USER MOD reduce.3.24.130724 H: found=0, std=0, add=160, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 158 hydrogens (22 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 DC O5' : rot 12:sc= 2.05 USER MOD Single : A 4 DT C7 :methyl -30:sc=-0.000368 (180deg=-0.218) USER MOD Single : A 6 DG O3' : rot 180:sc= 0 USER MOD Single : A 7 PPZ O8 : rot -130:sc= 0.58 USER MOD Single : B 1 DC O5' : rot 180:sc= -0.199 USER MOD Single : B 4 DT C7 :methyl -30:sc= -0.132 (180deg=-0.855) USER MOD Single : B 6 DG O3' : rot 180:sc= 0 USER MOD Single : B 7 PPZ O8 : rot 92:sc= 0.581 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -6.460 -4.724 -8.263 1.00 0.00 O ATOM 2 C5' DC A 1 -7.548 -4.298 -9.051 1.00 0.00 C ATOM 3 C4' DC A 1 -8.494 -3.432 -8.220 1.00 0.00 C ATOM 4 O4' DC A 1 -9.032 -4.166 -7.134 1.00 0.00 O ATOM 5 C3' DC A 1 -7.791 -2.190 -7.695 1.00 0.00 C ATOM 6 O3' DC A 1 -8.261 -1.055 -8.390 1.00 0.00 O ATOM 7 C2' DC A 1 -8.206 -2.179 -6.233 1.00 0.00 C ATOM 8 C1' DC A 1 -8.527 -3.641 -5.924 1.00 0.00 C ATOM 9 N1 DC A 1 -7.290 -4.329 -5.499 1.00 0.00 N ATOM 10 C2 DC A 1 -7.354 -5.618 -4.981 1.00 0.00 C ATOM 11 O2 DC A 1 -8.415 -6.236 -4.925 1.00 0.00 O ATOM 12 N3 DC A 1 -6.219 -6.179 -4.464 1.00 0.00 N ATOM 13 C4 DC A 1 -5.061 -5.506 -4.491 1.00 0.00 C ATOM 14 N4 DC A 1 -4.023 -5.999 -3.823 1.00 0.00 N ATOM 15 C5 DC A 1 -4.988 -4.180 -5.008 1.00 0.00 C ATOM 16 C6 DC A 1 -6.116 -3.642 -5.495 1.00 0.00 C ATOM 0 H5' DC A 1 -8.084 -5.163 -9.442 1.00 0.00 H new ATOM 0 H5'' DC A 1 -7.185 -3.733 -9.910 1.00 0.00 H new ATOM 0 H4' DC A 1 -9.306 -3.122 -8.877 1.00 0.00 H new ATOM 0 H3' DC A 1 -6.708 -2.185 -7.821 1.00 0.00 H new ATOM 0 H2' DC A 1 -7.406 -1.803 -5.595 1.00 0.00 H new ATOM 0 H2'' DC A 1 -9.072 -1.538 -6.070 1.00 0.00 H new ATOM 0 HO5' DC A 1 -6.648 -4.540 -7.319 1.00 0.00 H new ATOM 0 H1' DC A 1 -9.249 -3.766 -5.117 1.00 0.00 H new ATOM 0 H41 DC A 1 -3.131 -5.504 -3.829 1.00 0.00 H new ATOM 0 H42 DC A 1 -4.118 -6.872 -3.304 1.00 0.00 H new ATOM 0 H5 DC A 1 -4.059 -3.629 -5.008 1.00 0.00 H new ATOM 0 H6 DC A 1 -6.092 -2.639 -5.894 1.00 0.00 H new ATOM 29 P DG A 2 -7.507 0.366 -8.304 1.00 0.00 P ATOM 30 OP1 DG A 2 -8.110 1.272 -9.305 1.00 0.00 O ATOM 31 OP2 DG A 2 -6.049 0.115 -8.316 1.00 0.00 O ATOM 32 O5' DG A 2 -7.908 0.901 -6.843 1.00 0.00 O ATOM 33 C5' DG A 2 -9.260 1.152 -6.526 1.00 0.00 C ATOM 34 C4' DG A 2 -9.436 1.495 -5.043 1.00 0.00 C ATOM 35 O4' DG A 2 -8.796 0.504 -4.254 1.00 0.00 O ATOM 36 C3' DG A 2 -8.801 2.836 -4.686 1.00 0.00 C ATOM 37 O3' DG A 2 -9.459 3.379 -3.560 1.00 0.00 O ATOM 38 C2' DG A 2 -7.388 2.408 -4.348 1.00 0.00 C ATOM 39 C1' DG A 2 -7.622 1.059 -3.682 1.00 0.00 C ATOM 40 N9 DG A 2 -6.462 0.183 -3.917 1.00 0.00 N ATOM 41 C8 DG A 2 -5.832 -0.104 -5.098 1.00 0.00 C ATOM 42 N7 DG A 2 -4.836 -0.937 -4.987 1.00 0.00 N ATOM 43 C5 DG A 2 -4.780 -1.197 -3.621 1.00 0.00 C ATOM 44 C6 DG A 2 -3.890 -2.021 -2.872 1.00 0.00 C ATOM 45 O6 DG A 2 -2.970 -2.725 -3.288 1.00 0.00 O ATOM 46 N1 DG A 2 -4.153 -1.983 -1.514 1.00 0.00 N ATOM 47 C2 DG A 2 -5.182 -1.278 -0.933 1.00 0.00 C ATOM 48 N2 DG A 2 -5.313 -1.306 0.388 1.00 0.00 N ATOM 49 N3 DG A 2 -6.026 -0.512 -1.627 1.00 0.00 N ATOM 50 C4 DG A 2 -5.773 -0.514 -2.960 1.00 0.00 C ATOM 0 H5' DG A 2 -9.861 0.276 -6.772 1.00 0.00 H new ATOM 0 H5'' DG A 2 -9.631 1.975 -7.137 1.00 0.00 H new ATOM 0 H4' DG A 2 -10.508 1.542 -4.849 1.00 0.00 H new ATOM 0 H3' DG A 2 -8.851 3.601 -5.461 1.00 0.00 H new ATOM 0 H2' DG A 2 -6.763 2.322 -5.237 1.00 0.00 H new ATOM 0 H2'' DG A 2 -6.896 3.114 -3.679 1.00 0.00 H new ATOM 0 H1' DG A 2 -7.745 1.167 -2.604 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.135 0.324 -6.042 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.539 -2.517 -0.899 1.00 0.00 H new ATOM 0 H21 DG A 2 -6.070 -0.790 0.837 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.657 -1.844 0.954 1.00 0.00 H new ATOM 62 P DA A 3 -8.984 4.770 -2.899 1.00 0.00 P ATOM 63 OP1 DA A 3 -10.181 5.473 -2.388 1.00 0.00 O ATOM 64 OP2 DA A 3 -8.074 5.451 -3.847 1.00 0.00 O ATOM 65 O5' DA A 3 -8.116 4.279 -1.635 1.00 0.00 O ATOM 66 C5' DA A 3 -8.772 3.749 -0.500 1.00 0.00 C ATOM 67 C4' DA A 3 -7.795 3.479 0.647 1.00 0.00 C ATOM 68 O4' DA A 3 -6.869 2.480 0.254 1.00 0.00 O ATOM 69 C3' DA A 3 -7.013 4.733 1.018 1.00 0.00 C ATOM 70 O3' DA A 3 -6.692 4.701 2.391 1.00 0.00 O ATOM 71 C2' DA A 3 -5.761 4.531 0.196 1.00 0.00 C ATOM 72 C1' DA A 3 -5.569 3.027 0.325 1.00 0.00 C ATOM 73 N9 DA A 3 -4.749 2.533 -0.790 1.00 0.00 N ATOM 74 C8 DA A 3 -4.827 2.880 -2.114 1.00 0.00 C ATOM 75 N7 DA A 3 -3.941 2.297 -2.872 1.00 0.00 N ATOM 76 C5 DA A 3 -3.238 1.498 -1.977 1.00 0.00 C ATOM 77 C6 DA A 3 -2.161 0.613 -2.132 1.00 0.00 C ATOM 78 N6 DA A 3 -1.607 0.410 -3.323 1.00 0.00 N ATOM 79 N1 DA A 3 -1.722 -0.083 -1.070 1.00 0.00 N ATOM 80 C2 DA A 3 -2.306 0.118 0.111 1.00 0.00 C ATOM 81 N3 DA A 3 -3.300 0.956 0.397 1.00 0.00 N ATOM 82 C4 DA A 3 -3.736 1.613 -0.708 1.00 0.00 C ATOM 0 H5' DA A 3 -9.278 2.823 -0.772 1.00 0.00 H new ATOM 0 H5'' DA A 3 -9.541 4.446 -0.166 1.00 0.00 H new ATOM 0 H4' DA A 3 -8.377 3.154 1.510 1.00 0.00 H new ATOM 0 H3' DA A 3 -7.534 5.673 0.839 1.00 0.00 H new ATOM 0 H2' DA A 3 -5.893 4.843 -0.840 1.00 0.00 H new ATOM 0 H2'' DA A 3 -4.913 5.090 0.591 1.00 0.00 H new ATOM 0 H1' DA A 3 -5.063 2.753 1.251 1.00 0.00 H new ATOM 0 H8 DA A 3 -5.559 3.576 -2.496 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.824 -0.237 -3.418 1.00 0.00 H new ATOM 0 H62 DA A 3 -1.965 0.901 -4.142 1.00 0.00 H new ATOM 0 H2 DA A 3 -1.928 -0.469 0.935 1.00 0.00 H new ATOM 94 P DT A 4 -5.838 5.885 3.074 1.00 0.00 P ATOM 95 OP1 DT A 4 -6.669 7.108 3.059 1.00 0.00 O ATOM 96 OP2 DT A 4 -4.489 5.912 2.464 1.00 0.00 O ATOM 97 O5' DT A 4 -5.710 5.387 4.600 1.00 0.00 O ATOM 98 C5' DT A 4 -5.548 4.020 4.930 1.00 0.00 C ATOM 99 C4' DT A 4 -4.137 3.480 4.680 1.00 0.00 C ATOM 100 O4' DT A 4 -3.855 3.258 3.311 1.00 0.00 O ATOM 101 C3' DT A 4 -3.044 4.399 5.227 1.00 0.00 C ATOM 102 O3' DT A 4 -2.354 3.715 6.248 1.00 0.00 O ATOM 103 C2' DT A 4 -2.141 4.586 4.013 1.00 0.00 C ATOM 104 C1' DT A 4 -2.450 3.336 3.220 1.00 0.00 C ATOM 105 N1 DT A 4 -1.963 3.468 1.838 1.00 0.00 N ATOM 106 C2 DT A 4 -1.001 2.562 1.419 1.00 0.00 C ATOM 107 O2 DT A 4 -0.542 1.698 2.161 1.00 0.00 O ATOM 108 N3 DT A 4 -0.568 2.692 0.113 1.00 0.00 N ATOM 109 C4 DT A 4 -0.988 3.654 -0.782 1.00 0.00 C ATOM 110 O4 DT A 4 -0.543 3.667 -1.925 1.00 0.00 O ATOM 111 C5 DT A 4 -1.967 4.585 -0.252 1.00 0.00 C ATOM 112 C7 DT A 4 -2.491 5.697 -1.130 1.00 0.00 C ATOM 113 C6 DT A 4 -2.416 4.466 1.019 1.00 0.00 C ATOM 0 H5' DT A 4 -6.259 3.431 4.351 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.799 3.879 5.981 1.00 0.00 H new ATOM 0 H4' DT A 4 -4.128 2.529 5.213 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.402 5.339 5.646 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.379 5.494 3.459 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.088 4.648 4.289 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.966 2.432 3.588 1.00 0.00 H new ATOM 0 H3 DT A 4 0.122 2.018 -0.218 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.723 5.987 -1.847 1.00 0.00 H new ATOM 0 H72 DT A 4 -3.376 5.352 -1.665 1.00 0.00 H new ATOM 0 H73 DT A 4 -2.753 6.556 -0.512 1.00 0.00 H new ATOM 0 H6 DT A 4 -3.144 5.171 1.393 1.00 0.00 H new ATOM 126 P DC A 5 -1.260 4.460 7.165 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.935 4.991 8.369 1.00 0.00 O ATOM 128 OP2 DC A 5 -0.453 5.355 6.306 1.00 0.00 O ATOM 129 O5' DC A 5 -0.321 3.232 7.593 1.00 0.00 O ATOM 130 C5' DC A 5 0.208 2.393 6.594 1.00 0.00 C ATOM 131 C4' DC A 5 1.475 1.690 7.068 1.00 0.00 C ATOM 132 O4' DC A 5 2.152 1.167 5.940 1.00 0.00 O ATOM 133 C3' DC A 5 2.446 2.693 7.680 1.00 0.00 C ATOM 134 O3' DC A 5 3.326 2.021 8.557 1.00 0.00 O ATOM 135 C2' DC A 5 3.177 3.226 6.455 1.00 0.00 C ATOM 136 C1' DC A 5 2.902 2.211 5.345 1.00 0.00 C ATOM 137 N1 DC A 5 2.177 2.852 4.218 1.00 0.00 N ATOM 138 C2 DC A 5 2.419 2.352 2.946 1.00 0.00 C ATOM 139 O2 DC A 5 2.988 1.276 2.786 1.00 0.00 O ATOM 140 N3 DC A 5 2.125 3.130 1.866 1.00 0.00 N ATOM 141 C4 DC A 5 1.527 4.312 2.023 1.00 0.00 C ATOM 142 N4 DC A 5 1.292 5.040 0.937 1.00 0.00 N ATOM 143 C5 DC A 5 1.147 4.794 3.312 1.00 0.00 C ATOM 144 C6 DC A 5 1.511 4.039 4.374 1.00 0.00 C ATOM 0 H5' DC A 5 0.428 2.981 5.703 1.00 0.00 H new ATOM 0 H5'' DC A 5 -0.537 1.650 6.309 1.00 0.00 H new ATOM 0 H4' DC A 5 1.185 0.925 7.788 1.00 0.00 H new ATOM 0 H3' DC A 5 1.977 3.482 8.269 1.00 0.00 H new ATOM 0 H2' DC A 5 2.814 4.216 6.181 1.00 0.00 H new ATOM 0 H2'' DC A 5 4.246 3.320 6.645 1.00 0.00 H new ATOM 0 H1' DC A 5 3.824 1.817 4.919 1.00 0.00 H new ATOM 0 H41 DC A 5 0.836 5.949 1.021 1.00 0.00 H new ATOM 0 H42 DC A 5 1.567 4.690 0.019 1.00 0.00 H new ATOM 0 H5 DC A 5 0.597 5.715 3.433 1.00 0.00 H new ATOM 0 H6 DC A 5 1.270 4.381 5.370 1.00 0.00 H new ATOM 156 P DG A 6 4.447 2.816 9.398 1.00 0.00 P ATOM 157 OP1 DG A 6 4.733 2.055 10.634 1.00 0.00 O ATOM 158 OP2 DG A 6 4.056 4.241 9.477 1.00 0.00 O ATOM 159 O5' DG A 6 5.723 2.698 8.432 1.00 0.00 O ATOM 160 C5' DG A 6 6.251 1.422 8.132 1.00 0.00 C ATOM 161 C4' DG A 6 7.382 1.517 7.109 1.00 0.00 C ATOM 162 O4' DG A 6 6.938 2.311 6.026 1.00 0.00 O ATOM 163 C3' DG A 6 8.617 2.183 7.704 1.00 0.00 C ATOM 164 O3' DG A 6 9.787 1.646 7.128 1.00 0.00 O ATOM 165 C2' DG A 6 8.471 3.620 7.263 1.00 0.00 C ATOM 166 C1' DG A 6 7.746 3.472 5.941 1.00 0.00 C ATOM 167 N9 DG A 6 6.882 4.641 5.740 1.00 0.00 N ATOM 168 C8 DG A 6 5.658 4.850 6.296 1.00 0.00 C ATOM 169 N7 DG A 6 4.963 5.804 5.744 1.00 0.00 N ATOM 170 C5 DG A 6 5.833 6.306 4.778 1.00 0.00 C ATOM 171 C6 DG A 6 5.618 7.278 3.759 1.00 0.00 C ATOM 172 O6 DG A 6 4.578 7.872 3.477 1.00 0.00 O ATOM 173 N1 DG A 6 6.745 7.490 2.984 1.00 0.00 N ATOM 174 C2 DG A 6 7.948 6.856 3.170 1.00 0.00 C ATOM 175 N2 DG A 6 8.975 7.250 2.425 1.00 0.00 N ATOM 176 N3 DG A 6 8.137 5.876 4.057 1.00 0.00 N ATOM 177 C4 DG A 6 7.036 5.641 4.817 1.00 0.00 C ATOM 0 H5' DG A 6 5.460 0.780 7.744 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.621 0.955 9.045 1.00 0.00 H new ATOM 0 H4' DG A 6 7.645 0.508 6.792 1.00 0.00 H new ATOM 0 H3' DG A 6 8.694 2.051 8.783 1.00 0.00 H new ATOM 0 H2' DG A 6 7.898 4.210 7.978 1.00 0.00 H new ATOM 0 H2'' DG A 6 9.437 4.111 7.146 1.00 0.00 H new ATOM 0 HO3' DG A 6 10.573 2.083 7.517 1.00 0.00 H new ATOM 0 H1' DG A 6 8.453 3.394 5.115 1.00 0.00 H new ATOM 0 H8 DG A 6 5.291 4.270 7.130 1.00 0.00 H new ATOM 0 H1 DG A 6 6.677 8.164 2.222 1.00 0.00 H new ATOM 0 H21 DG A 6 9.885 6.803 2.534 1.00 0.00 H new ATOM 0 H22 DG A 6 8.853 7.999 1.744 1.00 0.00 H new TER 189 DG A 6 ATOM 190 O5' DC B 1 8.369 5.467 -6.686 1.00 0.00 O ATOM 191 C5' DC B 1 7.846 6.495 -5.863 1.00 0.00 C ATOM 192 C4' DC B 1 8.679 6.683 -4.594 1.00 0.00 C ATOM 193 O4' DC B 1 7.911 7.371 -3.624 1.00 0.00 O ATOM 194 C3' DC B 1 9.053 5.322 -4.016 1.00 0.00 C ATOM 195 O3' DC B 1 10.398 5.387 -3.593 1.00 0.00 O ATOM 196 C2' DC B 1 8.068 5.193 -2.870 1.00 0.00 C ATOM 197 C1' DC B 1 7.987 6.644 -2.415 1.00 0.00 C ATOM 198 N1 DC B 1 6.779 6.882 -1.605 1.00 0.00 N ATOM 199 C2 DC B 1 6.915 7.576 -0.412 1.00 0.00 C ATOM 200 O2 DC B 1 8.003 8.024 -0.054 1.00 0.00 O ATOM 201 N3 DC B 1 5.827 7.709 0.398 1.00 0.00 N ATOM 202 C4 DC B 1 4.640 7.220 0.023 1.00 0.00 C ATOM 203 N4 DC B 1 3.657 7.192 0.914 1.00 0.00 N ATOM 204 C5 DC B 1 4.472 6.537 -1.219 1.00 0.00 C ATOM 205 C6 DC B 1 5.566 6.387 -1.996 1.00 0.00 C ATOM 0 H5' DC B 1 6.818 6.256 -5.591 1.00 0.00 H new ATOM 0 H5'' DC B 1 7.819 7.430 -6.422 1.00 0.00 H new ATOM 0 H4' DC B 1 9.577 7.248 -4.844 1.00 0.00 H new ATOM 0 H3' DC B 1 8.995 4.469 -4.692 1.00 0.00 H new ATOM 0 H2' DC B 1 7.102 4.805 -3.194 1.00 0.00 H new ATOM 0 H2'' DC B 1 8.430 4.531 -2.084 1.00 0.00 H new ATOM 0 HO5' DC B 1 7.811 5.373 -7.486 1.00 0.00 H new ATOM 0 H1' DC B 1 8.834 6.930 -1.791 1.00 0.00 H new ATOM 0 H41 DC B 1 2.742 6.824 0.653 1.00 0.00 H new ATOM 0 H42 DC B 1 3.816 7.539 1.860 1.00 0.00 H new ATOM 0 H5 DC B 1 3.509 6.156 -1.525 1.00 0.00 H new ATOM 0 H6 DC B 1 5.482 5.869 -2.940 1.00 0.00 H new ATOM 218 P DG B 2 11.256 4.039 -3.398 1.00 0.00 P ATOM 219 OP1 DG B 2 10.633 3.225 -2.332 1.00 0.00 O ATOM 220 OP2 DG B 2 12.687 4.402 -3.315 1.00 0.00 O ATOM 221 O5' DG B 2 10.974 3.402 -4.863 1.00 0.00 O ATOM 222 C5' DG B 2 10.846 2.009 -5.098 1.00 0.00 C ATOM 223 C4' DG B 2 9.729 1.388 -4.258 1.00 0.00 C ATOM 224 O4' DG B 2 8.653 2.267 -4.059 1.00 0.00 O ATOM 225 C3' DG B 2 9.084 0.139 -4.862 1.00 0.00 C ATOM 226 O3' DG B 2 9.727 -1.007 -4.353 1.00 0.00 O ATOM 227 C2' DG B 2 7.629 0.250 -4.392 1.00 0.00 C ATOM 228 C1' DG B 2 7.697 1.444 -3.449 1.00 0.00 C ATOM 229 N9 DG B 2 6.443 2.186 -3.256 1.00 0.00 N ATOM 230 C8 DG B 2 5.919 3.190 -4.020 1.00 0.00 C ATOM 231 N7 DG B 2 4.901 3.803 -3.481 1.00 0.00 N ATOM 232 C5 DG B 2 4.735 3.147 -2.263 1.00 0.00 C ATOM 233 C6 DG B 2 3.798 3.355 -1.207 1.00 0.00 C ATOM 234 O6 DG B 2 2.846 4.136 -1.167 1.00 0.00 O ATOM 235 N1 DG B 2 4.044 2.541 -0.114 1.00 0.00 N ATOM 236 C2 DG B 2 5.056 1.611 -0.039 1.00 0.00 C ATOM 237 N2 DG B 2 5.150 0.836 1.034 1.00 0.00 N ATOM 238 N3 DG B 2 5.915 1.386 -1.032 1.00 0.00 N ATOM 239 C4 DG B 2 5.704 2.186 -2.106 1.00 0.00 C ATOM 0 H5' DG B 2 11.790 1.514 -4.869 1.00 0.00 H new ATOM 0 H5'' DG B 2 10.644 1.836 -6.155 1.00 0.00 H new ATOM 0 H4' DG B 2 10.255 1.140 -3.336 1.00 0.00 H new ATOM 0 H3' DG B 2 9.157 0.062 -5.947 1.00 0.00 H new ATOM 0 H2' DG B 2 6.943 0.423 -5.222 1.00 0.00 H new ATOM 0 H2'' DG B 2 7.293 -0.654 -3.884 1.00 0.00 H new ATOM 0 H1' DG B 2 7.933 1.107 -2.440 1.00 0.00 H new ATOM 0 H8 DG B 2 6.314 3.454 -4.990 1.00 0.00 H new ATOM 0 H1 DG B 2 3.430 2.638 0.695 1.00 0.00 H new ATOM 0 H21 DG B 2 5.896 0.144 1.099 1.00 0.00 H new ATOM 0 H22 DG B 2 4.476 0.933 1.793 1.00 0.00 H new ATOM 251 P DA B 3 9.193 -2.487 -4.692 1.00 0.00 P ATOM 252 OP1 DA B 3 10.311 -3.438 -4.506 1.00 0.00 O ATOM 253 OP2 DA B 3 8.464 -2.442 -5.978 1.00 0.00 O ATOM 254 O5' DA B 3 8.133 -2.725 -3.509 1.00 0.00 O ATOM 255 C5' DA B 3 8.597 -2.929 -2.191 1.00 0.00 C ATOM 256 C4' DA B 3 7.441 -3.237 -1.241 1.00 0.00 C ATOM 257 O4' DA B 3 6.580 -2.116 -1.120 1.00 0.00 O ATOM 258 C3' DA B 3 6.619 -4.410 -1.759 1.00 0.00 C ATOM 259 O3' DA B 3 6.263 -5.198 -0.652 1.00 0.00 O ATOM 260 C2' DA B 3 5.403 -3.706 -2.330 1.00 0.00 C ATOM 261 C1' DA B 3 5.253 -2.546 -1.357 1.00 0.00 C ATOM 262 N9 DA B 3 4.479 -1.458 -1.978 1.00 0.00 N ATOM 263 C8 DA B 3 4.653 -0.903 -3.220 1.00 0.00 C ATOM 264 N7 DA B 3 3.779 0.016 -3.525 1.00 0.00 N ATOM 265 C5 DA B 3 2.998 0.101 -2.378 1.00 0.00 C ATOM 266 C6 DA B 3 1.915 0.919 -2.023 1.00 0.00 C ATOM 267 N6 DA B 3 1.417 1.814 -2.872 1.00 0.00 N ATOM 268 N1 DA B 3 1.425 0.856 -0.774 1.00 0.00 N ATOM 269 C2 DA B 3 1.962 -0.017 0.077 1.00 0.00 C ATOM 270 N3 DA B 3 2.947 -0.882 -0.151 1.00 0.00 N ATOM 271 C4 DA B 3 3.439 -0.761 -1.411 1.00 0.00 C ATOM 0 H5' DA B 3 9.127 -2.041 -1.847 1.00 0.00 H new ATOM 0 H5'' DA B 3 9.312 -3.752 -2.177 1.00 0.00 H new ATOM 0 H4' DA B 3 7.873 -3.482 -0.271 1.00 0.00 H new ATOM 0 H3' DA B 3 7.115 -5.058 -2.482 1.00 0.00 H new ATOM 0 H2' DA B 3 5.566 -3.367 -3.353 1.00 0.00 H new ATOM 0 H2'' DA B 3 4.523 -4.349 -2.343 1.00 0.00 H new ATOM 0 H1' DA B 3 4.731 -2.832 -0.444 1.00 0.00 H new ATOM 0 H8 DA B 3 5.447 -1.202 -3.889 1.00 0.00 H new ATOM 0 H61 DA B 3 0.629 2.398 -2.593 1.00 0.00 H new ATOM 0 H62 DA B 3 1.823 1.916 -3.802 1.00 0.00 H new ATOM 0 H2 DA B 3 1.547 -0.023 1.074 1.00 0.00 H new ATOM 283 P DT B 4 5.418 -6.553 -0.822 1.00 0.00 P ATOM 284 OP1 DT B 4 6.262 -7.539 -1.530 1.00 0.00 O ATOM 285 OP2 DT B 4 4.075 -6.218 -1.349 1.00 0.00 O ATOM 286 O5' DT B 4 5.289 -7.008 0.715 1.00 0.00 O ATOM 287 C5' DT B 4 5.134 -6.057 1.752 1.00 0.00 C ATOM 288 C4' DT B 4 3.724 -5.473 1.824 1.00 0.00 C ATOM 289 O4' DT B 4 3.468 -4.475 0.854 1.00 0.00 O ATOM 290 C3' DT B 4 2.660 -6.553 1.648 1.00 0.00 C ATOM 291 O3' DT B 4 2.035 -6.751 2.892 1.00 0.00 O ATOM 292 C2' DT B 4 1.729 -5.927 0.618 1.00 0.00 C ATOM 293 C1' DT B 4 2.064 -4.457 0.733 1.00 0.00 C ATOM 294 N1 DT B 4 1.595 -3.752 -0.469 1.00 0.00 N ATOM 295 C2 DT B 4 0.634 -2.768 -0.296 1.00 0.00 C ATOM 296 O2 DT B 4 0.165 -2.489 0.803 1.00 0.00 O ATOM 297 N3 DT B 4 0.231 -2.106 -1.440 1.00 0.00 N ATOM 298 C4 DT B 4 0.713 -2.330 -2.712 1.00 0.00 C ATOM 299 O4 DT B 4 0.322 -1.646 -3.651 1.00 0.00 O ATOM 300 C5 DT B 4 1.700 -3.386 -2.807 1.00 0.00 C ATOM 301 C7 DT B 4 2.331 -3.683 -4.146 1.00 0.00 C ATOM 302 C6 DT B 4 2.099 -4.060 -1.702 1.00 0.00 C ATOM 0 H5' DT B 4 5.849 -5.248 1.604 1.00 0.00 H new ATOM 0 H5'' DT B 4 5.376 -6.526 2.706 1.00 0.00 H new ATOM 0 H4' DT B 4 3.672 -5.023 2.816 1.00 0.00 H new ATOM 0 H3' DT B 4 3.018 -7.530 1.325 1.00 0.00 H new ATOM 0 H2' DT B 4 1.916 -6.310 -0.385 1.00 0.00 H new ATOM 0 H2'' DT B 4 0.681 -6.124 0.844 1.00 0.00 H new ATOM 0 H1' DT B 4 1.594 -3.935 1.567 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.486 -1.388 -1.334 1.00 0.00 H new ATOM 0 H71 DT B 4 1.624 -3.449 -4.942 1.00 0.00 H new ATOM 0 H72 DT B 4 3.228 -3.076 -4.268 1.00 0.00 H new ATOM 0 H73 DT B 4 2.597 -4.739 -4.197 1.00 0.00 H new ATOM 0 H6 DT B 4 2.826 -4.853 -1.796 1.00 0.00 H new ATOM 315 P DC B 5 0.904 -7.872 3.100 1.00 0.00 P ATOM 316 OP1 DC B 5 1.270 -8.705 4.266 1.00 0.00 O ATOM 317 OP2 DC B 5 0.596 -8.500 1.796 1.00 0.00 O ATOM 318 O5' DC B 5 -0.336 -6.943 3.507 1.00 0.00 O ATOM 319 C5' DC B 5 -0.226 -6.093 4.627 1.00 0.00 C ATOM 320 C4' DC B 5 -1.572 -5.466 4.990 1.00 0.00 C ATOM 321 O4' DC B 5 -1.955 -4.466 4.063 1.00 0.00 O ATOM 322 C3' DC B 5 -2.645 -6.543 4.987 1.00 0.00 C ATOM 323 O3' DC B 5 -3.561 -6.292 6.027 1.00 0.00 O ATOM 324 C2' DC B 5 -3.255 -6.401 3.598 1.00 0.00 C ATOM 325 C1' DC B 5 -2.921 -4.974 3.161 1.00 0.00 C ATOM 326 N1 DC B 5 -2.384 -4.915 1.781 1.00 0.00 N ATOM 327 C2 DC B 5 -2.637 -3.769 1.043 1.00 0.00 C ATOM 328 O2 DC B 5 -3.212 -2.803 1.541 1.00 0.00 O ATOM 329 N3 DC B 5 -2.340 -3.765 -0.287 1.00 0.00 N ATOM 330 C4 DC B 5 -1.745 -4.816 -0.853 1.00 0.00 C ATOM 331 N4 DC B 5 -1.467 -4.742 -2.150 1.00 0.00 N ATOM 332 C5 DC B 5 -1.367 -5.964 -0.092 1.00 0.00 C ATOM 333 C6 DC B 5 -1.718 -5.969 1.217 1.00 0.00 C ATOM 0 H5' DC B 5 0.498 -5.306 4.418 1.00 0.00 H new ATOM 0 H5'' DC B 5 0.154 -6.658 5.478 1.00 0.00 H new ATOM 0 H4' DC B 5 -1.467 -5.011 5.975 1.00 0.00 H new ATOM 0 H3' DC B 5 -2.288 -7.557 5.164 1.00 0.00 H new ATOM 0 H2' DC B 5 -2.837 -7.133 2.907 1.00 0.00 H new ATOM 0 H2'' DC B 5 -4.332 -6.564 3.622 1.00 0.00 H new ATOM 0 H1' DC B 5 -3.836 -4.382 3.170 1.00 0.00 H new ATOM 0 H41 DC B 5 -1.012 -5.525 -2.620 1.00 0.00 H new ATOM 0 H42 DC B 5 -1.708 -3.902 -2.676 1.00 0.00 H new ATOM 0 H5 DC B 5 -0.828 -6.787 -0.538 1.00 0.00 H new ATOM 0 H6 DC B 5 -1.467 -6.823 1.828 1.00 0.00 H new ATOM 345 P DG B 6 -4.677 -7.380 6.420 1.00 0.00 P ATOM 346 OP1 DG B 6 -5.024 -7.201 7.847 1.00 0.00 O ATOM 347 OP2 DG B 6 -4.243 -8.704 5.921 1.00 0.00 O ATOM 348 O5' DG B 6 -5.912 -6.884 5.538 1.00 0.00 O ATOM 349 C5' DG B 6 -6.439 -5.591 5.746 1.00 0.00 C ATOM 350 C4' DG B 6 -7.477 -5.291 4.673 1.00 0.00 C ATOM 351 O4' DG B 6 -6.861 -5.490 3.419 1.00 0.00 O ATOM 352 C3' DG B 6 -8.649 -6.255 4.780 1.00 0.00 C ATOM 353 O3' DG B 6 -9.868 -5.559 4.637 1.00 0.00 O ATOM 354 C2' DG B 6 -8.473 -7.188 3.604 1.00 0.00 C ATOM 355 C1' DG B 6 -7.702 -6.313 2.640 1.00 0.00 C ATOM 356 N9 DG B 6 -6.858 -7.141 1.773 1.00 0.00 N ATOM 357 C8 DG B 6 -5.610 -7.597 2.063 1.00 0.00 C ATOM 358 N7 DG B 6 -4.916 -7.971 1.023 1.00 0.00 N ATOM 359 C5 DG B 6 -5.811 -7.800 -0.034 1.00 0.00 C ATOM 360 C6 DG B 6 -5.617 -7.892 -1.446 1.00 0.00 C ATOM 361 O6 DG B 6 -4.578 -8.113 -2.066 1.00 0.00 O ATOM 362 N1 DG B 6 -6.773 -7.619 -2.160 1.00 0.00 N ATOM 363 C2 DG B 6 -7.983 -7.310 -1.589 1.00 0.00 C ATOM 364 N2 DG B 6 -9.041 -7.204 -2.386 1.00 0.00 N ATOM 365 N3 DG B 6 -8.156 -7.122 -0.279 1.00 0.00 N ATOM 366 C4 DG B 6 -7.029 -7.367 0.435 1.00 0.00 C ATOM 0 H5' DG B 6 -5.640 -4.850 5.712 1.00 0.00 H new ATOM 0 H5'' DG B 6 -6.892 -5.526 6.735 1.00 0.00 H new ATOM 0 H4' DG B 6 -7.842 -4.271 4.792 1.00 0.00 H new ATOM 0 H3' DG B 6 -8.672 -6.770 5.740 1.00 0.00 H new ATOM 0 H2' DG B 6 -7.920 -8.088 3.873 1.00 0.00 H new ATOM 0 H2'' DG B 6 -9.428 -7.512 3.190 1.00 0.00 H new ATOM 0 HO3' DG B 6 -10.615 -6.190 4.706 1.00 0.00 H new ATOM 0 H1' DG B 6 -8.387 -5.734 2.021 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.225 -7.646 3.071 1.00 0.00 H new ATOM 0 H1 DG B 6 -6.722 -7.650 -3.178 1.00 0.00 H new ATOM 0 H21 DG B 6 -9.954 -6.976 -1.993 1.00 0.00 H new ATOM 0 H22 DG B 6 -8.940 -7.351 -3.390 1.00 0.00 H new TER 378 DG B 6 HETATM 379 C4 PPZ A 7 8.170 2.036 2.660 1.00 0.00 C HETATM 380 C5 PPZ A 7 9.076 2.551 1.727 1.00 0.00 C HETATM 381 N7 PPZ A 7 8.417 3.463 0.900 1.00 0.00 N HETATM 382 C8 PPZ A 7 7.157 3.651 1.436 1.00 0.00 C HETATM 383 C13 PPZ A 7 6.125 4.552 1.137 1.00 0.00 C HETATM 384 C12 PPZ A 7 5.015 4.628 1.987 1.00 0.00 C HETATM 385 C11 PPZ A 7 4.950 3.798 3.116 1.00 0.00 C HETATM 386 C10 PPZ A 7 5.951 2.843 3.357 1.00 0.00 C HETATM 387 N9 PPZ A 7 7.046 2.811 2.522 1.00 0.00 N HETATM 388 C6 PPZ A 7 10.402 2.113 1.857 1.00 0.00 C HETATM 389 N6 PPZ A 7 11.417 2.836 1.260 1.00 0.00 N HETATM 390 N1 PPZ A 7 10.689 1.158 2.757 1.00 0.00 N HETATM 391 C2 PPZ A 7 9.709 0.697 3.534 1.00 0.00 C HETATM 392 N3 PPZ A 7 8.436 1.082 3.585 1.00 0.00 N HETATM 393 C61 PPZ A 7 11.256 4.127 0.608 1.00 0.00 C HETATM 394 C7 PPZ A 7 10.468 5.082 1.515 1.00 0.00 C HETATM 395 O8 PPZ A 7 11.282 5.648 2.518 1.00 0.00 O HETATM 0 H8 PPZ A 7 10.847 5.544 3.390 1.00 0.00 H new HETATM 0 H72 PPZ A 7 10.030 5.877 0.911 1.00 0.00 H new HETATM 0 H71 PPZ A 7 9.642 4.543 1.979 1.00 0.00 H new HETATM 0 H62 PPZ A 7 12.233 4.553 0.381 1.00 0.00 H new HETATM 0 H61 PPZ A 7 10.735 4.001 -0.341 1.00 0.00 H new HETATM 0 H6 PPZ A 7 12.354 2.433 1.278 1.00 0.00 H new HETATM 0 H2 PPZ A 7 9.988 -0.103 4.220 1.00 0.00 H new HETATM 0 H13 PPZ A 7 6.186 5.186 0.253 1.00 0.00 H new HETATM 0 H12 PPZ A 7 4.207 5.327 1.773 1.00 0.00 H new HETATM 0 H11 PPZ A 7 4.116 3.895 3.811 1.00 0.00 H new HETATM 0 H10 PPZ A 7 5.863 2.142 4.187 1.00 0.00 H new HETATM 407 C4 PPZ B 7 -8.400 -3.282 1.076 1.00 0.00 C HETATM 408 C5 PPZ B 7 -9.419 -3.199 0.122 1.00 0.00 C HETATM 409 N7 PPZ B 7 -8.868 -3.343 -1.152 1.00 0.00 N HETATM 410 C8 PPZ B 7 -7.550 -3.720 -0.977 1.00 0.00 C HETATM 411 C13 PPZ B 7 -6.568 -4.172 -1.872 1.00 0.00 C HETATM 412 C12 PPZ B 7 -5.381 -4.716 -1.365 1.00 0.00 C HETATM 413 C11 PPZ B 7 -5.183 -4.769 0.022 1.00 0.00 C HETATM 414 C10 PPZ B 7 -6.134 -4.229 0.902 1.00 0.00 C HETATM 415 N9 PPZ B 7 -7.309 -3.737 0.379 1.00 0.00 N HETATM 416 C6 PPZ B 7 -10.719 -3.054 0.628 1.00 0.00 C HETATM 417 N6 PPZ B 7 -11.801 -3.366 -0.174 1.00 0.00 N HETATM 418 N1 PPZ B 7 -10.887 -2.844 1.943 1.00 0.00 N HETATM 419 C2 PPZ B 7 -9.815 -2.860 2.735 1.00 0.00 C HETATM 420 N3 PPZ B 7 -8.545 -3.098 2.413 1.00 0.00 N HETATM 421 C61 PPZ B 7 -11.729 -3.951 -1.505 1.00 0.00 C HETATM 422 C7 PPZ B 7 -10.787 -5.163 -1.523 1.00 0.00 C HETATM 423 O8 PPZ B 7 -11.437 -6.348 -1.120 1.00 0.00 O HETATM 0 H8 PPZ B 7 -11.796 -6.808 -1.907 1.00 0.00 H new HETATM 0 H72 PPZ B 7 -10.386 -5.294 -2.528 1.00 0.00 H new HETATM 0 H71 PPZ B 7 -9.940 -4.973 -0.864 1.00 0.00 H new HETATM 0 H62 PPZ B 7 -12.725 -4.255 -1.827 1.00 0.00 H new HETATM 0 H61 PPZ B 7 -11.379 -3.203 -2.216 1.00 0.00 H new HETATM 0 H6 PPZ B 7 -12.730 -3.169 0.199 1.00 0.00 H new HETATM 0 H2 PPZ B 7 -10.003 -2.650 3.788 1.00 0.00 H new HETATM 0 H13 PPZ B 7 -6.727 -4.101 -2.948 1.00 0.00 H new HETATM 0 H12 PPZ B 7 -4.617 -5.095 -2.044 1.00 0.00 H new HETATM 0 H11 PPZ B 7 -4.282 -5.234 0.421 1.00 0.00 H new HETATM 0 H10 PPZ B 7 -5.947 -4.200 1.975 1.00 0.00 H new