USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 173 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 Set 1.1: A 3 DT C7 :methyl -30:sc= -0.312 (180deg=0) USER MOD Set 1.2: A 4 DT C7 :methyl 150:sc= -1.99 (180deg=-1.68) USER MOD Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 7 DT C7 :methyl 150:sc= -2.25! (180deg=-2.25!) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DT C7 :methyl 150:sc= -4.75 (180deg=-4.75) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -2.393 9.773 -0.627 1.00 0.00 O ATOM 2 C5' DG A 1 -2.885 8.753 0.246 1.00 0.00 C ATOM 3 C4' DG A 1 -2.575 9.056 1.723 1.00 0.00 C ATOM 4 O4' DG A 1 -3.045 8.000 2.579 1.00 0.00 O ATOM 5 C3' DG A 1 -1.102 9.199 2.021 1.00 0.00 C ATOM 6 O3' DG A 1 -0.829 10.086 3.116 1.00 0.00 O ATOM 7 C2' DG A 1 -0.725 7.793 2.297 1.00 0.00 C ATOM 8 C1' DG A 1 -1.882 7.345 3.118 1.00 0.00 C ATOM 9 N9 DG A 1 -1.961 5.880 3.130 1.00 0.00 N ATOM 10 C8 DG A 1 -1.603 5.052 4.130 1.00 0.00 C ATOM 11 N7 DG A 1 -1.745 3.778 3.909 1.00 0.00 N ATOM 12 C5 DG A 1 -2.256 3.766 2.611 1.00 0.00 C ATOM 13 C6 DG A 1 -2.624 2.668 1.792 1.00 0.00 C ATOM 14 O6 DG A 1 -2.569 1.474 2.067 1.00 0.00 O ATOM 15 N1 DG A 1 -3.090 3.083 0.553 1.00 0.00 N ATOM 16 C2 DG A 1 -3.195 4.404 0.149 1.00 0.00 C ATOM 17 N2 DG A 1 -3.663 4.642 -1.074 1.00 0.00 N ATOM 18 N3 DG A 1 -2.851 5.437 0.920 1.00 0.00 N ATOM 19 C4 DG A 1 -2.391 5.046 2.129 1.00 0.00 C ATOM 0 H5' DG A 1 -2.441 7.796 -0.028 1.00 0.00 H new ATOM 0 H5'' DG A 1 -3.963 8.653 0.115 1.00 0.00 H new ATOM 0 H4' DG A 1 -3.082 10.002 1.912 1.00 0.00 H new ATOM 0 H3' DG A 1 -0.531 9.657 1.213 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.616 7.208 1.384 1.00 0.00 H new ATOM 0 H2'' DG A 1 0.218 7.718 2.838 1.00 0.00 H new ATOM 0 HO5' DG A 1 -2.609 9.542 -1.555 1.00 0.00 H new ATOM 0 H1' DG A 1 -1.786 7.622 4.168 1.00 0.00 H new ATOM 0 H8 DG A 1 -1.218 5.426 5.067 1.00 0.00 H new ATOM 0 H1 DG A 1 -3.376 2.362 -0.109 1.00 0.00 H new ATOM 0 H21 DG A 1 -3.755 5.602 -1.407 1.00 0.00 H new ATOM 0 H22 DG A 1 -3.930 3.865 -1.678 1.00 0.00 H new ATOM 32 P DG A 2 0.405 11.129 3.060 1.00 0.00 P ATOM 33 OP1 DG A 2 0.293 12.026 4.233 1.00 0.00 O ATOM 34 OP2 DG A 2 0.459 11.709 1.699 1.00 0.00 O ATOM 35 O5' DG A 2 1.703 10.186 3.251 1.00 0.00 O ATOM 36 C5' DG A 2 2.254 9.900 4.544 1.00 0.00 C ATOM 37 C4' DG A 2 3.271 8.760 4.500 1.00 0.00 C ATOM 38 O4' DG A 2 2.678 7.508 4.156 1.00 0.00 O ATOM 39 C3' DG A 2 4.472 9.008 3.600 1.00 0.00 C ATOM 40 O3' DG A 2 5.647 8.939 4.416 1.00 0.00 O ATOM 41 C2' DG A 2 4.392 7.817 2.673 1.00 0.00 C ATOM 42 C1' DG A 2 3.678 6.751 3.478 1.00 0.00 C ATOM 43 N9 DG A 2 2.960 5.790 2.641 1.00 0.00 N ATOM 44 C8 DG A 2 2.234 6.061 1.541 1.00 0.00 C ATOM 45 N7 DG A 2 1.669 5.046 0.965 1.00 0.00 N ATOM 46 C5 DG A 2 2.066 3.986 1.774 1.00 0.00 C ATOM 47 C6 DG A 2 1.767 2.605 1.664 1.00 0.00 C ATOM 48 O6 DG A 2 1.079 2.054 0.810 1.00 0.00 O ATOM 49 N1 DG A 2 2.362 1.873 2.679 1.00 0.00 N ATOM 50 C2 DG A 2 3.148 2.407 3.683 1.00 0.00 C ATOM 51 N2 DG A 2 3.642 1.558 4.580 1.00 0.00 N ATOM 52 N3 DG A 2 3.431 3.708 3.788 1.00 0.00 N ATOM 53 C4 DG A 2 2.858 4.433 2.803 1.00 0.00 C ATOM 0 H5' DG A 2 1.448 9.639 5.231 1.00 0.00 H new ATOM 0 H5'' DG A 2 2.732 10.796 4.939 1.00 0.00 H new ATOM 0 H4' DG A 2 3.642 8.719 5.524 1.00 0.00 H new ATOM 0 H3' DG A 2 4.493 9.964 3.076 1.00 0.00 H new ATOM 0 H2' DG A 2 3.844 8.060 1.763 1.00 0.00 H new ATOM 0 H2'' DG A 2 5.384 7.485 2.368 1.00 0.00 H new ATOM 0 H1' DG A 2 4.381 6.187 4.091 1.00 0.00 H new ATOM 0 H8 DG A 2 2.128 7.066 1.160 1.00 0.00 H new ATOM 0 H1 DG A 2 2.209 0.865 2.686 1.00 0.00 H new ATOM 0 H21 DG A 2 4.228 1.903 5.340 1.00 0.00 H new ATOM 0 H22 DG A 2 3.435 0.562 4.507 1.00 0.00 H new ATOM 65 P DT A 3 6.687 10.155 4.587 1.00 0.00 P ATOM 66 OP1 DT A 3 7.568 9.845 5.735 1.00 0.00 O ATOM 67 OP2 DT A 3 5.933 11.429 4.556 1.00 0.00 O ATOM 68 O5' DT A 3 7.552 10.019 3.236 1.00 0.00 O ATOM 69 C5' DT A 3 7.849 11.099 2.342 1.00 0.00 C ATOM 70 C4' DT A 3 8.034 10.565 0.922 1.00 0.00 C ATOM 71 O4' DT A 3 9.023 9.522 0.930 1.00 0.00 O ATOM 72 C3' DT A 3 6.754 9.886 0.426 1.00 0.00 C ATOM 73 O3' DT A 3 5.910 10.734 -0.361 1.00 0.00 O ATOM 74 C2' DT A 3 7.288 8.742 -0.412 1.00 0.00 C ATOM 75 C1' DT A 3 8.785 8.731 -0.241 1.00 0.00 C ATOM 76 N1 DT A 3 9.252 7.330 -0.092 1.00 0.00 N ATOM 77 C2 DT A 3 9.926 6.737 -1.154 1.00 0.00 C ATOM 78 O2 DT A 3 10.159 7.319 -2.213 1.00 0.00 O ATOM 79 N3 DT A 3 10.331 5.428 -0.959 1.00 0.00 N ATOM 80 C4 DT A 3 10.129 4.672 0.183 1.00 0.00 C ATOM 81 O4 DT A 3 10.536 3.512 0.236 1.00 0.00 O ATOM 82 C5 DT A 3 9.421 5.368 1.238 1.00 0.00 C ATOM 83 C7 DT A 3 9.141 4.654 2.566 1.00 0.00 C ATOM 84 C6 DT A 3 9.012 6.642 1.072 1.00 0.00 C ATOM 0 H5' DT A 3 8.754 11.613 2.667 1.00 0.00 H new ATOM 0 H5'' DT A 3 7.042 11.831 2.362 1.00 0.00 H new ATOM 0 H4' DT A 3 8.311 11.410 0.292 1.00 0.00 H new ATOM 0 H3' DT A 3 6.115 9.587 1.257 1.00 0.00 H new ATOM 0 H2' DT A 3 6.856 7.794 -0.090 1.00 0.00 H new ATOM 0 H2'' DT A 3 7.021 8.875 -1.460 1.00 0.00 H new ATOM 0 H1' DT A 3 9.329 9.139 -1.093 1.00 0.00 H new ATOM 0 H3 DT A 3 10.825 4.978 -1.730 1.00 0.00 H new ATOM 0 H71 DT A 3 9.036 3.584 2.389 1.00 0.00 H new ATOM 0 H72 DT A 3 9.968 4.828 3.254 1.00 0.00 H new ATOM 0 H73 DT A 3 8.220 5.042 3.000 1.00 0.00 H new ATOM 0 H6 DT A 3 8.482 7.134 1.875 1.00 0.00 H new ATOM 97 P DT A 4 4.355 10.355 -0.597 1.00 0.00 P ATOM 98 OP1 DT A 4 3.771 11.366 -1.507 1.00 0.00 O ATOM 99 OP2 DT A 4 3.733 10.116 0.724 1.00 0.00 O ATOM 100 O5' DT A 4 4.420 8.940 -1.377 1.00 0.00 O ATOM 101 C5' DT A 4 4.656 8.811 -2.788 1.00 0.00 C ATOM 102 C4' DT A 4 4.074 7.483 -3.317 1.00 0.00 C ATOM 103 O4' DT A 4 4.675 6.258 -2.921 1.00 0.00 O ATOM 104 C3' DT A 4 2.572 7.362 -3.090 1.00 0.00 C ATOM 105 O3' DT A 4 1.770 7.362 -4.284 1.00 0.00 O ATOM 106 C2' DT A 4 2.507 6.063 -2.364 1.00 0.00 C ATOM 107 C1' DT A 4 3.644 5.245 -2.872 1.00 0.00 C ATOM 108 N1 DT A 4 4.044 4.266 -1.849 1.00 0.00 N ATOM 109 C2 DT A 4 3.720 2.919 -1.928 1.00 0.00 C ATOM 110 O2 DT A 4 3.084 2.417 -2.852 1.00 0.00 O ATOM 111 N3 DT A 4 4.177 2.141 -0.878 1.00 0.00 N ATOM 112 C4 DT A 4 4.906 2.587 0.211 1.00 0.00 C ATOM 113 O4 DT A 4 5.254 1.795 1.086 1.00 0.00 O ATOM 114 C5 DT A 4 5.190 4.010 0.193 1.00 0.00 C ATOM 115 C7 DT A 4 5.992 4.626 1.333 1.00 0.00 C ATOM 116 C6 DT A 4 4.751 4.777 -0.825 1.00 0.00 C ATOM 0 H5' DT A 4 5.727 8.850 -2.988 1.00 0.00 H new ATOM 0 H5'' DT A 4 4.202 9.649 -3.316 1.00 0.00 H new ATOM 0 H4' DT A 4 4.328 7.594 -4.371 1.00 0.00 H new ATOM 0 H3' DT A 4 2.157 8.218 -2.559 1.00 0.00 H new ATOM 0 H2' DT A 4 2.587 6.214 -1.288 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.556 5.563 -2.546 1.00 0.00 H new ATOM 0 H1' DT A 4 3.439 4.706 -3.797 1.00 0.00 H new ATOM 0 H3 DT A 4 3.956 1.146 -0.910 1.00 0.00 H new ATOM 0 H71 DT A 4 6.555 5.482 0.961 1.00 0.00 H new ATOM 0 H72 DT A 4 5.313 4.953 2.120 1.00 0.00 H new ATOM 0 H73 DT A 4 6.682 3.884 1.735 1.00 0.00 H new ATOM 0 H6 DT A 4 4.974 5.834 -0.818 1.00 0.00 H new ATOM 129 P DG A 5 1.508 8.691 -5.171 1.00 0.00 P ATOM 130 OP1 DG A 5 2.593 8.777 -6.174 1.00 0.00 O ATOM 131 OP2 DG A 5 1.266 9.829 -4.256 1.00 0.00 O ATOM 132 O5' DG A 5 0.130 8.365 -5.959 1.00 0.00 O ATOM 133 C5' DG A 5 -1.173 8.346 -5.346 1.00 0.00 C ATOM 134 C4' DG A 5 -2.087 7.374 -6.132 1.00 0.00 C ATOM 135 O4' DG A 5 -1.459 6.091 -6.061 1.00 0.00 O ATOM 136 C3' DG A 5 -3.562 7.077 -5.742 1.00 0.00 C ATOM 137 O3' DG A 5 -4.313 6.764 -6.936 1.00 0.00 O ATOM 138 C2' DG A 5 -3.434 5.912 -4.843 1.00 0.00 C ATOM 139 C1' DG A 5 -2.435 5.142 -5.642 1.00 0.00 C ATOM 140 N9 DG A 5 -1.763 4.024 -5.015 1.00 0.00 N ATOM 141 C8 DG A 5 -1.521 2.836 -5.570 1.00 0.00 C ATOM 142 N7 DG A 5 -0.859 1.980 -4.844 1.00 0.00 N ATOM 143 C5 DG A 5 -0.651 2.712 -3.669 1.00 0.00 C ATOM 144 C6 DG A 5 0.012 2.356 -2.464 1.00 0.00 C ATOM 145 O6 DG A 5 0.569 1.304 -2.172 1.00 0.00 O ATOM 146 N1 DG A 5 -0.011 3.387 -1.543 1.00 0.00 N ATOM 147 C2 DG A 5 -0.599 4.619 -1.741 1.00 0.00 C ATOM 148 N2 DG A 5 -0.530 5.497 -0.745 1.00 0.00 N ATOM 149 N3 DG A 5 -1.222 4.958 -2.865 1.00 0.00 N ATOM 150 C4 DG A 5 -1.207 3.962 -3.775 1.00 0.00 C ATOM 0 H5' DG A 5 -1.603 9.348 -5.344 1.00 0.00 H new ATOM 0 H5'' DG A 5 -1.095 8.031 -4.306 1.00 0.00 H new ATOM 0 H4' DG A 5 -2.181 7.912 -7.076 1.00 0.00 H new ATOM 0 H3' DG A 5 -4.087 7.905 -5.265 1.00 0.00 H new ATOM 0 H2' DG A 5 -3.071 6.178 -3.851 1.00 0.00 H new ATOM 0 H2'' DG A 5 -4.373 5.376 -4.705 1.00 0.00 H new ATOM 0 H1' DG A 5 -3.002 4.659 -6.438 1.00 0.00 H new ATOM 0 H8 DG A 5 -1.856 2.596 -6.568 1.00 0.00 H new ATOM 0 H1 DG A 5 0.444 3.223 -0.645 1.00 0.00 H new ATOM 0 H21 DG A 5 -0.951 6.420 -0.849 1.00 0.00 H new ATOM 0 H22 DG A 5 -0.056 5.247 0.123 1.00 0.00 H new ATOM 162 P DG A 6 -5.908 6.464 -6.931 1.00 0.00 P ATOM 163 OP1 DG A 6 -6.428 6.673 -8.302 1.00 0.00 O ATOM 164 OP2 DG A 6 -6.531 7.179 -5.792 1.00 0.00 O ATOM 165 O5' DG A 6 -5.936 4.886 -6.627 1.00 0.00 O ATOM 166 C5' DG A 6 -5.693 3.968 -7.697 1.00 0.00 C ATOM 167 C4' DG A 6 -5.944 2.526 -7.264 1.00 0.00 C ATOM 168 O4' DG A 6 -4.884 1.960 -6.504 1.00 0.00 O ATOM 169 C3' DG A 6 -7.270 2.241 -6.619 1.00 0.00 C ATOM 170 O3' DG A 6 -7.893 1.094 -7.164 1.00 0.00 O ATOM 171 C2' DG A 6 -6.746 1.979 -5.267 1.00 0.00 C ATOM 172 C1' DG A 6 -5.488 1.215 -5.468 1.00 0.00 C ATOM 173 N9 DG A 6 -4.661 1.272 -4.285 1.00 0.00 N ATOM 174 C8 DG A 6 -4.264 2.401 -3.710 1.00 0.00 C ATOM 175 N7 DG A 6 -3.545 2.305 -2.659 1.00 0.00 N ATOM 176 C5 DG A 6 -3.447 0.929 -2.520 1.00 0.00 C ATOM 177 C6 DG A 6 -2.780 0.195 -1.533 1.00 0.00 C ATOM 178 O6 DG A 6 -2.150 0.637 -0.575 1.00 0.00 O ATOM 179 N1 DG A 6 -2.933 -1.163 -1.739 1.00 0.00 N ATOM 180 C2 DG A 6 -3.636 -1.752 -2.773 1.00 0.00 C ATOM 181 N2 DG A 6 -3.641 -3.084 -2.840 1.00 0.00 N ATOM 182 N3 DG A 6 -4.277 -1.052 -3.711 1.00 0.00 N ATOM 183 C4 DG A 6 -4.135 0.278 -3.516 1.00 0.00 C ATOM 0 H5' DG A 6 -4.664 4.072 -8.041 1.00 0.00 H new ATOM 0 H5'' DG A 6 -6.337 4.213 -8.541 1.00 0.00 H new ATOM 0 H4' DG A 6 -5.982 2.020 -8.229 1.00 0.00 H new ATOM 0 H3' DG A 6 -8.037 3.009 -6.718 1.00 0.00 H new ATOM 0 H2' DG A 6 -6.558 2.910 -4.732 1.00 0.00 H new ATOM 0 H2'' DG A 6 -7.460 1.409 -4.673 1.00 0.00 H new ATOM 0 H1' DG A 6 -5.638 0.157 -5.684 1.00 0.00 H new ATOM 0 H8 DG A 6 -4.539 3.364 -4.116 1.00 0.00 H new ATOM 0 H1 DG A 6 -2.487 -1.787 -1.067 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.149 -3.555 -3.589 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.137 -3.632 -2.142 1.00 0.00 H new ATOM 195 P DT A 7 -9.445 1.087 -7.573 1.00 0.00 P ATOM 196 OP1 DT A 7 -9.554 1.315 -9.030 1.00 0.00 O ATOM 197 OP2 DT A 7 -10.244 1.888 -6.616 1.00 0.00 O ATOM 198 O5' DT A 7 -9.671 -0.456 -7.272 1.00 0.00 O ATOM 199 C5' DT A 7 -10.263 -0.934 -6.075 1.00 0.00 C ATOM 200 C4' DT A 7 -9.735 -2.289 -5.687 1.00 0.00 C ATOM 201 O4' DT A 7 -9.828 -3.175 -6.791 1.00 0.00 O ATOM 202 C3' DT A 7 -8.374 -2.398 -5.032 1.00 0.00 C ATOM 203 O3' DT A 7 -8.400 -3.578 -4.214 1.00 0.00 O ATOM 204 C2' DT A 7 -7.591 -2.623 -6.301 1.00 0.00 C ATOM 205 C1' DT A 7 -8.500 -3.551 -7.119 1.00 0.00 C ATOM 206 N1 DT A 7 -8.439 -3.398 -8.580 1.00 0.00 N ATOM 207 C2 DT A 7 -8.094 -4.494 -9.358 1.00 0.00 C ATOM 208 O2 DT A 7 -7.798 -5.590 -8.885 1.00 0.00 O ATOM 209 N3 DT A 7 -8.102 -4.284 -10.721 1.00 0.00 N ATOM 210 C4 DT A 7 -8.414 -3.100 -11.359 1.00 0.00 C ATOM 211 O4 DT A 7 -8.392 -3.046 -12.587 1.00 0.00 O ATOM 212 C5 DT A 7 -8.760 -2.004 -10.471 1.00 0.00 C ATOM 213 C7 DT A 7 -9.123 -0.654 -11.112 1.00 0.00 C ATOM 214 C6 DT A 7 -8.761 -2.190 -9.122 1.00 0.00 C ATOM 0 H5' DT A 7 -11.344 -0.989 -6.202 1.00 0.00 H new ATOM 0 H5'' DT A 7 -10.072 -0.226 -5.268 1.00 0.00 H new ATOM 0 H4' DT A 7 -10.393 -2.567 -4.864 1.00 0.00 H new ATOM 0 H3' DT A 7 -8.016 -1.588 -4.397 1.00 0.00 H new ATOM 0 H2' DT A 7 -7.397 -1.687 -6.825 1.00 0.00 H new ATOM 0 H2'' DT A 7 -6.623 -3.083 -6.100 1.00 0.00 H new ATOM 0 H1' DT A 7 -8.185 -4.566 -6.879 1.00 0.00 H new ATOM 0 H3 DT A 7 -7.854 -5.077 -11.313 1.00 0.00 H new ATOM 0 H71 DT A 7 -9.832 -0.127 -10.473 1.00 0.00 H new ATOM 0 H72 DT A 7 -8.222 -0.052 -11.228 1.00 0.00 H new ATOM 0 H73 DT A 7 -9.573 -0.825 -12.090 1.00 0.00 H new ATOM 0 H6 DT A 7 -9.021 -1.368 -8.472 1.00 0.00 H new ATOM 227 P DG A 8 -7.256 -3.946 -3.149 1.00 0.00 P ATOM 228 OP1 DG A 8 -5.968 -3.996 -3.873 1.00 0.00 O ATOM 229 OP2 DG A 8 -7.705 -5.123 -2.373 1.00 0.00 O ATOM 230 O5' DG A 8 -7.237 -2.686 -2.150 1.00 0.00 O ATOM 231 C5' DG A 8 -6.442 -2.748 -0.966 1.00 0.00 C ATOM 232 C4' DG A 8 -6.619 -1.508 -0.046 1.00 0.00 C ATOM 233 O4' DG A 8 -5.751 -0.374 -0.230 1.00 0.00 O ATOM 234 C3' DG A 8 -7.785 -1.210 0.895 1.00 0.00 C ATOM 235 O3' DG A 8 -7.508 -1.669 2.221 1.00 0.00 O ATOM 236 C2' DG A 8 -7.691 0.274 0.815 1.00 0.00 C ATOM 237 C1' DG A 8 -6.256 0.727 0.567 1.00 0.00 C ATOM 238 N9 DG A 8 -6.505 1.779 -0.442 1.00 0.00 N ATOM 239 C8 DG A 8 -6.656 1.547 -1.767 1.00 0.00 C ATOM 240 N7 DG A 8 -6.919 2.567 -2.513 1.00 0.00 N ATOM 241 C5 DG A 8 -6.950 3.605 -1.584 1.00 0.00 C ATOM 242 C6 DG A 8 -7.199 4.989 -1.785 1.00 0.00 C ATOM 243 O6 DG A 8 -7.442 5.575 -2.838 1.00 0.00 O ATOM 244 N1 DG A 8 -7.148 5.699 -0.596 1.00 0.00 N ATOM 245 C2 DG A 8 -6.887 5.147 0.643 1.00 0.00 C ATOM 246 N2 DG A 8 -6.878 5.986 1.677 1.00 0.00 N ATOM 247 N3 DG A 8 -6.651 3.845 0.839 1.00 0.00 N ATOM 248 C4 DG A 8 -6.699 3.135 -0.312 1.00 0.00 C ATOM 0 H5' DG A 8 -5.392 -2.839 -1.245 1.00 0.00 H new ATOM 0 H5'' DG A 8 -6.702 -3.647 -0.408 1.00 0.00 H new ATOM 0 H4' DG A 8 -6.385 -2.436 0.475 1.00 0.00 H new ATOM 0 H3' DG A 8 -8.746 -1.663 0.652 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.333 0.638 0.013 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.058 0.714 1.742 1.00 0.00 H new ATOM 0 H1' DG A 8 -5.645 1.004 1.426 1.00 0.00 H new ATOM 0 H8 DG A 8 -6.561 0.554 -2.181 1.00 0.00 H new ATOM 0 H1 DG A 8 -7.316 6.704 -0.639 1.00 0.00 H new ATOM 0 H21 DG A 8 -6.691 5.636 2.616 1.00 0.00 H new ATOM 0 H22 DG A 8 -7.058 6.979 1.529 1.00 0.00 H new ATOM 260 P DT A 9 -7.744 -3.205 2.674 1.00 0.00 P ATOM 261 OP1 DT A 9 -8.603 -3.884 1.676 1.00 0.00 O ATOM 262 OP2 DT A 9 -8.143 -3.190 4.099 1.00 0.00 O ATOM 263 O5' DT A 9 -6.262 -3.825 2.599 1.00 0.00 O ATOM 264 C5' DT A 9 -5.619 -4.640 1.601 1.00 0.00 C ATOM 265 C4' DT A 9 -4.373 -5.263 2.366 1.00 0.00 C ATOM 266 O4' DT A 9 -3.619 -4.252 3.094 1.00 0.00 O ATOM 267 C3' DT A 9 -4.509 -6.396 3.416 1.00 0.00 C ATOM 268 O3' DT A 9 -3.400 -7.318 3.332 1.00 0.00 O ATOM 269 C2' DT A 9 -4.578 -5.607 4.712 1.00 0.00 C ATOM 270 C1' DT A 9 -3.525 -4.539 4.523 1.00 0.00 C ATOM 271 N1 DT A 9 -3.666 -3.300 5.335 1.00 0.00 N ATOM 272 C2 DT A 9 -3.006 -3.137 6.544 1.00 0.00 C ATOM 273 O2 DT A 9 -2.301 -4.011 7.040 1.00 0.00 O ATOM 274 N3 DT A 9 -3.197 -1.908 7.170 1.00 0.00 N ATOM 275 C4 DT A 9 -3.977 -0.858 6.694 1.00 0.00 C ATOM 276 O4 DT A 9 -4.075 0.190 7.335 1.00 0.00 O ATOM 277 C5 DT A 9 -4.617 -1.148 5.425 1.00 0.00 C ATOM 278 C7 DT A 9 -5.514 -0.138 4.695 1.00 0.00 C ATOM 279 C6 DT A 9 -4.432 -2.326 4.831 1.00 0.00 C ATOM 0 H5' DT A 9 -5.305 -4.047 0.742 1.00 0.00 H new ATOM 0 H5'' DT A 9 -6.287 -5.416 1.226 1.00 0.00 H new ATOM 0 H4' DT A 9 -3.923 -5.715 1.482 1.00 0.00 H new ATOM 0 H3' DT A 9 -5.373 -7.049 3.290 1.00 0.00 H new ATOM 0 H2' DT A 9 -5.566 -5.175 4.868 1.00 0.00 H new ATOM 0 H2'' DT A 9 -4.364 -6.234 5.577 1.00 0.00 H new ATOM 0 H1' DT A 9 -2.558 -4.903 4.871 1.00 0.00 H new ATOM 0 H3 DT A 9 -2.721 -1.764 8.060 1.00 0.00 H new ATOM 0 H71 DT A 9 -5.448 -0.304 3.620 1.00 0.00 H new ATOM 0 H72 DT A 9 -6.546 -0.267 5.020 1.00 0.00 H new ATOM 0 H73 DT A 9 -5.185 0.875 4.927 1.00 0.00 H new ATOM 0 H6 DT A 9 -4.929 -2.505 3.889 1.00 0.00 H new ATOM 292 P DG A 10 -3.532 -8.779 2.615 1.00 0.00 P ATOM 293 OP1 DG A 10 -4.943 -9.216 2.720 1.00 0.00 O ATOM 294 OP2 DG A 10 -2.469 -9.647 3.171 1.00 0.00 O ATOM 295 O5' DG A 10 -3.221 -8.545 1.035 1.00 0.00 O ATOM 296 C5' DG A 10 -1.899 -8.677 0.489 1.00 0.00 C ATOM 297 C4' DG A 10 -1.895 -8.724 -1.082 1.00 0.00 C ATOM 298 O4' DG A 10 -2.345 -7.471 -1.631 1.00 0.00 O ATOM 299 C3' DG A 10 -0.591 -9.044 -1.890 1.00 0.00 C ATOM 300 O3' DG A 10 -0.865 -9.909 -3.011 1.00 0.00 O ATOM 301 C2' DG A 10 -0.137 -7.726 -2.409 1.00 0.00 C ATOM 302 C1' DG A 10 -1.474 -7.081 -2.713 1.00 0.00 C ATOM 303 N9 DG A 10 -1.270 -5.640 -2.694 1.00 0.00 N ATOM 304 C8 DG A 10 -1.325 -4.747 -3.702 1.00 0.00 C ATOM 305 N7 DG A 10 -1.074 -3.514 -3.373 1.00 0.00 N ATOM 306 C5 DG A 10 -0.828 -3.613 -2.006 1.00 0.00 C ATOM 307 C6 DG A 10 -0.495 -2.621 -1.062 1.00 0.00 C ATOM 308 O6 DG A 10 -0.367 -1.415 -1.226 1.00 0.00 O ATOM 309 N1 DG A 10 -0.336 -3.133 0.197 1.00 0.00 N ATOM 310 C2 DG A 10 -0.479 -4.464 0.536 1.00 0.00 C ATOM 311 N2 DG A 10 -0.316 -4.827 1.804 1.00 0.00 N ATOM 312 N3 DG A 10 -0.792 -5.405 -0.348 1.00 0.00 N ATOM 313 C4 DG A 10 -0.949 -4.908 -1.591 1.00 0.00 C ATOM 0 H5' DG A 10 -1.439 -9.586 0.877 1.00 0.00 H new ATOM 0 H5'' DG A 10 -1.286 -7.841 0.825 1.00 0.00 H new ATOM 0 H4' DG A 10 -2.541 -9.593 -1.210 1.00 0.00 H new ATOM 0 H3' DG A 10 0.145 -9.548 -1.263 1.00 0.00 H new ATOM 0 H2' DG A 10 0.437 -7.165 -1.672 1.00 0.00 H new ATOM 0 H2'' DG A 10 0.489 -7.822 -3.296 1.00 0.00 H new ATOM 0 H1' DG A 10 -1.892 -7.375 -3.676 1.00 0.00 H new ATOM 0 H8 DG A 10 -1.562 -5.036 -4.715 1.00 0.00 H new ATOM 0 H1 DG A 10 -0.093 -2.481 0.943 1.00 0.00 H new ATOM 0 H21 DG A 10 -0.418 -5.806 2.071 1.00 0.00 H new ATOM 0 H22 DG A 10 -0.089 -4.127 2.510 1.00 0.00 H new ATOM 325 P DG A 11 0.296 -10.554 -3.949 1.00 0.00 P ATOM 326 OP1 DG A 11 -0.366 -11.451 -4.925 1.00 0.00 O ATOM 327 OP2 DG A 11 1.349 -11.098 -3.062 1.00 0.00 O ATOM 328 O5' DG A 11 0.932 -9.298 -4.764 1.00 0.00 O ATOM 329 C5' DG A 11 0.404 -8.850 -6.026 1.00 0.00 C ATOM 330 C4' DG A 11 0.981 -7.500 -6.504 1.00 0.00 C ATOM 331 O4' DG A 11 0.686 -6.429 -5.606 1.00 0.00 O ATOM 332 C3' DG A 11 2.473 -7.449 -6.842 1.00 0.00 C ATOM 333 O3' DG A 11 2.556 -7.309 -8.262 1.00 0.00 O ATOM 334 C2' DG A 11 2.943 -6.226 -6.075 1.00 0.00 C ATOM 335 C1' DG A 11 1.693 -5.439 -5.824 1.00 0.00 C ATOM 336 N9 DG A 11 1.890 -4.670 -4.617 1.00 0.00 N ATOM 337 C8 DG A 11 2.362 -5.104 -3.439 1.00 0.00 C ATOM 338 N7 DG A 11 2.497 -4.205 -2.513 1.00 0.00 N ATOM 339 C5 DG A 11 2.055 -3.054 -3.169 1.00 0.00 C ATOM 340 C6 DG A 11 1.952 -1.724 -2.708 1.00 0.00 C ATOM 341 O6 DG A 11 2.256 -1.274 -1.609 1.00 0.00 O ATOM 342 N1 DG A 11 1.453 -0.882 -3.690 1.00 0.00 N ATOM 343 C2 DG A 11 1.096 -1.259 -4.966 1.00 0.00 C ATOM 344 N2 DG A 11 0.617 -0.318 -5.780 1.00 0.00 N ATOM 345 N3 DG A 11 1.199 -2.510 -5.403 1.00 0.00 N ATOM 346 C4 DG A 11 1.680 -3.341 -4.456 1.00 0.00 C ATOM 0 H5' DG A 11 -0.679 -8.762 -5.944 1.00 0.00 H new ATOM 0 H5'' DG A 11 0.606 -9.608 -6.783 1.00 0.00 H new ATOM 0 H4' DG A 11 0.459 -7.379 -7.453 1.00 0.00 H new ATOM 0 H3' DG A 11 3.078 -8.316 -6.576 1.00 0.00 H new ATOM 0 H2' DG A 11 3.430 -6.506 -5.141 1.00 0.00 H new ATOM 0 H2'' DG A 11 3.666 -5.649 -6.652 1.00 0.00 H new ATOM 0 H1' DG A 11 1.430 -4.761 -6.636 1.00 0.00 H new ATOM 0 H8 DG A 11 2.615 -6.140 -3.271 1.00 0.00 H new ATOM 0 H1 DG A 11 1.340 0.102 -3.447 1.00 0.00 H new ATOM 0 H21 DG A 11 0.342 -0.559 -6.732 1.00 0.00 H new ATOM 0 H22 DG A 11 0.526 0.643 -5.450 1.00 0.00 H new ATOM 358 P DT A 12 3.465 -8.275 -9.169 1.00 0.00 P ATOM 359 OP1 DT A 12 3.017 -8.149 -10.574 1.00 0.00 O ATOM 360 OP2 DT A 12 3.542 -9.608 -8.527 1.00 0.00 O ATOM 361 O5' DT A 12 4.872 -7.527 -9.010 1.00 0.00 O ATOM 362 C5' DT A 12 6.123 -8.173 -8.766 1.00 0.00 C ATOM 363 C4' DT A 12 7.144 -7.129 -8.325 1.00 0.00 C ATOM 364 O4' DT A 12 7.208 -6.105 -9.342 1.00 0.00 O ATOM 365 C3' DT A 12 6.727 -6.444 -7.010 1.00 0.00 C ATOM 366 O3' DT A 12 7.286 -7.113 -5.866 1.00 0.00 O ATOM 367 C2' DT A 12 7.378 -5.099 -7.230 1.00 0.00 C ATOM 368 C1' DT A 12 7.172 -4.812 -8.715 1.00 0.00 C ATOM 369 N1 DT A 12 5.992 -3.959 -9.060 1.00 0.00 N ATOM 370 C2 DT A 12 6.197 -2.580 -9.055 1.00 0.00 C ATOM 371 O2 DT A 12 7.279 -2.061 -8.777 1.00 0.00 O ATOM 372 N3 DT A 12 5.107 -1.795 -9.380 1.00 0.00 N ATOM 373 C4 DT A 12 3.844 -2.247 -9.710 1.00 0.00 C ATOM 374 O4 DT A 12 2.952 -1.444 -9.978 1.00 0.00 O ATOM 375 C5 DT A 12 3.709 -3.688 -9.694 1.00 0.00 C ATOM 376 C7 DT A 12 2.352 -4.309 -10.053 1.00 0.00 C ATOM 377 C6 DT A 12 4.756 -4.487 -9.378 1.00 0.00 C ATOM 0 H5' DT A 12 6.468 -8.679 -9.668 1.00 0.00 H new ATOM 0 H5'' DT A 12 6.009 -8.936 -7.996 1.00 0.00 H new ATOM 0 H4' DT A 12 8.101 -7.630 -8.176 1.00 0.00 H new ATOM 0 H3' DT A 12 5.656 -6.425 -6.810 1.00 0.00 H new ATOM 0 H2' DT A 12 6.918 -4.330 -6.610 1.00 0.00 H new ATOM 0 H2'' DT A 12 8.437 -5.124 -6.974 1.00 0.00 H new ATOM 0 H1' DT A 12 7.960 -4.164 -9.099 1.00 0.00 H new ATOM 0 H3 DT A 12 5.249 -0.785 -9.376 1.00 0.00 H new ATOM 0 H71 DT A 12 2.508 -5.288 -10.506 1.00 0.00 H new ATOM 0 H72 DT A 12 1.752 -4.419 -9.150 1.00 0.00 H new ATOM 0 H73 DT A 12 1.831 -3.662 -10.758 1.00 0.00 H new ATOM 0 H6 DT A 12 4.622 -5.559 -9.375 1.00 0.00 H new ATOM 390 P DT A 13 6.497 -7.356 -4.470 1.00 0.00 P ATOM 391 OP1 DT A 13 7.204 -8.439 -3.750 1.00 0.00 O ATOM 392 OP2 DT A 13 5.060 -7.520 -4.772 1.00 0.00 O ATOM 393 O5' DT A 13 6.672 -5.988 -3.611 1.00 0.00 O ATOM 394 C5' DT A 13 7.771 -5.804 -2.701 1.00 0.00 C ATOM 395 C4' DT A 13 7.528 -4.721 -1.630 1.00 0.00 C ATOM 396 O4' DT A 13 7.353 -3.413 -2.215 1.00 0.00 O ATOM 397 C3' DT A 13 6.303 -4.986 -0.729 1.00 0.00 C ATOM 398 O3' DT A 13 6.456 -4.501 0.620 1.00 0.00 O ATOM 399 C2' DT A 13 5.290 -4.113 -1.423 1.00 0.00 C ATOM 400 C1' DT A 13 6.085 -2.880 -1.800 1.00 0.00 C ATOM 401 N1 DT A 13 5.426 -2.051 -2.839 1.00 0.00 N ATOM 402 C2 DT A 13 5.080 -0.742 -2.522 1.00 0.00 C ATOM 403 O2 DT A 13 5.273 -0.235 -1.417 1.00 0.00 O ATOM 404 N3 DT A 13 4.479 -0.015 -3.530 1.00 0.00 N ATOM 405 C4 DT A 13 4.194 -0.463 -4.804 1.00 0.00 C ATOM 406 O4 DT A 13 3.657 0.285 -5.618 1.00 0.00 O ATOM 407 C5 DT A 13 4.586 -1.833 -5.041 1.00 0.00 C ATOM 408 C7 DT A 13 4.316 -2.471 -6.395 1.00 0.00 C ATOM 409 C6 DT A 13 5.174 -2.566 -4.082 1.00 0.00 C ATOM 0 H5' DT A 13 8.661 -5.541 -3.272 1.00 0.00 H new ATOM 0 H5'' DT A 13 7.979 -6.751 -2.204 1.00 0.00 H new ATOM 0 H4' DT A 13 8.428 -4.759 -1.017 1.00 0.00 H new ATOM 0 H3' DT A 13 6.081 -6.048 -0.623 1.00 0.00 H new ATOM 0 H2' DT A 13 4.871 -4.604 -2.301 1.00 0.00 H new ATOM 0 H2'' DT A 13 4.455 -3.867 -0.767 1.00 0.00 H new ATOM 0 H1' DT A 13 6.182 -2.179 -0.971 1.00 0.00 H new ATOM 0 H3 DT A 13 4.220 0.947 -3.312 1.00 0.00 H new ATOM 0 H71 DT A 13 5.078 -3.222 -6.602 1.00 0.00 H new ATOM 0 H72 DT A 13 3.334 -2.944 -6.385 1.00 0.00 H new ATOM 0 H73 DT A 13 4.342 -1.705 -7.170 1.00 0.00 H new ATOM 0 H6 DT A 13 5.455 -3.587 -4.296 1.00 0.00 H new ATOM 422 P DG A 14 7.396 -5.172 1.753 1.00 0.00 P ATOM 423 OP1 DG A 14 8.344 -4.129 2.204 1.00 0.00 O ATOM 424 OP2 DG A 14 7.917 -6.455 1.232 1.00 0.00 O ATOM 425 O5' DG A 14 6.406 -5.503 2.995 1.00 0.00 O ATOM 426 C5' DG A 14 6.969 -5.875 4.267 1.00 0.00 C ATOM 427 C4' DG A 14 5.999 -5.746 5.454 1.00 0.00 C ATOM 428 O4' DG A 14 5.464 -4.407 5.539 1.00 0.00 O ATOM 429 C3' DG A 14 4.794 -6.693 5.442 1.00 0.00 C ATOM 430 O3' DG A 14 4.488 -7.056 6.804 1.00 0.00 O ATOM 431 C2' DG A 14 3.777 -5.810 4.764 1.00 0.00 C ATOM 432 C1' DG A 14 4.032 -4.452 5.391 1.00 0.00 C ATOM 433 N9 DG A 14 3.561 -3.303 4.589 1.00 0.00 N ATOM 434 C8 DG A 14 3.387 -2.016 4.990 1.00 0.00 C ATOM 435 N7 DG A 14 2.971 -1.188 4.086 1.00 0.00 N ATOM 436 C5 DG A 14 2.852 -1.996 2.962 1.00 0.00 C ATOM 437 C6 DG A 14 2.436 -1.660 1.652 1.00 0.00 C ATOM 438 O6 DG A 14 2.087 -0.560 1.233 1.00 0.00 O ATOM 439 N1 DG A 14 2.453 -2.762 0.813 1.00 0.00 N ATOM 440 C2 DG A 14 2.823 -4.038 1.189 1.00 0.00 C ATOM 441 N2 DG A 14 2.763 -4.989 0.257 1.00 0.00 N ATOM 442 N3 DG A 14 3.215 -4.353 2.421 1.00 0.00 N ATOM 443 C4 DG A 14 3.206 -3.290 3.255 1.00 0.00 C ATOM 0 H5' DG A 14 7.844 -5.253 4.459 1.00 0.00 H new ATOM 0 H5'' DG A 14 7.317 -6.906 4.209 1.00 0.00 H new ATOM 0 H4' DG A 14 6.622 -6.013 6.308 1.00 0.00 H new ATOM 0 H3' DG A 14 4.895 -7.653 4.935 1.00 0.00 H new ATOM 0 H2' DG A 14 3.918 -5.788 3.683 1.00 0.00 H new ATOM 0 H2'' DG A 14 2.759 -6.154 4.946 1.00 0.00 H new ATOM 0 H1' DG A 14 3.477 -4.357 6.324 1.00 0.00 H new ATOM 0 H8 DG A 14 3.584 -1.702 6.004 1.00 0.00 H new ATOM 0 H1 DG A 14 2.171 -2.620 -0.157 1.00 0.00 H new ATOM 0 H21 DG A 14 3.027 -5.947 0.488 1.00 0.00 H new ATOM 0 H22 DG A 14 2.453 -4.759 -0.687 1.00 0.00 H new ATOM 455 P DG A 15 3.018 -7.337 7.423 1.00 0.00 P ATOM 456 OP1 DG A 15 3.192 -8.086 8.688 1.00 0.00 O ATOM 457 OP2 DG A 15 2.154 -7.890 6.356 1.00 0.00 O ATOM 458 O5' DG A 15 2.489 -5.853 7.784 1.00 0.00 O ATOM 459 C5' DG A 15 3.111 -5.076 8.819 1.00 0.00 C ATOM 460 C4' DG A 15 2.307 -3.827 9.214 1.00 0.00 C ATOM 461 O4' DG A 15 2.103 -2.954 8.080 1.00 0.00 O ATOM 462 C3' DG A 15 0.909 -4.157 9.752 1.00 0.00 C ATOM 463 O3' DG A 15 0.451 -3.073 10.570 1.00 0.00 O ATOM 464 C2' DG A 15 0.132 -4.132 8.461 1.00 0.00 C ATOM 465 C1' DG A 15 0.695 -2.894 7.780 1.00 0.00 C ATOM 466 N9 DG A 15 0.434 -2.780 6.331 1.00 0.00 N ATOM 467 C8 DG A 15 0.619 -3.688 5.334 1.00 0.00 C ATOM 468 N7 DG A 15 0.313 -3.288 4.138 1.00 0.00 N ATOM 469 C5 DG A 15 -0.120 -1.985 4.351 1.00 0.00 C ATOM 470 C6 DG A 15 -0.587 -1.023 3.420 1.00 0.00 C ATOM 471 O6 DG A 15 -0.705 -1.140 2.204 1.00 0.00 O ATOM 472 N1 DG A 15 -0.927 0.166 4.037 1.00 0.00 N ATOM 473 C2 DG A 15 -0.829 0.411 5.391 1.00 0.00 C ATOM 474 N2 DG A 15 -1.202 1.622 5.807 1.00 0.00 N ATOM 475 N3 DG A 15 -0.388 -0.492 6.273 1.00 0.00 N ATOM 476 C4 DG A 15 -0.053 -1.664 5.684 1.00 0.00 C ATOM 0 H5' DG A 15 4.103 -4.770 8.486 1.00 0.00 H new ATOM 0 H5'' DG A 15 3.250 -5.703 9.700 1.00 0.00 H new ATOM 0 H4' DG A 15 2.903 -3.350 9.992 1.00 0.00 H new ATOM 0 H3' DG A 15 0.838 -5.071 10.341 1.00 0.00 H new ATOM 0 H2' DG A 15 0.294 -5.033 7.869 1.00 0.00 H new ATOM 0 H2'' DG A 15 -0.942 -4.052 8.632 1.00 0.00 H new ATOM 0 HO3' DG A 15 -0.443 -3.278 10.915 1.00 0.00 H new ATOM 0 H1' DG A 15 0.200 -1.998 8.154 1.00 0.00 H new ATOM 0 H8 DG A 15 0.997 -4.681 5.527 1.00 0.00 H new ATOM 0 H1 DG A 15 -1.277 0.920 3.446 1.00 0.00 H new ATOM 0 H21 DG A 15 -1.151 1.859 6.798 1.00 0.00 H new ATOM 0 H22 DG A 15 -1.538 2.311 5.134 1.00 0.00 H new TER 489 DG A 15