USER MOD reduce.3.24.130724 H: found=0, std=0, add=155, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 155 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 13 G O2' : rot -6:sc= -3.97! USER MOD Single : A 13 G O5' : rot 45:sc= -0.847! USER MOD Single : A 14 G O2' : rot -20:sc= 0.0545 USER MOD Single : A 15 C O2' : rot -6:sc= -1.47! USER MOD Single : A 16 A O2' : rot -2:sc= -5.22! USER MOD Single : A 17 C O2' : rot -2:sc= -3.39! USER MOD Single : A 18 U O2' : rot 174:sc= -6.52! USER MOD Single : A 19 G O2' : rot -18:sc= 0.188 USER MOD Single : A 19 G O3' : rot 180:sc= 0.18 USER MOD Single : B 59 C O2' : rot -8:sc= -2.24! USER MOD Single : B 59 C O5' : rot 45:sc= -2.97! USER MOD Single : B 60 A O2' : rot -16:sc= 0.189 USER MOD Single : B 61 G O2' : rot -152:sc= -1.87! USER MOD Single : B 62 U O2' : rot -16:sc= -2.18! USER MOD Single : B 63 G O2' : rot -5:sc= -0.308 USER MOD Single : B 64 U O2' : rot -7:sc= 0.129 USER MOD Single : B 65 C O2' : rot -20:sc= 0.148 USER MOD Single : B 65 C O3' : rot 180:sc= 0.168 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 13 4.848 -7.035 -4.887 1.00 0.00 O ATOM 2 C5' G A 13 5.276 -7.810 -6.009 1.00 0.00 C ATOM 3 C4' G A 13 4.134 -8.641 -6.586 1.00 0.00 C ATOM 4 O4' G A 13 3.828 -9.762 -5.741 1.00 0.00 O ATOM 5 C3' G A 13 2.851 -7.819 -6.674 1.00 0.00 C ATOM 6 O3' G A 13 2.683 -7.369 -8.019 1.00 0.00 O ATOM 7 C2' G A 13 1.771 -8.838 -6.372 1.00 0.00 C ATOM 8 O2' G A 13 1.423 -9.602 -7.533 1.00 0.00 O ATOM 9 C1' G A 13 2.458 -9.691 -5.326 1.00 0.00 C ATOM 10 N9 G A 13 2.338 -9.075 -3.993 1.00 0.00 N ATOM 11 C8 G A 13 3.031 -8.040 -3.456 1.00 0.00 C ATOM 12 N7 G A 13 2.720 -7.670 -2.260 1.00 0.00 N ATOM 13 C5 G A 13 1.690 -8.560 -1.944 1.00 0.00 C ATOM 14 C6 G A 13 0.918 -8.673 -0.758 1.00 0.00 C ATOM 15 O6 G A 13 0.991 -7.999 0.269 1.00 0.00 O ATOM 16 N1 G A 13 -0.014 -9.698 -0.854 1.00 0.00 N ATOM 17 C2 G A 13 -0.186 -10.517 -1.952 1.00 0.00 C ATOM 18 N2 G A 13 -1.136 -11.447 -1.851 1.00 0.00 N ATOM 19 N3 G A 13 0.536 -10.418 -3.072 1.00 0.00 N ATOM 20 C4 G A 13 1.451 -9.425 -3.001 1.00 0.00 C ATOM 0 H5' G A 13 6.090 -8.469 -5.707 1.00 0.00 H new ATOM 0 H5'' G A 13 5.671 -7.148 -6.780 1.00 0.00 H new ATOM 0 H4' G A 13 4.465 -8.970 -7.571 1.00 0.00 H new ATOM 0 H3' G A 13 2.841 -6.953 -6.012 1.00 0.00 H new ATOM 0 H2' G A 13 0.826 -8.404 -6.046 1.00 0.00 H new ATOM 0 HO2' G A 13 1.890 -9.240 -8.315 1.00 0.00 H new ATOM 0 HO5' G A 13 4.302 -7.592 -4.293 1.00 0.00 H new ATOM 0 H1' G A 13 2.011 -10.682 -5.246 1.00 0.00 H new ATOM 0 H8 G A 13 3.814 -7.544 -4.010 1.00 0.00 H new ATOM 0 H1 G A 13 -0.620 -9.859 -0.049 1.00 0.00 H new ATOM 0 H21 G A 13 -1.312 -12.083 -2.629 1.00 0.00 H new ATOM 0 H22 G A 13 -1.687 -11.522 -0.996 1.00 0.00 H new ATOM 33 P G A 14 1.752 -6.093 -8.331 1.00 0.00 P ATOM 34 OP1 G A 14 1.717 -5.894 -9.797 1.00 0.00 O ATOM 35 OP2 G A 14 2.171 -4.984 -7.445 1.00 0.00 O ATOM 36 O5' G A 14 0.298 -6.597 -7.856 1.00 0.00 O ATOM 37 C5' G A 14 -0.361 -7.656 -8.551 1.00 0.00 C ATOM 38 C4' G A 14 -1.818 -7.800 -8.120 1.00 0.00 C ATOM 39 O4' G A 14 -1.954 -8.533 -6.889 1.00 0.00 O ATOM 40 C3' G A 14 -2.450 -6.453 -7.827 1.00 0.00 C ATOM 41 O3' G A 14 -2.947 -5.875 -9.037 1.00 0.00 O ATOM 42 C2' G A 14 -3.622 -6.870 -6.967 1.00 0.00 C ATOM 43 O2' G A 14 -4.667 -7.459 -7.749 1.00 0.00 O ATOM 44 C1' G A 14 -2.953 -7.894 -6.068 1.00 0.00 C ATOM 45 N9 G A 14 -2.347 -7.256 -4.890 1.00 0.00 N ATOM 46 C8 G A 14 -1.113 -6.719 -4.722 1.00 0.00 C ATOM 47 N7 G A 14 -0.815 -6.268 -3.551 1.00 0.00 N ATOM 48 C5 G A 14 -1.991 -6.527 -2.841 1.00 0.00 C ATOM 49 C6 G A 14 -2.310 -6.266 -1.486 1.00 0.00 C ATOM 50 O6 G A 14 -1.600 -5.749 -0.629 1.00 0.00 O ATOM 51 N1 G A 14 -3.602 -6.681 -1.176 1.00 0.00 N ATOM 52 C2 G A 14 -4.478 -7.274 -2.057 1.00 0.00 C ATOM 53 N2 G A 14 -5.677 -7.590 -1.571 1.00 0.00 N ATOM 54 N3 G A 14 -4.184 -7.526 -3.334 1.00 0.00 N ATOM 55 C4 G A 14 -2.932 -7.129 -3.657 1.00 0.00 C ATOM 0 H5' G A 14 0.166 -8.593 -8.369 1.00 0.00 H new ATOM 0 H5'' G A 14 -0.317 -7.469 -9.624 1.00 0.00 H new ATOM 0 H4' G A 14 -2.299 -8.314 -8.952 1.00 0.00 H new ATOM 0 H3' G A 14 -1.775 -5.726 -7.377 1.00 0.00 H new ATOM 0 H2' G A 14 -4.113 -6.052 -6.439 1.00 0.00 H new ATOM 0 HO2' G A 14 -4.561 -7.196 -8.687 1.00 0.00 H new ATOM 0 H1' G A 14 -3.672 -8.614 -5.678 1.00 0.00 H new ATOM 0 H8 G A 14 -0.407 -6.671 -5.538 1.00 0.00 H new ATOM 0 H1 G A 14 -3.925 -6.534 -0.220 1.00 0.00 H new ATOM 0 H21 G A 14 -6.371 -8.032 -2.174 1.00 0.00 H new ATOM 0 H22 G A 14 -5.901 -7.390 -0.596 1.00 0.00 H new ATOM 67 P C A 15 -3.037 -4.272 -9.166 1.00 0.00 P ATOM 68 OP1 C A 15 -3.699 -3.943 -10.449 1.00 0.00 O ATOM 69 OP2 C A 15 -1.710 -3.701 -8.847 1.00 0.00 O ATOM 70 O5' C A 15 -4.047 -3.910 -7.967 1.00 0.00 O ATOM 71 C5' C A 15 -5.425 -4.258 -8.068 1.00 0.00 C ATOM 72 C4' C A 15 -6.130 -4.193 -6.717 1.00 0.00 C ATOM 73 O4' C A 15 -5.496 -5.035 -5.751 1.00 0.00 O ATOM 74 C3' C A 15 -6.063 -2.820 -6.084 1.00 0.00 C ATOM 75 O3' C A 15 -7.079 -1.982 -6.637 1.00 0.00 O ATOM 76 C2' C A 15 -6.443 -3.157 -4.659 1.00 0.00 C ATOM 77 O2' C A 15 -7.854 -3.362 -4.525 1.00 0.00 O ATOM 78 C1' C A 15 -5.665 -4.450 -4.444 1.00 0.00 C ATOM 79 N1 C A 15 -4.373 -4.168 -3.788 1.00 0.00 N ATOM 80 C2 C A 15 -4.400 -3.932 -2.424 1.00 0.00 C ATOM 81 O2 C A 15 -5.471 -3.929 -1.822 1.00 0.00 O ATOM 82 N3 C A 15 -3.224 -3.692 -1.786 1.00 0.00 N ATOM 83 C4 C A 15 -2.066 -3.683 -2.459 1.00 0.00 C ATOM 84 N4 C A 15 -0.933 -3.451 -1.799 1.00 0.00 N ATOM 85 C5 C A 15 -2.033 -3.922 -3.868 1.00 0.00 C ATOM 86 C6 C A 15 -3.202 -4.154 -4.490 1.00 0.00 C ATOM 0 H5' C A 15 -5.516 -5.264 -8.477 1.00 0.00 H new ATOM 0 H5'' C A 15 -5.919 -3.584 -8.768 1.00 0.00 H new ATOM 0 H4' C A 15 -7.154 -4.490 -6.941 1.00 0.00 H new ATOM 0 H3' C A 15 -5.111 -2.306 -6.213 1.00 0.00 H new ATOM 0 H2' C A 15 -6.215 -2.373 -3.937 1.00 0.00 H new ATOM 0 HO2' C A 15 -8.297 -3.154 -5.374 1.00 0.00 H new ATOM 0 H1' C A 15 -6.191 -5.141 -3.786 1.00 0.00 H new ATOM 0 H41 C A 15 -0.044 -3.441 -2.299 1.00 0.00 H new ATOM 0 H42 C A 15 -0.954 -3.283 -0.793 1.00 0.00 H new ATOM 0 H5 C A 15 -1.101 -3.916 -4.414 1.00 0.00 H new ATOM 0 H6 C A 15 -3.215 -4.331 -5.555 1.00 0.00 H new ATOM 98 P A A 16 -6.969 -0.380 -6.489 1.00 0.00 P ATOM 99 OP1 A A 16 -8.186 0.223 -7.076 1.00 0.00 O ATOM 100 OP2 A A 16 -5.633 0.039 -6.968 1.00 0.00 O ATOM 101 O5' A A 16 -7.022 -0.169 -4.891 1.00 0.00 O ATOM 102 C5' A A 16 -8.242 -0.379 -4.174 1.00 0.00 C ATOM 103 C4' A A 16 -8.056 -0.232 -2.664 1.00 0.00 C ATOM 104 O4' A A 16 -7.091 -1.154 -2.146 1.00 0.00 O ATOM 105 C3' A A 16 -7.506 1.131 -2.289 1.00 0.00 C ATOM 106 O3' A A 16 -8.586 2.058 -2.166 1.00 0.00 O ATOM 107 C2' A A 16 -6.948 0.862 -0.908 1.00 0.00 C ATOM 108 O2' A A 16 -7.979 0.866 0.087 1.00 0.00 O ATOM 109 C1' A A 16 -6.351 -0.521 -1.081 1.00 0.00 C ATOM 110 N9 A A 16 -4.914 -0.436 -1.399 1.00 0.00 N ATOM 111 C8 A A 16 -4.269 -0.647 -2.563 1.00 0.00 C ATOM 112 N7 A A 16 -2.982 -0.614 -2.553 1.00 0.00 N ATOM 113 C5 A A 16 -2.726 -0.334 -1.213 1.00 0.00 C ATOM 114 C6 A A 16 -1.544 -0.156 -0.494 1.00 0.00 C ATOM 115 N6 A A 16 -0.335 -0.292 -1.047 1.00 0.00 N ATOM 116 N1 A A 16 -1.660 0.120 0.819 1.00 0.00 N ATOM 117 C2 A A 16 -2.871 0.208 1.382 1.00 0.00 C ATOM 118 N3 A A 16 -4.043 0.051 0.793 1.00 0.00 N ATOM 119 C4 A A 16 -3.900 -0.219 -0.508 1.00 0.00 C ATOM 0 H5' A A 16 -8.625 -1.375 -4.396 1.00 0.00 H new ATOM 0 H5'' A A 16 -8.991 0.335 -4.517 1.00 0.00 H new ATOM 0 H4' A A 16 -9.050 -0.404 -2.252 1.00 0.00 H new ATOM 0 H3' A A 16 -6.792 1.538 -3.005 1.00 0.00 H new ATOM 0 H2' A A 16 -6.235 1.613 -0.567 1.00 0.00 H new ATOM 0 HO2' A A 16 -8.838 1.081 -0.333 1.00 0.00 H new ATOM 0 H1' A A 16 -6.426 -1.102 -0.162 1.00 0.00 H new ATOM 0 H8 A A 16 -4.814 -0.838 -3.475 1.00 0.00 H new ATOM 0 H61 A A 16 0.503 -0.152 -0.482 1.00 0.00 H new ATOM 0 H62 A A 16 -0.250 -0.536 -2.034 1.00 0.00 H new ATOM 0 H2 A A 16 -2.893 0.433 2.438 1.00 0.00 H new ATOM 131 P C A 17 -8.290 3.639 -2.196 1.00 0.00 P ATOM 132 OP1 C A 17 -9.566 4.355 -1.976 1.00 0.00 O ATOM 133 OP2 C A 17 -7.473 3.937 -3.394 1.00 0.00 O ATOM 134 O5' C A 17 -7.365 3.839 -0.892 1.00 0.00 O ATOM 135 C5' C A 17 -7.871 3.517 0.405 1.00 0.00 C ATOM 136 C4' C A 17 -6.802 3.647 1.488 1.00 0.00 C ATOM 137 O4' C A 17 -5.758 2.688 1.347 1.00 0.00 O ATOM 138 C3' C A 17 -6.102 4.985 1.425 1.00 0.00 C ATOM 139 O3' C A 17 -6.879 5.938 2.155 1.00 0.00 O ATOM 140 C2' C A 17 -4.826 4.709 2.195 1.00 0.00 C ATOM 141 O2' C A 17 -5.027 4.845 3.607 1.00 0.00 O ATOM 142 C1' C A 17 -4.522 3.264 1.812 1.00 0.00 C ATOM 143 N1 C A 17 -3.501 3.201 0.762 1.00 0.00 N ATOM 144 C2 C A 17 -2.177 3.174 1.154 1.00 0.00 C ATOM 145 O2 C A 17 -1.892 3.233 2.347 1.00 0.00 O ATOM 146 N3 C A 17 -1.222 3.086 0.186 1.00 0.00 N ATOM 147 C4 C A 17 -1.566 3.029 -1.110 1.00 0.00 C ATOM 148 N4 C A 17 -0.617 2.928 -2.039 1.00 0.00 N ATOM 149 C5 C A 17 -2.938 3.063 -1.502 1.00 0.00 C ATOM 150 C6 C A 17 -3.857 3.149 -0.544 1.00 0.00 C ATOM 0 H5' C A 17 -8.259 2.498 0.400 1.00 0.00 H new ATOM 0 H5'' C A 17 -8.707 4.175 0.641 1.00 0.00 H new ATOM 0 H4' C A 17 -7.347 3.507 2.422 1.00 0.00 H new ATOM 0 H3' C A 17 -5.945 5.367 0.416 1.00 0.00 H new ATOM 0 H2' C A 17 -4.017 5.401 1.961 1.00 0.00 H new ATOM 0 HO2' C A 17 -5.951 5.123 3.781 1.00 0.00 H new ATOM 0 H1' C A 17 -4.130 2.716 2.669 1.00 0.00 H new ATOM 0 H41 C A 17 -0.872 2.884 -3.026 1.00 0.00 H new ATOM 0 H42 C A 17 0.365 2.894 -1.764 1.00 0.00 H new ATOM 0 H5 C A 17 -3.221 3.020 -2.543 1.00 0.00 H new ATOM 0 H6 C A 17 -4.903 3.178 -0.812 1.00 0.00 H new ATOM 162 P U A 18 -6.833 7.498 1.763 1.00 0.00 P ATOM 163 OP1 U A 18 -7.677 8.242 2.725 1.00 0.00 O ATOM 164 OP2 U A 18 -7.086 7.618 0.311 1.00 0.00 O ATOM 165 O5' U A 18 -5.295 7.879 2.041 1.00 0.00 O ATOM 166 C5' U A 18 -4.726 7.718 3.343 1.00 0.00 C ATOM 167 C4' U A 18 -3.241 8.055 3.344 1.00 0.00 C ATOM 168 O4' U A 18 -2.472 7.024 2.730 1.00 0.00 O ATOM 169 C3' U A 18 -2.982 9.310 2.527 1.00 0.00 C ATOM 170 O3' U A 18 -2.770 10.401 3.426 1.00 0.00 O ATOM 171 C2' U A 18 -1.685 9.058 1.782 1.00 0.00 C ATOM 172 O2' U A 18 -0.638 9.908 2.251 1.00 0.00 O ATOM 173 C1' U A 18 -1.359 7.596 2.031 1.00 0.00 C ATOM 174 N1 U A 18 -1.126 6.919 0.749 1.00 0.00 N ATOM 175 C2 U A 18 0.183 6.777 0.335 1.00 0.00 C ATOM 176 O2 U A 18 1.127 7.180 1.008 1.00 0.00 O ATOM 177 N3 U A 18 0.369 6.158 -0.885 1.00 0.00 N ATOM 178 C4 U A 18 -0.629 5.671 -1.714 1.00 0.00 C ATOM 179 O4 U A 18 -0.343 5.136 -2.783 1.00 0.00 O ATOM 180 C5 U A 18 -1.970 5.862 -1.197 1.00 0.00 C ATOM 181 C6 U A 18 -2.172 6.473 -0.005 1.00 0.00 C ATOM 0 H5' U A 18 -4.868 6.691 3.680 1.00 0.00 H new ATOM 0 H5'' U A 18 -5.247 8.361 4.052 1.00 0.00 H new ATOM 0 H4' U A 18 -2.955 8.183 4.388 1.00 0.00 H new ATOM 0 H3' U A 18 -3.810 9.537 1.856 1.00 0.00 H new ATOM 0 H2' U A 18 -1.785 9.276 0.719 1.00 0.00 H new ATOM 0 HO2' U A 18 0.204 9.661 1.815 1.00 0.00 H new ATOM 0 H1' U A 18 -0.454 7.484 2.628 1.00 0.00 H new ATOM 0 H3 U A 18 1.331 6.049 -1.206 1.00 0.00 H new ATOM 0 H5 U A 18 -2.817 5.513 -1.769 1.00 0.00 H new ATOM 0 H6 U A 18 -3.181 6.610 0.356 1.00 0.00 H new ATOM 192 P G A 19 -2.681 11.911 2.873 1.00 0.00 P ATOM 193 OP1 G A 19 -2.961 12.836 3.992 1.00 0.00 O ATOM 194 OP2 G A 19 -3.469 11.997 1.622 1.00 0.00 O ATOM 195 O5' G A 19 -1.115 12.026 2.496 1.00 0.00 O ATOM 196 C5' G A 19 -0.137 12.050 3.542 1.00 0.00 C ATOM 197 C4' G A 19 1.288 11.830 3.029 1.00 0.00 C ATOM 198 O4' G A 19 1.465 10.533 2.471 1.00 0.00 O ATOM 199 C3' G A 19 1.648 12.767 1.897 1.00 0.00 C ATOM 200 O3' G A 19 1.967 14.080 2.375 1.00 0.00 O ATOM 201 C2' G A 19 2.868 12.063 1.316 1.00 0.00 C ATOM 202 O2' G A 19 4.067 12.433 2.009 1.00 0.00 O ATOM 203 C1' G A 19 2.539 10.585 1.519 1.00 0.00 C ATOM 204 N9 G A 19 2.157 9.969 0.238 1.00 0.00 N ATOM 205 C8 G A 19 0.929 9.687 -0.245 1.00 0.00 C ATOM 206 N7 G A 19 0.849 9.119 -1.399 1.00 0.00 N ATOM 207 C5 G A 19 2.195 9.005 -1.749 1.00 0.00 C ATOM 208 C6 G A 19 2.786 8.460 -2.918 1.00 0.00 C ATOM 209 O6 G A 19 2.228 7.958 -3.891 1.00 0.00 O ATOM 210 N1 G A 19 4.170 8.543 -2.874 1.00 0.00 N ATOM 211 C2 G A 19 4.903 9.084 -1.837 1.00 0.00 C ATOM 212 N2 G A 19 6.228 9.093 -1.993 1.00 0.00 N ATOM 213 N3 G A 19 4.355 9.597 -0.731 1.00 0.00 N ATOM 214 C4 G A 19 3.005 9.526 -0.752 1.00 0.00 C ATOM 0 H5' G A 19 -0.377 11.280 4.275 1.00 0.00 H new ATOM 0 H5'' G A 19 -0.188 13.008 4.059 1.00 0.00 H new ATOM 0 H4' G A 19 1.910 11.992 3.909 1.00 0.00 H new ATOM 0 H3' G A 19 0.844 12.936 1.180 1.00 0.00 H new ATOM 0 H2' G A 19 3.056 12.321 0.274 1.00 0.00 H new ATOM 0 HO2' G A 19 3.910 13.256 2.517 1.00 0.00 H new ATOM 0 HO3' G A 19 2.196 14.657 1.617 1.00 0.00 H new ATOM 0 H1' G A 19 3.400 10.028 1.889 1.00 0.00 H new ATOM 0 H8 G A 19 0.040 9.930 0.318 1.00 0.00 H new ATOM 0 H1 G A 19 4.688 8.175 -3.672 1.00 0.00 H new ATOM 0 H21 G A 19 6.825 9.480 -1.262 1.00 0.00 H new ATOM 0 H22 G A 19 6.644 8.713 -2.843 1.00 0.00 H new TER 227 G A 19 ATOM 228 O5' C B 59 8.373 5.027 -8.266 1.00 0.00 O ATOM 229 C5' C B 59 9.792 4.904 -8.327 1.00 0.00 C ATOM 230 C4' C B 59 10.494 5.743 -7.253 1.00 0.00 C ATOM 231 O4' C B 59 10.086 7.125 -7.315 1.00 0.00 O ATOM 232 C3' C B 59 10.124 5.280 -5.846 1.00 0.00 C ATOM 233 O3' C B 59 11.139 4.396 -5.368 1.00 0.00 O ATOM 234 C2' C B 59 10.199 6.566 -5.048 1.00 0.00 C ATOM 235 O2' C B 59 11.552 6.920 -4.739 1.00 0.00 O ATOM 236 C1' C B 59 9.578 7.532 -6.030 1.00 0.00 C ATOM 237 N1 C B 59 8.109 7.428 -5.988 1.00 0.00 N ATOM 238 C2 C B 59 7.443 7.987 -4.908 1.00 0.00 C ATOM 239 O2 C B 59 8.073 8.579 -4.034 1.00 0.00 O ATOM 240 N3 C B 59 6.088 7.849 -4.849 1.00 0.00 N ATOM 241 C4 C B 59 5.422 7.189 -5.811 1.00 0.00 C ATOM 242 N4 C B 59 4.096 7.073 -5.730 1.00 0.00 N ATOM 243 C5 C B 59 6.118 6.615 -6.920 1.00 0.00 C ATOM 244 C6 C B 59 7.443 6.764 -6.963 1.00 0.00 C ATOM 0 H5' C B 59 10.140 5.214 -9.312 1.00 0.00 H new ATOM 0 H5'' C B 59 10.070 3.857 -8.206 1.00 0.00 H new ATOM 0 H4' C B 59 11.560 5.626 -7.446 1.00 0.00 H new ATOM 0 H3' C B 59 9.163 4.769 -5.788 1.00 0.00 H new ATOM 0 H2' C B 59 9.709 6.528 -4.075 1.00 0.00 H new ATOM 0 HO2' C B 59 12.149 6.187 -4.998 1.00 0.00 H new ATOM 0 HO5' C B 59 8.131 5.970 -8.150 1.00 0.00 H new ATOM 0 H1' C B 59 9.822 8.570 -5.806 1.00 0.00 H new ATOM 0 H41 C B 59 3.582 6.574 -6.456 1.00 0.00 H new ATOM 0 H42 C B 59 3.595 7.484 -4.942 1.00 0.00 H new ATOM 0 H5 C B 59 5.590 6.080 -7.695 1.00 0.00 H new ATOM 0 H6 C B 59 7.996 6.347 -7.792 1.00 0.00 H new ATOM 257 P A B 60 10.778 3.257 -4.289 1.00 0.00 P ATOM 258 OP1 A B 60 12.025 2.549 -3.925 1.00 0.00 O ATOM 259 OP2 A B 60 9.615 2.493 -4.794 1.00 0.00 O ATOM 260 O5' A B 60 10.297 4.122 -3.017 1.00 0.00 O ATOM 261 C5' A B 60 11.190 5.046 -2.390 1.00 0.00 C ATOM 262 C4' A B 60 10.520 5.790 -1.237 1.00 0.00 C ATOM 263 O4' A B 60 9.581 6.774 -1.701 1.00 0.00 O ATOM 264 C3' A B 60 9.697 4.849 -0.377 1.00 0.00 C ATOM 265 O3' A B 60 10.549 4.254 0.608 1.00 0.00 O ATOM 266 C2' A B 60 8.756 5.824 0.300 1.00 0.00 C ATOM 267 O2' A B 60 9.407 6.531 1.363 1.00 0.00 O ATOM 268 C1' A B 60 8.410 6.750 -0.858 1.00 0.00 C ATOM 269 N9 A B 60 7.226 6.261 -1.596 1.00 0.00 N ATOM 270 C8 A B 60 7.147 5.544 -2.747 1.00 0.00 C ATOM 271 N7 A B 60 5.969 5.233 -3.174 1.00 0.00 N ATOM 272 C5 A B 60 5.153 5.810 -2.197 1.00 0.00 C ATOM 273 C6 A B 60 3.763 5.861 -2.031 1.00 0.00 C ATOM 274 N6 A B 60 2.906 5.293 -2.884 1.00 0.00 N ATOM 275 N1 A B 60 3.293 6.518 -0.953 1.00 0.00 N ATOM 276 C2 A B 60 4.137 7.091 -0.090 1.00 0.00 C ATOM 277 N3 A B 60 5.464 7.098 -0.150 1.00 0.00 N ATOM 278 C4 A B 60 5.911 6.437 -1.235 1.00 0.00 C ATOM 0 H5' A B 60 11.546 5.765 -3.128 1.00 0.00 H new ATOM 0 H5'' A B 60 12.064 4.511 -2.018 1.00 0.00 H new ATOM 0 H4' A B 60 11.340 6.248 -0.683 1.00 0.00 H new ATOM 0 H3' A B 60 9.205 4.041 -0.918 1.00 0.00 H new ATOM 0 H2' A B 60 7.892 5.358 0.774 1.00 0.00 H new ATOM 0 HO2' A B 60 10.235 6.067 1.605 1.00 0.00 H new ATOM 0 H1' A B 60 8.152 7.750 -0.508 1.00 0.00 H new ATOM 0 H8 A B 60 8.035 5.246 -3.284 1.00 0.00 H new ATOM 0 H61 A B 60 1.902 5.359 -2.718 1.00 0.00 H new ATOM 0 H62 A B 60 3.256 4.793 -3.702 1.00 0.00 H new ATOM 0 H2 A B 60 3.691 7.605 0.749 1.00 0.00 H new ATOM 290 P G B 61 10.392 2.692 0.975 1.00 0.00 P ATOM 291 OP1 G B 61 11.581 2.279 1.754 1.00 0.00 O ATOM 292 OP2 G B 61 10.028 1.961 -0.259 1.00 0.00 O ATOM 293 O5' G B 61 9.119 2.684 1.960 1.00 0.00 O ATOM 294 C5' G B 61 9.240 3.163 3.300 1.00 0.00 C ATOM 295 C4' G B 61 7.874 3.361 3.949 1.00 0.00 C ATOM 296 O4' G B 61 7.088 4.291 3.202 1.00 0.00 O ATOM 297 C3' G B 61 7.062 2.075 3.970 1.00 0.00 C ATOM 298 O3' G B 61 7.262 1.416 5.224 1.00 0.00 O ATOM 299 C2' G B 61 5.626 2.553 3.920 1.00 0.00 C ATOM 300 O2' G B 61 5.078 2.721 5.233 1.00 0.00 O ATOM 301 C1' G B 61 5.714 3.875 3.177 1.00 0.00 C ATOM 302 N9 G B 61 5.218 3.695 1.804 1.00 0.00 N ATOM 303 C8 G B 61 5.890 3.498 0.643 1.00 0.00 C ATOM 304 N7 G B 61 5.191 3.332 -0.431 1.00 0.00 N ATOM 305 C5 G B 61 3.887 3.423 0.065 1.00 0.00 C ATOM 306 C6 G B 61 2.644 3.321 -0.612 1.00 0.00 C ATOM 307 O6 G B 61 2.440 3.128 -1.809 1.00 0.00 O ATOM 308 N1 G B 61 1.577 3.467 0.265 1.00 0.00 N ATOM 309 C2 G B 61 1.687 3.684 1.622 1.00 0.00 C ATOM 310 N2 G B 61 0.546 3.783 2.297 1.00 0.00 N ATOM 311 N3 G B 61 2.849 3.784 2.263 1.00 0.00 N ATOM 312 C4 G B 61 3.901 3.644 1.432 1.00 0.00 C ATOM 0 H5' G B 61 9.785 4.107 3.302 1.00 0.00 H new ATOM 0 H5'' G B 61 9.825 2.456 3.889 1.00 0.00 H new ATOM 0 H4' G B 61 8.078 3.712 4.961 1.00 0.00 H new ATOM 0 H3' G B 61 7.329 1.393 3.163 1.00 0.00 H new ATOM 0 H2' G B 61 4.963 1.839 3.431 1.00 0.00 H new ATOM 0 HO2' G B 61 4.107 2.590 5.202 1.00 0.00 H new ATOM 0 H1' G B 61 5.099 4.644 3.644 1.00 0.00 H new ATOM 0 H8 G B 61 6.970 3.480 0.617 1.00 0.00 H new ATOM 0 H1 G B 61 0.637 3.409 -0.126 1.00 0.00 H new ATOM 0 H21 G B 61 0.562 3.944 3.304 1.00 0.00 H new ATOM 0 H22 G B 61 -0.345 3.698 1.808 1.00 0.00 H new ATOM 324 P U B 62 6.718 -0.086 5.447 1.00 0.00 P ATOM 325 OP1 U B 62 7.448 -0.683 6.587 1.00 0.00 O ATOM 326 OP2 U B 62 6.697 -0.774 4.136 1.00 0.00 O ATOM 327 O5' U B 62 5.193 0.183 5.904 1.00 0.00 O ATOM 328 C5' U B 62 4.941 0.831 7.153 1.00 0.00 C ATOM 329 C4' U B 62 3.501 1.330 7.286 1.00 0.00 C ATOM 330 O4' U B 62 3.145 2.204 6.208 1.00 0.00 O ATOM 331 C3' U B 62 2.467 0.217 7.218 1.00 0.00 C ATOM 332 O3' U B 62 2.282 -0.354 8.514 1.00 0.00 O ATOM 333 C2' U B 62 1.229 1.014 6.872 1.00 0.00 C ATOM 334 O2' U B 62 0.743 1.753 7.999 1.00 0.00 O ATOM 335 C1' U B 62 1.789 1.927 5.802 1.00 0.00 C ATOM 336 N1 U B 62 1.755 1.253 4.498 1.00 0.00 N ATOM 337 C2 U B 62 0.545 1.183 3.834 1.00 0.00 C ATOM 338 O2 U B 62 -0.496 1.617 4.322 1.00 0.00 O ATOM 339 N3 U B 62 0.571 0.575 2.592 1.00 0.00 N ATOM 340 C4 U B 62 1.691 0.046 1.970 1.00 0.00 C ATOM 341 O4 U B 62 1.610 -0.452 0.849 1.00 0.00 O ATOM 342 C5 U B 62 2.905 0.163 2.750 1.00 0.00 C ATOM 343 C6 U B 62 2.895 0.745 3.966 1.00 0.00 C ATOM 0 H5' U B 62 5.624 1.674 7.263 1.00 0.00 H new ATOM 0 H5'' U B 62 5.156 0.138 7.966 1.00 0.00 H new ATOM 0 H4' U B 62 3.487 1.823 8.258 1.00 0.00 H new ATOM 0 H3' U B 62 2.720 -0.594 6.535 1.00 0.00 H new ATOM 0 H2' U B 62 0.372 0.417 6.561 1.00 0.00 H new ATOM 0 HO2' U B 62 1.147 1.402 8.820 1.00 0.00 H new ATOM 0 H1' U B 62 1.212 2.845 5.696 1.00 0.00 H new ATOM 0 H3 U B 62 -0.314 0.510 2.088 1.00 0.00 H new ATOM 0 H5 U B 62 3.832 -0.222 2.352 1.00 0.00 H new ATOM 0 H6 U B 62 3.815 0.808 4.529 1.00 0.00 H new ATOM 354 P G B 63 1.668 -1.837 8.656 1.00 0.00 P ATOM 355 OP1 G B 63 1.490 -2.129 10.096 1.00 0.00 O ATOM 356 OP2 G B 63 2.467 -2.751 7.810 1.00 0.00 O ATOM 357 O5' G B 63 0.206 -1.681 7.989 1.00 0.00 O ATOM 358 C5' G B 63 -0.772 -0.819 8.576 1.00 0.00 C ATOM 359 C4' G B 63 -2.118 -0.900 7.854 1.00 0.00 C ATOM 360 O4' G B 63 -2.097 -0.225 6.591 1.00 0.00 O ATOM 361 C3' G B 63 -2.495 -2.332 7.520 1.00 0.00 C ATOM 362 O3' G B 63 -3.187 -2.887 8.639 1.00 0.00 O ATOM 363 C2' G B 63 -3.478 -2.132 6.382 1.00 0.00 C ATOM 364 O2' G B 63 -4.777 -1.762 6.863 1.00 0.00 O ATOM 365 C1' G B 63 -2.824 -1.002 5.619 1.00 0.00 C ATOM 366 N9 G B 63 -1.923 -1.528 4.579 1.00 0.00 N ATOM 367 C8 G B 63 -0.577 -1.657 4.596 1.00 0.00 C ATOM 368 N7 G B 63 0.000 -2.077 3.524 1.00 0.00 N ATOM 369 C5 G B 63 -1.089 -2.266 2.674 1.00 0.00 C ATOM 370 C6 G B 63 -1.120 -2.721 1.334 1.00 0.00 C ATOM 371 O6 G B 63 -0.175 -3.044 0.618 1.00 0.00 O ATOM 372 N1 G B 63 -2.417 -2.771 0.845 1.00 0.00 N ATOM 373 C2 G B 63 -3.552 -2.431 1.554 1.00 0.00 C ATOM 374 N2 G B 63 -4.712 -2.575 0.915 1.00 0.00 N ATOM 375 N3 G B 63 -3.531 -1.996 2.817 1.00 0.00 N ATOM 376 C4 G B 63 -2.274 -1.936 3.314 1.00 0.00 C ATOM 0 H5' G B 63 -0.410 0.209 8.552 1.00 0.00 H new ATOM 0 H5'' G B 63 -0.907 -1.085 9.624 1.00 0.00 H new ATOM 0 H4' G B 63 -2.826 -0.441 8.544 1.00 0.00 H new ATOM 0 H3' G B 63 -1.655 -2.984 7.279 1.00 0.00 H new ATOM 0 H2' G B 63 -3.657 -3.027 5.786 1.00 0.00 H new ATOM 0 HO2' G B 63 -4.784 -1.791 7.843 1.00 0.00 H new ATOM 0 H1' G B 63 -3.565 -0.389 5.106 1.00 0.00 H new ATOM 0 H8 G B 63 -0.005 -1.416 5.480 1.00 0.00 H new ATOM 0 H1 G B 63 -2.543 -3.085 -0.117 1.00 0.00 H new ATOM 0 H21 G B 63 -5.586 -2.340 1.386 1.00 0.00 H new ATOM 0 H22 G B 63 -4.726 -2.920 -0.045 1.00 0.00 H new ATOM 388 P U B 64 -2.944 -4.419 9.062 1.00 0.00 P ATOM 389 OP1 U B 64 -3.560 -4.638 10.390 1.00 0.00 O ATOM 390 OP2 U B 64 -1.515 -4.740 8.847 1.00 0.00 O ATOM 391 O5' U B 64 -3.810 -5.212 7.967 1.00 0.00 O ATOM 392 C5' U B 64 -5.204 -4.936 7.817 1.00 0.00 C ATOM 393 C4' U B 64 -5.785 -5.644 6.601 1.00 0.00 C ATOM 394 O4' U B 64 -5.528 -4.928 5.389 1.00 0.00 O ATOM 395 C3' U B 64 -5.137 -6.999 6.400 1.00 0.00 C ATOM 396 O3' U B 64 -5.855 -7.970 7.163 1.00 0.00 O ATOM 397 C2' U B 64 -5.385 -7.250 4.928 1.00 0.00 C ATOM 398 O2' U B 64 -6.698 -7.776 4.700 1.00 0.00 O ATOM 399 C1' U B 64 -5.233 -5.861 4.333 1.00 0.00 C ATOM 400 N1 U B 64 -3.878 -5.645 3.788 1.00 0.00 N ATOM 401 C2 U B 64 -3.704 -5.866 2.435 1.00 0.00 C ATOM 402 O2 U B 64 -4.618 -6.266 1.716 1.00 0.00 O ATOM 403 N3 U B 64 -2.439 -5.623 1.934 1.00 0.00 N ATOM 404 C4 U B 64 -1.345 -5.184 2.664 1.00 0.00 C ATOM 405 O4 U B 64 -0.262 -4.995 2.116 1.00 0.00 O ATOM 406 C5 U B 64 -1.619 -4.983 4.072 1.00 0.00 C ATOM 407 C6 U B 64 -2.849 -5.213 4.582 1.00 0.00 C ATOM 0 H5' U B 64 -5.355 -3.861 7.720 1.00 0.00 H new ATOM 0 H5'' U B 64 -5.737 -5.253 8.713 1.00 0.00 H new ATOM 0 H4' U B 64 -6.855 -5.721 6.797 1.00 0.00 H new ATOM 0 H3' U B 64 -4.088 -7.046 6.693 1.00 0.00 H new ATOM 0 H2' U B 64 -4.711 -7.987 4.492 1.00 0.00 H new ATOM 0 HO2' U B 64 -7.128 -7.967 5.560 1.00 0.00 H new ATOM 0 H1' U B 64 -5.914 -5.727 3.493 1.00 0.00 H new ATOM 0 H3 U B 64 -2.297 -5.781 0.936 1.00 0.00 H new ATOM 0 H5 U B 64 -0.828 -4.644 4.724 1.00 0.00 H new ATOM 0 H6 U B 64 -3.024 -5.053 5.636 1.00 0.00 H new ATOM 418 P C B 65 -5.064 -9.146 7.927 1.00 0.00 P ATOM 419 OP1 C B 65 -6.001 -9.803 8.865 1.00 0.00 O ATOM 420 OP2 C B 65 -3.784 -8.597 8.425 1.00 0.00 O ATOM 421 O5' C B 65 -4.739 -10.178 6.735 1.00 0.00 O ATOM 422 C5' C B 65 -5.805 -10.795 6.013 1.00 0.00 C ATOM 423 C4' C B 65 -5.294 -11.590 4.815 1.00 0.00 C ATOM 424 O4' C B 65 -5.030 -10.744 3.697 1.00 0.00 O ATOM 425 C3' C B 65 -3.980 -12.284 5.122 1.00 0.00 C ATOM 426 O3' C B 65 -4.188 -13.542 5.777 1.00 0.00 O ATOM 427 C2' C B 65 -3.398 -12.466 3.732 1.00 0.00 C ATOM 428 O2' C B 65 -3.916 -13.639 3.095 1.00 0.00 O ATOM 429 C1' C B 65 -3.851 -11.195 3.018 1.00 0.00 C ATOM 430 N1 C B 65 -2.806 -10.166 3.068 1.00 0.00 N ATOM 431 C2 C B 65 -1.956 -10.058 1.984 1.00 0.00 C ATOM 432 O2 C B 65 -2.070 -10.826 1.032 1.00 0.00 O ATOM 433 N3 C B 65 -1.006 -9.082 2.007 1.00 0.00 N ATOM 434 C4 C B 65 -0.904 -8.250 3.052 1.00 0.00 C ATOM 435 N4 C B 65 0.056 -7.323 3.060 1.00 0.00 N ATOM 436 C5 C B 65 -1.792 -8.364 4.170 1.00 0.00 C ATOM 437 C6 C B 65 -2.713 -9.336 4.135 1.00 0.00 C ATOM 0 H5' C B 65 -6.502 -10.030 5.671 1.00 0.00 H new ATOM 0 H5'' C B 65 -6.359 -11.457 6.679 1.00 0.00 H new ATOM 0 H4' C B 65 -6.080 -12.311 4.591 1.00 0.00 H new ATOM 0 H3' C B 65 -3.334 -11.728 5.802 1.00 0.00 H new ATOM 0 H2' C B 65 -2.317 -12.604 3.729 1.00 0.00 H new ATOM 0 HO2' C B 65 -4.284 -14.244 3.773 1.00 0.00 H new ATOM 0 HO3' C B 65 -3.322 -13.963 5.959 1.00 0.00 H new ATOM 0 H1' C B 65 -4.052 -11.393 1.965 1.00 0.00 H new ATOM 0 H41 C B 65 0.142 -6.685 3.851 1.00 0.00 H new ATOM 0 H42 C B 65 0.704 -7.253 2.275 1.00 0.00 H new ATOM 0 H5 C B 65 -1.722 -7.690 5.011 1.00 0.00 H new ATOM 0 H6 C B 65 -3.390 -9.460 4.967 1.00 0.00 H new TER 450 C B 65