USER MOD reduce.3.24.130724 H: found=0, std=0, add=186, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 2 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT C7 :methyl 150:sc= -0.218 (180deg=-0.218) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 9 DG O5' : rot 180:sc= 0 USER MOD Single : B 10 DT C7 :methyl 150:sc=-0.00194 (180deg=-0.00194) USER MOD Single : B 12 DT C7 :methyl 150:sc= -0.0958 (180deg=-0.0958) USER MOD Single : B 14 DT C7 :methyl 150:sc= -0.241 (180deg=-0.241) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 3.622 -16.782 -0.976 1.00 0.00 O ATOM 2 C5' DG A 1 2.847 -15.720 -1.489 1.00 0.00 C ATOM 3 C4' DG A 1 3.637 -14.940 -2.554 1.00 0.00 C ATOM 4 O4' DG A 1 2.772 -14.206 -3.412 1.00 0.00 O ATOM 5 C3' DG A 1 4.643 -13.959 -1.967 1.00 0.00 C ATOM 6 O3' DG A 1 5.859 -14.041 -2.689 1.00 0.00 O ATOM 7 C2' DG A 1 3.950 -12.628 -2.197 1.00 0.00 C ATOM 8 C1' DG A 1 3.231 -12.866 -3.513 1.00 0.00 C ATOM 9 N9 DG A 1 2.071 -11.972 -3.640 1.00 0.00 N ATOM 10 C8 DG A 1 0.979 -11.947 -2.831 1.00 0.00 C ATOM 11 N7 DG A 1 0.049 -11.111 -3.199 1.00 0.00 N ATOM 12 C5 DG A 1 0.586 -10.517 -4.342 1.00 0.00 C ATOM 13 C6 DG A 1 0.061 -9.506 -5.201 1.00 0.00 C ATOM 14 O6 DG A 1 -1.048 -8.977 -5.168 1.00 0.00 O ATOM 15 N1 DG A 1 0.969 -9.104 -6.168 1.00 0.00 N ATOM 16 C2 DG A 1 2.221 -9.645 -6.333 1.00 0.00 C ATOM 17 N2 DG A 1 3.035 -9.098 -7.227 1.00 0.00 N ATOM 18 N3 DG A 1 2.699 -10.631 -5.573 1.00 0.00 N ATOM 19 C4 DG A 1 1.842 -11.016 -4.595 1.00 0.00 C ATOM 0 H5' DG A 1 2.557 -15.050 -0.680 1.00 0.00 H new ATOM 0 H5'' DG A 1 1.927 -16.111 -1.924 1.00 0.00 H new ATOM 0 H4' DG A 1 4.177 -15.706 -3.110 1.00 0.00 H new ATOM 0 H3' DG A 1 4.901 -14.133 -0.922 1.00 0.00 H new ATOM 0 H2' DG A 1 3.256 -12.385 -1.392 1.00 0.00 H new ATOM 0 H2'' DG A 1 4.661 -11.805 -2.264 1.00 0.00 H new ATOM 0 HO5' DG A 1 3.105 -17.267 -0.299 1.00 0.00 H new ATOM 0 H1' DG A 1 3.876 -12.685 -4.373 1.00 0.00 H new ATOM 0 H8 DG A 1 0.889 -12.570 -1.953 1.00 0.00 H new ATOM 0 H1 DG A 1 0.688 -8.355 -6.801 1.00 0.00 H new ATOM 0 H21 DG A 1 3.970 -9.482 -7.368 1.00 0.00 H new ATOM 0 H22 DG A 1 2.726 -8.294 -7.773 1.00 0.00 H new ATOM 20 P DT A 2 7.174 -13.227 -2.238 1.00 0.00 P ATOM 21 OP1 DT A 2 8.351 -13.863 -2.867 1.00 0.00 O ATOM 22 OP2 DT A 2 7.128 -13.069 -0.768 1.00 0.00 O ATOM 23 O5' DT A 2 6.978 -11.769 -2.900 1.00 0.00 O ATOM 24 C5' DT A 2 7.233 -11.546 -4.274 1.00 0.00 C ATOM 25 C4' DT A 2 7.035 -10.073 -4.664 1.00 0.00 C ATOM 26 O4' DT A 2 5.663 -9.711 -4.697 1.00 0.00 O ATOM 27 C3' DT A 2 7.738 -9.084 -3.724 1.00 0.00 C ATOM 28 O3' DT A 2 8.612 -8.264 -4.486 1.00 0.00 O ATOM 29 C2' DT A 2 6.577 -8.316 -3.112 1.00 0.00 C ATOM 30 C1' DT A 2 5.567 -8.371 -4.254 1.00 0.00 C ATOM 31 N1 DT A 2 4.182 -8.055 -3.838 1.00 0.00 N ATOM 32 C2 DT A 2 3.423 -7.161 -4.591 1.00 0.00 C ATOM 33 O2 DT A 2 3.849 -6.560 -5.572 1.00 0.00 O ATOM 34 N3 DT A 2 2.121 -6.967 -4.177 1.00 0.00 N ATOM 35 C4 DT A 2 1.557 -7.493 -3.036 1.00 0.00 C ATOM 36 O4 DT A 2 0.417 -7.164 -2.715 1.00 0.00 O ATOM 37 C5 DT A 2 2.399 -8.429 -2.315 1.00 0.00 C ATOM 38 C7 DT A 2 1.880 -9.101 -1.060 1.00 0.00 C ATOM 39 C6 DT A 2 3.660 -8.678 -2.740 1.00 0.00 C ATOM 0 H5' DT A 2 6.570 -12.172 -4.872 1.00 0.00 H new ATOM 0 H5'' DT A 2 8.254 -11.849 -4.507 1.00 0.00 H new ATOM 0 H4' DT A 2 7.482 -10.003 -5.656 1.00 0.00 H new ATOM 0 H3' DT A 2 8.363 -9.536 -2.954 1.00 0.00 H new ATOM 0 H2' DT A 2 6.201 -8.788 -2.204 1.00 0.00 H new ATOM 0 H2'' DT A 2 6.850 -7.294 -2.850 1.00 0.00 H new ATOM 0 H1' DT A 2 5.787 -7.626 -5.019 1.00 0.00 H new ATOM 0 H3 DT A 2 1.526 -6.385 -4.766 1.00 0.00 H new ATOM 0 H71 DT A 2 2.341 -10.083 -0.956 1.00 0.00 H new ATOM 0 H72 DT A 2 2.128 -8.491 -0.192 1.00 0.00 H new ATOM 0 H73 DT A 2 0.798 -9.213 -1.128 1.00 0.00 H new ATOM 0 H6 DT A 2 4.268 -9.387 -2.198 1.00 0.00 H new ATOM 40 P DA A 3 9.475 -7.070 -3.834 1.00 0.00 P ATOM 41 OP1 DA A 3 10.712 -6.906 -4.628 1.00 0.00 O ATOM 42 OP2 DA A 3 9.574 -7.301 -2.376 1.00 0.00 O ATOM 43 O5' DA A 3 8.540 -5.777 -4.077 1.00 0.00 O ATOM 44 C5' DA A 3 8.470 -5.153 -5.349 1.00 0.00 C ATOM 45 C4' DA A 3 7.693 -3.829 -5.298 1.00 0.00 C ATOM 46 O4' DA A 3 6.295 -4.034 -5.123 1.00 0.00 O ATOM 47 C3' DA A 3 8.176 -2.915 -4.166 1.00 0.00 C ATOM 48 O3' DA A 3 8.483 -1.638 -4.702 1.00 0.00 O ATOM 49 C2' DA A 3 6.967 -2.906 -3.239 1.00 0.00 C ATOM 50 C1' DA A 3 5.803 -3.063 -4.213 1.00 0.00 C ATOM 51 N9 DA A 3 4.586 -3.567 -3.540 1.00 0.00 N ATOM 52 C8 DA A 3 4.498 -4.637 -2.697 1.00 0.00 C ATOM 53 N7 DA A 3 3.292 -4.904 -2.272 1.00 0.00 N ATOM 54 C5 DA A 3 2.516 -3.938 -2.908 1.00 0.00 C ATOM 55 C6 DA A 3 1.133 -3.674 -2.927 1.00 0.00 C ATOM 56 N6 DA A 3 0.255 -4.441 -2.287 1.00 0.00 N ATOM 57 N1 DA A 3 0.663 -2.652 -3.662 1.00 0.00 N ATOM 58 C2 DA A 3 1.539 -1.917 -4.341 1.00 0.00 C ATOM 59 N3 DA A 3 2.857 -2.057 -4.412 1.00 0.00 N ATOM 60 C4 DA A 3 3.294 -3.107 -3.671 1.00 0.00 C ATOM 0 H5' DA A 3 7.990 -5.828 -6.058 1.00 0.00 H new ATOM 0 H5'' DA A 3 9.479 -4.967 -5.718 1.00 0.00 H new ATOM 0 H4' DA A 3 7.880 -3.353 -6.260 1.00 0.00 H new ATOM 0 H3' DA A 3 9.083 -3.230 -3.650 1.00 0.00 H new ATOM 0 H2' DA A 3 7.004 -3.721 -2.516 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.898 -1.978 -2.671 1.00 0.00 H new ATOM 0 H1' DA A 3 5.510 -2.120 -4.675 1.00 0.00 H new ATOM 0 H8 DA A 3 5.360 -5.218 -2.404 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.740 -4.218 -2.324 1.00 0.00 H new ATOM 0 H62 DA A 3 0.576 -5.253 -1.759 1.00 0.00 H new ATOM 0 H2 DA A 3 1.123 -1.098 -4.910 1.00 0.00 H new ATOM 61 P DT A 4 8.978 -0.398 -3.795 1.00 0.00 P ATOM 62 OP1 DT A 4 10.028 0.334 -4.537 1.00 0.00 O ATOM 63 OP2 DT A 4 9.252 -0.879 -2.423 1.00 0.00 O ATOM 64 O5' DT A 4 7.659 0.512 -3.751 1.00 0.00 O ATOM 65 C5' DT A 4 7.199 1.177 -4.915 1.00 0.00 C ATOM 66 C4' DT A 4 5.853 1.853 -4.637 1.00 0.00 C ATOM 67 O4' DT A 4 4.901 0.879 -4.224 1.00 0.00 O ATOM 68 C3' DT A 4 5.956 2.921 -3.542 1.00 0.00 C ATOM 69 O3' DT A 4 5.165 4.062 -3.779 1.00 0.00 O ATOM 70 C2' DT A 4 5.297 2.198 -2.407 1.00 0.00 C ATOM 71 C1' DT A 4 4.200 1.434 -3.135 1.00 0.00 C ATOM 72 N1 DT A 4 3.583 0.398 -2.275 1.00 0.00 N ATOM 73 C2 DT A 4 2.197 0.342 -2.187 1.00 0.00 C ATOM 74 O2 DT A 4 1.441 1.088 -2.801 1.00 0.00 O ATOM 75 N3 DT A 4 1.680 -0.614 -1.342 1.00 0.00 N ATOM 76 C4 DT A 4 2.396 -1.521 -0.596 1.00 0.00 C ATOM 77 O4 DT A 4 1.800 -2.354 0.081 1.00 0.00 O ATOM 78 C5 DT A 4 3.837 -1.409 -0.744 1.00 0.00 C ATOM 79 C7 DT A 4 4.744 -2.350 0.026 1.00 0.00 C ATOM 80 C6 DT A 4 4.369 -0.472 -1.568 1.00 0.00 C ATOM 0 H5' DT A 4 7.095 0.464 -5.733 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.930 1.921 -5.231 1.00 0.00 H new ATOM 0 H4' DT A 4 5.541 2.336 -5.563 1.00 0.00 H new ATOM 0 H3' DT A 4 6.980 3.275 -3.422 1.00 0.00 H new ATOM 0 H2' DT A 4 5.987 1.532 -1.888 1.00 0.00 H new ATOM 0 H2'' DT A 4 4.895 2.884 -1.661 1.00 0.00 H new ATOM 0 H1' DT A 4 3.357 2.056 -3.436 1.00 0.00 H new ATOM 0 H3 DT A 4 0.664 -0.654 -1.261 1.00 0.00 H new ATOM 0 H71 DT A 4 5.660 -2.517 -0.540 1.00 0.00 H new ATOM 0 H72 DT A 4 4.990 -1.909 0.992 1.00 0.00 H new ATOM 0 H73 DT A 4 4.235 -3.301 0.181 1.00 0.00 H new ATOM 0 H6 DT A 4 5.442 -0.411 -1.669 1.00 0.00 H new ATOM 81 P DA A 5 5.647 5.288 -4.686 1.00 0.00 P ATOM 82 OP1 DA A 5 6.243 4.780 -5.940 1.00 0.00 O ATOM 83 OP2 DA A 5 6.391 6.236 -3.828 1.00 0.00 O ATOM 84 O5' DA A 5 4.204 5.917 -5.015 1.00 0.00 O ATOM 85 C5' DA A 5 3.381 5.366 -6.028 1.00 0.00 C ATOM 86 C4' DA A 5 1.900 5.425 -5.636 1.00 0.00 C ATOM 87 O4' DA A 5 1.639 4.491 -4.605 1.00 0.00 O ATOM 88 C3' DA A 5 1.444 6.809 -5.163 1.00 0.00 C ATOM 89 O3' DA A 5 0.289 7.178 -5.901 1.00 0.00 O ATOM 90 C2' DA A 5 1.196 6.588 -3.688 1.00 0.00 C ATOM 91 C1' DA A 5 0.880 5.104 -3.584 1.00 0.00 C ATOM 92 N9 DA A 5 1.355 4.541 -2.312 1.00 0.00 N ATOM 93 C8 DA A 5 2.645 4.544 -1.861 1.00 0.00 C ATOM 94 N7 DA A 5 2.854 3.787 -0.819 1.00 0.00 N ATOM 95 C5 DA A 5 1.605 3.231 -0.583 1.00 0.00 C ATOM 96 C6 DA A 5 1.153 2.274 0.335 1.00 0.00 C ATOM 97 N6 DA A 5 1.989 1.639 1.153 1.00 0.00 N ATOM 98 N1 DA A 5 -0.150 1.973 0.370 1.00 0.00 N ATOM 99 C2 DA A 5 -0.972 2.582 -0.480 1.00 0.00 C ATOM 100 N3 DA A 5 -0.667 3.458 -1.430 1.00 0.00 N ATOM 101 C4 DA A 5 0.664 3.727 -1.446 1.00 0.00 C ATOM 0 H5' DA A 5 3.670 4.331 -6.211 1.00 0.00 H new ATOM 0 H5'' DA A 5 3.535 5.910 -6.960 1.00 0.00 H new ATOM 0 H4' DA A 5 1.340 5.188 -6.540 1.00 0.00 H new ATOM 0 H3' DA A 5 2.148 7.627 -5.315 1.00 0.00 H new ATOM 0 H2' DA A 5 2.070 6.852 -3.093 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.368 7.198 -3.327 1.00 0.00 H new ATOM 0 H1' DA A 5 -0.196 4.944 -3.659 1.00 0.00 H new ATOM 0 H8 DA A 5 3.427 5.125 -2.328 1.00 0.00 H new ATOM 0 H61 DA A 5 1.631 0.947 1.811 1.00 0.00 H new ATOM 0 H62 DA A 5 2.988 1.844 1.122 1.00 0.00 H new ATOM 0 H2 DA A 5 -2.019 2.333 -0.386 1.00 0.00 H new ATOM 102 P DT A 6 -0.444 8.604 -5.736 1.00 0.00 P ATOM 103 OP1 DT A 6 -1.337 8.796 -6.900 1.00 0.00 O ATOM 104 OP2 DT A 6 0.576 9.628 -5.421 1.00 0.00 O ATOM 105 O5' DT A 6 -1.361 8.384 -4.432 1.00 0.00 O ATOM 106 C5' DT A 6 -2.484 7.524 -4.472 1.00 0.00 C ATOM 107 C4' DT A 6 -3.044 7.262 -3.068 1.00 0.00 C ATOM 108 O4' DT A 6 -2.168 6.530 -2.232 1.00 0.00 O ATOM 109 C3' DT A 6 -3.446 8.535 -2.315 1.00 0.00 C ATOM 110 O3' DT A 6 -4.860 8.557 -2.202 1.00 0.00 O ATOM 111 C2' DT A 6 -2.717 8.364 -0.982 1.00 0.00 C ATOM 112 C1' DT A 6 -2.505 6.852 -0.894 1.00 0.00 C ATOM 113 N1 DT A 6 -1.384 6.438 -0.014 1.00 0.00 N ATOM 114 C2 DT A 6 -1.586 5.460 0.962 1.00 0.00 C ATOM 115 O2 DT A 6 -2.686 5.001 1.250 1.00 0.00 O ATOM 116 N3 DT A 6 -0.460 5.015 1.632 1.00 0.00 N ATOM 117 C4 DT A 6 0.815 5.521 1.473 1.00 0.00 C ATOM 118 O4 DT A 6 1.738 5.073 2.146 1.00 0.00 O ATOM 119 C5 DT A 6 0.948 6.529 0.438 1.00 0.00 C ATOM 120 C7 DT A 6 2.302 7.155 0.165 1.00 0.00 C ATOM 121 C6 DT A 6 -0.135 6.927 -0.271 1.00 0.00 C ATOM 0 H5' DT A 6 -2.202 6.578 -4.935 1.00 0.00 H new ATOM 0 H5'' DT A 6 -3.260 7.966 -5.097 1.00 0.00 H new ATOM 0 H4' DT A 6 -3.933 6.666 -3.274 1.00 0.00 H new ATOM 0 H3' DT A 6 -3.183 9.482 -2.785 1.00 0.00 H new ATOM 0 H2' DT A 6 -1.771 8.905 -0.968 1.00 0.00 H new ATOM 0 H2'' DT A 6 -3.310 8.737 -0.147 1.00 0.00 H new ATOM 0 H1' DT A 6 -3.381 6.357 -0.475 1.00 0.00 H new ATOM 0 H3 DT A 6 -0.582 4.251 2.297 1.00 0.00 H new ATOM 0 H71 DT A 6 2.366 7.440 -0.885 1.00 0.00 H new ATOM 0 H72 DT A 6 2.426 8.040 0.789 1.00 0.00 H new ATOM 0 H73 DT A 6 3.088 6.436 0.394 1.00 0.00 H new ATOM 0 H6 DT A 6 -0.007 7.651 -1.062 1.00 0.00 H new ATOM 122 P DA A 7 -5.655 9.782 -1.526 1.00 0.00 P ATOM 123 OP1 DA A 7 -7.056 9.750 -2.001 1.00 0.00 O ATOM 124 OP2 DA A 7 -4.858 11.016 -1.699 1.00 0.00 O ATOM 125 O5' DA A 7 -5.637 9.385 0.029 1.00 0.00 O ATOM 126 C5' DA A 7 -6.483 8.374 0.540 1.00 0.00 C ATOM 127 C4' DA A 7 -6.196 8.121 2.026 1.00 0.00 C ATOM 128 O4' DA A 7 -4.991 7.393 2.217 1.00 0.00 O ATOM 129 C3' DA A 7 -6.106 9.402 2.864 1.00 0.00 C ATOM 130 O3' DA A 7 -7.270 9.515 3.674 1.00 0.00 O ATOM 131 C2' DA A 7 -4.825 9.175 3.642 1.00 0.00 C ATOM 132 C1' DA A 7 -4.515 7.692 3.514 1.00 0.00 C ATOM 133 N9 DA A 7 -3.068 7.429 3.624 1.00 0.00 N ATOM 134 C8 DA A 7 -2.082 8.122 2.992 1.00 0.00 C ATOM 135 N7 DA A 7 -0.868 7.755 3.298 1.00 0.00 N ATOM 136 C5 DA A 7 -1.078 6.705 4.190 1.00 0.00 C ATOM 137 C6 DA A 7 -0.203 5.860 4.897 1.00 0.00 C ATOM 138 N6 DA A 7 1.120 5.974 4.809 1.00 0.00 N ATOM 139 N1 DA A 7 -0.709 4.888 5.671 1.00 0.00 N ATOM 140 C2 DA A 7 -2.031 4.764 5.745 1.00 0.00 C ATOM 141 N3 DA A 7 -2.965 5.508 5.161 1.00 0.00 N ATOM 142 C4 DA A 7 -2.418 6.476 4.379 1.00 0.00 C ATOM 0 H5' DA A 7 -6.338 7.453 -0.025 1.00 0.00 H new ATOM 0 H5'' DA A 7 -7.525 8.666 0.411 1.00 0.00 H new ATOM 0 H4' DA A 7 -7.053 7.540 2.368 1.00 0.00 H new ATOM 0 H3' DA A 7 -6.073 10.340 2.309 1.00 0.00 H new ATOM 0 H2' DA A 7 -4.012 9.780 3.240 1.00 0.00 H new ATOM 0 H2'' DA A 7 -4.947 9.459 4.687 1.00 0.00 H new ATOM 0 H1' DA A 7 -4.970 7.087 4.298 1.00 0.00 H new ATOM 0 H8 DA A 7 -2.289 8.916 2.290 1.00 0.00 H new ATOM 0 H61 DA A 7 1.723 5.343 5.337 1.00 0.00 H new ATOM 0 H62 DA A 7 1.531 6.693 4.214 1.00 0.00 H new ATOM 0 H2 DA A 7 -2.393 3.953 6.360 1.00 0.00 H new ATOM 143 P DC A 8 -7.495 10.699 4.752 1.00 0.00 P ATOM 144 OP1 DC A 8 -8.945 10.805 5.025 1.00 0.00 O ATOM 145 OP2 DC A 8 -6.741 11.891 4.310 1.00 0.00 O ATOM 146 O5' DC A 8 -6.787 10.110 6.072 1.00 0.00 O ATOM 147 C5' DC A 8 -7.324 8.985 6.737 1.00 0.00 C ATOM 148 C4' DC A 8 -6.303 8.411 7.722 1.00 0.00 C ATOM 149 O4' DC A 8 -5.105 8.042 7.065 1.00 0.00 O ATOM 150 C3' DC A 8 -5.862 9.390 8.808 1.00 0.00 C ATOM 151 O3' DC A 8 -6.745 9.382 9.910 1.00 0.00 O ATOM 152 C2' DC A 8 -4.483 8.853 9.196 1.00 0.00 C ATOM 153 C1' DC A 8 -4.103 7.897 8.055 1.00 0.00 C ATOM 154 N1 DC A 8 -2.764 8.213 7.495 1.00 0.00 N ATOM 155 C2 DC A 8 -1.664 7.466 7.900 1.00 0.00 C ATOM 156 O2 DC A 8 -1.772 6.557 8.718 1.00 0.00 O ATOM 157 N3 DC A 8 -0.436 7.768 7.392 1.00 0.00 N ATOM 158 C4 DC A 8 -0.285 8.778 6.531 1.00 0.00 C ATOM 159 N4 DC A 8 0.925 8.995 6.032 1.00 0.00 N ATOM 160 C5 DC A 8 -1.391 9.587 6.125 1.00 0.00 C ATOM 161 C6 DC A 8 -2.602 9.262 6.633 1.00 0.00 C ATOM 0 H5' DC A 8 -7.605 8.224 6.009 1.00 0.00 H new ATOM 0 H5'' DC A 8 -8.233 9.268 7.269 1.00 0.00 H new ATOM 0 H4' DC A 8 -6.827 7.565 8.166 1.00 0.00 H new ATOM 0 H3' DC A 8 -5.849 10.427 8.472 1.00 0.00 H new ATOM 0 H2' DC A 8 -3.757 9.660 9.295 1.00 0.00 H new ATOM 0 H2'' DC A 8 -4.515 8.334 10.154 1.00 0.00 H new ATOM 0 HO3' DC A 8 -6.431 10.019 10.586 1.00 0.00 H new ATOM 0 H1' DC A 8 -4.044 6.872 8.420 1.00 0.00 H new ATOM 0 H41 DC A 8 1.075 9.758 5.372 1.00 0.00 H new ATOM 0 H42 DC A 8 1.705 8.399 6.308 1.00 0.00 H new ATOM 0 H5 DC A 8 -1.266 10.417 5.446 1.00 0.00 H new ATOM 0 H6 DC A 8 -3.464 9.847 6.350 1.00 0.00 H new TER 162 DC A 8 ATOM 163 O5' DG B 9 9.537 3.875 13.688 1.00 0.00 O ATOM 164 C5' DG B 9 8.732 4.402 12.655 1.00 0.00 C ATOM 165 C4' DG B 9 7.247 4.345 13.054 1.00 0.00 C ATOM 166 O4' DG B 9 6.459 5.240 12.279 1.00 0.00 O ATOM 167 C3' DG B 9 6.637 2.956 12.919 1.00 0.00 C ATOM 168 O3' DG B 9 5.851 2.680 14.065 1.00 0.00 O ATOM 169 C2' DG B 9 5.785 3.113 11.671 1.00 0.00 C ATOM 170 C1' DG B 9 5.322 4.555 11.775 1.00 0.00 C ATOM 171 N9 DG B 9 4.994 5.091 10.447 1.00 0.00 N ATOM 172 C8 DG B 9 5.856 5.261 9.409 1.00 0.00 C ATOM 173 N7 DG B 9 5.335 5.834 8.359 1.00 0.00 N ATOM 174 C5 DG B 9 4.005 6.034 8.731 1.00 0.00 C ATOM 175 C6 DG B 9 2.911 6.598 8.008 1.00 0.00 C ATOM 176 O6 DG B 9 2.920 7.121 6.896 1.00 0.00 O ATOM 177 N1 DG B 9 1.711 6.499 8.696 1.00 0.00 N ATOM 178 C2 DG B 9 1.576 5.964 9.955 1.00 0.00 C ATOM 179 N2 DG B 9 0.355 5.810 10.455 1.00 0.00 N ATOM 180 N3 DG B 9 2.602 5.490 10.661 1.00 0.00 N ATOM 181 C4 DG B 9 3.782 5.546 9.996 1.00 0.00 C ATOM 0 H5' DG B 9 8.891 3.837 11.737 1.00 0.00 H new ATOM 0 H5'' DG B 9 9.021 5.433 12.449 1.00 0.00 H new ATOM 0 H4' DG B 9 7.235 4.634 14.105 1.00 0.00 H new ATOM 0 H3' DG B 9 7.351 2.136 12.843 1.00 0.00 H new ATOM 0 H2' DG B 9 6.359 2.935 10.762 1.00 0.00 H new ATOM 0 H2'' DG B 9 4.947 2.416 11.661 1.00 0.00 H new ATOM 0 HO5' DG B 9 10.479 3.915 13.421 1.00 0.00 H new ATOM 0 H1' DG B 9 4.433 4.658 12.397 1.00 0.00 H new ATOM 0 H8 DG B 9 6.889 4.947 9.450 1.00 0.00 H new ATOM 0 H1 DG B 9 0.870 6.847 8.236 1.00 0.00 H new ATOM 0 H21 DG B 9 0.232 5.415 11.387 1.00 0.00 H new ATOM 0 H22 DG B 9 -0.459 6.087 9.907 1.00 0.00 H new ATOM 182 P DT B 10 5.153 1.247 14.298 1.00 0.00 P ATOM 183 OP1 DT B 10 4.798 1.128 15.730 1.00 0.00 O ATOM 184 OP2 DT B 10 5.999 0.213 13.665 1.00 0.00 O ATOM 185 O5' DT B 10 3.786 1.359 13.451 1.00 0.00 O ATOM 186 C5' DT B 10 2.677 2.099 13.929 1.00 0.00 C ATOM 187 C4' DT B 10 1.445 1.957 13.018 1.00 0.00 C ATOM 188 O4' DT B 10 1.588 2.703 11.818 1.00 0.00 O ATOM 189 C3' DT B 10 1.155 0.508 12.594 1.00 0.00 C ATOM 190 O3' DT B 10 -0.036 -0.105 13.091 1.00 0.00 O ATOM 191 C2' DT B 10 1.294 0.534 11.077 1.00 0.00 C ATOM 192 C1' DT B 10 0.946 1.989 10.775 1.00 0.00 C ATOM 193 N1 DT B 10 1.439 2.464 9.462 1.00 0.00 N ATOM 194 C2 DT B 10 0.578 3.150 8.605 1.00 0.00 C ATOM 195 O2 DT B 10 -0.622 3.301 8.812 1.00 0.00 O ATOM 196 N3 DT B 10 1.146 3.673 7.461 1.00 0.00 N ATOM 197 C4 DT B 10 2.449 3.486 7.055 1.00 0.00 C ATOM 198 O4 DT B 10 2.821 3.933 5.973 1.00 0.00 O ATOM 199 C5 DT B 10 3.285 2.767 7.998 1.00 0.00 C ATOM 200 C7 DT B 10 4.742 2.507 7.673 1.00 0.00 C ATOM 201 C6 DT B 10 2.759 2.296 9.153 1.00 0.00 C ATOM 0 H5' DT B 10 2.951 3.151 14.005 1.00 0.00 H new ATOM 0 H5'' DT B 10 2.424 1.762 14.934 1.00 0.00 H new ATOM 0 H4' DT B 10 0.623 2.332 13.628 1.00 0.00 H new ATOM 0 H3' DT B 10 1.863 -0.170 13.070 1.00 0.00 H new ATOM 0 H2' DT B 10 2.301 0.275 10.751 1.00 0.00 H new ATOM 0 H2'' DT B 10 0.612 -0.162 10.589 1.00 0.00 H new ATOM 0 H1' DT B 10 -0.134 2.126 10.725 1.00 0.00 H new ATOM 0 H3 DT B 10 0.550 4.247 6.865 1.00 0.00 H new ATOM 0 H71 DT B 10 5.319 2.468 8.597 1.00 0.00 H new ATOM 0 H72 DT B 10 4.833 1.557 7.147 1.00 0.00 H new ATOM 0 H73 DT B 10 5.123 3.310 7.041 1.00 0.00 H new ATOM 0 H6 DT B 10 3.400 1.774 9.848 1.00 0.00 H new ATOM 202 P DA B 11 -1.559 0.445 12.935 1.00 0.00 P ATOM 203 OP1 DA B 11 -1.608 1.887 13.252 1.00 0.00 O ATOM 204 OP2 DA B 11 -2.428 -0.480 13.695 1.00 0.00 O ATOM 205 O5' DA B 11 -1.936 0.287 11.381 1.00 0.00 O ATOM 206 C5' DA B 11 -2.106 -0.978 10.775 1.00 0.00 C ATOM 207 C4' DA B 11 -2.960 -0.814 9.515 1.00 0.00 C ATOM 208 O4' DA B 11 -2.438 0.190 8.650 1.00 0.00 O ATOM 209 C3' DA B 11 -3.032 -2.121 8.726 1.00 0.00 C ATOM 210 O3' DA B 11 -4.382 -2.327 8.344 1.00 0.00 O ATOM 211 C2' DA B 11 -2.111 -1.800 7.558 1.00 0.00 C ATOM 212 C1' DA B 11 -2.376 -0.316 7.330 1.00 0.00 C ATOM 213 N9 DA B 11 -1.254 0.328 6.621 1.00 0.00 N ATOM 214 C8 DA B 11 0.056 0.285 6.995 1.00 0.00 C ATOM 215 N7 DA B 11 0.871 0.934 6.210 1.00 0.00 N ATOM 216 C5 DA B 11 0.013 1.498 5.267 1.00 0.00 C ATOM 217 C6 DA B 11 0.219 2.366 4.177 1.00 0.00 C ATOM 218 N6 DA B 11 1.421 2.845 3.872 1.00 0.00 N ATOM 219 N1 DA B 11 -0.833 2.793 3.459 1.00 0.00 N ATOM 220 C2 DA B 11 -2.042 2.357 3.806 1.00 0.00 C ATOM 221 N3 DA B 11 -2.374 1.537 4.798 1.00 0.00 N ATOM 222 C4 DA B 11 -1.288 1.142 5.510 1.00 0.00 C ATOM 0 H5' DA B 11 -2.587 -1.667 11.469 1.00 0.00 H new ATOM 0 H5'' DA B 11 -1.137 -1.407 10.520 1.00 0.00 H new ATOM 0 H4' DA B 11 -3.954 -0.522 9.855 1.00 0.00 H new ATOM 0 H3' DA B 11 -2.735 -3.034 9.242 1.00 0.00 H new ATOM 0 H2' DA B 11 -1.066 -1.994 7.800 1.00 0.00 H new ATOM 0 H2'' DA B 11 -2.350 -2.395 6.677 1.00 0.00 H new ATOM 0 H1' DA B 11 -3.267 -0.137 6.728 1.00 0.00 H new ATOM 0 H8 DA B 11 0.393 -0.245 7.873 1.00 0.00 H new ATOM 0 H61 DA B 11 1.533 3.472 3.075 1.00 0.00 H new ATOM 0 H62 DA B 11 2.231 2.586 4.435 1.00 0.00 H new ATOM 0 H2 DA B 11 -2.861 2.717 3.202 1.00 0.00 H new ATOM 223 P DT B 12 -4.866 -3.597 7.481 1.00 0.00 P ATOM 224 OP1 DT B 12 -6.170 -4.053 8.009 1.00 0.00 O ATOM 225 OP2 DT B 12 -3.744 -4.551 7.353 1.00 0.00 O ATOM 226 O5' DT B 12 -5.115 -2.932 6.041 1.00 0.00 O ATOM 227 C5' DT B 12 -6.205 -2.055 5.815 1.00 0.00 C ATOM 228 C4' DT B 12 -6.167 -1.514 4.381 1.00 0.00 C ATOM 229 O4' DT B 12 -4.933 -0.845 4.167 1.00 0.00 O ATOM 230 C3' DT B 12 -6.302 -2.625 3.330 1.00 0.00 C ATOM 231 O3' DT B 12 -7.006 -2.240 2.169 1.00 0.00 O ATOM 232 C2' DT B 12 -4.868 -2.764 2.917 1.00 0.00 C ATOM 233 C1' DT B 12 -4.422 -1.308 2.938 1.00 0.00 C ATOM 234 N1 DT B 12 -2.951 -1.164 2.873 1.00 0.00 N ATOM 235 C2 DT B 12 -2.412 -0.240 1.988 1.00 0.00 C ATOM 236 O2 DT B 12 -3.081 0.455 1.231 1.00 0.00 O ATOM 237 N3 DT B 12 -1.039 -0.134 1.983 1.00 0.00 N ATOM 238 C4 DT B 12 -0.162 -0.827 2.783 1.00 0.00 C ATOM 239 O4 DT B 12 1.040 -0.579 2.721 1.00 0.00 O ATOM 240 C5 DT B 12 -0.794 -1.777 3.680 1.00 0.00 C ATOM 241 C7 DT B 12 0.071 -2.619 4.599 1.00 0.00 C ATOM 242 C6 DT B 12 -2.146 -1.906 3.697 1.00 0.00 C ATOM 0 H5' DT B 12 -6.167 -1.228 6.524 1.00 0.00 H new ATOM 0 H5'' DT B 12 -7.144 -2.580 5.988 1.00 0.00 H new ATOM 0 H4' DT B 12 -7.013 -0.837 4.269 1.00 0.00 H new ATOM 0 H3' DT B 12 -6.827 -3.494 3.728 1.00 0.00 H new ATOM 0 H2' DT B 12 -4.296 -3.381 3.610 1.00 0.00 H new ATOM 0 H2'' DT B 12 -4.764 -3.214 1.930 1.00 0.00 H new ATOM 0 H1' DT B 12 -4.781 -0.746 2.075 1.00 0.00 H new ATOM 0 H3 DT B 12 -0.632 0.525 1.319 1.00 0.00 H new ATOM 0 H71 DT B 12 -0.482 -2.849 5.510 1.00 0.00 H new ATOM 0 H72 DT B 12 0.342 -3.547 4.095 1.00 0.00 H new ATOM 0 H73 DT B 12 0.976 -2.067 4.853 1.00 0.00 H new ATOM 0 H6 DT B 12 -2.598 -2.612 4.378 1.00 0.00 H new ATOM 243 P DA B 13 -8.603 -2.285 2.059 1.00 0.00 P ATOM 244 OP1 DA B 13 -9.197 -1.575 3.212 1.00 0.00 O ATOM 245 OP2 DA B 13 -9.010 -3.677 1.763 1.00 0.00 O ATOM 246 O5' DA B 13 -8.801 -1.397 0.730 1.00 0.00 O ATOM 247 C5' DA B 13 -8.813 0.020 0.780 1.00 0.00 C ATOM 248 C4' DA B 13 -8.106 0.634 -0.437 1.00 0.00 C ATOM 249 O4' DA B 13 -6.709 0.426 -0.323 1.00 0.00 O ATOM 250 C3' DA B 13 -8.569 0.070 -1.787 1.00 0.00 C ATOM 251 O3' DA B 13 -8.999 1.139 -2.617 1.00 0.00 O ATOM 252 C2' DA B 13 -7.337 -0.651 -2.290 1.00 0.00 C ATOM 253 C1' DA B 13 -6.180 0.023 -1.569 1.00 0.00 C ATOM 254 N9 DA B 13 -5.101 -0.934 -1.288 1.00 0.00 N ATOM 255 C8 DA B 13 -5.215 -2.093 -0.573 1.00 0.00 C ATOM 256 N7 DA B 13 -4.076 -2.665 -0.292 1.00 0.00 N ATOM 257 C5 DA B 13 -3.146 -1.806 -0.859 1.00 0.00 C ATOM 258 C6 DA B 13 -1.746 -1.799 -0.868 1.00 0.00 C ATOM 259 N6 DA B 13 -1.040 -2.696 -0.183 1.00 0.00 N ATOM 260 N1 DA B 13 -1.103 -0.856 -1.566 1.00 0.00 N ATOM 261 C2 DA B 13 -1.819 0.055 -2.220 1.00 0.00 C ATOM 262 N3 DA B 13 -3.139 0.191 -2.252 1.00 0.00 N ATOM 263 C4 DA B 13 -3.756 -0.773 -1.520 1.00 0.00 C ATOM 0 H5' DA B 13 -8.324 0.357 1.694 1.00 0.00 H new ATOM 0 H5'' DA B 13 -9.843 0.375 0.821 1.00 0.00 H new ATOM 0 H4' DA B 13 -8.365 1.693 -0.429 1.00 0.00 H new ATOM 0 H3' DA B 13 -9.423 -0.606 -1.748 1.00 0.00 H new ATOM 0 H2' DA B 13 -7.380 -1.716 -2.062 1.00 0.00 H new ATOM 0 H2'' DA B 13 -7.238 -0.560 -3.372 1.00 0.00 H new ATOM 0 H1' DA B 13 -5.777 0.837 -2.172 1.00 0.00 H new ATOM 0 H8 DA B 13 -6.167 -2.501 -0.266 1.00 0.00 H new ATOM 0 H61 DA B 13 -0.021 -2.669 -0.207 1.00 0.00 H new ATOM 0 H62 DA B 13 -1.518 -3.411 0.365 1.00 0.00 H new ATOM 0 H2 DA B 13 -1.256 0.774 -2.797 1.00 0.00 H new ATOM 264 P DT B 14 -9.584 0.918 -4.105 1.00 0.00 P ATOM 265 OP1 DT B 14 -10.298 2.149 -4.512 1.00 0.00 O ATOM 266 OP2 DT B 14 -10.286 -0.383 -4.147 1.00 0.00 O ATOM 267 O5' DT B 14 -8.249 0.799 -4.992 1.00 0.00 O ATOM 268 C5' DT B 14 -7.377 1.902 -5.140 1.00 0.00 C ATOM 269 C4' DT B 14 -6.076 1.490 -5.836 1.00 0.00 C ATOM 270 O4' DT B 14 -5.266 0.628 -5.061 1.00 0.00 O ATOM 271 C3' DT B 14 -6.298 0.823 -7.198 1.00 0.00 C ATOM 272 O3' DT B 14 -5.794 1.698 -8.195 1.00 0.00 O ATOM 273 C2' DT B 14 -5.516 -0.483 -7.044 1.00 0.00 C ATOM 274 C1' DT B 14 -4.492 -0.143 -5.961 1.00 0.00 C ATOM 275 N1 DT B 14 -3.957 -1.314 -5.223 1.00 0.00 N ATOM 276 C2 DT B 14 -2.580 -1.464 -5.056 1.00 0.00 C ATOM 277 O2 DT B 14 -1.745 -0.754 -5.606 1.00 0.00 O ATOM 278 N3 DT B 14 -2.166 -2.489 -4.224 1.00 0.00 N ATOM 279 C4 DT B 14 -2.996 -3.405 -3.610 1.00 0.00 C ATOM 280 O4 DT B 14 -2.513 -4.288 -2.907 1.00 0.00 O ATOM 281 C5 DT B 14 -4.415 -3.177 -3.815 1.00 0.00 C ATOM 282 C7 DT B 14 -5.427 -4.116 -3.188 1.00 0.00 C ATOM 283 C6 DT B 14 -4.836 -2.144 -4.584 1.00 0.00 C ATOM 0 H5' DT B 14 -7.151 2.324 -4.161 1.00 0.00 H new ATOM 0 H5'' DT B 14 -7.870 2.684 -5.718 1.00 0.00 H new ATOM 0 H4' DT B 14 -5.560 2.440 -5.975 1.00 0.00 H new ATOM 0 H3' DT B 14 -7.329 0.621 -7.490 1.00 0.00 H new ATOM 0 H2' DT B 14 -6.162 -1.308 -6.744 1.00 0.00 H new ATOM 0 H2'' DT B 14 -5.035 -0.778 -7.976 1.00 0.00 H new ATOM 0 H1' DT B 14 -3.615 0.335 -6.396 1.00 0.00 H new ATOM 0 H3 DT B 14 -1.165 -2.575 -4.050 1.00 0.00 H new ATOM 0 H71 DT B 14 -6.345 -3.570 -2.973 1.00 0.00 H new ATOM 0 H72 DT B 14 -5.643 -4.931 -3.878 1.00 0.00 H new ATOM 0 H73 DT B 14 -5.021 -4.523 -2.262 1.00 0.00 H new ATOM 0 H6 DT B 14 -5.896 -1.971 -4.695 1.00 0.00 H new ATOM 284 P DA B 15 -5.915 1.385 -9.767 1.00 0.00 P ATOM 285 OP1 DA B 15 -5.735 2.652 -10.511 1.00 0.00 O ATOM 286 OP2 DA B 15 -7.126 0.568 -10.002 1.00 0.00 O ATOM 287 O5' DA B 15 -4.621 0.471 -10.015 1.00 0.00 O ATOM 288 C5' DA B 15 -3.333 1.048 -10.068 1.00 0.00 C ATOM 289 C4' DA B 15 -2.241 -0.020 -10.179 1.00 0.00 C ATOM 290 O4' DA B 15 -2.027 -0.711 -8.958 1.00 0.00 O ATOM 291 C3' DA B 15 -2.515 -1.063 -11.265 1.00 0.00 C ATOM 292 O3' DA B 15 -1.667 -0.792 -12.375 1.00 0.00 O ATOM 293 C2' DA B 15 -2.210 -2.356 -10.537 1.00 0.00 C ATOM 294 C1' DA B 15 -1.450 -1.962 -9.281 1.00 0.00 C ATOM 295 N9 DA B 15 -1.655 -2.936 -8.194 1.00 0.00 N ATOM 296 C8 DA B 15 -2.854 -3.438 -7.795 1.00 0.00 C ATOM 297 N7 DA B 15 -2.788 -4.331 -6.844 1.00 0.00 N ATOM 298 C5 DA B 15 -1.420 -4.404 -6.583 1.00 0.00 C ATOM 299 C6 DA B 15 -0.656 -5.161 -5.676 1.00 0.00 C ATOM 300 N6 DA B 15 -1.209 -6.030 -4.834 1.00 0.00 N ATOM 301 N1 DA B 15 0.674 -4.991 -5.633 1.00 0.00 N ATOM 302 C2 DA B 15 1.224 -4.108 -6.462 1.00 0.00 C ATOM 303 N3 DA B 15 0.628 -3.350 -7.377 1.00 0.00 N ATOM 304 C4 DA B 15 -0.717 -3.543 -7.388 1.00 0.00 C ATOM 0 H5' DA B 15 -3.166 1.649 -9.174 1.00 0.00 H new ATOM 0 H5'' DA B 15 -3.271 1.723 -10.922 1.00 0.00 H new ATOM 0 H4' DA B 15 -1.349 0.547 -10.448 1.00 0.00 H new ATOM 0 H3' DA B 15 -3.520 -1.082 -11.687 1.00 0.00 H new ATOM 0 H2' DA B 15 -3.128 -2.888 -10.287 1.00 0.00 H new ATOM 0 H2'' DA B 15 -1.614 -3.023 -11.160 1.00 0.00 H new ATOM 0 H1' DA B 15 -0.370 -1.925 -9.425 1.00 0.00 H new ATOM 0 H8 DA B 15 -3.790 -3.122 -8.231 1.00 0.00 H new ATOM 0 H61 DA B 15 -0.622 -6.561 -4.191 1.00 0.00 H new ATOM 0 H62 DA B 15 -2.220 -6.165 -4.832 1.00 0.00 H new ATOM 0 H2 DA B 15 2.295 -3.992 -6.381 1.00 0.00 H new ATOM 305 P DC B 16 -1.574 -1.738 -13.681 1.00 0.00 P ATOM 306 OP1 DC B 16 -1.050 -0.925 -14.799 1.00 0.00 O ATOM 307 OP2 DC B 16 -2.855 -2.460 -13.831 1.00 0.00 O ATOM 308 O5' DC B 16 -0.448 -2.807 -13.263 1.00 0.00 O ATOM 309 C5' DC B 16 0.897 -2.417 -13.068 1.00 0.00 C ATOM 310 C4' DC B 16 1.658 -3.530 -12.339 1.00 0.00 C ATOM 311 O4' DC B 16 1.042 -3.845 -11.104 1.00 0.00 O ATOM 312 C3' DC B 16 1.679 -4.855 -13.098 1.00 0.00 C ATOM 313 O3' DC B 16 2.728 -4.910 -14.042 1.00 0.00 O ATOM 314 C2' DC B 16 1.878 -5.875 -11.977 1.00 0.00 C ATOM 315 C1' DC B 16 1.530 -5.110 -10.692 1.00 0.00 C ATOM 316 N1 DC B 16 0.514 -5.828 -9.875 1.00 0.00 N ATOM 317 C2 DC B 16 0.931 -6.592 -8.791 1.00 0.00 C ATOM 318 O2 DC B 16 2.121 -6.734 -8.527 1.00 0.00 O ATOM 319 N3 DC B 16 -0.004 -7.215 -8.018 1.00 0.00 N ATOM 320 C4 DC B 16 -1.303 -7.116 -8.310 1.00 0.00 C ATOM 321 N4 DC B 16 -2.171 -7.694 -7.488 1.00 0.00 N ATOM 322 C5 DC B 16 -1.760 -6.385 -9.449 1.00 0.00 C ATOM 323 C6 DC B 16 -0.815 -5.765 -10.195 1.00 0.00 C ATOM 0 H5' DC B 16 0.938 -1.495 -12.488 1.00 0.00 H new ATOM 0 H5'' DC B 16 1.369 -2.210 -14.029 1.00 0.00 H new ATOM 0 H4' DC B 16 2.666 -3.130 -12.229 1.00 0.00 H new ATOM 0 H3' DC B 16 0.778 -5.024 -13.687 1.00 0.00 H new ATOM 0 H2' DC B 16 1.231 -6.742 -12.110 1.00 0.00 H new ATOM 0 H2'' DC B 16 2.904 -6.244 -11.954 1.00 0.00 H new ATOM 0 HO3' DC B 16 2.707 -5.774 -14.504 1.00 0.00 H new ATOM 0 H1' DC B 16 2.410 -5.013 -10.056 1.00 0.00 H new ATOM 0 H41 DC B 16 -3.171 -7.638 -7.681 1.00 0.00 H new ATOM 0 H42 DC B 16 -1.838 -8.194 -6.664 1.00 0.00 H new ATOM 0 H5 DC B 16 -2.808 -6.329 -9.703 1.00 0.00 H new ATOM 0 H6 DC B 16 -1.119 -5.205 -11.067 1.00 0.00 H new TER 324 DC B 16