USER MOD reduce.3.24.130724 H: found=0, std=0, add=152, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 170 hydrogens (18 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= 0.37 USER MOD Single : A 1 G O5' : rot 7:sc= 0.0105 USER MOD Single : A 2 G O2' : rot -10:sc= -0.938 USER MOD Single : A 3 G O2' : rot -17:sc= 0.295 USER MOD Single : A 4 U O2' : rot -31:sc= 0.293 USER MOD Single : A 5 C O2' : rot -24:sc= 0.212 USER MOD Single : A 6 U O2' : rot 176:sc= -0.748 USER MOD Single : A 7 U O2' : rot -130:sc= -2.45! USER MOD Single : A 8 C O2' : rot 26:sc= 0.224 USER MOD Single : A 9 G O2' : rot -17:sc= 0.31 USER MOD Single : A 10 G O2' : rot 1:sc= -2.3! USER MOD Single : A 11 G O2' : rot -17:sc= 0.218 USER MOD Single : A 12 U O2' : rot -19:sc= 0.339 USER MOD Single : A 13 C O2' : rot -14:sc= 0.321 USER MOD Single : A 14 C O2' : rot -20:sc= 0.132 USER MOD Single : A 14 C O3' : rot 180:sc= 0.139 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 10.931 -4.884 3.537 1.00 0.00 O ATOM 2 C5' G A 1 10.017 -5.962 3.767 1.00 0.00 C ATOM 3 C4' G A 1 9.597 -6.631 2.465 1.00 0.00 C ATOM 4 O4' G A 1 8.619 -7.629 2.737 1.00 0.00 O ATOM 5 C3' G A 1 8.910 -5.721 1.466 1.00 0.00 C ATOM 6 O3' G A 1 9.930 -5.124 0.655 1.00 0.00 O ATOM 7 C2' G A 1 8.141 -6.708 0.598 1.00 0.00 C ATOM 8 O2' G A 1 9.010 -7.284 -0.382 1.00 0.00 O ATOM 9 C1' G A 1 7.718 -7.765 1.624 1.00 0.00 C ATOM 10 N9 G A 1 6.371 -7.510 2.147 1.00 0.00 N ATOM 11 C8 G A 1 6.047 -6.918 3.331 1.00 0.00 C ATOM 12 N7 G A 1 4.763 -6.811 3.533 1.00 0.00 N ATOM 13 C5 G A 1 4.200 -7.375 2.391 1.00 0.00 C ATOM 14 C6 G A 1 2.835 -7.545 2.034 1.00 0.00 C ATOM 15 O6 G A 1 1.832 -7.224 2.666 1.00 0.00 O ATOM 16 N1 G A 1 2.705 -8.157 0.802 1.00 0.00 N ATOM 17 C2 G A 1 3.747 -8.557 0.006 1.00 0.00 C ATOM 18 N2 G A 1 3.436 -9.127 -1.149 1.00 0.00 N ATOM 19 N3 G A 1 5.031 -8.406 0.325 1.00 0.00 N ATOM 20 C4 G A 1 5.181 -7.808 1.531 1.00 0.00 C ATOM 0 H5' G A 1 9.134 -5.587 4.285 1.00 0.00 H new ATOM 0 H5'' G A 1 10.481 -6.699 4.422 1.00 0.00 H new ATOM 0 H4' G A 1 10.534 -6.998 2.046 1.00 0.00 H new ATOM 0 H3' G A 1 8.292 -4.942 1.913 1.00 0.00 H new ATOM 0 H2' G A 1 7.310 -6.267 0.047 1.00 0.00 H new ATOM 0 HO2' G A 1 9.820 -6.738 -0.463 1.00 0.00 H new ATOM 0 HO5' G A 1 11.014 -4.725 2.573 1.00 0.00 H new ATOM 0 H1' G A 1 7.734 -8.747 1.152 1.00 0.00 H new ATOM 0 H8 G A 1 6.786 -6.569 4.037 1.00 0.00 H new ATOM 0 H1 G A 1 1.760 -8.324 0.458 1.00 0.00 H new ATOM 0 H21 G A 1 4.175 -9.442 -1.777 1.00 0.00 H new ATOM 0 H22 G A 1 2.458 -9.250 -1.410 1.00 0.00 H new ATOM 33 P G A 2 9.808 -3.585 0.182 1.00 0.00 P ATOM 34 OP1 G A 2 11.161 -3.107 -0.190 1.00 0.00 O ATOM 35 OP2 G A 2 9.018 -2.849 1.194 1.00 0.00 O ATOM 36 O5' G A 2 8.925 -3.699 -1.162 1.00 0.00 O ATOM 37 C5' G A 2 9.525 -4.088 -2.404 1.00 0.00 C ATOM 38 C4' G A 2 8.491 -4.622 -3.392 1.00 0.00 C ATOM 39 O4' G A 2 7.755 -5.685 -2.773 1.00 0.00 O ATOM 40 C3' G A 2 7.412 -3.636 -3.806 1.00 0.00 C ATOM 41 O3' G A 2 7.880 -2.921 -4.956 1.00 0.00 O ATOM 42 C2' G A 2 6.304 -4.569 -4.266 1.00 0.00 C ATOM 43 O2' G A 2 6.603 -5.125 -5.552 1.00 0.00 O ATOM 44 C1' G A 2 6.375 -5.643 -3.184 1.00 0.00 C ATOM 45 N9 G A 2 5.566 -5.284 -2.009 1.00 0.00 N ATOM 46 C8 G A 2 5.964 -4.617 -0.884 1.00 0.00 C ATOM 47 N7 G A 2 5.008 -4.430 -0.018 1.00 0.00 N ATOM 48 C5 G A 2 3.897 -5.016 -0.618 1.00 0.00 C ATOM 49 C6 G A 2 2.557 -5.127 -0.153 1.00 0.00 C ATOM 50 O6 G A 2 2.075 -4.723 0.902 1.00 0.00 O ATOM 51 N1 G A 2 1.757 -5.788 -1.066 1.00 0.00 N ATOM 52 C2 G A 2 2.180 -6.284 -2.271 1.00 0.00 C ATOM 53 N2 G A 2 1.274 -6.888 -3.025 1.00 0.00 N ATOM 54 N3 G A 2 3.428 -6.192 -2.720 1.00 0.00 N ATOM 55 C4 G A 2 4.230 -5.544 -1.841 1.00 0.00 C ATOM 0 H5' G A 2 10.279 -4.853 -2.219 1.00 0.00 H new ATOM 0 H5'' G A 2 10.039 -3.233 -2.843 1.00 0.00 H new ATOM 0 H4' G A 2 9.082 -4.900 -4.264 1.00 0.00 H new ATOM 0 H3' G A 2 7.126 -2.925 -3.031 1.00 0.00 H new ATOM 0 H2' G A 2 5.329 -4.095 -4.379 1.00 0.00 H new ATOM 0 HO2' G A 2 7.381 -4.668 -5.933 1.00 0.00 H new ATOM 0 H1' G A 2 6.002 -6.591 -3.571 1.00 0.00 H new ATOM 0 H8 G A 2 6.977 -4.277 -0.727 1.00 0.00 H new ATOM 0 H1 G A 2 0.775 -5.917 -0.824 1.00 0.00 H new ATOM 0 H21 G A 2 1.540 -7.274 -3.931 1.00 0.00 H new ATOM 0 H22 G A 2 0.311 -6.967 -2.700 1.00 0.00 H new ATOM 67 P G A 3 7.204 -1.518 -5.379 1.00 0.00 P ATOM 68 OP1 G A 3 7.802 -1.085 -6.663 1.00 0.00 O ATOM 69 OP2 G A 3 7.240 -0.614 -4.208 1.00 0.00 O ATOM 70 O5' G A 3 5.666 -1.929 -5.650 1.00 0.00 O ATOM 71 C5' G A 3 5.303 -2.662 -6.826 1.00 0.00 C ATOM 72 C4' G A 3 3.845 -3.117 -6.796 1.00 0.00 C ATOM 73 O4' G A 3 3.607 -3.924 -5.635 1.00 0.00 O ATOM 74 C3' G A 3 2.817 -2.016 -6.654 1.00 0.00 C ATOM 75 O3' G A 3 2.547 -1.489 -7.961 1.00 0.00 O ATOM 76 C2' G A 3 1.597 -2.809 -6.215 1.00 0.00 C ATOM 77 O2' G A 3 1.020 -3.508 -7.323 1.00 0.00 O ATOM 78 C1' G A 3 2.229 -3.792 -5.225 1.00 0.00 C ATOM 79 N9 G A 3 2.176 -3.289 -3.838 1.00 0.00 N ATOM 80 C8 G A 3 3.189 -2.778 -3.065 1.00 0.00 C ATOM 81 N7 G A 3 2.801 -2.399 -1.879 1.00 0.00 N ATOM 82 C5 G A 3 1.437 -2.677 -1.867 1.00 0.00 C ATOM 83 C6 G A 3 0.471 -2.478 -0.843 1.00 0.00 C ATOM 84 O6 G A 3 0.631 -2.009 0.279 1.00 0.00 O ATOM 85 N1 G A 3 -0.785 -2.892 -1.243 1.00 0.00 N ATOM 86 C2 G A 3 -1.083 -3.430 -2.466 1.00 0.00 C ATOM 87 N2 G A 3 -2.346 -3.769 -2.684 1.00 0.00 N ATOM 88 N3 G A 3 -0.192 -3.625 -3.433 1.00 0.00 N ATOM 89 C4 G A 3 1.047 -3.224 -3.063 1.00 0.00 C ATOM 0 H5' G A 3 5.951 -3.533 -6.924 1.00 0.00 H new ATOM 0 H5'' G A 3 5.470 -2.040 -7.705 1.00 0.00 H new ATOM 0 H4' G A 3 3.727 -3.620 -7.756 1.00 0.00 H new ATOM 0 H3' G A 3 3.105 -1.200 -5.992 1.00 0.00 H new ATOM 0 H2' G A 3 0.790 -2.205 -5.801 1.00 0.00 H new ATOM 0 HO2' G A 3 1.347 -3.120 -8.161 1.00 0.00 H new ATOM 0 H1' G A 3 1.691 -4.740 -5.235 1.00 0.00 H new ATOM 0 H8 G A 3 4.210 -2.698 -3.407 1.00 0.00 H new ATOM 0 H1 G A 3 -1.549 -2.789 -0.575 1.00 0.00 H new ATOM 0 H21 G A 3 -2.618 -4.174 -3.580 1.00 0.00 H new ATOM 0 H22 G A 3 -3.046 -3.625 -1.956 1.00 0.00 H new ATOM 101 P U A 4 2.140 0.061 -8.147 1.00 0.00 P ATOM 102 OP1 U A 4 1.758 0.272 -9.561 1.00 0.00 O ATOM 103 OP2 U A 4 3.200 0.895 -7.536 1.00 0.00 O ATOM 104 O5' U A 4 0.814 0.193 -7.236 1.00 0.00 O ATOM 105 C5' U A 4 -0.456 -0.267 -7.716 1.00 0.00 C ATOM 106 C4' U A 4 -1.526 -0.209 -6.628 1.00 0.00 C ATOM 107 O4' U A 4 -1.120 -1.015 -5.514 1.00 0.00 O ATOM 108 C3' U A 4 -1.747 1.159 -6.013 1.00 0.00 C ATOM 109 O3' U A 4 -2.731 1.842 -6.801 1.00 0.00 O ATOM 110 C2' U A 4 -2.387 0.802 -4.684 1.00 0.00 C ATOM 111 O2' U A 4 -3.761 0.439 -4.861 1.00 0.00 O ATOM 112 C1' U A 4 -1.555 -0.415 -4.278 1.00 0.00 C ATOM 113 N1 U A 4 -0.366 -0.042 -3.481 1.00 0.00 N ATOM 114 C2 U A 4 -0.550 0.203 -2.132 1.00 0.00 C ATOM 115 O2 U A 4 -1.650 0.132 -1.586 1.00 0.00 O ATOM 116 N3 U A 4 0.576 0.550 -1.423 1.00 0.00 N ATOM 117 C4 U A 4 1.852 0.677 -1.929 1.00 0.00 C ATOM 118 O4 U A 4 2.773 1.006 -1.191 1.00 0.00 O ATOM 119 C5 U A 4 1.968 0.407 -3.343 1.00 0.00 C ATOM 120 C6 U A 4 0.872 0.060 -4.061 1.00 0.00 C ATOM 0 H5' U A 4 -0.359 -1.291 -8.077 1.00 0.00 H new ATOM 0 H5'' U A 4 -0.767 0.342 -8.565 1.00 0.00 H new ATOM 0 H4' U A 4 -2.433 -0.536 -7.137 1.00 0.00 H new ATOM 0 H3' U A 4 -0.851 1.775 -5.939 1.00 0.00 H new ATOM 0 H2' U A 4 -2.393 1.612 -3.954 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.136 0.937 -5.617 1.00 0.00 H new ATOM 0 H1' U A 4 -2.151 -1.085 -3.658 1.00 0.00 H new ATOM 0 H3 U A 4 0.455 0.731 -0.426 1.00 0.00 H new ATOM 0 H5 U A 4 2.930 0.482 -3.829 1.00 0.00 H new ATOM 0 H6 U A 4 0.977 -0.141 -5.117 1.00 0.00 H new ATOM 131 P C A 5 -2.862 3.448 -6.740 1.00 0.00 P ATOM 132 OP1 C A 5 -3.807 3.876 -7.794 1.00 0.00 O ATOM 133 OP2 C A 5 -1.498 4.023 -6.693 1.00 0.00 O ATOM 134 O5' C A 5 -3.557 3.692 -5.305 1.00 0.00 O ATOM 135 C5' C A 5 -4.984 3.769 -5.182 1.00 0.00 C ATOM 136 C4' C A 5 -5.411 4.244 -3.796 1.00 0.00 C ATOM 137 O4' C A 5 -4.959 3.311 -2.806 1.00 0.00 O ATOM 138 C3' C A 5 -4.797 5.555 -3.347 1.00 0.00 C ATOM 139 O3' C A 5 -5.636 6.619 -3.816 1.00 0.00 O ATOM 140 C2' C A 5 -4.959 5.471 -1.839 1.00 0.00 C ATOM 141 O2' C A 5 -6.315 5.730 -1.461 1.00 0.00 O ATOM 142 C1' C A 5 -4.603 4.004 -1.592 1.00 0.00 C ATOM 143 N1 C A 5 -3.159 3.808 -1.342 1.00 0.00 N ATOM 144 C2 C A 5 -2.722 3.848 -0.027 1.00 0.00 C ATOM 145 O2 C A 5 -3.513 4.056 0.888 1.00 0.00 O ATOM 146 N3 C A 5 -1.399 3.664 0.227 1.00 0.00 N ATOM 147 C4 C A 5 -0.537 3.446 -0.771 1.00 0.00 C ATOM 148 N4 C A 5 0.742 3.279 -0.454 1.00 0.00 N ATOM 149 C5 C A 5 -0.978 3.402 -2.130 1.00 0.00 C ATOM 150 C6 C A 5 -2.289 3.588 -2.369 1.00 0.00 C ATOM 0 H5' C A 5 -5.419 2.789 -5.380 1.00 0.00 H new ATOM 0 H5'' C A 5 -5.377 4.450 -5.936 1.00 0.00 H new ATOM 0 H4' C A 5 -6.493 4.349 -3.881 1.00 0.00 H new ATOM 0 H3' C A 5 -3.776 5.721 -3.691 1.00 0.00 H new ATOM 0 H2' C A 5 -4.357 6.186 -1.278 1.00 0.00 H new ATOM 0 HO2' C A 5 -6.754 6.258 -2.160 1.00 0.00 H new ATOM 0 H1' C A 5 -5.129 3.638 -0.710 1.00 0.00 H new ATOM 0 H41 C A 5 1.431 3.110 -1.187 1.00 0.00 H new ATOM 0 H42 C A 5 1.035 3.319 0.522 1.00 0.00 H new ATOM 0 H5 C A 5 -0.283 3.225 -2.937 1.00 0.00 H new ATOM 0 H6 C A 5 -2.656 3.563 -3.384 1.00 0.00 H new ATOM 162 P U A 6 -5.024 8.083 -4.089 1.00 0.00 P ATOM 163 OP1 U A 6 -6.131 8.983 -4.486 1.00 0.00 O ATOM 164 OP2 U A 6 -3.841 7.936 -4.967 1.00 0.00 O ATOM 165 O5' U A 6 -4.509 8.527 -2.626 1.00 0.00 O ATOM 166 C5' U A 6 -5.434 8.965 -1.623 1.00 0.00 C ATOM 167 C4' U A 6 -4.756 9.144 -0.267 1.00 0.00 C ATOM 168 O4' U A 6 -4.189 7.896 0.155 1.00 0.00 O ATOM 169 C3' U A 6 -3.574 10.092 -0.259 1.00 0.00 C ATOM 170 O3' U A 6 -4.084 11.410 -0.011 1.00 0.00 O ATOM 171 C2' U A 6 -2.819 9.639 0.980 1.00 0.00 C ATOM 172 O2' U A 6 -3.460 10.118 2.168 1.00 0.00 O ATOM 173 C1' U A 6 -2.956 8.120 0.864 1.00 0.00 C ATOM 174 N1 U A 6 -1.851 7.510 0.091 1.00 0.00 N ATOM 175 C2 U A 6 -0.793 6.970 0.798 1.00 0.00 C ATOM 176 O2 U A 6 -0.742 6.979 2.026 1.00 0.00 O ATOM 177 N3 U A 6 0.215 6.411 0.045 1.00 0.00 N ATOM 178 C4 U A 6 0.259 6.342 -1.331 1.00 0.00 C ATOM 179 O4 U A 6 1.211 5.804 -1.886 1.00 0.00 O ATOM 180 C5 U A 6 -0.878 6.925 -2.002 1.00 0.00 C ATOM 181 C6 U A 6 -1.881 7.480 -1.281 1.00 0.00 C ATOM 0 H5' U A 6 -6.242 8.240 -1.532 1.00 0.00 H new ATOM 0 H5'' U A 6 -5.885 9.908 -1.931 1.00 0.00 H new ATOM 0 H4' U A 6 -5.548 9.536 0.371 1.00 0.00 H new ATOM 0 H3' U A 6 -2.980 10.097 -1.173 1.00 0.00 H new ATOM 0 H2' U A 6 -1.791 9.997 1.041 1.00 0.00 H new ATOM 0 HO2' U A 6 -2.994 9.766 2.955 1.00 0.00 H new ATOM 0 H1' U A 6 -2.935 7.670 1.857 1.00 0.00 H new ATOM 0 H3 U A 6 1.003 6.010 0.553 1.00 0.00 H new ATOM 0 H5 U A 6 -0.929 6.919 -3.081 1.00 0.00 H new ATOM 0 H6 U A 6 -2.726 7.910 -1.799 1.00 0.00 H new ATOM 192 P U A 7 -3.200 12.714 -0.347 1.00 0.00 P ATOM 193 OP1 U A 7 -4.119 13.833 -0.649 1.00 0.00 O ATOM 194 OP2 U A 7 -2.153 12.330 -1.325 1.00 0.00 O ATOM 195 O5' U A 7 -2.485 13.011 1.065 1.00 0.00 O ATOM 196 C5' U A 7 -1.905 14.290 1.347 1.00 0.00 C ATOM 197 C4' U A 7 -1.754 14.507 2.850 1.00 0.00 C ATOM 198 O4' U A 7 -3.054 14.477 3.465 1.00 0.00 O ATOM 199 C3' U A 7 -0.953 13.420 3.565 1.00 0.00 C ATOM 200 O3' U A 7 -0.347 14.019 4.717 1.00 0.00 O ATOM 201 C2' U A 7 -2.026 12.461 4.053 1.00 0.00 C ATOM 202 O2' U A 7 -1.568 11.714 5.184 1.00 0.00 O ATOM 203 C1' U A 7 -3.117 13.441 4.454 1.00 0.00 C ATOM 204 N1 U A 7 -4.465 12.837 4.428 1.00 0.00 N ATOM 205 C2 U A 7 -5.204 12.868 5.596 1.00 0.00 C ATOM 206 O2 U A 7 -4.787 13.377 6.632 1.00 0.00 O ATOM 207 N3 U A 7 -6.454 12.292 5.536 1.00 0.00 N ATOM 208 C4 U A 7 -7.024 11.698 4.433 1.00 0.00 C ATOM 209 O4 U A 7 -8.152 11.222 4.509 1.00 0.00 O ATOM 210 C5 U A 7 -6.195 11.700 3.250 1.00 0.00 C ATOM 211 C6 U A 7 -4.962 12.261 3.285 1.00 0.00 C ATOM 0 H5' U A 7 -2.530 15.077 0.924 1.00 0.00 H new ATOM 0 H5'' U A 7 -0.930 14.364 0.866 1.00 0.00 H new ATOM 0 H4' U A 7 -1.233 15.459 2.947 1.00 0.00 H new ATOM 0 H3' U A 7 -0.190 12.949 2.944 1.00 0.00 H new ATOM 0 H2' U A 7 -2.333 11.711 3.324 1.00 0.00 H new ATOM 0 HO2' U A 7 -1.736 10.760 5.036 1.00 0.00 H new ATOM 0 H1' U A 7 -2.958 13.789 5.475 1.00 0.00 H new ATOM 0 H3 U A 7 -7.010 12.307 6.391 1.00 0.00 H new ATOM 0 H5 U A 7 -6.558 11.254 2.336 1.00 0.00 H new ATOM 0 H6 U A 7 -4.355 12.255 2.392 1.00 0.00 H new ATOM 222 P C A 8 1.260 14.080 4.849 1.00 0.00 P ATOM 223 OP1 C A 8 1.596 14.455 6.241 1.00 0.00 O ATOM 224 OP2 C A 8 1.784 14.880 3.721 1.00 0.00 O ATOM 225 O5' C A 8 1.687 12.542 4.617 1.00 0.00 O ATOM 226 C5' C A 8 1.339 11.533 5.575 1.00 0.00 C ATOM 227 C4' C A 8 1.851 10.153 5.168 1.00 0.00 C ATOM 228 O4' C A 8 1.211 9.740 3.949 1.00 0.00 O ATOM 229 C3' C A 8 3.352 10.085 4.876 1.00 0.00 C ATOM 230 O3' C A 8 3.793 8.761 5.222 1.00 0.00 O ATOM 231 C2' C A 8 3.418 10.212 3.360 1.00 0.00 C ATOM 232 O2' C A 8 4.613 9.609 2.849 1.00 0.00 O ATOM 233 C1' C A 8 2.188 9.409 2.958 1.00 0.00 C ATOM 234 N1 C A 8 1.656 9.776 1.630 1.00 0.00 N ATOM 235 C2 C A 8 1.803 8.862 0.599 1.00 0.00 C ATOM 236 O2 C A 8 2.382 7.795 0.793 1.00 0.00 O ATOM 237 N3 C A 8 1.289 9.168 -0.623 1.00 0.00 N ATOM 238 C4 C A 8 0.654 10.326 -0.825 1.00 0.00 C ATOM 239 N4 C A 8 0.161 10.561 -2.038 1.00 0.00 N ATOM 240 C5 C A 8 0.500 11.275 0.231 1.00 0.00 C ATOM 241 C6 C A 8 1.012 10.962 1.435 1.00 0.00 C ATOM 0 H5' C A 8 0.255 11.499 5.687 1.00 0.00 H new ATOM 0 H5'' C A 8 1.752 11.800 6.548 1.00 0.00 H new ATOM 0 H4' C A 8 1.629 9.518 6.026 1.00 0.00 H new ATOM 0 H3' C A 8 3.945 10.830 5.406 1.00 0.00 H new ATOM 0 H2' C A 8 3.435 11.236 2.988 1.00 0.00 H new ATOM 0 HO2' C A 8 4.922 8.917 3.471 1.00 0.00 H new ATOM 0 H1' C A 8 2.436 8.349 2.897 1.00 0.00 H new ATOM 0 H41 C A 8 -0.330 11.435 -2.229 1.00 0.00 H new ATOM 0 H42 C A 8 0.274 9.868 -2.777 1.00 0.00 H new ATOM 0 H5 C A 8 -0.011 12.213 0.068 1.00 0.00 H new ATOM 0 H6 C A 8 0.912 11.657 2.255 1.00 0.00 H new ATOM 253 P G A 9 5.018 8.538 6.255 1.00 0.00 P ATOM 254 OP1 G A 9 5.766 9.812 6.372 1.00 0.00 O ATOM 255 OP2 G A 9 5.730 7.302 5.860 1.00 0.00 O ATOM 256 O5' G A 9 4.270 8.261 7.658 1.00 0.00 O ATOM 257 C5' G A 9 3.334 9.207 8.192 1.00 0.00 C ATOM 258 C4' G A 9 2.393 8.565 9.208 1.00 0.00 C ATOM 259 O4' G A 9 1.224 9.388 9.336 1.00 0.00 O ATOM 260 C3' G A 9 1.833 7.211 8.802 1.00 0.00 C ATOM 261 O3' G A 9 2.726 6.206 9.304 1.00 0.00 O ATOM 262 C2' G A 9 0.551 7.135 9.612 1.00 0.00 C ATOM 263 O2' G A 9 0.834 6.801 10.975 1.00 0.00 O ATOM 264 C1' G A 9 0.045 8.574 9.503 1.00 0.00 C ATOM 265 N9 G A 9 -0.855 8.783 8.344 1.00 0.00 N ATOM 266 C8 G A 9 -2.056 9.445 8.309 1.00 0.00 C ATOM 267 N7 G A 9 -2.614 9.465 7.130 1.00 0.00 N ATOM 268 C5 G A 9 -1.720 8.768 6.323 1.00 0.00 C ATOM 269 C6 G A 9 -1.787 8.462 4.934 1.00 0.00 C ATOM 270 O6 G A 9 -2.668 8.750 4.127 1.00 0.00 O ATOM 271 N1 G A 9 -0.683 7.744 4.516 1.00 0.00 N ATOM 272 C2 G A 9 0.357 7.362 5.323 1.00 0.00 C ATOM 273 N2 G A 9 1.342 6.682 4.755 1.00 0.00 N ATOM 274 N3 G A 9 0.434 7.638 6.620 1.00 0.00 N ATOM 275 C4 G A 9 -0.637 8.344 7.054 1.00 0.00 C ATOM 0 H5' G A 9 2.750 9.639 7.379 1.00 0.00 H new ATOM 0 H5'' G A 9 3.876 10.026 8.666 1.00 0.00 H new ATOM 0 H4' G A 9 2.997 8.455 10.108 1.00 0.00 H new ATOM 0 H3' G A 9 1.697 7.080 7.729 1.00 0.00 H new ATOM 0 H2' G A 9 -0.156 6.381 9.266 1.00 0.00 H new ATOM 0 HO2' G A 9 1.741 6.436 11.041 1.00 0.00 H new ATOM 0 H1' G A 9 -0.536 8.827 10.390 1.00 0.00 H new ATOM 0 H8 G A 9 -2.499 9.908 9.178 1.00 0.00 H new ATOM 0 H1 G A 9 -0.639 7.478 3.532 1.00 0.00 H new ATOM 0 H21 G A 9 2.138 6.375 5.314 1.00 0.00 H new ATOM 0 H22 G A 9 1.304 6.465 3.759 1.00 0.00 H new ATOM 287 P G A 10 3.558 5.259 8.296 1.00 0.00 P ATOM 288 OP1 G A 10 4.957 5.190 8.777 1.00 0.00 O ATOM 289 OP2 G A 10 3.278 5.688 6.905 1.00 0.00 O ATOM 290 O5' G A 10 2.881 3.807 8.519 1.00 0.00 O ATOM 291 C5' G A 10 2.293 3.453 9.780 1.00 0.00 C ATOM 292 C4' G A 10 0.773 3.340 9.693 1.00 0.00 C ATOM 293 O4' G A 10 0.293 4.419 8.875 1.00 0.00 O ATOM 294 C3' G A 10 0.264 2.093 8.984 1.00 0.00 C ATOM 295 O3' G A 10 -0.016 1.102 9.982 1.00 0.00 O ATOM 296 C2' G A 10 -1.065 2.555 8.417 1.00 0.00 C ATOM 297 O2' G A 10 -2.067 2.617 9.438 1.00 0.00 O ATOM 298 C1' G A 10 -0.693 3.951 7.942 1.00 0.00 C ATOM 299 N9 G A 10 -0.056 3.903 6.618 1.00 0.00 N ATOM 300 C8 G A 10 1.248 3.600 6.327 1.00 0.00 C ATOM 301 N7 G A 10 1.516 3.608 5.051 1.00 0.00 N ATOM 302 C5 G A 10 0.302 3.941 4.458 1.00 0.00 C ATOM 303 C6 G A 10 -0.029 4.102 3.087 1.00 0.00 C ATOM 304 O6 G A 10 0.700 3.994 2.105 1.00 0.00 O ATOM 305 N1 G A 10 -1.359 4.435 2.921 1.00 0.00 N ATOM 306 C2 G A 10 -2.264 4.599 3.937 1.00 0.00 C ATOM 307 N2 G A 10 -3.502 4.921 3.592 1.00 0.00 N ATOM 308 N3 G A 10 -1.972 4.454 5.228 1.00 0.00 N ATOM 309 C4 G A 10 -0.671 4.125 5.414 1.00 0.00 C ATOM 0 H5' G A 10 2.558 4.202 10.526 1.00 0.00 H new ATOM 0 H5'' G A 10 2.708 2.504 10.119 1.00 0.00 H new ATOM 0 H4' G A 10 0.427 3.334 10.727 1.00 0.00 H new ATOM 0 H3' G A 10 0.955 1.687 8.245 1.00 0.00 H new ATOM 0 H2' G A 10 -1.482 1.904 7.649 1.00 0.00 H new ATOM 0 HO2' G A 10 -1.676 2.353 10.297 1.00 0.00 H new ATOM 0 H1' G A 10 -1.579 4.583 7.880 1.00 0.00 H new ATOM 0 H8 G A 10 1.985 3.375 7.084 1.00 0.00 H new ATOM 0 H1 G A 10 -1.694 4.569 1.967 1.00 0.00 H new ATOM 0 H21 G A 10 -4.213 5.054 4.311 1.00 0.00 H new ATOM 0 H22 G A 10 -3.744 5.035 2.608 1.00 0.00 H new ATOM 321 P G A 11 -0.141 -0.456 9.578 1.00 0.00 P ATOM 322 OP1 G A 11 -0.428 -1.233 10.806 1.00 0.00 O ATOM 323 OP2 G A 11 1.025 -0.812 8.739 1.00 0.00 O ATOM 324 O5' G A 11 -1.458 -0.481 8.644 1.00 0.00 O ATOM 325 C5' G A 11 -2.747 -0.156 9.185 1.00 0.00 C ATOM 326 C4' G A 11 -3.770 0.140 8.088 1.00 0.00 C ATOM 327 O4' G A 11 -3.260 1.153 7.214 1.00 0.00 O ATOM 328 C3' G A 11 -4.063 -1.008 7.144 1.00 0.00 C ATOM 329 O3' G A 11 -5.094 -1.804 7.746 1.00 0.00 O ATOM 330 C2' G A 11 -4.677 -0.280 5.955 1.00 0.00 C ATOM 331 O2' G A 11 -6.047 0.050 6.213 1.00 0.00 O ATOM 332 C1' G A 11 -3.819 0.990 5.895 1.00 0.00 C ATOM 333 N9 G A 11 -2.718 0.886 4.914 1.00 0.00 N ATOM 334 C8 G A 11 -1.371 0.769 5.143 1.00 0.00 C ATOM 335 N7 G A 11 -0.657 0.713 4.055 1.00 0.00 N ATOM 336 C5 G A 11 -1.595 0.799 3.032 1.00 0.00 C ATOM 337 C6 G A 11 -1.412 0.790 1.622 1.00 0.00 C ATOM 338 O6 G A 11 -0.365 0.711 0.987 1.00 0.00 O ATOM 339 N1 G A 11 -2.617 0.893 0.952 1.00 0.00 N ATOM 340 C2 G A 11 -3.845 0.995 1.553 1.00 0.00 C ATOM 341 N2 G A 11 -4.901 1.085 0.757 1.00 0.00 N ATOM 342 N3 G A 11 -4.033 1.007 2.871 1.00 0.00 N ATOM 343 C4 G A 11 -2.863 0.905 3.548 1.00 0.00 C ATOM 0 H5' G A 11 -2.657 0.710 9.840 1.00 0.00 H new ATOM 0 H5'' G A 11 -3.102 -0.984 9.798 1.00 0.00 H new ATOM 0 H4' G A 11 -4.669 0.404 8.646 1.00 0.00 H new ATOM 0 H3' G A 11 -3.206 -1.637 6.902 1.00 0.00 H new ATOM 0 H2' G A 11 -4.683 -0.861 5.033 1.00 0.00 H new ATOM 0 HO2' G A 11 -6.375 -0.483 6.967 1.00 0.00 H new ATOM 0 H1' G A 11 -4.435 1.834 5.583 1.00 0.00 H new ATOM 0 H8 G A 11 -0.942 0.727 6.133 1.00 0.00 H new ATOM 0 H1 G A 11 -2.590 0.893 -0.068 1.00 0.00 H new ATOM 0 H21 G A 11 -5.836 1.163 1.157 1.00 0.00 H new ATOM 0 H22 G A 11 -4.779 1.077 -0.256 1.00 0.00 H new ATOM 355 P U A 12 -5.236 -3.372 7.399 1.00 0.00 P ATOM 356 OP1 U A 12 -6.527 -3.854 7.941 1.00 0.00 O ATOM 357 OP2 U A 12 -3.976 -4.047 7.782 1.00 0.00 O ATOM 358 O5' U A 12 -5.331 -3.372 5.789 1.00 0.00 O ATOM 359 C5' U A 12 -6.565 -3.085 5.119 1.00 0.00 C ATOM 360 C4' U A 12 -6.377 -3.033 3.607 1.00 0.00 C ATOM 361 O4' U A 12 -5.465 -1.975 3.281 1.00 0.00 O ATOM 362 C3' U A 12 -5.732 -4.269 3.011 1.00 0.00 C ATOM 363 O3' U A 12 -6.791 -5.162 2.639 1.00 0.00 O ATOM 364 C2' U A 12 -5.108 -3.733 1.735 1.00 0.00 C ATOM 365 O2' U A 12 -6.099 -3.570 0.715 1.00 0.00 O ATOM 366 C1' U A 12 -4.593 -2.371 2.209 1.00 0.00 C ATOM 367 N1 U A 12 -3.209 -2.435 2.731 1.00 0.00 N ATOM 368 C2 U A 12 -2.176 -2.252 1.832 1.00 0.00 C ATOM 369 O2 U A 12 -2.366 -2.072 0.633 1.00 0.00 O ATOM 370 N3 U A 12 -0.904 -2.296 2.358 1.00 0.00 N ATOM 371 C4 U A 12 -0.576 -2.505 3.680 1.00 0.00 C ATOM 372 O4 U A 12 0.599 -2.530 4.023 1.00 0.00 O ATOM 373 C5 U A 12 -1.705 -2.691 4.559 1.00 0.00 C ATOM 374 C6 U A 12 -2.966 -2.651 4.064 1.00 0.00 C ATOM 0 H5' U A 12 -6.959 -2.132 5.471 1.00 0.00 H new ATOM 0 H5'' U A 12 -7.303 -3.847 5.370 1.00 0.00 H new ATOM 0 H4' U A 12 -7.384 -2.913 3.208 1.00 0.00 H new ATOM 0 H3' U A 12 -5.029 -4.778 3.671 1.00 0.00 H new ATOM 0 H2' U A 12 -4.346 -4.379 1.300 1.00 0.00 H new ATOM 0 HO2' U A 12 -6.887 -4.109 0.935 1.00 0.00 H new ATOM 0 H1' U A 12 -4.584 -1.673 1.372 1.00 0.00 H new ATOM 0 H3 U A 12 -0.131 -2.161 1.707 1.00 0.00 H new ATOM 0 H5 U A 12 -1.545 -2.862 5.613 1.00 0.00 H new ATOM 0 H6 U A 12 -3.800 -2.793 4.735 1.00 0.00 H new ATOM 385 P C A 13 -6.843 -6.663 3.222 1.00 0.00 P ATOM 386 OP1 C A 13 -8.258 -7.096 3.265 1.00 0.00 O ATOM 387 OP2 C A 13 -6.015 -6.716 4.448 1.00 0.00 O ATOM 388 O5' C A 13 -6.087 -7.506 2.075 1.00 0.00 O ATOM 389 C5' C A 13 -6.779 -7.910 0.886 1.00 0.00 C ATOM 390 C4' C A 13 -5.807 -8.282 -0.229 1.00 0.00 C ATOM 391 O4' C A 13 -5.017 -7.138 -0.574 1.00 0.00 O ATOM 392 C3' C A 13 -4.778 -9.332 0.144 1.00 0.00 C ATOM 393 O3' C A 13 -5.352 -10.613 -0.157 1.00 0.00 O ATOM 394 C2' C A 13 -3.675 -9.068 -0.868 1.00 0.00 C ATOM 395 O2' C A 13 -4.013 -9.619 -2.144 1.00 0.00 O ATOM 396 C1' C A 13 -3.680 -7.537 -0.922 1.00 0.00 C ATOM 397 N1 C A 13 -2.736 -6.924 0.040 1.00 0.00 N ATOM 398 C2 C A 13 -1.487 -6.552 -0.431 1.00 0.00 C ATOM 399 O2 C A 13 -1.181 -6.747 -1.604 1.00 0.00 O ATOM 400 N3 C A 13 -0.609 -5.972 0.428 1.00 0.00 N ATOM 401 C4 C A 13 -0.943 -5.762 1.705 1.00 0.00 C ATOM 402 N4 C A 13 -0.038 -5.188 2.490 1.00 0.00 N ATOM 403 C5 C A 13 -2.227 -6.143 2.203 1.00 0.00 C ATOM 404 C6 C A 13 -3.089 -6.717 1.343 1.00 0.00 C ATOM 0 H5' C A 13 -7.428 -7.102 0.549 1.00 0.00 H new ATOM 0 H5'' C A 13 -7.421 -8.762 1.109 1.00 0.00 H new ATOM 0 H4' C A 13 -6.448 -8.661 -1.025 1.00 0.00 H new ATOM 0 H3' C A 13 -4.451 -9.308 1.184 1.00 0.00 H new ATOM 0 H2' C A 13 -2.712 -9.507 -0.607 1.00 0.00 H new ATOM 0 HO2' C A 13 -4.767 -10.237 -2.044 1.00 0.00 H new ATOM 0 H1' C A 13 -3.371 -7.208 -1.914 1.00 0.00 H new ATOM 0 H41 C A 13 -0.253 -5.010 3.471 1.00 0.00 H new ATOM 0 H42 C A 13 0.872 -4.925 2.112 1.00 0.00 H new ATOM 0 H5 C A 13 -2.497 -5.976 3.235 1.00 0.00 H new ATOM 0 H6 C A 13 -4.068 -7.016 1.686 1.00 0.00 H new ATOM 416 P C A 14 -5.610 -11.701 1.006 1.00 0.00 P ATOM 417 OP1 C A 14 -6.857 -12.433 0.691 1.00 0.00 O ATOM 418 OP2 C A 14 -5.460 -11.026 2.315 1.00 0.00 O ATOM 419 O5' C A 14 -4.367 -12.714 0.825 1.00 0.00 O ATOM 420 C5' C A 14 -4.237 -13.515 -0.359 1.00 0.00 C ATOM 421 C4' C A 14 -2.828 -13.426 -0.939 1.00 0.00 C ATOM 422 O4' C A 14 -2.494 -12.048 -1.148 1.00 0.00 O ATOM 423 C3' C A 14 -1.727 -13.940 -0.025 1.00 0.00 C ATOM 424 O3' C A 14 -1.578 -15.358 -0.148 1.00 0.00 O ATOM 425 C2' C A 14 -0.516 -13.213 -0.594 1.00 0.00 C ATOM 426 O2' C A 14 -0.079 -13.829 -1.810 1.00 0.00 O ATOM 427 C1' C A 14 -1.102 -11.826 -0.874 1.00 0.00 C ATOM 428 N1 C A 14 -0.988 -10.917 0.288 1.00 0.00 N ATOM 429 C2 C A 14 0.027 -9.971 0.269 1.00 0.00 C ATOM 430 O2 C A 14 0.793 -9.899 -0.690 1.00 0.00 O ATOM 431 N3 C A 14 0.156 -9.129 1.328 1.00 0.00 N ATOM 432 C4 C A 14 -0.679 -9.209 2.369 1.00 0.00 C ATOM 433 N4 C A 14 -0.493 -8.362 3.376 1.00 0.00 N ATOM 434 C5 C A 14 -1.730 -10.177 2.399 1.00 0.00 C ATOM 435 C6 C A 14 -1.848 -11.005 1.345 1.00 0.00 C ATOM 0 H5' C A 14 -4.961 -13.185 -1.105 1.00 0.00 H new ATOM 0 H5'' C A 14 -4.471 -14.554 -0.125 1.00 0.00 H new ATOM 0 H4' C A 14 -2.865 -14.036 -1.841 1.00 0.00 H new ATOM 0 H3' C A 14 -1.902 -13.765 1.036 1.00 0.00 H new ATOM 0 H2' C A 14 0.354 -13.211 0.063 1.00 0.00 H new ATOM 0 HO2' C A 14 -0.421 -14.746 -1.854 1.00 0.00 H new ATOM 0 HO3' C A 14 -0.863 -15.665 0.448 1.00 0.00 H new ATOM 0 H1' C A 14 -0.563 -11.355 -1.696 1.00 0.00 H new ATOM 0 H41 C A 14 -1.109 -8.392 4.188 1.00 0.00 H new ATOM 0 H42 C A 14 0.266 -7.682 3.337 1.00 0.00 H new ATOM 0 H5 C A 14 -2.406 -10.242 3.239 1.00 0.00 H new ATOM 0 H6 C A 14 -2.632 -11.748 1.335 1.00 0.00 H new TER 448 C A 14 HETATM 449 CO NCO A 15 4.091 -1.023 2.507 1.00 0.00 CO HETATM 450 N1 NCO A 15 2.217 -0.383 2.338 1.00 0.00 N HETATM 451 N2 NCO A 15 5.965 -1.662 2.677 1.00 0.00 N HETATM 452 N3 NCO A 15 4.150 -1.370 0.553 1.00 0.00 N HETATM 453 N4 NCO A 15 4.032 -0.675 4.463 1.00 0.00 N HETATM 454 N5 NCO A 15 3.433 -2.872 2.816 1.00 0.00 N HETATM 455 N6 NCO A 15 4.748 0.827 2.199 1.00 0.00 N