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= 0.328 USER MOD Single : A 1 G O5' : rot 180:sc= -0.393 USER MOD Single : A 2 G O2' : rot -27:sc= 0.294 USER MOD Single : A 3 U O2' : rot -13:sc= 0.331 USER MOD Single : A 4 U O2' : rot -18:sc= 0.343 USER MOD Single : A 5 C O2' : rot -14:sc= 0.419 USER MOD Single : A 6 A O2' : rot -14:sc= 0.478 USER MOD Single : A 7 G O2' : rot 18:sc= 0.271 USER MOD Single : A 8 A O2' : rot -151:sc= -7.87! USER MOD Single : A 9 A O2' : rot -9:sc= 0.59 USER MOD Single : A 10 G O2' : rot -20:sc= 0.254 USER MOD Single : A 11 A O2' : rot -27:sc= 0.278 USER MOD Single : A 12 A O2' : rot -17:sc= 0.317 USER MOD Single : A 13 C O2' : rot -13:sc= 0.361 USER MOD Single : A 14 C O2' : rot -18:sc= 0.226 USER MOD Single : A 14 C O3' : rot 180:sc= 0.195 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -3.887 -5.001 -9.597 1.00 0.00 O ATOM 2 C5' G A 1 -5.207 -5.136 -10.129 1.00 0.00 C ATOM 3 C4' G A 1 -6.007 -6.201 -9.386 1.00 0.00 C ATOM 4 O4' G A 1 -5.292 -7.441 -9.325 1.00 0.00 O ATOM 5 C3' G A 1 -6.255 -5.791 -7.942 1.00 0.00 C ATOM 6 O3' G A 1 -7.538 -5.167 -7.859 1.00 0.00 O ATOM 7 C2' G A 1 -6.321 -7.120 -7.215 1.00 0.00 C ATOM 8 O2' G A 1 -7.633 -7.690 -7.278 1.00 0.00 O ATOM 9 C1' G A 1 -5.309 -7.958 -7.985 1.00 0.00 C ATOM 10 N9 G A 1 -3.976 -7.868 -7.362 1.00 0.00 N ATOM 11 C8 G A 1 -2.855 -7.245 -7.802 1.00 0.00 C ATOM 12 N7 G A 1 -1.806 -7.298 -7.050 1.00 0.00 N ATOM 13 C5 G A 1 -2.271 -8.050 -5.966 1.00 0.00 C ATOM 14 C6 G A 1 -1.593 -8.462 -4.787 1.00 0.00 C ATOM 15 O6 G A 1 -0.428 -8.243 -4.461 1.00 0.00 O ATOM 16 N1 G A 1 -2.424 -9.203 -3.955 1.00 0.00 N ATOM 17 C2 G A 1 -3.743 -9.511 -4.218 1.00 0.00 C ATOM 18 N2 G A 1 -4.375 -10.233 -3.293 1.00 0.00 N ATOM 19 N3 G A 1 -4.388 -9.126 -5.324 1.00 0.00 N ATOM 20 C4 G A 1 -3.599 -8.403 -6.151 1.00 0.00 C ATOM 0 H5' G A 1 -5.149 -5.396 -11.186 1.00 0.00 H new ATOM 0 H5'' G A 1 -5.726 -4.179 -10.064 1.00 0.00 H new ATOM 0 H4' G A 1 -6.942 -6.312 -9.934 1.00 0.00 H new ATOM 0 H3' G A 1 -5.505 -5.107 -7.545 1.00 0.00 H new ATOM 0 H2' G A 1 -6.105 -7.046 -6.149 1.00 0.00 H new ATOM 0 HO2' G A 1 -8.275 -7.003 -7.552 1.00 0.00 H new ATOM 0 HO5' G A 1 -3.402 -4.312 -10.097 1.00 0.00 H new ATOM 0 H1' G A 1 -5.582 -9.013 -7.980 1.00 0.00 H new ATOM 0 H8 G A 1 -2.840 -6.723 -8.747 1.00 0.00 H new ATOM 0 H1 G A 1 -2.027 -9.546 -3.080 1.00 0.00 H new ATOM 0 H21 G A 1 -5.352 -10.493 -3.429 1.00 0.00 H new ATOM 0 H22 G A 1 -3.882 -10.525 -2.449 1.00 0.00 H new ATOM 33 P G A 2 -7.798 -3.978 -6.805 1.00 0.00 P ATOM 34 OP1 G A 2 -9.086 -3.332 -7.142 1.00 0.00 O ATOM 35 OP2 G A 2 -6.565 -3.165 -6.715 1.00 0.00 O ATOM 36 O5' G A 2 -7.979 -4.771 -5.416 1.00 0.00 O ATOM 37 C5' G A 2 -9.244 -5.338 -5.067 1.00 0.00 C ATOM 38 C4' G A 2 -9.212 -5.991 -3.689 1.00 0.00 C ATOM 39 O4' G A 2 -8.182 -6.980 -3.598 1.00 0.00 O ATOM 40 C3' G A 2 -8.885 -4.979 -2.606 1.00 0.00 C ATOM 41 O3' G A 2 -10.103 -4.398 -2.136 1.00 0.00 O ATOM 42 C2' G A 2 -8.309 -5.853 -1.509 1.00 0.00 C ATOM 43 O2' G A 2 -9.342 -6.434 -0.704 1.00 0.00 O ATOM 44 C1' G A 2 -7.554 -6.914 -2.304 1.00 0.00 C ATOM 45 N9 G A 2 -6.127 -6.555 -2.421 1.00 0.00 N ATOM 46 C8 G A 2 -5.458 -5.986 -3.454 1.00 0.00 C ATOM 47 N7 G A 2 -4.198 -5.753 -3.296 1.00 0.00 N ATOM 48 C5 G A 2 -3.982 -6.219 -1.994 1.00 0.00 C ATOM 49 C6 G A 2 -2.789 -6.244 -1.223 1.00 0.00 C ATOM 50 O6 G A 2 -1.668 -5.853 -1.538 1.00 0.00 O ATOM 51 N1 G A 2 -3.008 -6.795 0.035 1.00 0.00 N ATOM 52 C2 G A 2 -4.221 -7.266 0.497 1.00 0.00 C ATOM 53 N2 G A 2 -4.229 -7.760 1.735 1.00 0.00 N ATOM 54 N3 G A 2 -5.347 -7.245 -0.224 1.00 0.00 N ATOM 55 C4 G A 2 -5.160 -6.712 -1.452 1.00 0.00 C ATOM 0 H5' G A 2 -9.528 -6.079 -5.814 1.00 0.00 H new ATOM 0 H5'' G A 2 -10.008 -4.560 -5.083 1.00 0.00 H new ATOM 0 H4' G A 2 -10.201 -6.428 -3.552 1.00 0.00 H new ATOM 0 H3' G A 2 -8.224 -4.176 -2.932 1.00 0.00 H new ATOM 0 H2' G A 2 -7.682 -5.310 -0.802 1.00 0.00 H new ATOM 0 HO2' G A 2 -10.131 -5.853 -0.716 1.00 0.00 H new ATOM 0 H1' G A 2 -7.593 -7.884 -1.808 1.00 0.00 H new ATOM 0 H8 G A 2 -5.961 -5.737 -4.376 1.00 0.00 H new ATOM 0 H1 G A 2 -2.209 -6.856 0.666 1.00 0.00 H new ATOM 0 H21 G A 2 -5.095 -8.123 2.133 1.00 0.00 H new ATOM 0 H22 G A 2 -3.369 -7.775 2.284 1.00 0.00 H new ATOM 67 P U A 3 -10.185 -2.817 -1.845 1.00 0.00 P ATOM 68 OP1 U A 3 -11.607 -2.455 -1.651 1.00 0.00 O ATOM 69 OP2 U A 3 -9.378 -2.115 -2.867 1.00 0.00 O ATOM 70 O5' U A 3 -9.433 -2.679 -0.427 1.00 0.00 O ATOM 71 C5' U A 3 -10.169 -2.779 0.794 1.00 0.00 C ATOM 72 C4' U A 3 -9.256 -3.011 1.996 1.00 0.00 C ATOM 73 O4' U A 3 -8.241 -3.976 1.717 1.00 0.00 O ATOM 74 C3' U A 3 -8.494 -1.756 2.368 1.00 0.00 C ATOM 75 O3' U A 3 -9.299 -0.969 3.248 1.00 0.00 O ATOM 76 C2' U A 3 -7.321 -2.312 3.156 1.00 0.00 C ATOM 77 O2' U A 3 -7.662 -2.512 4.532 1.00 0.00 O ATOM 78 C1' U A 3 -7.046 -3.639 2.447 1.00 0.00 C ATOM 79 N1 U A 3 -5.887 -3.510 1.545 1.00 0.00 N ATOM 80 C2 U A 3 -4.630 -3.571 2.117 1.00 0.00 C ATOM 81 O2 U A 3 -4.469 -3.740 3.324 1.00 0.00 O ATOM 82 N3 U A 3 -3.561 -3.428 1.252 1.00 0.00 N ATOM 83 C4 U A 3 -3.640 -3.231 -0.117 1.00 0.00 C ATOM 84 O4 U A 3 -2.619 -3.116 -0.792 1.00 0.00 O ATOM 85 C5 U A 3 -4.991 -3.182 -0.627 1.00 0.00 C ATOM 86 C6 U A 3 -6.054 -3.320 0.202 1.00 0.00 C ATOM 0 H5' U A 3 -10.885 -3.597 0.720 1.00 0.00 H new ATOM 0 H5'' U A 3 -10.744 -1.866 0.947 1.00 0.00 H new ATOM 0 H4' U A 3 -9.922 -3.341 2.793 1.00 0.00 H new ATOM 0 H3' U A 3 -8.212 -1.138 1.515 1.00 0.00 H new ATOM 0 H2' U A 3 -6.458 -1.646 3.178 1.00 0.00 H new ATOM 0 HO2' U A 3 -8.512 -2.064 4.727 1.00 0.00 H new ATOM 0 H1' U A 3 -6.802 -4.425 3.161 1.00 0.00 H new ATOM 0 H3 U A 3 -2.627 -3.472 1.660 1.00 0.00 H new ATOM 0 H5 U A 3 -5.156 -3.033 -1.684 1.00 0.00 H new ATOM 0 H6 U A 3 -7.053 -3.279 -0.207 1.00 0.00 H new ATOM 97 P U A 4 -9.164 0.635 3.251 1.00 0.00 P ATOM 98 OP1 U A 4 -10.258 1.190 4.080 1.00 0.00 O ATOM 99 OP2 U A 4 -8.996 1.088 1.853 1.00 0.00 O ATOM 100 O5' U A 4 -7.773 0.871 4.028 1.00 0.00 O ATOM 101 C5' U A 4 -7.745 0.920 5.456 1.00 0.00 C ATOM 102 C4' U A 4 -6.337 1.171 5.988 1.00 0.00 C ATOM 103 O4' U A 4 -5.410 0.188 5.526 1.00 0.00 O ATOM 104 C3' U A 4 -5.778 2.485 5.487 1.00 0.00 C ATOM 105 O3' U A 4 -6.196 3.531 6.367 1.00 0.00 O ATOM 106 C2' U A 4 -4.283 2.285 5.651 1.00 0.00 C ATOM 107 O2' U A 4 -3.851 2.618 6.976 1.00 0.00 O ATOM 108 C1' U A 4 -4.114 0.792 5.368 1.00 0.00 C ATOM 109 N1 U A 4 -3.586 0.579 4.008 1.00 0.00 N ATOM 110 C2 U A 4 -2.216 0.633 3.846 1.00 0.00 C ATOM 111 O2 U A 4 -1.455 0.850 4.787 1.00 0.00 O ATOM 112 N3 U A 4 -1.746 0.433 2.562 1.00 0.00 N ATOM 113 C4 U A 4 -2.518 0.185 1.439 1.00 0.00 C ATOM 114 O4 U A 4 -1.991 0.020 0.341 1.00 0.00 O ATOM 115 C5 U A 4 -3.939 0.146 1.701 1.00 0.00 C ATOM 116 C6 U A 4 -4.422 0.339 2.952 1.00 0.00 C ATOM 0 H5' U A 4 -8.124 -0.019 5.859 1.00 0.00 H new ATOM 0 H5'' U A 4 -8.411 1.709 5.806 1.00 0.00 H new ATOM 0 H4' U A 4 -6.441 1.154 7.073 1.00 0.00 H new ATOM 0 H3' U A 4 -6.089 2.743 4.474 1.00 0.00 H new ATOM 0 H2' U A 4 -3.688 2.921 4.995 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.530 3.175 7.411 1.00 0.00 H new ATOM 0 H1' U A 4 -3.398 0.341 6.055 1.00 0.00 H new ATOM 0 H3 U A 4 -0.735 0.472 2.429 1.00 0.00 H new ATOM 0 H5 U A 4 -4.625 -0.040 0.888 1.00 0.00 H new ATOM 0 H6 U A 4 -5.488 0.303 3.119 1.00 0.00 H new ATOM 127 P C A 5 -6.416 5.024 5.805 1.00 0.00 P ATOM 128 OP1 C A 5 -6.946 5.858 6.906 1.00 0.00 O ATOM 129 OP2 C A 5 -7.156 4.932 4.527 1.00 0.00 O ATOM 130 O5' C A 5 -4.913 5.505 5.485 1.00 0.00 O ATOM 131 C5' C A 5 -4.133 6.155 6.492 1.00 0.00 C ATOM 132 C4' C A 5 -2.701 6.411 6.028 1.00 0.00 C ATOM 133 O4' C A 5 -2.118 5.250 5.443 1.00 0.00 O ATOM 134 C3' C A 5 -2.652 7.456 4.931 1.00 0.00 C ATOM 135 O3' C A 5 -2.560 8.749 5.533 1.00 0.00 O ATOM 136 C2' C A 5 -1.332 7.156 4.238 1.00 0.00 C ATOM 137 O2' C A 5 -0.254 7.892 4.829 1.00 0.00 O ATOM 138 C1' C A 5 -1.158 5.649 4.449 1.00 0.00 C ATOM 139 N1 C A 5 -1.367 4.924 3.182 1.00 0.00 N ATOM 140 C2 C A 5 -0.277 4.795 2.337 1.00 0.00 C ATOM 141 O2 C A 5 0.812 5.264 2.662 1.00 0.00 O ATOM 142 N3 C A 5 -0.448 4.141 1.155 1.00 0.00 N ATOM 143 C4 C A 5 -1.642 3.636 0.817 1.00 0.00 C ATOM 144 N4 C A 5 -1.778 3.003 -0.348 1.00 0.00 N ATOM 145 C5 C A 5 -2.771 3.768 1.687 1.00 0.00 C ATOM 146 C6 C A 5 -2.589 4.416 2.854 1.00 0.00 C ATOM 0 H5' C A 5 -4.118 5.541 7.392 1.00 0.00 H new ATOM 0 H5'' C A 5 -4.602 7.102 6.760 1.00 0.00 H new ATOM 0 H4' C A 5 -2.166 6.727 6.923 1.00 0.00 H new ATOM 0 H3' C A 5 -3.517 7.439 4.268 1.00 0.00 H new ATOM 0 H2' C A 5 -1.330 7.441 3.186 1.00 0.00 H new ATOM 0 HO2' C A 5 -0.616 8.599 5.402 1.00 0.00 H new ATOM 0 H1' C A 5 -0.148 5.414 4.784 1.00 0.00 H new ATOM 0 H41 C A 5 -2.683 2.615 -0.615 1.00 0.00 H new ATOM 0 H42 C A 5 -0.977 2.907 -0.973 1.00 0.00 H new ATOM 0 H5 C A 5 -3.735 3.362 1.417 1.00 0.00 H new ATOM 0 H6 C A 5 -3.418 4.534 3.536 1.00 0.00 H new ATOM 158 P A A 6 -2.797 10.075 4.648 1.00 0.00 P ATOM 159 OP1 A A 6 -2.094 11.202 5.303 1.00 0.00 O ATOM 160 OP2 A A 6 -4.243 10.181 4.351 1.00 0.00 O ATOM 161 O5' A A 6 -2.025 9.726 3.278 1.00 0.00 O ATOM 162 C5' A A 6 -1.156 10.687 2.672 1.00 0.00 C ATOM 163 C4' A A 6 -0.236 10.044 1.635 1.00 0.00 C ATOM 164 O4' A A 6 -0.343 8.620 1.653 1.00 0.00 O ATOM 165 C3' A A 6 -0.614 10.460 0.224 1.00 0.00 C ATOM 166 O3' A A 6 0.143 11.625 -0.119 1.00 0.00 O ATOM 167 C2' A A 6 -0.118 9.300 -0.622 1.00 0.00 C ATOM 168 O2' A A 6 1.245 9.489 -1.017 1.00 0.00 O ATOM 169 C1' A A 6 -0.264 8.101 0.316 1.00 0.00 C ATOM 170 N9 A A 6 -1.466 7.311 -0.015 1.00 0.00 N ATOM 171 C8 A A 6 -2.655 7.230 0.631 1.00 0.00 C ATOM 172 N7 A A 6 -3.551 6.443 0.137 1.00 0.00 N ATOM 173 C5 A A 6 -2.887 5.927 -0.981 1.00 0.00 C ATOM 174 C6 A A 6 -3.268 5.014 -1.973 1.00 0.00 C ATOM 175 N6 A A 6 -4.465 4.428 -2.004 1.00 0.00 N ATOM 176 N1 A A 6 -2.367 4.729 -2.930 1.00 0.00 N ATOM 177 C2 A A 6 -1.163 5.306 -2.918 1.00 0.00 C ATOM 178 N3 A A 6 -0.700 6.180 -2.029 1.00 0.00 N ATOM 179 C4 A A 6 -1.619 6.451 -1.081 1.00 0.00 C ATOM 0 H5' A A 6 -0.555 11.170 3.442 1.00 0.00 H new ATOM 0 H5'' A A 6 -1.751 11.467 2.197 1.00 0.00 H new ATOM 0 H4' A A 6 0.771 10.373 1.894 1.00 0.00 H new ATOM 0 H3' A A 6 -1.675 10.675 0.097 1.00 0.00 H new ATOM 0 H2' A A 6 -0.671 9.184 -1.554 1.00 0.00 H new ATOM 0 HO2' A A 6 1.508 10.418 -0.851 1.00 0.00 H new ATOM 0 H1' A A 6 0.588 7.429 0.213 1.00 0.00 H new ATOM 0 H8 A A 6 -2.846 7.803 1.526 1.00 0.00 H new ATOM 0 H61 A A 6 -4.691 3.770 -2.750 1.00 0.00 H new ATOM 0 H62 A A 6 -5.154 4.638 -1.282 1.00 0.00 H new ATOM 0 H2 A A 6 -0.491 5.033 -3.718 1.00 0.00 H new ATOM 191 P G A 7 -0.547 12.852 -0.904 1.00 0.00 P ATOM 192 OP1 G A 7 0.526 13.695 -1.476 1.00 0.00 O ATOM 193 OP2 G A 7 -1.565 13.456 -0.015 1.00 0.00 O ATOM 194 O5' G A 7 -1.310 12.116 -2.117 1.00 0.00 O ATOM 195 C5' G A 7 -0.595 11.709 -3.286 1.00 0.00 C ATOM 196 C4' G A 7 -1.402 10.718 -4.117 1.00 0.00 C ATOM 197 O4' G A 7 -2.004 9.722 -3.286 1.00 0.00 O ATOM 198 C3' G A 7 -2.544 11.416 -4.864 1.00 0.00 C ATOM 199 O3' G A 7 -2.570 10.913 -6.205 1.00 0.00 O ATOM 200 C2' G A 7 -3.803 10.935 -4.156 1.00 0.00 C ATOM 201 O2' G A 7 -4.910 10.837 -5.059 1.00 0.00 O ATOM 202 C1' G A 7 -3.373 9.573 -3.647 1.00 0.00 C ATOM 203 N9 G A 7 -4.183 9.138 -2.495 1.00 0.00 N ATOM 204 C8 G A 7 -4.825 7.964 -2.296 1.00 0.00 C ATOM 205 N7 G A 7 -5.469 7.811 -1.189 1.00 0.00 N ATOM 206 C5 G A 7 -5.236 9.035 -0.553 1.00 0.00 C ATOM 207 C6 G A 7 -5.679 9.499 0.715 1.00 0.00 C ATOM 208 O6 G A 7 -6.376 8.912 1.540 1.00 0.00 O ATOM 209 N1 G A 7 -5.223 10.785 0.975 1.00 0.00 N ATOM 210 C2 G A 7 -4.436 11.537 0.124 1.00 0.00 C ATOM 211 N2 G A 7 -4.099 12.752 0.554 1.00 0.00 N ATOM 212 N3 G A 7 -4.015 11.107 -1.071 1.00 0.00 N ATOM 213 C4 G A 7 -4.448 9.856 -1.347 1.00 0.00 C ATOM 0 H5' G A 7 0.352 11.255 -2.995 1.00 0.00 H new ATOM 0 H5'' G A 7 -0.357 12.584 -3.891 1.00 0.00 H new ATOM 0 H4' G A 7 -0.701 10.268 -4.820 1.00 0.00 H new ATOM 0 H3' G A 7 -2.447 12.502 -4.880 1.00 0.00 H new ATOM 0 H2' G A 7 -4.151 11.607 -3.371 1.00 0.00 H new ATOM 0 HO2' G A 7 -4.579 10.817 -5.981 1.00 0.00 H new ATOM 0 H1' G A 7 -3.513 8.804 -4.407 1.00 0.00 H new ATOM 0 H8 G A 7 -4.799 7.181 -3.039 1.00 0.00 H new ATOM 0 H1 G A 7 -5.490 11.207 1.864 1.00 0.00 H new ATOM 0 H21 G A 7 -3.519 13.356 -0.028 1.00 0.00 H new ATOM 0 H22 G A 7 -4.421 13.078 1.465 1.00 0.00 H new ATOM 225 P A A 8 -2.223 11.874 -7.450 1.00 0.00 P ATOM 226 OP1 A A 8 -0.964 12.589 -7.146 1.00 0.00 O ATOM 227 OP2 A A 8 -3.441 12.641 -7.795 1.00 0.00 O ATOM 228 O5' A A 8 -1.934 10.828 -8.643 1.00 0.00 O ATOM 229 C5' A A 8 -1.861 9.421 -8.384 1.00 0.00 C ATOM 230 C4' A A 8 -0.835 8.737 -9.284 1.00 0.00 C ATOM 231 O4' A A 8 0.450 9.372 -9.187 1.00 0.00 O ATOM 232 C3' A A 8 -0.605 7.293 -8.849 1.00 0.00 C ATOM 233 O3' A A 8 -0.124 6.555 -9.979 1.00 0.00 O ATOM 234 C2' A A 8 0.532 7.435 -7.864 1.00 0.00 C ATOM 235 O2' A A 8 1.229 6.202 -7.675 1.00 0.00 O ATOM 236 C1' A A 8 1.386 8.471 -8.572 1.00 0.00 C ATOM 237 N9 A A 8 2.272 9.174 -7.628 1.00 0.00 N ATOM 238 C8 A A 8 1.974 9.817 -6.475 1.00 0.00 C ATOM 239 N7 A A 8 2.950 10.361 -5.825 1.00 0.00 N ATOM 240 C5 A A 8 4.040 10.043 -6.642 1.00 0.00 C ATOM 241 C6 A A 8 5.410 10.317 -6.547 1.00 0.00 C ATOM 242 N6 A A 8 5.950 11.005 -5.542 1.00 0.00 N ATOM 243 N1 A A 8 6.204 9.853 -7.531 1.00 0.00 N ATOM 244 C2 A A 8 5.685 9.162 -8.547 1.00 0.00 C ATOM 245 N3 A A 8 4.408 8.848 -8.735 1.00 0.00 N ATOM 246 C4 A A 8 3.634 9.322 -7.740 1.00 0.00 C ATOM 0 H5' A A 8 -2.841 8.970 -8.540 1.00 0.00 H new ATOM 0 H5'' A A 8 -1.597 9.256 -7.339 1.00 0.00 H new ATOM 0 H4' A A 8 -1.236 8.798 -10.296 1.00 0.00 H new ATOM 0 H3' A A 8 -1.490 6.797 -8.451 1.00 0.00 H new ATOM 0 H2' A A 8 0.227 7.715 -6.856 1.00 0.00 H new ATOM 0 HO2' A A 8 1.612 6.178 -6.773 1.00 0.00 H new ATOM 0 H1' A A 8 2.049 8.015 -9.307 1.00 0.00 H new ATOM 0 H8 A A 8 0.959 9.874 -6.112 1.00 0.00 H new ATOM 0 H61 A A 8 6.955 11.176 -5.523 1.00 0.00 H new ATOM 0 H62 A A 8 5.358 11.361 -4.792 1.00 0.00 H new ATOM 0 H2 A A 8 6.380 8.820 -9.300 1.00 0.00 H new ATOM 258 P A A 9 -0.462 4.991 -10.151 1.00 0.00 P ATOM 259 OP1 A A 9 -1.250 4.821 -11.393 1.00 0.00 O ATOM 260 OP2 A A 9 -0.991 4.487 -8.864 1.00 0.00 O ATOM 261 O5' A A 9 0.995 4.340 -10.386 1.00 0.00 O ATOM 262 C5' A A 9 1.773 3.887 -9.274 1.00 0.00 C ATOM 263 C4' A A 9 3.171 4.511 -9.271 1.00 0.00 C ATOM 264 O4' A A 9 3.107 5.825 -8.697 1.00 0.00 O ATOM 265 C3' A A 9 4.143 3.706 -8.400 1.00 0.00 C ATOM 266 O3' A A 9 5.129 3.099 -9.234 1.00 0.00 O ATOM 267 C2' A A 9 4.895 4.752 -7.590 1.00 0.00 C ATOM 268 O2' A A 9 6.129 5.112 -8.222 1.00 0.00 O ATOM 269 C1' A A 9 3.945 5.924 -7.538 1.00 0.00 C ATOM 270 N9 A A 9 3.188 5.899 -6.266 1.00 0.00 N ATOM 271 C8 A A 9 2.269 5.012 -5.801 1.00 0.00 C ATOM 272 N7 A A 9 1.818 5.190 -4.606 1.00 0.00 N ATOM 273 C5 A A 9 2.512 6.334 -4.210 1.00 0.00 C ATOM 274 C6 A A 9 2.511 7.080 -3.027 1.00 0.00 C ATOM 275 N6 A A 9 1.757 6.774 -1.971 1.00 0.00 N ATOM 276 N1 A A 9 3.319 8.152 -2.973 1.00 0.00 N ATOM 277 C2 A A 9 4.082 8.473 -4.017 1.00 0.00 C ATOM 278 N3 A A 9 4.161 7.840 -5.182 1.00 0.00 N ATOM 279 C4 A A 9 3.345 6.772 -5.213 1.00 0.00 C ATOM 0 H5' A A 9 1.859 2.801 -9.308 1.00 0.00 H new ATOM 0 H5'' A A 9 1.261 4.137 -8.345 1.00 0.00 H new ATOM 0 H4' A A 9 3.517 4.529 -10.304 1.00 0.00 H new ATOM 0 H3' A A 9 3.618 2.956 -7.809 1.00 0.00 H new ATOM 0 H2' A A 9 5.172 4.393 -6.599 1.00 0.00 H new ATOM 0 HO2' A A 9 6.304 4.503 -8.969 1.00 0.00 H new ATOM 0 H1' A A 9 4.464 6.883 -7.556 1.00 0.00 H new ATOM 0 H8 A A 9 1.929 4.188 -6.410 1.00 0.00 H new ATOM 0 H61 A A 9 1.795 7.353 -1.132 1.00 0.00 H new ATOM 0 H62 A A 9 1.142 5.961 -2.002 1.00 0.00 H new ATOM 0 H2 A A 9 4.707 9.347 -3.903 1.00 0.00 H new ATOM 291 P G A 10 5.949 1.819 -8.698 1.00 0.00 P ATOM 292 OP1 G A 10 7.238 1.760 -9.423 1.00 0.00 O ATOM 293 OP2 G A 10 5.042 0.650 -8.710 1.00 0.00 O ATOM 294 O5' G A 10 6.252 2.207 -7.158 1.00 0.00 O ATOM 295 C5' G A 10 7.599 2.420 -6.717 1.00 0.00 C ATOM 296 C4' G A 10 7.664 3.038 -5.316 1.00 0.00 C ATOM 297 O4' G A 10 6.658 4.041 -5.124 1.00 0.00 O ATOM 298 C3' G A 10 7.395 2.011 -4.232 1.00 0.00 C ATOM 299 O3' G A 10 8.626 1.379 -3.872 1.00 0.00 O ATOM 300 C2' G A 10 6.951 2.888 -3.079 1.00 0.00 C ATOM 301 O2' G A 10 8.067 3.487 -2.411 1.00 0.00 O ATOM 302 C1' G A 10 6.104 3.926 -3.797 1.00 0.00 C ATOM 303 N9 G A 10 4.690 3.498 -3.831 1.00 0.00 N ATOM 304 C8 G A 10 4.012 2.819 -4.789 1.00 0.00 C ATOM 305 N7 G A 10 2.773 2.538 -4.561 1.00 0.00 N ATOM 306 C5 G A 10 2.585 3.094 -3.292 1.00 0.00 C ATOM 307 C6 G A 10 1.422 3.122 -2.476 1.00 0.00 C ATOM 308 O6 G A 10 0.310 2.653 -2.714 1.00 0.00 O ATOM 309 N1 G A 10 1.657 3.779 -1.274 1.00 0.00 N ATOM 310 C2 G A 10 2.862 4.343 -0.900 1.00 0.00 C ATOM 311 N2 G A 10 2.891 4.932 0.295 1.00 0.00 N ATOM 312 N3 G A 10 3.960 4.320 -1.662 1.00 0.00 N ATOM 313 C4 G A 10 3.754 3.685 -2.839 1.00 0.00 C ATOM 0 H5' G A 10 8.111 3.073 -7.424 1.00 0.00 H new ATOM 0 H5'' G A 10 8.133 1.470 -6.717 1.00 0.00 H new ATOM 0 H4' G A 10 8.669 3.453 -5.244 1.00 0.00 H new ATOM 0 H3' G A 10 6.684 1.235 -4.517 1.00 0.00 H new ATOM 0 H2' G A 10 6.422 2.351 -2.291 1.00 0.00 H new ATOM 0 HO2' G A 10 8.879 2.976 -2.609 1.00 0.00 H new ATOM 0 H1' G A 10 6.121 4.890 -3.289 1.00 0.00 H new ATOM 0 H8 G A 10 4.492 2.524 -5.710 1.00 0.00 H new ATOM 0 H1 G A 10 0.880 3.850 -0.617 1.00 0.00 H new ATOM 0 H21 G A 10 3.751 5.367 0.628 1.00 0.00 H new ATOM 0 H22 G A 10 2.053 4.948 0.876 1.00 0.00 H new ATOM 325 P A A 11 8.630 -0.144 -3.344 1.00 0.00 P ATOM 326 OP1 A A 11 10.025 -0.638 -3.370 1.00 0.00 O ATOM 327 OP2 A A 11 7.571 -0.885 -4.063 1.00 0.00 O ATOM 328 O5' A A 11 8.180 0.012 -1.804 1.00 0.00 O ATOM 329 C5' A A 11 9.159 0.198 -0.780 1.00 0.00 C ATOM 330 C4' A A 11 8.518 0.489 0.575 1.00 0.00 C ATOM 331 O4' A A 11 7.484 1.473 0.472 1.00 0.00 O ATOM 332 C3' A A 11 7.830 -0.741 1.142 1.00 0.00 C ATOM 333 O3' A A 11 8.777 -1.493 1.905 1.00 0.00 O ATOM 334 C2' A A 11 6.819 -0.134 2.092 1.00 0.00 C ATOM 335 O2' A A 11 7.414 0.196 3.354 1.00 0.00 O ATOM 336 C1' A A 11 6.386 1.116 1.334 1.00 0.00 C ATOM 337 N9 A A 11 5.160 0.850 0.557 1.00 0.00 N ATOM 338 C8 A A 11 5.015 0.553 -0.759 1.00 0.00 C ATOM 339 N7 A A 11 3.817 0.344 -1.194 1.00 0.00 N ATOM 340 C5 A A 11 3.061 0.521 -0.032 1.00 0.00 C ATOM 341 C6 A A 11 1.689 0.444 0.228 1.00 0.00 C ATOM 342 N6 A A 11 0.785 0.155 -0.708 1.00 0.00 N ATOM 343 N1 A A 11 1.283 0.676 1.488 1.00 0.00 N ATOM 344 C2 A A 11 2.171 0.967 2.441 1.00 0.00 C ATOM 345 N3 A A 11 3.489 1.066 2.308 1.00 0.00 N ATOM 346 C4 A A 11 3.872 0.830 1.037 1.00 0.00 C ATOM 0 H5' A A 11 9.819 1.021 -1.054 1.00 0.00 H new ATOM 0 H5'' A A 11 9.779 -0.695 -0.704 1.00 0.00 H new ATOM 0 H4' A A 11 9.337 0.828 1.210 1.00 0.00 H new ATOM 0 H3' A A 11 7.400 -1.398 0.386 1.00 0.00 H new ATOM 0 H2' A A 11 5.996 -0.803 2.344 1.00 0.00 H new ATOM 0 HO2' A A 11 8.180 -0.393 3.519 1.00 0.00 H new ATOM 0 H1' A A 11 6.152 1.934 2.016 1.00 0.00 H new ATOM 0 H8 A A 11 5.869 0.494 -1.418 1.00 0.00 H new ATOM 0 H61 A A 11 -0.205 0.111 -0.465 1.00 0.00 H new ATOM 0 H62 A A 11 1.083 -0.023 -1.667 1.00 0.00 H new ATOM 0 H2 A A 11 1.774 1.141 3.430 1.00 0.00 H new ATOM 358 P A A 12 8.695 -3.102 1.938 1.00 0.00 P ATOM 359 OP1 A A 12 9.908 -3.613 2.614 1.00 0.00 O ATOM 360 OP2 A A 12 8.354 -3.576 0.577 1.00 0.00 O ATOM 361 O5' A A 12 7.430 -3.375 2.897 1.00 0.00 O ATOM 362 C5' A A 12 7.611 -3.518 4.309 1.00 0.00 C ATOM 363 C4' A A 12 6.277 -3.618 5.047 1.00 0.00 C ATOM 364 O4' A A 12 5.358 -2.613 4.619 1.00 0.00 O ATOM 365 C3' A A 12 5.574 -4.929 4.751 1.00 0.00 C ATOM 366 O3' A A 12 6.036 -5.921 5.672 1.00 0.00 O ATOM 367 C2' A A 12 4.129 -4.602 5.079 1.00 0.00 C ATOM 368 O2' A A 12 3.855 -4.775 6.475 1.00 0.00 O ATOM 369 C1' A A 12 4.016 -3.135 4.665 1.00 0.00 C ATOM 370 N9 A A 12 3.348 -3.017 3.354 1.00 0.00 N ATOM 371 C8 A A 12 3.881 -2.833 2.121 1.00 0.00 C ATOM 372 N7 A A 12 3.065 -2.781 1.120 1.00 0.00 N ATOM 373 C5 A A 12 1.830 -2.951 1.755 1.00 0.00 C ATOM 374 C6 A A 12 0.516 -2.997 1.276 1.00 0.00 C ATOM 375 N6 A A 12 0.205 -2.872 -0.015 1.00 0.00 N ATOM 376 N1 A A 12 -0.465 -3.179 2.176 1.00 0.00 N ATOM 377 C2 A A 12 -0.177 -3.307 3.472 1.00 0.00 C ATOM 378 N3 A A 12 1.028 -3.277 4.034 1.00 0.00 N ATOM 379 C4 A A 12 1.994 -3.094 3.113 1.00 0.00 C ATOM 0 H5' A A 12 8.174 -2.667 4.691 1.00 0.00 H new ATOM 0 H5'' A A 12 8.205 -4.409 4.510 1.00 0.00 H new ATOM 0 H4' A A 12 6.530 -3.516 6.102 1.00 0.00 H new ATOM 0 H3' A A 12 5.733 -5.300 3.738 1.00 0.00 H new ATOM 0 H2' A A 12 3.414 -5.251 4.572 1.00 0.00 H new ATOM 0 HO2' A A 12 4.565 -5.313 6.883 1.00 0.00 H new ATOM 0 H1' A A 12 3.412 -2.569 5.374 1.00 0.00 H new ATOM 0 H8 A A 12 4.947 -2.734 1.981 1.00 0.00 H new ATOM 0 H61 A A 12 -0.770 -2.913 -0.311 1.00 0.00 H new ATOM 0 H62 A A 12 0.942 -2.735 -0.706 1.00 0.00 H new ATOM 0 H2 A A 12 -1.015 -3.451 4.138 1.00 0.00 H new ATOM 391 P C A 13 6.120 -7.465 5.222 1.00 0.00 P ATOM 392 OP1 C A 13 6.778 -8.228 6.307 1.00 0.00 O ATOM 393 OP2 C A 13 6.668 -7.518 3.848 1.00 0.00 O ATOM 394 O5' C A 13 4.571 -7.905 5.165 1.00 0.00 O ATOM 395 C5' C A 13 3.929 -8.444 6.322 1.00 0.00 C ATOM 396 C4' C A 13 2.445 -8.712 6.077 1.00 0.00 C ATOM 397 O4' C A 13 1.783 -7.566 5.542 1.00 0.00 O ATOM 398 C3' C A 13 2.242 -9.798 5.040 1.00 0.00 C ATOM 399 O3' C A 13 2.221 -11.066 5.702 1.00 0.00 O ATOM 400 C2' C A 13 0.845 -9.505 4.519 1.00 0.00 C ATOM 401 O2' C A 13 -0.157 -10.146 5.317 1.00 0.00 O ATOM 402 C1' C A 13 0.755 -7.982 4.627 1.00 0.00 C ATOM 403 N1 C A 13 0.934 -7.356 3.304 1.00 0.00 N ATOM 404 C2 C A 13 -0.198 -7.183 2.523 1.00 0.00 C ATOM 405 O2 C A 13 -1.296 -7.538 2.945 1.00 0.00 O ATOM 406 N3 C A 13 -0.053 -6.617 1.294 1.00 0.00 N ATOM 407 C4 C A 13 1.151 -6.236 0.850 1.00 0.00 C ATOM 408 N4 C A 13 1.257 -5.685 -0.359 1.00 0.00 N ATOM 409 C5 C A 13 2.322 -6.412 1.653 1.00 0.00 C ATOM 410 C6 C A 13 2.168 -6.973 2.867 1.00 0.00 C ATOM 0 H5' C A 13 4.040 -7.750 7.155 1.00 0.00 H new ATOM 0 H5'' C A 13 4.422 -9.372 6.612 1.00 0.00 H new ATOM 0 H4' C A 13 2.041 -8.995 7.049 1.00 0.00 H new ATOM 0 H3' C A 13 3.011 -9.820 4.267 1.00 0.00 H new ATOM 0 H2' C A 13 0.677 -9.875 3.508 1.00 0.00 H new ATOM 0 HO2' C A 13 0.267 -10.801 5.910 1.00 0.00 H new ATOM 0 H1' C A 13 -0.225 -7.673 4.990 1.00 0.00 H new ATOM 0 H41 C A 13 2.170 -5.391 -0.707 1.00 0.00 H new ATOM 0 H42 C A 13 0.426 -5.557 -0.936 1.00 0.00 H new ATOM 0 H5 C A 13 3.295 -6.106 1.298 1.00 0.00 H new ATOM 0 H6 C A 13 3.030 -7.121 3.501 1.00 0.00 H new ATOM 422 P C A 14 2.514 -12.419 4.878 1.00 0.00 P ATOM 423 OP1 C A 14 2.579 -13.543 5.840 1.00 0.00 O ATOM 424 OP2 C A 14 3.649 -12.167 3.963 1.00 0.00 O ATOM 425 O5' C A 14 1.180 -12.587 3.992 1.00 0.00 O ATOM 426 C5' C A 14 0.063 -13.323 4.499 1.00 0.00 C ATOM 427 C4' C A 14 -1.103 -13.327 3.514 1.00 0.00 C ATOM 428 O4' C A 14 -1.355 -12.023 2.996 1.00 0.00 O ATOM 429 C3' C A 14 -0.795 -14.185 2.303 1.00 0.00 C ATOM 430 O3' C A 14 -1.079 -15.566 2.550 1.00 0.00 O ATOM 431 C2' C A 14 -1.725 -13.602 1.253 1.00 0.00 C ATOM 432 O2' C A 14 -3.014 -14.227 1.291 1.00 0.00 O ATOM 433 C1' C A 14 -1.810 -12.123 1.640 1.00 0.00 C ATOM 434 N1 C A 14 -0.982 -11.298 0.740 1.00 0.00 N ATOM 435 C2 C A 14 -1.577 -10.828 -0.420 1.00 0.00 C ATOM 436 O2 C A 14 -2.749 -11.101 -0.666 1.00 0.00 O ATOM 437 N3 C A 14 -0.828 -10.068 -1.267 1.00 0.00 N ATOM 438 C4 C A 14 0.450 -9.780 -0.986 1.00 0.00 C ATOM 439 N4 C A 14 1.154 -9.034 -1.837 1.00 0.00 N ATOM 440 C5 C A 14 1.067 -10.263 0.211 1.00 0.00 C ATOM 441 C6 C A 14 0.318 -11.013 1.042 1.00 0.00 C ATOM 0 H5' C A 14 -0.261 -12.888 5.445 1.00 0.00 H new ATOM 0 H5'' C A 14 0.367 -14.349 4.707 1.00 0.00 H new ATOM 0 H4' C A 14 -1.958 -13.707 4.073 1.00 0.00 H new ATOM 0 H3' C A 14 0.255 -14.170 2.013 1.00 0.00 H new ATOM 0 H2' C A 14 -1.366 -13.755 0.235 1.00 0.00 H new ATOM 0 HO2' C A 14 -2.952 -15.076 1.777 1.00 0.00 H new ATOM 0 HO3' C A 14 -0.871 -16.091 1.749 1.00 0.00 H new ATOM 0 H1' C A 14 -2.832 -11.754 1.549 1.00 0.00 H new ATOM 0 H41 C A 14 2.128 -8.809 -1.633 1.00 0.00 H new ATOM 0 H42 C A 14 0.719 -8.688 -2.692 1.00 0.00 H new ATOM 0 H5 C A 14 2.097 -10.034 0.440 1.00 0.00 H new ATOM 0 H6 C A 14 0.750 -11.392 1.956 1.00 0.00 H new TER 454 C A 14