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 -16:sc= 0.339 USER MOD Single : A 1 G O5' : rot 51:sc= -0.105 USER MOD Single : A 2 G O2' : rot -19:sc= 0.314 USER MOD Single : A 3 U O2' : rot -8:sc=-0.00331 USER MOD Single : A 4 U O2' : rot -2:sc= 0.0766 USER MOD Single : A 5 C O2' : rot -82:sc= 1.04 USER MOD Single : A 6 A O2' : rot -12:sc= -0.0642 USER MOD Single : A 7 G O2' : rot -32:sc= 0.738 USER MOD Single : A 8 A O2' : rot -142:sc= -6.31! USER MOD Single : A 9 A O2' : rot 3:sc= 0.56 USER MOD Single : A 10 G O2' : rot -24:sc= 0.276 USER MOD Single : A 11 A O2' : rot -23:sc= 0.367 USER MOD Single : A 12 A O2' : rot -12:sc= 0.339 USER MOD Single : A 13 C O2' : rot -19:sc= 0.434 USER MOD Single : A 14 C O2' : rot -18:sc= 0.259 USER MOD Single : A 14 C O3' : rot 180:sc= 0.216 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -5.034 -4.675 -8.984 1.00 0.00 O ATOM 2 C5' G A 1 -5.995 -5.329 -9.815 1.00 0.00 C ATOM 3 C4' G A 1 -6.759 -6.407 -9.049 1.00 0.00 C ATOM 4 O4' G A 1 -6.055 -7.654 -9.068 1.00 0.00 O ATOM 5 C3' G A 1 -6.909 -6.033 -7.581 1.00 0.00 C ATOM 6 O3' G A 1 -8.187 -5.419 -7.398 1.00 0.00 O ATOM 7 C2' G A 1 -6.919 -7.378 -6.882 1.00 0.00 C ATOM 8 O2' G A 1 -8.229 -7.955 -6.868 1.00 0.00 O ATOM 9 C1' G A 1 -5.959 -8.191 -7.740 1.00 0.00 C ATOM 10 N9 G A 1 -4.581 -8.088 -7.224 1.00 0.00 N ATOM 11 C8 G A 1 -3.498 -7.478 -7.764 1.00 0.00 C ATOM 12 N7 G A 1 -2.392 -7.524 -7.099 1.00 0.00 N ATOM 13 C5 G A 1 -2.770 -8.254 -5.968 1.00 0.00 C ATOM 14 C6 G A 1 -2.000 -8.651 -4.842 1.00 0.00 C ATOM 15 O6 G A 1 -0.812 -8.431 -4.614 1.00 0.00 O ATOM 16 N1 G A 1 -2.763 -9.371 -3.932 1.00 0.00 N ATOM 17 C2 G A 1 -4.101 -9.677 -4.081 1.00 0.00 C ATOM 18 N2 G A 1 -4.659 -10.380 -3.096 1.00 0.00 N ATOM 19 N3 G A 1 -4.832 -9.308 -5.138 1.00 0.00 N ATOM 20 C4 G A 1 -4.110 -8.604 -6.038 1.00 0.00 C ATOM 0 H5' G A 1 -5.491 -5.778 -10.671 1.00 0.00 H new ATOM 0 H5'' G A 1 -6.697 -4.594 -10.208 1.00 0.00 H new ATOM 0 H4' G A 1 -7.730 -6.495 -9.537 1.00 0.00 H new ATOM 0 H3' G A 1 -6.136 -5.355 -7.219 1.00 0.00 H new ATOM 0 H2' G A 1 -6.631 -7.327 -5.832 1.00 0.00 H new ATOM 0 HO2' G A 1 -8.892 -7.266 -7.083 1.00 0.00 H new ATOM 0 HO5' G A 1 -4.481 -5.346 -8.533 1.00 0.00 H new ATOM 0 H1' G A 1 -6.216 -9.250 -7.727 1.00 0.00 H new ATOM 0 H8 G A 1 -3.558 -6.972 -8.716 1.00 0.00 H new ATOM 0 H1 G A 1 -2.298 -9.700 -3.086 1.00 0.00 H new ATOM 0 H21 G A 1 -5.645 -10.637 -3.148 1.00 0.00 H new ATOM 0 H22 G A 1 -4.100 -10.661 -2.290 1.00 0.00 H new ATOM 33 P G A 2 -8.346 -4.145 -6.426 1.00 0.00 P ATOM 34 OP1 G A 2 -9.614 -3.460 -6.763 1.00 0.00 O ATOM 35 OP2 G A 2 -7.073 -3.391 -6.440 1.00 0.00 O ATOM 36 O5' G A 2 -8.512 -4.827 -4.977 1.00 0.00 O ATOM 37 C5' G A 2 -9.720 -5.509 -4.634 1.00 0.00 C ATOM 38 C4' G A 2 -9.669 -6.069 -3.215 1.00 0.00 C ATOM 39 O4' G A 2 -8.696 -7.111 -3.096 1.00 0.00 O ATOM 40 C3' G A 2 -9.240 -5.007 -2.218 1.00 0.00 C ATOM 41 O3' G A 2 -10.404 -4.338 -1.729 1.00 0.00 O ATOM 42 C2' G A 2 -8.649 -5.832 -1.093 1.00 0.00 C ATOM 43 O2' G A 2 -9.664 -6.304 -0.199 1.00 0.00 O ATOM 44 C1' G A 2 -7.990 -6.981 -1.848 1.00 0.00 C ATOM 45 N9 G A 2 -6.559 -6.701 -2.072 1.00 0.00 N ATOM 46 C8 G A 2 -5.931 -6.223 -3.175 1.00 0.00 C ATOM 47 N7 G A 2 -4.655 -6.046 -3.107 1.00 0.00 N ATOM 48 C5 G A 2 -4.379 -6.452 -1.798 1.00 0.00 C ATOM 49 C6 G A 2 -3.143 -6.497 -1.098 1.00 0.00 C ATOM 50 O6 G A 2 -2.025 -6.181 -1.503 1.00 0.00 O ATOM 51 N1 G A 2 -3.308 -6.968 0.199 1.00 0.00 N ATOM 52 C2 G A 2 -4.510 -7.350 0.759 1.00 0.00 C ATOM 53 N2 G A 2 -4.464 -7.777 2.021 1.00 0.00 N ATOM 54 N3 G A 2 -5.677 -7.311 0.108 1.00 0.00 N ATOM 55 C4 G A 2 -5.541 -6.855 -1.157 1.00 0.00 C ATOM 0 H5' G A 2 -9.892 -6.322 -5.340 1.00 0.00 H new ATOM 0 H5'' G A 2 -10.563 -4.824 -4.725 1.00 0.00 H new ATOM 0 H4' G A 2 -10.675 -6.435 -3.009 1.00 0.00 H new ATOM 0 H3' G A 2 -8.560 -4.261 -2.630 1.00 0.00 H new ATOM 0 H2' G A 2 -7.960 -5.275 -0.458 1.00 0.00 H new ATOM 0 HO2' G A 2 -10.473 -5.761 -0.306 1.00 0.00 H new ATOM 0 H1' G A 2 -8.042 -7.909 -1.279 1.00 0.00 H new ATOM 0 H8 G A 2 -6.480 -5.999 -4.078 1.00 0.00 H new ATOM 0 H1 G A 2 -2.475 -7.037 0.783 1.00 0.00 H new ATOM 0 H21 G A 2 -5.320 -8.073 2.491 1.00 0.00 H new ATOM 0 H22 G A 2 -3.573 -7.807 2.517 1.00 0.00 H new ATOM 67 P U A 3 -10.328 -2.790 -1.292 1.00 0.00 P ATOM 68 OP1 U A 3 -11.705 -2.314 -1.031 1.00 0.00 O ATOM 69 OP2 U A 3 -9.472 -2.075 -2.266 1.00 0.00 O ATOM 70 O5' U A 3 -9.544 -2.857 0.113 1.00 0.00 O ATOM 71 C5' U A 3 -10.269 -3.001 1.337 1.00 0.00 C ATOM 72 C4' U A 3 -9.337 -3.196 2.530 1.00 0.00 C ATOM 73 O4' U A 3 -8.281 -4.108 2.234 1.00 0.00 O ATOM 74 C3' U A 3 -8.638 -1.903 2.906 1.00 0.00 C ATOM 75 O3' U A 3 -9.464 -1.187 3.827 1.00 0.00 O ATOM 76 C2' U A 3 -7.408 -2.397 3.648 1.00 0.00 C ATOM 77 O2' U A 3 -7.685 -2.612 5.036 1.00 0.00 O ATOM 78 C1' U A 3 -7.087 -3.710 2.932 1.00 0.00 C ATOM 79 N1 U A 3 -5.959 -3.530 1.999 1.00 0.00 N ATOM 80 C2 U A 3 -4.685 -3.537 2.533 1.00 0.00 C ATOM 81 O2 U A 3 -4.482 -3.695 3.735 1.00 0.00 O ATOM 82 N3 U A 3 -3.648 -3.355 1.637 1.00 0.00 N ATOM 83 C4 U A 3 -3.775 -3.169 0.270 1.00 0.00 C ATOM 84 O4 U A 3 -2.780 -3.016 -0.435 1.00 0.00 O ATOM 85 C5 U A 3 -5.141 -3.177 -0.201 1.00 0.00 C ATOM 86 C6 U A 3 -6.173 -3.353 0.659 1.00 0.00 C ATOM 0 H5' U A 3 -10.945 -3.853 1.261 1.00 0.00 H new ATOM 0 H5'' U A 3 -10.887 -2.118 1.499 1.00 0.00 H new ATOM 0 H4' U A 3 -9.976 -3.565 3.332 1.00 0.00 H new ATOM 0 H3' U A 3 -8.419 -1.255 2.058 1.00 0.00 H new ATOM 0 H2' U A 3 -6.582 -1.686 3.634 1.00 0.00 H new ATOM 0 HO2' U A 3 -8.581 -2.275 5.247 1.00 0.00 H new ATOM 0 H1' U A 3 -6.786 -4.480 3.643 1.00 0.00 H new ATOM 0 H3 U A 3 -2.702 -3.358 2.018 1.00 0.00 H new ATOM 0 H5 U A 3 -5.342 -3.041 -1.253 1.00 0.00 H new ATOM 0 H6 U A 3 -7.184 -3.354 0.280 1.00 0.00 H new ATOM 97 P U A 4 -9.358 0.417 3.940 1.00 0.00 P ATOM 98 OP1 U A 4 -10.312 0.871 4.977 1.00 0.00 O ATOM 99 OP2 U A 4 -9.427 0.984 2.575 1.00 0.00 O ATOM 100 O5' U A 4 -7.864 0.633 4.503 1.00 0.00 O ATOM 101 C5' U A 4 -7.589 0.490 5.898 1.00 0.00 C ATOM 102 C4' U A 4 -6.155 0.889 6.240 1.00 0.00 C ATOM 103 O4' U A 4 -5.204 0.006 5.649 1.00 0.00 O ATOM 104 C3' U A 4 -5.806 2.253 5.678 1.00 0.00 C ATOM 105 O3' U A 4 -6.197 3.255 6.620 1.00 0.00 O ATOM 106 C2' U A 4 -4.288 2.210 5.628 1.00 0.00 C ATOM 107 O2' U A 4 -3.712 2.639 6.867 1.00 0.00 O ATOM 108 C1' U A 4 -3.995 0.732 5.358 1.00 0.00 C ATOM 109 N1 U A 4 -3.572 0.536 3.959 1.00 0.00 N ATOM 110 C2 U A 4 -2.222 0.635 3.689 1.00 0.00 C ATOM 111 O2 U A 4 -1.395 0.864 4.567 1.00 0.00 O ATOM 112 N3 U A 4 -1.853 0.464 2.367 1.00 0.00 N ATOM 113 C4 U A 4 -2.705 0.204 1.308 1.00 0.00 C ATOM 114 O4 U A 4 -2.264 0.071 0.167 1.00 0.00 O ATOM 115 C5 U A 4 -4.100 0.116 1.683 1.00 0.00 C ATOM 116 C6 U A 4 -4.485 0.280 2.972 1.00 0.00 C ATOM 0 H5' U A 4 -7.759 -0.544 6.197 1.00 0.00 H new ATOM 0 H5'' U A 4 -8.283 1.106 6.470 1.00 0.00 H new ATOM 0 H4' U A 4 -6.110 0.868 7.329 1.00 0.00 H new ATOM 0 H3' U A 4 -6.281 2.471 4.722 1.00 0.00 H new ATOM 0 H2' U A 4 -3.865 2.875 4.875 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.425 2.910 7.483 1.00 0.00 H new ATOM 0 H1' U A 4 -3.178 0.372 5.984 1.00 0.00 H new ATOM 0 H3 U A 4 -0.858 0.536 2.152 1.00 0.00 H new ATOM 0 H5 U A 4 -4.844 -0.083 0.926 1.00 0.00 H new ATOM 0 H6 U A 4 -5.532 0.207 3.225 1.00 0.00 H new ATOM 127 P C A 5 -6.302 4.797 6.167 1.00 0.00 P ATOM 128 OP1 C A 5 -6.681 5.601 7.351 1.00 0.00 O ATOM 129 OP2 C A 5 -7.119 4.864 4.935 1.00 0.00 O ATOM 130 O5' C A 5 -4.779 5.158 5.782 1.00 0.00 O ATOM 131 C5' C A 5 -3.887 5.674 6.772 1.00 0.00 C ATOM 132 C4' C A 5 -2.505 5.975 6.194 1.00 0.00 C ATOM 133 O4' C A 5 -2.032 4.914 5.374 1.00 0.00 O ATOM 134 C3' C A 5 -2.534 7.180 5.273 1.00 0.00 C ATOM 135 O3' C A 5 -2.295 8.355 6.053 1.00 0.00 O ATOM 136 C2' C A 5 -1.331 6.959 4.363 1.00 0.00 C ATOM 137 O2' C A 5 -0.189 7.685 4.829 1.00 0.00 O ATOM 138 C1' C A 5 -1.092 5.445 4.430 1.00 0.00 C ATOM 139 N1 C A 5 -1.264 4.828 3.102 1.00 0.00 N ATOM 140 C2 C A 5 -0.155 4.790 2.273 1.00 0.00 C ATOM 141 O2 C A 5 0.915 5.260 2.653 1.00 0.00 O ATOM 142 N3 C A 5 -0.288 4.224 1.042 1.00 0.00 N ATOM 143 C4 C A 5 -1.461 3.716 0.642 1.00 0.00 C ATOM 144 N4 C A 5 -1.557 3.170 -0.571 1.00 0.00 N ATOM 145 C5 C A 5 -2.608 3.754 1.495 1.00 0.00 C ATOM 146 C6 C A 5 -2.465 4.316 2.711 1.00 0.00 C ATOM 0 H5' C A 5 -3.791 4.954 7.585 1.00 0.00 H new ATOM 0 H5'' C A 5 -4.307 6.584 7.200 1.00 0.00 H new ATOM 0 H4' C A 5 -1.867 6.136 7.063 1.00 0.00 H new ATOM 0 H3' C A 5 -3.476 7.294 4.736 1.00 0.00 H new ATOM 0 H2' C A 5 -1.504 7.311 3.346 1.00 0.00 H new ATOM 0 HO2' C A 5 -0.250 8.617 4.531 1.00 0.00 H new ATOM 0 H1' C A 5 -0.071 5.227 4.745 1.00 0.00 H new ATOM 0 H41 C A 5 -2.445 2.780 -0.886 1.00 0.00 H new ATOM 0 H42 C A 5 -0.742 3.142 -1.184 1.00 0.00 H new ATOM 0 H5 C A 5 -3.556 3.346 1.176 1.00 0.00 H new ATOM 0 H6 C A 5 -3.310 4.361 3.382 1.00 0.00 H new ATOM 158 P A A 6 -2.434 9.816 5.390 1.00 0.00 P ATOM 159 OP1 A A 6 -1.920 10.814 6.354 1.00 0.00 O ATOM 160 OP2 A A 6 -3.805 9.950 4.849 1.00 0.00 O ATOM 161 O5' A A 6 -1.408 9.738 4.150 1.00 0.00 O ATOM 162 C5' A A 6 -1.872 9.928 2.810 1.00 0.00 C ATOM 163 C4' A A 6 -0.764 9.668 1.792 1.00 0.00 C ATOM 164 O4' A A 6 -0.513 8.268 1.655 1.00 0.00 O ATOM 165 C3' A A 6 -1.166 10.162 0.409 1.00 0.00 C ATOM 166 O3' A A 6 -0.609 11.465 0.220 1.00 0.00 O ATOM 167 C2' A A 6 -0.460 9.204 -0.535 1.00 0.00 C ATOM 168 O2' A A 6 0.846 9.678 -0.882 1.00 0.00 O ATOM 169 C1' A A 6 -0.386 7.911 0.272 1.00 0.00 C ATOM 170 N9 A A 6 -1.453 6.977 -0.134 1.00 0.00 N ATOM 171 C8 A A 6 -2.556 6.567 0.541 1.00 0.00 C ATOM 172 N7 A A 6 -3.333 5.719 -0.047 1.00 0.00 N ATOM 173 C5 A A 6 -2.676 5.536 -1.268 1.00 0.00 C ATOM 174 C6 A A 6 -2.960 4.750 -2.390 1.00 0.00 C ATOM 175 N6 A A 6 -4.032 3.960 -2.473 1.00 0.00 N ATOM 176 N1 A A 6 -2.098 4.806 -3.421 1.00 0.00 N ATOM 177 C2 A A 6 -1.019 5.590 -3.355 1.00 0.00 C ATOM 178 N3 A A 6 -0.657 6.372 -2.345 1.00 0.00 N ATOM 179 C4 A A 6 -1.533 6.298 -1.327 1.00 0.00 C ATOM 0 H5' A A 6 -2.243 10.946 2.693 1.00 0.00 H new ATOM 0 H5'' A A 6 -2.710 9.259 2.616 1.00 0.00 H new ATOM 0 H4' A A 6 0.118 10.194 2.158 1.00 0.00 H new ATOM 0 H3' A A 6 -2.245 10.204 0.260 1.00 0.00 H new ATOM 0 H2' A A 6 -0.979 9.084 -1.486 1.00 0.00 H new ATOM 0 HO2' A A 6 0.942 10.610 -0.596 1.00 0.00 H new ATOM 0 H1' A A 6 0.561 7.401 0.095 1.00 0.00 H new ATOM 0 H8 A A 6 -2.776 6.935 1.532 1.00 0.00 H new ATOM 0 H61 A A 6 -4.194 3.406 -3.314 1.00 0.00 H new ATOM 0 H62 A A 6 -4.690 3.910 -1.695 1.00 0.00 H new ATOM 0 H2 A A 6 -0.370 5.588 -4.218 1.00 0.00 H new ATOM 191 P G A 7 -1.167 12.440 -0.936 1.00 0.00 P ATOM 192 OP1 G A 7 -0.059 13.318 -1.376 1.00 0.00 O ATOM 193 OP2 G A 7 -2.437 13.036 -0.463 1.00 0.00 O ATOM 194 O5' G A 7 -1.505 11.415 -2.133 1.00 0.00 O ATOM 195 C5' G A 7 -0.559 11.175 -3.180 1.00 0.00 C ATOM 196 C4' G A 7 -1.116 10.211 -4.226 1.00 0.00 C ATOM 197 O4' G A 7 -1.703 9.065 -3.600 1.00 0.00 O ATOM 198 C3' G A 7 -2.224 10.873 -5.053 1.00 0.00 C ATOM 199 O3' G A 7 -2.026 10.519 -6.425 1.00 0.00 O ATOM 200 C2' G A 7 -3.502 10.196 -4.577 1.00 0.00 C ATOM 201 O2' G A 7 -4.470 10.100 -5.628 1.00 0.00 O ATOM 202 C1' G A 7 -2.992 8.831 -4.163 1.00 0.00 C ATOM 203 N9 G A 7 -3.893 8.189 -3.191 1.00 0.00 N ATOM 204 C8 G A 7 -4.436 6.952 -3.219 1.00 0.00 C ATOM 205 N7 G A 7 -5.200 6.609 -2.236 1.00 0.00 N ATOM 206 C5 G A 7 -5.172 7.758 -1.439 1.00 0.00 C ATOM 207 C6 G A 7 -5.817 8.023 -0.201 1.00 0.00 C ATOM 208 O6 G A 7 -6.554 7.285 0.448 1.00 0.00 O ATOM 209 N1 G A 7 -5.526 9.300 0.263 1.00 0.00 N ATOM 210 C2 G A 7 -4.713 10.214 -0.379 1.00 0.00 C ATOM 211 N2 G A 7 -4.556 11.391 0.229 1.00 0.00 N ATOM 212 N3 G A 7 -4.102 9.972 -1.545 1.00 0.00 N ATOM 213 C4 G A 7 -4.372 8.734 -2.017 1.00 0.00 C ATOM 0 H5' G A 7 0.358 10.765 -2.757 1.00 0.00 H new ATOM 0 H5'' G A 7 -0.295 12.119 -3.657 1.00 0.00 H new ATOM 0 H4' G A 7 -0.278 9.925 -4.861 1.00 0.00 H new ATOM 0 H3' G A 7 -2.245 11.958 -4.950 1.00 0.00 H new ATOM 0 H2' G A 7 -4.017 10.735 -3.781 1.00 0.00 H new ATOM 0 HO2' G A 7 -4.373 10.865 -6.233 1.00 0.00 H new ATOM 0 H1' G A 7 -2.944 8.148 -5.011 1.00 0.00 H new ATOM 0 H8 G A 7 -4.238 6.273 -4.035 1.00 0.00 H new ATOM 0 H1 G A 7 -5.946 9.585 1.148 1.00 0.00 H new ATOM 0 H21 G A 7 -3.968 12.109 -0.194 1.00 0.00 H new ATOM 0 H22 G A 7 -5.024 11.573 1.117 1.00 0.00 H new ATOM 225 P A A 8 -2.383 11.560 -7.600 1.00 0.00 P ATOM 226 OP1 A A 8 -1.720 12.847 -7.297 1.00 0.00 O ATOM 227 OP2 A A 8 -3.845 11.518 -7.825 1.00 0.00 O ATOM 228 O5' A A 8 -1.657 10.906 -8.880 1.00 0.00 O ATOM 229 C5' A A 8 -1.562 9.485 -9.019 1.00 0.00 C ATOM 230 C4' A A 8 -0.342 9.084 -9.844 1.00 0.00 C ATOM 231 O4' A A 8 0.780 9.934 -9.559 1.00 0.00 O ATOM 232 C3' A A 8 0.116 7.673 -9.498 1.00 0.00 C ATOM 233 O3' A A 8 0.814 7.137 -10.626 1.00 0.00 O ATOM 234 C2' A A 8 1.125 7.915 -8.402 1.00 0.00 C ATOM 235 O2' A A 8 2.040 6.823 -8.279 1.00 0.00 O ATOM 236 C1' A A 8 1.808 9.172 -8.908 1.00 0.00 C ATOM 237 N9 A A 8 2.417 9.931 -7.803 1.00 0.00 N ATOM 238 C8 A A 8 1.826 10.568 -6.764 1.00 0.00 C ATOM 239 N7 A A 8 2.597 11.172 -5.921 1.00 0.00 N ATOM 240 C5 A A 8 3.862 10.908 -6.457 1.00 0.00 C ATOM 241 C6 A A 8 5.155 11.260 -6.056 1.00 0.00 C ATOM 242 N6 A A 8 5.406 11.989 -4.968 1.00 0.00 N ATOM 243 N1 A A 8 6.179 10.833 -6.818 1.00 0.00 N ATOM 244 C2 A A 8 5.948 10.103 -7.911 1.00 0.00 C ATOM 245 N3 A A 8 4.767 9.714 -8.382 1.00 0.00 N ATOM 246 C4 A A 8 3.759 10.154 -7.603 1.00 0.00 C ATOM 0 H5' A A 8 -2.466 9.104 -9.495 1.00 0.00 H new ATOM 0 H5'' A A 8 -1.503 9.025 -8.033 1.00 0.00 H new ATOM 0 H4' A A 8 -0.647 9.161 -10.888 1.00 0.00 H new ATOM 0 H3' A A 8 -0.695 6.998 -9.224 1.00 0.00 H new ATOM 0 H2' A A 8 0.694 8.013 -7.406 1.00 0.00 H new ATOM 0 HO2' A A 8 2.244 6.672 -7.332 1.00 0.00 H new ATOM 0 H1' A A 8 2.624 8.936 -9.591 1.00 0.00 H new ATOM 0 H8 A A 8 0.753 10.571 -6.645 1.00 0.00 H new ATOM 0 H61 A A 8 6.368 12.219 -4.719 1.00 0.00 H new ATOM 0 H62 A A 8 4.636 12.317 -4.385 1.00 0.00 H new ATOM 0 H2 A A 8 6.816 9.794 -8.475 1.00 0.00 H new ATOM 258 P A A 9 0.787 5.558 -10.937 1.00 0.00 P ATOM 259 OP1 A A 9 0.232 5.363 -12.295 1.00 0.00 O ATOM 260 OP2 A A 9 0.169 4.870 -9.780 1.00 0.00 O ATOM 261 O5' A A 9 2.354 5.182 -10.972 1.00 0.00 O ATOM 262 C5' A A 9 2.985 4.584 -9.835 1.00 0.00 C ATOM 263 C4' A A 9 4.329 5.243 -9.520 1.00 0.00 C ATOM 264 O4' A A 9 4.111 6.502 -8.871 1.00 0.00 O ATOM 265 C3' A A 9 5.151 4.385 -8.557 1.00 0.00 C ATOM 266 O3' A A 9 6.300 3.897 -9.248 1.00 0.00 O ATOM 267 C2' A A 9 5.679 5.350 -7.504 1.00 0.00 C ATOM 268 O2' A A 9 7.043 5.701 -7.761 1.00 0.00 O ATOM 269 C1' A A 9 4.774 6.562 -7.603 1.00 0.00 C ATOM 270 N9 A A 9 3.827 6.579 -6.464 1.00 0.00 N ATOM 271 C8 A A 9 2.764 5.779 -6.191 1.00 0.00 C ATOM 272 N7 A A 9 2.137 5.977 -5.081 1.00 0.00 N ATOM 273 C5 A A 9 2.860 7.041 -4.535 1.00 0.00 C ATOM 274 C6 A A 9 2.734 7.763 -3.342 1.00 0.00 C ATOM 275 N6 A A 9 1.789 7.515 -2.437 1.00 0.00 N ATOM 276 N1 A A 9 3.618 8.747 -3.119 1.00 0.00 N ATOM 277 C2 A A 9 4.572 9.010 -4.012 1.00 0.00 C ATOM 278 N3 A A 9 4.785 8.393 -5.168 1.00 0.00 N ATOM 279 C4 A A 9 3.888 7.412 -5.371 1.00 0.00 C ATOM 0 H5' A A 9 3.136 3.521 -10.020 1.00 0.00 H new ATOM 0 H5'' A A 9 2.328 4.666 -8.969 1.00 0.00 H new ATOM 0 H4' A A 9 4.860 5.365 -10.464 1.00 0.00 H new ATOM 0 H3' A A 9 4.560 3.565 -8.151 1.00 0.00 H new ATOM 0 H2' A A 9 5.669 4.912 -6.506 1.00 0.00 H new ATOM 0 HO2' A A 9 7.336 5.284 -8.598 1.00 0.00 H new ATOM 0 H1' A A 9 5.340 7.492 -7.546 1.00 0.00 H new ATOM 0 H8 A A 9 2.455 5.005 -6.878 1.00 0.00 H new ATOM 0 H61 A A 9 1.742 8.072 -1.584 1.00 0.00 H new ATOM 0 H62 A A 9 1.113 6.769 -2.597 1.00 0.00 H new ATOM 0 H2 A A 9 5.248 9.816 -3.768 1.00 0.00 H new ATOM 291 P G A 10 7.072 2.593 -8.702 1.00 0.00 P ATOM 292 OP1 G A 10 8.453 2.615 -9.234 1.00 0.00 O ATOM 293 OP2 G A 10 6.210 1.412 -8.937 1.00 0.00 O ATOM 294 O5' G A 10 7.140 2.861 -7.111 1.00 0.00 O ATOM 295 C5' G A 10 8.385 3.197 -6.490 1.00 0.00 C ATOM 296 C4' G A 10 8.205 3.712 -5.059 1.00 0.00 C ATOM 297 O4' G A 10 7.064 4.565 -4.928 1.00 0.00 O ATOM 298 C3' G A 10 7.939 2.584 -4.082 1.00 0.00 C ATOM 299 O3' G A 10 9.188 2.032 -3.655 1.00 0.00 O ATOM 300 C2' G A 10 7.314 3.325 -2.918 1.00 0.00 C ATOM 301 O2' G A 10 8.310 3.934 -2.086 1.00 0.00 O ATOM 302 C1' G A 10 6.463 4.372 -3.630 1.00 0.00 C ATOM 303 N9 G A 10 5.064 3.910 -3.740 1.00 0.00 N ATOM 304 C8 G A 10 4.437 3.275 -4.760 1.00 0.00 C ATOM 305 N7 G A 10 3.198 2.955 -4.596 1.00 0.00 N ATOM 306 C5 G A 10 2.949 3.428 -3.305 1.00 0.00 C ATOM 307 C6 G A 10 1.757 3.381 -2.534 1.00 0.00 C ATOM 308 O6 G A 10 0.668 2.904 -2.843 1.00 0.00 O ATOM 309 N1 G A 10 1.933 3.968 -1.287 1.00 0.00 N ATOM 310 C2 G A 10 3.108 4.533 -0.832 1.00 0.00 C ATOM 311 N2 G A 10 3.076 5.048 0.398 1.00 0.00 N ATOM 312 N3 G A 10 4.234 4.582 -1.552 1.00 0.00 N ATOM 313 C4 G A 10 4.088 4.015 -2.772 1.00 0.00 C ATOM 0 H5' G A 10 8.891 3.957 -7.085 1.00 0.00 H new ATOM 0 H5'' G A 10 9.031 2.319 -6.478 1.00 0.00 H new ATOM 0 H4' G A 10 9.135 4.238 -4.843 1.00 0.00 H new ATOM 0 H3' G A 10 7.331 1.774 -4.486 1.00 0.00 H new ATOM 0 H2' G A 10 6.747 2.684 -2.243 1.00 0.00 H new ATOM 0 HO2' G A 10 9.162 3.462 -2.197 1.00 0.00 H new ATOM 0 H1' G A 10 6.433 5.312 -3.079 1.00 0.00 H new ATOM 0 H8 G A 10 4.957 3.045 -5.678 1.00 0.00 H new ATOM 0 H1 G A 10 1.130 3.983 -0.658 1.00 0.00 H new ATOM 0 H21 G A 10 3.912 5.480 0.792 1.00 0.00 H new ATOM 0 H22 G A 10 2.216 5.010 0.945 1.00 0.00 H new ATOM 325 P A A 11 9.299 0.466 -3.296 1.00 0.00 P ATOM 326 OP1 A A 11 10.729 0.137 -3.102 1.00 0.00 O ATOM 327 OP2 A A 11 8.494 -0.293 -4.279 1.00 0.00 O ATOM 328 O5' A A 11 8.563 0.378 -1.866 1.00 0.00 O ATOM 329 C5' A A 11 9.310 0.542 -0.658 1.00 0.00 C ATOM 330 C4' A A 11 8.399 0.776 0.547 1.00 0.00 C ATOM 331 O4' A A 11 7.307 1.637 0.229 1.00 0.00 O ATOM 332 C3' A A 11 7.742 -0.509 1.008 1.00 0.00 C ATOM 333 O3' A A 11 8.623 -1.184 1.909 1.00 0.00 O ATOM 334 C2' A A 11 6.548 0.002 1.794 1.00 0.00 C ATOM 335 O2' A A 11 6.896 0.279 3.156 1.00 0.00 O ATOM 336 C1' A A 11 6.171 1.280 1.042 1.00 0.00 C ATOM 337 N9 A A 11 4.967 1.058 0.219 1.00 0.00 N ATOM 338 C8 A A 11 4.850 0.836 -1.114 1.00 0.00 C ATOM 339 N7 A A 11 3.663 0.644 -1.584 1.00 0.00 N ATOM 340 C5 A A 11 2.881 0.748 -0.429 1.00 0.00 C ATOM 341 C6 A A 11 1.505 0.645 -0.203 1.00 0.00 C ATOM 342 N6 A A 11 0.621 0.405 -1.171 1.00 0.00 N ATOM 343 N1 A A 11 1.073 0.802 1.061 1.00 0.00 N ATOM 344 C2 A A 11 1.938 1.044 2.046 1.00 0.00 C ATOM 345 N3 A A 11 3.259 1.160 1.945 1.00 0.00 N ATOM 346 C4 A A 11 3.668 1.000 0.672 1.00 0.00 C ATOM 0 H5' A A 11 9.994 1.384 -0.765 1.00 0.00 H new ATOM 0 H5'' A A 11 9.920 -0.344 -0.485 1.00 0.00 H new ATOM 0 H4' A A 11 9.049 1.205 1.309 1.00 0.00 H new ATOM 0 H3' A A 11 7.489 -1.193 0.198 1.00 0.00 H new ATOM 0 H2' A A 11 5.733 -0.719 1.855 1.00 0.00 H new ATOM 0 HO2' A A 11 7.689 -0.241 3.403 1.00 0.00 H new ATOM 0 H1' A A 11 5.932 2.089 1.733 1.00 0.00 H new ATOM 0 H8 A A 11 5.717 0.820 -1.758 1.00 0.00 H new ATOM 0 H61 A A 11 -0.373 0.340 -0.950 1.00 0.00 H new ATOM 0 H62 A A 11 0.938 0.287 -2.133 1.00 0.00 H new ATOM 0 H2 A A 11 1.520 1.158 3.035 1.00 0.00 H new ATOM 358 P A A 12 8.713 -2.792 1.903 1.00 0.00 P ATOM 359 OP1 A A 12 9.946 -3.189 2.618 1.00 0.00 O ATOM 360 OP2 A A 12 8.479 -3.263 0.519 1.00 0.00 O ATOM 361 O5' A A 12 7.448 -3.225 2.803 1.00 0.00 O ATOM 362 C5' A A 12 7.587 -3.385 4.217 1.00 0.00 C ATOM 363 C4' A A 12 6.236 -3.578 4.905 1.00 0.00 C ATOM 364 O4' A A 12 5.285 -2.603 4.480 1.00 0.00 O ATOM 365 C3' A A 12 5.611 -4.911 4.540 1.00 0.00 C ATOM 366 O3' A A 12 6.077 -5.906 5.457 1.00 0.00 O ATOM 367 C2' A A 12 4.135 -4.667 4.807 1.00 0.00 C ATOM 368 O2' A A 12 3.799 -4.932 6.174 1.00 0.00 O ATOM 369 C1' A A 12 3.967 -3.185 4.469 1.00 0.00 C ATOM 370 N9 A A 12 3.324 -3.022 3.152 1.00 0.00 N ATOM 371 C8 A A 12 3.882 -2.829 1.932 1.00 0.00 C ATOM 372 N7 A A 12 3.087 -2.736 0.919 1.00 0.00 N ATOM 373 C5 A A 12 1.837 -2.886 1.528 1.00 0.00 C ATOM 374 C6 A A 12 0.533 -2.890 1.024 1.00 0.00 C ATOM 375 N6 A A 12 0.251 -2.735 -0.270 1.00 0.00 N ATOM 376 N1 A A 12 -0.470 -3.061 1.904 1.00 0.00 N ATOM 377 C2 A A 12 -0.210 -3.220 3.202 1.00 0.00 C ATOM 378 N3 A A 12 0.985 -3.233 3.787 1.00 0.00 N ATOM 379 C4 A A 12 1.973 -3.059 2.887 1.00 0.00 C ATOM 0 H5' A A 12 8.085 -2.510 4.634 1.00 0.00 H new ATOM 0 H5'' A A 12 8.226 -4.244 4.424 1.00 0.00 H new ATOM 0 H4' A A 12 6.446 -3.503 5.972 1.00 0.00 H new ATOM 0 H3' A A 12 5.835 -5.241 3.526 1.00 0.00 H new ATOM 0 H2' A A 12 3.481 -5.317 4.226 1.00 0.00 H new ATOM 0 HO2' A A 12 4.545 -5.394 6.611 1.00 0.00 H new ATOM 0 H1' A A 12 3.324 -2.688 5.195 1.00 0.00 H new ATOM 0 H8 A A 12 4.953 -2.756 1.812 1.00 0.00 H new ATOM 0 H61 A A 12 -0.719 -2.746 -0.585 1.00 0.00 H new ATOM 0 H62 A A 12 1.005 -2.606 -0.944 1.00 0.00 H new ATOM 0 H2 A A 12 -1.064 -3.353 3.850 1.00 0.00 H new ATOM 391 P C A 13 6.101 -7.459 5.029 1.00 0.00 P ATOM 392 OP1 C A 13 6.707 -8.232 6.135 1.00 0.00 O ATOM 393 OP2 C A 13 6.666 -7.556 3.664 1.00 0.00 O ATOM 394 O5' C A 13 4.535 -7.834 4.953 1.00 0.00 O ATOM 395 C5' C A 13 3.853 -8.332 6.108 1.00 0.00 C ATOM 396 C4' C A 13 2.358 -8.522 5.852 1.00 0.00 C ATOM 397 O4' C A 13 1.787 -7.393 5.198 1.00 0.00 O ATOM 398 C3' C A 13 2.095 -9.683 4.913 1.00 0.00 C ATOM 399 O3' C A 13 1.991 -10.882 5.685 1.00 0.00 O ATOM 400 C2' C A 13 0.719 -9.355 4.351 1.00 0.00 C ATOM 401 O2' C A 13 -0.321 -9.904 5.168 1.00 0.00 O ATOM 402 C1' C A 13 0.692 -7.823 4.369 1.00 0.00 C ATOM 403 N1 C A 13 0.816 -7.283 3.002 1.00 0.00 N ATOM 404 C2 C A 13 -0.351 -7.129 2.271 1.00 0.00 C ATOM 405 O2 C A 13 -1.433 -7.436 2.768 1.00 0.00 O ATOM 406 N3 C A 13 -0.260 -6.639 1.005 1.00 0.00 N ATOM 407 C4 C A 13 0.927 -6.311 0.478 1.00 0.00 C ATOM 408 N4 C A 13 0.979 -5.833 -0.765 1.00 0.00 N ATOM 409 C5 C A 13 2.135 -6.467 1.229 1.00 0.00 C ATOM 410 C6 C A 13 2.033 -6.955 2.482 1.00 0.00 C ATOM 0 H5' C A 13 3.994 -7.640 6.939 1.00 0.00 H new ATOM 0 H5'' C A 13 4.293 -9.283 6.407 1.00 0.00 H new ATOM 0 H4' C A 13 1.921 -8.686 6.837 1.00 0.00 H new ATOM 0 H3' C A 13 2.866 -9.820 4.155 1.00 0.00 H new ATOM 0 H2' C A 13 0.552 -9.773 3.358 1.00 0.00 H new ATOM 0 HO2' C A 13 0.049 -10.610 5.738 1.00 0.00 H new ATOM 0 H1' C A 13 -0.254 -7.456 4.767 1.00 0.00 H new ATOM 0 H41 C A 13 1.877 -5.580 -1.177 1.00 0.00 H new ATOM 0 H42 C A 13 0.121 -5.720 -1.304 1.00 0.00 H new ATOM 0 H5 C A 13 3.094 -6.203 0.808 1.00 0.00 H new ATOM 0 H6 C A 13 2.923 -7.087 3.079 1.00 0.00 H new ATOM 422 P C A 14 2.344 -12.310 5.028 1.00 0.00 P ATOM 423 OP1 C A 14 2.379 -13.320 6.108 1.00 0.00 O ATOM 424 OP2 C A 14 3.517 -12.135 4.143 1.00 0.00 O ATOM 425 O5' C A 14 1.056 -12.606 4.107 1.00 0.00 O ATOM 426 C5' C A 14 -0.071 -13.309 4.638 1.00 0.00 C ATOM 427 C4' C A 14 -1.238 -13.336 3.655 1.00 0.00 C ATOM 428 O4' C A 14 -1.444 -12.062 3.056 1.00 0.00 O ATOM 429 C3' C A 14 -0.963 -14.280 2.499 1.00 0.00 C ATOM 430 O3' C A 14 -1.303 -15.631 2.831 1.00 0.00 O ATOM 431 C2' C A 14 -1.866 -13.729 1.406 1.00 0.00 C ATOM 432 O2' C A 14 -3.160 -14.341 1.442 1.00 0.00 O ATOM 433 C1' C A 14 -1.948 -12.234 1.725 1.00 0.00 C ATOM 434 N1 C A 14 -1.164 -11.445 0.757 1.00 0.00 N ATOM 435 C2 C A 14 -1.813 -11.016 -0.389 1.00 0.00 C ATOM 436 O2 C A 14 -2.997 -11.291 -0.564 1.00 0.00 O ATOM 437 N3 C A 14 -1.106 -10.291 -1.297 1.00 0.00 N ATOM 438 C4 C A 14 0.184 -9.999 -1.092 1.00 0.00 C ATOM 439 N4 C A 14 0.845 -9.287 -2.005 1.00 0.00 N ATOM 440 C5 C A 14 0.859 -10.440 0.090 1.00 0.00 C ATOM 441 C6 C A 14 0.150 -11.157 0.984 1.00 0.00 C ATOM 0 H5' C A 14 -0.389 -12.836 5.567 1.00 0.00 H new ATOM 0 H5'' C A 14 0.221 -14.330 4.884 1.00 0.00 H new ATOM 0 H4' C A 14 -2.104 -13.651 4.237 1.00 0.00 H new ATOM 0 H3' C A 14 0.088 -14.323 2.213 1.00 0.00 H new ATOM 0 H2' C A 14 -1.483 -13.926 0.404 1.00 0.00 H new ATOM 0 HO2' C A 14 -3.116 -15.169 1.964 1.00 0.00 H new ATOM 0 HO3' C A 14 -1.116 -16.213 2.065 1.00 0.00 H new ATOM 0 H1' C A 14 -2.977 -11.881 1.655 1.00 0.00 H new ATOM 0 H41 C A 14 1.828 -9.058 -1.860 1.00 0.00 H new ATOM 0 H42 C A 14 0.367 -8.971 -2.849 1.00 0.00 H new ATOM 0 H5 C A 14 1.900 -10.207 0.260 1.00 0.00 H new ATOM 0 H6 C A 14 0.626 -11.507 1.888 1.00 0.00 H new TER 454 C A 14