.493 1.00 0.00 C ATOM 425 C1' DC B 14 0.632 7.106 3.396 1.00 0.00 C ATOM 426 N1 DC B 14 1.710 6.121 3.553 1.00 0.00 N ATOM 427 C2 DC B 14 1.381 4.771 3.687 1.00 0.00 C ATOM 428 O2 DC B 14 0.187 4.441 3.691 1.00 0.00 O ATOM 429 N3 DC B 14 2.370 3.858 3.809 1.00 0.00 N ATOM 430 C4 DC B 14 3.645 4.252 3.807 1.00 0.00 C ATOM 431 N4 DC B 14 4.586 3.313 3.913 1.00 0.00 N ATOM 432 C5 DC B 14 4.010 5.625 3.689 1.00 0.00 C ATOM 433 C6 DC B 14 3.017 6.518 3.564 1.00 0.00 C ATOM 0 H5' DC B 14 1.174 10.431 0.757 1.00 0.00 H new ATOM 0 H5'' DC B 14 1.528 10.998 2.377 1.00 0.00 H new ATOM 0 H4' DC B 14 -0.495 9.386 1.732 1.00 0.00 H new ATOM 0 H3' DC B 14 0.511 10.301 4.195 1.00 0.00 H new ATOM 0 H2' DC B 14 1.554 8.311 4.939 1.00 0.00 H new ATOM 0 H2'' DC B 14 -0.095 7.838 5.298 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.303 6.546 3.416 1.00 0.00 H new ATOM 0 H41 DC B 14 5.571 3.576 3.915 1.00 0.00 H new ATOM 0 H42 DC B 14 4.320 2.331 3.992 1.00 0.00 H new ATOM 0 H5 DC B 14 5.045 5.934 3.700 1.00 0.00 H new ATOM 0 H6 DC B 14 3.255 7.567 3.471 1.00 0.00 H new ATOM 445 P DT B 15 -1.959 10.074 5.338 1.00 0.00 P ATOM 446 OP1 DT B 15 -3.397 10.366 5.102 1.00 0.00 O ATOM 447 OP2 DT B 15 -1.068 11.148 5.845 1.00 0.00 O ATOM 448 O5' DT B 15 -1.861 8.832 6.334 1.00 0.00 O ATOM 449 C5' DT B 15 -2.838 7.789 6.308 1.00 0.00 C ATOM 450 C4' DT B 15 -2.595 6.813 7.437 1.00 0.00 C ATOM 451 O4' DT B 15 -1.399 6.055 7.144 1.00 0.00 O ATOM 452 C3' DT B 15 -2.376 7.448 8.816 1.00 0.00 C ATOM 453 O3' DT B 15 -3.353 6.949 9.740 1.00 0.00 O ATOM 454 C2' DT B 15 -0.975 7.012 9.221 1.00 0.00 C ATOM 455 C1' DT B 15 -0.716 5.801 8.349 1.00 0.00 C ATOM 456 N1 DT B 15 0.700 5.550 8.023 1.00 0.00 N ATOM 457 C2 DT B 15 1.152 4.251 8.061 1.00 0.00 C ATOM 458 O2 DT B 15 0.444 3.306 8.370 1.00 0.00 O ATOM 459 N3 DT B 15 2.469 4.095 7.727 1.00 0.00 N ATOM 460 C4 DT B 15 3.363 5.082 7.376 1.00 0.00 C ATOM 461 O4 DT B 15 4.507 4.778 7.049 1.00 0.00 O ATOM 462 C5 DT B 15 2.830 6.426 7.376 1.00 0.00 C ATOM 463 C7 DT B 15 3.756 7.571 7.105 1.00 0.00 C ATOM 464 C6 DT B 15 1.536 6.594 7.688 1.00 0.00 C ATOM 0 H5' DT B 15 -2.797 7.267 5.352 1.00 0.00 H new ATOM 0 H5'' DT B 15 -3.837 8.215 6.396 1.00 0.00 H new ATOM 0 H4' DT B 15 -3.503 6.212 7.493 1.00 0.00 H new ATOM 0 H3' DT B 15 -2.476 8.533 8.804 1.00 0.00 H new ATOM 0 H2' DT B 15 -0.242 7.799 9.043 1.00 0.00 H new ATOM 0 H2'' DT B 15 -0.923 6.762 10.281 1.00 0.00 H new ATOM 0 H1' DT B 15 -1.048 4.918 8.895 1.00 0.00 H new ATOM 0 H3 DT B 15 2.829 3.141 7.739 1.00 0.00 H new ATOM 0 H71 DT B 15 3.204 8.379 6.625 1.00 0.00 H new ATOM 0 H72 DT B 15 4.178 7.927 8.044 1.00 0.00 H new ATOM 0 H73 DT B 15 4.560 7.241 6.448 1.00 0.00 H new ATOM 0 H6 DT B 15 1.130 7.595 7.676 1.00 0.00 H new ATOM 477 P DG B 16 -3.251 7.329 11.299 1.00 0.00 P ATOM 478 OP1 DG B 16 -4.636 7.367 11.834 1.00 0.00 O ATOM 479 OP2 DG B 16 -2.377 8.521 11.446 1.00 0.00 O ATOM 480 O5' DG B 16 -2.504 6.080 11.950 1.00 0.00 O ATOM 481 C5' DG B 16 -3.152 4.811 12.060 1.00 0.00 C ATOM 482 C4' DG B 16 -2.439 3.945 13.074 1.00 0.00 C ATOM 483 O4' DG B 16 -1.257 3.380 12.454 1.00 0.00 O ATOM 484 C3' DG B 16 -1.958 4.683 14.325 1.00 0.00 C ATOM 485 O3' DG B 16 -2.184 3.902 15.502 1.00 0.00 O ATOM 486 C2' DG B 16 -0.472 4.870 14.088 1.00 0.00 C ATOM 487 C1' DG B 16 -0.109 3.676 13.228 1.00 0.00 C ATOM 488 N9 DG B 16 0.998 3.926 12.312 1.00 0.00 N ATOM 489 C8 DG B 16 1.295 5.116 11.703 1.00 0.00 C ATOM 490 N7 DG B 16 2.346 5.055 10.933 1.00 0.00 N ATOM 491 C5 DG B 16 2.772 3.738 11.044 1.00 0.00 C ATOM 492 C6 DG B 16 3.869 3.073 10.440 1.00 0.00 C ATOM 493 O6 DG B 16 4.713 3.531 9.662 1.00 0.00 O ATOM 494 N1 DG B 16 3.935 1.739 10.825 1.00 0.00 N ATOM 495 C2 DG B 16 3.058 1.122 11.680 1.00 0.00 C ATOM 496 N2 DG B 16 3.290 -0.172 11.930 1.00 0.00 N ATOM 497 N3 DG B 16 2.031 1.727 12.252 1.00 0.00 N ATOM 498 C4 DG B 16 1.948 3.026 11.891 1.00 0.00 C ATOM 0 H5' DG B 16 -3.161 4.314 11.090 1.00 0.00 H new ATOM 0 H5'' DG B 16 -4.191 4.950 12.357 1.00 0.00 H new ATOM 0 H4' DG B 16 -3.173 3.203 13.387 1.00 0.00 H new ATOM 0 H3' DG B 16 -2.486 5.624 14.482 1.00 0.00 H new ATOM 0 H2' DG B 16 -0.260 5.811 13.581 1.00 0.00 H new ATOM 0 H2'' DG B 16 0.088 4.878 15.023 1.00 0.00 H new ATOM 0 HO3' DG B 16 -1.867 4.395 16.287 1.00 0.00 H new ATOM 0 H1' DG B 16 0.206 2.865 13.885 1.00 0.00 H new ATOM 0 H8 DG B 16 0.716 6.016 11.846 1.00 0.00 H new ATOM 0 H1 DG B 16 4.694 1.176 10.442 1.00 0.00 H new ATOM 0 H21 DG B 16 2.674 -0.689 12.558 1.00 0.00 H new ATOM 0 H22 DG B 16 4.083 -0.642 11.493 1.00 0.00 H new TER 511 DG B 16