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 -17:sc= 0.375 USER MOD Single : A 1 G O5' : rot 180:sc= -0.424 USER MOD Single : A 2 G O2' : rot -17:sc= 0.335 USER MOD Single : A 3 U O2' : rot -4:sc= 0.149 USER MOD Single : A 4 U O2' : rot -7:sc= 0.43 USER MOD Single : A 5 C O2' : rot -77:sc= 1.25 USER MOD Single : A 6 A O2' : rot -7:sc= -2.13! USER MOD Single : A 7 G O2' : rot 180:sc= -0.321 USER MOD Single : A 8 A O2' : rot -147:sc= -7.09! USER MOD Single : A 9 A O2' : rot 12:sc= 0.361 USER MOD Single : A 10 G O2' : rot -118:sc= 0.682 USER MOD Single : A 11 A O2' : rot -22:sc= 0.333 USER MOD Single : A 12 A O2' : rot -17:sc= 0.398 USER MOD Single : A 13 C O2' : rot -126:sc= 1.16 USER MOD Single : A 14 C O2' : rot -17:sc= 0.234 USER MOD Single : A 14 C O3' : rot 180:sc= 0.227 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -4.613 -7.830 -9.403 1.00 0.00 O ATOM 2 C5' G A 1 -6.021 -7.684 -9.611 1.00 0.00 C ATOM 3 C4' G A 1 -6.827 -8.477 -8.584 1.00 0.00 C ATOM 4 O4' G A 1 -6.234 -9.757 -8.337 1.00 0.00 O ATOM 5 C3' G A 1 -6.855 -7.761 -7.242 1.00 0.00 C ATOM 6 O3' G A 1 -8.066 -7.006 -7.162 1.00 0.00 O ATOM 7 C2' G A 1 -6.935 -8.897 -6.238 1.00 0.00 C ATOM 8 O2' G A 1 -8.290 -9.297 -6.005 1.00 0.00 O ATOM 9 C1' G A 1 -6.137 -9.998 -6.924 1.00 0.00 C ATOM 10 N9 G A 1 -4.731 -9.985 -6.479 1.00 0.00 N ATOM 11 C8 G A 1 -3.607 -9.665 -7.167 1.00 0.00 C ATOM 12 N7 G A 1 -2.482 -9.727 -6.538 1.00 0.00 N ATOM 13 C5 G A 1 -2.888 -10.138 -5.264 1.00 0.00 C ATOM 14 C6 G A 1 -2.114 -10.394 -4.099 1.00 0.00 C ATOM 15 O6 G A 1 -0.896 -10.304 -3.957 1.00 0.00 O ATOM 16 N1 G A 1 -2.913 -10.787 -3.033 1.00 0.00 N ATOM 17 C2 G A 1 -4.287 -10.921 -3.075 1.00 0.00 C ATOM 18 N2 G A 1 -4.877 -11.311 -1.945 1.00 0.00 N ATOM 19 N3 G A 1 -5.022 -10.683 -4.168 1.00 0.00 N ATOM 20 C4 G A 1 -4.265 -10.299 -5.220 1.00 0.00 C ATOM 0 H5' G A 1 -6.278 -8.022 -10.615 1.00 0.00 H new ATOM 0 H5'' G A 1 -6.291 -6.630 -9.550 1.00 0.00 H new ATOM 0 H4' G A 1 -7.829 -8.581 -8.999 1.00 0.00 H new ATOM 0 H3' G A 1 -6.006 -7.096 -7.083 1.00 0.00 H new ATOM 0 H2' G A 1 -6.551 -8.633 -5.253 1.00 0.00 H new ATOM 0 HO2' G A 1 -8.897 -8.597 -6.324 1.00 0.00 H new ATOM 0 HO5' G A 1 -4.127 -7.311 -10.078 1.00 0.00 H new ATOM 0 H1' G A 1 -6.533 -10.982 -6.671 1.00 0.00 H new ATOM 0 H8 G A 1 -3.652 -9.369 -8.205 1.00 0.00 H new ATOM 0 H1 G A 1 -2.448 -10.993 -2.149 1.00 0.00 H new ATOM 0 H21 G A 1 -5.890 -11.428 -1.913 1.00 0.00 H new ATOM 0 H22 G A 1 -4.316 -11.492 -1.113 1.00 0.00 H new ATOM 33 P G A 2 -8.116 -5.631 -6.325 1.00 0.00 P ATOM 34 OP1 G A 2 -9.309 -4.869 -6.759 1.00 0.00 O ATOM 35 OP2 G A 2 -6.777 -5.003 -6.386 1.00 0.00 O ATOM 36 O5' G A 2 -8.366 -6.144 -4.821 1.00 0.00 O ATOM 37 C5' G A 2 -9.688 -6.447 -4.367 1.00 0.00 C ATOM 38 C4' G A 2 -9.685 -6.964 -2.932 1.00 0.00 C ATOM 39 O4' G A 2 -8.720 -8.007 -2.754 1.00 0.00 O ATOM 40 C3' G A 2 -9.287 -5.869 -1.958 1.00 0.00 C ATOM 41 O3' G A 2 -10.474 -5.226 -1.491 1.00 0.00 O ATOM 42 C2' G A 2 -8.674 -6.644 -0.807 1.00 0.00 C ATOM 43 O2' G A 2 -9.672 -7.089 0.117 1.00 0.00 O ATOM 44 C1' G A 2 -8.008 -7.816 -1.519 1.00 0.00 C ATOM 45 N9 G A 2 -6.582 -7.536 -1.768 1.00 0.00 N ATOM 46 C8 G A 2 -5.966 -7.128 -2.904 1.00 0.00 C ATOM 47 N7 G A 2 -4.691 -6.937 -2.859 1.00 0.00 N ATOM 48 C5 G A 2 -4.403 -7.253 -1.527 1.00 0.00 C ATOM 49 C6 G A 2 -3.160 -7.243 -0.839 1.00 0.00 C ATOM 50 O6 G A 2 -2.049 -6.947 -1.274 1.00 0.00 O ATOM 51 N1 G A 2 -3.310 -7.628 0.488 1.00 0.00 N ATOM 52 C2 G A 2 -4.504 -7.982 1.084 1.00 0.00 C ATOM 53 N2 G A 2 -4.442 -8.323 2.372 1.00 0.00 N ATOM 54 N3 G A 2 -5.678 -7.994 0.442 1.00 0.00 N ATOM 55 C4 G A 2 -5.556 -7.622 -0.853 1.00 0.00 C ATOM 0 H5' G A 2 -10.136 -7.194 -5.022 1.00 0.00 H new ATOM 0 H5'' G A 2 -10.309 -5.553 -4.431 1.00 0.00 H new ATOM 0 H4' G A 2 -10.696 -7.323 -2.742 1.00 0.00 H new ATOM 0 H3' G A 2 -8.624 -5.117 -2.385 1.00 0.00 H new ATOM 0 H2' G A 2 -7.984 -6.053 -0.205 1.00 0.00 H new ATOM 0 HO2' G A 2 -10.497 -6.579 -0.022 1.00 0.00 H new ATOM 0 H1' G A 2 -8.046 -8.717 -0.907 1.00 0.00 H new ATOM 0 H8 G A 2 -6.523 -6.968 -3.815 1.00 0.00 H new ATOM 0 H1 G A 2 -2.471 -7.651 1.068 1.00 0.00 H new ATOM 0 H21 G A 2 -5.290 -8.595 2.869 1.00 0.00 H new ATOM 0 H22 G A 2 -3.546 -8.312 2.860 1.00 0.00 H new ATOM 67 P U A 3 -10.497 -3.634 -1.256 1.00 0.00 P ATOM 68 OP1 U A 3 -11.904 -3.211 -1.084 1.00 0.00 O ATOM 69 OP2 U A 3 -9.658 -3.000 -2.297 1.00 0.00 O ATOM 70 O5' U A 3 -9.745 -3.478 0.160 1.00 0.00 O ATOM 71 C5' U A 3 -10.455 -3.690 1.383 1.00 0.00 C ATOM 72 C4' U A 3 -9.511 -3.727 2.582 1.00 0.00 C ATOM 73 O4' U A 3 -8.446 -4.657 2.388 1.00 0.00 O ATOM 74 C3' U A 3 -8.831 -2.387 2.784 1.00 0.00 C ATOM 75 O3' U A 3 -9.649 -1.583 3.637 1.00 0.00 O ATOM 76 C2' U A 3 -7.568 -2.762 3.541 1.00 0.00 C ATOM 77 O2' U A 3 -7.798 -2.812 4.953 1.00 0.00 O ATOM 78 C1' U A 3 -7.237 -4.145 2.978 1.00 0.00 C ATOM 79 N1 U A 3 -6.155 -4.054 1.979 1.00 0.00 N ATOM 80 C2 U A 3 -4.855 -4.050 2.449 1.00 0.00 C ATOM 81 O2 U A 3 -4.592 -4.135 3.646 1.00 0.00 O ATOM 82 N3 U A 3 -3.863 -3.946 1.490 1.00 0.00 N ATOM 83 C4 U A 3 -4.057 -3.846 0.124 1.00 0.00 C ATOM 84 O4 U A 3 -3.098 -3.756 -0.641 1.00 0.00 O ATOM 85 C5 U A 3 -5.446 -3.859 -0.277 1.00 0.00 C ATOM 86 C6 U A 3 -6.434 -3.961 0.644 1.00 0.00 C ATOM 0 H5' U A 3 -11.008 -4.628 1.326 1.00 0.00 H new ATOM 0 H5'' U A 3 -11.188 -2.895 1.521 1.00 0.00 H new ATOM 0 H4' U A 3 -10.133 -4.004 3.433 1.00 0.00 H new ATOM 0 H3' U A 3 -8.649 -1.840 1.859 1.00 0.00 H new ATOM 0 H2' U A 3 -6.760 -2.041 3.416 1.00 0.00 H new ATOM 0 HO2' U A 3 -8.717 -2.532 5.145 1.00 0.00 H new ATOM 0 H1' U A 3 -6.884 -4.812 3.764 1.00 0.00 H new ATOM 0 H3 U A 3 -2.898 -3.943 1.821 1.00 0.00 H new ATOM 0 H5 U A 3 -5.699 -3.786 -1.324 1.00 0.00 H new ATOM 0 H6 U A 3 -7.463 -3.969 0.317 1.00 0.00 H new ATOM 97 P U A 4 -9.610 0.021 3.522 1.00 0.00 P ATOM 98 OP1 U A 4 -10.606 0.577 4.465 1.00 0.00 O ATOM 99 OP2 U A 4 -9.665 0.385 2.089 1.00 0.00 O ATOM 100 O5' U A 4 -8.140 0.376 4.075 1.00 0.00 O ATOM 101 C5' U A 4 -7.878 0.375 5.480 1.00 0.00 C ATOM 102 C4' U A 4 -6.413 0.677 5.780 1.00 0.00 C ATOM 103 O4' U A 4 -5.541 -0.203 5.080 1.00 0.00 O ATOM 104 C3' U A 4 -6.027 2.065 5.305 1.00 0.00 C ATOM 105 O3' U A 4 -6.271 2.989 6.368 1.00 0.00 O ATOM 106 C2' U A 4 -4.522 1.958 5.097 1.00 0.00 C ATOM 107 O2' U A 4 -3.804 2.383 6.260 1.00 0.00 O ATOM 108 C1' U A 4 -4.300 0.468 4.815 1.00 0.00 C ATOM 109 N1 U A 4 -3.872 0.262 3.418 1.00 0.00 N ATOM 110 C2 U A 4 -2.527 0.414 3.140 1.00 0.00 C ATOM 111 O2 U A 4 -1.707 0.698 4.012 1.00 0.00 O ATOM 112 N3 U A 4 -2.154 0.227 1.822 1.00 0.00 N ATOM 113 C4 U A 4 -2.997 -0.093 0.772 1.00 0.00 C ATOM 114 O4 U A 4 -2.554 -0.235 -0.366 1.00 0.00 O ATOM 115 C5 U A 4 -4.384 -0.233 1.153 1.00 0.00 C ATOM 116 C6 U A 4 -4.774 -0.055 2.439 1.00 0.00 C ATOM 0 H5' U A 4 -8.143 -0.596 5.899 1.00 0.00 H new ATOM 0 H5'' U A 4 -8.510 1.116 5.969 1.00 0.00 H new ATOM 0 H4' U A 4 -6.313 0.571 6.860 1.00 0.00 H new ATOM 0 H3' U A 4 -6.570 2.392 4.418 1.00 0.00 H new ATOM 0 H2' U A 4 -4.162 2.596 4.290 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.431 2.760 6.912 1.00 0.00 H new ATOM 0 H1' U A 4 -3.510 0.067 5.450 1.00 0.00 H new ATOM 0 H3 U A 4 -1.164 0.335 1.603 1.00 0.00 H new ATOM 0 H5 U A 4 -5.120 -0.483 0.403 1.00 0.00 H new ATOM 0 H6 U A 4 -5.817 -0.166 2.696 1.00 0.00 H new ATOM 127 P C A 5 -6.511 4.549 6.051 1.00 0.00 P ATOM 128 OP1 C A 5 -6.837 5.236 7.321 1.00 0.00 O ATOM 129 OP2 C A 5 -7.434 4.650 4.899 1.00 0.00 O ATOM 130 O5' C A 5 -5.053 5.039 5.574 1.00 0.00 O ATOM 131 C5' C A 5 -4.109 5.534 6.526 1.00 0.00 C ATOM 132 C4' C A 5 -2.735 5.746 5.897 1.00 0.00 C ATOM 133 O4' C A 5 -2.401 4.702 4.994 1.00 0.00 O ATOM 134 C3' C A 5 -2.704 7.007 5.055 1.00 0.00 C ATOM 135 O3' C A 5 -2.301 8.096 5.887 1.00 0.00 O ATOM 136 C2' C A 5 -1.591 6.738 4.047 1.00 0.00 C ATOM 137 O2' C A 5 -0.361 7.347 4.457 1.00 0.00 O ATOM 138 C1' C A 5 -1.474 5.208 4.026 1.00 0.00 C ATOM 139 N1 C A 5 -1.767 4.684 2.680 1.00 0.00 N ATOM 140 C2 C A 5 -0.717 4.630 1.782 1.00 0.00 C ATOM 141 O2 C A 5 0.405 4.996 2.125 1.00 0.00 O ATOM 142 N3 C A 5 -0.964 4.167 0.529 1.00 0.00 N ATOM 143 C4 C A 5 -2.189 3.772 0.167 1.00 0.00 C ATOM 144 N4 C A 5 -2.388 3.327 -1.074 1.00 0.00 N ATOM 145 C5 C A 5 -3.280 3.824 1.091 1.00 0.00 C ATOM 146 C6 C A 5 -3.025 4.284 2.332 1.00 0.00 C ATOM 0 H5' C A 5 -4.026 4.832 7.355 1.00 0.00 H new ATOM 0 H5'' C A 5 -4.469 6.476 6.941 1.00 0.00 H new ATOM 0 H4' C A 5 -2.040 5.792 6.736 1.00 0.00 H new ATOM 0 H3' C A 5 -3.663 7.244 4.594 1.00 0.00 H new ATOM 0 H2' C A 5 -1.807 7.155 3.063 1.00 0.00 H new ATOM 0 HO2' C A 5 -0.396 8.309 4.274 1.00 0.00 H new ATOM 0 H1' C A 5 -0.461 4.891 4.272 1.00 0.00 H new ATOM 0 H41 C A 5 -3.317 3.022 -1.364 1.00 0.00 H new ATOM 0 H42 C A 5 -1.611 3.291 -1.734 1.00 0.00 H new ATOM 0 H5 C A 5 -4.272 3.506 0.805 1.00 0.00 H new ATOM 0 H6 C A 5 -3.823 4.337 3.058 1.00 0.00 H new ATOM 158 P A A 6 -2.495 9.615 5.389 1.00 0.00 P ATOM 159 OP1 A A 6 -2.076 10.519 6.484 1.00 0.00 O ATOM 160 OP2 A A 6 -3.850 9.741 4.806 1.00 0.00 O ATOM 161 O5' A A 6 -1.422 9.734 4.196 1.00 0.00 O ATOM 162 C5' A A 6 -1.855 9.973 2.855 1.00 0.00 C ATOM 163 C4' A A 6 -0.765 9.628 1.845 1.00 0.00 C ATOM 164 O4' A A 6 -0.839 8.259 1.452 1.00 0.00 O ATOM 165 C3' A A 6 -0.932 10.434 0.569 1.00 0.00 C ATOM 166 O3' A A 6 -0.120 11.607 0.673 1.00 0.00 O ATOM 167 C2' A A 6 -0.340 9.534 -0.504 1.00 0.00 C ATOM 168 O2' A A 6 1.056 9.796 -0.692 1.00 0.00 O ATOM 169 C1' A A 6 -0.575 8.127 0.048 1.00 0.00 C ATOM 170 N9 A A 6 -1.703 7.471 -0.640 1.00 0.00 N ATOM 171 C8 A A 6 -2.925 7.124 -0.166 1.00 0.00 C ATOM 172 N7 A A 6 -3.738 6.541 -0.981 1.00 0.00 N ATOM 173 C5 A A 6 -2.972 6.486 -2.150 1.00 0.00 C ATOM 174 C6 A A 6 -3.230 5.982 -3.430 1.00 0.00 C ATOM 175 N6 A A 6 -4.384 5.407 -3.769 1.00 0.00 N ATOM 176 N1 A A 6 -2.252 6.090 -4.346 1.00 0.00 N ATOM 177 C2 A A 6 -1.089 6.660 -4.027 1.00 0.00 C ATOM 178 N3 A A 6 -0.739 7.170 -2.851 1.00 0.00 N ATOM 179 C4 A A 6 -1.733 7.050 -1.950 1.00 0.00 C ATOM 0 H5' A A 6 -2.137 11.020 2.744 1.00 0.00 H new ATOM 0 H5'' A A 6 -2.745 9.379 2.648 1.00 0.00 H new ATOM 0 H4' A A 6 0.183 9.848 2.336 1.00 0.00 H new ATOM 0 H3' A A 6 -1.963 10.726 0.369 1.00 0.00 H new ATOM 0 H2' A A 6 -0.792 9.686 -1.484 1.00 0.00 H new ATOM 0 HO2' A A 6 1.313 10.586 -0.173 1.00 0.00 H new ATOM 0 H1' A A 6 0.302 7.501 -0.119 1.00 0.00 H new ATOM 0 H8 A A 6 -3.208 7.328 0.856 1.00 0.00 H new ATOM 0 H61 A A 6 -4.520 5.056 -4.717 1.00 0.00 H new ATOM 0 H62 A A 6 -5.131 5.318 -3.080 1.00 0.00 H new ATOM 0 H2 A A 6 -0.349 6.713 -4.812 1.00 0.00 H new ATOM 191 P G A 7 -0.512 12.948 -0.126 1.00 0.00 P ATOM 192 OP1 G A 7 0.650 13.865 -0.089 1.00 0.00 O ATOM 193 OP2 G A 7 -1.832 13.409 0.359 1.00 0.00 O ATOM 194 O5' G A 7 -0.688 12.417 -1.635 1.00 0.00 O ATOM 195 C5' G A 7 0.452 12.235 -2.478 1.00 0.00 C ATOM 196 C4' G A 7 0.070 11.592 -3.806 1.00 0.00 C ATOM 197 O4' G A 7 -0.789 10.462 -3.604 1.00 0.00 O ATOM 198 C3' G A 7 -0.700 12.579 -4.688 1.00 0.00 C ATOM 199 O3' G A 7 -0.147 12.520 -6.006 1.00 0.00 O ATOM 200 C2' G A 7 -2.118 12.023 -4.738 1.00 0.00 C ATOM 201 O2' G A 7 -2.733 12.266 -6.008 1.00 0.00 O ATOM 202 C1' G A 7 -1.894 10.539 -4.502 1.00 0.00 C ATOM 203 N9 G A 7 -3.094 9.896 -3.929 1.00 0.00 N ATOM 204 C8 G A 7 -3.755 8.785 -4.337 1.00 0.00 C ATOM 205 N7 G A 7 -4.790 8.420 -3.659 1.00 0.00 N ATOM 206 C5 G A 7 -4.843 9.404 -2.667 1.00 0.00 C ATOM 207 C6 G A 7 -5.764 9.568 -1.598 1.00 0.00 C ATOM 208 O6 G A 7 -6.731 8.866 -1.310 1.00 0.00 O ATOM 209 N1 G A 7 -5.460 10.685 -0.830 1.00 0.00 N ATOM 210 C2 G A 7 -4.403 11.543 -1.058 1.00 0.00 C ATOM 211 N2 G A 7 -4.276 12.564 -0.209 1.00 0.00 N ATOM 212 N3 G A 7 -3.531 11.396 -2.062 1.00 0.00 N ATOM 213 C4 G A 7 -3.807 10.313 -2.824 1.00 0.00 C ATOM 0 H5' G A 7 1.186 11.611 -1.969 1.00 0.00 H new ATOM 0 H5'' G A 7 0.926 13.199 -2.663 1.00 0.00 H new ATOM 0 H4' G A 7 1.001 11.288 -4.283 1.00 0.00 H new ATOM 0 H3' G A 7 -0.660 13.604 -4.319 1.00 0.00 H new ATOM 0 H2' G A 7 -2.791 12.482 -4.013 1.00 0.00 H new ATOM 0 HO2' G A 7 -3.641 11.896 -6.008 1.00 0.00 H new ATOM 0 H1' G A 7 -1.694 10.012 -5.435 1.00 0.00 H new ATOM 0 H8 G A 7 -3.426 8.225 -5.200 1.00 0.00 H new ATOM 0 H1 G A 7 -6.066 10.887 -0.035 1.00 0.00 H new ATOM 0 H21 G A 7 -3.514 13.232 -0.325 1.00 0.00 H new ATOM 0 H22 G A 7 -4.941 12.676 0.557 1.00 0.00 H new ATOM 225 P A A 8 0.006 13.857 -6.893 1.00 0.00 P ATOM 226 OP1 A A 8 1.446 14.186 -6.987 1.00 0.00 O ATOM 227 OP2 A A 8 -0.946 14.865 -6.378 1.00 0.00 O ATOM 228 O5' A A 8 -0.499 13.387 -8.351 1.00 0.00 O ATOM 229 C5' A A 8 -0.867 12.026 -8.609 1.00 0.00 C ATOM 230 C4' A A 8 0.297 11.233 -9.200 1.00 0.00 C ATOM 231 O4' A A 8 1.549 11.894 -8.955 1.00 0.00 O ATOM 232 C3' A A 8 0.418 9.846 -8.558 1.00 0.00 C ATOM 233 O3' A A 8 0.799 8.916 -9.574 1.00 0.00 O ATOM 234 C2' A A 8 1.589 9.990 -7.609 1.00 0.00 C ATOM 235 O2' A A 8 2.250 8.742 -7.393 1.00 0.00 O ATOM 236 C1' A A 8 2.462 10.961 -8.372 1.00 0.00 C ATOM 237 N9 A A 8 3.435 11.624 -7.487 1.00 0.00 N ATOM 238 C8 A A 8 3.257 12.202 -6.275 1.00 0.00 C ATOM 239 N7 A A 8 4.295 12.712 -5.701 1.00 0.00 N ATOM 240 C5 A A 8 5.296 12.444 -6.640 1.00 0.00 C ATOM 241 C6 A A 8 6.668 12.715 -6.672 1.00 0.00 C ATOM 242 N6 A A 8 7.308 13.349 -5.689 1.00 0.00 N ATOM 243 N1 A A 8 7.356 12.308 -7.755 1.00 0.00 N ATOM 244 C2 A A 8 6.734 11.671 -8.749 1.00 0.00 C ATOM 245 N3 A A 8 5.445 11.364 -8.822 1.00 0.00 N ATOM 246 C4 A A 8 4.778 11.782 -7.729 1.00 0.00 C ATOM 0 H5' A A 8 -1.712 12.001 -9.297 1.00 0.00 H new ATOM 0 H5'' A A 8 -1.196 11.555 -7.683 1.00 0.00 H new ATOM 0 H4' A A 8 0.091 11.151 -10.267 1.00 0.00 H new ATOM 0 H3' A A 8 -0.501 9.512 -8.077 1.00 0.00 H new ATOM 0 H2' A A 8 1.317 10.324 -6.608 1.00 0.00 H new ATOM 0 HO2' A A 8 2.594 8.708 -6.476 1.00 0.00 H new ATOM 0 H1' A A 8 3.065 10.461 -9.130 1.00 0.00 H new ATOM 0 H8 A A 8 2.284 12.235 -5.807 1.00 0.00 H new ATOM 0 H61 A A 8 8.311 13.522 -5.762 1.00 0.00 H new ATOM 0 H62 A A 8 6.795 13.661 -4.864 1.00 0.00 H new ATOM 0 H2 A A 8 7.347 11.372 -9.586 1.00 0.00 H new ATOM 258 P A A 9 0.328 7.380 -9.497 1.00 0.00 P ATOM 259 OP1 A A 9 0.113 6.889 -10.877 1.00 0.00 O ATOM 260 OP2 A A 9 -0.758 7.276 -8.497 1.00 0.00 O ATOM 261 O5' A A 9 1.636 6.653 -8.900 1.00 0.00 O ATOM 262 C5' A A 9 2.672 6.190 -9.772 1.00 0.00 C ATOM 263 C4' A A 9 4.061 6.651 -9.315 1.00 0.00 C ATOM 264 O4' A A 9 3.937 7.748 -8.406 1.00 0.00 O ATOM 265 C3' A A 9 4.803 5.537 -8.576 1.00 0.00 C ATOM 266 O3' A A 9 5.924 5.147 -9.367 1.00 0.00 O ATOM 267 C2' A A 9 5.376 6.184 -7.320 1.00 0.00 C ATOM 268 O2' A A 9 6.786 6.403 -7.448 1.00 0.00 O ATOM 269 C1' A A 9 4.628 7.498 -7.178 1.00 0.00 C ATOM 270 N9 A A 9 3.702 7.434 -6.033 1.00 0.00 N ATOM 271 C8 A A 9 2.505 6.812 -5.916 1.00 0.00 C ATOM 272 N7 A A 9 1.908 6.879 -4.775 1.00 0.00 N ATOM 273 C5 A A 9 2.809 7.639 -4.028 1.00 0.00 C ATOM 274 C6 A A 9 2.798 8.093 -2.706 1.00 0.00 C ATOM 275 N6 A A 9 1.804 7.839 -1.857 1.00 0.00 N ATOM 276 N1 A A 9 3.851 8.820 -2.295 1.00 0.00 N ATOM 277 C2 A A 9 4.856 9.084 -3.131 1.00 0.00 C ATOM 278 N3 A A 9 4.968 8.705 -4.399 1.00 0.00 N ATOM 279 C4 A A 9 3.904 7.981 -4.788 1.00 0.00 C ATOM 0 H5' A A 9 2.484 6.554 -10.782 1.00 0.00 H new ATOM 0 H5'' A A 9 2.648 5.101 -9.816 1.00 0.00 H new ATOM 0 H4' A A 9 4.614 6.937 -10.210 1.00 0.00 H new ATOM 0 H3' A A 9 4.151 4.689 -8.369 1.00 0.00 H new ATOM 0 H2' A A 9 5.252 5.549 -6.443 1.00 0.00 H new ATOM 0 HO2' A A 9 7.055 6.266 -8.380 1.00 0.00 H new ATOM 0 H1' A A 9 5.319 8.318 -6.983 1.00 0.00 H new ATOM 0 H8 A A 9 2.067 6.280 -6.747 1.00 0.00 H new ATOM 0 H61 A A 9 1.846 8.194 -0.902 1.00 0.00 H new ATOM 0 H62 A A 9 1.001 7.289 -2.162 1.00 0.00 H new ATOM 0 H2 A A 9 5.670 9.672 -2.732 1.00 0.00 H new ATOM 291 P G A 10 6.596 3.700 -9.148 1.00 0.00 P ATOM 292 OP1 G A 10 7.972 3.739 -9.689 1.00 0.00 O ATOM 293 OP2 G A 10 5.643 2.672 -9.625 1.00 0.00 O ATOM 294 O5' G A 10 6.686 3.598 -7.542 1.00 0.00 O ATOM 295 C5' G A 10 7.948 3.708 -6.879 1.00 0.00 C ATOM 296 C4' G A 10 7.789 3.892 -5.371 1.00 0.00 C ATOM 297 O4' G A 10 6.703 4.762 -5.047 1.00 0.00 O ATOM 298 C3' G A 10 7.443 2.587 -4.681 1.00 0.00 C ATOM 299 O3' G A 10 8.649 1.881 -4.381 1.00 0.00 O ATOM 300 C2' G A 10 6.833 3.066 -3.379 1.00 0.00 C ATOM 301 O2' G A 10 7.838 3.326 -2.393 1.00 0.00 O ATOM 302 C1' G A 10 6.115 4.347 -3.798 1.00 0.00 C ATOM 303 N9 G A 10 4.665 4.108 -3.931 1.00 0.00 N ATOM 304 C8 G A 10 3.942 3.715 -5.007 1.00 0.00 C ATOM 305 N7 G A 10 2.672 3.542 -4.845 1.00 0.00 N ATOM 306 C5 G A 10 2.513 3.856 -3.491 1.00 0.00 C ATOM 307 C6 G A 10 1.341 3.861 -2.685 1.00 0.00 C ATOM 308 O6 G A 10 0.186 3.582 -3.007 1.00 0.00 O ATOM 309 N1 G A 10 1.626 4.240 -1.380 1.00 0.00 N ATOM 310 C2 G A 10 2.875 4.572 -0.900 1.00 0.00 C ATOM 311 N2 G A 10 2.941 4.911 0.387 1.00 0.00 N ATOM 312 N3 G A 10 3.981 4.571 -1.649 1.00 0.00 N ATOM 313 C4 G A 10 3.731 4.205 -2.927 1.00 0.00 C ATOM 0 H5' G A 10 8.501 4.552 -7.291 1.00 0.00 H new ATOM 0 H5'' G A 10 8.539 2.813 -7.075 1.00 0.00 H new ATOM 0 H4' G A 10 8.746 4.295 -5.040 1.00 0.00 H new ATOM 0 H3' G A 10 6.801 1.932 -5.270 1.00 0.00 H new ATOM 0 H2' G A 10 6.173 2.333 -2.916 1.00 0.00 H new ATOM 0 HO2' G A 10 7.708 2.728 -1.628 1.00 0.00 H new ATOM 0 H1' G A 10 6.230 5.130 -3.049 1.00 0.00 H new ATOM 0 H8 G A 10 4.411 3.552 -5.966 1.00 0.00 H new ATOM 0 H1 G A 10 0.847 4.276 -0.722 1.00 0.00 H new ATOM 0 H21 G A 10 3.837 5.167 0.802 1.00 0.00 H new ATOM 0 H22 G A 10 2.095 4.914 0.957 1.00 0.00 H new ATOM 325 P A A 11 8.628 0.278 -4.218 1.00 0.00 P ATOM 326 OP1 A A 11 10.029 -0.203 -4.207 1.00 0.00 O ATOM 327 OP2 A A 11 7.667 -0.273 -5.198 1.00 0.00 O ATOM 328 O5' A A 11 8.014 0.077 -2.741 1.00 0.00 O ATOM 329 C5' A A 11 8.859 0.166 -1.590 1.00 0.00 C ATOM 330 C4' A A 11 8.057 0.402 -0.310 1.00 0.00 C ATOM 331 O4' A A 11 6.976 1.310 -0.523 1.00 0.00 O ATOM 332 C3' A A 11 7.395 -0.872 0.179 1.00 0.00 C ATOM 333 O3' A A 11 8.314 -1.582 1.014 1.00 0.00 O ATOM 334 C2' A A 11 6.270 -0.339 1.048 1.00 0.00 C ATOM 335 O2' A A 11 6.720 -0.065 2.379 1.00 0.00 O ATOM 336 C1' A A 11 5.867 0.944 0.319 1.00 0.00 C ATOM 337 N9 A A 11 4.641 0.718 -0.469 1.00 0.00 N ATOM 338 C8 A A 11 4.493 0.471 -1.794 1.00 0.00 C ATOM 339 N7 A A 11 3.295 0.265 -2.232 1.00 0.00 N ATOM 340 C5 A A 11 2.541 0.390 -1.060 1.00 0.00 C ATOM 341 C6 A A 11 1.171 0.288 -0.798 1.00 0.00 C ATOM 342 N6 A A 11 0.267 0.024 -1.740 1.00 0.00 N ATOM 343 N1 A A 11 0.769 0.468 0.472 1.00 0.00 N ATOM 344 C2 A A 11 1.658 0.732 1.431 1.00 0.00 C ATOM 345 N3 A A 11 2.974 0.851 1.295 1.00 0.00 N ATOM 346 C4 A A 11 3.354 0.667 0.015 1.00 0.00 C ATOM 0 H5' A A 11 9.573 0.978 -1.726 1.00 0.00 H new ATOM 0 H5'' A A 11 9.437 -0.753 -1.492 1.00 0.00 H new ATOM 0 H4' A A 11 8.780 0.789 0.408 1.00 0.00 H new ATOM 0 H3' A A 11 7.071 -1.538 -0.621 1.00 0.00 H new ATOM 0 H2' A A 11 5.448 -1.044 1.172 1.00 0.00 H new ATOM 0 HO2' A A 11 7.533 -0.580 2.562 1.00 0.00 H new ATOM 0 H1' A A 11 5.646 1.749 1.020 1.00 0.00 H new ATOM 0 H8 A A 11 5.344 0.447 -2.458 1.00 0.00 H new ATOM 0 H61 A A 11 -0.721 -0.040 -1.495 1.00 0.00 H new ATOM 0 H62 A A 11 0.563 -0.114 -2.706 1.00 0.00 H new ATOM 0 H2 A A 11 1.264 0.863 2.428 1.00 0.00 H new ATOM 358 P A A 12 8.367 -3.192 0.978 1.00 0.00 P ATOM 359 OP1 A A 12 9.670 -3.624 1.527 1.00 0.00 O ATOM 360 OP2 A A 12 7.951 -3.637 -0.372 1.00 0.00 O ATOM 361 O5' A A 12 7.214 -3.610 2.023 1.00 0.00 O ATOM 362 C5' A A 12 7.522 -3.792 3.409 1.00 0.00 C ATOM 363 C4' A A 12 6.258 -3.873 4.263 1.00 0.00 C ATOM 364 O4' A A 12 5.294 -2.900 3.863 1.00 0.00 O ATOM 365 C3' A A 12 5.560 -5.210 4.099 1.00 0.00 C ATOM 366 O3' A A 12 6.080 -6.121 5.072 1.00 0.00 O ATOM 367 C2' A A 12 4.120 -4.890 4.463 1.00 0.00 C ATOM 368 O2' A A 12 3.889 -5.040 5.869 1.00 0.00 O ATOM 369 C1' A A 12 3.969 -3.433 4.025 1.00 0.00 C ATOM 370 N9 A A 12 3.203 -3.348 2.768 1.00 0.00 N ATOM 371 C8 A A 12 3.640 -3.189 1.495 1.00 0.00 C ATOM 372 N7 A A 12 2.753 -3.164 0.558 1.00 0.00 N ATOM 373 C5 A A 12 1.569 -3.326 1.287 1.00 0.00 C ATOM 374 C6 A A 12 0.224 -3.391 0.910 1.00 0.00 C ATOM 375 N6 A A 12 -0.184 -3.299 -0.356 1.00 0.00 N ATOM 376 N1 A A 12 -0.686 -3.557 1.887 1.00 0.00 N ATOM 377 C2 A A 12 -0.300 -3.652 3.161 1.00 0.00 C ATOM 378 N3 A A 12 0.944 -3.603 3.629 1.00 0.00 N ATOM 379 C4 A A 12 1.837 -3.438 2.632 1.00 0.00 C ATOM 0 H5' A A 12 8.143 -2.966 3.755 1.00 0.00 H new ATOM 0 H5'' A A 12 8.106 -4.704 3.535 1.00 0.00 H new ATOM 0 H4' A A 12 6.592 -3.715 5.289 1.00 0.00 H new ATOM 0 H3' A A 12 5.680 -5.649 3.108 1.00 0.00 H new ATOM 0 H2' A A 12 3.401 -5.557 3.987 1.00 0.00 H new ATOM 0 HO2' A A 12 4.613 -5.568 6.265 1.00 0.00 H new ATOM 0 H1' A A 12 3.419 -2.857 4.770 1.00 0.00 H new ATOM 0 H8 A A 12 4.692 -3.087 1.273 1.00 0.00 H new ATOM 0 H61 A A 12 -1.178 -3.353 -0.577 1.00 0.00 H new ATOM 0 H62 A A 12 0.498 -3.175 -1.104 1.00 0.00 H new ATOM 0 H2 A A 12 -1.084 -3.783 3.892 1.00 0.00 H new ATOM 391 P C A 13 6.105 -7.704 4.775 1.00 0.00 P ATOM 392 OP1 C A 13 6.889 -8.363 5.844 1.00 0.00 O ATOM 393 OP2 C A 13 6.478 -7.902 3.357 1.00 0.00 O ATOM 394 O5' C A 13 4.559 -8.124 4.954 1.00 0.00 O ATOM 395 C5' C A 13 4.065 -8.535 6.231 1.00 0.00 C ATOM 396 C4' C A 13 2.567 -8.832 6.188 1.00 0.00 C ATOM 397 O4' C A 13 1.841 -7.770 5.571 1.00 0.00 O ATOM 398 C3' C A 13 2.274 -10.062 5.347 1.00 0.00 C ATOM 399 O3' C A 13 2.281 -11.209 6.202 1.00 0.00 O ATOM 400 C2' C A 13 0.850 -9.826 4.874 1.00 0.00 C ATOM 401 O2' C A 13 -0.106 -10.349 5.805 1.00 0.00 O ATOM 402 C1' C A 13 0.763 -8.303 4.783 1.00 0.00 C ATOM 403 N1 C A 13 0.863 -7.859 3.381 1.00 0.00 N ATOM 404 C2 C A 13 -0.313 -7.777 2.652 1.00 0.00 C ATOM 405 O2 C A 13 -1.385 -8.066 3.179 1.00 0.00 O ATOM 406 N3 C A 13 -0.241 -7.373 1.355 1.00 0.00 N ATOM 407 C4 C A 13 0.935 -7.062 0.795 1.00 0.00 C ATOM 408 N4 C A 13 0.970 -6.669 -0.477 1.00 0.00 N ATOM 409 C5 C A 13 2.152 -7.145 1.545 1.00 0.00 C ATOM 410 C6 C A 13 2.070 -7.545 2.828 1.00 0.00 C ATOM 0 H5' C A 13 4.260 -7.754 6.965 1.00 0.00 H new ATOM 0 H5'' C A 13 4.603 -9.424 6.561 1.00 0.00 H new ATOM 0 H4' C A 13 2.265 -8.972 7.226 1.00 0.00 H new ATOM 0 H3' C A 13 2.987 -10.220 4.538 1.00 0.00 H new ATOM 0 H2' C A 13 0.627 -10.324 3.931 1.00 0.00 H new ATOM 0 HO2' C A 13 -0.714 -10.961 5.340 1.00 0.00 H new ATOM 0 H1' C A 13 -0.196 -7.947 5.160 1.00 0.00 H new ATOM 0 H41 C A 13 1.861 -6.430 -0.913 1.00 0.00 H new ATOM 0 H42 C A 13 0.106 -6.607 -1.016 1.00 0.00 H new ATOM 0 H5 C A 13 3.103 -6.895 1.097 1.00 0.00 H new ATOM 0 H6 C A 13 2.967 -7.618 3.424 1.00 0.00 H new ATOM 422 P C A 14 2.650 -12.664 5.616 1.00 0.00 P ATOM 423 OP1 C A 14 2.875 -13.580 6.757 1.00 0.00 O ATOM 424 OP2 C A 14 3.699 -12.497 4.585 1.00 0.00 O ATOM 425 O5' C A 14 1.286 -13.105 4.882 1.00 0.00 O ATOM 426 C5' C A 14 0.169 -13.569 5.647 1.00 0.00 C ATOM 427 C4' C A 14 -1.139 -13.436 4.870 1.00 0.00 C ATOM 428 O4' C A 14 -1.185 -12.214 4.137 1.00 0.00 O ATOM 429 C3' C A 14 -1.274 -14.536 3.833 1.00 0.00 C ATOM 430 O3' C A 14 -1.836 -15.725 4.398 1.00 0.00 O ATOM 431 C2' C A 14 -2.211 -13.907 2.812 1.00 0.00 C ATOM 432 O2' C A 14 -3.582 -14.154 3.142 1.00 0.00 O ATOM 433 C1' C A 14 -1.878 -12.416 2.897 1.00 0.00 C ATOM 434 N1 C A 14 -1.049 -11.994 1.751 1.00 0.00 N ATOM 435 C2 C A 14 -1.706 -11.680 0.572 1.00 0.00 C ATOM 436 O2 C A 14 -2.931 -11.765 0.509 1.00 0.00 O ATOM 437 N3 C A 14 -0.963 -11.281 -0.495 1.00 0.00 N ATOM 438 C4 C A 14 0.370 -11.192 -0.411 1.00 0.00 C ATOM 439 N4 C A 14 1.068 -10.796 -1.475 1.00 0.00 N ATOM 440 C5 C A 14 1.054 -11.515 0.805 1.00 0.00 C ATOM 441 C6 C A 14 0.309 -11.910 1.856 1.00 0.00 C ATOM 0 H5' C A 14 0.101 -13.000 6.575 1.00 0.00 H new ATOM 0 H5'' C A 14 0.324 -14.612 5.923 1.00 0.00 H new ATOM 0 H4' C A 14 -1.934 -13.485 5.614 1.00 0.00 H new ATOM 0 H3' C A 14 -0.321 -14.855 3.411 1.00 0.00 H new ATOM 0 H2' C A 14 -2.081 -14.314 1.809 1.00 0.00 H new ATOM 0 HO2' C A 14 -3.636 -14.895 3.782 1.00 0.00 H new ATOM 0 HO3' C A 14 -1.911 -16.413 3.704 1.00 0.00 H new ATOM 0 H1' C A 14 -2.786 -11.814 2.862 1.00 0.00 H new ATOM 0 H41 C A 14 2.084 -10.725 -1.421 1.00 0.00 H new ATOM 0 H42 C A 14 0.586 -10.564 -2.343 1.00 0.00 H new ATOM 0 H5 C A 14 2.129 -11.444 0.877 1.00 0.00 H new ATOM 0 H6 C A 14 0.791 -12.162 2.789 1.00 0.00 H new TER 454 C A 14