USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 286 hydrogens (14 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 23:sc= 0.361 USER MOD Single : A 3 DT C7 :methyl 150:sc= -0.662 (180deg=-0.662) USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 10 DT C7 :methyl 150:sc= -0.858 (180deg=-0.858) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD Single : B 13 DG O5' : rot 180:sc= -0.299 USER MOD Single : B 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -9.186 -21.609 1.947 1.00 0.00 O ATOM 2 C5' DC A 1 -8.759 -21.345 3.287 1.00 0.00 C ATOM 3 C4' DC A 1 -7.299 -20.961 3.325 1.00 0.00 C ATOM 4 O4' DC A 1 -6.612 -21.617 2.241 1.00 0.00 O ATOM 5 C3' DC A 1 -7.016 -19.472 3.131 1.00 0.00 C ATOM 6 O3' DC A 1 -6.883 -18.826 4.403 1.00 0.00 O ATOM 7 C2' DC A 1 -5.693 -19.443 2.376 1.00 0.00 C ATOM 8 C1' DC A 1 -5.443 -20.882 1.933 1.00 0.00 C ATOM 9 N1 DC A 1 -5.179 -21.040 0.492 1.00 0.00 N ATOM 10 C2 DC A 1 -3.883 -21.360 0.074 1.00 0.00 C ATOM 11 O2 DC A 1 -2.990 -21.493 0.925 1.00 0.00 O ATOM 12 N3 DC A 1 -3.634 -21.515 -1.247 1.00 0.00 N ATOM 13 C4 DC A 1 -4.620 -21.357 -2.133 1.00 0.00 C ATOM 14 N4 DC A 1 -4.330 -21.524 -3.425 1.00 0.00 N ATOM 15 C5 DC A 1 -5.947 -21.025 -1.736 1.00 0.00 C ATOM 16 C6 DC A 1 -6.179 -20.879 -0.425 1.00 0.00 C ATOM 0 H5' DC A 1 -8.923 -22.228 3.905 1.00 0.00 H new ATOM 0 H5'' DC A 1 -9.361 -20.542 3.713 1.00 0.00 H new ATOM 0 H4' DC A 1 -6.963 -21.253 4.320 1.00 0.00 H new ATOM 0 H3' DC A 1 -7.813 -18.954 2.598 1.00 0.00 H new ATOM 0 H2' DC A 1 -5.745 -18.772 1.518 1.00 0.00 H new ATOM 0 H2'' DC A 1 -4.885 -19.083 3.013 1.00 0.00 H new ATOM 0 HO5' DC A 1 -8.409 -21.840 1.396 1.00 0.00 H new ATOM 0 H1' DC A 1 -4.549 -21.230 2.451 1.00 0.00 H new ATOM 0 H41 DC A 1 -5.059 -21.411 -4.130 1.00 0.00 H new ATOM 0 H42 DC A 1 -3.380 -21.764 -3.707 1.00 0.00 H new ATOM 0 H5 DC A 1 -6.735 -20.896 -2.463 1.00 0.00 H new ATOM 0 H6 DC A 1 -7.174 -20.630 -0.087 1.00 0.00 H new ATOM 29 P DC A 2 -6.891 -17.219 4.490 1.00 0.00 P ATOM 30 OP1 DC A 2 -7.938 -16.808 5.460 1.00 0.00 O ATOM 31 OP2 DC A 2 -6.928 -16.687 3.103 1.00 0.00 O ATOM 32 O5' DC A 2 -5.468 -16.859 5.109 1.00 0.00 O ATOM 33 C5' DC A 2 -4.760 -17.796 5.923 1.00 0.00 C ATOM 34 C4' DC A 2 -3.291 -17.449 5.961 1.00 0.00 C ATOM 35 O4' DC A 2 -2.601 -18.183 4.920 1.00 0.00 O ATOM 36 C3' DC A 2 -2.967 -15.981 5.695 1.00 0.00 C ATOM 37 O3' DC A 2 -2.938 -15.245 6.922 1.00 0.00 O ATOM 38 C2' DC A 2 -1.591 -16.057 5.065 1.00 0.00 C ATOM 39 C1' DC A 2 -1.701 -17.322 4.230 1.00 0.00 C ATOM 40 N1 DC A 2 -2.228 -17.110 2.871 1.00 0.00 N ATOM 41 C2 DC A 2 -1.333 -17.076 1.799 1.00 0.00 C ATOM 42 O2 DC A 2 -0.123 -17.218 2.023 1.00 0.00 O ATOM 43 N3 DC A 2 -1.810 -16.887 0.546 1.00 0.00 N ATOM 44 C4 DC A 2 -3.120 -16.735 0.348 1.00 0.00 C ATOM 45 N4 DC A 2 -3.546 -16.554 -0.901 1.00 0.00 N ATOM 46 C5 DC A 2 -4.054 -16.762 1.423 1.00 0.00 C ATOM 47 C6 DC A 2 -3.569 -16.950 2.657 1.00 0.00 C ATOM 0 H5' DC A 2 -4.893 -18.804 5.529 1.00 0.00 H new ATOM 0 H5'' DC A 2 -5.168 -17.792 6.934 1.00 0.00 H new ATOM 0 H4' DC A 2 -2.977 -17.698 6.975 1.00 0.00 H new ATOM 0 H3' DC A 2 -3.698 -15.473 5.066 1.00 0.00 H new ATOM 0 H2' DC A 2 -1.372 -15.181 4.454 1.00 0.00 H new ATOM 0 H2'' DC A 2 -0.802 -16.128 5.814 1.00 0.00 H new ATOM 0 H1' DC A 2 -0.697 -17.729 4.108 1.00 0.00 H new ATOM 0 H41 DC A 2 -4.542 -16.434 -1.088 1.00 0.00 H new ATOM 0 H42 DC A 2 -2.877 -16.535 -1.670 1.00 0.00 H new ATOM 0 H5 DC A 2 -5.112 -16.636 1.250 1.00 0.00 H new ATOM 0 H6 DC A 2 -4.248 -16.976 3.497 1.00 0.00 H new ATOM 59 P DT A 3 -3.658 -13.809 7.012 1.00 0.00 P ATOM 60 OP1 DT A 3 -4.381 -13.737 8.307 1.00 0.00 O ATOM 61 OP2 DT A 3 -4.399 -13.579 5.745 1.00 0.00 O ATOM 62 O5' DT A 3 -2.447 -12.776 7.060 1.00 0.00 O ATOM 63 C5' DT A 3 -1.161 -13.169 7.545 1.00 0.00 C ATOM 64 C4' DT A 3 -0.088 -12.775 6.557 1.00 0.00 C ATOM 65 O4' DT A 3 -0.257 -13.530 5.341 1.00 0.00 O ATOM 66 C3' DT A 3 -0.123 -11.317 6.114 1.00 0.00 C ATOM 67 O3' DT A 3 0.663 -10.512 7.000 1.00 0.00 O ATOM 68 C2' DT A 3 0.501 -11.362 4.728 1.00 0.00 C ATOM 69 C1' DT A 3 0.293 -12.800 4.253 1.00 0.00 C ATOM 70 N1 DT A 3 -0.624 -12.933 3.104 1.00 0.00 N ATOM 71 C2 DT A 3 -0.083 -12.894 1.838 1.00 0.00 C ATOM 72 O2 DT A 3 1.109 -12.748 1.628 1.00 0.00 O ATOM 73 N3 DT A 3 -0.991 -13.032 0.824 1.00 0.00 N ATOM 74 C4 DT A 3 -2.355 -13.200 0.942 1.00 0.00 C ATOM 75 O4 DT A 3 -3.044 -13.327 -0.066 1.00 0.00 O ATOM 76 C5 DT A 3 -2.857 -13.224 2.298 1.00 0.00 C ATOM 77 C7 DT A 3 -4.331 -13.356 2.525 1.00 0.00 C ATOM 78 C6 DT A 3 -1.979 -13.093 3.302 1.00 0.00 C ATOM 0 H5' DT A 3 -1.139 -14.247 7.706 1.00 0.00 H new ATOM 0 H5'' DT A 3 -0.968 -12.698 8.509 1.00 0.00 H new ATOM 0 H4' DT A 3 0.847 -12.964 7.085 1.00 0.00 H new ATOM 0 H3' DT A 3 -1.124 -10.885 6.116 1.00 0.00 H new ATOM 0 H2' DT A 3 0.023 -10.650 4.055 1.00 0.00 H new ATOM 0 H2'' DT A 3 1.560 -11.106 4.762 1.00 0.00 H new ATOM 0 H1' DT A 3 1.262 -13.174 3.922 1.00 0.00 H new ATOM 0 H3 DT A 3 -0.618 -13.008 -0.125 1.00 0.00 H new ATOM 0 H71 DT A 3 -4.509 -13.873 3.468 1.00 0.00 H new ATOM 0 H72 DT A 3 -4.783 -12.365 2.563 1.00 0.00 H new ATOM 0 H73 DT A 3 -4.775 -13.926 1.709 1.00 0.00 H new ATOM 0 H6 DT A 3 -2.351 -13.114 4.316 1.00 0.00 H new ATOM 91 P DC A 4 0.506 -8.912 6.979 1.00 0.00 P ATOM 92 OP1 DC A 4 1.017 -8.399 8.275 1.00 0.00 O ATOM 93 OP2 DC A 4 -0.876 -8.573 6.550 1.00 0.00 O ATOM 94 O5' DC A 4 1.508 -8.441 5.833 1.00 0.00 O ATOM 95 C5' DC A 4 2.878 -8.845 5.841 1.00 0.00 C ATOM 96 C4' DC A 4 3.653 -8.088 4.787 1.00 0.00 C ATOM 97 O4' DC A 4 3.140 -8.439 3.479 1.00 0.00 O ATOM 98 C3' DC A 4 3.549 -6.569 4.879 1.00 0.00 C ATOM 99 O3' DC A 4 4.768 -5.960 4.439 1.00 0.00 O ATOM 100 C2' DC A 4 2.406 -6.235 3.937 1.00 0.00 C ATOM 101 C1' DC A 4 2.479 -7.331 2.883 1.00 0.00 C ATOM 102 N1 DC A 4 1.167 -7.799 2.403 1.00 0.00 N ATOM 103 C2 DC A 4 0.949 -7.921 1.026 1.00 0.00 C ATOM 104 O2 DC A 4 1.863 -7.620 0.242 1.00 0.00 O ATOM 105 N3 DC A 4 -0.251 -8.362 0.584 1.00 0.00 N ATOM 106 C4 DC A 4 -1.210 -8.672 1.459 1.00 0.00 C ATOM 107 N4 DC A 4 -2.379 -9.103 0.978 1.00 0.00 N ATOM 108 C5 DC A 4 -1.017 -8.554 2.865 1.00 0.00 C ATOM 109 C6 DC A 4 0.176 -8.118 3.288 1.00 0.00 C ATOM 0 H5' DC A 4 2.949 -9.917 5.655 1.00 0.00 H new ATOM 0 H5'' DC A 4 3.313 -8.662 6.824 1.00 0.00 H new ATOM 0 H4' DC A 4 4.694 -8.369 4.949 1.00 0.00 H new ATOM 0 H3' DC A 4 3.378 -6.209 5.894 1.00 0.00 H new ATOM 0 H2' DC A 4 1.446 -6.239 4.454 1.00 0.00 H new ATOM 0 H2'' DC A 4 2.526 -5.246 3.496 1.00 0.00 H new ATOM 0 H1' DC A 4 2.999 -6.916 2.019 1.00 0.00 H new ATOM 0 H41 DC A 4 -3.134 -9.349 1.618 1.00 0.00 H new ATOM 0 H42 DC A 4 -2.516 -9.186 -0.029 1.00 0.00 H new ATOM 0 H5 DC A 4 -1.802 -8.806 3.562 1.00 0.00 H new ATOM 0 H6 DC A 4 0.358 -8.017 4.348 1.00 0.00 H new ATOM 121 P DT A 5 5.171 -4.500 4.980 1.00 0.00 P ATOM 122 OP1 DT A 5 6.295 -4.654 5.940 1.00 0.00 O ATOM 123 OP2 DT A 5 3.924 -3.819 5.414 1.00 0.00 O ATOM 124 O5' DT A 5 5.712 -3.743 3.686 1.00 0.00 O ATOM 125 C5' DT A 5 6.582 -4.396 2.761 1.00 0.00 C ATOM 126 C4' DT A 5 6.239 -3.991 1.346 1.00 0.00 C ATOM 127 O4' DT A 5 4.886 -4.419 1.060 1.00 0.00 O ATOM 128 C3' DT A 5 6.285 -2.482 1.081 1.00 0.00 C ATOM 129 O3' DT A 5 7.065 -2.210 -0.088 1.00 0.00 O ATOM 130 C2' DT A 5 4.833 -2.091 0.856 1.00 0.00 C ATOM 131 C1' DT A 5 4.182 -3.383 0.407 1.00 0.00 C ATOM 132 N1 DT A 5 2.755 -3.509 0.767 1.00 0.00 N ATOM 133 C2 DT A 5 1.865 -3.895 -0.211 1.00 0.00 C ATOM 134 O2 DT A 5 2.197 -4.131 -1.359 1.00 0.00 O ATOM 135 N3 DT A 5 0.565 -3.992 0.207 1.00 0.00 N ATOM 136 C4 DT A 5 0.075 -3.744 1.472 1.00 0.00 C ATOM 137 O4 DT A 5 -1.123 -3.867 1.696 1.00 0.00 O ATOM 138 C5 DT A 5 1.061 -3.343 2.449 1.00 0.00 C ATOM 139 C7 DT A 5 0.620 -3.069 3.852 1.00 0.00 C ATOM 140 C6 DT A 5 2.339 -3.245 2.056 1.00 0.00 C ATOM 0 H5' DT A 5 6.494 -5.477 2.869 1.00 0.00 H new ATOM 0 H5'' DT A 5 7.618 -4.137 2.980 1.00 0.00 H new ATOM 0 H4' DT A 5 6.994 -4.460 0.715 1.00 0.00 H new ATOM 0 H3' DT A 5 6.740 -1.926 1.900 1.00 0.00 H new ATOM 0 H2' DT A 5 4.375 -1.707 1.768 1.00 0.00 H new ATOM 0 H2'' DT A 5 4.740 -1.311 0.100 1.00 0.00 H new ATOM 0 H1' DT A 5 4.223 -3.420 -0.682 1.00 0.00 H new ATOM 0 H3 DT A 5 -0.117 -4.280 -0.495 1.00 0.00 H new ATOM 0 H71 DT A 5 1.432 -3.303 4.541 1.00 0.00 H new ATOM 0 H72 DT A 5 0.352 -2.017 3.950 1.00 0.00 H new ATOM 0 H73 DT A 5 -0.246 -3.687 4.088 1.00 0.00 H new ATOM 0 H6 DT A 5 3.079 -2.945 2.783 1.00 0.00 H new ATOM 153 P DG A 6 7.714 -0.753 -0.292 1.00 0.00 P ATOM 154 OP1 DG A 6 9.176 -0.853 -0.058 1.00 0.00 O ATOM 155 OP2 DG A 6 6.909 0.212 0.500 1.00 0.00 O ATOM 156 O5' DG A 6 7.469 -0.433 -1.835 1.00 0.00 O ATOM 157 C5' DG A 6 8.181 -1.137 -2.854 1.00 0.00 C ATOM 158 C4' DG A 6 7.375 -1.159 -4.132 1.00 0.00 C ATOM 159 O4' DG A 6 6.224 -2.020 -3.954 1.00 0.00 O ATOM 160 C3' DG A 6 6.797 0.189 -4.554 1.00 0.00 C ATOM 161 O3' DG A 6 7.712 0.903 -5.393 1.00 0.00 O ATOM 162 C2' DG A 6 5.554 -0.219 -5.320 1.00 0.00 C ATOM 163 C1' DG A 6 5.065 -1.400 -4.503 1.00 0.00 C ATOM 164 N9 DG A 6 4.191 -1.012 -3.402 1.00 0.00 N ATOM 165 C8 DG A 6 4.568 -0.426 -2.222 1.00 0.00 C ATOM 166 N7 DG A 6 3.565 -0.154 -1.435 1.00 0.00 N ATOM 167 C5 DG A 6 2.455 -0.617 -2.131 1.00 0.00 C ATOM 168 C6 DG A 6 1.082 -0.609 -1.779 1.00 0.00 C ATOM 169 O6 DG A 6 0.557 -0.199 -0.739 1.00 0.00 O ATOM 170 N1 DG A 6 0.291 -1.153 -2.786 1.00 0.00 N ATOM 171 C2 DG A 6 0.764 -1.655 -3.976 1.00 0.00 C ATOM 172 N2 DG A 6 -0.146 -2.144 -4.833 1.00 0.00 N ATOM 173 N3 DG A 6 2.044 -1.677 -4.309 1.00 0.00 N ATOM 174 C4 DG A 6 2.826 -1.144 -3.349 1.00 0.00 C ATOM 0 H5' DG A 6 8.386 -2.156 -2.527 1.00 0.00 H new ATOM 0 H5'' DG A 6 9.145 -0.659 -3.031 1.00 0.00 H new ATOM 0 H4' DG A 6 8.079 -1.493 -4.894 1.00 0.00 H new ATOM 0 H3' DG A 6 6.594 0.859 -3.719 1.00 0.00 H new ATOM 0 H2' DG A 6 4.817 0.583 -5.362 1.00 0.00 H new ATOM 0 H2'' DG A 6 5.780 -0.498 -6.349 1.00 0.00 H new ATOM 0 H1' DG A 6 4.486 -2.057 -5.152 1.00 0.00 H new ATOM 0 H8 DG A 6 5.596 -0.211 -1.969 1.00 0.00 H new ATOM 0 H1 DG A 6 -0.717 -1.182 -2.630 1.00 0.00 H new ATOM 0 H21 DG A 6 0.152 -2.528 -5.730 1.00 0.00 H new ATOM 0 H22 DG A 6 -1.136 -2.131 -4.588 1.00 0.00 H new ATOM 186 P DG A 7 8.066 2.440 -5.062 1.00 0.00 P ATOM 187 OP1 DG A 7 9.339 2.757 -5.755 1.00 0.00 O ATOM 188 OP2 DG A 7 7.960 2.644 -3.594 1.00 0.00 O ATOM 189 O5' DG A 7 6.903 3.274 -5.762 1.00 0.00 O ATOM 190 C5' DG A 7 6.117 2.700 -6.806 1.00 0.00 C ATOM 191 C4' DG A 7 4.922 3.573 -7.114 1.00 0.00 C ATOM 192 O4' DG A 7 3.797 3.082 -6.346 1.00 0.00 O ATOM 193 C3' DG A 7 5.070 5.054 -6.755 1.00 0.00 C ATOM 194 O3' DG A 7 4.464 5.868 -7.769 1.00 0.00 O ATOM 195 C2' DG A 7 4.326 5.180 -5.438 1.00 0.00 C ATOM 196 C1' DG A 7 3.247 4.124 -5.563 1.00 0.00 C ATOM 197 N9 DG A 7 2.823 3.556 -4.290 1.00 0.00 N ATOM 198 C8 DG A 7 3.609 2.902 -3.375 1.00 0.00 C ATOM 199 N7 DG A 7 2.955 2.533 -2.305 1.00 0.00 N ATOM 200 C5 DG A 7 1.656 2.966 -2.536 1.00 0.00 C ATOM 201 C6 DG A 7 0.490 2.851 -1.734 1.00 0.00 C ATOM 202 O6 DG A 7 0.375 2.345 -0.612 1.00 0.00 O ATOM 203 N1 DG A 7 -0.619 3.411 -2.360 1.00 0.00 N ATOM 204 C2 DG A 7 -0.607 4.013 -3.594 1.00 0.00 C ATOM 205 N2 DG A 7 -1.774 4.501 -4.027 1.00 0.00 N ATOM 206 N3 DG A 7 0.471 4.131 -4.347 1.00 0.00 N ATOM 207 C4 DG A 7 1.558 3.588 -3.761 1.00 0.00 C ATOM 0 H5' DG A 7 5.781 1.706 -6.511 1.00 0.00 H new ATOM 0 H5'' DG A 7 6.726 2.578 -7.702 1.00 0.00 H new ATOM 0 H4' DG A 7 4.799 3.516 -8.196 1.00 0.00 H new ATOM 0 H3' DG A 7 6.107 5.380 -6.679 1.00 0.00 H new ATOM 0 H2' DG A 7 4.978 4.993 -4.585 1.00 0.00 H new ATOM 0 H2'' DG A 7 3.904 6.176 -5.305 1.00 0.00 H new ATOM 0 H1' DG A 7 2.365 4.591 -6.001 1.00 0.00 H new ATOM 0 H8 DG A 7 4.662 2.711 -3.524 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.509 3.371 -1.864 1.00 0.00 H new ATOM 0 H21 DG A 7 -1.829 4.960 -4.936 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.609 4.415 -3.448 1.00 0.00 H new ATOM 219 P DT A 8 4.363 7.462 -7.565 1.00 0.00 P ATOM 220 OP1 DT A 8 4.352 8.079 -8.915 1.00 0.00 O ATOM 221 OP2 DT A 8 5.386 7.884 -6.574 1.00 0.00 O ATOM 222 O5' DT A 8 2.924 7.679 -6.913 1.00 0.00 O ATOM 223 C5' DT A 8 1.775 7.001 -7.425 1.00 0.00 C ATOM 224 C4' DT A 8 0.520 7.788 -7.127 1.00 0.00 C ATOM 225 O4' DT A 8 -0.066 7.273 -5.907 1.00 0.00 O ATOM 226 C3' DT A 8 0.721 9.290 -6.905 1.00 0.00 C ATOM 227 O3' DT A 8 -0.324 10.029 -7.545 1.00 0.00 O ATOM 228 C2' DT A 8 0.645 9.446 -5.395 1.00 0.00 C ATOM 229 C1' DT A 8 -0.297 8.327 -4.991 1.00 0.00 C ATOM 230 N1 DT A 8 -0.082 7.798 -3.629 1.00 0.00 N ATOM 231 C2 DT A 8 -1.188 7.538 -2.851 1.00 0.00 C ATOM 232 O2 DT A 8 -2.330 7.720 -3.232 1.00 0.00 O ATOM 233 N3 DT A 8 -0.905 7.056 -1.601 1.00 0.00 N ATOM 234 C4 DT A 8 0.340 6.818 -1.061 1.00 0.00 C ATOM 235 O4 DT A 8 0.435 6.372 0.078 1.00 0.00 O ATOM 236 C5 DT A 8 1.459 7.116 -1.928 1.00 0.00 C ATOM 237 C7 DT A 8 2.848 6.942 -1.394 1.00 0.00 C ATOM 238 C6 DT A 8 1.198 7.579 -3.162 1.00 0.00 C ATOM 0 H5' DT A 8 1.703 6.008 -6.981 1.00 0.00 H new ATOM 0 H5'' DT A 8 1.877 6.862 -8.501 1.00 0.00 H new ATOM 0 H4' DT A 8 -0.104 7.671 -8.013 1.00 0.00 H new ATOM 0 H3' DT A 8 1.659 9.662 -7.318 1.00 0.00 H new ATOM 0 H2' DT A 8 1.624 9.340 -4.927 1.00 0.00 H new ATOM 0 H2'' DT A 8 0.259 10.424 -5.108 1.00 0.00 H new ATOM 0 H1' DT A 8 -1.311 8.726 -5.001 1.00 0.00 H new ATOM 0 H3 DT A 8 -1.705 6.850 -1.003 1.00 0.00 H new ATOM 0 H71 DT A 8 3.521 6.678 -2.210 1.00 0.00 H new ATOM 0 H72 DT A 8 3.181 7.873 -0.935 1.00 0.00 H new ATOM 0 H73 DT A 8 2.854 6.148 -0.648 1.00 0.00 H new ATOM 0 H6 DT A 8 2.029 7.790 -3.819 1.00 0.00 H new ATOM 251 P DC A 9 -0.311 11.637 -7.500 1.00 0.00 P ATOM 252 OP1 DC A 9 -0.842 12.118 -8.802 1.00 0.00 O ATOM 253 OP2 DC A 9 1.025 12.091 -7.040 1.00 0.00 O ATOM 254 O5' DC A 9 -1.374 11.996 -6.367 1.00 0.00 O ATOM 255 C5' DC A 9 -2.754 11.656 -6.520 1.00 0.00 C ATOM 256 C4' DC A 9 -3.500 11.898 -5.228 1.00 0.00 C ATOM 257 O4' DC A 9 -3.069 10.944 -4.237 1.00 0.00 O ATOM 258 C3' DC A 9 -3.263 13.256 -4.576 1.00 0.00 C ATOM 259 O3' DC A 9 -4.193 14.223 -5.081 1.00 0.00 O ATOM 260 C2' DC A 9 -3.525 12.980 -3.102 1.00 0.00 C ATOM 261 C1' DC A 9 -3.350 11.468 -2.948 1.00 0.00 C ATOM 262 N1 DC A 9 -2.254 11.068 -2.048 1.00 0.00 N ATOM 263 C2 DC A 9 -2.573 10.573 -0.781 1.00 0.00 C ATOM 264 O2 DC A 9 -3.764 10.496 -0.451 1.00 0.00 O ATOM 265 N3 DC A 9 -1.576 10.191 0.051 1.00 0.00 N ATOM 266 C4 DC A 9 -0.305 10.289 -0.342 1.00 0.00 C ATOM 267 N4 DC A 9 0.642 9.901 0.514 1.00 0.00 N ATOM 268 C5 DC A 9 0.051 10.791 -1.628 1.00 0.00 C ATOM 269 C6 DC A 9 -0.948 11.172 -2.439 1.00 0.00 C ATOM 0 H5' DC A 9 -2.848 10.610 -6.812 1.00 0.00 H new ATOM 0 H5'' DC A 9 -3.196 12.251 -7.320 1.00 0.00 H new ATOM 0 H4' DC A 9 -4.549 11.822 -5.516 1.00 0.00 H new ATOM 0 H3' DC A 9 -2.269 13.660 -4.768 1.00 0.00 H new ATOM 0 H2' DC A 9 -2.826 13.525 -2.468 1.00 0.00 H new ATOM 0 H2'' DC A 9 -4.528 13.293 -2.814 1.00 0.00 H new ATOM 0 H1' DC A 9 -4.269 11.082 -2.506 1.00 0.00 H new ATOM 0 H41 DC A 9 1.625 9.961 0.249 1.00 0.00 H new ATOM 0 H42 DC A 9 0.383 9.544 1.434 1.00 0.00 H new ATOM 0 H5 DC A 9 1.083 10.862 -1.937 1.00 0.00 H new ATOM 0 H6 DC A 9 -0.716 11.567 -3.417 1.00 0.00 H new ATOM 281 P DT A 10 -3.837 15.791 -5.008 1.00 0.00 P ATOM 282 OP1 DT A 10 -4.474 16.444 -6.179 1.00 0.00 O ATOM 283 OP2 DT A 10 -2.374 15.939 -4.791 1.00 0.00 O ATOM 284 O5' DT A 10 -4.582 16.297 -3.693 1.00 0.00 O ATOM 285 C5' DT A 10 -6.000 16.183 -3.558 1.00 0.00 C ATOM 286 C4' DT A 10 -6.436 16.670 -2.196 1.00 0.00 C ATOM 287 O4' DT A 10 -5.831 15.819 -1.196 1.00 0.00 O ATOM 288 C3' DT A 10 -6.036 18.109 -1.861 1.00 0.00 C ATOM 289 O3' DT A 10 -7.191 18.844 -1.440 1.00 0.00 O ATOM 290 C2' DT A 10 -5.035 17.993 -0.720 1.00 0.00 C ATOM 291 C1' DT A 10 -5.137 16.568 -0.217 1.00 0.00 C ATOM 292 N1 DT A 10 -3.838 15.904 0.010 1.00 0.00 N ATOM 293 C2 DT A 10 -3.597 15.362 1.250 1.00 0.00 C ATOM 294 O2 DT A 10 -4.393 15.425 2.169 1.00 0.00 O ATOM 295 N3 DT A 10 -2.384 14.741 1.376 1.00 0.00 N ATOM 296 C4 DT A 10 -1.408 14.610 0.411 1.00 0.00 C ATOM 297 O4 DT A 10 -0.369 14.011 0.673 1.00 0.00 O ATOM 298 C5 DT A 10 -1.722 15.210 -0.867 1.00 0.00 C ATOM 299 C7 DT A 10 -0.731 15.095 -1.983 1.00 0.00 C ATOM 300 C6 DT A 10 -2.906 15.823 -1.006 1.00 0.00 C ATOM 0 H5' DT A 10 -6.303 15.145 -3.695 1.00 0.00 H new ATOM 0 H5'' DT A 10 -6.494 16.765 -4.336 1.00 0.00 H new ATOM 0 H4' DT A 10 -7.525 16.637 -2.206 1.00 0.00 H new ATOM 0 H3' DT A 10 -5.610 18.632 -2.717 1.00 0.00 H new ATOM 0 H2' DT A 10 -4.024 18.214 -1.064 1.00 0.00 H new ATOM 0 H2'' DT A 10 -5.264 18.704 0.074 1.00 0.00 H new ATOM 0 H1' DT A 10 -5.643 16.611 0.748 1.00 0.00 H new ATOM 0 H3 DT A 10 -2.179 14.329 2.286 1.00 0.00 H new ATOM 0 H71 DT A 10 -1.257 15.088 -2.938 1.00 0.00 H new ATOM 0 H72 DT A 10 -0.047 15.943 -1.951 1.00 0.00 H new ATOM 0 H73 DT A 10 -0.166 14.169 -1.874 1.00 0.00 H new ATOM 0 H6 DT A 10 -3.142 16.275 -1.958 1.00 0.00 H new ATOM 313 P DC A 11 -7.135 20.449 -1.373 1.00 0.00 P ATOM 314 OP1 DC A 11 -8.499 20.929 -1.033 1.00 0.00 O ATOM 315 OP2 DC A 11 -6.466 20.949 -2.601 1.00 0.00 O ATOM 316 O5' DC A 11 -6.181 20.744 -0.131 1.00 0.00 O ATOM 317 C5' DC A 11 -6.535 20.319 1.186 1.00 0.00 C ATOM 318 C4' DC A 11 -5.417 20.634 2.152 1.00 0.00 C ATOM 319 O4' DC A 11 -4.511 19.518 2.253 1.00 0.00 O ATOM 320 C3' DC A 11 -4.523 21.799 1.747 1.00 0.00 C ATOM 321 O3' DC A 11 -5.085 23.040 2.195 1.00 0.00 O ATOM 322 C2' DC A 11 -3.219 21.498 2.473 1.00 0.00 C ATOM 323 C1' DC A 11 -3.292 20.002 2.796 1.00 0.00 C ATOM 324 N1 DC A 11 -2.191 19.207 2.226 1.00 0.00 N ATOM 325 C2 DC A 11 -1.476 18.344 3.064 1.00 0.00 C ATOM 326 O2 DC A 11 -1.794 18.266 4.259 1.00 0.00 O ATOM 327 N3 DC A 11 -0.456 17.618 2.552 1.00 0.00 N ATOM 328 C4 DC A 11 -0.144 17.726 1.260 1.00 0.00 C ATOM 329 N4 DC A 11 0.883 16.994 0.812 1.00 0.00 N ATOM 330 C5 DC A 11 -0.862 18.593 0.378 1.00 0.00 C ATOM 331 C6 DC A 11 -1.867 19.308 0.902 1.00 0.00 C ATOM 0 H5' DC A 11 -6.737 19.248 1.189 1.00 0.00 H new ATOM 0 H5'' DC A 11 -7.451 20.817 1.503 1.00 0.00 H new ATOM 0 H4' DC A 11 -5.943 20.875 3.076 1.00 0.00 H new ATOM 0 H3' DC A 11 -4.398 21.898 0.669 1.00 0.00 H new ATOM 0 H2' DC A 11 -2.356 21.727 1.848 1.00 0.00 H new ATOM 0 H2'' DC A 11 -3.123 22.095 3.380 1.00 0.00 H new ATOM 0 H1' DC A 11 -3.222 19.896 3.879 1.00 0.00 H new ATOM 0 H41 DC A 11 1.156 17.046 -0.169 1.00 0.00 H new ATOM 0 H42 DC A 11 1.392 16.385 1.452 1.00 0.00 H new ATOM 0 H5 DC A 11 -0.605 18.668 -0.668 1.00 0.00 H new ATOM 0 H6 DC A 11 -2.431 19.976 0.267 1.00 0.00 H new ATOM 343 P DC A 12 -5.335 24.231 1.143 1.00 0.00 P ATOM 344 OP1 DC A 12 -6.798 24.469 1.054 1.00 0.00 O ATOM 345 OP2 DC A 12 -4.566 23.923 -0.091 1.00 0.00 O ATOM 346 O5' DC A 12 -4.663 25.505 1.825 1.00 0.00 O ATOM 347 C5' DC A 12 -4.806 25.757 3.224 1.00 0.00 C ATOM 348 C4' DC A 12 -3.452 26.004 3.849 1.00 0.00 C ATOM 349 O4' DC A 12 -2.752 24.751 3.951 1.00 0.00 O ATOM 350 C3' DC A 12 -2.527 26.915 3.045 1.00 0.00 C ATOM 351 O3' DC A 12 -2.623 28.262 3.513 1.00 0.00 O ATOM 352 C2' DC A 12 -1.135 26.361 3.316 1.00 0.00 C ATOM 353 C1' DC A 12 -1.358 24.995 3.964 1.00 0.00 C ATOM 354 N1 DC A 12 -0.703 23.872 3.274 1.00 0.00 N ATOM 355 C2 DC A 12 0.047 22.964 4.027 1.00 0.00 C ATOM 356 O2 DC A 12 0.144 23.136 5.250 1.00 0.00 O ATOM 357 N3 DC A 12 0.648 21.924 3.404 1.00 0.00 N ATOM 358 C4 DC A 12 0.520 21.775 2.085 1.00 0.00 C ATOM 359 N4 DC A 12 1.130 20.738 1.510 1.00 0.00 N ATOM 360 C5 DC A 12 -0.238 22.684 1.293 1.00 0.00 C ATOM 361 C6 DC A 12 -0.826 23.710 1.922 1.00 0.00 C ATOM 0 H5' DC A 12 -5.288 24.907 3.707 1.00 0.00 H new ATOM 0 H5'' DC A 12 -5.451 26.621 3.382 1.00 0.00 H new ATOM 0 H4' DC A 12 -3.668 26.485 4.803 1.00 0.00 H new ATOM 0 H3' DC A 12 -2.775 26.933 1.984 1.00 0.00 H new ATOM 0 H2' DC A 12 -0.563 26.269 2.393 1.00 0.00 H new ATOM 0 H2'' DC A 12 -0.572 27.021 3.976 1.00 0.00 H new ATOM 0 HO3' DC A 12 -2.023 28.834 2.990 1.00 0.00 H new ATOM 0 H1' DC A 12 -0.922 25.041 4.962 1.00 0.00 H new ATOM 0 H41 DC A 12 1.052 20.595 0.503 1.00 0.00 H new ATOM 0 H42 DC A 12 1.674 20.088 2.077 1.00 0.00 H new ATOM 0 H5 DC A 12 -0.335 22.551 0.226 1.00 0.00 H new ATOM 0 H6 DC A 12 -1.406 24.421 1.352 1.00 0.00 H new TER 374 DC A 12 ATOM 375 O5' DG B 13 8.682 17.274 5.923 1.00 0.00 O ATOM 376 C5' DG B 13 8.660 18.049 7.127 1.00 0.00 C ATOM 377 C4' DG B 13 7.745 17.435 8.160 1.00 0.00 C ATOM 378 O4' DG B 13 6.433 18.039 8.037 1.00 0.00 O ATOM 379 C3' DG B 13 7.523 15.928 8.014 1.00 0.00 C ATOM 380 O3' DG B 13 8.374 15.204 8.908 1.00 0.00 O ATOM 381 C2' DG B 13 6.067 15.753 8.401 1.00 0.00 C ATOM 382 C1' DG B 13 5.447 17.031 7.876 1.00 0.00 C ATOM 383 N9 DG B 13 5.078 16.986 6.465 1.00 0.00 N ATOM 384 C8 DG B 13 5.446 16.039 5.542 1.00 0.00 C ATOM 385 N7 DG B 13 4.977 16.274 4.348 1.00 0.00 N ATOM 386 C5 DG B 13 4.248 17.447 4.493 1.00 0.00 C ATOM 387 C6 DG B 13 3.509 18.191 3.541 1.00 0.00 C ATOM 388 O6 DG B 13 3.344 17.954 2.340 1.00 0.00 O ATOM 389 N1 DG B 13 2.925 19.318 4.111 1.00 0.00 N ATOM 390 C2 DG B 13 3.037 19.680 5.438 1.00 0.00 C ATOM 391 N2 DG B 13 2.410 20.806 5.826 1.00 0.00 N ATOM 392 N3 DG B 13 3.720 18.989 6.333 1.00 0.00 N ATOM 393 C4 DG B 13 4.297 17.896 5.796 1.00 0.00 C ATOM 0 H5' DG B 13 8.330 19.063 6.903 1.00 0.00 H new ATOM 0 H5'' DG B 13 9.669 18.125 7.532 1.00 0.00 H new ATOM 0 H4' DG B 13 8.237 17.614 9.116 1.00 0.00 H new ATOM 0 H3' DG B 13 7.749 15.556 7.015 1.00 0.00 H new ATOM 0 H2' DG B 13 5.626 14.867 7.943 1.00 0.00 H new ATOM 0 H2'' DG B 13 5.941 15.651 9.479 1.00 0.00 H new ATOM 0 HO5' DG B 13 9.281 17.697 5.273 1.00 0.00 H new ATOM 0 H1' DG B 13 4.523 17.210 8.426 1.00 0.00 H new ATOM 0 H8 DG B 13 6.062 15.185 5.781 1.00 0.00 H new ATOM 0 H1 DG B 13 2.373 19.922 3.502 1.00 0.00 H new ATOM 0 H21 DG B 13 2.466 21.112 6.797 1.00 0.00 H new ATOM 0 H22 DG B 13 1.879 21.353 5.149 1.00 0.00 H new ATOM 406 P DG B 14 8.656 13.643 8.649 1.00 0.00 P ATOM 407 OP1 DG B 14 9.434 13.135 9.808 1.00 0.00 O ATOM 408 OP2 DG B 14 9.203 13.490 7.275 1.00 0.00 O ATOM 409 O5' DG B 14 7.209 12.975 8.688 1.00 0.00 O ATOM 410 C5' DG B 14 6.435 12.968 9.890 1.00 0.00 C ATOM 411 C4' DG B 14 4.969 12.775 9.574 1.00 0.00 C ATOM 412 O4' DG B 14 4.674 13.336 8.270 1.00 0.00 O ATOM 413 C3' DG B 14 4.510 11.312 9.522 1.00 0.00 C ATOM 414 O3' DG B 14 3.402 11.114 10.407 1.00 0.00 O ATOM 415 C2' DG B 14 4.082 11.103 8.077 1.00 0.00 C ATOM 416 C1' DG B 14 3.732 12.504 7.630 1.00 0.00 C ATOM 417 N9 DG B 14 3.824 12.728 6.190 1.00 0.00 N ATOM 418 C8 DG B 14 4.697 12.123 5.320 1.00 0.00 C ATOM 419 N7 DG B 14 4.545 12.512 4.084 1.00 0.00 N ATOM 420 C5 DG B 14 3.505 13.431 4.139 1.00 0.00 C ATOM 421 C6 DG B 14 2.890 14.184 3.106 1.00 0.00 C ATOM 422 O6 DG B 14 3.148 14.191 1.897 1.00 0.00 O ATOM 423 N1 DG B 14 1.874 14.993 3.599 1.00 0.00 N ATOM 424 C2 DG B 14 1.497 15.072 4.916 1.00 0.00 C ATOM 425 N2 DG B 14 0.502 15.926 5.191 1.00 0.00 N ATOM 426 N3 DG B 14 2.057 14.372 5.890 1.00 0.00 N ATOM 427 C4 DG B 14 3.049 13.577 5.432 1.00 0.00 C ATOM 0 H5' DG B 14 6.577 13.906 10.427 1.00 0.00 H new ATOM 0 H5'' DG B 14 6.780 12.170 10.547 1.00 0.00 H new ATOM 0 H4' DG B 14 4.443 13.270 10.390 1.00 0.00 H new ATOM 0 H3' DG B 14 5.289 10.614 9.829 1.00 0.00 H new ATOM 0 H2' DG B 14 4.883 10.674 7.475 1.00 0.00 H new ATOM 0 H2'' DG B 14 3.229 10.428 8.000 1.00 0.00 H new ATOM 0 H1' DG B 14 2.691 12.702 7.886 1.00 0.00 H new ATOM 0 H8 DG B 14 5.436 11.398 5.628 1.00 0.00 H new ATOM 0 H1 DG B 14 1.369 15.574 2.930 1.00 0.00 H new ATOM 0 H21 DG B 14 0.173 16.033 6.150 1.00 0.00 H new ATOM 0 H22 DG B 14 0.074 16.469 4.441 1.00 0.00 H new ATOM 439 P DA B 15 3.063 9.638 10.949 1.00 0.00 P ATOM 440 OP1 DA B 15 3.419 9.577 12.389 1.00 0.00 O ATOM 441 OP2 DA B 15 3.661 8.661 10.003 1.00 0.00 O ATOM 442 O5' DA B 15 1.479 9.536 10.821 1.00 0.00 O ATOM 443 C5' DA B 15 0.638 10.640 11.164 1.00 0.00 C ATOM 444 C4' DA B 15 -0.631 10.603 10.344 1.00 0.00 C ATOM 445 O4' DA B 15 -0.451 11.405 9.159 1.00 0.00 O ATOM 446 C3' DA B 15 -1.026 9.224 9.829 1.00 0.00 C ATOM 447 O3' DA B 15 -1.892 8.578 10.770 1.00 0.00 O ATOM 448 C2' DA B 15 -1.768 9.527 8.537 1.00 0.00 C ATOM 449 C1' DA B 15 -1.281 10.913 8.120 1.00 0.00 C ATOM 450 N9 DA B 15 -0.501 10.922 6.883 1.00 0.00 N ATOM 451 C8 DA B 15 0.718 10.337 6.652 1.00 0.00 C ATOM 452 N7 DA B 15 1.171 10.520 5.436 1.00 0.00 N ATOM 453 C5 DA B 15 0.181 11.274 4.822 1.00 0.00 C ATOM 454 C6 DA B 15 0.055 11.791 3.521 1.00 0.00 C ATOM 455 N6 DA B 15 0.967 11.619 2.563 1.00 0.00 N ATOM 456 N1 DA B 15 -1.060 12.500 3.233 1.00 0.00 N ATOM 457 C2 DA B 15 -1.979 12.666 4.193 1.00 0.00 C ATOM 458 N3 DA B 15 -1.975 12.225 5.448 1.00 0.00 N ATOM 459 C4 DA B 15 -0.855 11.528 5.702 1.00 0.00 C ATOM 0 H5' DA B 15 1.166 11.577 10.988 1.00 0.00 H new ATOM 0 H5'' DA B 15 0.395 10.605 12.226 1.00 0.00 H new ATOM 0 H4' DA B 15 -1.406 10.959 11.022 1.00 0.00 H new ATOM 0 H3' DA B 15 -0.176 8.558 9.681 1.00 0.00 H new ATOM 0 H2' DA B 15 -1.547 8.784 7.771 1.00 0.00 H new ATOM 0 H2'' DA B 15 -2.847 9.517 8.689 1.00 0.00 H new ATOM 0 H1' DA B 15 -2.165 11.526 7.943 1.00 0.00 H new ATOM 0 H8 DA B 15 1.255 9.777 7.403 1.00 0.00 H new ATOM 0 H61 DA B 15 0.816 12.020 1.637 1.00 0.00 H new ATOM 0 H62 DA B 15 1.815 11.086 2.756 1.00 0.00 H new ATOM 0 H2 DA B 15 -2.848 13.240 3.907 1.00 0.00 H new ATOM 471 P DG B 16 -1.871 6.975 10.910 1.00 0.00 P ATOM 472 OP1 DG B 16 -2.076 6.634 12.341 1.00 0.00 O ATOM 473 OP2 DG B 16 -0.671 6.461 10.200 1.00 0.00 O ATOM 474 O5' DG B 16 -3.157 6.500 10.097 1.00 0.00 O ATOM 475 C5' DG B 16 -4.290 7.357 9.944 1.00 0.00 C ATOM 476 C4' DG B 16 -4.906 7.170 8.577 1.00 0.00 C ATOM 477 O4' DG B 16 -3.994 7.687 7.576 1.00 0.00 O ATOM 478 C3' DG B 16 -5.184 5.715 8.190 1.00 0.00 C ATOM 479 O3' DG B 16 -6.479 5.600 7.591 1.00 0.00 O ATOM 480 C2' DG B 16 -4.099 5.395 7.175 1.00 0.00 C ATOM 481 C1' DG B 16 -3.869 6.744 6.530 1.00 0.00 C ATOM 482 N9 DG B 16 -2.557 6.918 5.913 1.00 0.00 N ATOM 483 C8 DG B 16 -1.332 6.651 6.473 1.00 0.00 C ATOM 484 N7 DG B 16 -0.333 6.900 5.670 1.00 0.00 N ATOM 485 C5 DG B 16 -0.937 7.362 4.507 1.00 0.00 C ATOM 486 C6 DG B 16 -0.364 7.785 3.279 1.00 0.00 C ATOM 487 O6 DG B 16 0.829 7.840 2.960 1.00 0.00 O ATOM 488 N1 DG B 16 -1.340 8.173 2.367 1.00 0.00 N ATOM 489 C2 DG B 16 -2.695 8.156 2.605 1.00 0.00 C ATOM 490 N2 DG B 16 -3.490 8.569 1.608 1.00 0.00 N ATOM 491 N3 DG B 16 -3.238 7.762 3.743 1.00 0.00 N ATOM 492 C4 DG B 16 -2.309 7.381 4.643 1.00 0.00 C ATOM 0 H5' DG B 16 -3.989 8.396 10.076 1.00 0.00 H new ATOM 0 H5'' DG B 16 -5.028 7.138 10.716 1.00 0.00 H new ATOM 0 H4' DG B 16 -5.861 7.694 8.620 1.00 0.00 H new ATOM 0 H3' DG B 16 -5.175 5.039 9.045 1.00 0.00 H new ATOM 0 H2' DG B 16 -3.196 5.010 7.649 1.00 0.00 H new ATOM 0 H2'' DG B 16 -4.424 4.646 6.452 1.00 0.00 H new ATOM 0 H1' DG B 16 -4.587 6.859 5.718 1.00 0.00 H new ATOM 0 H8 DG B 16 -1.207 6.273 7.477 1.00 0.00 H new ATOM 0 H1 DG B 16 -1.027 8.495 1.451 1.00 0.00 H new ATOM 0 H21 DG B 16 -4.502 8.576 1.733 1.00 0.00 H new ATOM 0 H22 DG B 16 -3.083 8.876 0.725 1.00 0.00 H new ATOM 504 P DA B 17 -7.231 4.179 7.574 1.00 0.00 P ATOM 505 OP1 DA B 17 -8.384 4.253 8.505 1.00 0.00 O ATOM 506 OP2 DA B 17 -6.205 3.120 7.759 1.00 0.00 O ATOM 507 O5' DA B 17 -7.794 4.058 6.088 1.00 0.00 O ATOM 508 C5' DA B 17 -8.494 5.144 5.477 1.00 0.00 C ATOM 509 C4' DA B 17 -8.469 5.004 3.972 1.00 0.00 C ATOM 510 O4' DA B 17 -7.157 5.391 3.493 1.00 0.00 O ATOM 511 C3' DA B 17 -8.717 3.586 3.448 1.00 0.00 C ATOM 512 O3' DA B 17 -9.663 3.619 2.373 1.00 0.00 O ATOM 513 C2' DA B 17 -7.356 3.131 2.950 1.00 0.00 C ATOM 514 C1' DA B 17 -6.689 4.433 2.565 1.00 0.00 C ATOM 515 N9 DA B 17 -5.228 4.412 2.637 1.00 0.00 N ATOM 516 C8 DA B 17 -4.448 4.060 3.710 1.00 0.00 C ATOM 517 N7 DA B 17 -3.161 4.128 3.472 1.00 0.00 N ATOM 518 C5 DA B 17 -3.087 4.555 2.153 1.00 0.00 C ATOM 519 C6 DA B 17 -1.999 4.820 1.306 1.00 0.00 C ATOM 520 N6 DA B 17 -0.724 4.690 1.677 1.00 0.00 N ATOM 521 N1 DA B 17 -2.267 5.227 0.046 1.00 0.00 N ATOM 522 C2 DA B 17 -3.548 5.361 -0.324 1.00 0.00 C ATOM 523 N3 DA B 17 -4.657 5.144 0.383 1.00 0.00 N ATOM 524 C4 DA B 17 -4.353 4.736 1.627 1.00 0.00 C ATOM 0 H5' DA B 17 -8.037 6.090 5.769 1.00 0.00 H new ATOM 0 H5'' DA B 17 -9.525 5.165 5.830 1.00 0.00 H new ATOM 0 H4' DA B 17 -9.281 5.636 3.611 1.00 0.00 H new ATOM 0 H3' DA B 17 -9.126 2.918 4.206 1.00 0.00 H new ATOM 0 H2' DA B 17 -6.798 2.603 3.723 1.00 0.00 H new ATOM 0 H2'' DA B 17 -7.442 2.453 2.100 1.00 0.00 H new ATOM 0 H1' DA B 17 -6.935 4.647 1.525 1.00 0.00 H new ATOM 0 H8 DA B 17 -4.857 3.755 4.662 1.00 0.00 H new ATOM 0 H61 DA B 17 0.024 4.898 1.015 1.00 0.00 H new ATOM 0 H62 DA B 17 -0.497 4.383 2.623 1.00 0.00 H new ATOM 0 H2 DA B 17 -3.704 5.692 -1.340 1.00 0.00 H new ATOM 536 P DC B 18 -10.151 2.244 1.692 1.00 0.00 P ATOM 537 OP1 DC B 18 -11.564 2.416 1.266 1.00 0.00 O ATOM 538 OP2 DC B 18 -9.791 1.126 2.601 1.00 0.00 O ATOM 539 O5' DC B 18 -9.245 2.121 0.387 1.00 0.00 O ATOM 540 C5' DC B 18 -9.007 3.254 -0.451 1.00 0.00 C ATOM 541 C4' DC B 18 -8.015 2.907 -1.537 1.00 0.00 C ATOM 542 O4' DC B 18 -6.684 3.246 -1.102 1.00 0.00 O ATOM 543 C3' DC B 18 -7.923 1.430 -1.906 1.00 0.00 C ATOM 544 O3' DC B 18 -8.878 1.105 -2.923 1.00 0.00 O ATOM 545 C2' DC B 18 -6.505 1.296 -2.441 1.00 0.00 C ATOM 546 C1' DC B 18 -5.761 2.521 -1.899 1.00 0.00 C ATOM 547 N1 DC B 18 -4.591 2.194 -1.067 1.00 0.00 N ATOM 548 C2 DC B 18 -3.317 2.265 -1.640 1.00 0.00 C ATOM 549 O2 DC B 18 -3.208 2.629 -2.819 1.00 0.00 O ATOM 550 N3 DC B 18 -2.238 1.936 -0.895 1.00 0.00 N ATOM 551 C4 DC B 18 -2.394 1.557 0.374 1.00 0.00 C ATOM 552 N4 DC B 18 -1.300 1.249 1.072 1.00 0.00 N ATOM 553 C5 DC B 18 -3.679 1.482 0.987 1.00 0.00 C ATOM 554 C6 DC B 18 -4.740 1.810 0.238 1.00 0.00 C ATOM 0 H5' DC B 18 -8.627 4.083 0.146 1.00 0.00 H new ATOM 0 H5'' DC B 18 -9.944 3.587 -0.898 1.00 0.00 H new ATOM 0 H4' DC B 18 -8.378 3.465 -2.400 1.00 0.00 H new ATOM 0 H3' DC B 18 -8.132 0.763 -1.070 1.00 0.00 H new ATOM 0 H2' DC B 18 -6.041 0.370 -2.102 1.00 0.00 H new ATOM 0 H2'' DC B 18 -6.494 1.278 -3.531 1.00 0.00 H new ATOM 0 H1' DC B 18 -5.384 3.085 -2.752 1.00 0.00 H new ATOM 0 H41 DC B 18 -1.382 0.955 2.045 1.00 0.00 H new ATOM 0 H42 DC B 18 -0.381 1.307 0.632 1.00 0.00 H new ATOM 0 H5 DC B 18 -3.793 1.173 2.016 1.00 0.00 H new ATOM 0 H6 DC B 18 -5.729 1.771 0.671 1.00 0.00 H new ATOM 566 P DC B 19 -9.462 -0.391 -3.019 1.00 0.00 P ATOM 567 OP1 DC B 19 -10.440 -0.413 -4.136 1.00 0.00 O ATOM 568 OP2 DC B 19 -9.889 -0.816 -1.661 1.00 0.00 O ATOM 569 O5' DC B 19 -8.201 -1.272 -3.439 1.00 0.00 O ATOM 570 C5' DC B 19 -7.798 -1.377 -4.806 1.00 0.00 C ATOM 571 C4' DC B 19 -6.829 -2.523 -4.980 1.00 0.00 C ATOM 572 O4' DC B 19 -5.496 -2.069 -4.675 1.00 0.00 O ATOM 573 C3' DC B 19 -7.055 -3.718 -4.060 1.00 0.00 C ATOM 574 O3' DC B 19 -7.953 -4.647 -4.677 1.00 0.00 O ATOM 575 C2' DC B 19 -5.663 -4.315 -3.915 1.00 0.00 C ATOM 576 C1' DC B 19 -4.705 -3.170 -4.249 1.00 0.00 C ATOM 577 N1 DC B 19 -3.877 -2.715 -3.120 1.00 0.00 N ATOM 578 C2 DC B 19 -2.486 -2.804 -3.225 1.00 0.00 C ATOM 579 O2 DC B 19 -1.990 -3.285 -4.254 1.00 0.00 O ATOM 580 N3 DC B 19 -1.716 -2.365 -2.204 1.00 0.00 N ATOM 581 C4 DC B 19 -2.287 -1.862 -1.108 1.00 0.00 C ATOM 582 N4 DC B 19 -1.488 -1.443 -0.125 1.00 0.00 N ATOM 583 C5 DC B 19 -3.703 -1.766 -0.970 1.00 0.00 C ATOM 584 C6 DC B 19 -4.452 -2.202 -1.990 1.00 0.00 C ATOM 0 H5' DC B 19 -7.332 -0.446 -5.127 1.00 0.00 H new ATOM 0 H5'' DC B 19 -8.672 -1.531 -5.439 1.00 0.00 H new ATOM 0 H4' DC B 19 -6.979 -2.844 -6.011 1.00 0.00 H new ATOM 0 H3' DC B 19 -7.500 -3.455 -3.101 1.00 0.00 H new ATOM 0 H2' DC B 19 -5.496 -4.687 -2.904 1.00 0.00 H new ATOM 0 H2'' DC B 19 -5.522 -5.158 -4.592 1.00 0.00 H new ATOM 0 H1' DC B 19 -4.017 -3.542 -5.009 1.00 0.00 H new ATOM 0 H41 DC B 19 -1.890 -1.053 0.727 1.00 0.00 H new ATOM 0 H42 DC B 19 -0.475 -1.513 -0.226 1.00 0.00 H new ATOM 0 H5 DC B 19 -4.153 -1.358 -0.077 1.00 0.00 H new ATOM 0 H6 DC B 19 -5.528 -2.148 -1.920 1.00 0.00 H new ATOM 596 P DA B 20 -8.160 -6.109 -4.037 1.00 0.00 P ATOM 597 OP1 DA B 20 -9.510 -6.581 -4.440 1.00 0.00 O ATOM 598 OP2 DA B 20 -7.803 -6.053 -2.596 1.00 0.00 O ATOM 599 O5' DA B 20 -7.081 -7.013 -4.786 1.00 0.00 O ATOM 600 C5' DA B 20 -6.927 -6.950 -6.206 1.00 0.00 C ATOM 601 C4' DA B 20 -5.544 -7.411 -6.606 1.00 0.00 C ATOM 602 O4' DA B 20 -4.569 -6.808 -5.721 1.00 0.00 O ATOM 603 C3' DA B 20 -5.312 -8.919 -6.515 1.00 0.00 C ATOM 604 O3' DA B 20 -4.421 -9.345 -7.554 1.00 0.00 O ATOM 605 C2' DA B 20 -4.675 -9.093 -5.149 1.00 0.00 C ATOM 606 C1' DA B 20 -3.887 -7.807 -4.976 1.00 0.00 C ATOM 607 N9 DA B 20 -3.791 -7.343 -3.592 1.00 0.00 N ATOM 608 C8 DA B 20 -4.813 -7.220 -2.684 1.00 0.00 C ATOM 609 N7 DA B 20 -4.431 -6.769 -1.515 1.00 0.00 N ATOM 610 C5 DA B 20 -3.063 -6.584 -1.661 1.00 0.00 C ATOM 611 C6 DA B 20 -2.074 -6.125 -0.777 1.00 0.00 C ATOM 612 N6 DA B 20 -2.325 -5.744 0.476 1.00 0.00 N ATOM 613 N1 DA B 20 -0.803 -6.065 -1.229 1.00 0.00 N ATOM 614 C2 DA B 20 -0.555 -6.438 -2.492 1.00 0.00 C ATOM 615 N3 DA B 20 -1.402 -6.882 -3.420 1.00 0.00 N ATOM 616 C4 DA B 20 -2.655 -6.935 -2.934 1.00 0.00 C ATOM 0 H5' DA B 20 -7.091 -5.929 -6.551 1.00 0.00 H new ATOM 0 H5'' DA B 20 -7.679 -7.574 -6.688 1.00 0.00 H new ATOM 0 H4' DA B 20 -5.444 -7.115 -7.650 1.00 0.00 H new ATOM 0 H3' DA B 20 -6.222 -9.507 -6.634 1.00 0.00 H new ATOM 0 H2' DA B 20 -5.424 -9.216 -4.367 1.00 0.00 H new ATOM 0 H2'' DA B 20 -4.029 -9.970 -5.113 1.00 0.00 H new ATOM 0 H1' DA B 20 -2.868 -7.996 -5.312 1.00 0.00 H new ATOM 0 H8 DA B 20 -5.838 -7.472 -2.912 1.00 0.00 H new ATOM 0 H61 DA B 20 -1.564 -5.419 1.072 1.00 0.00 H new ATOM 0 H62 DA B 20 -3.278 -5.778 0.838 1.00 0.00 H new ATOM 0 H2 DA B 20 0.477 -6.369 -2.802 1.00 0.00 H new ATOM 628 P DG B 21 -4.305 -10.907 -7.920 1.00 0.00 P ATOM 629 OP1 DG B 21 -4.956 -11.125 -9.236 1.00 0.00 O ATOM 630 OP2 DG B 21 -4.757 -11.689 -6.740 1.00 0.00 O ATOM 631 O5' DG B 21 -2.739 -11.144 -8.094 1.00 0.00 O ATOM 632 C5' DG B 21 -1.988 -10.415 -9.068 1.00 0.00 C ATOM 633 C4' DG B 21 -0.522 -10.416 -8.705 1.00 0.00 C ATOM 634 O4' DG B 21 -0.307 -9.504 -7.601 1.00 0.00 O ATOM 635 C3' DG B 21 0.020 -11.763 -8.234 1.00 0.00 C ATOM 636 O3' DG B 21 0.575 -12.487 -9.338 1.00 0.00 O ATOM 637 C2' DG B 21 1.101 -11.366 -7.246 1.00 0.00 C ATOM 638 C1' DG B 21 0.529 -10.105 -6.619 1.00 0.00 C ATOM 639 N9 DG B 21 -0.278 -10.333 -5.425 1.00 0.00 N ATOM 640 C8 DG B 21 -1.562 -10.818 -5.371 1.00 0.00 C ATOM 641 N7 DG B 21 -2.031 -10.899 -4.157 1.00 0.00 N ATOM 642 C5 DG B 21 -0.992 -10.444 -3.357 1.00 0.00 C ATOM 643 C6 DG B 21 -0.911 -10.304 -1.949 1.00 0.00 C ATOM 644 O6 DG B 21 -1.769 -10.564 -1.099 1.00 0.00 O ATOM 645 N1 DG B 21 0.326 -9.808 -1.554 1.00 0.00 N ATOM 646 C2 DG B 21 1.354 -9.489 -2.404 1.00 0.00 C ATOM 647 N2 DG B 21 2.469 -9.027 -1.828 1.00 0.00 N ATOM 648 N3 DG B 21 1.294 -9.615 -3.719 1.00 0.00 N ATOM 649 C4 DG B 21 0.099 -10.094 -4.124 1.00 0.00 C ATOM 0 H5' DG B 21 -2.354 -9.390 -9.128 1.00 0.00 H new ATOM 0 H5'' DG B 21 -2.126 -10.861 -10.053 1.00 0.00 H new ATOM 0 H4' DG B 21 -0.005 -10.137 -9.624 1.00 0.00 H new ATOM 0 H3' DG B 21 -0.738 -12.413 -7.798 1.00 0.00 H new ATOM 0 H2' DG B 21 1.277 -12.144 -6.503 1.00 0.00 H new ATOM 0 H2'' DG B 21 2.053 -11.177 -7.741 1.00 0.00 H new ATOM 0 H1' DG B 21 1.369 -9.485 -6.306 1.00 0.00 H new ATOM 0 H8 DG B 21 -2.127 -11.104 -6.246 1.00 0.00 H new ATOM 0 H1 DG B 21 0.481 -9.671 -0.555 1.00 0.00 H new ATOM 0 H21 DG B 21 3.272 -8.771 -2.403 1.00 0.00 H new ATOM 0 H22 DG B 21 2.517 -8.931 -0.814 1.00 0.00 H new ATOM 661 P DA B 22 0.510 -14.093 -9.355 1.00 0.00 P ATOM 662 OP1 DA B 22 0.695 -14.527 -10.763 1.00 0.00 O ATOM 663 OP2 DA B 22 -0.696 -14.531 -8.605 1.00 0.00 O ATOM 664 O5' DA B 22 1.798 -14.538 -8.529 1.00 0.00 O ATOM 665 C5' DA B 22 3.027 -13.819 -8.642 1.00 0.00 C ATOM 666 C4' DA B 22 3.881 -14.050 -7.418 1.00 0.00 C ATOM 667 O4' DA B 22 3.370 -13.267 -6.314 1.00 0.00 O ATOM 668 C3' DA B 22 3.891 -15.485 -6.907 1.00 0.00 C ATOM 669 O3' DA B 22 4.917 -16.236 -7.563 1.00 0.00 O ATOM 670 C2' DA B 22 4.201 -15.305 -5.433 1.00 0.00 C ATOM 671 C1' DA B 22 3.488 -14.000 -5.098 1.00 0.00 C ATOM 672 N9 DA B 22 2.145 -14.171 -4.544 1.00 0.00 N ATOM 673 C8 DA B 22 0.970 -14.373 -5.227 1.00 0.00 C ATOM 674 N7 DA B 22 -0.081 -14.483 -4.449 1.00 0.00 N ATOM 675 C5 DA B 22 0.438 -14.345 -3.168 1.00 0.00 C ATOM 676 C6 DA B 22 -0.164 -14.365 -1.897 1.00 0.00 C ATOM 677 N6 DA B 22 -1.472 -14.543 -1.698 1.00 0.00 N ATOM 678 N1 DA B 22 0.636 -14.195 -0.821 1.00 0.00 N ATOM 679 C2 DA B 22 1.950 -14.023 -1.021 1.00 0.00 C ATOM 680 N3 DA B 22 2.631 -13.988 -2.165 1.00 0.00 N ATOM 681 C4 DA B 22 1.807 -14.155 -3.213 1.00 0.00 C ATOM 0 H5' DA B 22 2.824 -12.754 -8.757 1.00 0.00 H new ATOM 0 H5'' DA B 22 3.564 -14.140 -9.535 1.00 0.00 H new ATOM 0 H4' DA B 22 4.887 -13.777 -7.736 1.00 0.00 H new ATOM 0 H3' DA B 22 2.963 -16.028 -7.087 1.00 0.00 H new ATOM 0 H2' DA B 22 3.826 -16.136 -4.836 1.00 0.00 H new ATOM 0 H2'' DA B 22 5.273 -15.239 -5.250 1.00 0.00 H new ATOM 0 H1' DA B 22 4.076 -13.494 -4.332 1.00 0.00 H new ATOM 0 H8 DA B 22 0.916 -14.435 -6.304 1.00 0.00 H new ATOM 0 H61 DA B 22 -1.848 -14.547 -0.750 1.00 0.00 H new ATOM 0 H62 DA B 22 -2.096 -14.675 -2.494 1.00 0.00 H new ATOM 0 H2 DA B 22 2.541 -13.894 -0.126 1.00 0.00 H new ATOM 693 P DG B 23 4.563 -17.651 -8.243 1.00 0.00 P ATOM 694 OP1 DG B 23 5.273 -17.700 -9.547 1.00 0.00 O ATOM 695 OP2 DG B 23 3.092 -17.858 -8.201 1.00 0.00 O ATOM 696 O5' DG B 23 5.243 -18.718 -7.276 1.00 0.00 O ATOM 697 C5' DG B 23 6.453 -18.412 -6.580 1.00 0.00 C ATOM 698 C4' DG B 23 6.294 -18.702 -5.106 1.00 0.00 C ATOM 699 O4' DG B 23 5.235 -17.887 -4.568 1.00 0.00 O ATOM 700 C3' DG B 23 5.885 -20.130 -4.765 1.00 0.00 C ATOM 701 O3' DG B 23 7.046 -20.956 -4.618 1.00 0.00 O ATOM 702 C2' DG B 23 5.161 -19.976 -3.437 1.00 0.00 C ATOM 703 C1' DG B 23 4.738 -18.505 -3.393 1.00 0.00 C ATOM 704 N9 DG B 23 3.294 -18.299 -3.352 1.00 0.00 N ATOM 705 C8 DG B 23 2.443 -18.140 -4.420 1.00 0.00 C ATOM 706 N7 DG B 23 1.197 -17.985 -4.067 1.00 0.00 N ATOM 707 C5 DG B 23 1.225 -18.044 -2.680 1.00 0.00 C ATOM 708 C6 DG B 23 0.174 -17.942 -1.732 1.00 0.00 C ATOM 709 O6 DG B 23 -1.033 -17.770 -1.937 1.00 0.00 O ATOM 710 N1 DG B 23 0.644 -18.059 -0.429 1.00 0.00 N ATOM 711 C2 DG B 23 1.965 -18.248 -0.079 1.00 0.00 C ATOM 712 N2 DG B 23 2.245 -18.337 1.231 1.00 0.00 N ATOM 713 N3 DG B 23 2.950 -18.341 -0.953 1.00 0.00 N ATOM 714 C4 DG B 23 2.512 -18.233 -2.224 1.00 0.00 C ATOM 0 H5' DG B 23 6.710 -17.363 -6.726 1.00 0.00 H new ATOM 0 H5'' DG B 23 7.275 -19.001 -6.988 1.00 0.00 H new ATOM 0 H4' DG B 23 7.282 -18.505 -4.690 1.00 0.00 H new ATOM 0 H3' DG B 23 5.270 -20.601 -5.532 1.00 0.00 H new ATOM 0 H2' DG B 23 4.297 -20.638 -3.378 1.00 0.00 H new ATOM 0 H2'' DG B 23 5.812 -20.226 -2.600 1.00 0.00 H new ATOM 0 H1' DG B 23 5.140 -18.080 -2.473 1.00 0.00 H new ATOM 0 H8 DG B 23 2.773 -18.143 -5.448 1.00 0.00 H new ATOM 0 H1 DG B 23 -0.040 -18.001 0.326 1.00 0.00 H new ATOM 0 H21 DG B 23 3.207 -18.477 1.538 1.00 0.00 H new ATOM 0 H22 DG B 23 1.495 -18.265 1.919 1.00 0.00 H new ATOM 726 P DG B 24 6.981 -22.510 -5.025 1.00 0.00 P ATOM 727 OP1 DG B 24 8.366 -22.971 -5.303 1.00 0.00 O ATOM 728 OP2 DG B 24 5.934 -22.670 -6.067 1.00 0.00 O ATOM 729 O5' DG B 24 6.473 -23.236 -3.701 1.00 0.00 O ATOM 730 C5' DG B 24 7.131 -23.032 -2.450 1.00 0.00 C ATOM 731 C4' DG B 24 6.614 -24.009 -1.419 1.00 0.00 C ATOM 732 O4' DG B 24 5.355 -23.529 -0.897 1.00 0.00 O ATOM 733 C3' DG B 24 6.315 -25.410 -1.943 1.00 0.00 C ATOM 734 O3' DG B 24 7.474 -26.244 -1.865 1.00 0.00 O ATOM 735 C2' DG B 24 5.238 -25.899 -0.993 1.00 0.00 C ATOM 736 C1' DG B 24 4.487 -24.623 -0.623 1.00 0.00 C ATOM 737 N9 DG B 24 3.252 -24.413 -1.372 1.00 0.00 N ATOM 738 C8 DG B 24 3.074 -24.531 -2.730 1.00 0.00 C ATOM 739 N7 DG B 24 1.851 -24.287 -3.112 1.00 0.00 N ATOM 740 C5 DG B 24 1.179 -23.986 -1.935 1.00 0.00 C ATOM 741 C6 DG B 24 -0.178 -23.635 -1.714 1.00 0.00 C ATOM 742 O6 DG B 24 -1.088 -23.516 -2.543 1.00 0.00 O ATOM 743 N1 DG B 24 -0.437 -23.412 -0.365 1.00 0.00 N ATOM 744 C2 DG B 24 0.489 -23.512 0.639 1.00 0.00 C ATOM 745 N2 DG B 24 0.042 -23.258 1.872 1.00 0.00 N ATOM 746 N3 DG B 24 1.756 -23.837 0.451 1.00 0.00 N ATOM 747 C4 DG B 24 2.030 -24.059 -0.852 1.00 0.00 C ATOM 0 H5' DG B 24 6.966 -22.010 -2.107 1.00 0.00 H new ATOM 0 H5'' DG B 24 8.207 -23.158 -2.573 1.00 0.00 H new ATOM 0 H4' DG B 24 7.416 -24.075 -0.684 1.00 0.00 H new ATOM 0 H3' DG B 24 6.012 -25.423 -2.990 1.00 0.00 H new ATOM 0 H2' DG B 24 4.582 -26.627 -1.470 1.00 0.00 H new ATOM 0 H2'' DG B 24 5.666 -26.382 -0.115 1.00 0.00 H new ATOM 0 HO3' DG B 24 7.258 -27.137 -2.205 1.00 0.00 H new ATOM 0 H1' DG B 24 4.204 -24.708 0.426 1.00 0.00 H new ATOM 0 H8 DG B 24 3.867 -24.799 -3.412 1.00 0.00 H new ATOM 0 H1 DG B 24 -1.389 -23.154 -0.104 1.00 0.00 H new ATOM 0 H21 DG B 24 0.679 -23.314 2.667 1.00 0.00 H new ATOM 0 H22 DG B 24 -0.936 -23.008 2.018 1.00 0.00 H new TER 760 DG B 24 HETATM 761 PT 1PT A 13 3.640 1.683 -0.614 1.00 0.00 PT HETATM 762 N1 1PT A 13 3.771 3.496 0.279 1.00 0.00 N HETATM 763 N2 1PT A 13 4.345 0.946 1.138 1.00 0.00 N HETATM 764 C1 1PT A 13 3.929 3.278 1.797 1.00 0.00 C HETATM 765 C2 1PT A 13 4.892 2.118 1.980 1.00 0.00 C HETATM 766 C3 1PT A 13 5.048 1.775 3.424 1.00 0.00 C HETATM 767 C4 1PT A 13 5.606 3.000 4.235 1.00 0.00 C HETATM 768 C5 1PT A 13 4.594 4.226 3.987 1.00 0.00 C HETATM 769 C6 1PT A 13 4.416 4.505 2.513 1.00 0.00 C HETATM 0 H62 1PT A 13 5.363 4.832 2.083 1.00 0.00 H new HETATM 0 H61 1PT A 13 3.705 5.319 2.375 1.00 0.00 H new HETATM 0 H52 1PT A 13 3.627 3.998 4.435 1.00 0.00 H new HETATM 0 H51 1PT A 13 4.973 5.119 4.485 1.00 0.00 H new HETATM 0 H42 1PT A 13 5.672 2.762 5.297 1.00 0.00 H new HETATM 0 H41 1PT A 13 6.612 3.257 3.903 1.00 0.00 H new HETATM 0 H32 1PT A 13 4.086 1.470 3.835 1.00 0.00 H new HETATM 0 H31 1PT A 13 5.724 0.926 3.529 1.00 0.00 H new HETATM 0 H2 1PT A 13 5.895 2.374 1.638 1.00 0.00 H new HETATM 0 H1 1PT A 13 2.957 3.057 2.237 1.00 0.00 H new