USER MOD reduce.3.24.130724 H: found=0, std=0, add=154, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 154 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 -18:sc= 0.376 USER MOD Single : A 1 G O5' : rot 5:sc= 1.05 USER MOD Single : A 2 G O2' : rot -11:sc= 0.286 USER MOD Single : A 3 U O2' : rot -14:sc= 0.267 USER MOD Single : A 4 U O2' : rot -1:sc= -1.11 USER MOD Single : A 5 C O2' : rot -5:sc= 0.358 USER MOD Single : A 6 A O2' : rot -8:sc= -1.87! USER MOD Single : A 7 G O2' : rot 14:sc= 0.364 USER MOD Single : A 8 A O2' : rot -152:sc= -5.95! USER MOD Single : A 9 A O2' : rot -4:sc= 0.622 USER MOD Single : A 10 G O2' : rot -2:sc= -0.518 USER MOD Single : A 11 A O2' : rot -145:sc= 0.984 USER MOD Single : A 12 A O2' : rot -22:sc= 0.309 USER MOD Single : A 13 C O2' : rot -113:sc= 0.689 USER MOD Single : A 14 C O2' : rot -15:sc= 0.195 USER MOD Single : A 14 C O3' : rot 180:sc= 0.187 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -3.381 -5.434 -8.962 1.00 0.00 O ATOM 2 C5' G A 1 -4.648 -5.631 -9.597 1.00 0.00 C ATOM 3 C4' G A 1 -5.443 -6.749 -8.927 1.00 0.00 C ATOM 4 O4' G A 1 -4.717 -7.986 -8.952 1.00 0.00 O ATOM 5 C3' G A 1 -5.698 -6.434 -7.457 1.00 0.00 C ATOM 6 O3' G A 1 -7.020 -5.905 -7.332 1.00 0.00 O ATOM 7 C2' G A 1 -5.664 -7.798 -6.793 1.00 0.00 C ATOM 8 O2' G A 1 -6.942 -8.444 -6.849 1.00 0.00 O ATOM 9 C1' G A 1 -4.628 -8.535 -7.629 1.00 0.00 C ATOM 10 N9 G A 1 -3.274 -8.356 -7.071 1.00 0.00 N ATOM 11 C8 G A 1 -2.182 -7.773 -7.622 1.00 0.00 C ATOM 12 N7 G A 1 -1.102 -7.736 -6.916 1.00 0.00 N ATOM 13 C5 G A 1 -1.510 -8.372 -5.739 1.00 0.00 C ATOM 14 C6 G A 1 -0.777 -8.650 -4.552 1.00 0.00 C ATOM 15 O6 G A 1 0.397 -8.387 -4.301 1.00 0.00 O ATOM 16 N1 G A 1 -1.562 -9.304 -3.611 1.00 0.00 N ATOM 17 C2 G A 1 -2.888 -9.651 -3.783 1.00 0.00 C ATOM 18 N2 G A 1 -3.472 -10.276 -2.760 1.00 0.00 N ATOM 19 N3 G A 1 -3.584 -9.391 -4.894 1.00 0.00 N ATOM 20 C4 G A 1 -2.839 -8.754 -5.827 1.00 0.00 C ATOM 0 H5' G A 1 -4.495 -5.872 -10.649 1.00 0.00 H new ATOM 0 H5'' G A 1 -5.221 -4.705 -9.562 1.00 0.00 H new ATOM 0 H4' G A 1 -6.379 -6.832 -9.480 1.00 0.00 H new ATOM 0 H3' G A 1 -4.988 -5.724 -7.033 1.00 0.00 H new ATOM 0 H2' G A 1 -5.422 -7.760 -5.731 1.00 0.00 H new ATOM 0 HO2' G A 1 -7.637 -7.778 -7.034 1.00 0.00 H new ATOM 0 HO5' G A 1 -3.254 -6.114 -8.268 1.00 0.00 H new ATOM 0 H1' G A 1 -4.818 -9.608 -7.635 1.00 0.00 H new ATOM 0 H8 G A 1 -2.214 -7.354 -8.617 1.00 0.00 H new ATOM 0 H1 G A 1 -1.125 -9.547 -2.722 1.00 0.00 H new ATOM 0 H21 G A 1 -4.450 -10.558 -2.826 1.00 0.00 H new ATOM 0 H22 G A 1 -2.941 -10.472 -1.912 1.00 0.00 H new ATOM 33 P G A 2 -7.281 -4.550 -6.501 1.00 0.00 P ATOM 34 OP1 G A 2 -8.450 -3.861 -7.091 1.00 0.00 O ATOM 35 OP2 G A 2 -5.992 -3.833 -6.368 1.00 0.00 O ATOM 36 O5' G A 2 -7.699 -5.103 -5.048 1.00 0.00 O ATOM 37 C5' G A 2 -9.022 -5.592 -4.813 1.00 0.00 C ATOM 38 C4' G A 2 -9.111 -6.365 -3.501 1.00 0.00 C ATOM 39 O4' G A 2 -8.110 -7.388 -3.428 1.00 0.00 O ATOM 40 C3' G A 2 -8.854 -5.456 -2.311 1.00 0.00 C ATOM 41 O3' G A 2 -10.108 -4.963 -1.836 1.00 0.00 O ATOM 42 C2' G A 2 -8.288 -6.408 -1.277 1.00 0.00 C ATOM 43 O2' G A 2 -9.326 -7.092 -0.566 1.00 0.00 O ATOM 44 C1' G A 2 -7.475 -7.365 -2.138 1.00 0.00 C ATOM 45 N9 G A 2 -6.075 -6.911 -2.244 1.00 0.00 N ATOM 46 C8 G A 2 -5.418 -6.374 -3.300 1.00 0.00 C ATOM 47 N7 G A 2 -4.180 -6.050 -3.134 1.00 0.00 N ATOM 48 C5 G A 2 -3.967 -6.412 -1.801 1.00 0.00 C ATOM 49 C6 G A 2 -2.793 -6.310 -1.006 1.00 0.00 C ATOM 50 O6 G A 2 -1.691 -5.872 -1.327 1.00 0.00 O ATOM 51 N1 G A 2 -3.008 -6.786 0.282 1.00 0.00 N ATOM 52 C2 G A 2 -4.199 -7.299 0.753 1.00 0.00 C ATOM 53 N2 G A 2 -4.202 -7.706 2.021 1.00 0.00 N ATOM 54 N3 G A 2 -5.308 -7.399 0.012 1.00 0.00 N ATOM 55 C4 G A 2 -5.124 -6.941 -1.248 1.00 0.00 C ATOM 0 H5' G A 2 -9.323 -6.238 -5.638 1.00 0.00 H new ATOM 0 H5'' G A 2 -9.721 -4.756 -4.791 1.00 0.00 H new ATOM 0 H4' G A 2 -10.115 -6.789 -3.473 1.00 0.00 H new ATOM 0 H3' G A 2 -8.206 -4.608 -2.534 1.00 0.00 H new ATOM 0 H2' G A 2 -7.704 -5.914 -0.500 1.00 0.00 H new ATOM 0 HO2' G A 2 -10.190 -6.674 -0.766 1.00 0.00 H new ATOM 0 H1' G A 2 -7.446 -8.363 -1.701 1.00 0.00 H new ATOM 0 H8 G A 2 -5.913 -6.222 -4.248 1.00 0.00 H new ATOM 0 H1 G A 2 -2.222 -6.753 0.931 1.00 0.00 H new ATOM 0 H21 G A 2 -5.052 -8.095 2.430 1.00 0.00 H new ATOM 0 H22 G A 2 -3.355 -7.628 2.583 1.00 0.00 H new ATOM 67 P U A 3 -10.297 -3.394 -1.528 1.00 0.00 P ATOM 68 OP1 U A 3 -11.747 -3.115 -1.416 1.00 0.00 O ATOM 69 OP2 U A 3 -9.471 -2.631 -2.491 1.00 0.00 O ATOM 70 O5' U A 3 -9.639 -3.242 -0.066 1.00 0.00 O ATOM 71 C5' U A 3 -10.432 -3.442 1.107 1.00 0.00 C ATOM 72 C4' U A 3 -9.575 -3.489 2.369 1.00 0.00 C ATOM 73 O4' U A 3 -8.504 -4.428 2.249 1.00 0.00 O ATOM 74 C3' U A 3 -8.898 -2.158 2.624 1.00 0.00 C ATOM 75 O3' U A 3 -9.775 -1.337 3.399 1.00 0.00 O ATOM 76 C2' U A 3 -7.714 -2.553 3.488 1.00 0.00 C ATOM 77 O2' U A 3 -8.078 -2.637 4.871 1.00 0.00 O ATOM 78 C1' U A 3 -7.338 -3.922 2.924 1.00 0.00 C ATOM 79 N1 U A 3 -6.194 -3.807 2.000 1.00 0.00 N ATOM 80 C2 U A 3 -4.937 -3.711 2.561 1.00 0.00 C ATOM 81 O2 U A 3 -4.764 -3.724 3.778 1.00 0.00 O ATOM 82 N3 U A 3 -3.882 -3.601 1.675 1.00 0.00 N ATOM 83 C4 U A 3 -3.975 -3.577 0.294 1.00 0.00 C ATOM 84 O4 U A 3 -2.965 -3.477 -0.399 1.00 0.00 O ATOM 85 C5 U A 3 -5.327 -3.682 -0.206 1.00 0.00 C ATOM 86 C6 U A 3 -6.377 -3.791 0.644 1.00 0.00 C ATOM 0 H5' U A 3 -10.992 -4.372 1.013 1.00 0.00 H new ATOM 0 H5'' U A 3 -11.163 -2.638 1.193 1.00 0.00 H new ATOM 0 H4' U A 3 -10.261 -3.762 3.171 1.00 0.00 H new ATOM 0 H3' U A 3 -8.629 -1.615 1.718 1.00 0.00 H new ATOM 0 H2' U A 3 -6.897 -1.832 3.460 1.00 0.00 H new ATOM 0 HO2' U A 3 -8.952 -2.214 5.006 1.00 0.00 H new ATOM 0 H1' U A 3 -7.031 -4.603 3.718 1.00 0.00 H new ATOM 0 H3 U A 3 -2.947 -3.531 2.076 1.00 0.00 H new ATOM 0 H5 U A 3 -5.503 -3.673 -1.272 1.00 0.00 H new ATOM 0 H6 U A 3 -7.377 -3.867 0.244 1.00 0.00 H new ATOM 97 P U A 4 -9.705 0.267 3.279 1.00 0.00 P ATOM 98 OP1 U A 4 -10.793 0.842 4.100 1.00 0.00 O ATOM 99 OP2 U A 4 -9.598 0.620 1.844 1.00 0.00 O ATOM 100 O5' U A 4 -8.303 0.611 3.989 1.00 0.00 O ATOM 101 C5' U A 4 -8.240 0.779 5.406 1.00 0.00 C ATOM 102 C4' U A 4 -6.804 0.951 5.895 1.00 0.00 C ATOM 103 O4' U A 4 -5.939 -0.062 5.378 1.00 0.00 O ATOM 104 C3' U A 4 -6.202 2.253 5.404 1.00 0.00 C ATOM 105 O3' U A 4 -6.539 3.296 6.323 1.00 0.00 O ATOM 106 C2' U A 4 -4.715 1.976 5.513 1.00 0.00 C ATOM 107 O2' U A 4 -4.231 2.214 6.838 1.00 0.00 O ATOM 108 C1' U A 4 -4.630 0.495 5.148 1.00 0.00 C ATOM 109 N1 U A 4 -4.214 0.336 3.743 1.00 0.00 N ATOM 110 C2 U A 4 -2.859 0.351 3.478 1.00 0.00 C ATOM 111 O2 U A 4 -2.020 0.466 4.369 1.00 0.00 O ATOM 112 N3 U A 4 -2.498 0.233 2.149 1.00 0.00 N ATOM 113 C4 U A 4 -3.365 0.100 1.077 1.00 0.00 C ATOM 114 O4 U A 4 -2.932 0.003 -0.069 1.00 0.00 O ATOM 115 C5 U A 4 -4.762 0.091 1.447 1.00 0.00 C ATOM 116 C6 U A 4 -5.138 0.205 2.743 1.00 0.00 C ATOM 0 H5' U A 4 -8.689 -0.086 5.895 1.00 0.00 H new ATOM 0 H5'' U A 4 -8.829 1.650 5.695 1.00 0.00 H new ATOM 0 H4' U A 4 -6.871 0.911 6.982 1.00 0.00 H new ATOM 0 H3' U A 4 -6.535 2.552 4.410 1.00 0.00 H new ATOM 0 H2' U A 4 -4.108 2.619 4.876 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.966 2.531 7.403 1.00 0.00 H new ATOM 0 H1' U A 4 -3.886 -0.023 5.753 1.00 0.00 H new ATOM 0 H3 U A 4 -1.500 0.245 1.938 1.00 0.00 H new ATOM 0 H5 U A 4 -5.516 -0.008 0.680 1.00 0.00 H new ATOM 0 H6 U A 4 -6.189 0.192 2.992 1.00 0.00 H new ATOM 127 P C A 5 -6.480 4.837 5.856 1.00 0.00 P ATOM 128 OP1 C A 5 -6.818 5.688 7.018 1.00 0.00 O ATOM 129 OP2 C A 5 -7.247 4.969 4.596 1.00 0.00 O ATOM 130 O5' C A 5 -4.919 5.042 5.519 1.00 0.00 O ATOM 131 C5' C A 5 -3.968 5.209 6.574 1.00 0.00 C ATOM 132 C4' C A 5 -2.552 5.395 6.038 1.00 0.00 C ATOM 133 O4' C A 5 -2.147 4.301 5.223 1.00 0.00 O ATOM 134 C3' C A 5 -2.460 6.603 5.128 1.00 0.00 C ATOM 135 O3' C A 5 -2.183 7.755 5.928 1.00 0.00 O ATOM 136 C2' C A 5 -1.231 6.297 4.286 1.00 0.00 C ATOM 137 O2' C A 5 -0.042 6.817 4.891 1.00 0.00 O ATOM 138 C1' C A 5 -1.207 4.766 4.241 1.00 0.00 C ATOM 139 N1 C A 5 -1.558 4.279 2.894 1.00 0.00 N ATOM 140 C2 C A 5 -0.527 4.150 1.980 1.00 0.00 C ATOM 141 O2 C A 5 0.625 4.420 2.310 1.00 0.00 O ATOM 142 N3 C A 5 -0.829 3.719 0.726 1.00 0.00 N ATOM 143 C4 C A 5 -2.089 3.428 0.382 1.00 0.00 C ATOM 144 N4 C A 5 -2.346 3.011 -0.859 1.00 0.00 N ATOM 145 C5 C A 5 -3.157 3.560 1.323 1.00 0.00 C ATOM 146 C6 C A 5 -2.848 3.987 2.564 1.00 0.00 C ATOM 0 H5' C A 5 -3.997 4.339 7.230 1.00 0.00 H new ATOM 0 H5'' C A 5 -4.244 6.073 7.178 1.00 0.00 H new ATOM 0 H4' C A 5 -1.924 5.496 6.923 1.00 0.00 H new ATOM 0 H3' C A 5 -3.363 6.788 4.546 1.00 0.00 H new ATOM 0 H2' C A 5 -1.271 6.752 3.296 1.00 0.00 H new ATOM 0 HO2' C A 5 -0.280 7.333 5.690 1.00 0.00 H new ATOM 0 H1' C A 5 -0.209 4.386 4.461 1.00 0.00 H new ATOM 0 H41 C A 5 -3.302 2.786 -1.134 1.00 0.00 H new ATOM 0 H42 C A 5 -1.586 2.917 -1.533 1.00 0.00 H new ATOM 0 H5 C A 5 -4.175 3.326 1.050 1.00 0.00 H new ATOM 0 H6 C A 5 -3.628 4.099 3.302 1.00 0.00 H new ATOM 158 P A A 6 -2.205 9.224 5.272 1.00 0.00 P ATOM 159 OP1 A A 6 -1.270 10.084 6.031 1.00 0.00 O ATOM 160 OP2 A A 6 -3.617 9.636 5.105 1.00 0.00 O ATOM 161 O5' A A 6 -1.580 8.967 3.810 1.00 0.00 O ATOM 162 C5' A A 6 -0.731 9.943 3.202 1.00 0.00 C ATOM 163 C4' A A 6 -0.024 9.382 1.970 1.00 0.00 C ATOM 164 O4' A A 6 -0.391 8.029 1.733 1.00 0.00 O ATOM 165 C3' A A 6 -0.424 10.124 0.708 1.00 0.00 C ATOM 166 O3' A A 6 0.503 11.194 0.504 1.00 0.00 O ATOM 167 C2' A A 6 -0.216 9.094 -0.398 1.00 0.00 C ATOM 168 O2' A A 6 1.055 9.266 -1.035 1.00 0.00 O ATOM 169 C1' A A 6 -0.292 7.747 0.332 1.00 0.00 C ATOM 170 N9 A A 6 -1.449 6.962 -0.132 1.00 0.00 N ATOM 171 C8 A A 6 -2.567 6.583 0.535 1.00 0.00 C ATOM 172 N7 A A 6 -3.438 5.883 -0.110 1.00 0.00 N ATOM 173 C5 A A 6 -2.837 5.776 -1.368 1.00 0.00 C ATOM 174 C6 A A 6 -3.230 5.151 -2.556 1.00 0.00 C ATOM 175 N6 A A 6 -4.375 4.481 -2.683 1.00 0.00 N ATOM 176 N1 A A 6 -2.397 5.242 -3.609 1.00 0.00 N ATOM 177 C2 A A 6 -1.246 5.908 -3.503 1.00 0.00 C ATOM 178 N3 A A 6 -0.777 6.535 -2.429 1.00 0.00 N ATOM 179 C4 A A 6 -1.628 6.430 -1.389 1.00 0.00 C ATOM 0 H5' A A 6 0.011 10.282 3.925 1.00 0.00 H new ATOM 0 H5'' A A 6 -1.322 10.814 2.918 1.00 0.00 H new ATOM 0 H4' A A 6 1.041 9.485 2.177 1.00 0.00 H new ATOM 0 H3' A A 6 -1.437 10.526 0.743 1.00 0.00 H new ATOM 0 H2' A A 6 -0.955 9.181 -1.194 1.00 0.00 H new ATOM 0 HO2' A A 6 1.471 10.094 -0.716 1.00 0.00 H new ATOM 0 H1' A A 6 0.596 7.149 0.126 1.00 0.00 H new ATOM 0 H8 A A 6 -2.723 6.857 1.568 1.00 0.00 H new ATOM 0 H61 A A 6 -4.614 4.043 -3.573 1.00 0.00 H new ATOM 0 H62 A A 6 -5.013 4.406 -1.890 1.00 0.00 H new ATOM 0 H2 A A 6 -0.627 5.941 -4.387 1.00 0.00 H new ATOM 191 P G A 7 0.039 12.551 -0.228 1.00 0.00 P ATOM 192 OP1 G A 7 1.249 13.343 -0.544 1.00 0.00 O ATOM 193 OP2 G A 7 -1.052 13.156 0.567 1.00 0.00 O ATOM 194 O5' G A 7 -0.585 12.009 -1.610 1.00 0.00 O ATOM 195 C5' G A 7 0.250 11.814 -2.756 1.00 0.00 C ATOM 196 C4' G A 7 -0.515 11.179 -3.911 1.00 0.00 C ATOM 197 O4' G A 7 -1.141 9.961 -3.506 1.00 0.00 O ATOM 198 C3' G A 7 -1.631 12.103 -4.408 1.00 0.00 C ATOM 199 O3' G A 7 -1.494 12.240 -5.825 1.00 0.00 O ATOM 200 C2' G A 7 -2.922 11.339 -4.127 1.00 0.00 C ATOM 201 O2' G A 7 -3.884 11.534 -5.170 1.00 0.00 O ATOM 202 C1' G A 7 -2.443 9.900 -4.073 1.00 0.00 C ATOM 203 N9 G A 7 -3.339 9.064 -3.257 1.00 0.00 N ATOM 204 C8 G A 7 -3.950 7.898 -3.571 1.00 0.00 C ATOM 205 N7 G A 7 -4.686 7.344 -2.667 1.00 0.00 N ATOM 206 C5 G A 7 -4.556 8.243 -1.605 1.00 0.00 C ATOM 207 C6 G A 7 -5.127 8.205 -0.305 1.00 0.00 C ATOM 208 O6 G A 7 -5.871 7.353 0.176 1.00 0.00 O ATOM 209 N1 G A 7 -4.744 9.305 0.452 1.00 0.00 N ATOM 210 C2 G A 7 -3.914 10.320 0.018 1.00 0.00 C ATOM 211 N2 G A 7 -3.662 11.293 0.893 1.00 0.00 N ATOM 212 N3 G A 7 -3.373 10.364 -1.204 1.00 0.00 N ATOM 213 C4 G A 7 -3.733 9.301 -1.960 1.00 0.00 C ATOM 0 H5' G A 7 1.095 11.180 -2.487 1.00 0.00 H new ATOM 0 H5'' G A 7 0.660 12.772 -3.075 1.00 0.00 H new ATOM 0 H4' G A 7 0.216 10.995 -4.699 1.00 0.00 H new ATOM 0 H3' G A 7 -1.610 13.086 -3.938 1.00 0.00 H new ATOM 0 H2' G A 7 -3.430 11.662 -3.218 1.00 0.00 H new ATOM 0 HO2' G A 7 -3.443 11.926 -5.953 1.00 0.00 H new ATOM 0 H1' G A 7 -2.434 9.443 -5.063 1.00 0.00 H new ATOM 0 H8 G A 7 -3.826 7.447 -4.544 1.00 0.00 H new ATOM 0 H1 G A 7 -5.104 9.368 1.404 1.00 0.00 H new ATOM 0 H21 G A 7 -3.056 12.070 0.631 1.00 0.00 H new ATOM 0 H22 G A 7 -4.075 11.260 1.825 1.00 0.00 H new ATOM 225 P A A 8 -0.503 13.345 -6.449 1.00 0.00 P ATOM 226 OP1 A A 8 0.616 13.551 -5.502 1.00 0.00 O ATOM 227 OP2 A A 8 -1.317 14.500 -6.892 1.00 0.00 O ATOM 228 O5' A A 8 0.075 12.605 -7.758 1.00 0.00 O ATOM 229 C5' A A 8 -0.679 11.576 -8.406 1.00 0.00 C ATOM 230 C4' A A 8 0.214 10.692 -9.277 1.00 0.00 C ATOM 231 O4' A A 8 1.606 10.969 -9.041 1.00 0.00 O ATOM 232 C3' A A 8 0.034 9.216 -8.932 1.00 0.00 C ATOM 233 O3' A A 8 0.417 8.442 -10.077 1.00 0.00 O ATOM 234 C2' A A 8 1.080 9.013 -7.862 1.00 0.00 C ATOM 235 O2' A A 8 1.412 7.630 -7.697 1.00 0.00 O ATOM 236 C1' A A 8 2.227 9.816 -8.450 1.00 0.00 C ATOM 237 N9 A A 8 3.211 10.195 -7.419 1.00 0.00 N ATOM 238 C8 A A 8 3.017 10.742 -6.196 1.00 0.00 C ATOM 239 N7 A A 8 4.060 10.964 -5.469 1.00 0.00 N ATOM 240 C5 A A 8 5.085 10.514 -6.306 1.00 0.00 C ATOM 241 C6 A A 8 6.474 10.457 -6.153 1.00 0.00 C ATOM 242 N6 A A 8 7.103 10.875 -5.055 1.00 0.00 N ATOM 243 N1 A A 8 7.189 9.953 -7.175 1.00 0.00 N ATOM 244 C2 A A 8 6.576 9.530 -8.283 1.00 0.00 C ATOM 245 N3 A A 8 5.271 9.537 -8.531 1.00 0.00 N ATOM 246 C4 A A 8 4.577 10.045 -7.494 1.00 0.00 C ATOM 0 H5' A A 8 -1.458 12.027 -9.021 1.00 0.00 H new ATOM 0 H5'' A A 8 -1.180 10.963 -7.656 1.00 0.00 H new ATOM 0 H4' A A 8 -0.071 10.903 -10.308 1.00 0.00 H new ATOM 0 H3' A A 8 -0.978 8.941 -8.635 1.00 0.00 H new ATOM 0 H2' A A 8 0.779 9.322 -6.861 1.00 0.00 H new ATOM 0 HO2' A A 8 1.711 7.473 -6.777 1.00 0.00 H new ATOM 0 H1' A A 8 2.792 9.240 -9.183 1.00 0.00 H new ATOM 0 H8 A A 8 2.026 10.984 -5.842 1.00 0.00 H new ATOM 0 H61 A A 8 8.119 10.811 -4.994 1.00 0.00 H new ATOM 0 H62 A A 8 6.568 11.259 -4.276 1.00 0.00 H new ATOM 0 H2 A A 8 7.211 9.139 -9.064 1.00 0.00 H new ATOM 258 P A A 9 -0.282 7.027 -10.396 1.00 0.00 P ATOM 259 OP1 A A 9 -1.017 7.152 -11.673 1.00 0.00 O ATOM 260 OP2 A A 9 -0.987 6.573 -9.177 1.00 0.00 O ATOM 261 O5' A A 9 0.986 6.058 -10.636 1.00 0.00 O ATOM 262 C5' A A 9 1.605 5.392 -9.531 1.00 0.00 C ATOM 263 C4' A A 9 3.089 5.745 -9.416 1.00 0.00 C ATOM 264 O4' A A 9 3.244 6.933 -8.628 1.00 0.00 O ATOM 265 C3' A A 9 3.878 4.641 -8.704 1.00 0.00 C ATOM 266 O3' A A 9 4.780 4.043 -9.634 1.00 0.00 O ATOM 267 C2' A A 9 4.752 5.367 -7.690 1.00 0.00 C ATOM 268 O2' A A 9 6.077 5.568 -8.195 1.00 0.00 O ATOM 269 C1' A A 9 4.046 6.685 -7.466 1.00 0.00 C ATOM 270 N9 A A 9 3.250 6.626 -6.219 1.00 0.00 N ATOM 271 C8 A A 9 2.124 5.928 -5.921 1.00 0.00 C ATOM 272 N7 A A 9 1.669 6.013 -4.716 1.00 0.00 N ATOM 273 C5 A A 9 2.598 6.872 -4.126 1.00 0.00 C ATOM 274 C6 A A 9 2.718 7.393 -2.834 1.00 0.00 C ATOM 275 N6 A A 9 1.861 7.116 -1.852 1.00 0.00 N ATOM 276 N1 A A 9 3.757 8.211 -2.592 1.00 0.00 N ATOM 277 C2 A A 9 4.626 8.500 -3.560 1.00 0.00 C ATOM 278 N3 A A 9 4.607 8.065 -4.814 1.00 0.00 N ATOM 279 C4 A A 9 3.560 7.249 -5.033 1.00 0.00 C ATOM 0 H5' A A 9 1.496 4.314 -9.648 1.00 0.00 H new ATOM 0 H5'' A A 9 1.093 5.666 -8.608 1.00 0.00 H new ATOM 0 H4' A A 9 3.464 5.878 -10.431 1.00 0.00 H new ATOM 0 H3' A A 9 3.214 3.893 -8.271 1.00 0.00 H new ATOM 0 H2' A A 9 4.875 4.800 -6.768 1.00 0.00 H new ATOM 0 HO2' A A 9 6.160 5.142 -9.074 1.00 0.00 H new ATOM 0 H1' A A 9 4.748 7.508 -7.336 1.00 0.00 H new ATOM 0 H8 A A 9 1.627 5.324 -6.665 1.00 0.00 H new ATOM 0 H61 A A 9 1.996 7.524 -0.927 1.00 0.00 H new ATOM 0 H62 A A 9 1.070 6.496 -2.025 1.00 0.00 H new ATOM 0 H2 A A 9 5.437 9.162 -3.295 1.00 0.00 H new ATOM 291 P G A 10 5.364 2.569 -9.353 1.00 0.00 P ATOM 292 OP1 G A 10 6.602 2.402 -10.148 1.00 0.00 O ATOM 293 OP2 G A 10 4.257 1.597 -9.500 1.00 0.00 O ATOM 294 O5' G A 10 5.771 2.640 -7.791 1.00 0.00 O ATOM 295 C5' G A 10 7.147 2.687 -7.398 1.00 0.00 C ATOM 296 C4' G A 10 7.314 3.014 -5.912 1.00 0.00 C ATOM 297 O4' G A 10 6.389 4.018 -5.481 1.00 0.00 O ATOM 298 C3' G A 10 7.024 1.806 -5.038 1.00 0.00 C ATOM 299 O3' G A 10 8.241 1.080 -4.844 1.00 0.00 O ATOM 300 C2' G A 10 6.629 2.442 -3.718 1.00 0.00 C ATOM 301 O2' G A 10 7.778 2.776 -2.930 1.00 0.00 O ATOM 302 C1' G A 10 5.883 3.694 -4.173 1.00 0.00 C ATOM 303 N9 G A 10 4.427 3.448 -4.207 1.00 0.00 N ATOM 304 C8 G A 10 3.647 3.039 -5.236 1.00 0.00 C ATOM 305 N7 G A 10 2.387 2.879 -5.006 1.00 0.00 N ATOM 306 C5 G A 10 2.297 3.223 -3.655 1.00 0.00 C ATOM 307 C6 G A 10 1.164 3.251 -2.797 1.00 0.00 C ATOM 308 O6 G A 10 -0.004 2.976 -3.064 1.00 0.00 O ATOM 309 N1 G A 10 1.510 3.652 -1.515 1.00 0.00 N ATOM 310 C2 G A 10 2.782 3.986 -1.100 1.00 0.00 C ATOM 311 N2 G A 10 2.906 4.346 0.178 1.00 0.00 N ATOM 312 N3 G A 10 3.854 3.961 -1.899 1.00 0.00 N ATOM 313 C4 G A 10 3.544 3.573 -3.157 1.00 0.00 C ATOM 0 H5' G A 10 7.668 3.437 -7.994 1.00 0.00 H new ATOM 0 H5'' G A 10 7.617 1.727 -7.612 1.00 0.00 H new ATOM 0 H4' G A 10 8.346 3.349 -5.809 1.00 0.00 H new ATOM 0 H3' G A 10 6.276 1.129 -5.450 1.00 0.00 H new ATOM 0 H2' G A 10 6.036 1.787 -3.080 1.00 0.00 H new ATOM 0 HO2' G A 10 8.590 2.487 -3.397 1.00 0.00 H new ATOM 0 H1' G A 10 6.042 4.523 -3.483 1.00 0.00 H new ATOM 0 H8 G A 10 4.065 2.853 -6.215 1.00 0.00 H new ATOM 0 H1 G A 10 0.763 3.704 -0.823 1.00 0.00 H new ATOM 0 H21 G A 10 3.820 4.605 0.548 1.00 0.00 H new ATOM 0 H22 G A 10 2.086 4.362 0.785 1.00 0.00 H new ATOM 325 P A A 11 8.212 -0.506 -4.562 1.00 0.00 P ATOM 326 OP1 A A 11 9.608 -0.986 -4.463 1.00 0.00 O ATOM 327 OP2 A A 11 7.285 -1.132 -5.531 1.00 0.00 O ATOM 328 O5' A A 11 7.544 -0.594 -3.099 1.00 0.00 O ATOM 329 C5' A A 11 8.246 -0.109 -1.950 1.00 0.00 C ATOM 330 C4' A A 11 7.307 0.097 -0.765 1.00 0.00 C ATOM 331 O4' A A 11 6.145 0.822 -1.140 1.00 0.00 O ATOM 332 C3' A A 11 6.785 -1.227 -0.237 1.00 0.00 C ATOM 333 O3' A A 11 7.653 -1.671 0.810 1.00 0.00 O ATOM 334 C2' A A 11 5.434 -0.869 0.382 1.00 0.00 C ATOM 335 O2' A A 11 5.527 -0.770 1.808 1.00 0.00 O ATOM 336 C1' A A 11 5.081 0.484 -0.245 1.00 0.00 C ATOM 337 N9 A A 11 3.791 0.413 -0.955 1.00 0.00 N ATOM 338 C8 A A 11 3.530 0.346 -2.283 1.00 0.00 C ATOM 339 N7 A A 11 2.292 0.292 -2.647 1.00 0.00 N ATOM 340 C5 A A 11 1.636 0.328 -1.412 1.00 0.00 C ATOM 341 C6 A A 11 0.283 0.304 -1.056 1.00 0.00 C ATOM 342 N6 A A 11 -0.707 0.235 -1.948 1.00 0.00 N ATOM 343 N1 A A 11 -0.013 0.353 0.255 1.00 0.00 N ATOM 344 C2 A A 11 0.962 0.422 1.164 1.00 0.00 C ATOM 345 N3 A A 11 2.270 0.451 0.939 1.00 0.00 N ATOM 346 C4 A A 11 2.541 0.401 -0.380 1.00 0.00 C ATOM 0 H5' A A 11 8.738 0.833 -2.194 1.00 0.00 H new ATOM 0 H5'' A A 11 9.029 -0.816 -1.676 1.00 0.00 H new ATOM 0 H4' A A 11 7.895 0.632 -0.019 1.00 0.00 H new ATOM 0 H3' A A 11 6.720 -2.000 -1.003 1.00 0.00 H new ATOM 0 H2' A A 11 4.675 -1.627 0.190 1.00 0.00 H new ATOM 0 HO2' A A 11 4.697 -1.098 2.214 1.00 0.00 H new ATOM 0 H1' A A 11 4.972 1.249 0.524 1.00 0.00 H new ATOM 0 H8 A A 11 4.328 0.338 -3.011 1.00 0.00 H new ATOM 0 H61 A A 11 -1.677 0.220 -1.633 1.00 0.00 H new ATOM 0 H62 A A 11 -0.494 0.197 -2.945 1.00 0.00 H new ATOM 0 H2 A A 11 0.652 0.458 2.198 1.00 0.00 H new ATOM 358 P A A 12 7.722 -3.231 1.206 1.00 0.00 P ATOM 359 OP1 A A 12 9.096 -3.531 1.669 1.00 0.00 O ATOM 360 OP2 A A 12 7.128 -4.017 0.102 1.00 0.00 O ATOM 361 O5' A A 12 6.735 -3.318 2.476 1.00 0.00 O ATOM 362 C5' A A 12 7.233 -3.103 3.799 1.00 0.00 C ATOM 363 C4' A A 12 6.120 -3.171 4.842 1.00 0.00 C ATOM 364 O4' A A 12 5.096 -2.205 4.579 1.00 0.00 O ATOM 365 C3' A A 12 5.421 -4.521 4.817 1.00 0.00 C ATOM 366 O3' A A 12 6.059 -5.384 5.764 1.00 0.00 O ATOM 367 C2' A A 12 4.033 -4.190 5.329 1.00 0.00 C ATOM 368 O2' A A 12 3.993 -4.173 6.761 1.00 0.00 O ATOM 369 C1' A A 12 3.798 -2.802 4.746 1.00 0.00 C ATOM 370 N9 A A 12 3.083 -2.887 3.459 1.00 0.00 N ATOM 371 C8 A A 12 3.568 -2.838 2.194 1.00 0.00 C ATOM 372 N7 A A 12 2.720 -2.929 1.226 1.00 0.00 N ATOM 373 C5 A A 12 1.514 -3.055 1.920 1.00 0.00 C ATOM 374 C6 A A 12 0.188 -3.195 1.498 1.00 0.00 C ATOM 375 N6 A A 12 -0.169 -3.232 0.214 1.00 0.00 N ATOM 376 N1 A A 12 -0.757 -3.295 2.448 1.00 0.00 N ATOM 377 C2 A A 12 -0.424 -3.259 3.740 1.00 0.00 C ATOM 378 N3 A A 12 0.797 -3.130 4.250 1.00 0.00 N ATOM 379 C4 A A 12 1.726 -3.032 3.280 1.00 0.00 C ATOM 0 H5' A A 12 7.720 -2.129 3.850 1.00 0.00 H new ATOM 0 H5'' A A 12 7.992 -3.851 4.028 1.00 0.00 H new ATOM 0 H4' A A 12 6.604 -2.988 5.801 1.00 0.00 H new ATOM 0 H3' A A 12 5.431 -5.005 3.840 1.00 0.00 H new ATOM 0 H2' A A 12 3.275 -4.918 5.040 1.00 0.00 H new ATOM 0 HO2' A A 12 4.735 -4.706 7.115 1.00 0.00 H new ATOM 0 H1' A A 12 3.175 -2.199 5.406 1.00 0.00 H new ATOM 0 H8 A A 12 4.625 -2.727 2.004 1.00 0.00 H new ATOM 0 H61 A A 12 -1.152 -3.336 -0.039 1.00 0.00 H new ATOM 0 H62 A A 12 0.540 -3.157 -0.515 1.00 0.00 H new ATOM 0 H2 A A 12 -1.235 -3.344 4.448 1.00 0.00 H new ATOM 391 P C A 13 6.129 -6.971 5.499 1.00 0.00 P ATOM 392 OP1 C A 13 6.732 -7.614 6.688 1.00 0.00 O ATOM 393 OP2 C A 13 6.723 -7.191 4.161 1.00 0.00 O ATOM 394 O5' C A 13 4.575 -7.388 5.434 1.00 0.00 O ATOM 395 C5' C A 13 3.880 -7.776 6.622 1.00 0.00 C ATOM 396 C4' C A 13 2.403 -8.049 6.348 1.00 0.00 C ATOM 397 O4' C A 13 1.789 -6.959 5.669 1.00 0.00 O ATOM 398 C3' C A 13 2.225 -9.240 5.425 1.00 0.00 C ATOM 399 O3' C A 13 2.114 -10.421 6.224 1.00 0.00 O ATOM 400 C2' C A 13 0.877 -8.976 4.773 1.00 0.00 C ATOM 401 O2' C A 13 -0.189 -9.578 5.515 1.00 0.00 O ATOM 402 C1' C A 13 0.771 -7.449 4.782 1.00 0.00 C ATOM 403 N1 C A 13 0.946 -6.907 3.421 1.00 0.00 N ATOM 404 C2 C A 13 -0.184 -6.811 2.626 1.00 0.00 C ATOM 405 O2 C A 13 -1.275 -7.167 3.063 1.00 0.00 O ATOM 406 N3 C A 13 -0.047 -6.316 1.367 1.00 0.00 N ATOM 407 C4 C A 13 1.151 -5.934 0.905 1.00 0.00 C ATOM 408 N4 C A 13 1.247 -5.453 -0.335 1.00 0.00 N ATOM 409 C5 C A 13 2.321 -6.032 1.721 1.00 0.00 C ATOM 410 C6 C A 13 2.174 -6.522 2.967 1.00 0.00 C ATOM 0 H5' C A 13 3.972 -6.989 7.371 1.00 0.00 H new ATOM 0 H5'' C A 13 4.344 -8.670 7.040 1.00 0.00 H new ATOM 0 H4' C A 13 1.951 -8.221 7.325 1.00 0.00 H new ATOM 0 H3' C A 13 3.041 -9.368 4.714 1.00 0.00 H new ATOM 0 H2' C A 13 0.801 -9.400 3.772 1.00 0.00 H new ATOM 0 HO2' C A 13 -0.586 -10.302 4.988 1.00 0.00 H new ATOM 0 H1' C A 13 -0.214 -7.131 5.124 1.00 0.00 H new ATOM 0 H41 C A 13 2.153 -5.159 -0.699 1.00 0.00 H new ATOM 0 H42 C A 13 0.414 -5.380 -0.919 1.00 0.00 H new ATOM 0 H5 C A 13 3.288 -5.724 1.352 1.00 0.00 H new ATOM 0 H6 C A 13 3.035 -6.611 3.612 1.00 0.00 H new ATOM 422 P C A 14 2.568 -11.850 5.635 1.00 0.00 P ATOM 423 OP1 C A 14 2.695 -12.798 6.765 1.00 0.00 O ATOM 424 OP2 C A 14 3.712 -11.632 4.723 1.00 0.00 O ATOM 425 O5' C A 14 1.293 -12.287 4.752 1.00 0.00 O ATOM 426 C5' C A 14 0.208 -13.003 5.348 1.00 0.00 C ATOM 427 C4' C A 14 -1.028 -13.000 4.454 1.00 0.00 C ATOM 428 O4' C A 14 -1.219 -11.731 3.834 1.00 0.00 O ATOM 429 C3' C A 14 -0.881 -13.989 3.313 1.00 0.00 C ATOM 430 O3' C A 14 -1.277 -15.308 3.707 1.00 0.00 O ATOM 431 C2' C A 14 -1.819 -13.416 2.262 1.00 0.00 C ATOM 432 O2' C A 14 -3.150 -13.920 2.418 1.00 0.00 O ATOM 433 C1' C A 14 -1.761 -11.911 2.519 1.00 0.00 C ATOM 434 N1 C A 14 -0.928 -11.234 1.506 1.00 0.00 N ATOM 435 C2 C A 14 -1.539 -10.878 0.315 1.00 0.00 C ATOM 436 O2 C A 14 -2.725 -11.139 0.130 1.00 0.00 O ATOM 437 N3 C A 14 -0.791 -10.244 -0.629 1.00 0.00 N ATOM 438 C4 C A 14 0.502 -9.968 -0.413 1.00 0.00 C ATOM 439 N4 C A 14 1.204 -9.343 -1.359 1.00 0.00 N ATOM 440 C5 C A 14 1.136 -10.333 0.817 1.00 0.00 C ATOM 441 C6 C A 14 0.387 -10.961 1.745 1.00 0.00 C ATOM 0 H5' C A 14 -0.038 -12.555 6.311 1.00 0.00 H new ATOM 0 H5'' C A 14 0.514 -14.031 5.543 1.00 0.00 H new ATOM 0 H4' C A 14 -1.864 -13.256 5.104 1.00 0.00 H new ATOM 0 H3' C A 14 0.146 -14.101 2.965 1.00 0.00 H new ATOM 0 H2' C A 14 -1.531 -13.685 1.246 1.00 0.00 H new ATOM 0 HO2' C A 14 -3.136 -14.706 3.004 1.00 0.00 H new ATOM 0 HO3' C A 14 -1.172 -15.921 2.950 1.00 0.00 H new ATOM 0 H1' C A 14 -2.756 -11.470 2.450 1.00 0.00 H new ATOM 0 H41 C A 14 2.189 -9.128 -1.205 1.00 0.00 H new ATOM 0 H42 C A 14 0.756 -9.080 -2.237 1.00 0.00 H new ATOM 0 H5 C A 14 2.178 -10.113 0.995 1.00 0.00 H new ATOM 0 H6 C A 14 0.832 -11.251 2.686 1.00 0.00 H new TER 454 C A 14