USER MOD reduce.3.24.130724 H: found=0, std=0, add=189, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 190 hydrogens (52 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 NoAdj-H: A 13 HEH H18 : A 13 HEH C18 : A 4 DG N7 :(H bumps) USER MOD Single : A 1 DA O5' : rot 180:sc= 0 USER MOD Single : A 6 DT C7 :methyl 150:sc=-0.00102 (180deg=-0.00102) USER MOD Single : A 6 DT O3' : rot 180:sc= 0 USER MOD Single : A 13 HEH O11 : rot -160:sc= -0.778! USER MOD Single : A 13 HEH O3E : rot -103:sc= -1.89! USER MOD Single : A 13 HEH O3F : rot 29:sc= 0.157 USER MOD Single : B 7 DA O5' : rot 180:sc= 0 USER MOD Single : B 12 DT C7 :methyl 150:sc= -0.484 (180deg=-0.484) USER MOD Single : B 12 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 13.136 -9.880 -4.816 1.00 0.00 O ATOM 2 C5' DA A 1 11.829 -9.407 -5.072 1.00 0.00 C ATOM 3 C4' DA A 1 11.552 -8.022 -4.466 1.00 0.00 C ATOM 4 O4' DA A 1 10.530 -7.420 -5.223 1.00 0.00 O ATOM 5 C3' DA A 1 11.024 -8.035 -3.020 1.00 0.00 C ATOM 6 O3' DA A 1 12.027 -7.477 -2.168 1.00 0.00 O ATOM 7 C2' DA A 1 9.736 -7.202 -3.084 1.00 0.00 C ATOM 8 C1' DA A 1 9.830 -6.495 -4.432 1.00 0.00 C ATOM 9 N9 DA A 1 8.546 -6.238 -5.101 1.00 0.00 N ATOM 10 C8 DA A 1 7.544 -7.090 -5.393 1.00 0.00 C ATOM 11 N7 DA A 1 6.538 -6.524 -6.088 1.00 0.00 N ATOM 12 C5 DA A 1 6.919 -5.206 -6.261 1.00 0.00 C ATOM 13 C6 DA A 1 6.375 -4.121 -6.875 1.00 0.00 C ATOM 14 N6 DA A 1 5.188 -4.199 -7.508 1.00 0.00 N ATOM 15 N1 DA A 1 7.010 -2.940 -6.879 1.00 0.00 N ATOM 16 C2 DA A 1 8.199 -2.837 -6.263 1.00 0.00 C ATOM 17 N3 DA A 1 8.808 -3.844 -5.640 1.00 0.00 N ATOM 18 C4 DA A 1 8.169 -5.023 -5.642 1.00 0.00 C ATOM 0 H5' DA A 1 11.108 -10.121 -4.674 1.00 0.00 H new ATOM 0 H5'' DA A 1 11.671 -9.362 -6.150 1.00 0.00 H new ATOM 0 H4' DA A 1 12.510 -7.503 -4.474 1.00 0.00 H new ATOM 0 H3' DA A 1 10.808 -9.024 -2.616 1.00 0.00 H new ATOM 0 H2' DA A 1 8.848 -7.832 -3.023 1.00 0.00 H new ATOM 0 H2'' DA A 1 9.679 -6.489 -2.261 1.00 0.00 H new ATOM 0 HO5' DA A 1 13.250 -10.764 -5.224 1.00 0.00 H new ATOM 0 H1' DA A 1 10.282 -5.513 -4.293 1.00 0.00 H new ATOM 0 H8 DA A 1 7.547 -8.129 -5.098 1.00 0.00 H new ATOM 0 H61 DA A 1 4.797 -3.374 -7.962 1.00 0.00 H new ATOM 0 H62 DA A 1 4.680 -5.083 -7.533 1.00 0.00 H new ATOM 0 H2 DA A 1 8.693 -1.876 -6.274 1.00 0.00 H new ATOM 31 P DC A 2 11.686 -6.854 -0.766 1.00 0.00 P ATOM 32 OP1 DC A 2 12.980 -6.880 0.085 1.00 0.00 O ATOM 33 OP2 DC A 2 10.563 -7.690 -0.100 1.00 0.00 O ATOM 34 O5' DC A 2 11.211 -5.370 -0.865 1.00 0.00 O ATOM 35 C5' DC A 2 11.901 -4.497 -1.752 1.00 0.00 C ATOM 36 C4' DC A 2 11.103 -3.211 -1.948 1.00 0.00 C ATOM 37 O4' DC A 2 9.881 -3.496 -2.590 1.00 0.00 O ATOM 38 C3' DC A 2 10.710 -2.486 -0.652 1.00 0.00 C ATOM 39 O3' DC A 2 11.263 -1.173 -0.699 1.00 0.00 O ATOM 40 C2' DC A 2 9.192 -2.389 -0.722 1.00 0.00 C ATOM 41 C1' DC A 2 8.936 -2.518 -2.219 1.00 0.00 C ATOM 42 N1 DC A 2 7.603 -3.006 -2.628 1.00 0.00 N ATOM 43 C2 DC A 2 6.745 -2.148 -3.296 1.00 0.00 C ATOM 44 O2 DC A 2 6.975 -0.962 -3.502 1.00 0.00 O ATOM 45 N3 DC A 2 5.556 -2.704 -3.717 1.00 0.00 N ATOM 46 C4 DC A 2 5.231 -3.965 -3.503 1.00 0.00 C ATOM 47 N4 DC A 2 4.053 -4.404 -3.964 1.00 0.00 N ATOM 48 C5 DC A 2 6.082 -4.815 -2.827 1.00 0.00 C ATOM 49 C6 DC A 2 7.290 -4.282 -2.397 1.00 0.00 C ATOM 0 H5' DC A 2 12.055 -4.989 -2.713 1.00 0.00 H new ATOM 0 H5'' DC A 2 12.888 -4.264 -1.352 1.00 0.00 H new ATOM 0 H4' DC A 2 11.772 -2.572 -2.524 1.00 0.00 H new ATOM 0 H3' DC A 2 11.056 -2.988 0.251 1.00 0.00 H new ATOM 0 H2' DC A 2 8.706 -3.183 -0.155 1.00 0.00 H new ATOM 0 H2'' DC A 2 8.825 -1.443 -0.325 1.00 0.00 H new ATOM 0 H1' DC A 2 9.003 -1.534 -2.682 1.00 0.00 H new ATOM 0 H41 DC A 2 3.776 -5.374 -3.813 1.00 0.00 H new ATOM 0 H42 DC A 2 3.433 -3.768 -4.466 1.00 0.00 H new ATOM 0 H5 DC A 2 5.821 -5.846 -2.641 1.00 0.00 H new ATOM 0 H6 DC A 2 7.989 -4.912 -1.866 1.00 0.00 H new ATOM 61 P DC A 3 11.556 -0.361 0.609 1.00 0.00 P ATOM 62 OP1 DC A 3 12.729 0.605 0.303 1.00 0.00 O ATOM 63 OP2 DC A 3 11.914 -1.320 1.773 1.00 0.00 O ATOM 64 O5' DC A 3 10.327 0.503 1.044 1.00 0.00 O ATOM 65 C5' DC A 3 9.813 1.470 0.132 1.00 0.00 C ATOM 66 C4' DC A 3 8.395 1.922 0.517 1.00 0.00 C ATOM 67 O4' DC A 3 7.441 1.415 -0.389 1.00 0.00 O ATOM 68 C3' DC A 3 7.862 1.453 1.869 1.00 0.00 C ATOM 69 O3' DC A 3 8.299 2.336 2.899 1.00 0.00 O ATOM 70 C2' DC A 3 6.348 1.517 1.683 1.00 0.00 C ATOM 71 C1' DC A 3 6.142 1.575 0.153 1.00 0.00 C ATOM 72 N1 DC A 3 5.307 0.477 -0.391 1.00 0.00 N ATOM 73 C2 DC A 3 4.072 0.744 -0.974 1.00 0.00 C ATOM 74 O2 DC A 3 3.616 1.862 -1.155 1.00 0.00 O ATOM 75 N3 DC A 3 3.345 -0.349 -1.389 1.00 0.00 N ATOM 76 C4 DC A 3 3.779 -1.587 -1.248 1.00 0.00 C ATOM 77 N4 DC A 3 2.977 -2.588 -1.627 1.00 0.00 N ATOM 78 C5 DC A 3 5.011 -1.854 -0.681 1.00 0.00 C ATOM 79 C6 DC A 3 5.762 -0.767 -0.259 1.00 0.00 C ATOM 0 H5' DC A 3 9.800 1.050 -0.874 1.00 0.00 H new ATOM 0 H5'' DC A 3 10.476 2.335 0.108 1.00 0.00 H new ATOM 0 H4' DC A 3 8.511 3.006 0.526 1.00 0.00 H new ATOM 0 H3' DC A 3 8.206 0.461 2.161 1.00 0.00 H new ATOM 0 H2' DC A 3 5.859 0.644 2.115 1.00 0.00 H new ATOM 0 H2'' DC A 3 5.926 2.394 2.173 1.00 0.00 H new ATOM 0 H1' DC A 3 5.633 2.506 -0.099 1.00 0.00 H new ATOM 0 H41 DC A 3 3.287 -3.555 -1.529 1.00 0.00 H new ATOM 0 H42 DC A 3 2.055 -2.385 -2.014 1.00 0.00 H new ATOM 0 H5 DC A 3 5.373 -2.866 -0.571 1.00 0.00 H new ATOM 0 H6 DC A 3 6.733 -0.933 0.184 1.00 0.00 H new ATOM 91 P DG A 4 8.305 1.892 4.407 1.00 0.00 P ATOM 92 OP1 DG A 4 9.393 2.724 5.132 1.00 0.00 O ATOM 93 OP2 DG A 4 8.594 0.374 4.527 1.00 0.00 O ATOM 94 O5' DG A 4 6.945 2.198 5.119 1.00 0.00 O ATOM 95 C5' DG A 4 6.308 3.446 4.857 1.00 0.00 C ATOM 96 C4' DG A 4 4.786 3.284 4.886 1.00 0.00 C ATOM 97 O4' DG A 4 4.394 1.995 4.448 1.00 0.00 O ATOM 98 C3' DG A 4 4.175 3.444 6.290 1.00 0.00 C ATOM 99 O3' DG A 4 3.573 4.740 6.405 1.00 0.00 O ATOM 100 C2' DG A 4 3.206 2.272 6.397 1.00 0.00 C ATOM 101 C1' DG A 4 3.103 1.769 4.972 1.00 0.00 C ATOM 102 N9 DG A 4 2.764 0.344 5.001 1.00 0.00 N ATOM 103 C8 DG A 4 3.455 -0.688 5.501 1.00 0.00 C ATOM 104 N7 DG A 4 2.832 -1.875 5.384 1.00 0.00 N ATOM 105 C5 DG A 4 1.615 -1.577 4.753 1.00 0.00 C ATOM 106 C6 DG A 4 0.478 -2.356 4.324 1.00 0.00 C ATOM 107 O6 DG A 4 0.285 -3.560 4.426 1.00 0.00 O ATOM 108 N1 DG A 4 -0.510 -1.579 3.710 1.00 0.00 N ATOM 109 C2 DG A 4 -0.439 -0.262 3.534 1.00 0.00 C ATOM 110 N2 DG A 4 -1.439 0.403 2.936 1.00 0.00 N ATOM 111 N3 DG A 4 0.585 0.475 3.919 1.00 0.00 N ATOM 112 C4 DG A 4 1.590 -0.182 4.515 1.00 0.00 C ATOM 0 H5' DG A 4 6.621 3.824 3.884 1.00 0.00 H new ATOM 0 H5'' DG A 4 6.616 4.182 5.600 1.00 0.00 H new ATOM 0 H4' DG A 4 4.424 4.074 4.227 1.00 0.00 H new ATOM 0 H3' DG A 4 4.888 3.410 7.114 1.00 0.00 H new ATOM 0 H2' DG A 4 3.582 1.500 7.069 1.00 0.00 H new ATOM 0 H2'' DG A 4 2.236 2.587 6.783 1.00 0.00 H new ATOM 0 H1' DG A 4 2.337 2.259 4.371 1.00 0.00 H new ATOM 0 H8 DG A 4 4.427 -0.577 5.958 1.00 0.00 H new ATOM 0 H1 DG A 4 -1.346 -2.057 3.373 1.00 0.00 H new ATOM 0 H21 DG A 4 -1.374 1.413 2.806 1.00 0.00 H new ATOM 0 H22 DG A 4 -2.264 -0.101 2.611 1.00 0.00 H new ATOM 124 P DG A 5 2.165 4.982 7.062 1.00 0.00 P ATOM 125 OP1 DG A 5 1.989 6.506 7.278 1.00 0.00 O ATOM 126 OP2 DG A 5 2.098 4.225 8.415 1.00 0.00 O ATOM 127 O5' DG A 5 0.999 4.472 6.150 1.00 0.00 O ATOM 128 C5' DG A 5 0.809 5.068 4.868 1.00 0.00 C ATOM 129 C4' DG A 5 -0.678 5.338 4.618 1.00 0.00 C ATOM 130 O4' DG A 5 -1.304 4.095 4.373 1.00 0.00 O ATOM 131 C3' DG A 5 -1.427 5.970 5.794 1.00 0.00 C ATOM 132 O3' DG A 5 -2.415 6.847 5.253 1.00 0.00 O ATOM 133 C2' DG A 5 -2.064 4.766 6.481 1.00 0.00 C ATOM 134 C1' DG A 5 -2.295 3.786 5.331 1.00 0.00 C ATOM 135 N9 DG A 5 -2.132 2.374 5.721 1.00 0.00 N ATOM 136 C8 DG A 5 -1.107 1.784 6.373 1.00 0.00 C ATOM 137 N7 DG A 5 -1.258 0.456 6.536 1.00 0.00 N ATOM 138 C5 DG A 5 -2.469 0.156 5.936 1.00 0.00 C ATOM 139 C6 DG A 5 -3.171 -1.075 5.728 1.00 0.00 C ATOM 140 O6 DG A 5 -2.843 -2.209 6.056 1.00 0.00 O ATOM 141 N1 DG A 5 -4.355 -0.916 5.025 1.00 0.00 N ATOM 142 C2 DG A 5 -4.818 0.240 4.575 1.00 0.00 C ATOM 143 N2 DG A 5 -5.959 0.247 3.864 1.00 0.00 N ATOM 144 N3 DG A 5 -4.195 1.401 4.754 1.00 0.00 N ATOM 145 C4 DG A 5 -3.027 1.353 5.427 1.00 0.00 C ATOM 0 H5' DG A 5 1.201 4.410 4.093 1.00 0.00 H new ATOM 0 H5'' DG A 5 1.369 6.001 4.807 1.00 0.00 H new ATOM 0 H4' DG A 5 -0.720 6.043 3.787 1.00 0.00 H new ATOM 0 H3' DG A 5 -0.814 6.551 6.483 1.00 0.00 H new ATOM 0 H2' DG A 5 -1.409 4.344 7.243 1.00 0.00 H new ATOM 0 H2'' DG A 5 -2.998 5.033 6.976 1.00 0.00 H new ATOM 0 H1' DG A 5 -3.319 3.890 4.971 1.00 0.00 H new ATOM 0 H8 DG A 5 -0.245 2.328 6.731 1.00 0.00 H new ATOM 0 H1 DG A 5 -4.911 -1.751 4.841 1.00 0.00 H new ATOM 0 H21 DG A 5 -6.333 1.127 3.508 1.00 0.00 H new ATOM 0 H22 DG A 5 -6.451 -0.628 3.680 1.00 0.00 H new ATOM 157 P DT A 6 -3.490 7.514 6.172 1.00 0.00 P ATOM 158 OP1 DT A 6 -4.060 8.758 5.444 1.00 0.00 O ATOM 159 OP2 DT A 6 -2.832 7.912 7.518 1.00 0.00 O ATOM 160 O5' DT A 6 -4.664 6.531 6.488 1.00 0.00 O ATOM 161 C5' DT A 6 -5.639 6.233 5.495 1.00 0.00 C ATOM 162 C4' DT A 6 -6.925 5.716 6.152 1.00 0.00 C ATOM 163 O4' DT A 6 -6.831 4.317 6.264 1.00 0.00 O ATOM 164 C3' DT A 6 -7.182 6.187 7.594 1.00 0.00 C ATOM 165 O3' DT A 6 -7.976 7.355 7.661 1.00 0.00 O ATOM 166 C2' DT A 6 -7.892 5.004 8.242 1.00 0.00 C ATOM 167 C1' DT A 6 -7.710 3.836 7.259 1.00 0.00 C ATOM 168 N1 DT A 6 -7.030 2.657 7.843 1.00 0.00 N ATOM 169 C2 DT A 6 -7.723 1.467 8.031 1.00 0.00 C ATOM 170 O2 DT A 6 -8.902 1.382 7.718 1.00 0.00 O ATOM 171 N3 DT A 6 -7.046 0.429 8.557 1.00 0.00 N ATOM 172 C4 DT A 6 -5.754 0.451 8.920 1.00 0.00 C ATOM 173 O4 DT A 6 -5.222 -0.540 9.399 1.00 0.00 O ATOM 174 C5 DT A 6 -5.045 1.718 8.713 1.00 0.00 C ATOM 175 C7 DT A 6 -3.599 1.828 9.100 1.00 0.00 C ATOM 176 C6 DT A 6 -5.745 2.780 8.167 1.00 0.00 C ATOM 0 H5' DT A 6 -5.249 5.485 4.805 1.00 0.00 H new ATOM 0 H5'' DT A 6 -5.855 7.126 4.908 1.00 0.00 H new ATOM 0 H4' DT A 6 -7.724 6.096 5.515 1.00 0.00 H new ATOM 0 H3' DT A 6 -6.254 6.463 8.095 1.00 0.00 H new ATOM 0 H2' DT A 6 -7.460 4.771 9.215 1.00 0.00 H new ATOM 0 H2'' DT A 6 -8.948 5.220 8.406 1.00 0.00 H new ATOM 0 HO3' DT A 6 -8.108 7.607 8.599 1.00 0.00 H new ATOM 0 H1' DT A 6 -8.698 3.524 6.921 1.00 0.00 H new ATOM 0 H3 DT A 6 -7.556 -0.444 8.690 1.00 0.00 H new ATOM 0 H71 DT A 6 -3.102 2.547 8.449 1.00 0.00 H new ATOM 0 H72 DT A 6 -3.524 2.162 10.135 1.00 0.00 H new ATOM 0 H73 DT A 6 -3.120 0.854 8.998 1.00 0.00 H new ATOM 0 H6 DT A 6 -5.242 3.721 8.002 1.00 0.00 H new TER 190 DT A 6 HETATM 191 CCB HEH A 13 0.440 -1.738 0.610 1.00 0.00 C HETATM 192 O1 HEH A 13 1.612 -1.889 1.286 1.00 0.00 O HETATM 193 C2 HEH A 13 2.143 -3.128 1.656 1.00 0.00 C HETATM 194 C3 HEH A 13 1.454 -4.283 1.336 1.00 0.00 C HETATM 195 C4 HEH A 13 0.185 -4.205 0.614 1.00 0.00 C HETATM 196 O4 HEH A 13 -0.456 -5.211 0.332 1.00 0.00 O HETATM 197 C4A HEH A 13 -0.327 -2.902 0.237 1.00 0.00 C HETATM 198 C5 HEH A 13 -1.546 -2.732 -0.481 1.00 0.00 C HETATM 199 C13 HEH A 13 -2.377 -3.918 -0.916 1.00 0.00 C HETATM 200 C6 HEH A 13 -1.978 -1.448 -0.812 1.00 0.00 C HETATM 201 C6A HEH A 13 -1.249 -0.292 -0.451 1.00 0.00 C HETATM 202 C7 HEH A 13 -1.749 1.006 -0.813 1.00 0.00 C HETATM 203 O7C HEH A 13 -2.789 1.060 -1.460 1.00 0.00 O HETATM 204 C7A HEH A 13 -1.036 2.217 -0.437 1.00 0.00 C HETATM 205 C8 HEH A 13 -1.499 3.530 -0.760 1.00 0.00 C HETATM 206 C9 HEH A 13 -0.800 4.648 -0.304 1.00 0.00 C HETATM 207 C10 HEH A 13 0.369 4.557 0.450 1.00 0.00 C HETATM 208 C11 HEH A 13 0.860 3.276 0.748 1.00 0.00 C HETATM 209 O11 HEH A 13 2.021 3.199 1.497 1.00 0.00 O HETATM 210 CBA HEH A 13 0.189 2.096 0.314 1.00 0.00 C HETATM 211 CCA HEH A 13 -0.018 -0.412 0.273 1.00 0.00 C HETATM 212 C12 HEH A 13 0.702 0.784 0.647 1.00 0.00 C HETATM 213 OCC HEH A 13 1.781 0.693 1.228 1.00 0.00 O HETATM 214 C6E HEH A 13 -2.633 3.772 -1.741 1.00 0.00 C HETATM 215 O1E HEH A 13 -2.514 5.077 -2.276 1.00 0.00 O HETATM 216 C2E HEH A 13 -3.273 5.356 -3.432 1.00 0.00 C HETATM 217 C1X HEH A 13 -2.918 6.793 -3.835 1.00 0.00 C HETATM 218 C3E HEH A 13 -4.765 5.153 -3.113 1.00 0.00 C HETATM 219 O3E HEH A 13 -5.580 5.173 -4.271 1.00 0.00 O HETATM 220 C4E HEH A 13 -4.979 3.781 -2.456 1.00 0.00 C HETATM 221 N4E HEH A 13 -6.394 3.367 -2.387 1.00 0.00 N HETATM 222 C2X HEH A 13 -6.617 2.275 -1.443 1.00 0.00 C HETATM 223 C3X HEH A 13 -7.430 4.409 -2.287 1.00 0.00 C HETATM 224 C5E HEH A 13 -4.070 3.653 -1.212 1.00 0.00 C HETATM 225 C6F HEH A 13 1.034 5.845 0.937 1.00 0.00 C HETATM 226 O1F HEH A 13 0.543 7.001 0.273 1.00 0.00 O HETATM 227 C2F HEH A 13 0.982 7.230 -1.055 1.00 0.00 C HETATM 228 C1A HEH A 13 0.247 8.454 -1.606 1.00 0.00 C HETATM 229 C3F HEH A 13 2.524 7.305 -1.156 1.00 0.00 C HETATM 230 O3F HEH A 13 3.167 8.384 -0.486 1.00 0.00 O HETATM 231 C4F HEH A 13 3.186 6.074 -0.526 1.00 0.00 C HETATM 232 N4F HEH A 13 4.628 6.375 -0.400 1.00 0.00 N HETATM 233 C5X HEH A 13 5.407 5.420 0.426 1.00 0.00 C HETATM 234 C1B HEH A 13 5.375 6.665 -1.641 1.00 0.00 C HETATM 235 C1C HEH A 13 2.971 4.824 -1.377 1.00 0.00 C HETATM 236 C5F HEH A 13 2.570 5.935 0.894 1.00 0.00 C HETATM 237 C14 HEH A 13 3.464 -3.122 2.363 1.00 0.00 C HETATM 238 O14 HEH A 13 4.336 -4.261 2.208 1.00 0.00 O HETATM 239 C15 HEH A 13 4.211 -1.794 2.348 1.00 0.00 C HETATM 240 C16 HEH A 13 3.631 -4.104 3.458 1.00 0.00 C HETATM 241 C17 HEH A 13 4.378 -3.678 4.717 1.00 0.00 C HETATM 242 O17 HEH A 13 5.057 -4.849 5.138 1.00 0.00 O HETATM 243 C18 HEH A 13 3.362 -3.198 5.780 1.00 0.00 C HETATM 244 C19 HEH A 13 4.002 -3.076 7.174 1.00 0.00 C HETATM 0 HMC3 HEH A 13 4.386 -4.048 7.484 1.00 0.00 H new HETATM 0 HMC2 HEH A 13 4.821 -2.357 7.137 1.00 0.00 H new HETATM 0 HMC1 HEH A 13 3.253 -2.736 7.890 1.00 0.00 H new HETATM 0 HMB3 HEH A 13 4.413 -1.502 1.318 1.00 0.00 H new HETATM 0 HMB2 HEH A 13 3.602 -1.029 2.829 1.00 0.00 H new HETATM 0 HMB1 HEH A 13 5.153 -1.900 2.887 1.00 0.00 H new HETATM 0 HMA3 HEH A 13 -1.786 -4.554 -1.576 1.00 0.00 H new HETATM 0 HMA2 HEH A 13 -2.682 -4.489 -0.039 1.00 0.00 H new HETATM 0 HMA1 HEH A 13 -3.262 -3.567 -1.447 1.00 0.00 H new HETATM 0 HM73 HEH A 13 -0.827 8.268 -1.597 1.00 0.00 H new HETATM 0 HM72 HEH A 13 0.470 9.322 -0.986 1.00 0.00 H new HETATM 0 HM71 HEH A 13 0.573 8.645 -2.628 1.00 0.00 H new HETATM 0 HM43 HEH A 13 1.903 4.629 -1.474 1.00 0.00 H new HETATM 0 HM42 HEH A 13 3.402 4.978 -2.366 1.00 0.00 H new HETATM 0 HM41 HEH A 13 3.454 3.971 -0.900 1.00 0.00 H new HETATM 0 HM13 HEH A 13 -3.175 7.473 -3.022 1.00 0.00 H new HETATM 0 HM12 HEH A 13 -1.850 6.860 -4.040 1.00 0.00 H new HETATM 0 HM11 HEH A 13 -3.477 7.069 -4.729 1.00 0.00 H new HETATM 0 HK63 HEH A 13 5.318 5.806 -2.309 1.00 0.00 H new HETATM 0 HK62 HEH A 13 4.941 7.536 -2.132 1.00 0.00 H new HETATM 0 HK61 HEH A 13 6.418 6.867 -1.399 1.00 0.00 H new HETATM 0 HK53 HEH A 13 5.006 5.404 1.439 1.00 0.00 H new HETATM 0 HK52 HEH A 13 5.337 4.422 -0.008 1.00 0.00 H new HETATM 0 HK51 HEH A 13 6.451 5.731 0.454 1.00 0.00 H new HETATM 0 HG33 HEH A 13 -7.269 4.996 -1.383 1.00 0.00 H new HETATM 0 HG32 HEH A 13 -7.375 5.062 -3.158 1.00 0.00 H new HETATM 0 HG31 HEH A 13 -8.414 3.941 -2.246 1.00 0.00 H new HETATM 0 HG23 HEH A 13 -6.030 1.407 -1.745 1.00 0.00 H new HETATM 0 HG22 HEH A 13 -6.313 2.589 -0.445 1.00 0.00 H new HETATM 0 HG21 HEH A 13 -7.675 2.012 -1.434 1.00 0.00 H new HETATM 0 HF6' HEH A 13 0.753 5.806 1.989 1.00 0.00 H new HETATM 0 HF5' HEH A 13 2.885 6.789 1.494 1.00 0.00 H new HETATM 0 HF3' HEH A 13 2.653 7.411 -2.233 1.00 0.00 H new HETATM 0 HF2' HEH A 13 0.726 6.380 -1.688 1.00 0.00 H new HETATM 0 HE6' HEH A 13 -2.509 2.965 -2.463 1.00 0.00 H new HETATM 0 HE5' HEH A 13 -4.225 2.699 -0.709 1.00 0.00 H new HETATM 0 HE4' HEH A 13 -4.627 2.975 -3.100 1.00 0.00 H new HETATM 0 HE3' HEH A 13 -5.045 5.976 -2.455 1.00 0.00 H new HETATM 0 HE2' HEH A 13 -3.054 4.692 -4.268 1.00 0.00 H new HETATM 0 H11D HEH A 13 2.435 2.320 1.369 1.00 0.00 H new HETATM 0 HNF HEH A 13 4.553 7.260 0.101 1.00 0.00 H new HETATM 0 HNE HEH A 13 -6.540 3.025 -3.337 1.00 0.00 H new HETATM 0 H9 HEH A 13 -1.186 5.638 -0.548 1.00 0.00 H new HETATM 0 H6 HEH A 13 -2.909 -1.332 -1.367 1.00 0.00 H new HETATM 0 H5F HEH A 13 2.983 5.044 1.366 1.00 0.00 H new HETATM 0 H5E HEH A 13 -4.287 4.436 -0.485 1.00 0.00 H new HETATM 0 H3F HEH A 13 2.636 8.648 0.294 1.00 0.00 H new HETATM 0 H3E HEH A 13 -6.040 6.036 -4.332 1.00 0.00 H new HETATM 0 H3 HEH A 13 1.858 -5.254 1.623 1.00 0.00 H new HETATM 0 H17 HEH A 13 5.071 -2.853 4.553 1.00 0.00 H new HETATM 0 H16 HEH A 13 2.973 -4.739 4.051 1.00 0.00 H new ATOM 297 O5' DA B 7 -11.136 -9.295 8.759 1.00 0.00 O ATOM 298 C5' DA B 7 -10.681 -8.012 8.369 1.00 0.00 C ATOM 299 C4' DA B 7 -11.245 -7.524 7.019 1.00 0.00 C ATOM 300 O4' DA B 7 -10.594 -6.313 6.692 1.00 0.00 O ATOM 301 C3' DA B 7 -10.928 -8.387 5.802 1.00 0.00 C ATOM 302 O3' DA B 7 -11.725 -7.892 4.727 1.00 0.00 O ATOM 303 C2' DA B 7 -9.468 -8.040 5.563 1.00 0.00 C ATOM 304 C1' DA B 7 -9.406 -6.553 5.954 1.00 0.00 C ATOM 305 N9 DA B 7 -8.255 -6.126 6.775 1.00 0.00 N ATOM 306 C8 DA B 7 -7.293 -6.820 7.424 1.00 0.00 C ATOM 307 N7 DA B 7 -6.429 -6.041 8.104 1.00 0.00 N ATOM 308 C5 DA B 7 -6.855 -4.742 7.881 1.00 0.00 C ATOM 309 C6 DA B 7 -6.425 -3.500 8.251 1.00 0.00 C ATOM 310 N6 DA B 7 -5.344 -3.346 9.037 1.00 0.00 N ATOM 311 N1 DA B 7 -7.058 -2.387 7.833 1.00 0.00 N ATOM 312 C2 DA B 7 -8.127 -2.530 7.032 1.00 0.00 C ATOM 313 N3 DA B 7 -8.621 -3.696 6.626 1.00 0.00 N ATOM 314 C4 DA B 7 -7.988 -4.797 7.051 1.00 0.00 C ATOM 0 H5' DA B 7 -9.593 -8.027 8.311 1.00 0.00 H new ATOM 0 H5'' DA B 7 -10.949 -7.293 9.143 1.00 0.00 H new ATOM 0 H4' DA B 7 -12.323 -7.498 7.179 1.00 0.00 H new ATOM 0 H3' DA B 7 -11.110 -9.456 5.908 1.00 0.00 H new ATOM 0 H2' DA B 7 -8.802 -8.648 6.175 1.00 0.00 H new ATOM 0 H2'' DA B 7 -9.179 -8.198 4.524 1.00 0.00 H new ATOM 0 HO5' DA B 7 -10.736 -9.536 9.620 1.00 0.00 H new ATOM 0 H1' DA B 7 -9.296 -5.983 5.032 1.00 0.00 H new ATOM 0 H8 DA B 7 -7.224 -7.897 7.400 1.00 0.00 H new ATOM 0 H61 DA B 7 -5.037 -2.411 9.304 1.00 0.00 H new ATOM 0 H62 DA B 7 -4.832 -4.165 9.366 1.00 0.00 H new ATOM 0 H2 DA B 7 -8.622 -1.632 6.693 1.00 0.00 H new ATOM 327 P DC B 8 -11.978 -8.732 3.425 1.00 0.00 P ATOM 328 OP1 DC B 8 -13.485 -9.079 3.334 1.00 0.00 O ATOM 329 OP2 DC B 8 -11.104 -10.014 3.458 1.00 0.00 O ATOM 330 O5' DC B 8 -11.564 -7.930 2.147 1.00 0.00 O ATOM 331 C5' DC B 8 -10.350 -7.188 2.209 1.00 0.00 C ATOM 332 C4' DC B 8 -10.448 -5.875 1.441 1.00 0.00 C ATOM 333 O4' DC B 8 -9.834 -4.884 2.252 1.00 0.00 O ATOM 334 C3' DC B 8 -9.660 -5.920 0.135 1.00 0.00 C ATOM 335 O3' DC B 8 -10.328 -5.089 -0.815 1.00 0.00 O ATOM 336 C2' DC B 8 -8.288 -5.405 0.578 1.00 0.00 C ATOM 337 C1' DC B 8 -8.607 -4.422 1.724 1.00 0.00 C ATOM 338 N1 DC B 8 -7.612 -4.359 2.833 1.00 0.00 N ATOM 339 C2 DC B 8 -7.158 -3.126 3.303 1.00 0.00 C ATOM 340 O2 DC B 8 -7.558 -2.038 2.909 1.00 0.00 O ATOM 341 N3 DC B 8 -6.174 -3.173 4.278 1.00 0.00 N ATOM 342 C4 DC B 8 -5.688 -4.310 4.748 1.00 0.00 C ATOM 343 N4 DC B 8 -4.716 -4.276 5.671 1.00 0.00 N ATOM 344 C5 DC B 8 -6.145 -5.526 4.295 1.00 0.00 C ATOM 345 C6 DC B 8 -7.129 -5.505 3.321 1.00 0.00 C ATOM 0 H5' DC B 8 -9.536 -7.788 1.801 1.00 0.00 H new ATOM 0 H5'' DC B 8 -10.103 -6.982 3.250 1.00 0.00 H new ATOM 0 H4' DC B 8 -11.495 -5.675 1.215 1.00 0.00 H new ATOM 0 H3' DC B 8 -9.570 -6.889 -0.356 1.00 0.00 H new ATOM 0 H2' DC B 8 -7.647 -6.219 0.918 1.00 0.00 H new ATOM 0 H2'' DC B 8 -7.766 -4.908 -0.240 1.00 0.00 H new ATOM 0 H1' DC B 8 -8.613 -3.412 1.314 1.00 0.00 H new ATOM 0 H41 DC B 8 -4.333 -5.146 6.041 1.00 0.00 H new ATOM 0 H42 DC B 8 -4.359 -3.380 6.003 1.00 0.00 H new ATOM 0 H5 DC B 8 -5.754 -6.455 4.682 1.00 0.00 H new ATOM 0 H6 DC B 8 -7.517 -6.441 2.946 1.00 0.00 H new ATOM 357 P DC B 9 -9.548 -4.373 -1.958 1.00 0.00 P ATOM 358 OP1 DC B 9 -10.568 -3.790 -2.969 1.00 0.00 O ATOM 359 OP2 DC B 9 -8.618 -5.410 -2.640 1.00 0.00 O ATOM 360 O5' DC B 9 -8.650 -3.241 -1.381 1.00 0.00 O ATOM 361 C5' DC B 9 -9.126 -1.910 -1.249 1.00 0.00 C ATOM 362 C4' DC B 9 -7.909 -0.998 -1.290 1.00 0.00 C ATOM 363 O4' DC B 9 -7.169 -1.244 -0.111 1.00 0.00 O ATOM 364 C3' DC B 9 -6.935 -1.300 -2.441 1.00 0.00 C ATOM 365 O3' DC B 9 -6.910 -0.267 -3.431 1.00 0.00 O ATOM 366 C2' DC B 9 -5.571 -1.409 -1.776 1.00 0.00 C ATOM 367 C1' DC B 9 -5.802 -0.979 -0.320 1.00 0.00 C ATOM 368 N1 DC B 9 -5.010 -1.738 0.675 1.00 0.00 N ATOM 369 C2 DC B 9 -4.072 -1.078 1.456 1.00 0.00 C ATOM 370 O2 DC B 9 -3.860 0.127 1.400 1.00 0.00 O ATOM 371 N3 DC B 9 -3.341 -1.865 2.325 1.00 0.00 N ATOM 372 C4 DC B 9 -3.513 -3.170 2.419 1.00 0.00 C ATOM 373 N4 DC B 9 -2.748 -3.856 3.284 1.00 0.00 N ATOM 374 C5 DC B 9 -4.452 -3.826 1.646 1.00 0.00 C ATOM 375 C6 DC B 9 -5.198 -3.053 0.767 1.00 0.00 C ATOM 0 H5' DC B 9 -9.670 -1.786 -0.313 1.00 0.00 H new ATOM 0 H5'' DC B 9 -9.818 -1.666 -2.055 1.00 0.00 H new ATOM 0 H4' DC B 9 -8.283 0.019 -1.408 1.00 0.00 H new ATOM 0 H3' DC B 9 -7.235 -2.205 -2.969 1.00 0.00 H new ATOM 0 H2' DC B 9 -5.186 -2.427 -1.830 1.00 0.00 H new ATOM 0 H2'' DC B 9 -4.841 -0.765 -2.266 1.00 0.00 H new ATOM 0 H1' DC B 9 -5.500 0.059 -0.185 1.00 0.00 H new ATOM 0 H41 DC B 9 -2.861 -4.866 3.376 1.00 0.00 H new ATOM 0 H42 DC B 9 -2.054 -3.367 3.849 1.00 0.00 H new ATOM 0 H5 DC B 9 -4.599 -4.893 1.722 1.00 0.00 H new ATOM 0 H6 DC B 9 -5.944 -3.527 0.147 1.00 0.00 H new ATOM 387 P DG B 10 -7.108 -0.642 -4.954 1.00 0.00 P ATOM 388 OP1 DG B 10 -8.622 -0.539 -5.267 1.00 0.00 O ATOM 389 OP2 DG B 10 -6.581 -2.077 -5.216 1.00 0.00 O ATOM 390 O5' DG B 10 -6.348 0.289 -5.956 1.00 0.00 O ATOM 391 C5' DG B 10 -6.732 1.650 -6.109 1.00 0.00 C ATOM 392 C4' DG B 10 -5.469 2.502 -6.210 1.00 0.00 C ATOM 393 O4' DG B 10 -4.573 2.058 -5.207 1.00 0.00 O ATOM 394 C3' DG B 10 -4.749 2.363 -7.556 1.00 0.00 C ATOM 395 O3' DG B 10 -4.586 3.677 -8.108 1.00 0.00 O ATOM 396 C2' DG B 10 -3.458 1.631 -7.193 1.00 0.00 C ATOM 397 C1' DG B 10 -3.256 1.904 -5.698 1.00 0.00 C ATOM 398 N9 DG B 10 -2.608 0.759 -5.021 1.00 0.00 N ATOM 399 C8 DG B 10 -3.002 -0.531 -5.014 1.00 0.00 C ATOM 400 N7 DG B 10 -2.154 -1.363 -4.385 1.00 0.00 N ATOM 401 C5 DG B 10 -1.125 -0.555 -3.940 1.00 0.00 C ATOM 402 C6 DG B 10 0.076 -0.834 -3.208 1.00 0.00 C ATOM 403 O6 DG B 10 0.494 -1.913 -2.811 1.00 0.00 O ATOM 404 N1 DG B 10 0.833 0.297 -2.937 1.00 0.00 N ATOM 405 C2 DG B 10 0.504 1.525 -3.312 1.00 0.00 C ATOM 406 N2 DG B 10 1.309 2.542 -2.969 1.00 0.00 N ATOM 407 N3 DG B 10 -0.595 1.815 -4.003 1.00 0.00 N ATOM 408 C4 DG B 10 -1.405 0.781 -4.317 1.00 0.00 C ATOM 0 H5' DG B 10 -7.338 1.970 -5.261 1.00 0.00 H new ATOM 0 H5'' DG B 10 -7.344 1.773 -7.003 1.00 0.00 H new ATOM 0 H4' DG B 10 -5.767 3.544 -6.098 1.00 0.00 H new ATOM 0 H3' DG B 10 -5.269 1.802 -8.333 1.00 0.00 H new ATOM 0 H2' DG B 10 -3.541 0.562 -7.392 1.00 0.00 H new ATOM 0 H2'' DG B 10 -2.616 2.000 -7.779 1.00 0.00 H new ATOM 0 H1' DG B 10 -2.615 2.768 -5.523 1.00 0.00 H new ATOM 0 H8 DG B 10 -3.920 -0.867 -5.474 1.00 0.00 H new ATOM 0 H1 DG B 10 1.700 0.175 -2.414 1.00 0.00 H new ATOM 0 H21 DG B 10 1.074 3.495 -3.248 1.00 0.00 H new ATOM 0 H22 DG B 10 2.156 2.362 -2.430 1.00 0.00 H new ATOM 420 P DG B 11 -3.275 4.161 -8.812 1.00 0.00 P ATOM 421 OP1 DG B 11 -3.513 5.600 -9.339 1.00 0.00 O ATOM 422 OP2 DG B 11 -2.954 3.192 -9.978 1.00 0.00 O ATOM 423 O5' DG B 11 -2.058 4.153 -7.841 1.00 0.00 O ATOM 424 C5' DG B 11 -1.740 5.278 -7.033 1.00 0.00 C ATOM 425 C4' DG B 11 -0.251 5.196 -6.753 1.00 0.00 C ATOM 426 O4' DG B 11 0.024 3.922 -6.199 1.00 0.00 O ATOM 427 C3' DG B 11 0.564 5.284 -8.047 1.00 0.00 C ATOM 428 O3' DG B 11 1.481 6.366 -7.913 1.00 0.00 O ATOM 429 C2' DG B 11 1.248 3.923 -8.140 1.00 0.00 C ATOM 430 C1' DG B 11 1.242 3.420 -6.702 1.00 0.00 C ATOM 431 N9 DG B 11 1.277 1.948 -6.585 1.00 0.00 N ATOM 432 C8 DG B 11 0.417 1.021 -7.053 1.00 0.00 C ATOM 433 N7 DG B 11 0.761 -0.246 -6.748 1.00 0.00 N ATOM 434 C5 DG B 11 1.936 -0.138 -6.026 1.00 0.00 C ATOM 435 C6 DG B 11 2.802 -1.106 -5.415 1.00 0.00 C ATOM 436 O6 DG B 11 2.690 -2.326 -5.395 1.00 0.00 O ATOM 437 N1 DG B 11 3.893 -0.530 -4.781 1.00 0.00 N ATOM 438 C2 DG B 11 4.138 0.772 -4.724 1.00 0.00 C ATOM 439 N2 DG B 11 5.240 1.222 -4.104 1.00 0.00 N ATOM 440 N3 DG B 11 3.353 1.686 -5.274 1.00 0.00 N ATOM 441 C4 DG B 11 2.264 1.233 -5.921 1.00 0.00 C ATOM 0 H5' DG B 11 -2.311 5.264 -6.105 1.00 0.00 H new ATOM 0 H5'' DG B 11 -1.988 6.207 -7.546 1.00 0.00 H new ATOM 0 H4' DG B 11 0.015 6.018 -6.088 1.00 0.00 H new ATOM 0 H3' DG B 11 -0.013 5.479 -8.951 1.00 0.00 H new ATOM 0 H2' DG B 11 0.708 3.247 -8.803 1.00 0.00 H new ATOM 0 H2'' DG B 11 2.262 4.010 -8.530 1.00 0.00 H new ATOM 0 H1' DG B 11 2.130 3.750 -6.163 1.00 0.00 H new ATOM 0 H8 DG B 11 -0.467 1.271 -7.621 1.00 0.00 H new ATOM 0 H1 DG B 11 4.557 -1.155 -4.324 1.00 0.00 H new ATOM 0 H21 DG B 11 5.428 2.224 -4.061 1.00 0.00 H new ATOM 0 H22 DG B 11 5.890 0.562 -3.676 1.00 0.00 H new ATOM 453 P DT B 12 2.642 6.568 -8.939 1.00 0.00 P ATOM 454 OP1 DT B 12 3.045 8.064 -8.925 1.00 0.00 O ATOM 455 OP2 DT B 12 2.179 6.120 -10.350 1.00 0.00 O ATOM 456 O5' DT B 12 3.888 5.730 -8.535 1.00 0.00 O ATOM 457 C5' DT B 12 4.324 5.802 -7.182 1.00 0.00 C ATOM 458 C4' DT B 12 5.531 4.894 -6.971 1.00 0.00 C ATOM 459 O4' DT B 12 5.067 3.568 -6.990 1.00 0.00 O ATOM 460 C3' DT B 12 6.607 4.966 -8.070 1.00 0.00 C ATOM 461 O3' DT B 12 7.758 5.617 -7.561 1.00 0.00 O ATOM 462 C2' DT B 12 6.873 3.504 -8.432 1.00 0.00 C ATOM 463 C1' DT B 12 6.114 2.712 -7.375 1.00 0.00 C ATOM 464 N1 DT B 12 5.510 1.466 -7.888 1.00 0.00 N ATOM 465 C2 DT B 12 6.159 0.268 -7.661 1.00 0.00 C ATOM 466 O2 DT B 12 7.240 0.248 -7.089 1.00 0.00 O ATOM 467 N3 DT B 12 5.562 -0.841 -8.100 1.00 0.00 N ATOM 468 C4 DT B 12 4.392 -0.910 -8.744 1.00 0.00 C ATOM 469 O4 DT B 12 3.944 -1.998 -9.079 1.00 0.00 O ATOM 470 C5 DT B 12 3.721 0.374 -8.987 1.00 0.00 C ATOM 471 C7 DT B 12 2.403 0.407 -9.710 1.00 0.00 C ATOM 472 C6 DT B 12 4.343 1.525 -8.528 1.00 0.00 C ATOM 0 H5' DT B 12 3.515 5.505 -6.515 1.00 0.00 H new ATOM 0 H5'' DT B 12 4.584 6.830 -6.930 1.00 0.00 H new ATOM 0 H4' DT B 12 5.988 5.220 -6.036 1.00 0.00 H new ATOM 0 H3' DT B 12 6.305 5.537 -8.948 1.00 0.00 H new ATOM 0 H2' DT B 12 6.517 3.271 -9.436 1.00 0.00 H new ATOM 0 H2'' DT B 12 7.939 3.276 -8.411 1.00 0.00 H new ATOM 0 HO3' DT B 12 8.444 5.662 -8.259 1.00 0.00 H new ATOM 0 H1' DT B 12 6.795 2.416 -6.577 1.00 0.00 H new ATOM 0 H3 DT B 12 6.045 -1.723 -7.928 1.00 0.00 H new ATOM 0 H71 DT B 12 1.817 1.257 -9.360 1.00 0.00 H new ATOM 0 H72 DT B 12 2.578 0.503 -10.782 1.00 0.00 H new ATOM 0 H73 DT B 12 1.857 -0.516 -9.513 1.00 0.00 H new ATOM 0 H6 DT B 12 3.874 2.484 -8.692 1.00 0.00 H new TER 486 DT B 12