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 -17:sc= 0.00683 USER MOD Single : A 3 G O2' : rot -19:sc= 0.0103 USER MOD Single : A 4 G O2' : rot 180:sc= 0 USER MOD Single : A 5 A O2' : rot -18:sc= 0.0709 USER MOD Single : A 6 C O2' : rot -21:sc= 0.0636 USER MOD Single : A 7 A O2' : rot 21:sc= 0.0449 USER MOD Single : A 8 U O2' : rot 14:sc= 0.0567 USER MOD Single : A 9 A O2' : rot 115:sc= 0.412 USER MOD Single : A 10 G O2' : rot 115:sc= 0.141 USER MOD Single : A 11 A O2' : rot -16:sc= 0.0432 USER MOD Single : A 12 U O2' : rot -28:sc= 0.0203 USER MOD Single : A 13 C O2' : rot -24:sc= 0.0222 USER MOD Single : A 14 U O2' : rot -123:sc= 0.0077 USER MOD Single : A 15 U O2' : rot 180:sc= 0 USER MOD Single : A 16 C O2' : rot -18:sc= 0.0158 USER MOD Single : A 16 C O3' : rot 180:sc= 0.0193 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -13.185 -4.413 8.337 1.00 0.00 O ATOM 2 C5' G A 1 -11.907 -3.821 8.236 1.00 0.00 C ATOM 3 C4' G A 1 -10.899 -4.530 9.154 1.00 0.00 C ATOM 4 O4' G A 1 -10.697 -5.888 8.774 1.00 0.00 O ATOM 5 C3' G A 1 -9.510 -3.878 9.113 1.00 0.00 C ATOM 6 O3' G A 1 -9.424 -2.720 9.937 1.00 0.00 O ATOM 7 C2' G A 1 -8.629 -5.049 9.558 1.00 0.00 C ATOM 8 O2' G A 1 -8.646 -5.278 10.958 1.00 0.00 O ATOM 9 C1' G A 1 -9.310 -6.213 8.832 1.00 0.00 C ATOM 10 N9 G A 1 -8.753 -6.421 7.463 1.00 0.00 N ATOM 11 C8 G A 1 -9.283 -6.060 6.247 1.00 0.00 C ATOM 12 N7 G A 1 -8.558 -6.400 5.218 1.00 0.00 N ATOM 13 C5 G A 1 -7.460 -7.042 5.777 1.00 0.00 C ATOM 14 C6 G A 1 -6.314 -7.639 5.139 1.00 0.00 C ATOM 15 O6 G A 1 -6.071 -7.702 3.935 1.00 0.00 O ATOM 16 N1 G A 1 -5.404 -8.197 6.052 1.00 0.00 N ATOM 17 C2 G A 1 -5.586 -8.175 7.434 1.00 0.00 C ATOM 18 N2 G A 1 -4.626 -8.745 8.174 1.00 0.00 N ATOM 19 N3 G A 1 -6.665 -7.613 8.031 1.00 0.00 N ATOM 20 C4 G A 1 -7.571 -7.062 7.157 1.00 0.00 C ATOM 0 H5' G A 1 -11.969 -2.766 8.503 1.00 0.00 H new ATOM 0 H5'' G A 1 -11.561 -3.869 7.204 1.00 0.00 H new ATOM 0 H4' G A 1 -11.336 -4.455 10.150 1.00 0.00 H new ATOM 0 H3' G A 1 -9.219 -3.471 8.144 1.00 0.00 H new ATOM 0 H2' G A 1 -7.575 -4.889 9.331 1.00 0.00 H new ATOM 0 HO2' G A 1 -8.065 -6.038 11.172 1.00 0.00 H new ATOM 0 HO5' G A 1 -13.810 -3.945 7.745 1.00 0.00 H new ATOM 0 H1' G A 1 -9.139 -7.148 9.365 1.00 0.00 H new ATOM 0 H8 G A 1 -10.223 -5.537 6.152 1.00 0.00 H new ATOM 0 H1 G A 1 -4.564 -8.643 5.684 1.00 0.00 H new ATOM 0 H21 G A 1 -4.706 -8.758 9.191 1.00 0.00 H new ATOM 0 H22 G A 1 -3.815 -9.166 7.721 1.00 0.00 H new ATOM 33 P A A 2 -8.325 -1.550 9.687 1.00 0.00 P ATOM 34 OP1 A A 2 -8.535 -0.501 10.711 1.00 0.00 O ATOM 35 OP2 A A 2 -8.354 -1.179 8.253 1.00 0.00 O ATOM 36 O5' A A 2 -6.907 -2.279 9.976 1.00 0.00 O ATOM 37 C5' A A 2 -6.493 -2.652 11.281 1.00 0.00 C ATOM 38 C4' A A 2 -5.204 -3.487 11.246 1.00 0.00 C ATOM 39 O4' A A 2 -5.357 -4.695 10.508 1.00 0.00 O ATOM 40 C3' A A 2 -4.013 -2.769 10.601 1.00 0.00 C ATOM 41 O3' A A 2 -3.450 -1.782 11.457 1.00 0.00 O ATOM 42 C2' A A 2 -3.109 -3.966 10.288 1.00 0.00 C ATOM 43 O2' A A 2 -2.404 -4.456 11.418 1.00 0.00 O ATOM 44 C1' A A 2 -4.146 -4.994 9.815 1.00 0.00 C ATOM 45 N9 A A 2 -4.345 -4.938 8.335 1.00 0.00 N ATOM 46 C8 A A 2 -5.386 -4.399 7.614 1.00 0.00 C ATOM 47 N7 A A 2 -5.270 -4.513 6.321 1.00 0.00 N ATOM 48 C5 A A 2 -4.063 -5.183 6.152 1.00 0.00 C ATOM 49 C6 A A 2 -3.346 -5.630 5.003 1.00 0.00 C ATOM 50 N6 A A 2 -3.785 -5.440 3.749 1.00 0.00 N ATOM 51 N1 A A 2 -2.162 -6.274 5.182 1.00 0.00 N ATOM 52 C2 A A 2 -1.714 -6.466 6.431 1.00 0.00 C ATOM 53 N3 A A 2 -2.293 -6.100 7.585 1.00 0.00 N ATOM 54 C4 A A 2 -3.488 -5.450 7.383 1.00 0.00 C ATOM 0 H5' A A 2 -7.285 -3.223 11.766 1.00 0.00 H new ATOM 0 H5'' A A 2 -6.332 -1.757 11.882 1.00 0.00 H new ATOM 0 H4' A A 2 -5.009 -3.675 12.302 1.00 0.00 H new ATOM 0 H3' A A 2 -4.238 -2.170 9.719 1.00 0.00 H new ATOM 0 H2' A A 2 -2.319 -3.726 9.577 1.00 0.00 H new ATOM 0 HO2' A A 2 -2.409 -3.778 12.126 1.00 0.00 H new ATOM 0 H1' A A 2 -3.808 -6.007 10.032 1.00 0.00 H new ATOM 0 H8 A A 2 -6.232 -3.919 8.083 1.00 0.00 H new ATOM 0 H61 A A 2 -3.235 -5.779 2.959 1.00 0.00 H new ATOM 0 H62 A A 2 -4.668 -4.957 3.586 1.00 0.00 H new ATOM 0 H2 A A 2 -0.768 -6.980 6.520 1.00 0.00 H new ATOM 66 P G A 3 -2.648 -0.491 10.890 1.00 0.00 P ATOM 67 OP1 G A 3 -2.304 0.375 12.040 1.00 0.00 O ATOM 68 OP2 G A 3 -3.410 0.081 9.755 1.00 0.00 O ATOM 69 O5' G A 3 -1.286 -1.131 10.296 1.00 0.00 O ATOM 70 C5' G A 3 -0.278 -1.674 11.134 1.00 0.00 C ATOM 71 C4' G A 3 0.815 -2.373 10.313 1.00 0.00 C ATOM 72 O4' G A 3 0.295 -3.459 9.556 1.00 0.00 O ATOM 73 C3' G A 3 1.516 -1.468 9.293 1.00 0.00 C ATOM 74 O3' G A 3 2.447 -0.577 9.899 1.00 0.00 O ATOM 75 C2' G A 3 2.130 -2.525 8.372 1.00 0.00 C ATOM 76 O2' G A 3 3.318 -3.108 8.886 1.00 0.00 O ATOM 77 C1' G A 3 0.999 -3.563 8.322 1.00 0.00 C ATOM 78 N9 G A 3 0.089 -3.333 7.161 1.00 0.00 N ATOM 79 C8 G A 3 -1.196 -2.840 7.137 1.00 0.00 C ATOM 80 N7 G A 3 -1.728 -2.769 5.950 1.00 0.00 N ATOM 81 C5 G A 3 -0.736 -3.250 5.106 1.00 0.00 C ATOM 82 C6 G A 3 -0.736 -3.412 3.675 1.00 0.00 C ATOM 83 O6 G A 3 -1.641 -3.153 2.887 1.00 0.00 O ATOM 84 N1 G A 3 0.474 -3.927 3.180 1.00 0.00 N ATOM 85 C2 G A 3 1.564 -4.248 3.987 1.00 0.00 C ATOM 86 N2 G A 3 2.652 -4.728 3.369 1.00 0.00 N ATOM 87 N3 G A 3 1.557 -4.103 5.334 1.00 0.00 N ATOM 88 C4 G A 3 0.384 -3.600 5.841 1.00 0.00 C ATOM 0 H5' G A 3 -0.724 -2.385 11.829 1.00 0.00 H new ATOM 0 H5'' G A 3 0.167 -0.879 11.733 1.00 0.00 H new ATOM 0 H4' G A 3 1.526 -2.696 11.073 1.00 0.00 H new ATOM 0 H3' G A 3 0.873 -0.763 8.767 1.00 0.00 H new ATOM 0 H2' G A 3 2.440 -2.116 7.410 1.00 0.00 H new ATOM 0 HO2' G A 3 3.696 -2.525 9.578 1.00 0.00 H new ATOM 0 H1' G A 3 1.407 -4.565 8.188 1.00 0.00 H new ATOM 0 H8 G A 3 -1.721 -2.536 8.031 1.00 0.00 H new ATOM 0 H1 G A 3 0.559 -4.074 2.174 1.00 0.00 H new ATOM 0 H21 G A 3 3.478 -4.979 3.912 1.00 0.00 H new ATOM 0 H22 G A 3 2.654 -4.842 2.355 1.00 0.00 H new ATOM 100 P G A 4 2.833 0.859 9.246 1.00 0.00 P ATOM 101 OP1 G A 4 3.774 1.539 10.167 1.00 0.00 O ATOM 102 OP2 G A 4 1.584 1.547 8.849 1.00 0.00 O ATOM 103 O5' G A 4 3.630 0.466 7.891 1.00 0.00 O ATOM 104 C5' G A 4 4.930 -0.104 7.912 1.00 0.00 C ATOM 105 C4' G A 4 5.345 -0.608 6.522 1.00 0.00 C ATOM 106 O4' G A 4 4.437 -1.591 6.037 1.00 0.00 O ATOM 107 C3' G A 4 5.397 0.474 5.436 1.00 0.00 C ATOM 108 O3' G A 4 6.568 1.281 5.504 1.00 0.00 O ATOM 109 C2' G A 4 5.300 -0.396 4.180 1.00 0.00 C ATOM 110 O2' G A 4 6.518 -1.030 3.824 1.00 0.00 O ATOM 111 C1' G A 4 4.278 -1.447 4.630 1.00 0.00 C ATOM 112 N9 G A 4 2.886 -1.054 4.267 1.00 0.00 N ATOM 113 C8 G A 4 1.841 -0.658 5.070 1.00 0.00 C ATOM 114 N7 G A 4 0.736 -0.397 4.430 1.00 0.00 N ATOM 115 C5 G A 4 1.052 -0.637 3.098 1.00 0.00 C ATOM 116 C6 G A 4 0.236 -0.526 1.915 1.00 0.00 C ATOM 117 O6 G A 4 -0.943 -0.188 1.839 1.00 0.00 O ATOM 118 N1 G A 4 0.932 -0.854 0.740 1.00 0.00 N ATOM 119 C2 G A 4 2.268 -1.246 0.714 1.00 0.00 C ATOM 120 N2 G A 4 2.791 -1.513 -0.489 1.00 0.00 N ATOM 121 N3 G A 4 3.027 -1.360 1.827 1.00 0.00 N ATOM 122 C4 G A 4 2.370 -1.042 2.990 1.00 0.00 C ATOM 0 H5' G A 4 4.955 -0.930 8.622 1.00 0.00 H new ATOM 0 H5'' G A 4 5.648 0.638 8.261 1.00 0.00 H new ATOM 0 H4' G A 4 6.348 -1.001 6.687 1.00 0.00 H new ATOM 0 H3' G A 4 4.618 1.233 5.505 1.00 0.00 H new ATOM 0 H2' G A 4 5.038 0.183 3.294 1.00 0.00 H new ATOM 0 HO2' G A 4 6.383 -1.569 3.017 1.00 0.00 H new ATOM 0 H1' G A 4 4.452 -2.397 4.124 1.00 0.00 H new ATOM 0 H8 G A 4 1.929 -0.571 6.143 1.00 0.00 H new ATOM 0 H1 G A 4 0.430 -0.802 -0.146 1.00 0.00 H new ATOM 0 H21 G A 4 3.765 -1.805 -0.568 1.00 0.00 H new ATOM 0 H22 G A 4 2.215 -1.425 -1.326 1.00 0.00 H new ATOM 134 P A A 5 6.626 2.788 4.897 1.00 0.00 P ATOM 135 OP1 A A 5 7.974 3.338 5.169 1.00 0.00 O ATOM 136 OP2 A A 5 5.434 3.524 5.377 1.00 0.00 O ATOM 137 O5' A A 5 6.466 2.589 3.296 1.00 0.00 O ATOM 138 C5' A A 5 7.469 1.983 2.491 1.00 0.00 C ATOM 139 C4' A A 5 6.954 1.728 1.064 1.00 0.00 C ATOM 140 O4' A A 5 5.756 0.968 1.081 1.00 0.00 O ATOM 141 C3' A A 5 6.645 3.016 0.292 1.00 0.00 C ATOM 142 O3' A A 5 7.828 3.538 -0.310 1.00 0.00 O ATOM 143 C2' A A 5 5.583 2.536 -0.702 1.00 0.00 C ATOM 144 O2' A A 5 6.125 2.024 -1.908 1.00 0.00 O ATOM 145 C1' A A 5 4.869 1.414 0.065 1.00 0.00 C ATOM 146 N9 A A 5 3.566 1.852 0.645 1.00 0.00 N ATOM 147 C8 A A 5 3.218 2.035 1.965 1.00 0.00 C ATOM 148 N7 A A 5 1.976 2.380 2.157 1.00 0.00 N ATOM 149 C5 A A 5 1.441 2.432 0.875 1.00 0.00 C ATOM 150 C6 A A 5 0.141 2.736 0.370 1.00 0.00 C ATOM 151 N6 A A 5 -0.887 3.071 1.160 1.00 0.00 N ATOM 152 N1 A A 5 -0.066 2.701 -0.974 1.00 0.00 N ATOM 153 C2 A A 5 0.962 2.377 -1.773 1.00 0.00 C ATOM 154 N3 A A 5 2.219 2.064 -1.422 1.00 0.00 N ATOM 155 C4 A A 5 2.408 2.110 -0.060 1.00 0.00 C ATOM 0 H5' A A 5 7.782 1.041 2.942 1.00 0.00 H new ATOM 0 H5'' A A 5 8.348 2.626 2.454 1.00 0.00 H new ATOM 0 H4' A A 5 7.763 1.193 0.568 1.00 0.00 H new ATOM 0 H3' A A 5 6.287 3.851 0.894 1.00 0.00 H new ATOM 0 H2' A A 5 4.939 3.357 -1.016 1.00 0.00 H new ATOM 0 HO2' A A 5 7.052 2.328 -2.005 1.00 0.00 H new ATOM 0 H1' A A 5 4.623 0.605 -0.623 1.00 0.00 H new ATOM 0 H8 A A 5 3.919 1.903 2.776 1.00 0.00 H new ATOM 0 H61 A A 5 -1.798 3.280 0.751 1.00 0.00 H new ATOM 0 H62 A A 5 -0.759 3.118 2.171 1.00 0.00 H new ATOM 0 H2 A A 5 0.751 2.367 -2.832 1.00 0.00 H new ATOM 167 P C A 6 8.151 5.123 -0.400 1.00 0.00 P ATOM 168 OP1 C A 6 9.414 5.288 -1.156 1.00 0.00 O ATOM 169 OP2 C A 6 8.048 5.684 0.965 1.00 0.00 O ATOM 170 O5' C A 6 6.932 5.716 -1.292 1.00 0.00 O ATOM 171 C5' C A 6 6.844 5.503 -2.698 1.00 0.00 C ATOM 172 C4' C A 6 5.446 5.842 -3.238 1.00 0.00 C ATOM 173 O4' C A 6 4.471 5.051 -2.586 1.00 0.00 O ATOM 174 C3' C A 6 5.004 7.290 -3.010 1.00 0.00 C ATOM 175 O3' C A 6 5.563 8.188 -3.965 1.00 0.00 O ATOM 176 C2' C A 6 3.477 7.164 -3.068 1.00 0.00 C ATOM 177 O2' C A 6 2.949 7.301 -4.376 1.00 0.00 O ATOM 178 C1' C A 6 3.226 5.734 -2.553 1.00 0.00 C ATOM 179 N1 C A 6 2.600 5.736 -1.187 1.00 0.00 N ATOM 180 C2 C A 6 1.196 5.879 -1.093 1.00 0.00 C ATOM 181 O2 C A 6 0.489 5.993 -2.095 1.00 0.00 O ATOM 182 N3 C A 6 0.611 5.888 0.149 1.00 0.00 N ATOM 183 C4 C A 6 1.347 5.765 1.275 1.00 0.00 C ATOM 184 N4 C A 6 0.722 5.775 2.461 1.00 0.00 N ATOM 185 C5 C A 6 2.784 5.624 1.207 1.00 0.00 C ATOM 186 C6 C A 6 3.358 5.612 -0.028 1.00 0.00 C ATOM 0 H5' C A 6 7.079 4.463 -2.924 1.00 0.00 H new ATOM 0 H5'' C A 6 7.589 6.116 -3.206 1.00 0.00 H new ATOM 0 H4' C A 6 5.522 5.657 -4.309 1.00 0.00 H new ATOM 0 H3' C A 6 5.349 7.725 -2.072 1.00 0.00 H new ATOM 0 H2' C A 6 2.993 7.951 -2.489 1.00 0.00 H new ATOM 0 HO2' C A 6 3.591 7.781 -4.940 1.00 0.00 H new ATOM 0 H1' C A 6 2.508 5.217 -3.189 1.00 0.00 H new ATOM 0 H41 C A 6 1.261 5.683 3.322 1.00 0.00 H new ATOM 0 H42 C A 6 -0.292 5.874 2.502 1.00 0.00 H new ATOM 0 H5 C A 6 3.381 5.532 2.103 1.00 0.00 H new ATOM 0 H6 C A 6 4.429 5.503 -0.109 1.00 0.00 H new ATOM 198 P A A 7 6.375 9.528 -3.536 1.00 0.00 P ATOM 199 OP1 A A 7 6.523 10.376 -4.740 1.00 0.00 O ATOM 200 OP2 A A 7 7.582 9.111 -2.787 1.00 0.00 O ATOM 201 O5' A A 7 5.390 10.286 -2.497 1.00 0.00 O ATOM 202 C5' A A 7 4.086 10.720 -2.857 1.00 0.00 C ATOM 203 C4' A A 7 3.235 11.033 -1.614 1.00 0.00 C ATOM 204 O4' A A 7 3.277 9.938 -0.708 1.00 0.00 O ATOM 205 C3' A A 7 3.700 12.279 -0.838 1.00 0.00 C ATOM 206 O3' A A 7 2.557 13.011 -0.411 1.00 0.00 O ATOM 207 C2' A A 7 4.468 11.664 0.336 1.00 0.00 C ATOM 208 O2' A A 7 4.551 12.490 1.482 1.00 0.00 O ATOM 209 C1' A A 7 3.665 10.392 0.579 1.00 0.00 C ATOM 210 N9 A A 7 4.458 9.349 1.281 1.00 0.00 N ATOM 211 C8 A A 7 5.432 8.531 0.759 1.00 0.00 C ATOM 212 N7 A A 7 5.951 7.695 1.610 1.00 0.00 N ATOM 213 C5 A A 7 5.283 7.965 2.797 1.00 0.00 C ATOM 214 C6 A A 7 5.369 7.417 4.111 1.00 0.00 C ATOM 215 N6 A A 7 6.220 6.432 4.438 1.00 0.00 N ATOM 216 N1 A A 7 4.555 7.912 5.081 1.00 0.00 N ATOM 217 C2 A A 7 3.706 8.902 4.765 1.00 0.00 C ATOM 218 N3 A A 7 3.539 9.502 3.576 1.00 0.00 N ATOM 219 C4 A A 7 4.366 8.983 2.609 1.00 0.00 C ATOM 0 H5' A A 7 3.595 9.949 -3.451 1.00 0.00 H new ATOM 0 H5'' A A 7 4.157 11.609 -3.484 1.00 0.00 H new ATOM 0 H4' A A 7 2.230 11.220 -1.993 1.00 0.00 H new ATOM 0 H3' A A 7 4.310 12.982 -1.406 1.00 0.00 H new ATOM 0 H2' A A 7 5.523 11.500 0.115 1.00 0.00 H new ATOM 0 HO2' A A 7 3.840 13.164 1.452 1.00 0.00 H new ATOM 0 H1' A A 7 2.810 10.595 1.224 1.00 0.00 H new ATOM 0 H8 A A 7 5.741 8.579 -0.275 1.00 0.00 H new ATOM 0 H61 A A 7 6.243 6.074 5.393 1.00 0.00 H new ATOM 0 H62 A A 7 6.844 6.041 3.732 1.00 0.00 H new ATOM 0 H2 A A 7 3.079 9.261 5.568 1.00 0.00 H new ATOM 231 P U A 8 1.933 14.238 -1.264 1.00 0.00 P ATOM 232 OP1 U A 8 2.098 13.972 -2.714 1.00 0.00 O ATOM 233 OP2 U A 8 2.451 15.496 -0.685 1.00 0.00 O ATOM 234 O5' U A 8 0.369 14.124 -0.878 1.00 0.00 O ATOM 235 C5' U A 8 -0.540 13.265 -1.553 1.00 0.00 C ATOM 236 C4' U A 8 -1.930 13.244 -0.886 1.00 0.00 C ATOM 237 O4' U A 8 -1.890 12.366 0.224 1.00 0.00 O ATOM 238 C3' U A 8 -2.424 14.620 -0.373 1.00 0.00 C ATOM 239 O3' U A 8 -3.832 14.811 -0.501 1.00 0.00 O ATOM 240 C2' U A 8 -1.993 14.548 1.101 1.00 0.00 C ATOM 241 O2' U A 8 -2.721 15.389 1.977 1.00 0.00 O ATOM 242 C1' U A 8 -2.184 13.063 1.419 1.00 0.00 C ATOM 243 N1 U A 8 -1.313 12.574 2.535 1.00 0.00 N ATOM 244 C2 U A 8 -1.902 12.273 3.784 1.00 0.00 C ATOM 245 O2 U A 8 -3.104 12.403 4.021 1.00 0.00 O ATOM 246 N3 U A 8 -1.041 11.798 4.783 1.00 0.00 N ATOM 247 C4 U A 8 0.337 11.600 4.642 1.00 0.00 C ATOM 248 O4 U A 8 1.004 11.179 5.585 1.00 0.00 O ATOM 249 C5 U A 8 0.862 11.933 3.323 1.00 0.00 C ATOM 250 C6 U A 8 0.050 12.394 2.334 1.00 0.00 C ATOM 0 H5' U A 8 -0.134 12.254 -1.573 1.00 0.00 H new ATOM 0 H5'' U A 8 -0.641 13.589 -2.589 1.00 0.00 H new ATOM 0 H4' U A 8 -2.625 12.924 -1.662 1.00 0.00 H new ATOM 0 H3' U A 8 -2.018 15.460 -0.937 1.00 0.00 H new ATOM 0 H2' U A 8 -0.976 14.912 1.247 1.00 0.00 H new ATOM 0 HO2' U A 8 -3.529 15.710 1.525 1.00 0.00 H new ATOM 0 H1' U A 8 -3.205 12.895 1.762 1.00 0.00 H new ATOM 0 H3 U A 8 -1.454 11.578 5.689 1.00 0.00 H new ATOM 0 H5 U A 8 1.917 11.811 3.127 1.00 0.00 H new ATOM 0 H6 U A 8 0.475 12.626 1.369 1.00 0.00 H new ATOM 261 P A A 9 -4.638 14.780 -1.916 1.00 0.00 P ATOM 262 OP1 A A 9 -3.689 14.993 -3.034 1.00 0.00 O ATOM 263 OP2 A A 9 -5.825 15.655 -1.789 1.00 0.00 O ATOM 264 O5' A A 9 -5.133 13.240 -1.960 1.00 0.00 O ATOM 265 C5' A A 9 -5.943 12.694 -0.933 1.00 0.00 C ATOM 266 C4' A A 9 -5.880 11.167 -0.941 1.00 0.00 C ATOM 267 O4' A A 9 -4.581 10.806 -0.526 1.00 0.00 O ATOM 268 C3' A A 9 -6.856 10.512 0.058 1.00 0.00 C ATOM 269 O3' A A 9 -7.788 9.692 -0.639 1.00 0.00 O ATOM 270 C2' A A 9 -5.934 9.731 1.006 1.00 0.00 C ATOM 271 O2' A A 9 -6.441 8.490 1.455 1.00 0.00 O ATOM 272 C1' A A 9 -4.656 9.594 0.189 1.00 0.00 C ATOM 273 N9 A A 9 -3.399 9.419 0.947 1.00 0.00 N ATOM 274 C8 A A 9 -3.127 9.316 2.291 1.00 0.00 C ATOM 275 N7 A A 9 -1.861 9.160 2.575 1.00 0.00 N ATOM 276 C5 A A 9 -1.241 9.162 1.330 1.00 0.00 C ATOM 277 C6 A A 9 0.106 9.047 0.888 1.00 0.00 C ATOM 278 N6 A A 9 1.123 8.886 1.740 1.00 0.00 N ATOM 279 N1 A A 9 0.369 9.094 -0.450 1.00 0.00 N ATOM 280 C2 A A 9 -0.665 9.248 -1.292 1.00 0.00 C ATOM 281 N3 A A 9 -1.956 9.367 -1.004 1.00 0.00 N ATOM 282 C4 A A 9 -2.184 9.315 0.341 1.00 0.00 C ATOM 0 H5' A A 9 -6.975 13.020 -1.066 1.00 0.00 H new ATOM 0 H5'' A A 9 -5.612 13.070 0.035 1.00 0.00 H new ATOM 0 H4' A A 9 -6.142 10.830 -1.944 1.00 0.00 H new ATOM 0 H3' A A 9 -7.474 11.217 0.614 1.00 0.00 H new ATOM 0 H2' A A 9 -5.798 10.252 1.954 1.00 0.00 H new ATOM 0 HO2' A A 9 -5.886 7.763 1.102 1.00 0.00 H new ATOM 0 H1' A A 9 -4.727 8.683 -0.405 1.00 0.00 H new ATOM 0 H8 A A 9 -3.895 9.360 3.049 1.00 0.00 H new ATOM 0 H61 A A 9 2.077 8.807 1.387 1.00 0.00 H new ATOM 0 H62 A A 9 0.946 8.842 2.743 1.00 0.00 H new ATOM 0 H2 A A 9 -0.414 9.279 -2.342 1.00 0.00 H new ATOM 294 P G A 10 -9.197 10.274 -1.193 1.00 0.00 P ATOM 295 OP1 G A 10 -8.908 11.371 -2.145 1.00 0.00 O ATOM 296 OP2 G A 10 -10.082 10.528 -0.032 1.00 0.00 O ATOM 297 O5' G A 10 -9.810 9.045 -2.045 1.00 0.00 O ATOM 298 C5' G A 10 -10.107 7.776 -1.480 1.00 0.00 C ATOM 299 C4' G A 10 -9.239 6.699 -2.146 1.00 0.00 C ATOM 300 O4' G A 10 -7.913 6.777 -1.639 1.00 0.00 O ATOM 301 C3' G A 10 -9.763 5.274 -1.866 1.00 0.00 C ATOM 302 O3' G A 10 -9.834 4.507 -3.066 1.00 0.00 O ATOM 303 C2' G A 10 -8.723 4.737 -0.881 1.00 0.00 C ATOM 304 O2' G A 10 -8.578 3.330 -0.881 1.00 0.00 O ATOM 305 C1' G A 10 -7.461 5.473 -1.332 1.00 0.00 C ATOM 306 N9 G A 10 -6.373 5.523 -0.316 1.00 0.00 N ATOM 307 C8 G A 10 -6.449 5.366 1.048 1.00 0.00 C ATOM 308 N7 G A 10 -5.307 5.463 1.669 1.00 0.00 N ATOM 309 C5 G A 10 -4.390 5.704 0.653 1.00 0.00 C ATOM 310 C6 G A 10 -2.964 5.899 0.721 1.00 0.00 C ATOM 311 O6 G A 10 -2.251 5.900 1.722 1.00 0.00 O ATOM 312 N1 G A 10 -2.377 6.111 -0.538 1.00 0.00 N ATOM 313 C2 G A 10 -3.103 6.143 -1.730 1.00 0.00 C ATOM 314 N2 G A 10 -2.416 6.358 -2.860 1.00 0.00 N ATOM 315 N3 G A 10 -4.443 5.960 -1.786 1.00 0.00 N ATOM 316 C4 G A 10 -5.037 5.745 -0.568 1.00 0.00 C ATOM 0 H5' G A 10 -11.163 7.543 -1.619 1.00 0.00 H new ATOM 0 H5'' G A 10 -9.923 7.793 -0.406 1.00 0.00 H new ATOM 0 H4' G A 10 -9.270 6.883 -3.220 1.00 0.00 H new ATOM 0 H3' G A 10 -10.778 5.238 -1.469 1.00 0.00 H new ATOM 0 H2' G A 10 -8.998 4.917 0.158 1.00 0.00 H new ATOM 0 HO2' G A 10 -7.680 3.094 -1.193 1.00 0.00 H new ATOM 0 H1' G A 10 -7.003 4.949 -2.171 1.00 0.00 H new ATOM 0 H8 G A 10 -7.379 5.178 1.563 1.00 0.00 H new ATOM 0 H1 G A 10 -1.367 6.249 -0.583 1.00 0.00 H new ATOM 0 H21 G A 10 -2.904 6.390 -3.755 1.00 0.00 H new ATOM 0 H22 G A 10 -1.405 6.490 -2.825 1.00 0.00 H new ATOM 328 P A A 11 -11.013 4.681 -4.172 1.00 0.00 P ATOM 329 OP1 A A 11 -11.979 5.715 -3.732 1.00 0.00 O ATOM 330 OP2 A A 11 -11.496 3.329 -4.535 1.00 0.00 O ATOM 331 O5' A A 11 -10.167 5.272 -5.412 1.00 0.00 O ATOM 332 C5' A A 11 -10.747 5.515 -6.684 1.00 0.00 C ATOM 333 C4' A A 11 -9.655 5.737 -7.745 1.00 0.00 C ATOM 334 O4' A A 11 -8.990 6.964 -7.492 1.00 0.00 O ATOM 335 C3' A A 11 -8.556 4.659 -7.777 1.00 0.00 C ATOM 336 O3' A A 11 -8.878 3.495 -8.534 1.00 0.00 O ATOM 337 C2' A A 11 -7.355 5.437 -8.322 1.00 0.00 C ATOM 338 O2' A A 11 -7.324 5.490 -9.739 1.00 0.00 O ATOM 339 C1' A A 11 -7.598 6.842 -7.751 1.00 0.00 C ATOM 340 N9 A A 11 -6.866 7.097 -6.477 1.00 0.00 N ATOM 341 C8 A A 11 -6.889 6.383 -5.302 1.00 0.00 C ATOM 342 N7 A A 11 -6.157 6.884 -4.348 1.00 0.00 N ATOM 343 C5 A A 11 -5.602 8.026 -4.915 1.00 0.00 C ATOM 344 C6 A A 11 -4.717 9.034 -4.429 1.00 0.00 C ATOM 345 N6 A A 11 -4.216 9.032 -3.188 1.00 0.00 N ATOM 346 N1 A A 11 -4.358 10.050 -5.258 1.00 0.00 N ATOM 347 C2 A A 11 -4.852 10.067 -6.505 1.00 0.00 C ATOM 348 N3 A A 11 -5.687 9.186 -7.078 1.00 0.00 N ATOM 349 C4 A A 11 -6.034 8.166 -6.223 1.00 0.00 C ATOM 0 H5' A A 11 -11.395 6.390 -6.633 1.00 0.00 H new ATOM 0 H5'' A A 11 -11.374 4.671 -6.971 1.00 0.00 H new ATOM 0 H4' A A 11 -10.186 5.714 -8.697 1.00 0.00 H new ATOM 0 H3' A A 11 -8.380 4.216 -6.797 1.00 0.00 H new ATOM 0 H2' A A 11 -6.406 4.979 -8.042 1.00 0.00 H new ATOM 0 HO2' A A 11 -7.922 4.806 -10.105 1.00 0.00 H new ATOM 0 H1' A A 11 -7.235 7.565 -8.481 1.00 0.00 H new ATOM 0 H8 A A 11 -7.468 5.479 -5.180 1.00 0.00 H new ATOM 0 H61 A A 11 -3.587 9.778 -2.891 1.00 0.00 H new ATOM 0 H62 A A 11 -4.464 8.285 -2.539 1.00 0.00 H new ATOM 0 H2 A A 11 -4.539 10.893 -7.126 1.00 0.00 H new ATOM 361 P U A 12 -9.645 2.197 -7.919 1.00 0.00 P ATOM 362 OP1 U A 12 -9.111 1.001 -8.612 1.00 0.00 O ATOM 363 OP2 U A 12 -11.100 2.462 -7.975 1.00 0.00 O ATOM 364 O5' U A 12 -9.216 2.124 -6.344 1.00 0.00 O ATOM 365 C5' U A 12 -8.070 1.425 -5.875 1.00 0.00 C ATOM 366 C4' U A 12 -6.736 2.041 -6.340 1.00 0.00 C ATOM 367 O4' U A 12 -6.340 3.156 -5.552 1.00 0.00 O ATOM 368 C3' U A 12 -5.586 1.039 -6.257 1.00 0.00 C ATOM 369 O3' U A 12 -5.614 0.158 -7.375 1.00 0.00 O ATOM 370 C2' U A 12 -4.385 1.987 -6.205 1.00 0.00 C ATOM 371 O2' U A 12 -4.021 2.507 -7.475 1.00 0.00 O ATOM 372 C1' U A 12 -4.932 3.106 -5.302 1.00 0.00 C ATOM 373 N1 U A 12 -4.598 2.898 -3.845 1.00 0.00 N ATOM 374 C2 U A 12 -3.253 3.064 -3.431 1.00 0.00 C ATOM 375 O2 U A 12 -2.332 3.348 -4.198 1.00 0.00 O ATOM 376 N3 U A 12 -2.984 2.883 -2.067 1.00 0.00 N ATOM 377 C4 U A 12 -3.931 2.567 -1.089 1.00 0.00 C ATOM 378 O4 U A 12 -3.596 2.437 0.085 1.00 0.00 O ATOM 379 C5 U A 12 -5.290 2.418 -1.594 1.00 0.00 C ATOM 380 C6 U A 12 -5.580 2.584 -2.913 1.00 0.00 C ATOM 0 H5' U A 12 -8.121 0.391 -6.216 1.00 0.00 H new ATOM 0 H5'' U A 12 -8.090 1.403 -4.785 1.00 0.00 H new ATOM 0 H4' U A 12 -6.923 2.348 -7.369 1.00 0.00 H new ATOM 0 H3' U A 12 -5.599 0.351 -5.412 1.00 0.00 H new ATOM 0 H2' U A 12 -3.476 1.499 -5.854 1.00 0.00 H new ATOM 0 HO2' U A 12 -4.272 1.868 -8.174 1.00 0.00 H new ATOM 0 H1' U A 12 -4.463 4.062 -5.537 1.00 0.00 H new ATOM 0 H3 U A 12 -2.016 2.991 -1.763 1.00 0.00 H new ATOM 0 H5 U A 12 -6.085 2.170 -0.906 1.00 0.00 H new ATOM 0 H6 U A 12 -6.601 2.469 -3.245 1.00 0.00 H new ATOM 391 P C A 13 -5.251 -1.416 -7.262 1.00 0.00 P ATOM 392 OP1 C A 13 -5.436 -2.027 -8.598 1.00 0.00 O ATOM 393 OP2 C A 13 -5.965 -1.986 -6.096 1.00 0.00 O ATOM 394 O5' C A 13 -3.674 -1.393 -6.915 1.00 0.00 O ATOM 395 C5' C A 13 -2.693 -0.967 -7.849 1.00 0.00 C ATOM 396 C4' C A 13 -1.313 -0.870 -7.184 1.00 0.00 C ATOM 397 O4' C A 13 -1.292 0.136 -6.181 1.00 0.00 O ATOM 398 C3' C A 13 -0.868 -2.163 -6.490 1.00 0.00 C ATOM 399 O3' C A 13 -0.376 -3.124 -7.420 1.00 0.00 O ATOM 400 C2' C A 13 0.165 -1.616 -5.505 1.00 0.00 C ATOM 401 O2' C A 13 1.438 -1.388 -6.087 1.00 0.00 O ATOM 402 C1' C A 13 -0.479 -0.281 -5.086 1.00 0.00 C ATOM 403 N1 C A 13 -1.247 -0.400 -3.794 1.00 0.00 N ATOM 404 C2 C A 13 -0.520 -0.566 -2.590 1.00 0.00 C ATOM 405 O2 C A 13 0.710 -0.638 -2.574 1.00 0.00 O ATOM 406 N3 C A 13 -1.213 -0.654 -1.408 1.00 0.00 N ATOM 407 C4 C A 13 -2.558 -0.593 -1.365 1.00 0.00 C ATOM 408 N4 C A 13 -3.166 -0.689 -0.175 1.00 0.00 N ATOM 409 C5 C A 13 -3.326 -0.426 -2.579 1.00 0.00 C ATOM 410 C6 C A 13 -2.636 -0.332 -3.750 1.00 0.00 C ATOM 0 H5' C A 13 -2.973 0.003 -8.260 1.00 0.00 H new ATOM 0 H5'' C A 13 -2.651 -1.667 -8.684 1.00 0.00 H new ATOM 0 H4' C A 13 -0.637 -0.644 -8.009 1.00 0.00 H new ATOM 0 H3' C A 13 -1.655 -2.730 -5.994 1.00 0.00 H new ATOM 0 H2' C A 13 0.369 -2.312 -4.691 1.00 0.00 H new ATOM 0 HO2' C A 13 1.544 -1.958 -6.877 1.00 0.00 H new ATOM 0 H1' C A 13 0.282 0.471 -4.876 1.00 0.00 H new ATOM 0 H41 C A 13 -4.183 -0.646 -0.117 1.00 0.00 H new ATOM 0 H42 C A 13 -2.611 -0.806 0.673 1.00 0.00 H new ATOM 0 H5 C A 13 -4.405 -0.378 -2.558 1.00 0.00 H new ATOM 0 H6 C A 13 -3.184 -0.201 -4.672 1.00 0.00 H new ATOM 422 P U A 14 -0.529 -4.724 -7.193 1.00 0.00 P ATOM 423 OP1 U A 14 0.030 -5.408 -8.381 1.00 0.00 O ATOM 424 OP2 U A 14 -1.924 -5.009 -6.783 1.00 0.00 O ATOM 425 O5' U A 14 0.429 -5.023 -5.923 1.00 0.00 O ATOM 426 C5' U A 14 1.845 -4.959 -6.004 1.00 0.00 C ATOM 427 C4' U A 14 2.489 -5.012 -4.610 1.00 0.00 C ATOM 428 O4' U A 14 2.059 -3.921 -3.806 1.00 0.00 O ATOM 429 C3' U A 14 2.156 -6.265 -3.790 1.00 0.00 C ATOM 430 O3' U A 14 2.878 -7.419 -4.209 1.00 0.00 O ATOM 431 C2' U A 14 2.504 -5.770 -2.383 1.00 0.00 C ATOM 432 O2' U A 14 3.895 -5.794 -2.097 1.00 0.00 O ATOM 433 C1' U A 14 2.011 -4.317 -2.437 1.00 0.00 C ATOM 434 N1 U A 14 0.645 -4.186 -1.820 1.00 0.00 N ATOM 435 C2 U A 14 0.554 -4.171 -0.409 1.00 0.00 C ATOM 436 O2 U A 14 1.528 -4.278 0.335 1.00 0.00 O ATOM 437 N3 U A 14 -0.727 -4.037 0.139 1.00 0.00 N ATOM 438 C4 U A 14 -1.915 -3.934 -0.588 1.00 0.00 C ATOM 439 O4 U A 14 -2.992 -3.828 -0.006 1.00 0.00 O ATOM 440 C5 U A 14 -1.739 -3.966 -2.036 1.00 0.00 C ATOM 441 C6 U A 14 -0.504 -4.089 -2.596 1.00 0.00 C ATOM 0 H5' U A 14 2.141 -4.039 -6.508 1.00 0.00 H new ATOM 0 H5'' U A 14 2.214 -5.787 -6.609 1.00 0.00 H new ATOM 0 H4' U A 14 3.557 -4.995 -4.829 1.00 0.00 H new ATOM 0 H3' U A 14 1.130 -6.621 -3.887 1.00 0.00 H new ATOM 0 H2' U A 14 2.060 -6.395 -1.608 1.00 0.00 H new ATOM 0 HO2' U A 14 4.056 -6.341 -1.300 1.00 0.00 H new ATOM 0 H1' U A 14 2.643 -3.652 -1.849 1.00 0.00 H new ATOM 0 H3 U A 14 -0.799 -4.012 1.156 1.00 0.00 H new ATOM 0 H5 U A 14 -2.605 -3.891 -2.676 1.00 0.00 H new ATOM 0 H6 U A 14 -0.415 -4.112 -3.672 1.00 0.00 H new ATOM 452 P U A 15 2.389 -8.932 -3.863 1.00 0.00 P ATOM 453 OP1 U A 15 3.346 -9.871 -4.488 1.00 0.00 O ATOM 454 OP2 U A 15 0.949 -9.041 -4.193 1.00 0.00 O ATOM 455 O5' U A 15 2.530 -9.044 -2.251 1.00 0.00 O ATOM 456 C5' U A 15 3.788 -9.137 -1.597 1.00 0.00 C ATOM 457 C4' U A 15 3.656 -8.976 -0.074 1.00 0.00 C ATOM 458 O4' U A 15 3.048 -7.739 0.284 1.00 0.00 O ATOM 459 C3' U A 15 2.806 -10.046 0.621 1.00 0.00 C ATOM 460 O3' U A 15 3.468 -11.301 0.750 1.00 0.00 O ATOM 461 C2' U A 15 2.533 -9.340 1.951 1.00 0.00 C ATOM 462 O2' U A 15 3.624 -9.382 2.859 1.00 0.00 O ATOM 463 C1' U A 15 2.300 -7.900 1.491 1.00 0.00 C ATOM 464 N1 U A 15 0.837 -7.596 1.338 1.00 0.00 N ATOM 465 C2 U A 15 0.106 -7.239 2.493 1.00 0.00 C ATOM 466 O2 U A 15 0.594 -7.187 3.624 1.00 0.00 O ATOM 467 N3 U A 15 -1.248 -6.941 2.313 1.00 0.00 N ATOM 468 C4 U A 15 -1.936 -6.984 1.099 1.00 0.00 C ATOM 469 O4 U A 15 -3.132 -6.707 1.055 1.00 0.00 O ATOM 470 C5 U A 15 -1.116 -7.374 -0.042 1.00 0.00 C ATOM 471 C6 U A 15 0.206 -7.661 0.102 1.00 0.00 C ATOM 0 H5' U A 15 4.457 -8.370 -1.986 1.00 0.00 H new ATOM 0 H5'' U A 15 4.244 -10.101 -1.822 1.00 0.00 H new ATOM 0 H4' U A 15 4.692 -9.052 0.257 1.00 0.00 H new ATOM 0 H3' U A 15 1.908 -10.343 0.080 1.00 0.00 H new ATOM 0 H2' U A 15 1.713 -9.805 2.498 1.00 0.00 H new ATOM 0 HO2' U A 15 3.381 -8.912 3.684 1.00 0.00 H new ATOM 0 H1' U A 15 2.643 -7.180 2.234 1.00 0.00 H new ATOM 0 H3 U A 15 -1.779 -6.669 3.140 1.00 0.00 H new ATOM 0 H5 U A 15 -1.567 -7.436 -1.021 1.00 0.00 H new ATOM 0 H6 U A 15 0.780 -7.947 -0.767 1.00 0.00 H new ATOM 482 P C A 16 2.668 -12.686 1.048 1.00 0.00 P ATOM 483 OP1 C A 16 3.666 -13.775 1.132 1.00 0.00 O ATOM 484 OP2 C A 16 1.558 -12.796 0.074 1.00 0.00 O ATOM 485 O5' C A 16 2.009 -12.472 2.516 1.00 0.00 O ATOM 486 C5' C A 16 2.775 -12.488 3.714 1.00 0.00 C ATOM 487 C4' C A 16 1.947 -12.027 4.926 1.00 0.00 C ATOM 488 O4' C A 16 1.394 -10.730 4.737 1.00 0.00 O ATOM 489 C3' C A 16 0.746 -12.921 5.252 1.00 0.00 C ATOM 490 O3' C A 16 1.107 -14.133 5.889 1.00 0.00 O ATOM 491 C2' C A 16 -0.101 -11.976 6.110 1.00 0.00 C ATOM 492 O2' C A 16 0.315 -11.903 7.466 1.00 0.00 O ATOM 493 C1' C A 16 0.142 -10.621 5.415 1.00 0.00 C ATOM 494 N1 C A 16 -1.007 -10.281 4.504 1.00 0.00 N ATOM 495 C2 C A 16 -2.204 -9.785 5.078 1.00 0.00 C ATOM 496 O2 C A 16 -2.321 -9.608 6.292 1.00 0.00 O ATOM 497 N3 C A 16 -3.263 -9.499 4.251 1.00 0.00 N ATOM 498 C4 C A 16 -3.191 -9.684 2.916 1.00 0.00 C ATOM 499 N4 C A 16 -4.260 -9.388 2.164 1.00 0.00 N ATOM 500 C5 C A 16 -1.981 -10.193 2.306 1.00 0.00 C ATOM 501 C6 C A 16 -0.933 -10.472 3.130 1.00 0.00 C ATOM 0 H5' C A 16 3.644 -11.840 3.599 1.00 0.00 H new ATOM 0 H5'' C A 16 3.151 -13.496 3.892 1.00 0.00 H new ATOM 0 H4' C A 16 2.674 -12.060 5.737 1.00 0.00 H new ATOM 0 H3' C A 16 0.214 -13.298 4.379 1.00 0.00 H new ATOM 0 H2' C A 16 -1.140 -12.300 6.168 1.00 0.00 H new ATOM 0 HO2' C A 16 0.882 -12.674 7.676 1.00 0.00 H new ATOM 0 HO3' C A 16 0.301 -14.659 6.073 1.00 0.00 H new ATOM 0 H1' C A 16 0.192 -9.797 6.126 1.00 0.00 H new ATOM 0 H41 C A 16 -4.225 -9.521 1.153 1.00 0.00 H new ATOM 0 H42 C A 16 -5.108 -9.030 2.602 1.00 0.00 H new ATOM 0 H5 C A 16 -1.912 -10.346 1.239 1.00 0.00 H new ATOM 0 H6 C A 16 -0.017 -10.853 2.703 1.00 0.00 H new TER 514 C A 16