USER MOD reduce.3.24.130724 H: found=0, std=0, add=184, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 184 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 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.539 (180deg=-0.539) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT C7 :methyl 150:sc=-0.00861 (180deg=-0.00861) USER MOD Single : B 3 DT C7 :methyl 150:sc= -0.013 (180deg=-0.013) USER MOD Single : B 4 DT C7 :methyl 150:sc= -0.0223 (180deg=-0.0223) USER MOD Single : B 7 DT C7 :methyl 150:sc= -0.251 (180deg=-0.251) USER MOD Single : B 8 DT C7 :methyl 150:sc= -0.116 (180deg=-0.116) USER MOD ----------------------------------------------------------------- ATOM 1 P DC A 1 5.878 2.843 -8.827 1.00 8.00 P ATOM 2 OP1 DC A 1 4.778 3.689 -9.351 1.00 8.00 O ATOM 3 OP2 DC A 1 5.543 1.492 -8.329 1.00 8.00 O ATOM 4 O5' DC A 1 6.992 2.689 -9.972 1.00 8.00 O ATOM 5 C5' DC A 1 7.583 1.438 -10.287 1.00 8.00 C ATOM 6 C4' DC A 1 8.932 1.149 -9.607 1.00 8.00 C ATOM 7 O4' DC A 1 9.951 1.901 -10.248 1.00 8.00 O ATOM 8 C3' DC A 1 9.081 1.361 -8.100 1.00 8.00 C ATOM 9 O3' DC A 1 9.708 0.253 -7.500 1.00 8.00 O ATOM 10 C2' DC A 1 10.022 2.539 -7.975 1.00 8.00 C ATOM 11 C1' DC A 1 10.808 2.467 -9.278 1.00 8.00 C ATOM 12 N1 DC A 1 11.153 3.833 -9.718 1.00 8.00 N ATOM 13 C2 DC A 1 12.481 4.226 -9.727 1.00 8.00 C ATOM 14 O2 DC A 1 13.366 3.456 -9.370 1.00 8.00 O ATOM 15 N3 DC A 1 12.797 5.480 -10.130 1.00 8.00 N ATOM 16 C4 DC A 1 11.838 6.306 -10.499 1.00 8.00 C ATOM 17 N4 DC A 1 12.221 7.506 -10.870 1.00 8.00 N ATOM 18 C5 DC A 1 10.461 5.953 -10.487 1.00 8.00 C ATOM 19 C6 DC A 1 10.161 4.698 -10.090 1.00 8.00 C ATOM 0 H5' DC A 1 7.722 1.384 -11.367 1.00 8.00 H new ATOM 0 H5'' DC A 1 6.883 0.647 -10.016 1.00 8.00 H new ATOM 0 H4' DC A 1 9.010 0.068 -9.723 1.00 8.00 H new ATOM 0 H3' DC A 1 8.112 1.508 -7.624 1.00 8.00 H new ATOM 0 H2' DC A 1 9.483 3.481 -7.877 1.00 8.00 H new ATOM 0 H2'' DC A 1 10.671 2.451 -7.103 1.00 8.00 H new ATOM 0 H1' DC A 1 11.718 1.881 -9.146 1.00 8.00 H new ATOM 0 H41 DC A 1 11.528 8.193 -11.167 1.00 8.00 H new ATOM 0 H42 DC A 1 13.211 7.751 -10.861 1.00 8.00 H new ATOM 0 H5 DC A 1 9.693 6.654 -10.781 1.00 8.00 H new ATOM 0 H6 DC A 1 9.131 4.375 -10.066 1.00 8.00 H new ATOM 31 P DA A 2 8.862 -1.032 -7.089 1.00 8.00 P ATOM 32 OP1 DA A 2 9.808 -2.158 -6.907 1.00 8.00 O ATOM 33 OP2 DA A 2 7.709 -1.177 -8.011 1.00 8.00 O ATOM 34 O5' DA A 2 8.264 -0.647 -5.663 1.00 8.00 O ATOM 35 C5' DA A 2 9.082 -0.176 -4.618 1.00 8.00 C ATOM 36 C4' DA A 2 8.606 -0.707 -3.259 1.00 8.00 C ATOM 37 O4' DA A 2 7.315 -0.183 -3.021 1.00 8.00 O ATOM 38 C3' DA A 2 8.509 -2.242 -3.207 1.00 8.00 C ATOM 39 O3' DA A 2 9.089 -2.897 -2.091 1.00 8.00 O ATOM 40 C2' DA A 2 7.026 -2.562 -3.350 1.00 8.00 C ATOM 41 C1' DA A 2 6.346 -1.207 -3.132 1.00 8.00 C ATOM 42 N9 DA A 2 5.378 -0.908 -4.207 1.00 8.00 N ATOM 43 C8 DA A 2 5.398 -1.235 -5.541 1.00 8.00 C ATOM 44 N7 DA A 2 4.331 -0.899 -6.212 1.00 8.00 N ATOM 45 C5 DA A 2 3.538 -0.309 -5.223 1.00 8.00 C ATOM 46 C6 DA A 2 2.252 0.252 -5.200 1.00 8.00 C ATOM 47 N6 DA A 2 1.475 0.318 -6.266 1.00 8.00 N ATOM 48 N1 DA A 2 1.724 0.681 -4.054 1.00 8.00 N ATOM 49 C2 DA A 2 2.461 0.601 -2.956 1.00 8.00 C ATOM 50 N3 DA A 2 3.686 0.134 -2.833 1.00 8.00 N ATOM 51 C4 DA A 2 4.173 -0.299 -4.014 1.00 8.00 C ATOM 0 H5' DA A 2 9.073 0.914 -4.609 1.00 8.00 H new ATOM 0 H5'' DA A 2 10.113 -0.485 -4.792 1.00 8.00 H new ATOM 0 H4' DA A 2 9.336 -0.399 -2.510 1.00 8.00 H new ATOM 0 H3' DA A 2 9.123 -2.641 -4.015 1.00 8.00 H new ATOM 0 H2' DA A 2 6.797 -2.973 -4.333 1.00 8.00 H new ATOM 0 H2'' DA A 2 6.701 -3.297 -2.614 1.00 8.00 H new ATOM 0 H1' DA A 2 5.787 -1.256 -2.198 1.00 8.00 H new ATOM 0 H8 DA A 2 6.237 -1.735 -6.002 1.00 8.00 H new ATOM 0 H61 DA A 2 0.547 0.736 -6.196 1.00 8.00 H new ATOM 0 H62 DA A 2 1.803 -0.049 -7.159 1.00 8.00 H new ATOM 0 H2 DA A 2 2.000 0.964 -2.049 1.00 8.00 H new ATOM 63 P DT A 3 8.709 -2.600 -0.557 1.00 8.00 P ATOM 64 OP1 DT A 3 9.017 -1.184 -0.265 1.00 8.00 O ATOM 65 OP2 DT A 3 9.367 -3.645 0.264 1.00 8.00 O ATOM 66 O5' DT A 3 7.135 -2.853 -0.400 1.00 8.00 O ATOM 67 C5' DT A 3 6.434 -2.402 0.741 1.00 8.00 C ATOM 68 C4' DT A 3 4.936 -2.751 0.698 1.00 8.00 C ATOM 69 O4' DT A 3 4.338 -2.166 -0.446 1.00 8.00 O ATOM 70 C3' DT A 3 4.588 -4.245 0.613 1.00 8.00 C ATOM 71 O3' DT A 3 4.220 -4.788 1.862 1.00 8.00 O ATOM 72 C2' DT A 3 3.349 -4.258 -0.283 1.00 8.00 C ATOM 73 C1' DT A 3 3.093 -2.793 -0.632 1.00 8.00 C ATOM 74 N1 DT A 3 2.683 -2.710 -2.047 1.00 8.00 N ATOM 75 C2 DT A 3 1.410 -2.272 -2.342 1.00 8.00 C ATOM 76 O2 DT A 3 0.640 -1.810 -1.515 1.00 8.00 O ATOM 77 N3 DT A 3 1.030 -2.371 -3.652 1.00 8.00 N ATOM 78 C4 DT A 3 1.723 -2.972 -4.667 1.00 8.00 C ATOM 79 O4 DT A 3 1.212 -3.023 -5.783 1.00 8.00 O ATOM 80 C5 DT A 3 3.024 -3.483 -4.272 1.00 8.00 C ATOM 81 C7 DT A 3 3.839 -4.402 -5.165 1.00 8.00 C ATOM 82 C6 DT A 3 3.452 -3.308 -3.002 1.00 8.00 C ATOM 0 H5' DT A 3 6.548 -1.322 0.828 1.00 8.00 H new ATOM 0 H5'' DT A 3 6.879 -2.843 1.633 1.00 8.00 H new ATOM 0 H4' DT A 3 4.565 -2.371 1.650 1.00 8.00 H new ATOM 0 H3' DT A 3 5.438 -4.827 0.256 1.00 8.00 H new ATOM 0 H2' DT A 3 3.518 -4.853 -1.180 1.00 8.00 H new ATOM 0 H2'' DT A 3 2.494 -4.695 0.233 1.00 8.00 H new ATOM 0 H1' DT A 3 2.311 -2.332 -0.028 1.00 8.00 H new ATOM 0 H3 DT A 3 0.134 -1.952 -3.899 1.00 8.00 H new ATOM 0 H71 DT A 3 4.901 -4.244 -4.977 1.00 8.00 H new ATOM 0 H72 DT A 3 3.583 -5.439 -4.950 1.00 8.00 H new ATOM 0 H73 DT A 3 3.619 -4.183 -6.210 1.00 8.00 H new ATOM 0 H6 DT A 3 4.439 -3.654 -2.733 1.00 8.00 H new ATOM 95 P DT A 4 5.233 -5.717 2.694 1.00 8.00 P ATOM 96 OP1 DT A 4 6.600 -5.553 2.144 1.00 8.00 O ATOM 97 OP2 DT A 4 4.648 -7.066 2.797 1.00 8.00 O ATOM 98 O5' DT A 4 5.226 -5.054 4.148 1.00 8.00 O ATOM 99 C5' DT A 4 6.009 -3.920 4.449 1.00 8.00 C ATOM 100 C4' DT A 4 5.563 -3.205 5.733 1.00 8.00 C ATOM 101 O4' DT A 4 4.255 -2.703 5.545 1.00 8.00 O ATOM 102 C3' DT A 4 5.489 -4.082 6.988 1.00 8.00 C ATOM 103 O3' DT A 4 5.649 -3.152 8.044 1.00 8.00 O ATOM 104 C2' DT A 4 4.065 -4.592 6.857 1.00 8.00 C ATOM 105 C1' DT A 4 3.388 -3.303 6.480 1.00 8.00 C ATOM 106 N1 DT A 4 2.102 -3.648 5.884 1.00 8.00 N ATOM 107 C2 DT A 4 1.014 -3.772 6.720 1.00 8.00 C ATOM 108 O2 DT A 4 1.095 -3.643 7.945 1.00 8.00 O ATOM 109 N3 DT A 4 -0.174 -4.090 6.118 1.00 8.00 N ATOM 110 C4 DT A 4 -0.349 -4.312 4.769 1.00 8.00 C ATOM 111 O4 DT A 4 -1.487 -4.513 4.361 1.00 8.00 O ATOM 112 C5 DT A 4 0.872 -4.285 3.972 1.00 8.00 C ATOM 113 C7 DT A 4 0.836 -4.515 2.470 1.00 8.00 C ATOM 114 C6 DT A 4 2.050 -3.971 4.562 1.00 8.00 C ATOM 0 H5' DT A 4 5.960 -3.220 3.615 1.00 8.00 H new ATOM 0 H5'' DT A 4 7.051 -4.222 4.551 1.00 8.00 H new ATOM 0 H4' DT A 4 6.325 -2.444 5.901 1.00 8.00 H new ATOM 0 H3' DT A 4 6.198 -4.897 7.133 1.00 8.00 H new ATOM 0 H2' DT A 4 3.962 -5.361 6.092 1.00 8.00 H new ATOM 0 H2'' DT A 4 3.681 -5.013 7.786 1.00 8.00 H new ATOM 0 H1' DT A 4 3.202 -2.626 7.313 1.00 8.00 H new ATOM 0 H3 DT A 4 -0.996 -4.169 6.716 1.00 8.00 H new ATOM 0 H71 DT A 4 1.650 -3.965 1.998 1.00 8.00 H new ATOM 0 H72 DT A 4 0.949 -5.579 2.262 1.00 8.00 H new ATOM 0 H73 DT A 4 -0.117 -4.166 2.071 1.00 8.00 H new ATOM 0 H6 DT A 4 2.958 -3.977 3.978 1.00 8.00 H new ATOM 127 P DC A 5 5.219 -3.386 9.556 1.00 8.00 P ATOM 128 OP1 DC A 5 4.597 -4.706 9.758 1.00 8.00 O ATOM 129 OP2 DC A 5 4.338 -2.232 9.854 1.00 8.00 O ATOM 130 O5' DC A 5 6.573 -3.246 10.362 1.00 8.00 O ATOM 131 C5' DC A 5 7.690 -4.047 10.038 1.00 8.00 C ATOM 132 C4' DC A 5 8.898 -3.155 9.708 1.00 8.00 C ATOM 133 O4' DC A 5 10.075 -3.800 10.180 1.00 8.00 O ATOM 134 C3' DC A 5 9.116 -2.885 8.217 1.00 8.00 C ATOM 135 O3' DC A 5 9.650 -1.602 8.014 1.00 8.00 O ATOM 136 C2' DC A 5 10.219 -3.845 7.834 1.00 8.00 C ATOM 137 C1' DC A 5 11.021 -3.891 9.131 1.00 8.00 C ATOM 138 N1 DC A 5 11.724 -5.186 9.233 1.00 8.00 N ATOM 139 C2 DC A 5 13.110 -5.209 9.269 1.00 8.00 C ATOM 140 O2 DC A 5 13.760 -4.172 9.224 1.00 8.00 O ATOM 141 N3 DC A 5 13.747 -6.403 9.346 1.00 8.00 N ATOM 142 C4 DC A 5 13.046 -7.517 9.383 1.00 8.00 C ATOM 143 N4 DC A 5 13.732 -8.636 9.443 1.00 8.00 N ATOM 144 C5 DC A 5 11.626 -7.542 9.336 1.00 8.00 C ATOM 145 C6 DC A 5 11.004 -6.346 9.264 1.00 8.00 C ATOM 0 H5' DC A 5 7.455 -4.685 9.186 1.00 8.00 H new ATOM 0 H5'' DC A 5 7.931 -4.705 10.873 1.00 8.00 H new ATOM 0 H4' DC A 5 8.692 -2.197 10.186 1.00 8.00 H new ATOM 0 H3' DC A 5 8.183 -2.983 7.662 1.00 8.00 H new ATOM 0 H2' DC A 5 9.834 -4.825 7.551 1.00 8.00 H new ATOM 0 H2'' DC A 5 10.811 -3.480 6.995 1.00 8.00 H new ATOM 0 H1' DC A 5 11.758 -3.089 9.172 1.00 8.00 H new ATOM 0 H41 DC A 5 13.245 -9.532 9.474 1.00 8.00 H new ATOM 0 H42 DC A 5 14.752 -8.609 9.459 1.00 8.00 H new ATOM 0 H5 DC A 5 11.073 -8.470 9.357 1.00 8.00 H new ATOM 0 H6 DC A 5 9.925 -6.306 9.231 1.00 8.00 H new ATOM 157 P DA A 6 8.706 -0.338 7.791 1.00 8.00 P ATOM 158 OP1 DA A 6 9.522 0.888 7.815 1.00 8.00 O ATOM 159 OP2 DA A 6 7.503 -0.448 8.656 1.00 8.00 O ATOM 160 O5' DA A 6 8.196 -0.554 6.293 1.00 8.00 O ATOM 161 C5' DA A 6 9.064 -0.923 5.249 1.00 8.00 C ATOM 162 C4' DA A 6 8.496 -0.484 3.896 1.00 8.00 C ATOM 163 O4' DA A 6 7.132 -0.860 3.818 1.00 8.00 O ATOM 164 C3' DA A 6 8.589 1.030 3.653 1.00 8.00 C ATOM 165 O3' DA A 6 8.946 1.237 2.301 1.00 8.00 O ATOM 166 C2' DA A 6 7.191 1.533 4.000 1.00 8.00 C ATOM 167 C1' DA A 6 6.321 0.298 3.807 1.00 8.00 C ATOM 168 N9 DA A 6 5.277 0.221 4.847 1.00 8.00 N ATOM 169 C8 DA A 6 5.354 0.387 6.208 1.00 8.00 C ATOM 170 N7 DA A 6 4.224 0.240 6.850 1.00 8.00 N ATOM 171 C5 DA A 6 3.335 -0.056 5.809 1.00 8.00 C ATOM 172 C6 DA A 6 1.973 -0.391 5.737 1.00 8.00 C ATOM 173 N6 DA A 6 1.166 -0.430 6.782 1.00 8.00 N ATOM 174 N1 DA A 6 1.423 -0.724 4.571 1.00 8.00 N ATOM 175 C2 DA A 6 2.182 -0.713 3.486 1.00 8.00 C ATOM 176 N3 DA A 6 3.456 -0.401 3.397 1.00 8.00 N ATOM 177 C4 DA A 6 3.978 -0.097 4.604 1.00 8.00 C ATOM 0 H5' DA A 6 9.210 -2.003 5.255 1.00 8.00 H new ATOM 0 H5'' DA A 6 10.042 -0.468 5.404 1.00 8.00 H new ATOM 0 H4' DA A 6 9.100 -0.977 3.134 1.00 8.00 H new ATOM 0 H3' DA A 6 9.338 1.557 4.244 1.00 8.00 H new ATOM 0 H2' DA A 6 7.139 1.906 5.023 1.00 8.00 H new ATOM 0 H2'' DA A 6 6.883 2.349 3.347 1.00 8.00 H new ATOM 0 H1' DA A 6 5.818 0.367 2.842 1.00 8.00 H new ATOM 0 H8 DA A 6 6.280 0.622 6.712 1.00 8.00 H new ATOM 0 H61 DA A 6 0.185 -0.682 6.660 1.00 8.00 H new ATOM 0 H62 DA A 6 1.524 -0.209 7.711 1.00 8.00 H new ATOM 0 H2 DA A 6 1.696 -0.994 2.563 1.00 8.00 H new ATOM 189 P DT A 7 8.977 2.696 1.657 1.00 8.00 P ATOM 190 OP1 DT A 7 9.803 2.577 0.426 1.00 8.00 O ATOM 191 OP2 DT A 7 9.330 3.705 2.662 1.00 8.00 O ATOM 192 O5' DT A 7 7.496 2.944 1.145 1.00 8.00 O ATOM 193 C5' DT A 7 6.925 2.114 0.149 1.00 8.00 C ATOM 194 C4' DT A 7 5.435 2.421 -0.016 1.00 8.00 C ATOM 195 O4' DT A 7 4.724 1.879 1.079 1.00 8.00 O ATOM 196 C3' DT A 7 5.096 3.919 -0.039 1.00 8.00 C ATOM 197 O3' DT A 7 4.803 4.359 -1.343 1.00 8.00 O ATOM 198 C2' DT A 7 3.853 4.006 0.840 1.00 8.00 C ATOM 199 C1' DT A 7 3.493 2.556 1.143 1.00 8.00 C ATOM 200 N1 DT A 7 2.967 2.501 2.514 1.00 8.00 N ATOM 201 C2 DT A 7 1.624 2.268 2.706 1.00 8.00 C ATOM 202 O2 DT A 7 0.847 1.978 1.811 1.00 8.00 O ATOM 203 N3 DT A 7 1.181 2.372 3.998 1.00 8.00 N ATOM 204 C4 DT A 7 1.897 2.797 5.082 1.00 8.00 C ATOM 205 O4 DT A 7 1.340 2.844 6.176 1.00 8.00 O ATOM 206 C5 DT A 7 3.279 3.126 4.785 1.00 8.00 C ATOM 207 C7 DT A 7 4.177 3.847 5.769 1.00 8.00 C ATOM 208 C6 DT A 7 3.754 2.938 3.536 1.00 8.00 C ATOM 0 H5' DT A 7 7.059 1.067 0.420 1.00 8.00 H new ATOM 0 H5'' DT A 7 7.441 2.266 -0.799 1.00 8.00 H new ATOM 0 H4' DT A 7 5.158 1.988 -0.977 1.00 8.00 H new ATOM 0 H3' DT A 7 5.921 4.542 0.306 1.00 8.00 H new ATOM 0 H2' DT A 7 4.053 4.564 1.755 1.00 8.00 H new ATOM 0 H2'' DT A 7 3.039 4.517 0.326 1.00 8.00 H new ATOM 0 H1' DT A 7 2.752 2.131 0.466 1.00 8.00 H new ATOM 0 H3 DT A 7 0.212 2.103 4.170 1.00 8.00 H new ATOM 0 H71 DT A 7 5.210 3.537 5.613 1.00 8.00 H new ATOM 0 H72 DT A 7 4.094 4.923 5.616 1.00 8.00 H new ATOM 0 H73 DT A 7 3.874 3.601 6.787 1.00 8.00 H new ATOM 0 H6 DT A 7 4.796 3.142 3.340 1.00 8.00 H new ATOM 221 P DT A 8 5.951 5.028 -2.243 1.00 8.00 P ATOM 222 OP1 DT A 8 7.280 4.625 -1.722 1.00 8.00 O ATOM 223 OP2 DT A 8 5.640 6.462 -2.392 1.00 8.00 O ATOM 224 O5' DT A 8 5.761 4.332 -3.665 1.00 8.00 O ATOM 225 C5' DT A 8 6.412 3.134 -4.032 1.00 8.00 C ATOM 226 C4' DT A 8 5.966 2.702 -5.436 1.00 8.00 C ATOM 227 O4' DT A 8 4.596 2.337 -5.399 1.00 8.00 O ATOM 228 C3' DT A 8 6.110 3.905 -6.386 1.00 8.00 C ATOM 229 O3' DT A 8 6.645 3.639 -7.673 1.00 8.00 O ATOM 230 C2' DT A 8 4.689 4.457 -6.383 1.00 8.00 C ATOM 231 C1' DT A 8 3.840 3.211 -6.209 1.00 8.00 C ATOM 232 N1 DT A 8 2.578 3.570 -5.548 1.00 8.00 N ATOM 233 C2 DT A 8 1.456 3.770 -6.327 1.00 8.00 C ATOM 234 O2 DT A 8 1.478 3.740 -7.558 1.00 8.00 O ATOM 235 N3 DT A 8 0.294 4.063 -5.662 1.00 8.00 N ATOM 236 C4 DT A 8 0.167 4.195 -4.298 1.00 8.00 C ATOM 237 O4 DT A 8 -0.947 4.420 -3.841 1.00 8.00 O ATOM 238 C5 DT A 8 1.406 4.054 -3.545 1.00 8.00 C ATOM 239 C7 DT A 8 1.423 4.196 -2.029 1.00 8.00 C ATOM 240 C6 DT A 8 2.558 3.758 -4.198 1.00 8.00 C ATOM 0 H5' DT A 8 6.181 2.350 -3.311 1.00 8.00 H new ATOM 0 H5'' DT A 8 7.492 3.277 -4.013 1.00 8.00 H new ATOM 0 H4' DT A 8 6.573 1.862 -5.774 1.00 8.00 H new ATOM 0 H3' DT A 8 6.867 4.613 -6.050 1.00 8.00 H new ATOM 0 H2' DT A 8 4.534 5.168 -5.571 1.00 8.00 H new ATOM 0 H2'' DT A 8 4.456 4.978 -7.312 1.00 8.00 H new ATOM 0 H1' DT A 8 3.593 2.744 -7.162 1.00 8.00 H new ATOM 0 H3 DT A 8 -0.547 4.194 -6.225 1.00 8.00 H new ATOM 0 H71 DT A 8 2.217 3.576 -1.614 1.00 8.00 H new ATOM 0 H72 DT A 8 1.600 5.238 -1.763 1.00 8.00 H new ATOM 0 H73 DT A 8 0.463 3.876 -1.623 1.00 8.00 H new ATOM 0 H6 DT A 8 3.477 3.670 -3.637 1.00 8.00 H new TER 253 DT A 8 ATOM 254 P DC B 1 -7.741 -5.966 -7.831 1.00 8.00 P ATOM 255 OP1 DC B 1 -8.652 -6.726 -6.951 1.00 8.00 O ATOM 256 OP2 DC B 1 -7.545 -6.630 -9.135 1.00 8.00 O ATOM 257 O5' DC B 1 -8.356 -4.514 -8.078 1.00 8.00 O ATOM 258 C5' DC B 1 -7.738 -3.580 -8.947 1.00 8.00 C ATOM 259 C4' DC B 1 -8.643 -2.353 -9.167 1.00 8.00 C ATOM 260 O4' DC B 1 -9.724 -2.686 -10.026 1.00 8.00 O ATOM 261 C3' DC B 1 -9.248 -1.870 -7.849 1.00 8.00 C ATOM 262 O3' DC B 1 -9.272 -0.453 -7.773 1.00 8.00 O ATOM 263 C2' DC B 1 -10.640 -2.457 -7.877 1.00 8.00 C ATOM 264 C1' DC B 1 -10.944 -2.397 -9.368 1.00 8.00 C ATOM 265 N1 DC B 1 -11.910 -3.451 -9.733 1.00 8.00 N ATOM 266 C2 DC B 1 -13.136 -3.092 -10.270 1.00 8.00 C ATOM 267 O2 DC B 1 -13.441 -1.914 -10.416 1.00 8.00 O ATOM 268 N3 DC B 1 -14.004 -4.064 -10.637 1.00 8.00 N ATOM 269 C4 DC B 1 -13.672 -5.328 -10.478 1.00 8.00 C ATOM 270 N4 DC B 1 -14.566 -6.210 -10.861 1.00 8.00 N ATOM 271 C5 DC B 1 -12.428 -5.744 -9.929 1.00 8.00 C ATOM 272 C6 DC B 1 -11.571 -4.764 -9.571 1.00 8.00 C ATOM 0 H5' DC B 1 -7.523 -4.055 -9.904 1.00 8.00 H new ATOM 0 H5'' DC B 1 -6.784 -3.263 -8.527 1.00 8.00 H new ATOM 0 H4' DC B 1 -8.021 -1.572 -9.604 1.00 8.00 H new ATOM 0 H3' DC B 1 -8.675 -2.180 -6.975 1.00 8.00 H new ATOM 0 H2' DC B 1 -10.667 -3.476 -7.490 1.00 8.00 H new ATOM 0 H2'' DC B 1 -11.347 -1.873 -7.287 1.00 8.00 H new ATOM 0 H1' DC B 1 -11.357 -1.425 -9.639 1.00 8.00 H new ATOM 0 H41 DC B 1 -14.372 -7.207 -10.766 1.00 8.00 H new ATOM 0 H42 DC B 1 -15.454 -5.898 -11.254 1.00 8.00 H new ATOM 0 H5 DC B 1 -12.182 -6.788 -9.805 1.00 8.00 H new ATOM 0 H6 DC B 1 -10.609 -5.021 -9.153 1.00 8.00 H new ATOM 284 P DA B 2 -9.536 0.269 -6.366 1.00 8.00 P ATOM 285 OP1 DA B 2 -10.934 0.085 -5.943 1.00 8.00 O ATOM 286 OP2 DA B 2 -8.981 1.647 -6.350 1.00 8.00 O ATOM 287 O5' DA B 2 -8.584 -0.609 -5.420 1.00 8.00 O ATOM 288 C5' DA B 2 -9.071 -1.381 -4.340 1.00 8.00 C ATOM 289 C4' DA B 2 -8.403 -0.864 -3.069 1.00 8.00 C ATOM 290 O4' DA B 2 -7.054 -1.260 -3.064 1.00 8.00 O ATOM 291 C3' DA B 2 -8.417 0.660 -3.009 1.00 8.00 C ATOM 292 O3' DA B 2 -8.612 1.076 -1.688 1.00 8.00 O ATOM 293 C2' DA B 2 -7.051 1.106 -3.524 1.00 8.00 C ATOM 294 C1' DA B 2 -6.222 -0.145 -3.286 1.00 8.00 C ATOM 295 N9 DA B 2 -5.305 -0.451 -4.394 1.00 8.00 N ATOM 296 C8 DA B 2 -5.426 -0.340 -5.760 1.00 8.00 C ATOM 297 N7 DA B 2 -4.385 -0.774 -6.422 1.00 8.00 N ATOM 298 C5 DA B 2 -3.520 -1.195 -5.409 1.00 8.00 C ATOM 299 C6 DA B 2 -2.225 -1.736 -5.358 1.00 8.00 C ATOM 300 N6 DA B 2 -1.495 -2.065 -6.411 1.00 8.00 N ATOM 301 N1 DA B 2 -1.639 -1.925 -4.178 1.00 8.00 N ATOM 302 C2 DA B 2 -2.304 -1.633 -3.072 1.00 8.00 C ATOM 303 N3 DA B 2 -3.526 -1.170 -2.970 1.00 8.00 N ATOM 304 C4 DA B 2 -4.078 -0.985 -4.184 1.00 8.00 C ATOM 0 H5' DA B 2 -8.844 -2.437 -4.490 1.00 8.00 H new ATOM 0 H5'' DA B 2 -10.155 -1.295 -4.266 1.00 8.00 H new ATOM 0 H4' DA B 2 -8.953 -1.271 -2.221 1.00 8.00 H new ATOM 0 H3' DA B 2 -9.221 1.091 -3.606 1.00 8.00 H new ATOM 0 H2' DA B 2 -7.080 1.386 -4.577 1.00 8.00 H new ATOM 0 H2'' DA B 2 -6.665 1.966 -2.976 1.00 8.00 H new ATOM 0 H1' DA B 2 -5.620 0.062 -2.402 1.00 8.00 H new ATOM 0 H8 DA B 2 -6.302 0.069 -6.242 1.00 8.00 H new ATOM 0 H61 DA B 2 -0.561 -2.453 -6.283 1.00 8.00 H new ATOM 0 H62 DA B 2 -1.867 -1.930 -7.351 1.00 8.00 H new ATOM 0 H2 DA B 2 -1.777 -1.795 -2.143 1.00 8.00 H new ATOM 316 P DT B 3 -8.818 2.620 -1.366 1.00 8.00 P ATOM 317 OP1 DT B 3 -9.703 2.549 -0.181 1.00 8.00 O ATOM 318 OP2 DT B 3 -9.268 3.262 -2.629 1.00 8.00 O ATOM 319 O5' DT B 3 -7.338 3.106 -0.986 1.00 8.00 O ATOM 320 C5' DT B 3 -6.729 2.705 0.227 1.00 8.00 C ATOM 321 C4' DT B 3 -5.197 2.841 0.217 1.00 8.00 C ATOM 322 O4' DT B 3 -4.614 1.918 -0.694 1.00 8.00 O ATOM 323 C3' DT B 3 -4.658 4.218 -0.194 1.00 8.00 C ATOM 324 O3' DT B 3 -4.242 4.997 0.903 1.00 8.00 O ATOM 325 C2' DT B 3 -3.427 3.869 -1.024 1.00 8.00 C ATOM 326 C1' DT B 3 -3.290 2.350 -0.928 1.00 8.00 C ATOM 327 N1 DT B 3 -2.788 1.858 -2.228 1.00 8.00 N ATOM 328 C2 DT B 3 -1.467 1.458 -2.343 1.00 8.00 C ATOM 329 O2 DT B 3 -0.722 1.300 -1.388 1.00 8.00 O ATOM 330 N3 DT B 3 -0.998 1.265 -3.622 1.00 8.00 N ATOM 331 C4 DT B 3 -1.677 1.548 -4.780 1.00 8.00 C ATOM 332 O4 DT B 3 -1.125 1.375 -5.860 1.00 8.00 O ATOM 333 C5 DT B 3 -3.020 2.057 -4.584 1.00 8.00 C ATOM 334 C7 DT B 3 -3.819 2.681 -5.713 1.00 8.00 C ATOM 335 C6 DT B 3 -3.516 2.162 -3.338 1.00 8.00 C ATOM 0 H5' DT B 3 -6.993 1.667 0.431 1.00 8.00 H new ATOM 0 H5'' DT B 3 -7.134 3.303 1.043 1.00 8.00 H new ATOM 0 H4' DT B 3 -4.926 2.657 1.257 1.00 8.00 H new ATOM 0 H3' DT B 3 -5.423 4.801 -0.706 1.00 8.00 H new ATOM 0 H2' DT B 3 -3.548 4.188 -2.059 1.00 8.00 H new ATOM 0 H2'' DT B 3 -2.538 4.369 -0.638 1.00 8.00 H new ATOM 0 H1' DT B 3 -2.607 1.997 -0.156 1.00 8.00 H new ATOM 0 H3 DT B 3 -0.060 0.876 -3.718 1.00 8.00 H new ATOM 0 H71 DT B 3 -4.882 2.509 -5.545 1.00 8.00 H new ATOM 0 H72 DT B 3 -3.626 3.753 -5.746 1.00 8.00 H new ATOM 0 H73 DT B 3 -3.524 2.230 -6.660 1.00 8.00 H new ATOM 0 H6 DT B 3 -4.534 2.501 -3.213 1.00 8.00 H new ATOM 348 P DT B 4 -5.213 6.104 1.526 1.00 8.00 P ATOM 349 OP1 DT B 4 -6.576 5.950 0.978 1.00 8.00 O ATOM 350 OP2 DT B 4 -4.649 7.444 1.275 1.00 8.00 O ATOM 351 O5' DT B 4 -5.275 5.858 3.095 1.00 8.00 O ATOM 352 C5' DT B 4 -6.166 4.916 3.651 1.00 8.00 C ATOM 353 C4' DT B 4 -5.848 4.639 5.122 1.00 8.00 C ATOM 354 O4' DT B 4 -4.566 4.044 5.236 1.00 8.00 O ATOM 355 C3' DT B 4 -5.852 5.968 5.878 1.00 8.00 C ATOM 356 O3' DT B 4 -6.537 5.949 7.117 1.00 8.00 O ATOM 357 C2' DT B 4 -4.364 6.264 5.939 1.00 8.00 C ATOM 358 C1' DT B 4 -3.726 4.889 5.988 1.00 8.00 C ATOM 359 N1 DT B 4 -2.396 4.989 5.375 1.00 8.00 N ATOM 360 C2 DT B 4 -1.323 5.283 6.190 1.00 8.00 C ATOM 361 O2 DT B 4 -1.436 5.444 7.407 1.00 8.00 O ATOM 362 N3 DT B 4 -0.111 5.434 5.567 1.00 8.00 N ATOM 363 C4 DT B 4 0.110 5.350 4.209 1.00 8.00 C ATOM 364 O4 DT B 4 1.256 5.488 3.799 1.00 8.00 O ATOM 365 C5 DT B 4 -1.081 5.110 3.403 1.00 8.00 C ATOM 366 C7 DT B 4 -1.003 5.000 1.882 1.00 8.00 C ATOM 367 C6 DT B 4 -2.277 4.951 4.016 1.00 8.00 C ATOM 0 H5' DT B 4 -6.112 3.986 3.085 1.00 8.00 H new ATOM 0 H5'' DT B 4 -7.188 5.285 3.562 1.00 8.00 H new ATOM 0 H4' DT B 4 -6.594 3.961 5.537 1.00 8.00 H new ATOM 0 H3' DT B 4 -6.425 6.759 5.394 1.00 8.00 H new ATOM 0 H2' DT B 4 -4.032 6.829 5.068 1.00 8.00 H new ATOM 0 H2'' DT B 4 -4.109 6.855 6.818 1.00 8.00 H new ATOM 0 H1' DT B 4 -3.612 4.503 7.001 1.00 8.00 H new ATOM 0 H3 DT B 4 0.697 5.625 6.160 1.00 8.00 H new ATOM 0 H71 DT B 4 -1.789 4.335 1.525 1.00 8.00 H new ATOM 0 H72 DT B 4 -1.134 5.987 1.439 1.00 8.00 H new ATOM 0 H73 DT B 4 -0.031 4.600 1.596 1.00 8.00 H new ATOM 0 H6 DT B 4 -3.159 4.790 3.415 1.00 8.00 H new ATOM 380 P DC B 5 -6.141 5.031 8.361 1.00 8.00 P ATOM 381 OP1 DC B 5 -5.012 5.674 9.079 1.00 8.00 O ATOM 382 OP2 DC B 5 -5.972 3.630 7.917 1.00 8.00 O ATOM 383 O5' DC B 5 -7.471 5.077 9.259 1.00 8.00 O ATOM 384 C5' DC B 5 -7.950 3.918 9.919 1.00 8.00 C ATOM 385 C4' DC B 5 -9.197 3.248 9.298 1.00 8.00 C ATOM 386 O4' DC B 5 -10.355 3.785 9.915 1.00 8.00 O ATOM 387 C3' DC B 5 -9.437 3.291 7.782 1.00 8.00 C ATOM 388 O3' DC B 5 -9.995 2.075 7.308 1.00 8.00 O ATOM 389 C2' DC B 5 -10.501 4.356 7.625 1.00 8.00 C ATOM 390 C1' DC B 5 -11.273 4.220 8.931 1.00 8.00 C ATOM 391 N1 DC B 5 -11.784 5.541 9.346 1.00 8.00 N ATOM 392 C2 DC B 5 -13.154 5.749 9.401 1.00 8.00 C ATOM 393 O2 DC B 5 -13.939 4.863 9.084 1.00 8.00 O ATOM 394 N3 DC B 5 -13.622 6.953 9.807 1.00 8.00 N ATOM 395 C4 DC B 5 -12.772 7.905 10.135 1.00 8.00 C ATOM 396 N4 DC B 5 -13.303 9.043 10.518 1.00 8.00 N ATOM 397 C5 DC B 5 -11.361 7.743 10.075 1.00 8.00 C ATOM 398 C6 DC B 5 -10.908 6.535 9.676 1.00 8.00 C ATOM 0 H5' DC B 5 -8.180 4.182 10.951 1.00 8.00 H new ATOM 0 H5'' DC B 5 -7.145 3.183 9.950 1.00 8.00 H new ATOM 0 H4' DC B 5 -8.988 2.195 9.486 1.00 8.00 H new ATOM 0 H3' DC B 5 -8.509 3.470 7.239 1.00 8.00 H new ATOM 0 H2' DC B 5 -10.070 5.350 7.506 1.00 8.00 H new ATOM 0 H2'' DC B 5 -11.134 4.177 6.756 1.00 8.00 H new ATOM 0 H1' DC B 5 -12.104 3.525 8.808 1.00 8.00 H new ATOM 0 H41 DC B 5 -12.701 9.822 10.786 1.00 8.00 H new ATOM 0 H42 DC B 5 -14.317 9.148 10.548 1.00 8.00 H new ATOM 0 H5 DC B 5 -10.686 8.545 10.335 1.00 8.00 H new ATOM 0 H6 DC B 5 -9.845 6.354 9.617 1.00 8.00 H new ATOM 410 P DA B 6 -9.038 0.873 6.874 1.00 8.00 P ATOM 411 OP1 DA B 6 -9.795 -0.283 6.313 1.00 8.00 O ATOM 412 OP2 DA B 6 -8.017 0.659 7.931 1.00 8.00 O ATOM 413 O5' DA B 6 -8.271 1.550 5.659 1.00 8.00 O ATOM 414 C5' DA B 6 -8.960 2.112 4.563 1.00 8.00 C ATOM 415 C4' DA B 6 -8.366 1.570 3.259 1.00 8.00 C ATOM 416 O4' DA B 6 -6.975 1.796 3.235 1.00 8.00 O ATOM 417 C3' DA B 6 -8.560 0.064 3.171 1.00 8.00 C ATOM 418 O3' DA B 6 -8.841 -0.343 1.861 1.00 8.00 O ATOM 419 C2' DA B 6 -7.255 -0.538 3.687 1.00 8.00 C ATOM 420 C1' DA B 6 -6.270 0.588 3.420 1.00 8.00 C ATOM 421 N9 DA B 6 -5.300 0.760 4.510 1.00 8.00 N ATOM 422 C8 DA B 6 -5.429 0.610 5.863 1.00 8.00 C ATOM 423 N7 DA B 6 -4.387 0.953 6.571 1.00 8.00 N ATOM 424 C5 DA B 6 -3.472 1.313 5.573 1.00 8.00 C ATOM 425 C6 DA B 6 -2.133 1.735 5.555 1.00 8.00 C ATOM 426 N6 DA B 6 -1.392 1.956 6.630 1.00 8.00 N ATOM 427 N1 DA B 6 -1.508 1.883 4.391 1.00 8.00 N ATOM 428 C2 DA B 6 -2.173 1.662 3.268 1.00 8.00 C ATOM 429 N3 DA B 6 -3.430 1.315 3.133 1.00 8.00 N ATOM 430 C4 DA B 6 -4.022 1.172 4.331 1.00 8.00 C ATOM 0 H5' DA B 6 -8.881 3.199 4.588 1.00 8.00 H new ATOM 0 H5'' DA B 6 -10.021 1.868 4.622 1.00 8.00 H new ATOM 0 H4' DA B 6 -8.867 2.076 2.434 1.00 8.00 H new ATOM 0 H3' DA B 6 -9.414 -0.270 3.761 1.00 8.00 H new ATOM 0 H2' DA B 6 -7.311 -0.790 4.746 1.00 8.00 H new ATOM 0 H2'' DA B 6 -6.987 -1.451 3.155 1.00 8.00 H new ATOM 0 H1' DA B 6 -5.713 0.323 2.522 1.00 8.00 H new ATOM 0 H8 DA B 6 -6.334 0.232 6.316 1.00 8.00 H new ATOM 0 H61 DA B 6 -0.424 2.262 6.528 1.00 8.00 H new ATOM 0 H62 DA B 6 -1.789 1.820 7.560 1.00 8.00 H new ATOM 0 H2 DA B 6 -1.612 1.782 2.353 1.00 8.00 H new ATOM 442 P DT B 7 -9.119 -1.876 1.590 1.00 8.00 P ATOM 443 OP1 DT B 7 -9.913 -1.917 0.337 1.00 8.00 O ATOM 444 OP2 DT B 7 -9.654 -2.459 2.848 1.00 8.00 O ATOM 445 O5' DT B 7 -7.686 -2.480 1.241 1.00 8.00 O ATOM 446 C5' DT B 7 -6.952 -1.990 0.126 1.00 8.00 C ATOM 447 C4' DT B 7 -5.474 -2.396 0.124 1.00 8.00 C ATOM 448 O4' DT B 7 -4.755 -1.593 1.043 1.00 8.00 O ATOM 449 C3' DT B 7 -5.199 -3.849 0.528 1.00 8.00 C ATOM 450 O3' DT B 7 -4.965 -4.668 -0.597 1.00 8.00 O ATOM 451 C2' DT B 7 -3.927 -3.723 1.364 1.00 8.00 C ATOM 452 C1' DT B 7 -3.531 -2.246 1.296 1.00 8.00 C ATOM 453 N1 DT B 7 -3.018 -1.829 2.615 1.00 8.00 N ATOM 454 C2 DT B 7 -1.674 -1.544 2.776 1.00 8.00 C ATOM 455 O2 DT B 7 -0.882 -1.450 1.851 1.00 8.00 O ATOM 456 N3 DT B 7 -1.247 -1.374 4.072 1.00 8.00 N ATOM 457 C4 DT B 7 -1.990 -1.572 5.206 1.00 8.00 C ATOM 458 O4 DT B 7 -1.469 -1.401 6.303 1.00 8.00 O ATOM 459 C5 DT B 7 -3.367 -1.957 4.962 1.00 8.00 C ATOM 460 C7 DT B 7 -4.265 -2.500 6.059 1.00 8.00 C ATOM 461 C6 DT B 7 -3.819 -2.030 3.696 1.00 8.00 C ATOM 0 H5' DT B 7 -7.019 -0.902 0.110 1.00 8.00 H new ATOM 0 H5'' DT B 7 -7.419 -2.352 -0.790 1.00 8.00 H new ATOM 0 H4' DT B 7 -5.160 -2.265 -0.911 1.00 8.00 H new ATOM 0 H3' DT B 7 -6.036 -4.309 1.053 1.00 8.00 H new ATOM 0 H2' DT B 7 -4.103 -4.034 2.394 1.00 8.00 H new ATOM 0 H2'' DT B 7 -3.135 -4.359 0.970 1.00 8.00 H new ATOM 0 H1' DT B 7 -2.766 -2.031 0.550 1.00 8.00 H new ATOM 0 H3 DT B 7 -0.282 -1.071 4.202 1.00 8.00 H new ATOM 0 H71 DT B 7 -5.300 -2.231 5.849 1.00 8.00 H new ATOM 0 H72 DT B 7 -4.174 -3.585 6.100 1.00 8.00 H new ATOM 0 H73 DT B 7 -3.967 -2.074 7.017 1.00 8.00 H new ATOM 0 H6 DT B 7 -4.862 -2.258 3.532 1.00 8.00 H new ATOM 474 P DT B 8 -6.147 -5.587 -1.185 1.00 8.00 P ATOM 475 OP1 DT B 8 -7.449 -4.931 -0.884 1.00 8.00 O ATOM 476 OP2 DT B 8 -5.920 -6.974 -0.743 1.00 8.00 O ATOM 477 O5' DT B 8 -5.941 -5.516 -2.773 1.00 8.00 O ATOM 478 C5' DT B 8 -6.706 -4.624 -3.555 1.00 8.00 C ATOM 479 C4' DT B 8 -6.263 -4.518 -5.025 1.00 8.00 C ATOM 480 O4' DT B 8 -4.970 -3.927 -5.099 1.00 8.00 O ATOM 481 C3' DT B 8 -6.183 -5.891 -5.705 1.00 8.00 C ATOM 482 O3' DT B 8 -6.323 -5.830 -7.111 1.00 8.00 O ATOM 483 C2' DT B 8 -4.728 -6.223 -5.459 1.00 8.00 C ATOM 484 C1' DT B 8 -4.077 -4.867 -5.668 1.00 8.00 C ATOM 485 N1 DT B 8 -2.790 -4.897 -4.955 1.00 8.00 N ATOM 486 C2 DT B 8 -1.643 -5.167 -5.680 1.00 8.00 C ATOM 487 O2 DT B 8 -1.617 -5.284 -6.898 1.00 8.00 O ATOM 488 N3 DT B 8 -0.489 -5.322 -4.963 1.00 8.00 N ATOM 489 C4 DT B 8 -0.376 -5.223 -3.598 1.00 8.00 C ATOM 490 O4 DT B 8 0.730 -5.382 -3.095 1.00 8.00 O ATOM 491 C5 DT B 8 -1.617 -4.939 -2.894 1.00 8.00 C ATOM 492 C7 DT B 8 -1.604 -4.728 -1.386 1.00 8.00 C ATOM 493 C6 DT B 8 -2.774 -4.802 -3.592 1.00 8.00 C ATOM 0 H5' DT B 8 -6.659 -3.633 -3.103 1.00 8.00 H new ATOM 0 H5'' DT B 8 -7.749 -4.939 -3.526 1.00 8.00 H new ATOM 0 H4' DT B 8 -7.009 -3.909 -5.535 1.00 8.00 H new ATOM 0 H3' DT B 8 -6.951 -6.572 -5.337 1.00 8.00 H new ATOM 0 H2' DT B 8 -4.558 -6.610 -4.454 1.00 8.00 H new ATOM 0 H2'' DT B 8 -4.353 -6.972 -6.157 1.00 8.00 H new ATOM 0 H1' DT B 8 -3.889 -4.613 -6.711 1.00 8.00 H new ATOM 0 H3 DT B 8 0.361 -5.529 -5.487 1.00 8.00 H new ATOM 0 H71 DT B 8 -2.406 -4.045 -1.107 1.00 8.00 H new ATOM 0 H72 DT B 8 -1.751 -5.684 -0.884 1.00 8.00 H new ATOM 0 H73 DT B 8 -0.646 -4.304 -1.086 1.00 8.00 H new ATOM 0 H6 DT B 8 -3.696 -4.615 -3.061 1.00 8.00 H new TER 506 DT B 8