USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 132 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 -3:sc= 0.442 USER MOD Single : A 1 G O5' : rot -67:sc= -1.8! USER MOD Single : A 2 G O2' : rot -149:sc= -0.049 USER MOD Single : A 3 U O2' : rot -18:sc= 0.241 USER MOD Single : A 4 G O2' : rot -12:sc= 0.275 USER MOD Single : A 5 U O2' : rot -37:sc= -0.273 USER MOD Single : A 6 G O2' : rot -105:sc= -2.38! USER MOD Single : A 7 A O2' : rot 167:sc= -1.5! USER MOD Single : A 8 A O2' : rot 70:sc= -4.19! USER MOD Single : A 9 C O2' : rot -171:sc= -3.26! USER MOD Single : A 10 A O2' : rot -97:sc= 0.211 USER MOD Single : A 11 C O2' : rot -22:sc= 0.256 USER MOD Single : A 12 C O2' : rot -5:sc= 0.426 USER MOD Single : A 12 C O3' : rot 180:sc= 0.342 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -3.445 -2.557 6.953 1.00 0.70 O ATOM 2 C5' G A 1 -3.749 -3.920 7.257 1.00 0.75 C ATOM 3 C4' G A 1 -5.127 -4.075 7.900 1.00 0.73 C ATOM 4 O4' G A 1 -5.446 -2.946 8.739 1.00 0.77 O ATOM 5 C3' G A 1 -6.206 -4.178 6.835 1.00 0.61 C ATOM 6 O3' G A 1 -6.969 -5.370 7.019 1.00 0.65 O ATOM 7 C2' G A 1 -7.056 -2.942 6.966 1.00 0.60 C ATOM 8 O2' G A 1 -8.402 -3.289 7.312 1.00 0.68 O ATOM 9 C1' G A 1 -6.412 -2.116 8.066 1.00 0.68 C ATOM 10 N9 G A 1 -5.755 -0.904 7.542 1.00 0.63 N ATOM 11 C8 G A 1 -4.564 -0.367 7.869 1.00 0.68 C ATOM 12 N7 G A 1 -4.209 0.760 7.379 1.00 0.64 N ATOM 13 C5 G A 1 -5.327 1.053 6.589 1.00 0.54 C ATOM 14 C6 G A 1 -5.583 2.174 5.763 1.00 0.47 C ATOM 15 O6 G A 1 -4.872 3.155 5.569 1.00 0.49 O ATOM 16 N1 G A 1 -6.816 2.077 5.137 1.00 0.43 N ATOM 17 C2 G A 1 -7.702 1.032 5.284 1.00 0.46 C ATOM 18 N2 G A 1 -8.829 1.116 4.586 1.00 0.49 N ATOM 19 N3 G A 1 -7.478 -0.031 6.061 1.00 0.51 N ATOM 20 C4 G A 1 -6.280 0.038 6.682 1.00 0.54 C ATOM 0 H5' G A 1 -2.989 -4.319 7.929 1.00 0.75 H new ATOM 0 H5'' G A 1 -3.708 -4.512 6.343 1.00 0.75 H new ATOM 0 H4' G A 1 -5.094 -4.984 8.501 1.00 0.73 H new ATOM 0 H3' G A 1 -5.781 -4.236 5.833 1.00 0.61 H new ATOM 0 H2' G A 1 -7.108 -2.388 6.029 1.00 0.60 H new ATOM 0 HO2' G A 1 -8.490 -4.264 7.346 1.00 0.68 H new ATOM 0 HO5' G A 1 -4.047 -2.237 6.249 1.00 0.70 H new ATOM 0 H1' G A 1 -7.189 -1.781 8.753 1.00 0.68 H new ATOM 0 H8 G A 1 -3.906 -0.890 8.547 1.00 0.68 H new ATOM 0 H1 G A 1 -7.089 2.840 4.518 1.00 0.43 H new ATOM 0 H21 G A 1 -9.526 0.374 4.651 1.00 0.49 H new ATOM 0 H22 G A 1 -8.997 1.922 3.985 1.00 0.49 H new ATOM 33 P G A 2 -6.317 -6.786 6.615 1.00 0.68 P ATOM 34 OP1 G A 2 -7.377 -7.817 6.676 1.00 0.72 O ATOM 35 OP2 G A 2 -5.067 -6.963 7.388 1.00 0.84 O ATOM 36 O5' G A 2 -5.927 -6.545 5.070 1.00 0.55 O ATOM 37 C5' G A 2 -6.905 -6.758 4.054 1.00 0.45 C ATOM 38 C4' G A 2 -6.952 -5.634 3.021 1.00 0.37 C ATOM 39 O4' G A 2 -7.031 -4.312 3.605 1.00 0.36 O ATOM 40 C3' G A 2 -5.732 -5.603 2.127 1.00 0.35 C ATOM 41 O3' G A 2 -5.794 -6.613 1.107 1.00 0.36 O ATOM 42 C2' G A 2 -5.797 -4.213 1.559 1.00 0.30 C ATOM 43 O2' G A 2 -6.605 -4.169 0.377 1.00 0.28 O ATOM 44 C1' G A 2 -6.414 -3.384 2.671 1.00 0.30 C ATOM 45 N9 G A 2 -5.411 -2.481 3.272 1.00 0.33 N ATOM 46 C8 G A 2 -4.543 -2.650 4.282 1.00 0.42 C ATOM 47 N7 G A 2 -3.743 -1.697 4.608 1.00 0.45 N ATOM 48 C5 G A 2 -4.119 -0.721 3.672 1.00 0.36 C ATOM 49 C6 G A 2 -3.624 0.598 3.465 1.00 0.35 C ATOM 50 O6 G A 2 -2.741 1.193 4.080 1.00 0.42 O ATOM 51 N1 G A 2 -4.281 1.229 2.416 1.00 0.27 N ATOM 52 C2 G A 2 -5.288 0.668 1.660 1.00 0.24 C ATOM 53 N2 G A 2 -5.792 1.421 0.693 1.00 0.27 N ATOM 54 N3 G A 2 -5.758 -0.561 1.843 1.00 0.24 N ATOM 55 C4 G A 2 -5.139 -1.200 2.855 1.00 0.29 C ATOM 0 H5' G A 2 -7.886 -6.858 4.518 1.00 0.45 H new ATOM 0 H5'' G A 2 -6.695 -7.700 3.548 1.00 0.45 H new ATOM 0 H4' G A 2 -7.856 -5.863 2.456 1.00 0.37 H new ATOM 0 H3' G A 2 -4.798 -5.814 2.647 1.00 0.35 H new ATOM 0 H2' G A 2 -4.816 -3.845 1.257 1.00 0.30 H new ATOM 0 HO2' G A 2 -6.263 -3.478 -0.227 1.00 0.28 H new ATOM 0 H1' G A 2 -7.188 -2.713 2.300 1.00 0.30 H new ATOM 0 H8 G A 2 -4.516 -3.586 4.821 1.00 0.42 H new ATOM 0 H1 G A 2 -3.996 2.181 2.187 1.00 0.27 H new ATOM 0 H21 G A 2 -6.539 1.058 0.101 1.00 0.27 H new ATOM 0 H22 G A 2 -5.432 2.363 0.541 1.00 0.27 H new ATOM 67 P U A 3 -4.680 -6.690 -0.057 1.00 0.40 P ATOM 68 OP1 U A 3 -4.758 -8.027 -0.685 1.00 0.50 O ATOM 69 OP2 U A 3 -3.393 -6.203 0.491 1.00 0.45 O ATOM 70 O5' U A 3 -5.219 -5.596 -1.110 1.00 0.34 O ATOM 71 C5' U A 3 -6.324 -5.891 -1.972 1.00 0.35 C ATOM 72 C4' U A 3 -6.411 -4.896 -3.125 1.00 0.32 C ATOM 73 O4' U A 3 -6.715 -3.556 -2.653 1.00 0.31 O ATOM 74 C3' U A 3 -5.086 -4.806 -3.853 1.00 0.30 C ATOM 75 O3' U A 3 -4.990 -5.719 -4.956 1.00 0.33 O ATOM 76 C2' U A 3 -5.028 -3.382 -4.305 1.00 0.30 C ATOM 77 O2' U A 3 -5.634 -3.227 -5.592 1.00 0.34 O ATOM 78 C1' U A 3 -5.786 -2.613 -3.254 1.00 0.29 C ATOM 79 N1 U A 3 -4.867 -2.053 -2.235 1.00 0.28 N ATOM 80 C2 U A 3 -4.422 -0.747 -2.377 1.00 0.29 C ATOM 81 O2 U A 3 -4.722 -0.049 -3.340 1.00 0.32 O ATOM 82 N3 U A 3 -3.605 -0.275 -1.359 1.00 0.29 N ATOM 83 C4 U A 3 -3.215 -0.982 -0.243 1.00 0.28 C ATOM 84 O4 U A 3 -2.516 -0.464 0.609 1.00 0.30 O ATOM 85 C5 U A 3 -3.716 -2.322 -0.189 1.00 0.29 C ATOM 86 C6 U A 3 -4.506 -2.806 -1.170 1.00 0.28 C ATOM 0 H5' U A 3 -7.251 -5.868 -1.399 1.00 0.35 H new ATOM 0 H5'' U A 3 -6.219 -6.901 -2.368 1.00 0.35 H new ATOM 0 H4' U A 3 -7.202 -5.257 -3.782 1.00 0.32 H new ATOM 0 H3' U A 3 -4.250 -5.085 -3.212 1.00 0.30 H new ATOM 0 H2' U A 3 -4.003 -3.028 -4.412 1.00 0.30 H new ATOM 0 HO2' U A 3 -5.706 -4.102 -6.027 1.00 0.34 H new ATOM 0 H1' U A 3 -6.312 -1.765 -3.692 1.00 0.29 H new ATOM 0 H3 U A 3 -3.262 0.682 -1.445 1.00 0.29 H new ATOM 0 H5 U A 3 -3.458 -2.954 0.648 1.00 0.29 H new ATOM 0 H6 U A 3 -4.861 -3.824 -1.103 1.00 0.28 H new ATOM 97 P G A 4 -3.797 -6.814 -5.004 1.00 0.32 P ATOM 98 OP1 G A 4 -4.057 -7.724 -6.142 1.00 0.38 O ATOM 99 OP2 G A 4 -3.632 -7.367 -3.642 1.00 0.33 O ATOM 100 O5' G A 4 -2.486 -5.929 -5.354 1.00 0.29 O ATOM 101 C5' G A 4 -2.381 -5.255 -6.615 1.00 0.30 C ATOM 102 C4' G A 4 -2.205 -3.743 -6.446 1.00 0.30 C ATOM 103 O4' G A 4 -2.808 -3.291 -5.224 1.00 0.31 O ATOM 104 C3' G A 4 -0.756 -3.315 -6.355 1.00 0.28 C ATOM 105 O3' G A 4 -0.167 -3.111 -7.643 1.00 0.32 O ATOM 106 C2' G A 4 -0.810 -2.032 -5.570 1.00 0.32 C ATOM 107 O2' G A 4 -0.894 -0.901 -6.445 1.00 0.38 O ATOM 108 C1' G A 4 -2.067 -2.163 -4.716 1.00 0.31 C ATOM 109 N9 G A 4 -1.687 -2.327 -3.309 1.00 0.30 N ATOM 110 C8 G A 4 -1.946 -3.303 -2.430 1.00 0.30 C ATOM 111 N7 G A 4 -1.454 -3.230 -1.238 1.00 0.32 N ATOM 112 C5 G A 4 -0.765 -2.005 -1.326 1.00 0.31 C ATOM 113 C6 G A 4 0.005 -1.296 -0.354 1.00 0.34 C ATOM 114 O6 G A 4 0.246 -1.606 0.812 1.00 0.37 O ATOM 115 N1 G A 4 0.503 -0.106 -0.876 1.00 0.34 N ATOM 116 C2 G A 4 0.292 0.345 -2.159 1.00 0.34 C ATOM 117 N2 G A 4 0.820 1.514 -2.471 1.00 0.36 N ATOM 118 N3 G A 4 -0.415 -0.306 -3.067 1.00 0.32 N ATOM 119 C4 G A 4 -0.913 -1.459 -2.594 1.00 0.31 C ATOM 0 H5' G A 4 -3.275 -5.452 -7.207 1.00 0.30 H new ATOM 0 H5'' G A 4 -1.535 -5.658 -7.172 1.00 0.30 H new ATOM 0 H4' G A 4 -2.672 -3.312 -7.332 1.00 0.30 H new ATOM 0 H3' G A 4 -0.134 -4.077 -5.886 1.00 0.28 H new ATOM 0 H2' G A 4 0.084 -1.875 -4.966 1.00 0.32 H new ATOM 0 HO2' G A 4 -0.702 -1.183 -7.364 1.00 0.38 H new ATOM 0 H1' G A 4 -2.694 -1.273 -4.768 1.00 0.31 H new ATOM 0 H8 G A 4 -2.561 -4.144 -2.715 1.00 0.30 H new ATOM 0 H1 G A 4 1.069 0.478 -0.260 1.00 0.34 H new ATOM 0 H21 G A 4 0.695 1.896 -3.408 1.00 0.36 H new ATOM 0 H22 G A 4 1.353 2.035 -1.775 1.00 0.36 H new ATOM 131 P U A 5 1.172 -3.907 -8.053 1.00 0.34 P ATOM 132 OP1 U A 5 1.850 -3.149 -9.129 1.00 0.47 O ATOM 133 OP2 U A 5 0.814 -5.327 -8.263 1.00 0.54 O ATOM 134 O5' U A 5 2.071 -3.811 -6.716 1.00 0.32 O ATOM 135 C5' U A 5 2.806 -2.620 -6.402 1.00 0.38 C ATOM 136 C4' U A 5 3.218 -2.582 -4.931 1.00 0.34 C ATOM 137 O4' U A 5 2.060 -2.678 -4.068 1.00 0.35 O ATOM 138 C3' U A 5 4.134 -3.745 -4.581 1.00 0.31 C ATOM 139 O3' U A 5 5.522 -3.378 -4.672 1.00 0.39 O ATOM 140 C2' U A 5 3.742 -4.121 -3.180 1.00 0.32 C ATOM 141 O2' U A 5 4.586 -3.483 -2.218 1.00 0.42 O ATOM 142 C1' U A 5 2.306 -3.660 -3.034 1.00 0.34 C ATOM 143 N1 U A 5 1.391 -4.815 -3.152 1.00 0.35 N ATOM 144 C2 U A 5 0.804 -5.286 -1.992 1.00 0.46 C ATOM 145 O2 U A 5 0.998 -4.761 -0.898 1.00 0.55 O ATOM 146 N3 U A 5 -0.010 -6.392 -2.128 1.00 0.54 N ATOM 147 C4 U A 5 -0.285 -7.062 -3.304 1.00 0.53 C ATOM 148 O4 U A 5 -1.015 -8.049 -3.304 1.00 0.65 O ATOM 149 C5 U A 5 0.365 -6.504 -4.467 1.00 0.43 C ATOM 150 C6 U A 5 1.167 -5.419 -4.360 1.00 0.34 C ATOM 0 H5' U A 5 2.198 -1.745 -6.632 1.00 0.38 H new ATOM 0 H5'' U A 5 3.695 -2.564 -7.031 1.00 0.38 H new ATOM 0 H4' U A 5 3.736 -1.635 -4.780 1.00 0.34 H new ATOM 0 H3' U A 5 4.024 -4.579 -5.274 1.00 0.31 H new ATOM 0 H2' U A 5 3.845 -5.192 -3.005 1.00 0.32 H new ATOM 0 HO2' U A 5 5.502 -3.442 -2.563 1.00 0.42 H new ATOM 0 H1' U A 5 2.132 -3.213 -2.055 1.00 0.34 H new ATOM 0 H3 U A 5 -0.450 -6.748 -1.280 1.00 0.54 H new ATOM 0 H5 U A 5 0.209 -6.958 -5.434 1.00 0.43 H new ATOM 0 H6 U A 5 1.640 -5.022 -5.246 1.00 0.34 H new ATOM 161 P G A 6 6.430 -3.852 -5.925 1.00 0.48 P ATOM 162 OP1 G A 6 7.227 -2.687 -6.381 1.00 0.64 O ATOM 163 OP2 G A 6 5.560 -4.565 -6.889 1.00 0.50 O ATOM 164 O5' G A 6 7.445 -4.930 -5.272 1.00 0.51 O ATOM 165 C5' G A 6 8.412 -4.521 -4.302 1.00 0.56 C ATOM 166 C4' G A 6 7.955 -4.807 -2.869 1.00 0.54 C ATOM 167 O4' G A 6 6.517 -4.764 -2.762 1.00 0.46 O ATOM 168 C3' G A 6 8.372 -6.182 -2.364 1.00 0.63 C ATOM 169 O3' G A 6 9.718 -6.140 -1.814 1.00 0.74 O ATOM 170 C2' G A 6 7.287 -6.535 -1.359 1.00 0.63 C ATOM 171 O2' G A 6 7.607 -6.106 -0.034 1.00 0.72 O ATOM 172 C1' G A 6 6.070 -5.796 -1.846 1.00 0.52 C ATOM 173 N9 G A 6 5.134 -6.748 -2.477 1.00 0.52 N ATOM 174 C8 G A 6 4.101 -7.396 -1.933 1.00 0.60 C ATOM 175 N7 G A 6 3.400 -8.208 -2.632 1.00 0.64 N ATOM 176 C5 G A 6 4.061 -8.107 -3.863 1.00 0.59 C ATOM 177 C6 G A 6 3.794 -8.760 -5.096 1.00 0.67 C ATOM 178 O6 G A 6 2.905 -9.565 -5.359 1.00 0.77 O ATOM 179 N1 G A 6 4.698 -8.380 -6.076 1.00 0.68 N ATOM 180 C2 G A 6 5.730 -7.485 -5.900 1.00 0.64 C ATOM 181 N2 G A 6 6.497 -7.255 -6.959 1.00 0.74 N ATOM 182 N3 G A 6 5.990 -6.866 -4.749 1.00 0.55 N ATOM 183 C4 G A 6 5.129 -7.214 -3.777 1.00 0.52 C ATOM 0 H5' G A 6 8.606 -3.454 -4.413 1.00 0.56 H new ATOM 0 H5'' G A 6 9.353 -5.037 -4.491 1.00 0.56 H new ATOM 0 H4' G A 6 8.434 -4.032 -2.270 1.00 0.54 H new ATOM 0 H3' G A 6 8.440 -6.947 -3.138 1.00 0.63 H new ATOM 0 H2' G A 6 7.151 -7.615 -1.298 1.00 0.63 H new ATOM 0 HO2' G A 6 7.869 -6.880 0.506 1.00 0.72 H new ATOM 0 H1' G A 6 5.531 -5.322 -1.026 1.00 0.52 H new ATOM 0 H8 G A 6 3.855 -7.234 -0.894 1.00 0.60 H new ATOM 0 H1 G A 6 4.590 -8.796 -7.001 1.00 0.68 H new ATOM 0 H21 G A 6 7.278 -6.602 -6.891 1.00 0.74 H new ATOM 0 H22 G A 6 6.306 -7.731 -7.840 1.00 0.74 H new ATOM 195 P A A 7 10.157 -6.768 -0.383 1.00 0.84 P ATOM 196 OP1 A A 7 11.602 -7.080 -0.446 1.00 0.98 O ATOM 197 OP2 A A 7 9.196 -7.832 -0.001 1.00 0.87 O ATOM 198 O5' A A 7 9.960 -5.513 0.617 1.00 0.78 O ATOM 199 C5' A A 7 9.887 -4.186 0.079 1.00 0.79 C ATOM 200 C4' A A 7 9.758 -3.103 1.150 1.00 0.68 C ATOM 201 O4' A A 7 9.814 -1.799 0.534 1.00 0.69 O ATOM 202 C3' A A 7 8.412 -3.159 1.848 1.00 0.65 C ATOM 203 O3' A A 7 8.446 -2.611 3.188 1.00 0.77 O ATOM 204 C2' A A 7 7.529 -2.363 0.949 1.00 0.65 C ATOM 205 O2' A A 7 6.476 -1.763 1.693 1.00 0.83 O ATOM 206 C1' A A 7 8.456 -1.323 0.323 1.00 0.60 C ATOM 207 N9 A A 7 8.193 -1.167 -1.126 1.00 0.61 N ATOM 208 C8 A A 7 7.357 -1.840 -1.942 1.00 0.66 C ATOM 209 N7 A A 7 7.323 -1.569 -3.192 1.00 0.73 N ATOM 210 C5 A A 7 8.284 -0.552 -3.253 1.00 0.73 C ATOM 211 C6 A A 7 8.777 0.221 -4.308 1.00 0.85 C ATOM 212 N6 A A 7 8.366 0.079 -5.567 1.00 0.97 N ATOM 213 N1 A A 7 9.718 1.137 -4.020 1.00 0.91 N ATOM 214 C2 A A 7 10.154 1.288 -2.766 1.00 0.86 C ATOM 215 N3 A A 7 9.761 0.613 -1.688 1.00 0.73 N ATOM 216 C4 A A 7 8.817 -0.298 -1.999 1.00 0.66 C ATOM 0 H5' A A 7 9.034 -4.122 -0.596 1.00 0.79 H new ATOM 0 H5'' A A 7 10.780 -3.994 -0.516 1.00 0.79 H new ATOM 0 H4' A A 7 10.569 -3.271 1.859 1.00 0.68 H new ATOM 0 H3' A A 7 8.069 -4.183 1.997 1.00 0.65 H new ATOM 0 H2' A A 7 7.040 -2.969 0.186 1.00 0.65 H new ATOM 0 HO2' A A 7 6.036 -1.080 1.145 1.00 0.83 H new ATOM 0 H1' A A 7 8.295 -0.347 0.781 1.00 0.60 H new ATOM 0 H8 A A 7 6.715 -2.609 -1.540 1.00 0.66 H new ATOM 0 H61 A A 7 8.758 0.669 -6.301 1.00 0.97 H new ATOM 0 H62 A A 7 7.659 -0.620 -5.797 1.00 0.97 H new ATOM 0 H2 A A 7 10.910 2.043 -2.609 1.00 0.86 H new ATOM 228 P A A 8 9.509 -1.484 3.656 1.00 0.74 P ATOM 229 OP1 A A 8 10.871 -1.932 3.287 1.00 1.15 O ATOM 230 OP2 A A 8 9.208 -1.132 5.063 1.00 0.81 O ATOM 231 O5' A A 8 9.113 -0.226 2.734 1.00 0.65 O ATOM 232 C5' A A 8 10.106 0.707 2.293 1.00 0.62 C ATOM 233 C4' A A 8 9.489 2.065 1.982 1.00 0.50 C ATOM 234 O4' A A 8 8.495 1.956 0.926 1.00 0.47 O ATOM 235 C3' A A 8 8.775 2.619 3.204 1.00 0.47 C ATOM 236 O3' A A 8 8.943 4.047 3.281 1.00 0.43 O ATOM 237 C2' A A 8 7.343 2.210 2.989 1.00 0.45 C ATOM 238 O2' A A 8 6.401 3.088 3.611 1.00 0.48 O ATOM 239 C1' A A 8 7.180 2.198 1.482 1.00 0.43 C ATOM 240 N9 A A 8 6.189 1.179 1.080 1.00 0.47 N ATOM 241 C8 A A 8 5.377 0.438 1.851 1.00 0.55 C ATOM 242 N7 A A 8 4.488 -0.309 1.321 1.00 0.61 N ATOM 243 C5 A A 8 4.724 -0.053 -0.032 1.00 0.56 C ATOM 244 C6 A A 8 4.121 -0.527 -1.194 1.00 0.62 C ATOM 245 N6 A A 8 3.096 -1.369 -1.183 1.00 0.72 N ATOM 246 N1 A A 8 4.593 -0.082 -2.365 1.00 0.62 N ATOM 247 C2 A A 8 5.603 0.784 -2.402 1.00 0.57 C ATOM 248 N3 A A 8 6.254 1.314 -1.363 1.00 0.49 N ATOM 249 C4 A A 8 5.763 0.851 -0.195 1.00 0.49 C ATOM 0 H5' A A 8 10.604 0.319 1.404 1.00 0.62 H new ATOM 0 H5'' A A 8 10.870 0.820 3.062 1.00 0.62 H new ATOM 0 H4' A A 8 10.304 2.720 1.675 1.00 0.50 H new ATOM 0 H3' A A 8 9.162 2.242 4.151 1.00 0.47 H new ATOM 0 H2' A A 8 7.139 1.243 3.448 1.00 0.45 H new ATOM 0 HO2' A A 8 6.391 3.946 3.137 1.00 0.48 H new ATOM 0 H1' A A 8 6.795 3.145 1.105 1.00 0.43 H new ATOM 0 H8 A A 8 5.477 0.474 2.926 1.00 0.55 H new ATOM 0 H61 A A 8 2.688 -1.688 -2.062 1.00 0.72 H new ATOM 0 H62 A A 8 2.716 -1.698 -0.296 1.00 0.72 H new ATOM 0 H2 A A 8 5.933 1.093 -3.383 1.00 0.57 H new ATOM 261 P C A 9 8.189 4.939 4.398 1.00 0.43 P ATOM 262 OP1 C A 9 8.975 6.176 4.608 1.00 0.54 O ATOM 263 OP2 C A 9 7.856 4.073 5.552 1.00 0.49 O ATOM 264 O5' C A 9 6.824 5.330 3.633 1.00 0.39 O ATOM 265 C5' C A 9 6.887 5.954 2.349 1.00 0.45 C ATOM 266 C4' C A 9 5.649 5.690 1.490 1.00 0.41 C ATOM 267 O4' C A 9 5.473 4.304 1.128 1.00 0.41 O ATOM 268 C3' C A 9 4.367 6.058 2.186 1.00 0.40 C ATOM 269 O3' C A 9 4.130 7.476 2.225 1.00 0.43 O ATOM 270 C2' C A 9 3.340 5.345 1.363 1.00 0.38 C ATOM 271 O2' C A 9 2.902 6.164 0.277 1.00 0.41 O ATOM 272 C1' C A 9 4.058 4.118 0.837 1.00 0.38 C ATOM 273 N1 C A 9 3.482 2.912 1.466 1.00 0.36 N ATOM 274 C2 C A 9 2.681 2.108 0.670 1.00 0.34 C ATOM 275 O2 C A 9 2.528 2.376 -0.518 1.00 0.35 O ATOM 276 N3 C A 9 2.076 1.032 1.234 1.00 0.35 N ATOM 277 C4 C A 9 2.249 0.749 2.528 1.00 0.37 C ATOM 278 N4 C A 9 1.651 -0.324 3.041 1.00 0.39 N ATOM 279 C5 C A 9 3.076 1.572 3.359 1.00 0.39 C ATOM 280 C6 C A 9 3.671 2.639 2.788 1.00 0.38 C ATOM 0 H5' C A 9 7.771 5.596 1.821 1.00 0.45 H new ATOM 0 H5'' C A 9 7.008 7.029 2.480 1.00 0.45 H new ATOM 0 H4' C A 9 5.836 6.307 0.611 1.00 0.41 H new ATOM 0 H3' C A 9 4.366 5.775 3.239 1.00 0.40 H new ATOM 0 H2' C A 9 2.452 5.095 1.943 1.00 0.38 H new ATOM 0 HO2' C A 9 2.132 5.744 -0.160 1.00 0.41 H new ATOM 0 H1' C A 9 3.939 3.985 -0.238 1.00 0.38 H new ATOM 0 H41 C A 9 1.773 -0.553 4.027 1.00 0.39 H new ATOM 0 H42 C A 9 1.070 -0.917 2.448 1.00 0.39 H new ATOM 0 H5 C A 9 3.218 1.346 4.406 1.00 0.39 H new ATOM 0 H6 C A 9 4.302 3.282 3.383 1.00 0.38 H new ATOM 292 P A A 10 2.700 8.064 2.705 1.00 0.46 P ATOM 293 OP1 A A 10 2.868 9.507 2.993 1.00 0.48 O ATOM 294 OP2 A A 10 2.153 7.163 3.746 1.00 0.53 O ATOM 295 O5' A A 10 1.784 7.913 1.380 1.00 0.43 O ATOM 296 C5' A A 10 1.872 8.874 0.319 1.00 0.49 C ATOM 297 C4' A A 10 0.996 8.509 -0.882 1.00 0.46 C ATOM 298 O4' A A 10 1.331 7.209 -1.423 1.00 0.47 O ATOM 299 C3' A A 10 -0.475 8.452 -0.516 1.00 0.40 C ATOM 300 O3' A A 10 -1.112 9.725 -0.648 1.00 0.42 O ATOM 301 C2' A A 10 -1.036 7.426 -1.450 1.00 0.39 C ATOM 302 O2' A A 10 -1.424 8.018 -2.695 1.00 0.44 O ATOM 303 C1' A A 10 0.110 6.457 -1.637 1.00 0.42 C ATOM 304 N9 A A 10 -0.002 5.370 -0.655 1.00 0.38 N ATOM 305 C8 A A 10 0.536 5.259 0.570 1.00 0.38 C ATOM 306 N7 A A 10 0.322 4.214 1.270 1.00 0.37 N ATOM 307 C5 A A 10 -0.495 3.495 0.393 1.00 0.34 C ATOM 308 C6 A A 10 -1.110 2.254 0.496 1.00 0.33 C ATOM 309 N6 A A 10 -0.966 1.482 1.571 1.00 0.35 N ATOM 310 N1 A A 10 -1.856 1.839 -0.552 1.00 0.31 N ATOM 311 C2 A A 10 -1.978 2.614 -1.638 1.00 0.33 C ATOM 312 N3 A A 10 -1.433 3.808 -1.841 1.00 0.35 N ATOM 313 C4 A A 10 -0.700 4.194 -0.783 1.00 0.35 C ATOM 0 H5' A A 10 2.909 8.958 -0.005 1.00 0.49 H new ATOM 0 H5'' A A 10 1.576 9.853 0.695 1.00 0.49 H new ATOM 0 H4' A A 10 1.183 9.293 -1.616 1.00 0.46 H new ATOM 0 H3' A A 10 -0.638 8.187 0.529 1.00 0.40 H new ATOM 0 H2' A A 10 -1.936 6.947 -1.065 1.00 0.39 H new ATOM 0 HO2' A A 10 -2.384 8.212 -2.680 1.00 0.44 H new ATOM 0 H1' A A 10 0.101 6.013 -2.632 1.00 0.42 H new ATOM 0 H8 A A 10 1.151 6.055 0.963 1.00 0.38 H new ATOM 0 H61 A A 10 -1.432 0.576 1.614 1.00 0.35 H new ATOM 0 H62 A A 10 -0.390 1.797 2.351 1.00 0.35 H new ATOM 0 H2 A A 10 -2.589 2.224 -2.439 1.00 0.33 H new ATOM 325 P C A 11 -1.711 10.458 0.659 1.00 0.43 P ATOM 326 OP1 C A 11 -1.691 11.918 0.422 1.00 0.51 O ATOM 327 OP2 C A 11 -1.044 9.893 1.855 1.00 0.51 O ATOM 328 O5' C A 11 -3.245 9.968 0.666 1.00 0.38 O ATOM 329 C5' C A 11 -4.057 10.135 -0.498 1.00 0.39 C ATOM 330 C4' C A 11 -4.604 8.806 -1.006 1.00 0.35 C ATOM 331 O4' C A 11 -3.597 7.770 -0.977 1.00 0.31 O ATOM 332 C3' C A 11 -5.738 8.295 -0.147 1.00 0.36 C ATOM 333 O3' C A 11 -6.993 8.853 -0.555 1.00 0.47 O ATOM 334 C2' C A 11 -5.694 6.810 -0.363 1.00 0.33 C ATOM 335 O2' C A 11 -6.495 6.434 -1.487 1.00 0.41 O ATOM 336 C1' C A 11 -4.224 6.513 -0.613 1.00 0.27 C ATOM 337 N1 C A 11 -3.595 5.901 0.582 1.00 0.23 N ATOM 338 C2 C A 11 -3.926 4.583 0.862 1.00 0.23 C ATOM 339 O2 C A 11 -4.725 3.986 0.148 1.00 0.26 O ATOM 340 N3 C A 11 -3.347 3.981 1.936 1.00 0.26 N ATOM 341 C4 C A 11 -2.477 4.645 2.705 1.00 0.31 C ATOM 342 N4 C A 11 -1.916 4.018 3.737 1.00 0.39 N ATOM 343 C5 C A 11 -2.133 6.006 2.426 1.00 0.31 C ATOM 344 C6 C A 11 -2.713 6.594 1.360 1.00 0.27 C ATOM 0 H5' C A 11 -3.471 10.610 -1.284 1.00 0.39 H new ATOM 0 H5'' C A 11 -4.886 10.805 -0.269 1.00 0.39 H new ATOM 0 H4' C A 11 -4.941 9.008 -2.023 1.00 0.35 H new ATOM 0 H3' C A 11 -5.636 8.571 0.903 1.00 0.36 H new ATOM 0 H2' C A 11 -6.091 6.252 0.485 1.00 0.33 H new ATOM 0 HO2' C A 11 -7.158 7.133 -1.665 1.00 0.41 H new ATOM 0 H1' C A 11 -4.100 5.788 -1.417 1.00 0.27 H new ATOM 0 H41 C A 11 -1.251 4.511 4.333 1.00 0.39 H new ATOM 0 H42 C A 11 -2.152 3.045 3.932 1.00 0.39 H new ATOM 0 H5 C A 11 -1.433 6.544 3.048 1.00 0.31 H new ATOM 0 H6 C A 11 -2.478 7.620 1.120 1.00 0.27 H new ATOM 356 P C A 12 -7.712 9.993 0.329 1.00 0.55 P ATOM 357 OP1 C A 12 -8.143 11.082 -0.576 1.00 0.69 O ATOM 358 OP2 C A 12 -6.847 10.295 1.493 1.00 0.58 O ATOM 359 O5' C A 12 -9.027 9.232 0.867 1.00 0.61 O ATOM 360 C5' C A 12 -9.974 8.674 -0.053 1.00 0.66 C ATOM 361 C4' C A 12 -10.378 7.258 0.346 1.00 0.65 C ATOM 362 O4' C A 12 -9.226 6.396 0.436 1.00 0.54 O ATOM 363 C3' C A 12 -11.069 7.247 1.700 1.00 0.72 C ATOM 364 O3' C A 12 -12.492 7.162 1.552 1.00 0.89 O ATOM 365 C2' C A 12 -10.522 6.045 2.429 1.00 0.66 C ATOM 366 O2' C A 12 -11.509 5.011 2.507 1.00 0.78 O ATOM 367 C1' C A 12 -9.312 5.580 1.625 1.00 0.52 C ATOM 368 N1 C A 12 -8.073 5.683 2.426 1.00 0.45 N ATOM 369 C2 C A 12 -7.693 4.570 3.163 1.00 0.42 C ATOM 370 O2 C A 12 -8.394 3.561 3.168 1.00 0.45 O ATOM 371 N3 C A 12 -6.539 4.630 3.879 1.00 0.41 N ATOM 372 C4 C A 12 -5.786 5.737 3.874 1.00 0.41 C ATOM 373 N4 C A 12 -4.657 5.761 4.577 1.00 0.45 N ATOM 374 C5 C A 12 -6.174 6.889 3.120 1.00 0.42 C ATOM 375 C6 C A 12 -7.319 6.818 2.415 1.00 0.44 C ATOM 0 H5' C A 12 -9.545 8.662 -1.055 1.00 0.66 H new ATOM 0 H5'' C A 12 -10.860 9.308 -0.093 1.00 0.66 H new ATOM 0 H4' C A 12 -11.058 6.898 -0.426 1.00 0.65 H new ATOM 0 H3' C A 12 -10.879 8.167 2.253 1.00 0.72 H new ATOM 0 H2' C A 12 -10.245 6.292 3.454 1.00 0.66 H new ATOM 0 HO2' C A 12 -12.358 5.341 2.145 1.00 0.78 H new ATOM 0 HO3' C A 12 -12.913 7.155 2.437 1.00 0.89 H new ATOM 0 H1' C A 12 -9.428 4.531 1.351 1.00 0.52 H new ATOM 0 H41 C A 12 -4.076 6.599 4.580 1.00 0.45 H new ATOM 0 H42 C A 12 -4.372 4.941 5.113 1.00 0.45 H new ATOM 0 H5 C A 12 -5.570 7.784 3.116 1.00 0.42 H new ATOM 0 H6 C A 12 -7.643 7.669 1.835 1.00 0.44 H new TER 388 C A 12