USER MOD reduce.3.24.130724 H: found=0, std=0, add=174, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 174 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 G O2' : rot 180:sc= 0 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 A O2' : rot -18:sc= 0.00891 USER MOD Single : A 3 G O2' : rot -18:sc= 0.0122 USER MOD Single : A 4 G O2' : rot -19:sc= 0.0134 USER MOD Single : A 5 A O2' : rot -20:sc= 0.0761 USER MOD Single : A 6 C O2' : rot -20:sc= 0.0742 USER MOD Single : A 7 A O2' : rot -14:sc= 0.214 USER MOD Single : A 8 U O2' : rot 22:sc= 0.0631 USER MOD Single : A 9 A O2' : rot 112:sc= 1.29 USER MOD Single : A 10 G O2' : rot -12:sc= 0.0658 USER MOD Single : A 11 A O2' : rot 7:sc= 0.0718 USER MOD Single : A 12 U O2' : rot 180:sc= 0 USER MOD Single : A 13 C O2' : rot -120:sc= 0.00366 USER MOD Single : A 14 U O2' : rot -122:sc= 0.024 USER MOD Single : A 15 U O2' : rot 180:sc= 0 USER MOD Single : A 16 C O2' : rot -19:sc= 0.0159 USER MOD Single : A 16 C O3' : rot 180:sc= 0.0158 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -12.694 -3.712 9.539 1.00 0.00 O ATOM 2 C5' G A 1 -11.396 -3.200 9.318 1.00 0.00 C ATOM 3 C4' G A 1 -10.357 -3.950 10.166 1.00 0.00 C ATOM 4 O4' G A 1 -10.263 -5.324 9.799 1.00 0.00 O ATOM 5 C3' G A 1 -8.942 -3.380 9.998 1.00 0.00 C ATOM 6 O3' G A 1 -8.723 -2.212 10.783 1.00 0.00 O ATOM 7 C2' G A 1 -8.096 -4.591 10.404 1.00 0.00 C ATOM 8 O2' G A 1 -8.016 -4.788 11.806 1.00 0.00 O ATOM 9 C1' G A 1 -8.897 -5.728 9.763 1.00 0.00 C ATOM 10 N9 G A 1 -8.457 -6.004 8.364 1.00 0.00 N ATOM 11 C8 G A 1 -9.055 -5.643 7.178 1.00 0.00 C ATOM 12 N7 G A 1 -8.429 -6.052 6.111 1.00 0.00 N ATOM 13 C5 G A 1 -7.329 -6.742 6.607 1.00 0.00 C ATOM 14 C6 G A 1 -6.271 -7.421 5.907 1.00 0.00 C ATOM 15 O6 G A 1 -6.121 -7.528 4.691 1.00 0.00 O ATOM 16 N1 G A 1 -5.326 -8.007 6.767 1.00 0.00 N ATOM 17 C2 G A 1 -5.405 -7.938 8.158 1.00 0.00 C ATOM 18 N2 G A 1 -4.426 -8.543 8.845 1.00 0.00 N ATOM 19 N3 G A 1 -6.403 -7.298 8.814 1.00 0.00 N ATOM 20 C4 G A 1 -7.338 -6.719 7.991 1.00 0.00 C ATOM 0 H5' G A 1 -11.373 -2.138 9.564 1.00 0.00 H new ATOM 0 H5'' G A 1 -11.141 -3.288 8.262 1.00 0.00 H new ATOM 0 H4' G A 1 -10.705 -3.833 11.192 1.00 0.00 H new ATOM 0 H3' G A 1 -8.709 -3.011 8.999 1.00 0.00 H new ATOM 0 H2' G A 1 -7.056 -4.498 10.092 1.00 0.00 H new ATOM 0 HO2' G A 1 -7.464 -5.576 11.995 1.00 0.00 H new ATOM 0 HO5' G A 1 -13.338 -3.218 8.990 1.00 0.00 H new ATOM 0 H1' G A 1 -8.741 -6.658 10.309 1.00 0.00 H new ATOM 0 H8 G A 1 -9.968 -5.068 7.135 1.00 0.00 H new ATOM 0 H1 G A 1 -4.541 -8.509 6.352 1.00 0.00 H new ATOM 0 H21 G A 1 -4.432 -8.525 9.865 1.00 0.00 H new ATOM 0 H22 G A 1 -3.675 -9.022 8.348 1.00 0.00 H new ATOM 33 P A A 2 -7.575 -1.122 10.424 1.00 0.00 P ATOM 34 OP1 A A 2 -7.637 -0.044 11.438 1.00 0.00 O ATOM 35 OP2 A A 2 -7.693 -0.773 8.989 1.00 0.00 O ATOM 36 O5' A A 2 -6.188 -1.936 10.618 1.00 0.00 O ATOM 37 C5' A A 2 -5.691 -2.305 11.895 1.00 0.00 C ATOM 38 C4' A A 2 -4.450 -3.202 11.776 1.00 0.00 C ATOM 39 O4' A A 2 -4.715 -4.413 11.078 1.00 0.00 O ATOM 40 C3' A A 2 -3.286 -2.551 11.024 1.00 0.00 C ATOM 41 O3' A A 2 -2.616 -1.575 11.814 1.00 0.00 O ATOM 42 C2' A A 2 -2.459 -3.789 10.664 1.00 0.00 C ATOM 43 O2' A A 2 -1.679 -4.285 11.740 1.00 0.00 O ATOM 44 C1' A A 2 -3.573 -4.785 10.307 1.00 0.00 C ATOM 45 N9 A A 2 -3.884 -4.766 8.846 1.00 0.00 N ATOM 46 C8 A A 2 -4.955 -4.204 8.188 1.00 0.00 C ATOM 47 N7 A A 2 -4.945 -4.365 6.896 1.00 0.00 N ATOM 48 C5 A A 2 -3.785 -5.094 6.658 1.00 0.00 C ATOM 49 C6 A A 2 -3.179 -5.610 5.474 1.00 0.00 C ATOM 50 N6 A A 2 -3.705 -5.442 4.251 1.00 0.00 N ATOM 51 N1 A A 2 -2.014 -6.301 5.584 1.00 0.00 N ATOM 52 C2 A A 2 -1.477 -6.472 6.802 1.00 0.00 C ATOM 53 N3 A A 2 -1.949 -6.044 7.982 1.00 0.00 N ATOM 54 C4 A A 2 -3.129 -5.348 7.849 1.00 0.00 C ATOM 0 H5' A A 2 -6.468 -2.828 12.452 1.00 0.00 H new ATOM 0 H5'' A A 2 -5.441 -1.409 12.463 1.00 0.00 H new ATOM 0 H4' A A 2 -4.181 -3.384 12.816 1.00 0.00 H new ATOM 0 H3' A A 2 -3.556 -1.960 10.149 1.00 0.00 H new ATOM 0 H2' A A 2 -1.725 -3.594 9.882 1.00 0.00 H new ATOM 0 HO2' A A 2 -1.585 -3.589 12.424 1.00 0.00 H new ATOM 0 H1' A A 2 -3.260 -5.804 10.534 1.00 0.00 H new ATOM 0 H8 A A 2 -5.741 -3.672 8.703 1.00 0.00 H new ATOM 0 H61 A A 2 -3.233 -5.831 3.435 1.00 0.00 H new ATOM 0 H62 A A 2 -4.577 -4.925 4.138 1.00 0.00 H new ATOM 0 H2 A A 2 -0.549 -7.023 6.836 1.00 0.00 H new ATOM 66 P G A 3 -1.808 -0.330 11.158 1.00 0.00 P ATOM 67 OP1 G A 3 -1.326 0.533 12.261 1.00 0.00 O ATOM 68 OP2 G A 3 -2.638 0.263 10.084 1.00 0.00 O ATOM 69 O5' G A 3 -0.534 -1.042 10.460 1.00 0.00 O ATOM 70 C5' G A 3 0.522 -1.614 11.218 1.00 0.00 C ATOM 71 C4' G A 3 1.533 -2.334 10.315 1.00 0.00 C ATOM 72 O4' G A 3 0.942 -3.417 9.611 1.00 0.00 O ATOM 73 C3' G A 3 2.152 -1.443 9.233 1.00 0.00 C ATOM 74 O3' G A 3 3.124 -0.547 9.761 1.00 0.00 O ATOM 75 C2' G A 3 2.691 -2.509 8.277 1.00 0.00 C ATOM 76 O2' G A 3 3.920 -3.079 8.698 1.00 0.00 O ATOM 77 C1' G A 3 1.567 -3.554 8.336 1.00 0.00 C ATOM 78 N9 G A 3 0.575 -3.374 7.236 1.00 0.00 N ATOM 79 C8 G A 3 -0.711 -2.886 7.287 1.00 0.00 C ATOM 80 N7 G A 3 -1.330 -2.869 6.140 1.00 0.00 N ATOM 81 C5 G A 3 -0.402 -3.388 5.247 1.00 0.00 C ATOM 82 C6 G A 3 -0.508 -3.619 3.829 1.00 0.00 C ATOM 83 O6 G A 3 -1.473 -3.397 3.100 1.00 0.00 O ATOM 84 N1 G A 3 0.663 -4.154 3.268 1.00 0.00 N ATOM 85 C2 G A 3 1.811 -4.438 4.006 1.00 0.00 C ATOM 86 N2 G A 3 2.851 -4.947 3.331 1.00 0.00 N ATOM 87 N3 G A 3 1.905 -4.230 5.341 1.00 0.00 N ATOM 88 C4 G A 3 0.771 -3.703 5.910 1.00 0.00 C ATOM 0 H5' G A 3 0.112 -2.318 11.942 1.00 0.00 H new ATOM 0 H5'' G A 3 1.029 -0.833 11.785 1.00 0.00 H new ATOM 0 H4' G A 3 2.300 -2.663 11.016 1.00 0.00 H new ATOM 0 H3' G A 3 1.472 -0.744 8.746 1.00 0.00 H new ATOM 0 H2' G A 3 2.916 -2.112 7.287 1.00 0.00 H new ATOM 0 HO2' G A 3 4.340 -2.495 9.364 1.00 0.00 H new ATOM 0 H1' G A 3 1.981 -4.554 8.204 1.00 0.00 H new ATOM 0 H8 G A 3 -1.170 -2.545 8.203 1.00 0.00 H new ATOM 0 H1 G A 3 0.674 -4.345 2.266 1.00 0.00 H new ATOM 0 H21 G A 3 3.716 -5.173 3.822 1.00 0.00 H new ATOM 0 H22 G A 3 2.777 -5.108 2.327 1.00 0.00 H new ATOM 100 P G A 4 3.462 0.881 9.067 1.00 0.00 P ATOM 101 OP1 G A 4 4.456 1.577 9.916 1.00 0.00 O ATOM 102 OP2 G A 4 2.188 1.560 8.738 1.00 0.00 O ATOM 103 O5' G A 4 4.172 0.463 7.673 1.00 0.00 O ATOM 104 C5' G A 4 5.475 -0.101 7.624 1.00 0.00 C ATOM 105 C4' G A 4 5.819 -0.586 6.208 1.00 0.00 C ATOM 106 O4' G A 4 4.912 -1.587 5.768 1.00 0.00 O ATOM 107 C3' G A 4 5.765 0.507 5.136 1.00 0.00 C ATOM 108 O3' G A 4 6.901 1.365 5.165 1.00 0.00 O ATOM 109 C2' G A 4 5.638 -0.344 3.872 1.00 0.00 C ATOM 110 O2' G A 4 6.870 -0.886 3.423 1.00 0.00 O ATOM 111 C1' G A 4 4.716 -1.470 4.362 1.00 0.00 C ATOM 112 N9 G A 4 3.290 -1.196 4.032 1.00 0.00 N ATOM 113 C8 G A 4 2.247 -0.826 4.851 1.00 0.00 C ATOM 114 N7 G A 4 1.107 -0.675 4.239 1.00 0.00 N ATOM 115 C5 G A 4 1.394 -0.968 2.911 1.00 0.00 C ATOM 116 C6 G A 4 0.536 -0.977 1.754 1.00 0.00 C ATOM 117 O6 G A 4 -0.665 -0.722 1.705 1.00 0.00 O ATOM 118 N1 G A 4 1.213 -1.319 0.571 1.00 0.00 N ATOM 119 C2 G A 4 2.573 -1.621 0.519 1.00 0.00 C ATOM 120 N2 G A 4 3.083 -1.926 -0.681 1.00 0.00 N ATOM 121 N3 G A 4 3.373 -1.622 1.610 1.00 0.00 N ATOM 122 C4 G A 4 2.733 -1.288 2.776 1.00 0.00 C ATOM 0 H5' G A 4 5.539 -0.935 8.322 1.00 0.00 H new ATOM 0 H5'' G A 4 6.207 0.640 7.945 1.00 0.00 H new ATOM 0 H4' G A 4 6.840 -0.955 6.307 1.00 0.00 H new ATOM 0 H3' G A 4 4.955 1.228 5.251 1.00 0.00 H new ATOM 0 H2' G A 4 5.277 0.231 3.019 1.00 0.00 H new ATOM 0 HO2' G A 4 7.612 -0.380 3.815 1.00 0.00 H new ATOM 0 H1' G A 4 4.962 -2.406 3.861 1.00 0.00 H new ATOM 0 H8 G A 4 2.364 -0.673 5.914 1.00 0.00 H new ATOM 0 H1 G A 4 0.680 -1.348 -0.298 1.00 0.00 H new ATOM 0 H21 G A 4 4.073 -2.154 -0.771 1.00 0.00 H new ATOM 0 H22 G A 4 2.481 -1.930 -1.505 1.00 0.00 H new ATOM 134 P A A 5 6.847 2.898 4.633 1.00 0.00 P ATOM 135 OP1 A A 5 8.175 3.509 4.865 1.00 0.00 O ATOM 136 OP2 A A 5 5.644 3.543 5.208 1.00 0.00 O ATOM 137 O5' A A 5 6.616 2.758 3.033 1.00 0.00 O ATOM 138 C5' A A 5 7.618 2.254 2.157 1.00 0.00 C ATOM 139 C4' A A 5 7.058 2.011 0.746 1.00 0.00 C ATOM 140 O4' A A 5 5.920 1.171 0.794 1.00 0.00 O ATOM 141 C3' A A 5 6.609 3.287 0.026 1.00 0.00 C ATOM 142 O3' A A 5 7.720 3.963 -0.559 1.00 0.00 O ATOM 143 C2' A A 5 5.603 2.725 -0.986 1.00 0.00 C ATOM 144 O2' A A 5 6.191 2.343 -2.219 1.00 0.00 O ATOM 145 C1' A A 5 5.037 1.485 -0.274 1.00 0.00 C ATOM 146 N9 A A 5 3.650 1.701 0.232 1.00 0.00 N ATOM 147 C8 A A 5 3.199 1.792 1.530 1.00 0.00 C ATOM 148 N7 A A 5 1.911 1.960 1.644 1.00 0.00 N ATOM 149 C5 A A 5 1.454 1.973 0.331 1.00 0.00 C ATOM 150 C6 A A 5 0.160 2.108 -0.257 1.00 0.00 C ATOM 151 N6 A A 5 -0.962 2.265 0.464 1.00 0.00 N ATOM 152 N1 A A 5 0.054 2.093 -1.611 1.00 0.00 N ATOM 153 C2 A A 5 1.165 1.941 -2.345 1.00 0.00 C ATOM 154 N3 A A 5 2.427 1.791 -1.915 1.00 0.00 N ATOM 155 C4 A A 5 2.515 1.817 -0.544 1.00 0.00 C ATOM 0 H5' A A 5 8.018 1.322 2.557 1.00 0.00 H new ATOM 0 H5'' A A 5 8.447 2.960 2.105 1.00 0.00 H new ATOM 0 H4' A A 5 7.888 1.561 0.201 1.00 0.00 H new ATOM 0 H3' A A 5 6.168 4.055 0.662 1.00 0.00 H new ATOM 0 H2' A A 5 4.860 3.476 -1.254 1.00 0.00 H new ATOM 0 HO2' A A 5 7.053 2.798 -2.325 1.00 0.00 H new ATOM 0 H1' A A 5 4.969 0.660 -0.983 1.00 0.00 H new ATOM 0 H8 A A 5 3.858 1.729 2.383 1.00 0.00 H new ATOM 0 H61 A A 5 -1.862 2.357 -0.007 1.00 0.00 H new ATOM 0 H62 A A 5 -0.914 2.292 1.483 1.00 0.00 H new ATOM 0 H2 A A 5 1.027 1.939 -3.416 1.00 0.00 H new ATOM 167 P C A 6 7.852 5.578 -0.609 1.00 0.00 P ATOM 168 OP1 C A 6 9.098 5.908 -1.339 1.00 0.00 O ATOM 169 OP2 C A 6 7.667 6.092 0.766 1.00 0.00 O ATOM 170 O5' C A 6 6.583 6.049 -1.508 1.00 0.00 O ATOM 171 C5' C A 6 6.573 5.927 -2.927 1.00 0.00 C ATOM 172 C4' C A 6 5.161 6.077 -3.516 1.00 0.00 C ATOM 173 O4' C A 6 4.295 5.113 -2.946 1.00 0.00 O ATOM 174 C3' C A 6 4.476 7.423 -3.258 1.00 0.00 C ATOM 175 O3' C A 6 4.928 8.457 -4.128 1.00 0.00 O ATOM 176 C2' C A 6 3.004 7.045 -3.468 1.00 0.00 C ATOM 177 O2' C A 6 2.580 7.136 -4.819 1.00 0.00 O ATOM 178 C1' C A 6 2.954 5.578 -3.007 1.00 0.00 C ATOM 179 N1 C A 6 2.221 5.452 -1.704 1.00 0.00 N ATOM 180 C2 C A 6 0.806 5.433 -1.732 1.00 0.00 C ATOM 181 O2 C A 6 0.177 5.504 -2.788 1.00 0.00 O ATOM 182 N3 C A 6 0.125 5.332 -0.545 1.00 0.00 N ATOM 183 C4 C A 6 0.771 5.246 0.637 1.00 0.00 C ATOM 184 N4 C A 6 0.049 5.129 1.760 1.00 0.00 N ATOM 185 C5 C A 6 2.216 5.268 0.691 1.00 0.00 C ATOM 186 C6 C A 6 2.889 5.374 -0.487 1.00 0.00 C ATOM 0 H5' C A 6 6.980 4.956 -3.209 1.00 0.00 H new ATOM 0 H5'' C A 6 7.227 6.685 -3.359 1.00 0.00 H new ATOM 0 H4' C A 6 5.319 5.965 -4.589 1.00 0.00 H new ATOM 0 H3' C A 6 4.685 7.850 -2.277 1.00 0.00 H new ATOM 0 H2' C A 6 2.343 7.721 -2.926 1.00 0.00 H new ATOM 0 HO2' C A 6 3.190 7.721 -5.315 1.00 0.00 H new ATOM 0 H1' C A 6 2.395 4.957 -3.707 1.00 0.00 H new ATOM 0 H41 C A 6 0.518 5.063 2.663 1.00 0.00 H new ATOM 0 H42 C A 6 -0.970 5.106 1.711 1.00 0.00 H new ATOM 0 H5 C A 6 2.742 5.203 1.632 1.00 0.00 H new ATOM 0 H6 C A 6 3.969 5.398 -0.476 1.00 0.00 H new ATOM 198 P A A 7 5.261 9.963 -3.616 1.00 0.00 P ATOM 199 OP1 A A 7 5.217 10.860 -4.793 1.00 0.00 O ATOM 200 OP2 A A 7 6.496 9.894 -2.803 1.00 0.00 O ATOM 201 O5' A A 7 4.047 10.373 -2.619 1.00 0.00 O ATOM 202 C5' A A 7 2.705 10.548 -3.053 1.00 0.00 C ATOM 203 C4' A A 7 1.728 10.586 -1.860 1.00 0.00 C ATOM 204 O4' A A 7 1.920 9.449 -1.024 1.00 0.00 O ATOM 205 C3' A A 7 1.873 11.838 -0.977 1.00 0.00 C ATOM 206 O3' A A 7 0.583 12.278 -0.562 1.00 0.00 O ATOM 207 C2' A A 7 2.721 11.305 0.182 1.00 0.00 C ATOM 208 O2' A A 7 2.585 12.015 1.399 1.00 0.00 O ATOM 209 C1' A A 7 2.255 9.852 0.296 1.00 0.00 C ATOM 210 N9 A A 7 3.330 8.976 0.839 1.00 0.00 N ATOM 211 C8 A A 7 4.573 8.738 0.299 1.00 0.00 C ATOM 212 N7 A A 7 5.320 7.927 0.985 1.00 0.00 N ATOM 213 C5 A A 7 4.529 7.583 2.072 1.00 0.00 C ATOM 214 C6 A A 7 4.740 6.732 3.197 1.00 0.00 C ATOM 215 N6 A A 7 5.880 6.056 3.396 1.00 0.00 N ATOM 216 N1 A A 7 3.743 6.599 4.113 1.00 0.00 N ATOM 217 C2 A A 7 2.602 7.278 3.920 1.00 0.00 C ATOM 218 N3 A A 7 2.291 8.107 2.913 1.00 0.00 N ATOM 219 C4 A A 7 3.306 8.225 1.996 1.00 0.00 C ATOM 0 H5' A A 7 2.429 9.735 -3.725 1.00 0.00 H new ATOM 0 H5'' A A 7 2.623 11.474 -3.622 1.00 0.00 H new ATOM 0 H4' A A 7 0.734 10.597 -2.307 1.00 0.00 H new ATOM 0 H3' A A 7 2.326 12.704 -1.459 1.00 0.00 H new ATOM 0 H2' A A 7 3.787 11.417 -0.016 1.00 0.00 H new ATOM 0 HO2' A A 7 2.138 12.871 1.230 1.00 0.00 H new ATOM 0 H1' A A 7 1.410 9.769 0.979 1.00 0.00 H new ATOM 0 H8 A A 7 4.902 9.191 -0.625 1.00 0.00 H new ATOM 0 H61 A A 7 5.983 5.459 4.217 1.00 0.00 H new ATOM 0 H62 A A 7 6.645 6.138 2.726 1.00 0.00 H new ATOM 0 H2 A A 7 1.838 7.139 4.670 1.00 0.00 H new ATOM 231 P U A 8 0.180 13.846 -0.511 1.00 0.00 P ATOM 232 OP1 U A 8 -0.061 14.315 -1.895 1.00 0.00 O ATOM 233 OP2 U A 8 1.154 14.559 0.345 1.00 0.00 O ATOM 234 O5' U A 8 -1.225 13.800 0.282 1.00 0.00 O ATOM 235 C5' U A 8 -2.415 13.284 -0.297 1.00 0.00 C ATOM 236 C4' U A 8 -3.420 12.872 0.786 1.00 0.00 C ATOM 237 O4' U A 8 -2.861 11.799 1.520 1.00 0.00 O ATOM 238 C3' U A 8 -3.783 13.995 1.787 1.00 0.00 C ATOM 239 O3' U A 8 -5.188 14.065 2.052 1.00 0.00 O ATOM 240 C2' U A 8 -2.975 13.572 3.022 1.00 0.00 C ATOM 241 O2' U A 8 -3.489 14.035 4.258 1.00 0.00 O ATOM 242 C1' U A 8 -3.005 12.049 2.903 1.00 0.00 C ATOM 243 N1 U A 8 -1.932 11.361 3.690 1.00 0.00 N ATOM 244 C2 U A 8 -2.290 10.656 4.861 1.00 0.00 C ATOM 245 O2 U A 8 -3.443 10.581 5.286 1.00 0.00 O ATOM 246 N3 U A 8 -1.251 10.018 5.550 1.00 0.00 N ATOM 247 C4 U A 8 0.097 10.024 5.175 1.00 0.00 C ATOM 248 O4 U A 8 0.933 9.434 5.856 1.00 0.00 O ATOM 249 C5 U A 8 0.380 10.771 3.954 1.00 0.00 C ATOM 250 C6 U A 8 -0.610 11.398 3.262 1.00 0.00 C ATOM 0 H5' U A 8 -2.176 12.424 -0.922 1.00 0.00 H new ATOM 0 H5'' U A 8 -2.863 14.036 -0.947 1.00 0.00 H new ATOM 0 H4' U A 8 -4.341 12.606 0.267 1.00 0.00 H new ATOM 0 H3' U A 8 -3.551 14.997 1.426 1.00 0.00 H new ATOM 0 H2' U A 8 -1.975 14.006 3.033 1.00 0.00 H new ATOM 0 HO2' U A 8 -4.439 14.254 4.156 1.00 0.00 H new ATOM 0 H1' U A 8 -3.931 11.651 3.318 1.00 0.00 H new ATOM 0 H3 U A 8 -1.498 9.506 6.397 1.00 0.00 H new ATOM 0 H5 U A 8 1.396 10.828 3.592 1.00 0.00 H new ATOM 0 H6 U A 8 -0.363 11.937 2.359 1.00 0.00 H new ATOM 261 P A A 9 -6.291 14.509 0.940 1.00 0.00 P ATOM 262 OP1 A A 9 -5.627 15.320 -0.110 1.00 0.00 O ATOM 263 OP2 A A 9 -7.474 15.046 1.647 1.00 0.00 O ATOM 264 O5' A A 9 -6.680 13.058 0.340 1.00 0.00 O ATOM 265 C5' A A 9 -7.018 12.834 -1.020 1.00 0.00 C ATOM 266 C4' A A 9 -7.066 11.324 -1.305 1.00 0.00 C ATOM 267 O4' A A 9 -5.802 10.773 -0.971 1.00 0.00 O ATOM 268 C3' A A 9 -8.137 10.580 -0.484 1.00 0.00 C ATOM 269 O3' A A 9 -9.046 9.907 -1.352 1.00 0.00 O ATOM 270 C2' A A 9 -7.301 9.647 0.400 1.00 0.00 C ATOM 271 O2' A A 9 -7.896 8.402 0.705 1.00 0.00 O ATOM 272 C1' A A 9 -5.984 9.514 -0.361 1.00 0.00 C ATOM 273 N9 A A 9 -4.804 9.198 0.481 1.00 0.00 N ATOM 274 C8 A A 9 -4.660 9.057 1.842 1.00 0.00 C ATOM 275 N7 A A 9 -3.452 8.757 2.231 1.00 0.00 N ATOM 276 C5 A A 9 -2.729 8.699 1.045 1.00 0.00 C ATOM 277 C6 A A 9 -1.365 8.440 0.728 1.00 0.00 C ATOM 278 N6 A A 9 -0.452 8.177 1.666 1.00 0.00 N ATOM 279 N1 A A 9 -0.978 8.460 -0.578 1.00 0.00 N ATOM 280 C2 A A 9 -1.905 8.734 -1.509 1.00 0.00 C ATOM 281 N3 A A 9 -3.198 8.996 -1.340 1.00 0.00 N ATOM 282 C4 A A 9 -3.557 8.966 -0.023 1.00 0.00 C ATOM 0 H5' A A 9 -6.285 13.312 -1.670 1.00 0.00 H new ATOM 0 H5'' A A 9 -7.985 13.286 -1.243 1.00 0.00 H new ATOM 0 H4' A A 9 -7.317 11.201 -2.359 1.00 0.00 H new ATOM 0 H3' A A 9 -8.781 11.219 0.120 1.00 0.00 H new ATOM 0 H2' A A 9 -7.180 10.065 1.399 1.00 0.00 H new ATOM 0 HO2' A A 9 -7.395 7.684 0.266 1.00 0.00 H new ATOM 0 H1' A A 9 -6.052 8.675 -1.054 1.00 0.00 H new ATOM 0 H8 A A 9 -5.481 9.184 2.532 1.00 0.00 H new ATOM 0 H61 A A 9 0.516 7.996 1.399 1.00 0.00 H new ATOM 0 H62 A A 9 -0.722 8.157 2.649 1.00 0.00 H new ATOM 0 H2 A A 9 -1.555 8.743 -2.531 1.00 0.00 H new ATOM 294 P G A 10 -10.643 9.905 -1.073 1.00 0.00 P ATOM 295 OP1 G A 10 -11.129 11.291 -1.260 1.00 0.00 O ATOM 296 OP2 G A 10 -10.894 9.216 0.214 1.00 0.00 O ATOM 297 O5' G A 10 -11.277 9.010 -2.271 1.00 0.00 O ATOM 298 C5' G A 10 -11.191 7.593 -2.337 1.00 0.00 C ATOM 299 C4' G A 10 -9.871 7.100 -2.955 1.00 0.00 C ATOM 300 O4' G A 10 -8.795 7.141 -2.043 1.00 0.00 O ATOM 301 C3' G A 10 -9.923 5.612 -3.354 1.00 0.00 C ATOM 302 O3' G A 10 -10.576 5.269 -4.582 1.00 0.00 O ATOM 303 C2' G A 10 -8.466 5.132 -3.204 1.00 0.00 C ATOM 304 O2' G A 10 -7.836 4.724 -4.403 1.00 0.00 O ATOM 305 C1' G A 10 -7.760 6.356 -2.608 1.00 0.00 C ATOM 306 N9 G A 10 -6.745 5.990 -1.590 1.00 0.00 N ATOM 307 C8 G A 10 -6.934 5.645 -0.275 1.00 0.00 C ATOM 308 N7 G A 10 -5.838 5.397 0.383 1.00 0.00 N ATOM 309 C5 G A 10 -4.833 5.582 -0.559 1.00 0.00 C ATOM 310 C6 G A 10 -3.405 5.443 -0.425 1.00 0.00 C ATOM 311 O6 G A 10 -2.770 5.130 0.580 1.00 0.00 O ATOM 312 N1 G A 10 -2.716 5.705 -1.621 1.00 0.00 N ATOM 313 C2 G A 10 -3.345 6.071 -2.814 1.00 0.00 C ATOM 314 N2 G A 10 -2.556 6.304 -3.870 1.00 0.00 N ATOM 315 N3 G A 10 -4.687 6.203 -2.931 1.00 0.00 N ATOM 316 C4 G A 10 -5.381 5.945 -1.777 1.00 0.00 C ATOM 0 H5' G A 10 -12.026 7.211 -2.924 1.00 0.00 H new ATOM 0 H5'' G A 10 -11.292 7.181 -1.333 1.00 0.00 H new ATOM 0 H4' G A 10 -9.732 7.765 -3.807 1.00 0.00 H new ATOM 0 H3' G A 10 -10.606 5.071 -2.700 1.00 0.00 H new ATOM 0 H2' G A 10 -8.423 4.230 -2.593 1.00 0.00 H new ATOM 0 HO2' G A 10 -8.507 4.637 -5.112 1.00 0.00 H new ATOM 0 H1' G A 10 -7.203 6.896 -3.374 1.00 0.00 H new ATOM 0 H8 G A 10 -7.913 5.584 0.177 1.00 0.00 H new ATOM 0 H1 G A 10 -1.699 5.623 -1.618 1.00 0.00 H new ATOM 0 H21 G A 10 -2.967 6.574 -4.764 1.00 0.00 H new ATOM 0 H22 G A 10 -1.544 6.211 -3.781 1.00 0.00 H new ATOM 328 P A A 11 -10.672 6.201 -5.918 1.00 0.00 P ATOM 329 OP1 A A 11 -11.620 7.306 -5.645 1.00 0.00 O ATOM 330 OP2 A A 11 -10.927 5.295 -7.061 1.00 0.00 O ATOM 331 O5' A A 11 -9.198 6.837 -6.121 1.00 0.00 O ATOM 332 C5' A A 11 -8.897 7.694 -7.212 1.00 0.00 C ATOM 333 C4' A A 11 -7.393 7.753 -7.538 1.00 0.00 C ATOM 334 O4' A A 11 -6.757 8.759 -6.780 1.00 0.00 O ATOM 335 C3' A A 11 -6.580 6.462 -7.288 1.00 0.00 C ATOM 336 O3' A A 11 -6.288 5.786 -8.511 1.00 0.00 O ATOM 337 C2' A A 11 -5.357 6.966 -6.503 1.00 0.00 C ATOM 338 O2' A A 11 -4.126 6.358 -6.845 1.00 0.00 O ATOM 339 C1' A A 11 -5.375 8.462 -6.779 1.00 0.00 C ATOM 340 N9 A A 11 -4.673 9.245 -5.732 1.00 0.00 N ATOM 341 C8 A A 11 -5.192 9.745 -4.566 1.00 0.00 C ATOM 342 N7 A A 11 -4.346 10.428 -3.847 1.00 0.00 N ATOM 343 C5 A A 11 -3.162 10.371 -4.579 1.00 0.00 C ATOM 344 C6 A A 11 -1.849 10.893 -4.369 1.00 0.00 C ATOM 345 N6 A A 11 -1.511 11.613 -3.291 1.00 0.00 N ATOM 346 N1 A A 11 -0.890 10.652 -5.302 1.00 0.00 N ATOM 347 C2 A A 11 -1.214 9.934 -6.387 1.00 0.00 C ATOM 348 N3 A A 11 -2.402 9.392 -6.699 1.00 0.00 N ATOM 349 C4 A A 11 -3.355 9.645 -5.741 1.00 0.00 C ATOM 0 H5' A A 11 -9.253 8.699 -6.986 1.00 0.00 H new ATOM 0 H5'' A A 11 -9.441 7.354 -8.094 1.00 0.00 H new ATOM 0 H4' A A 11 -7.393 7.942 -8.611 1.00 0.00 H new ATOM 0 H3' A A 11 -7.108 5.694 -6.722 1.00 0.00 H new ATOM 0 H2' A A 11 -5.428 6.710 -5.446 1.00 0.00 H new ATOM 0 HO2' A A 11 -4.255 5.772 -7.620 1.00 0.00 H new ATOM 0 H1' A A 11 -4.860 8.719 -7.705 1.00 0.00 H new ATOM 0 H8 A A 11 -6.218 9.586 -4.268 1.00 0.00 H new ATOM 0 H61 A A 11 -0.558 11.963 -3.189 1.00 0.00 H new ATOM 0 H62 A A 11 -2.206 11.811 -2.572 1.00 0.00 H new ATOM 0 H2 A A 11 -0.419 9.771 -7.100 1.00 0.00 H new ATOM 361 P U A 12 -7.360 4.794 -9.234 1.00 0.00 P ATOM 362 OP1 U A 12 -6.631 3.988 -10.241 1.00 0.00 O ATOM 363 OP2 U A 12 -8.526 5.597 -9.665 1.00 0.00 O ATOM 364 O5' U A 12 -7.846 3.826 -8.015 1.00 0.00 O ATOM 365 C5' U A 12 -7.220 2.594 -7.677 1.00 0.00 C ATOM 366 C4' U A 12 -5.710 2.704 -7.395 1.00 0.00 C ATOM 367 O4' U A 12 -5.407 3.477 -6.245 1.00 0.00 O ATOM 368 C3' U A 12 -5.069 1.350 -7.095 1.00 0.00 C ATOM 369 O3' U A 12 -4.989 0.513 -8.245 1.00 0.00 O ATOM 370 C2' U A 12 -3.723 1.820 -6.539 1.00 0.00 C ATOM 371 O2' U A 12 -2.782 2.169 -7.543 1.00 0.00 O ATOM 372 C1' U A 12 -4.133 3.069 -5.741 1.00 0.00 C ATOM 373 N1 U A 12 -4.125 2.815 -4.260 1.00 0.00 N ATOM 374 C2 U A 12 -2.878 2.810 -3.594 1.00 0.00 C ATOM 375 O2 U A 12 -1.799 2.993 -4.159 1.00 0.00 O ATOM 376 N3 U A 12 -2.905 2.579 -2.215 1.00 0.00 N ATOM 377 C4 U A 12 -4.051 2.358 -1.447 1.00 0.00 C ATOM 378 O4 U A 12 -3.958 2.171 -0.237 1.00 0.00 O ATOM 379 C5 U A 12 -5.295 2.379 -2.209 1.00 0.00 C ATOM 380 C6 U A 12 -5.301 2.598 -3.553 1.00 0.00 C ATOM 0 H5' U A 12 -7.375 1.886 -8.492 1.00 0.00 H new ATOM 0 H5'' U A 12 -7.712 2.180 -6.797 1.00 0.00 H new ATOM 0 H4' U A 12 -5.326 3.161 -8.307 1.00 0.00 H new ATOM 0 H3' U A 12 -5.620 0.704 -6.412 1.00 0.00 H new ATOM 0 H2' U A 12 -3.221 1.040 -5.966 1.00 0.00 H new ATOM 0 HO2' U A 12 -1.947 2.461 -7.121 1.00 0.00 H new ATOM 0 H1' U A 12 -3.414 3.877 -5.874 1.00 0.00 H new ATOM 0 H3 U A 12 -2.009 2.571 -1.727 1.00 0.00 H new ATOM 0 H5 U A 12 -6.232 2.217 -1.696 1.00 0.00 H new ATOM 0 H6 U A 12 -6.243 2.603 -4.082 1.00 0.00 H new ATOM 391 P C A 13 -4.900 -1.105 -8.141 1.00 0.00 P ATOM 392 OP1 C A 13 -4.916 -1.652 -9.517 1.00 0.00 O ATOM 393 OP2 C A 13 -5.912 -1.572 -7.166 1.00 0.00 O ATOM 394 O5' C A 13 -3.438 -1.365 -7.495 1.00 0.00 O ATOM 395 C5' C A 13 -2.239 -1.165 -8.228 1.00 0.00 C ATOM 396 C4' C A 13 -1.002 -1.287 -7.327 1.00 0.00 C ATOM 397 O4' C A 13 -1.019 -0.333 -6.277 1.00 0.00 O ATOM 398 C3' C A 13 -0.866 -2.636 -6.614 1.00 0.00 C ATOM 399 O3' C A 13 -0.469 -3.694 -7.481 1.00 0.00 O ATOM 400 C2' C A 13 0.157 -2.265 -5.538 1.00 0.00 C ATOM 401 O2' C A 13 1.497 -2.254 -6.005 1.00 0.00 O ATOM 402 C1' C A 13 -0.281 -0.837 -5.164 1.00 0.00 C ATOM 403 N1 C A 13 -1.053 -0.835 -3.873 1.00 0.00 N ATOM 404 C2 C A 13 -0.343 -1.028 -2.663 1.00 0.00 C ATOM 405 O2 C A 13 0.877 -1.198 -2.646 1.00 0.00 O ATOM 406 N3 C A 13 -1.040 -1.025 -1.481 1.00 0.00 N ATOM 407 C4 C A 13 -2.376 -0.849 -1.445 1.00 0.00 C ATOM 408 N4 C A 13 -2.993 -0.856 -0.257 1.00 0.00 N ATOM 409 C5 C A 13 -3.128 -0.661 -2.667 1.00 0.00 C ATOM 410 C6 C A 13 -2.431 -0.661 -3.838 1.00 0.00 C ATOM 0 H5' C A 13 -2.256 -0.179 -8.693 1.00 0.00 H new ATOM 0 H5'' C A 13 -2.177 -1.897 -9.034 1.00 0.00 H new ATOM 0 H4' C A 13 -0.178 -1.142 -8.026 1.00 0.00 H new ATOM 0 H3' C A 13 -1.793 -3.047 -6.213 1.00 0.00 H new ATOM 0 H2' C A 13 0.166 -2.984 -4.719 1.00 0.00 H new ATOM 0 HO2' C A 13 2.027 -2.901 -5.494 1.00 0.00 H new ATOM 0 H1' C A 13 0.570 -0.183 -4.976 1.00 0.00 H new ATOM 0 H41 C A 13 -4.003 -0.725 -0.206 1.00 0.00 H new ATOM 0 H42 C A 13 -2.453 -0.993 0.597 1.00 0.00 H new ATOM 0 H5 C A 13 -4.199 -0.526 -2.652 1.00 0.00 H new ATOM 0 H6 C A 13 -2.965 -0.522 -4.766 1.00 0.00 H new ATOM 422 P U A 14 -0.763 -5.258 -7.145 1.00 0.00 P ATOM 423 OP1 U A 14 -0.275 -6.067 -8.285 1.00 0.00 O ATOM 424 OP2 U A 14 -2.175 -5.387 -6.719 1.00 0.00 O ATOM 425 O5' U A 14 0.169 -5.568 -5.854 1.00 0.00 O ATOM 426 C5' U A 14 1.583 -5.670 -5.940 1.00 0.00 C ATOM 427 C4' U A 14 2.238 -5.689 -4.550 1.00 0.00 C ATOM 428 O4' U A 14 1.888 -4.540 -3.790 1.00 0.00 O ATOM 429 C3' U A 14 1.845 -6.877 -3.663 1.00 0.00 C ATOM 430 O3' U A 14 2.466 -8.099 -4.046 1.00 0.00 O ATOM 431 C2' U A 14 2.279 -6.341 -2.295 1.00 0.00 C ATOM 432 O2' U A 14 3.674 -6.444 -2.057 1.00 0.00 O ATOM 433 C1' U A 14 1.880 -4.862 -2.401 1.00 0.00 C ATOM 434 N1 U A 14 0.557 -4.618 -1.731 1.00 0.00 N ATOM 435 C2 U A 14 0.542 -4.494 -0.323 1.00 0.00 C ATOM 436 O2 U A 14 1.549 -4.586 0.379 1.00 0.00 O ATOM 437 N3 U A 14 -0.702 -4.261 0.276 1.00 0.00 N ATOM 438 C4 U A 14 -1.922 -4.163 -0.397 1.00 0.00 C ATOM 439 O4 U A 14 -2.960 -3.963 0.228 1.00 0.00 O ATOM 440 C5 U A 14 -1.823 -4.313 -1.845 1.00 0.00 C ATOM 441 C6 U A 14 -0.626 -4.533 -2.454 1.00 0.00 C ATOM 0 H5' U A 14 1.974 -4.830 -6.515 1.00 0.00 H new ATOM 0 H5'' U A 14 1.850 -6.578 -6.480 1.00 0.00 H new ATOM 0 H4' U A 14 3.300 -5.742 -4.788 1.00 0.00 H new ATOM 0 H3' U A 14 0.794 -7.163 -3.712 1.00 0.00 H new ATOM 0 H2' U A 14 1.825 -6.899 -1.476 1.00 0.00 H new ATOM 0 HO2' U A 14 3.829 -6.972 -1.246 1.00 0.00 H new ATOM 0 H1' U A 14 2.579 -4.208 -1.879 1.00 0.00 H new ATOM 0 H3 U A 14 -0.719 -4.154 1.290 1.00 0.00 H new ATOM 0 H5 U A 14 -2.718 -4.248 -2.446 1.00 0.00 H new ATOM 0 H6 U A 14 -0.595 -4.644 -3.528 1.00 0.00 H new ATOM 452 P U A 15 1.896 -9.552 -3.588 1.00 0.00 P ATOM 453 OP1 U A 15 2.750 -10.590 -4.209 1.00 0.00 O ATOM 454 OP2 U A 15 0.436 -9.577 -3.833 1.00 0.00 O ATOM 455 O5' U A 15 2.123 -9.587 -1.982 1.00 0.00 O ATOM 456 C5' U A 15 3.408 -9.727 -1.394 1.00 0.00 C ATOM 457 C4' U A 15 3.372 -9.490 0.125 1.00 0.00 C ATOM 458 O4' U A 15 2.862 -8.203 0.460 1.00 0.00 O ATOM 459 C3' U A 15 2.495 -10.472 0.910 1.00 0.00 C ATOM 460 O3' U A 15 3.081 -11.762 1.053 1.00 0.00 O ATOM 461 C2' U A 15 2.342 -9.700 2.221 1.00 0.00 C ATOM 462 O2' U A 15 3.476 -9.781 3.072 1.00 0.00 O ATOM 463 C1' U A 15 2.178 -8.265 1.712 1.00 0.00 C ATOM 464 N1 U A 15 0.732 -7.869 1.627 1.00 0.00 N ATOM 465 C2 U A 15 0.095 -7.411 2.804 1.00 0.00 C ATOM 466 O2 U A 15 0.653 -7.342 3.901 1.00 0.00 O ATOM 467 N3 U A 15 -1.246 -7.031 2.685 1.00 0.00 N ATOM 468 C4 U A 15 -2.005 -7.081 1.513 1.00 0.00 C ATOM 469 O4 U A 15 -3.181 -6.727 1.523 1.00 0.00 O ATOM 470 C5 U A 15 -1.280 -7.576 0.349 1.00 0.00 C ATOM 471 C6 U A 15 0.027 -7.945 0.434 1.00 0.00 C ATOM 0 H5' U A 15 4.097 -9.020 -1.856 1.00 0.00 H new ATOM 0 H5'' U A 15 3.793 -10.726 -1.597 1.00 0.00 H new ATOM 0 H4' U A 15 4.419 -9.616 0.403 1.00 0.00 H new ATOM 0 H3' U A 15 1.549 -10.729 0.433 1.00 0.00 H new ATOM 0 H2' U A 15 1.525 -10.087 2.830 1.00 0.00 H new ATOM 0 HO2' U A 15 3.310 -9.265 3.888 1.00 0.00 H new ATOM 0 H1' U A 15 2.611 -7.541 2.402 1.00 0.00 H new ATOM 0 H3 U A 15 -1.710 -6.688 3.526 1.00 0.00 H new ATOM 0 H5 U A 15 -1.791 -7.651 -0.600 1.00 0.00 H new ATOM 0 H6 U A 15 0.529 -8.307 -0.451 1.00 0.00 H new ATOM 482 P C A 16 2.208 -13.082 1.428 1.00 0.00 P ATOM 483 OP1 C A 16 3.135 -14.234 1.498 1.00 0.00 O ATOM 484 OP2 C A 16 1.046 -13.143 0.512 1.00 0.00 O ATOM 485 O5' C A 16 1.640 -12.782 2.919 1.00 0.00 O ATOM 486 C5' C A 16 2.466 -12.810 4.075 1.00 0.00 C ATOM 487 C4' C A 16 1.730 -12.269 5.314 1.00 0.00 C ATOM 488 O4' C A 16 1.251 -10.945 5.115 1.00 0.00 O ATOM 489 C3' C A 16 0.494 -13.077 5.720 1.00 0.00 C ATOM 490 O3' C A 16 0.809 -14.297 6.367 1.00 0.00 O ATOM 491 C2' C A 16 -0.245 -12.060 6.597 1.00 0.00 C ATOM 492 O2' C A 16 0.244 -11.986 7.928 1.00 0.00 O ATOM 493 C1' C A 16 0.049 -10.739 5.858 1.00 0.00 C ATOM 494 N1 C A 16 -1.124 -10.338 5.005 1.00 0.00 N ATOM 495 C2 C A 16 -2.256 -9.762 5.635 1.00 0.00 C ATOM 496 O2 C A 16 -2.295 -9.567 6.851 1.00 0.00 O ATOM 497 N3 C A 16 -3.339 -9.419 4.864 1.00 0.00 N ATOM 498 C4 C A 16 -3.349 -9.621 3.529 1.00 0.00 C ATOM 499 N4 C A 16 -4.435 -9.266 2.830 1.00 0.00 N ATOM 500 C5 C A 16 -2.207 -10.209 2.862 1.00 0.00 C ATOM 501 C6 C A 16 -1.136 -10.546 3.632 1.00 0.00 C ATOM 0 H5' C A 16 3.362 -12.216 3.896 1.00 0.00 H new ATOM 0 H5'' C A 16 2.793 -13.832 4.264 1.00 0.00 H new ATOM 0 H4' C A 16 2.492 -12.329 6.092 1.00 0.00 H new ATOM 0 H3' C A 16 -0.105 -13.438 4.884 1.00 0.00 H new ATOM 0 H2' C A 16 -1.298 -12.314 6.715 1.00 0.00 H new ATOM 0 HO2' C A 16 0.757 -12.795 8.133 1.00 0.00 H new ATOM 0 HO3' C A 16 -0.019 -14.766 6.603 1.00 0.00 H new ATOM 0 H1' C A 16 0.195 -9.907 6.547 1.00 0.00 H new ATOM 0 H41 C A 16 -4.462 -9.411 1.821 1.00 0.00 H new ATOM 0 H42 C A 16 -5.235 -8.851 3.307 1.00 0.00 H new ATOM 0 H5 C A 16 -2.205 -10.374 1.795 1.00 0.00 H new ATOM 0 H6 C A 16 -0.270 -10.988 3.161 1.00 0.00 H new TER 514 C A 16