USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 182 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot 28:sc= 0.00512 USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 G O2' : rot -16:sc= -0.0349 USER MOD Single : B 1 G O5' : rot 180:sc= 0 USER MOD Single : B 2 C O2' : rot -17:sc= 0.11 USER MOD Single : B 3 C O2' : rot 178:sc= -0.0974 USER MOD Single : B 4 A O2' : rot -18:sc= 0.127 USER MOD Single : B 6 DT C7 :methyl -30:sc= 0 (180deg=-0.00558) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -11.450 -8.060 -2.703 1.00 0.00 O ATOM 2 C5' DG A 1 -12.051 -9.077 -1.928 1.00 0.00 C ATOM 3 C4' DG A 1 -11.313 -9.248 -0.597 1.00 0.00 C ATOM 4 O4' DG A 1 -9.967 -9.607 -0.849 1.00 0.00 O ATOM 5 C3' DG A 1 -11.308 -7.968 0.251 1.00 0.00 C ATOM 6 O3' DG A 1 -11.735 -8.291 1.568 1.00 0.00 O ATOM 7 C2' DG A 1 -9.845 -7.547 0.190 1.00 0.00 C ATOM 8 C1' DG A 1 -9.175 -8.915 0.088 1.00 0.00 C ATOM 9 N9 DG A 1 -7.760 -8.891 -0.352 1.00 0.00 N ATOM 10 C8 DG A 1 -7.240 -8.651 -1.602 1.00 0.00 C ATOM 11 N7 DG A 1 -5.949 -8.817 -1.685 1.00 0.00 N ATOM 12 C5 DG A 1 -5.579 -9.221 -0.407 1.00 0.00 C ATOM 13 C6 DG A 1 -4.299 -9.586 0.112 1.00 0.00 C ATOM 14 O6 DG A 1 -3.218 -9.593 -0.472 1.00 0.00 O ATOM 15 N1 DG A 1 -4.357 -9.974 1.449 1.00 0.00 N ATOM 16 C2 DG A 1 -5.517 -10.016 2.199 1.00 0.00 C ATOM 17 N2 DG A 1 -5.411 -10.374 3.482 1.00 0.00 N ATOM 18 N3 DG A 1 -6.719 -9.679 1.710 1.00 0.00 N ATOM 19 C4 DG A 1 -6.684 -9.289 0.408 1.00 0.00 C ATOM 0 H5' DG A 1 -12.039 -10.017 -2.480 1.00 0.00 H new ATOM 0 H5'' DG A 1 -13.096 -8.830 -1.741 1.00 0.00 H new ATOM 0 H4' DG A 1 -11.842 -10.023 -0.043 1.00 0.00 H new ATOM 0 H3' DG A 1 -11.973 -7.173 -0.087 1.00 0.00 H new ATOM 0 H2' DG A 1 -9.630 -6.913 -0.670 1.00 0.00 H new ATOM 0 H2'' DG A 1 -9.533 -6.996 1.077 1.00 0.00 H new ATOM 0 HO5' DG A 1 -10.500 -7.992 -2.473 1.00 0.00 H new ATOM 0 H1' DG A 1 -9.124 -9.378 1.073 1.00 0.00 H new ATOM 0 H8 DG A 1 -7.848 -8.351 -2.443 1.00 0.00 H new ATOM 0 H1 DG A 1 -3.485 -10.245 1.904 1.00 0.00 H new ATOM 0 H21 DG A 1 -6.243 -10.417 4.070 1.00 0.00 H new ATOM 0 H22 DG A 1 -4.498 -10.604 3.873 1.00 0.00 H new ATOM 32 P DC A 2 -11.920 -7.179 2.729 1.00 0.00 P ATOM 33 OP1 DC A 2 -12.943 -7.675 3.676 1.00 0.00 O ATOM 34 OP2 DC A 2 -12.098 -5.859 2.084 1.00 0.00 O ATOM 35 O5' DC A 2 -10.492 -7.176 3.483 1.00 0.00 O ATOM 36 C5' DC A 2 -10.130 -8.191 4.404 1.00 0.00 C ATOM 37 C4' DC A 2 -8.747 -7.895 4.995 1.00 0.00 C ATOM 38 O4' DC A 2 -7.757 -8.000 3.985 1.00 0.00 O ATOM 39 C3' DC A 2 -8.654 -6.486 5.601 1.00 0.00 C ATOM 40 O3' DC A 2 -8.062 -6.610 6.888 1.00 0.00 O ATOM 41 C2' DC A 2 -7.753 -5.800 4.577 1.00 0.00 C ATOM 42 C1' DC A 2 -6.832 -6.966 4.221 1.00 0.00 C ATOM 43 N1 DC A 2 -5.957 -6.728 3.040 1.00 0.00 N ATOM 44 C2 DC A 2 -4.601 -7.061 3.119 1.00 0.00 C ATOM 45 O2 DC A 2 -4.107 -7.536 4.140 1.00 0.00 O ATOM 46 N3 DC A 2 -3.817 -6.859 2.024 1.00 0.00 N ATOM 47 C4 DC A 2 -4.320 -6.365 0.887 1.00 0.00 C ATOM 48 N4 DC A 2 -3.500 -6.224 -0.159 1.00 0.00 N ATOM 49 C5 DC A 2 -5.717 -6.056 0.766 1.00 0.00 C ATOM 50 C6 DC A 2 -6.485 -6.260 1.863 1.00 0.00 C ATOM 0 H5' DC A 2 -10.121 -9.160 3.905 1.00 0.00 H new ATOM 0 H5'' DC A 2 -10.870 -8.250 5.202 1.00 0.00 H new ATOM 0 H4' DC A 2 -8.585 -8.626 5.787 1.00 0.00 H new ATOM 0 H3' DC A 2 -9.584 -5.940 5.758 1.00 0.00 H new ATOM 0 H2' DC A 2 -8.307 -5.427 3.716 1.00 0.00 H new ATOM 0 H2'' DC A 2 -7.211 -4.953 4.998 1.00 0.00 H new ATOM 0 H1' DC A 2 -6.105 -7.169 5.008 1.00 0.00 H new ATOM 0 H41 DC A 2 -3.855 -5.850 -1.039 1.00 0.00 H new ATOM 0 H42 DC A 2 -2.519 -6.490 -0.077 1.00 0.00 H new ATOM 0 H5 DC A 2 -6.135 -5.679 -0.156 1.00 0.00 H new ATOM 0 H6 DC A 2 -7.543 -6.048 1.810 1.00 0.00 H new ATOM 62 P DA A 3 -7.820 -5.367 7.890 1.00 0.00 P ATOM 63 OP1 DA A 3 -8.479 -5.678 9.177 1.00 0.00 O ATOM 64 OP2 DA A 3 -8.144 -4.108 7.184 1.00 0.00 O ATOM 65 O5' DA A 3 -6.221 -5.420 8.110 1.00 0.00 O ATOM 66 C5' DA A 3 -5.605 -6.461 8.850 1.00 0.00 C ATOM 67 C4' DA A 3 -4.099 -6.200 8.993 1.00 0.00 C ATOM 68 O4' DA A 3 -3.490 -6.229 7.716 1.00 0.00 O ATOM 69 C3' DA A 3 -3.816 -4.835 9.628 1.00 0.00 C ATOM 70 O3' DA A 3 -2.744 -4.972 10.550 1.00 0.00 O ATOM 71 C2' DA A 3 -3.451 -3.997 8.409 1.00 0.00 C ATOM 72 C1' DA A 3 -2.741 -5.044 7.552 1.00 0.00 C ATOM 73 N9 DA A 3 -2.719 -4.715 6.113 1.00 0.00 N ATOM 74 C8 DA A 3 -3.799 -4.510 5.297 1.00 0.00 C ATOM 75 N7 DA A 3 -3.505 -4.362 4.036 1.00 0.00 N ATOM 76 C5 DA A 3 -2.125 -4.526 4.005 1.00 0.00 C ATOM 77 C6 DA A 3 -1.185 -4.553 2.953 1.00 0.00 C ATOM 78 N6 DA A 3 -1.522 -4.396 1.669 1.00 0.00 N ATOM 79 N1 DA A 3 0.108 -4.777 3.255 1.00 0.00 N ATOM 80 C2 DA A 3 0.454 -4.963 4.526 1.00 0.00 C ATOM 81 N3 DA A 3 -0.330 -4.970 5.601 1.00 0.00 N ATOM 82 C4 DA A 3 -1.632 -4.744 5.269 1.00 0.00 C ATOM 0 H5' DA A 3 -5.769 -7.416 8.351 1.00 0.00 H new ATOM 0 H5'' DA A 3 -6.063 -6.534 9.837 1.00 0.00 H new ATOM 0 H4' DA A 3 -3.692 -6.978 9.639 1.00 0.00 H new ATOM 0 H3' DA A 3 -4.633 -4.393 10.199 1.00 0.00 H new ATOM 0 H2' DA A 3 -4.329 -3.582 7.914 1.00 0.00 H new ATOM 0 H2'' DA A 3 -2.802 -3.159 8.662 1.00 0.00 H new ATOM 0 H1' DA A 3 -1.700 -5.117 7.868 1.00 0.00 H new ATOM 0 H8 DA A 3 -4.813 -4.474 5.668 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.803 -4.424 0.946 1.00 0.00 H new ATOM 0 H62 DA A 3 -2.498 -4.248 1.412 1.00 0.00 H new ATOM 0 H2 DA A 3 1.505 -5.130 4.709 1.00 0.00 H new ATOM 94 P DG A 4 -2.161 -3.731 11.408 1.00 0.00 P ATOM 95 OP1 DG A 4 -1.609 -4.268 12.672 1.00 0.00 O ATOM 96 OP2 DG A 4 -3.186 -2.664 11.450 1.00 0.00 O ATOM 97 O5' DG A 4 -0.931 -3.213 10.499 1.00 0.00 O ATOM 98 C5' DG A 4 0.280 -3.942 10.421 1.00 0.00 C ATOM 99 C4' DG A 4 1.279 -3.261 9.482 1.00 0.00 C ATOM 100 O4' DG A 4 0.807 -3.323 8.153 1.00 0.00 O ATOM 101 C3' DG A 4 1.535 -1.781 9.810 1.00 0.00 C ATOM 102 O3' DG A 4 2.860 -1.636 10.308 1.00 0.00 O ATOM 103 C2' DG A 4 1.331 -1.101 8.460 1.00 0.00 C ATOM 104 C1' DG A 4 1.415 -2.252 7.474 1.00 0.00 C ATOM 105 N9 DG A 4 0.696 -1.947 6.227 1.00 0.00 N ATOM 106 C8 DG A 4 -0.649 -1.781 6.057 1.00 0.00 C ATOM 107 N7 DG A 4 -1.013 -1.601 4.818 1.00 0.00 N ATOM 108 C5 DG A 4 0.186 -1.661 4.111 1.00 0.00 C ATOM 109 C6 DG A 4 0.434 -1.595 2.707 1.00 0.00 C ATOM 110 O6 DG A 4 -0.379 -1.422 1.804 1.00 0.00 O ATOM 111 N1 DG A 4 1.783 -1.755 2.399 1.00 0.00 N ATOM 112 C2 DG A 4 2.784 -1.942 3.335 1.00 0.00 C ATOM 113 N2 DG A 4 4.038 -2.057 2.890 1.00 0.00 N ATOM 114 N3 DG A 4 2.553 -2.002 4.653 1.00 0.00 N ATOM 115 C4 DG A 4 1.239 -1.864 4.972 1.00 0.00 C ATOM 0 H5' DG A 4 0.076 -4.953 10.068 1.00 0.00 H new ATOM 0 H5'' DG A 4 0.717 -4.034 11.416 1.00 0.00 H new ATOM 0 H4' DG A 4 2.216 -3.802 9.613 1.00 0.00 H new ATOM 0 H3' DG A 4 0.888 -1.356 10.577 1.00 0.00 H new ATOM 0 H2' DG A 4 0.367 -0.594 8.406 1.00 0.00 H new ATOM 0 H2'' DG A 4 2.097 -0.350 8.268 1.00 0.00 H new ATOM 0 H1' DG A 4 2.441 -2.466 7.175 1.00 0.00 H new ATOM 0 H8 DG A 4 -1.350 -1.797 6.878 1.00 0.00 H new ATOM 0 H1 DG A 4 2.051 -1.733 1.415 1.00 0.00 H new ATOM 0 H21 DG A 4 4.803 -2.196 3.550 1.00 0.00 H new ATOM 0 H22 DG A 4 4.231 -2.006 1.890 1.00 0.00 H new ATOM 127 P DT A 5 3.490 -0.213 10.760 1.00 0.00 P ATOM 128 OP1 DT A 5 4.692 -0.488 11.579 1.00 0.00 O ATOM 129 OP2 DT A 5 2.402 0.622 11.315 1.00 0.00 O ATOM 130 O5' DT A 5 3.977 0.460 9.371 1.00 0.00 O ATOM 131 C5' DT A 5 5.051 -0.075 8.618 1.00 0.00 C ATOM 132 C4' DT A 5 5.233 0.667 7.285 1.00 0.00 C ATOM 133 O4' DT A 5 4.162 0.417 6.391 1.00 0.00 O ATOM 134 C3' DT A 5 5.315 2.194 7.448 1.00 0.00 C ATOM 135 O3' DT A 5 6.635 2.615 7.129 1.00 0.00 O ATOM 136 C2' DT A 5 4.261 2.717 6.476 1.00 0.00 C ATOM 137 C1' DT A 5 4.087 1.537 5.529 1.00 0.00 C ATOM 138 N1 DT A 5 2.804 1.549 4.776 1.00 0.00 N ATOM 139 C2 DT A 5 2.833 1.458 3.382 1.00 0.00 C ATOM 140 O2 DT A 5 3.870 1.387 2.726 1.00 0.00 O ATOM 141 N3 DT A 5 1.603 1.447 2.742 1.00 0.00 N ATOM 142 C4 DT A 5 0.363 1.540 3.353 1.00 0.00 C ATOM 143 O4 DT A 5 -0.658 1.533 2.668 1.00 0.00 O ATOM 144 C5 DT A 5 0.416 1.607 4.804 1.00 0.00 C ATOM 145 C7 DT A 5 -0.870 1.698 5.602 1.00 0.00 C ATOM 146 C6 DT A 5 1.609 1.602 5.453 1.00 0.00 C ATOM 0 H5' DT A 5 4.869 -1.132 8.425 1.00 0.00 H new ATOM 0 H5'' DT A 5 5.971 -0.011 9.199 1.00 0.00 H new ATOM 0 H4' DT A 5 6.175 0.284 6.892 1.00 0.00 H new ATOM 0 H3' DT A 5 5.123 2.563 8.456 1.00 0.00 H new ATOM 0 H2' DT A 5 3.331 2.974 6.983 1.00 0.00 H new ATOM 0 H2'' DT A 5 4.597 3.613 5.954 1.00 0.00 H new ATOM 0 H1' DT A 5 4.842 1.546 4.742 1.00 0.00 H new ATOM 0 H3 DT A 5 1.612 1.362 1.726 1.00 0.00 H new ATOM 0 H71 DT A 5 -0.730 1.224 6.573 1.00 0.00 H new ATOM 0 H72 DT A 5 -1.136 2.745 5.745 1.00 0.00 H new ATOM 0 H73 DT A 5 -1.670 1.190 5.063 1.00 0.00 H new ATOM 0 H6 DT A 5 1.619 1.641 6.532 1.00 0.00 H new ATOM 159 P DG A 6 7.107 4.162 7.178 1.00 0.00 P ATOM 160 OP1 DG A 6 8.573 4.187 7.373 1.00 0.00 O ATOM 161 OP2 DG A 6 6.229 4.888 8.123 1.00 0.00 O ATOM 162 O5' DG A 6 6.789 4.698 5.686 1.00 0.00 O ATOM 163 C5' DG A 6 7.597 4.345 4.578 1.00 0.00 C ATOM 164 C4' DG A 6 7.060 4.984 3.292 1.00 0.00 C ATOM 165 O4' DG A 6 5.813 4.424 2.934 1.00 0.00 O ATOM 166 C3' DG A 6 6.866 6.503 3.413 1.00 0.00 C ATOM 167 O3' DG A 6 7.749 7.120 2.484 1.00 0.00 O ATOM 168 C2' DG A 6 5.387 6.690 3.084 1.00 0.00 C ATOM 169 C1' DG A 6 5.077 5.437 2.284 1.00 0.00 C ATOM 170 N9 DG A 6 3.648 5.089 2.287 1.00 0.00 N ATOM 171 C8 DG A 6 2.840 4.863 3.363 1.00 0.00 C ATOM 172 N7 DG A 6 1.615 4.540 3.056 1.00 0.00 N ATOM 173 C5 DG A 6 1.615 4.546 1.664 1.00 0.00 C ATOM 174 C6 DG A 6 0.557 4.299 0.739 1.00 0.00 C ATOM 175 O6 DG A 6 -0.599 3.969 0.983 1.00 0.00 O ATOM 176 N1 DG A 6 0.954 4.481 -0.585 1.00 0.00 N ATOM 177 C2 DG A 6 2.228 4.847 -0.976 1.00 0.00 C ATOM 178 N2 DG A 6 2.438 5.049 -2.279 1.00 0.00 N ATOM 179 N3 DG A 6 3.232 5.045 -0.112 1.00 0.00 N ATOM 180 C4 DG A 6 2.858 4.886 1.186 1.00 0.00 C ATOM 0 H5' DG A 6 7.620 3.261 4.469 1.00 0.00 H new ATOM 0 H5'' DG A 6 8.623 4.670 4.751 1.00 0.00 H new ATOM 0 H4' DG A 6 7.814 4.783 2.531 1.00 0.00 H new ATOM 0 H3' DG A 6 7.093 6.946 4.383 1.00 0.00 H new ATOM 0 H2' DG A 6 4.775 6.761 3.983 1.00 0.00 H new ATOM 0 H2'' DG A 6 5.210 7.597 2.506 1.00 0.00 H new ATOM 0 H1' DG A 6 5.338 5.574 1.235 1.00 0.00 H new ATOM 0 H8 DG A 6 3.186 4.945 4.383 1.00 0.00 H new ATOM 0 H1 DG A 6 0.257 4.334 -1.315 1.00 0.00 H new ATOM 0 H21 DG A 6 3.364 5.320 -2.610 1.00 0.00 H new ATOM 0 H22 DG A 6 1.673 4.932 -2.943 1.00 0.00 H new ATOM 192 P DG A 7 7.761 8.705 2.181 1.00 0.00 P ATOM 193 OP1 DG A 7 9.107 9.068 1.684 1.00 0.00 O ATOM 194 OP2 DG A 7 7.194 9.412 3.352 1.00 0.00 O ATOM 195 O5' DG A 7 6.717 8.836 0.956 1.00 0.00 O ATOM 196 C5' DG A 7 7.020 8.352 -0.342 1.00 0.00 C ATOM 197 C4' DG A 7 5.888 8.711 -1.312 1.00 0.00 C ATOM 198 O4' DG A 7 4.714 7.974 -1.008 1.00 0.00 O ATOM 199 C3' DG A 7 5.543 10.206 -1.250 1.00 0.00 C ATOM 200 O3' DG A 7 5.646 10.764 -2.555 1.00 0.00 O ATOM 201 C2' DG A 7 4.104 10.158 -0.746 1.00 0.00 C ATOM 202 C1' DG A 7 3.620 8.818 -1.286 1.00 0.00 C ATOM 203 N9 DG A 7 2.374 8.317 -0.657 1.00 0.00 N ATOM 204 C8 DG A 7 2.158 7.990 0.655 1.00 0.00 C ATOM 205 N7 DG A 7 0.962 7.537 0.908 1.00 0.00 N ATOM 206 C5 DG A 7 0.332 7.550 -0.330 1.00 0.00 C ATOM 207 C6 DG A 7 -0.997 7.166 -0.688 1.00 0.00 C ATOM 208 O6 DG A 7 -1.863 6.674 0.030 1.00 0.00 O ATOM 209 N1 DG A 7 -1.286 7.428 -2.024 1.00 0.00 N ATOM 210 C2 DG A 7 -0.370 7.929 -2.931 1.00 0.00 C ATOM 211 N2 DG A 7 -0.814 8.177 -4.167 1.00 0.00 N ATOM 212 N3 DG A 7 0.899 8.226 -2.611 1.00 0.00 N ATOM 213 C4 DG A 7 1.186 8.031 -1.295 1.00 0.00 C ATOM 0 H5' DG A 7 7.157 7.271 -0.313 1.00 0.00 H new ATOM 0 H5'' DG A 7 7.959 8.783 -0.690 1.00 0.00 H new ATOM 0 H4' DG A 7 6.242 8.463 -2.313 1.00 0.00 H new ATOM 0 H3' DG A 7 6.190 10.819 -0.623 1.00 0.00 H new ATOM 0 H2' DG A 7 4.052 10.202 0.342 1.00 0.00 H new ATOM 0 H2'' DG A 7 3.511 10.989 -1.127 1.00 0.00 H new ATOM 0 H1' DG A 7 3.346 8.880 -2.339 1.00 0.00 H new ATOM 0 H8 DG A 7 2.916 8.098 1.417 1.00 0.00 H new ATOM 0 H1 DG A 7 -2.232 7.239 -2.355 1.00 0.00 H new ATOM 0 H21 DG A 7 -0.178 8.547 -4.873 1.00 0.00 H new ATOM 0 H22 DG A 7 -1.789 7.996 -4.404 1.00 0.00 H new ATOM 225 P DC A 8 5.298 12.313 -2.886 1.00 0.00 P ATOM 226 OP1 DC A 8 6.070 12.709 -4.084 1.00 0.00 O ATOM 227 OP2 DC A 8 5.428 13.099 -1.639 1.00 0.00 O ATOM 228 O5' DC A 8 3.731 12.272 -3.289 1.00 0.00 O ATOM 229 C5' DC A 8 3.305 11.747 -4.533 1.00 0.00 C ATOM 230 C4' DC A 8 1.782 11.820 -4.699 1.00 0.00 C ATOM 231 O4' DC A 8 1.110 11.023 -3.736 1.00 0.00 O ATOM 232 C3' DC A 8 1.212 13.238 -4.540 1.00 0.00 C ATOM 233 O3' DC A 8 0.789 13.745 -5.788 1.00 0.00 O ATOM 234 C2' DC A 8 0.016 13.060 -3.598 1.00 0.00 C ATOM 235 C1' DC A 8 -0.200 11.548 -3.601 1.00 0.00 C ATOM 236 N1 DC A 8 -0.889 11.080 -2.362 1.00 0.00 N ATOM 237 C2 DC A 8 -2.248 10.762 -2.418 1.00 0.00 C ATOM 238 O2 DC A 8 -2.889 10.901 -3.456 1.00 0.00 O ATOM 239 N3 DC A 8 -2.857 10.290 -1.290 1.00 0.00 N ATOM 240 C4 DC A 8 -2.175 10.131 -0.145 1.00 0.00 C ATOM 241 N4 DC A 8 -2.812 9.625 0.915 1.00 0.00 N ATOM 242 C5 DC A 8 -0.778 10.458 -0.061 1.00 0.00 C ATOM 243 C6 DC A 8 -0.196 10.927 -1.189 1.00 0.00 C ATOM 0 H5' DC A 8 3.629 10.710 -4.618 1.00 0.00 H new ATOM 0 H5'' DC A 8 3.784 12.298 -5.342 1.00 0.00 H new ATOM 0 H4' DC A 8 1.613 11.462 -5.715 1.00 0.00 H new ATOM 0 H3' DC A 8 1.947 13.943 -4.153 1.00 0.00 H new ATOM 0 H2' DC A 8 0.231 13.435 -2.597 1.00 0.00 H new ATOM 0 H2'' DC A 8 -0.864 13.594 -3.957 1.00 0.00 H new ATOM 0 HO3' DC A 8 0.427 14.648 -5.669 1.00 0.00 H new ATOM 0 H1' DC A 8 -0.858 11.214 -4.403 1.00 0.00 H new ATOM 0 H41 DC A 8 -2.314 9.495 1.795 1.00 0.00 H new ATOM 0 H42 DC A 8 -3.797 9.368 0.844 1.00 0.00 H new ATOM 0 H5 DC A 8 -0.221 10.336 0.856 1.00 0.00 H new ATOM 0 H6 DC A 8 0.851 11.190 -1.164 1.00 0.00 H new TER 256 DC A 8 ATOM 257 O5' G B 1 -12.857 6.227 -1.225 1.00 0.00 O ATOM 258 C5' G B 1 -13.569 6.964 -2.196 1.00 0.00 C ATOM 259 C4' G B 1 -12.621 7.796 -3.067 1.00 0.00 C ATOM 260 O4' G B 1 -11.872 8.720 -2.283 1.00 0.00 O ATOM 261 C3' G B 1 -11.592 6.944 -3.815 1.00 0.00 C ATOM 262 O3' G B 1 -12.085 6.355 -5.005 1.00 0.00 O ATOM 263 C2' G B 1 -10.568 8.022 -4.108 1.00 0.00 C ATOM 264 O2' G B 1 -10.992 8.851 -5.173 1.00 0.00 O ATOM 265 C1' G B 1 -10.563 8.844 -2.832 1.00 0.00 C ATOM 266 N9 G B 1 -9.526 8.495 -1.842 1.00 0.00 N ATOM 267 C8 G B 1 -9.643 7.828 -0.653 1.00 0.00 C ATOM 268 N7 G B 1 -8.585 7.901 0.108 1.00 0.00 N ATOM 269 C5 G B 1 -7.690 8.667 -0.634 1.00 0.00 C ATOM 270 C6 G B 1 -6.352 9.082 -0.345 1.00 0.00 C ATOM 271 O6 G B 1 -5.693 8.873 0.671 1.00 0.00 O ATOM 272 N1 G B 1 -5.777 9.794 -1.397 1.00 0.00 N ATOM 273 C2 G B 1 -6.429 10.107 -2.576 1.00 0.00 C ATOM 274 N2 G B 1 -5.752 10.791 -3.502 1.00 0.00 N ATOM 275 N3 G B 1 -7.691 9.742 -2.837 1.00 0.00 N ATOM 276 C4 G B 1 -8.257 9.019 -1.835 1.00 0.00 C ATOM 0 H5' G B 1 -14.286 7.621 -1.704 1.00 0.00 H new ATOM 0 H5'' G B 1 -14.142 6.283 -2.826 1.00 0.00 H new ATOM 0 H4' G B 1 -13.274 8.304 -3.777 1.00 0.00 H new ATOM 0 H3' G B 1 -11.241 6.075 -3.259 1.00 0.00 H new ATOM 0 H2' G B 1 -9.600 7.607 -4.388 1.00 0.00 H new ATOM 0 HO2' G B 1 -11.718 8.410 -5.661 1.00 0.00 H new ATOM 0 HO5' G B 1 -13.486 5.707 -0.683 1.00 0.00 H new ATOM 0 H1' G B 1 -10.303 9.871 -3.088 1.00 0.00 H new ATOM 0 H8 G B 1 -10.534 7.288 -0.369 1.00 0.00 H new ATOM 0 H1 G B 1 -4.811 10.105 -1.290 1.00 0.00 H new ATOM 0 H21 G B 1 -6.202 11.039 -4.383 1.00 0.00 H new ATOM 0 H22 G B 1 -4.785 11.066 -3.328 1.00 0.00 H new ATOM 289 P C B 2 -11.256 5.205 -5.785 1.00 0.00 P ATOM 290 OP1 C B 2 -11.913 4.982 -7.091 1.00 0.00 O ATOM 291 OP2 C B 2 -11.094 4.071 -4.849 1.00 0.00 O ATOM 292 O5' C B 2 -9.786 5.827 -6.055 1.00 0.00 O ATOM 293 C5' C B 2 -9.506 6.695 -7.141 1.00 0.00 C ATOM 294 C4' C B 2 -8.031 7.126 -7.114 1.00 0.00 C ATOM 295 O4' C B 2 -7.648 7.734 -5.881 1.00 0.00 O ATOM 296 C3' C B 2 -7.100 5.933 -7.264 1.00 0.00 C ATOM 297 O3' C B 2 -6.970 5.427 -8.583 1.00 0.00 O ATOM 298 C2' C B 2 -5.815 6.579 -6.777 1.00 0.00 C ATOM 299 O2' C B 2 -5.221 7.347 -7.808 1.00 0.00 O ATOM 300 C1' C B 2 -6.245 7.556 -5.677 1.00 0.00 C ATOM 301 N1 C B 2 -5.890 7.164 -4.279 1.00 0.00 N ATOM 302 C2 C B 2 -4.586 7.431 -3.833 1.00 0.00 C ATOM 303 O2 C B 2 -3.753 7.966 -4.563 1.00 0.00 O ATOM 304 N3 C B 2 -4.233 7.062 -2.569 1.00 0.00 N ATOM 305 C4 C B 2 -5.109 6.454 -1.759 1.00 0.00 C ATOM 306 N4 C B 2 -4.704 6.086 -0.540 1.00 0.00 N ATOM 307 C5 C B 2 -6.476 6.265 -2.152 1.00 0.00 C ATOM 308 C6 C B 2 -6.822 6.656 -3.402 1.00 0.00 C ATOM 0 H5' C B 2 -10.149 7.573 -7.088 1.00 0.00 H new ATOM 0 H5'' C B 2 -9.728 6.193 -8.083 1.00 0.00 H new ATOM 0 H4' C B 2 -7.944 7.832 -7.940 1.00 0.00 H new ATOM 0 H3' C B 2 -7.439 5.044 -6.732 1.00 0.00 H new ATOM 0 H2' C B 2 -5.105 5.822 -6.445 1.00 0.00 H new ATOM 0 HO2' C B 2 -5.603 7.086 -8.672 1.00 0.00 H new ATOM 0 H1' C B 2 -5.687 8.488 -5.767 1.00 0.00 H new ATOM 0 H41 C B 2 -5.354 5.621 0.095 1.00 0.00 H new ATOM 0 H42 C B 2 -3.745 6.270 -0.244 1.00 0.00 H new ATOM 0 H5 C B 2 -7.199 5.829 -1.479 1.00 0.00 H new ATOM 0 H6 C B 2 -7.851 6.567 -3.717 1.00 0.00 H new ATOM 320 P C B 3 -6.190 4.035 -8.880 1.00 0.00 P ATOM 321 OP1 C B 3 -6.163 3.840 -10.346 1.00 0.00 O ATOM 322 OP2 C B 3 -6.787 2.993 -8.016 1.00 0.00 O ATOM 323 O5' C B 3 -4.670 4.280 -8.376 1.00 0.00 O ATOM 324 C5' C B 3 -3.696 4.892 -9.201 1.00 0.00 C ATOM 325 C4' C B 3 -2.380 5.147 -8.451 1.00 0.00 C ATOM 326 O4' C B 3 -2.537 5.815 -7.201 1.00 0.00 O ATOM 327 C3' C B 3 -1.664 3.857 -8.065 1.00 0.00 C ATOM 328 O3' C B 3 -1.076 3.174 -9.160 1.00 0.00 O ATOM 329 C2' C B 3 -0.632 4.429 -7.108 1.00 0.00 C ATOM 330 O2' C B 3 0.463 5.003 -7.796 1.00 0.00 O ATOM 331 C1' C B 3 -1.390 5.544 -6.386 1.00 0.00 C ATOM 332 N1 C B 3 -1.703 5.148 -4.980 1.00 0.00 N ATOM 333 C2 C B 3 -0.618 4.926 -4.125 1.00 0.00 C ATOM 334 O2 C B 3 0.526 5.218 -4.467 1.00 0.00 O ATOM 335 N3 C B 3 -0.843 4.381 -2.896 1.00 0.00 N ATOM 336 C4 C B 3 -2.079 4.039 -2.514 1.00 0.00 C ATOM 337 N4 C B 3 -2.265 3.513 -1.300 1.00 0.00 N ATOM 338 C5 C B 3 -3.214 4.307 -3.344 1.00 0.00 C ATOM 339 C6 C B 3 -2.982 4.877 -4.555 1.00 0.00 C ATOM 0 H5' C B 3 -4.085 5.837 -9.581 1.00 0.00 H new ATOM 0 H5'' C B 3 -3.503 4.257 -10.065 1.00 0.00 H new ATOM 0 H4' C B 3 -1.825 5.753 -9.167 1.00 0.00 H new ATOM 0 H3' C B 3 -2.314 3.085 -7.653 1.00 0.00 H new ATOM 0 H2' C B 3 -0.225 3.659 -6.453 1.00 0.00 H new ATOM 0 HO2' C B 3 1.090 5.389 -7.149 1.00 0.00 H new ATOM 0 H1' C B 3 -0.806 6.458 -6.273 1.00 0.00 H new ATOM 0 H41 C B 3 -3.202 3.248 -0.997 1.00 0.00 H new ATOM 0 H42 C B 3 -1.470 3.376 -0.676 1.00 0.00 H new ATOM 0 H5 C B 3 -4.216 4.065 -3.020 1.00 0.00 H new ATOM 0 H6 C B 3 -3.817 5.122 -5.195 1.00 0.00 H new ATOM 351 P A B 4 -0.458 1.684 -9.004 1.00 0.00 P ATOM 352 OP1 A B 4 0.010 1.249 -10.339 1.00 0.00 O ATOM 353 OP2 A B 4 -1.445 0.858 -8.274 1.00 0.00 O ATOM 354 O5' A B 4 0.836 1.853 -8.052 1.00 0.00 O ATOM 355 C5' A B 4 2.045 2.422 -8.522 1.00 0.00 C ATOM 356 C4' A B 4 3.005 2.649 -7.347 1.00 0.00 C ATOM 357 O4' A B 4 2.339 3.176 -6.204 1.00 0.00 O ATOM 358 C3' A B 4 3.719 1.380 -6.914 1.00 0.00 C ATOM 359 O3' A B 4 4.858 1.076 -7.702 1.00 0.00 O ATOM 360 C2' A B 4 4.102 1.804 -5.501 1.00 0.00 C ATOM 361 O2' A B 4 5.262 2.616 -5.519 1.00 0.00 O ATOM 362 C1' A B 4 2.930 2.660 -5.019 1.00 0.00 C ATOM 363 N9 A B 4 1.905 2.018 -4.165 1.00 0.00 N ATOM 364 C8 A B 4 0.586 1.771 -4.447 1.00 0.00 C ATOM 365 N7 A B 4 -0.138 1.462 -3.405 1.00 0.00 N ATOM 366 C5 A B 4 0.769 1.494 -2.350 1.00 0.00 C ATOM 367 C6 A B 4 0.649 1.269 -0.960 1.00 0.00 C ATOM 368 N6 A B 4 -0.510 0.979 -0.357 1.00 0.00 N ATOM 369 N1 A B 4 1.757 1.356 -0.198 1.00 0.00 N ATOM 370 C2 A B 4 2.916 1.664 -0.774 1.00 0.00 C ATOM 371 N3 A B 4 3.156 1.914 -2.059 1.00 0.00 N ATOM 372 C4 A B 4 2.024 1.808 -2.809 1.00 0.00 C ATOM 0 H5' A B 4 1.841 3.367 -9.025 1.00 0.00 H new ATOM 0 H5'' A B 4 2.506 1.763 -9.258 1.00 0.00 H new ATOM 0 H4' A B 4 3.734 3.366 -7.723 1.00 0.00 H new ATOM 0 H3' A B 4 3.127 0.469 -7.001 1.00 0.00 H new ATOM 0 H2' A B 4 4.303 0.939 -4.869 1.00 0.00 H new ATOM 0 HO2' A B 4 5.730 2.499 -6.372 1.00 0.00 H new ATOM 0 H1' A B 4 3.336 3.409 -4.339 1.00 0.00 H new ATOM 0 H8 A B 4 0.180 1.827 -5.446 1.00 0.00 H new ATOM 0 H61 A B 4 -0.536 0.826 0.651 1.00 0.00 H new ATOM 0 H62 A B 4 -1.367 0.911 -0.906 1.00 0.00 H new ATOM 0 H2 A B 4 3.770 1.718 -0.115 1.00 0.00 H new ATOM 384 P DC B 5 5.436 -0.431 -7.814 1.00 0.00 P ATOM 385 OP1 DC B 5 6.780 -0.358 -8.431 1.00 0.00 O ATOM 386 OP2 DC B 5 4.389 -1.264 -8.444 1.00 0.00 O ATOM 387 O5' DC B 5 5.603 -0.924 -6.285 1.00 0.00 O ATOM 388 C5' DC B 5 6.720 -0.562 -5.494 1.00 0.00 C ATOM 389 C4' DC B 5 6.538 -1.078 -4.062 1.00 0.00 C ATOM 390 O4' DC B 5 5.316 -0.636 -3.509 1.00 0.00 O ATOM 391 C3' DC B 5 6.495 -2.603 -3.970 1.00 0.00 C ATOM 392 O3' DC B 5 7.808 -3.102 -3.761 1.00 0.00 O ATOM 393 C2' DC B 5 5.542 -2.842 -2.809 1.00 0.00 C ATOM 394 C1' DC B 5 5.040 -1.465 -2.407 1.00 0.00 C ATOM 395 N1 DC B 5 3.598 -1.547 -2.052 1.00 0.00 N ATOM 396 C2 DC B 5 3.298 -2.058 -0.789 1.00 0.00 C ATOM 397 O2 DC B 5 4.187 -2.338 0.010 1.00 0.00 O ATOM 398 N3 DC B 5 1.997 -2.250 -0.452 1.00 0.00 N ATOM 399 C4 DC B 5 1.015 -1.997 -1.321 1.00 0.00 C ATOM 400 N4 DC B 5 -0.248 -2.192 -0.930 1.00 0.00 N ATOM 401 C5 DC B 5 1.289 -1.486 -2.632 1.00 0.00 C ATOM 402 C6 DC B 5 2.599 -1.268 -2.962 1.00 0.00 C ATOM 0 H5' DC B 5 6.835 0.522 -5.487 1.00 0.00 H new ATOM 0 H5'' DC B 5 7.631 -0.976 -5.926 1.00 0.00 H new ATOM 0 H4' DC B 5 7.402 -0.689 -3.524 1.00 0.00 H new ATOM 0 H3' DC B 5 6.151 -3.119 -4.867 1.00 0.00 H new ATOM 0 H2' DC B 5 4.717 -3.490 -3.105 1.00 0.00 H new ATOM 0 H2'' DC B 5 6.050 -3.333 -1.979 1.00 0.00 H new ATOM 0 H1' DC B 5 5.525 -1.058 -1.520 1.00 0.00 H new ATOM 0 H41 DC B 5 -1.016 -2.006 -1.575 1.00 0.00 H new ATOM 0 H42 DC B 5 -0.444 -2.527 0.013 1.00 0.00 H new ATOM 0 H5 DC B 5 0.493 -1.281 -3.332 1.00 0.00 H new ATOM 0 H6 DC B 5 2.851 -0.877 -3.937 1.00 0.00 H new ATOM 414 P DT B 6 8.151 -4.678 -3.637 1.00 0.00 P ATOM 415 OP1 DT B 6 9.610 -4.842 -3.823 1.00 0.00 O ATOM 416 OP2 DT B 6 7.214 -5.428 -4.503 1.00 0.00 O ATOM 417 O5' DT B 6 7.804 -5.036 -2.103 1.00 0.00 O ATOM 418 C5' DT B 6 8.490 -4.436 -1.016 1.00 0.00 C ATOM 419 C4' DT B 6 7.849 -4.915 0.291 1.00 0.00 C ATOM 420 O4' DT B 6 6.473 -4.593 0.274 1.00 0.00 O ATOM 421 C3' DT B 6 7.999 -6.427 0.495 1.00 0.00 C ATOM 422 O3' DT B 6 8.601 -6.656 1.765 1.00 0.00 O ATOM 423 C2' DT B 6 6.548 -6.890 0.441 1.00 0.00 C ATOM 424 C1' DT B 6 5.797 -5.646 0.913 1.00 0.00 C ATOM 425 N1 DT B 6 4.353 -5.608 0.565 1.00 0.00 N ATOM 426 C2 DT B 6 3.414 -5.358 1.570 1.00 0.00 C ATOM 427 O2 DT B 6 3.701 -5.257 2.760 1.00 0.00 O ATOM 428 N3 DT B 6 2.097 -5.225 1.159 1.00 0.00 N ATOM 429 C4 DT B 6 1.635 -5.321 -0.145 1.00 0.00 C ATOM 430 O4 DT B 6 0.435 -5.213 -0.384 1.00 0.00 O ATOM 431 C5 DT B 6 2.678 -5.527 -1.135 1.00 0.00 C ATOM 432 C7 DT B 6 2.312 -5.565 -2.606 1.00 0.00 C ATOM 433 C6 DT B 6 3.974 -5.658 -0.753 1.00 0.00 C ATOM 0 H5' DT B 6 8.436 -3.350 -1.088 1.00 0.00 H new ATOM 0 H5'' DT B 6 9.546 -4.705 -1.040 1.00 0.00 H new ATOM 0 H4' DT B 6 8.362 -4.415 1.112 1.00 0.00 H new ATOM 0 H3' DT B 6 8.626 -6.949 -0.228 1.00 0.00 H new ATOM 0 H2' DT B 6 6.252 -7.187 -0.565 1.00 0.00 H new ATOM 0 H2'' DT B 6 6.369 -7.746 1.092 1.00 0.00 H new ATOM 0 H1' DT B 6 5.796 -5.603 2.002 1.00 0.00 H new ATOM 0 H3 DT B 6 1.403 -5.039 1.883 1.00 0.00 H new ATOM 0 H71 DT B 6 1.298 -5.950 -2.719 1.00 0.00 H new ATOM 0 H72 DT B 6 2.366 -4.558 -3.021 1.00 0.00 H new ATOM 0 H73 DT B 6 3.008 -6.214 -3.137 1.00 0.00 H new ATOM 0 H6 DT B 6 4.730 -5.806 -1.510 1.00 0.00 H new ATOM 446 P DG B 7 8.824 -8.132 2.394 1.00 0.00 P ATOM 447 OP1 DG B 7 9.912 -8.040 3.394 1.00 0.00 O ATOM 448 OP2 DG B 7 8.935 -9.099 1.280 1.00 0.00 O ATOM 449 O5' DG B 7 7.440 -8.427 3.182 1.00 0.00 O ATOM 450 C5' DG B 7 7.122 -7.780 4.401 1.00 0.00 C ATOM 451 C4' DG B 7 5.778 -8.262 4.970 1.00 0.00 C ATOM 452 O4' DG B 7 4.686 -7.795 4.196 1.00 0.00 O ATOM 453 C3' DG B 7 5.659 -9.794 5.024 1.00 0.00 C ATOM 454 O3' DG B 7 5.446 -10.172 6.379 1.00 0.00 O ATOM 455 C2' DG B 7 4.478 -10.083 4.108 1.00 0.00 C ATOM 456 C1' DG B 7 3.684 -8.791 4.244 1.00 0.00 C ATOM 457 N9 DG B 7 2.692 -8.593 3.177 1.00 0.00 N ATOM 458 C8 DG B 7 2.926 -8.645 1.844 1.00 0.00 C ATOM 459 N7 DG B 7 1.892 -8.394 1.092 1.00 0.00 N ATOM 460 C5 DG B 7 0.878 -8.157 2.016 1.00 0.00 C ATOM 461 C6 DG B 7 -0.499 -7.847 1.809 1.00 0.00 C ATOM 462 O6 DG B 7 -1.080 -7.653 0.744 1.00 0.00 O ATOM 463 N1 DG B 7 -1.213 -7.784 3.004 1.00 0.00 N ATOM 464 C2 DG B 7 -0.656 -7.951 4.259 1.00 0.00 C ATOM 465 N2 DG B 7 -1.480 -7.894 5.310 1.00 0.00 N ATOM 466 N3 DG B 7 0.648 -8.193 4.457 1.00 0.00 N ATOM 467 C4 DG B 7 1.357 -8.293 3.300 1.00 0.00 C ATOM 0 H5' DG B 7 7.083 -6.702 4.241 1.00 0.00 H new ATOM 0 H5'' DG B 7 7.912 -7.966 5.128 1.00 0.00 H new ATOM 0 H4' DG B 7 5.747 -7.856 5.981 1.00 0.00 H new ATOM 0 H3' DG B 7 6.536 -10.353 4.698 1.00 0.00 H new ATOM 0 H2' DG B 7 4.789 -10.270 3.080 1.00 0.00 H new ATOM 0 H2'' DG B 7 3.908 -10.954 4.432 1.00 0.00 H new ATOM 0 H1' DG B 7 3.087 -8.781 5.156 1.00 0.00 H new ATOM 0 H8 DG B 7 3.898 -8.877 1.435 1.00 0.00 H new ATOM 0 H1 DG B 7 -2.215 -7.602 2.949 1.00 0.00 H new ATOM 0 H21 DG B 7 -1.112 -8.012 6.254 1.00 0.00 H new ATOM 0 H22 DG B 7 -2.477 -7.733 5.168 1.00 0.00 H new ATOM 479 P DC B 8 5.070 -11.675 6.849 1.00 0.00 P ATOM 480 OP1 DC B 8 5.568 -11.863 8.229 1.00 0.00 O ATOM 481 OP2 DC B 8 5.479 -12.621 5.786 1.00 0.00 O ATOM 482 O5' DC B 8 3.452 -11.639 6.900 1.00 0.00 O ATOM 483 C5' DC B 8 2.763 -10.866 7.869 1.00 0.00 C ATOM 484 C4' DC B 8 1.241 -11.037 7.739 1.00 0.00 C ATOM 485 O4' DC B 8 0.829 -10.540 6.481 1.00 0.00 O ATOM 486 C3' DC B 8 0.712 -12.480 7.839 1.00 0.00 C ATOM 487 O3' DC B 8 0.115 -12.700 9.100 1.00 0.00 O ATOM 488 C2' DC B 8 -0.335 -12.559 6.727 1.00 0.00 C ATOM 489 C1' DC B 8 -0.395 -11.154 6.129 1.00 0.00 C ATOM 490 N1 DC B 8 -0.537 -11.208 4.649 1.00 0.00 N ATOM 491 C2 DC B 8 -1.784 -10.977 4.063 1.00 0.00 C ATOM 492 O2 DC B 8 -2.787 -10.802 4.750 1.00 0.00 O ATOM 493 N3 DC B 8 -1.864 -10.941 2.701 1.00 0.00 N ATOM 494 C4 DC B 8 -0.782 -11.149 1.934 1.00 0.00 C ATOM 495 N4 DC B 8 -0.902 -11.041 0.608 1.00 0.00 N ATOM 496 C5 DC B 8 0.498 -11.443 2.516 1.00 0.00 C ATOM 497 C6 DC B 8 0.562 -11.458 3.868 1.00 0.00 C ATOM 0 H5' DC B 8 3.024 -9.814 7.752 1.00 0.00 H new ATOM 0 H5'' DC B 8 3.081 -11.164 8.868 1.00 0.00 H new ATOM 0 H4' DC B 8 0.832 -10.492 8.590 1.00 0.00 H new ATOM 0 H3' DC B 8 1.497 -13.229 7.735 1.00 0.00 H new ATOM 0 H2' DC B 8 -0.054 -13.295 5.974 1.00 0.00 H new ATOM 0 H2'' DC B 8 -1.305 -12.860 7.121 1.00 0.00 H new ATOM 0 HO3' DC B 8 -0.218 -13.620 9.148 1.00 0.00 H new ATOM 0 H1' DC B 8 -1.255 -10.600 6.506 1.00 0.00 H new ATOM 0 H41 DC B 8 -0.091 -11.195 0.008 1.00 0.00 H new ATOM 0 H42 DC B 8 -1.804 -10.804 0.195 1.00 0.00 H new ATOM 0 H5 DC B 8 1.366 -11.642 1.905 1.00 0.00 H new ATOM 0 H6 DC B 8 1.506 -11.673 4.346 1.00 0.00 H new TER 510 DC B 8