USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 246 hydrogens (62 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 5 DT C7 :methyl -30:sc= -0.443 (180deg=-1.84!) USER MOD Single : A 7 DT C7 :methyl -30:sc= -0.0202 (180deg=-1.07) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : A 9 MNG O2' : rot 83:sc= 1.34 USER MOD Single : A 9 MNG O4 : rot 136:sc= 0.617 USER MOD Single : A 9 MNG O4' : rot -160:sc=-0.00995 USER MOD Single : A 9 MNG O6 : rot -91:sc= 1.16 USER MOD Single : A 9 MNG O9 : rot 161:sc= 1.19 USER MOD Single : B 1 DG O5' : rot 180:sc= 0 USER MOD Single : B 5 DT C7 :methyl -30:sc= -0.469 (180deg=-1.74!) USER MOD Single : B 7 DT C7 :methyl -30:sc=-0.000524 (180deg=-1.05) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 9 MNG O2' : rot 62:sc= 1.32 USER MOD Single : B 9 MNG O4 : rot 126:sc= 0.547 USER MOD Single : B 9 MNG O4' : rot -160:sc= -0.0148 USER MOD Single : B 9 MNG O6 : rot -90:sc= 1.16 USER MOD Single : B 9 MNG O9 : rot -176:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -3.288 13.588 -5.402 1.00 1.03 O ATOM 2 C5' DG A 1 -2.245 14.105 -6.232 1.00 1.05 C ATOM 3 C4' DG A 1 -0.865 13.672 -5.735 1.00 0.89 C ATOM 4 O4' DG A 1 -0.633 14.246 -4.438 1.00 0.77 O ATOM 5 C3' DG A 1 -0.645 12.167 -5.670 1.00 0.78 C ATOM 6 O3' DG A 1 0.675 11.886 -6.162 1.00 0.76 O ATOM 7 C2' DG A 1 -0.836 11.972 -4.170 1.00 0.67 C ATOM 8 C1' DG A 1 -0.196 13.208 -3.569 1.00 0.62 C ATOM 9 N9 DG A 1 -0.761 13.474 -2.244 1.00 0.54 N ATOM 10 C8 DG A 1 -2.055 13.722 -1.916 1.00 0.60 C ATOM 11 N7 DG A 1 -2.300 13.928 -0.659 1.00 0.57 N ATOM 12 C5 DG A 1 -1.029 13.803 -0.092 1.00 0.46 C ATOM 13 C6 DG A 1 -0.615 13.918 1.262 1.00 0.42 C ATOM 14 O6 DG A 1 -1.265 14.149 2.276 1.00 0.46 O ATOM 15 N1 DG A 1 0.734 13.722 1.397 1.00 0.36 N ATOM 16 C2 DG A 1 1.598 13.450 0.368 1.00 0.36 C ATOM 17 N2 DG A 1 2.862 13.283 0.686 1.00 0.40 N ATOM 18 N3 DG A 1 1.238 13.338 -0.903 1.00 0.41 N ATOM 19 C4 DG A 1 -0.090 13.526 -1.058 1.00 0.45 C ATOM 0 H5' DG A 1 -2.300 15.193 -6.252 1.00 1.05 H new ATOM 0 H5'' DG A 1 -2.389 13.760 -7.256 1.00 1.05 H new ATOM 0 H4' DG A 1 -0.153 14.037 -6.475 1.00 0.89 H new ATOM 0 H3' DG A 1 -1.285 11.511 -6.260 1.00 0.78 H new ATOM 0 H2' DG A 1 -1.891 11.897 -3.906 1.00 0.67 H new ATOM 0 H2'' DG A 1 -0.354 11.059 -3.819 1.00 0.67 H new ATOM 0 HO5' DG A 1 -4.157 13.884 -5.746 1.00 1.03 H new ATOM 0 H1' DG A 1 0.885 13.115 -3.469 1.00 0.62 H new ATOM 0 H8 DG A 1 -2.837 13.746 -2.660 1.00 0.60 H new ATOM 0 H1 DG A 1 1.126 13.783 2.337 1.00 0.36 H new ATOM 0 H21 DG A 1 3.548 13.078 -0.041 1.00 0.40 H new ATOM 0 H22 DG A 1 3.157 13.358 1.659 1.00 0.40 H new ATOM 32 P DA A 2 1.594 10.637 -5.729 1.00 0.71 P ATOM 33 OP1 DA A 2 2.515 10.346 -6.851 1.00 0.81 O ATOM 34 OP2 DA A 2 0.736 9.566 -5.172 1.00 0.72 O ATOM 35 O5' DA A 2 2.429 11.265 -4.503 1.00 0.66 O ATOM 36 C5' DA A 2 3.662 11.978 -4.665 1.00 0.70 C ATOM 37 C4' DA A 2 4.842 11.257 -4.012 1.00 0.66 C ATOM 38 O4' DA A 2 4.778 11.202 -2.579 1.00 0.54 O ATOM 39 C3' DA A 2 5.068 9.836 -4.494 1.00 0.69 C ATOM 40 O3' DA A 2 6.469 9.574 -4.605 1.00 0.74 O ATOM 41 C2' DA A 2 4.369 9.030 -3.425 1.00 0.57 C ATOM 42 C1' DA A 2 4.390 9.881 -2.174 1.00 0.47 C ATOM 43 N9 DA A 2 3.059 10.024 -1.529 1.00 0.38 N ATOM 44 C8 DA A 2 1.819 10.039 -2.102 1.00 0.40 C ATOM 45 N7 DA A 2 0.807 10.191 -1.315 1.00 0.36 N ATOM 46 C5 DA A 2 1.428 10.290 -0.076 1.00 0.29 C ATOM 47 C6 DA A 2 0.912 10.466 1.208 1.00 0.29 C ATOM 48 N6 DA A 2 -0.386 10.570 1.455 1.00 0.36 N ATOM 49 N1 DA A 2 1.777 10.526 2.224 1.00 0.30 N ATOM 50 C2 DA A 2 3.078 10.417 1.981 1.00 0.31 C ATOM 51 N3 DA A 2 3.692 10.248 0.817 1.00 0.31 N ATOM 52 C4 DA A 2 2.793 10.191 -0.191 1.00 0.31 C ATOM 0 H5' DA A 2 3.563 12.973 -4.232 1.00 0.70 H new ATOM 0 H5'' DA A 2 3.864 12.112 -5.728 1.00 0.70 H new ATOM 0 H4' DA A 2 5.675 11.885 -4.329 1.00 0.66 H new ATOM 0 H3' DA A 2 4.682 9.606 -5.487 1.00 0.69 H new ATOM 0 H2' DA A 2 3.346 8.796 -3.720 1.00 0.57 H new ATOM 0 H2'' DA A 2 4.877 8.080 -3.258 1.00 0.57 H new ATOM 0 H1' DA A 2 5.063 9.402 -1.463 1.00 0.47 H new ATOM 0 H8 DA A 2 1.691 9.928 -3.169 1.00 0.40 H new ATOM 0 H61 DA A 2 -0.714 10.698 2.412 1.00 0.36 H new ATOM 0 H62 DA A 2 -1.057 10.522 0.688 1.00 0.36 H new ATOM 0 H2 DA A 2 3.722 10.473 2.846 1.00 0.31 H new ATOM 64 P DC A 3 7.058 8.116 -4.938 1.00 0.76 P ATOM 65 OP1 DC A 3 8.526 8.240 -5.075 1.00 0.80 O ATOM 66 OP2 DC A 3 6.259 7.503 -6.022 1.00 0.83 O ATOM 67 O5' DC A 3 6.718 7.350 -3.565 1.00 0.65 O ATOM 68 C5' DC A 3 7.328 7.756 -2.335 1.00 0.55 C ATOM 69 C4' DC A 3 6.736 7.058 -1.134 1.00 0.42 C ATOM 70 O4' DC A 3 5.496 7.584 -0.706 1.00 0.31 O ATOM 71 C3' DC A 3 6.683 5.591 -1.073 1.00 0.43 C ATOM 72 O3' DC A 3 7.930 5.012 -0.699 1.00 0.58 O ATOM 73 C2' DC A 3 5.515 5.281 -0.153 1.00 0.28 C ATOM 74 C1' DC A 3 4.945 6.646 0.213 1.00 0.21 C ATOM 75 N1 DC A 3 3.499 6.808 -0.035 1.00 0.23 N ATOM 76 C2 DC A 3 2.708 7.242 1.003 1.00 0.22 C ATOM 77 O2 DC A 3 3.194 7.470 2.101 1.00 0.24 O ATOM 78 N3 DC A 3 1.385 7.424 0.797 1.00 0.31 N ATOM 79 C4 DC A 3 0.848 7.187 -0.397 1.00 0.37 C ATOM 80 N4 DC A 3 -0.460 7.386 -0.533 1.00 0.48 N ATOM 81 C5 DC A 3 1.646 6.732 -1.499 1.00 0.39 C ATOM 82 C6 DC A 3 2.971 6.556 -1.269 1.00 0.34 C ATOM 0 H5' DC A 3 7.215 8.834 -2.216 1.00 0.55 H new ATOM 0 H5'' DC A 3 8.398 7.551 -2.379 1.00 0.55 H new ATOM 0 H4' DC A 3 7.538 7.310 -0.440 1.00 0.42 H new ATOM 0 H3' DC A 3 6.515 5.133 -2.048 1.00 0.43 H new ATOM 0 H2' DC A 3 4.770 4.661 -0.652 1.00 0.28 H new ATOM 0 H2'' DC A 3 5.841 4.737 0.733 1.00 0.28 H new ATOM 0 H1' DC A 3 5.165 6.774 1.273 1.00 0.21 H new ATOM 0 H41 DC A 3 -0.911 7.216 -1.432 1.00 0.48 H new ATOM 0 H42 DC A 3 -1.012 7.709 0.262 1.00 0.48 H new ATOM 0 H5 DC A 3 1.211 6.538 -2.468 1.00 0.39 H new ATOM 0 H6 DC A 3 3.613 6.214 -2.067 1.00 0.34 H new ATOM 94 P DA A 4 8.227 3.443 -0.918 1.00 0.70 P ATOM 95 OP1 DA A 4 9.667 3.302 -1.233 1.00 0.96 O ATOM 96 OP2 DA A 4 7.213 2.874 -1.837 1.00 0.81 O ATOM 97 O5' DA A 4 7.953 2.846 0.546 1.00 0.56 O ATOM 98 C5' DA A 4 8.850 3.124 1.629 1.00 0.51 C ATOM 99 C4' DA A 4 8.345 2.532 2.931 1.00 0.39 C ATOM 100 O4' DA A 4 7.078 3.117 3.270 1.00 0.33 O ATOM 101 C3' DA A 4 8.213 1.020 2.832 1.00 0.38 C ATOM 102 O3' DA A 4 9.391 0.393 3.356 1.00 0.39 O ATOM 103 C2' DA A 4 7.005 0.799 3.737 1.00 0.34 C ATOM 104 C1' DA A 4 6.194 2.078 3.681 1.00 0.31 C ATOM 105 N9 DA A 4 5.011 1.957 2.818 1.00 0.26 N ATOM 106 C8 DA A 4 4.932 1.910 1.460 1.00 0.26 C ATOM 107 N7 DA A 4 3.729 1.772 0.973 1.00 0.27 N ATOM 108 C5 DA A 4 2.938 1.726 2.127 1.00 0.25 C ATOM 109 C6 DA A 4 1.552 1.591 2.342 1.00 0.28 C ATOM 110 N6 DA A 4 0.652 1.464 1.374 1.00 0.34 N ATOM 111 N1 DA A 4 1.113 1.586 3.609 1.00 0.28 N ATOM 112 C2 DA A 4 1.977 1.707 4.609 1.00 0.29 C ATOM 113 N3 DA A 4 3.293 1.836 4.538 1.00 0.30 N ATOM 114 C4 DA A 4 3.713 1.839 3.250 1.00 0.26 C ATOM 0 H5' DA A 4 8.967 4.202 1.739 1.00 0.51 H new ATOM 0 H5'' DA A 4 9.835 2.718 1.401 1.00 0.51 H new ATOM 0 H4' DA A 4 9.070 2.756 3.714 1.00 0.39 H new ATOM 0 H3' DA A 4 8.098 0.615 1.826 1.00 0.38 H new ATOM 0 H2' DA A 4 6.414 -0.052 3.397 1.00 0.34 H new ATOM 0 H2'' DA A 4 7.318 0.581 4.758 1.00 0.34 H new ATOM 0 H1' DA A 4 5.783 2.309 4.664 1.00 0.31 H new ATOM 0 H8 DA A 4 5.805 1.982 0.829 1.00 0.26 H new ATOM 0 H61 DA A 4 -0.337 1.370 1.606 1.00 0.34 H new ATOM 0 H62 DA A 4 0.950 1.460 0.398 1.00 0.34 H new ATOM 0 H2 DA A 4 1.555 1.699 5.603 1.00 0.29 H new ATOM 126 P DT A 5 9.760 -1.161 3.093 1.00 0.42 P ATOM 127 OP1 DT A 5 11.198 -1.345 3.396 1.00 0.55 O ATOM 128 OP2 DT A 5 9.231 -1.557 1.768 1.00 0.61 O ATOM 129 O5' DT A 5 8.909 -1.965 4.197 1.00 0.28 O ATOM 130 C5' DT A 5 9.129 -1.776 5.602 1.00 0.21 C ATOM 131 C4' DT A 5 7.993 -2.352 6.436 1.00 0.24 C ATOM 132 O4' DT A 5 6.752 -1.769 5.982 1.00 0.26 O ATOM 133 C3' DT A 5 7.878 -3.883 6.347 1.00 0.34 C ATOM 134 O3' DT A 5 7.655 -4.515 7.616 1.00 0.43 O ATOM 135 C2' DT A 5 6.664 -4.048 5.456 1.00 0.34 C ATOM 136 C1' DT A 5 5.811 -2.826 5.786 1.00 0.26 C ATOM 137 N1 DT A 5 4.881 -2.485 4.682 1.00 0.22 N ATOM 138 C2 DT A 5 3.533 -2.370 4.963 1.00 0.23 C ATOM 139 O2 DT A 5 3.050 -2.528 6.080 1.00 0.27 O ATOM 140 N3 DT A 5 2.720 -2.060 3.898 1.00 0.25 N ATOM 141 C4 DT A 5 3.113 -1.853 2.600 1.00 0.27 C ATOM 142 O4 DT A 5 2.258 -1.591 1.758 1.00 0.30 O ATOM 143 C5 DT A 5 4.538 -1.988 2.391 1.00 0.28 C ATOM 144 C7 DT A 5 5.161 -1.777 1.014 1.00 0.43 C ATOM 145 C6 DT A 5 5.353 -2.293 3.412 1.00 0.25 C ATOM 0 H5' DT A 5 9.231 -0.712 5.814 1.00 0.21 H new ATOM 0 H5'' DT A 5 10.067 -2.250 5.890 1.00 0.21 H new ATOM 0 H4' DT A 5 8.206 -2.110 7.477 1.00 0.24 H new ATOM 0 H3' DT A 5 8.794 -4.346 5.980 1.00 0.34 H new ATOM 0 H2' DT A 5 6.940 -4.072 4.402 1.00 0.34 H new ATOM 0 H2'' DT A 5 6.134 -4.977 5.668 1.00 0.34 H new ATOM 0 H1' DT A 5 5.184 -3.005 6.660 1.00 0.26 H new ATOM 0 H3 DT A 5 1.722 -1.975 4.093 1.00 0.25 H new ATOM 0 H71 DT A 5 4.442 -2.054 0.243 1.00 0.43 H new ATOM 0 H72 DT A 5 5.435 -0.729 0.895 1.00 0.43 H new ATOM 0 H73 DT A 5 6.052 -2.398 0.919 1.00 0.43 H new ATOM 0 H6 DT A 5 6.412 -2.390 3.226 1.00 0.25 H new ATOM 158 P DG A 6 7.742 -6.129 7.760 1.00 0.51 P ATOM 159 OP1 DG A 6 9.169 -6.513 7.670 1.00 0.64 O ATOM 160 OP2 DG A 6 6.769 -6.743 6.833 1.00 0.50 O ATOM 161 O5' DG A 6 7.271 -6.424 9.267 1.00 0.58 O ATOM 162 C5' DG A 6 6.057 -5.970 9.887 1.00 0.51 C ATOM 163 C4' DG A 6 4.805 -6.799 9.601 1.00 0.42 C ATOM 164 O4' DG A 6 4.193 -6.669 8.293 1.00 0.37 O ATOM 165 C3' DG A 6 4.974 -8.304 9.850 1.00 0.47 C ATOM 166 O3' DG A 6 3.884 -8.903 10.574 1.00 0.46 O ATOM 167 C2' DG A 6 4.929 -8.815 8.437 1.00 0.43 C ATOM 168 C1' DG A 6 3.826 -7.986 7.829 1.00 0.36 C ATOM 169 N9 DG A 6 3.770 -8.050 6.364 1.00 0.34 N ATOM 170 C8 DG A 6 4.761 -7.983 5.444 1.00 0.37 C ATOM 171 N7 DG A 6 4.398 -8.047 4.189 1.00 0.38 N ATOM 172 C5 DG A 6 3.009 -8.169 4.306 1.00 0.32 C ATOM 173 C6 DG A 6 2.000 -8.282 3.307 1.00 0.31 C ATOM 174 O6 DG A 6 2.078 -8.304 2.084 1.00 0.36 O ATOM 175 N1 DG A 6 0.751 -8.376 3.858 1.00 0.25 N ATOM 176 C2 DG A 6 0.480 -8.373 5.206 1.00 0.25 C ATOM 177 N2 DG A 6 -0.769 -8.487 5.596 1.00 0.26 N ATOM 178 N3 DG A 6 1.395 -8.270 6.151 1.00 0.27 N ATOM 179 C4 DG A 6 2.634 -8.171 5.628 1.00 0.29 C ATOM 0 H5' DG A 6 5.870 -4.945 9.566 1.00 0.51 H new ATOM 0 H5'' DG A 6 6.212 -5.943 10.966 1.00 0.51 H new ATOM 0 H4' DG A 6 4.137 -6.340 10.329 1.00 0.42 H new ATOM 0 H3' DG A 6 5.862 -8.526 10.443 1.00 0.47 H new ATOM 0 H2' DG A 6 5.878 -8.669 7.922 1.00 0.43 H new ATOM 0 H2'' DG A 6 4.705 -9.881 8.397 1.00 0.43 H new ATOM 0 H1' DG A 6 2.830 -8.321 8.117 1.00 0.36 H new ATOM 0 H8 DG A 6 5.797 -7.882 5.731 1.00 0.37 H new ATOM 0 H1 DG A 6 -0.040 -8.454 3.219 1.00 0.25 H new ATOM 0 H21 DG A 6 -0.995 -8.487 6.591 1.00 0.26 H new ATOM 0 H22 DG A 6 -1.513 -8.575 4.904 1.00 0.26 H new ATOM 191 P DT A 7 3.318 -8.390 11.993 1.00 0.48 P ATOM 192 OP1 DT A 7 2.443 -7.213 11.743 1.00 0.49 O ATOM 193 OP2 DT A 7 4.454 -8.282 12.934 1.00 0.58 O ATOM 194 O5' DT A 7 2.393 -9.616 12.486 1.00 0.44 O ATOM 195 C5' DT A 7 0.958 -9.581 12.453 1.00 0.43 C ATOM 196 C4' DT A 7 0.349 -10.500 11.397 1.00 0.42 C ATOM 197 O4' DT A 7 0.725 -10.205 10.030 1.00 0.39 O ATOM 198 C3' DT A 7 0.637 -11.989 11.635 1.00 0.43 C ATOM 199 O3' DT A 7 -0.632 -12.611 11.871 1.00 0.50 O ATOM 200 C2' DT A 7 1.234 -12.397 10.289 1.00 0.41 C ATOM 201 C1' DT A 7 0.571 -11.443 9.324 1.00 0.37 C ATOM 202 N1 DT A 7 1.133 -11.439 7.958 1.00 0.33 N ATOM 203 C2 DT A 7 0.223 -11.317 6.923 1.00 0.28 C ATOM 204 O2 DT A 7 -0.987 -11.204 7.090 1.00 0.29 O ATOM 205 N3 DT A 7 0.739 -11.327 5.660 1.00 0.32 N ATOM 206 C4 DT A 7 2.060 -11.446 5.325 1.00 0.37 C ATOM 207 O4 DT A 7 2.376 -11.430 4.142 1.00 0.42 O ATOM 208 C5 DT A 7 2.953 -11.572 6.452 1.00 0.41 C ATOM 209 C7 DT A 7 4.454 -11.738 6.221 1.00 0.50 C ATOM 210 C6 DT A 7 2.476 -11.562 7.710 1.00 0.40 C ATOM 0 H5' DT A 7 0.632 -8.558 12.264 1.00 0.43 H new ATOM 0 H5'' DT A 7 0.573 -9.862 13.433 1.00 0.43 H new ATOM 0 H4' DT A 7 -0.714 -10.294 11.519 1.00 0.42 H new ATOM 0 H3' DT A 7 1.290 -12.246 12.469 1.00 0.43 H new ATOM 0 H2' DT A 7 2.319 -12.292 10.280 1.00 0.41 H new ATOM 0 H2'' DT A 7 1.012 -13.436 10.047 1.00 0.41 H new ATOM 0 H1' DT A 7 -0.462 -11.704 9.094 1.00 0.37 H new ATOM 0 H3 DT A 7 0.075 -11.237 4.891 1.00 0.32 H new ATOM 0 H71 DT A 7 4.622 -12.254 5.276 1.00 0.50 H new ATOM 0 H72 DT A 7 4.928 -10.757 6.188 1.00 0.50 H new ATOM 0 H73 DT A 7 4.885 -12.322 7.034 1.00 0.50 H new ATOM 0 H6 DT A 7 3.163 -11.652 8.539 1.00 0.40 H new ATOM 223 P DC A 8 -0.799 -14.179 12.196 1.00 0.57 P ATOM 224 OP1 DC A 8 -0.124 -14.445 13.486 1.00 0.72 O ATOM 225 OP2 DC A 8 -0.427 -14.959 10.994 1.00 0.49 O ATOM 226 O5' DC A 8 -2.381 -14.358 12.437 1.00 0.64 O ATOM 227 C5' DC A 8 -3.409 -13.765 11.627 1.00 0.61 C ATOM 228 C4' DC A 8 -3.464 -14.251 10.165 1.00 0.51 C ATOM 229 O4' DC A 8 -2.412 -13.799 9.293 1.00 0.44 O ATOM 230 C3' DC A 8 -3.407 -15.771 10.069 1.00 0.49 C ATOM 231 O3' DC A 8 -4.631 -16.457 10.337 1.00 0.65 O ATOM 232 C2' DC A 8 -2.912 -15.985 8.633 1.00 0.46 C ATOM 233 C1' DC A 8 -2.491 -14.632 8.117 1.00 0.43 C ATOM 234 N1 DC A 8 -1.186 -14.697 7.437 1.00 0.38 N ATOM 235 C2 DC A 8 -1.106 -14.371 6.088 1.00 0.38 C ATOM 236 O2 DC A 8 -2.086 -14.038 5.426 1.00 0.42 O ATOM 237 N3 DC A 8 0.101 -14.436 5.483 1.00 0.34 N ATOM 238 C4 DC A 8 1.187 -14.803 6.162 1.00 0.34 C ATOM 239 N4 DC A 8 2.334 -14.850 5.496 1.00 0.38 N ATOM 240 C5 DC A 8 1.122 -15.142 7.556 1.00 0.36 C ATOM 241 C6 DC A 8 -0.086 -15.074 8.142 1.00 0.36 C ATOM 0 H5' DC A 8 -3.269 -12.684 11.627 1.00 0.61 H new ATOM 0 H5'' DC A 8 -4.374 -13.962 12.094 1.00 0.61 H new ATOM 0 H4' DC A 8 -4.409 -13.818 9.837 1.00 0.51 H new ATOM 0 H3' DC A 8 -2.764 -16.196 10.840 1.00 0.49 H new ATOM 0 H2' DC A 8 -2.077 -16.685 8.611 1.00 0.46 H new ATOM 0 H2'' DC A 8 -3.700 -16.409 8.011 1.00 0.46 H new ATOM 0 HO3' DC A 8 -4.491 -17.423 10.248 1.00 0.65 H new ATOM 0 H1' DC A 8 -3.193 -14.245 7.379 1.00 0.43 H new ATOM 0 H41 DC A 8 3.191 -15.126 5.975 1.00 0.38 H new ATOM 0 H42 DC A 8 2.358 -14.610 4.505 1.00 0.38 H new ATOM 0 H5 DC A 8 2.002 -15.438 8.108 1.00 0.36 H new ATOM 0 H6 DC A 8 -0.184 -15.323 9.188 1.00 0.36 H new TER 254 DC A 8 ATOM 255 O5' DG B 1 1.090 -14.444 -5.183 1.00 0.68 O ATOM 256 C5' DG B 1 -0.155 -15.027 -5.570 1.00 0.69 C ATOM 257 C4' DG B 1 -1.292 -14.595 -4.640 1.00 0.62 C ATOM 258 O4' DG B 1 -1.044 -15.106 -3.320 1.00 0.59 O ATOM 259 C3' DG B 1 -1.536 -13.093 -4.563 1.00 0.55 C ATOM 260 O3' DG B 1 -2.955 -12.865 -4.577 1.00 0.55 O ATOM 261 C2' DG B 1 -0.844 -12.818 -3.233 1.00 0.48 C ATOM 262 C1' DG B 1 -1.193 -14.034 -2.395 1.00 0.48 C ATOM 263 N9 DG B 1 -0.197 -14.221 -1.336 1.00 0.48 N ATOM 264 C8 DG B 1 1.137 -14.423 -1.469 1.00 0.56 C ATOM 265 N7 DG B 1 1.812 -14.559 -0.369 1.00 0.61 N ATOM 266 C5 DG B 1 0.813 -14.432 0.601 1.00 0.52 C ATOM 267 C6 DG B 1 0.900 -14.487 2.019 1.00 0.53 C ATOM 268 O6 DG B 1 1.868 -14.652 2.754 1.00 0.63 O ATOM 269 N1 DG B 1 -0.325 -14.316 2.605 1.00 0.46 N ATOM 270 C2 DG B 1 -1.499 -14.114 1.931 1.00 0.43 C ATOM 271 N2 DG B 1 -2.578 -13.962 2.663 1.00 0.47 N ATOM 272 N3 DG B 1 -1.610 -14.060 0.611 1.00 0.44 N ATOM 273 C4 DG B 1 -0.413 -14.227 0.011 1.00 0.46 C ATOM 0 H5' DG B 1 -0.068 -16.113 -5.559 1.00 0.69 H new ATOM 0 H5'' DG B 1 -0.391 -14.737 -6.594 1.00 0.69 H new ATOM 0 H4' DG B 1 -2.200 -15.013 -5.075 1.00 0.62 H new ATOM 0 H3' DG B 1 -1.167 -12.454 -5.365 1.00 0.55 H new ATOM 0 H2' DG B 1 0.234 -12.711 -3.356 1.00 0.48 H new ATOM 0 H2'' DG B 1 -1.206 -11.897 -2.775 1.00 0.48 H new ATOM 0 HO5' DG B 1 1.795 -14.741 -5.796 1.00 0.68 H new ATOM 0 H1' DG B 1 -2.176 -13.957 -1.930 1.00 0.48 H new ATOM 0 H8 DG B 1 1.612 -14.468 -2.438 1.00 0.56 H new ATOM 0 H1 DG B 1 -0.366 -14.341 3.624 1.00 0.46 H new ATOM 0 H21 DG B 1 -3.481 -13.808 2.214 1.00 0.47 H new ATOM 0 H22 DG B 1 -2.513 -13.998 3.680 1.00 0.47 H new ATOM 286 P DA B 2 -3.709 -11.600 -3.914 1.00 0.46 P ATOM 287 OP1 DA B 2 -4.969 -11.377 -4.657 1.00 0.53 O ATOM 288 OP2 DA B 2 -2.741 -10.493 -3.744 1.00 0.53 O ATOM 289 O5' DA B 2 -4.053 -12.161 -2.442 1.00 0.46 O ATOM 290 C5' DA B 2 -5.249 -12.887 -2.129 1.00 0.42 C ATOM 291 C4' DA B 2 -6.142 -12.141 -1.137 1.00 0.39 C ATOM 292 O4' DA B 2 -5.582 -12.009 0.177 1.00 0.36 O ATOM 293 C3' DA B 2 -6.552 -10.747 -1.577 1.00 0.43 C ATOM 294 O3' DA B 2 -7.908 -10.491 -1.206 1.00 0.47 O ATOM 295 C2' DA B 2 -5.542 -9.883 -0.859 1.00 0.42 C ATOM 296 C1' DA B 2 -5.106 -10.666 0.359 1.00 0.35 C ATOM 297 N9 DA B 2 -3.630 -10.768 0.504 1.00 0.30 N ATOM 298 C8 DA B 2 -2.668 -10.808 -0.464 1.00 0.31 C ATOM 299 N7 DA B 2 -1.441 -10.912 -0.074 1.00 0.32 N ATOM 300 C5 DA B 2 -1.588 -10.948 1.306 1.00 0.29 C ATOM 301 C6 DA B 2 -0.652 -11.052 2.335 1.00 0.30 C ATOM 302 N6 DA B 2 0.654 -11.135 2.119 1.00 0.34 N ATOM 303 N1 DA B 2 -1.106 -11.061 3.592 1.00 0.31 N ATOM 304 C2 DA B 2 -2.412 -10.971 3.813 1.00 0.30 C ATOM 305 N3 DA B 2 -3.397 -10.868 2.932 1.00 0.29 N ATOM 306 C4 DA B 2 -2.909 -10.862 1.672 1.00 0.28 C ATOM 0 H5' DA B 2 -4.982 -13.859 -1.714 1.00 0.42 H new ATOM 0 H5'' DA B 2 -5.807 -13.075 -3.046 1.00 0.42 H new ATOM 0 H4' DA B 2 -7.017 -12.790 -1.109 1.00 0.39 H new ATOM 0 H3' DA B 2 -6.541 -10.572 -2.653 1.00 0.43 H new ATOM 0 H2' DA B 2 -4.692 -9.661 -1.504 1.00 0.42 H new ATOM 0 H2'' DA B 2 -5.982 -8.928 -0.571 1.00 0.42 H new ATOM 0 H1' DA B 2 -5.499 -10.155 1.238 1.00 0.35 H new ATOM 0 H8 DA B 2 -2.922 -10.755 -1.512 1.00 0.31 H new ATOM 0 H61 DA B 2 1.298 -11.210 2.907 1.00 0.34 H new ATOM 0 H62 DA B 2 1.015 -11.124 1.165 1.00 0.34 H new ATOM 0 H2 DA B 2 -2.712 -10.983 4.850 1.00 0.30 H new ATOM 318 P DC B 3 -8.592 -9.049 -1.397 1.00 0.50 P ATOM 319 OP1 DC B 3 -10.013 -9.168 -1.006 1.00 0.57 O ATOM 320 OP2 DC B 3 -8.228 -8.510 -2.728 1.00 0.58 O ATOM 321 O5' DC B 3 -7.805 -8.202 -0.279 1.00 0.50 O ATOM 322 C5' DC B 3 -7.939 -8.524 1.111 1.00 0.44 C ATOM 323 C4' DC B 3 -6.977 -7.754 1.983 1.00 0.40 C ATOM 324 O4' DC B 3 -5.655 -8.260 1.986 1.00 0.31 O ATOM 325 C3' DC B 3 -6.927 -6.289 1.931 1.00 0.46 C ATOM 326 O3' DC B 3 -7.972 -5.682 2.684 1.00 0.61 O ATOM 327 C2' DC B 3 -5.516 -5.928 2.363 1.00 0.35 C ATOM 328 C1' DC B 3 -4.835 -7.269 2.595 1.00 0.27 C ATOM 329 N1 DC B 3 -3.560 -7.455 1.871 1.00 0.25 N ATOM 330 C2 DC B 3 -2.453 -7.828 2.594 1.00 0.26 C ATOM 331 O2 DC B 3 -2.521 -7.984 3.804 1.00 0.27 O ATOM 332 N3 DC B 3 -1.281 -8.031 1.949 1.00 0.30 N ATOM 333 C4 DC B 3 -1.198 -7.871 0.630 1.00 0.33 C ATOM 334 N4 DC B 3 -0.018 -8.086 0.059 1.00 0.44 N ATOM 335 C5 DC B 3 -2.337 -7.481 -0.148 1.00 0.35 C ATOM 336 C6 DC B 3 -3.500 -7.284 0.518 1.00 0.29 C ATOM 0 H5' DC B 3 -7.773 -9.592 1.250 1.00 0.44 H new ATOM 0 H5'' DC B 3 -8.960 -8.315 1.431 1.00 0.44 H new ATOM 0 H4' DC B 3 -7.487 -7.956 2.925 1.00 0.40 H new ATOM 0 H3' DC B 3 -7.116 -5.895 0.932 1.00 0.46 H new ATOM 0 H2' DC B 3 -5.002 -5.349 1.596 1.00 0.35 H new ATOM 0 H2'' DC B 3 -5.521 -5.323 3.270 1.00 0.35 H new ATOM 0 H1' DC B 3 -4.673 -7.328 3.671 1.00 0.27 H new ATOM 0 H41 DC B 3 0.089 -7.974 -0.949 1.00 0.44 H new ATOM 0 H42 DC B 3 0.781 -8.363 0.629 1.00 0.44 H new ATOM 0 H5 DC B 3 -2.271 -7.350 -1.218 1.00 0.35 H new ATOM 0 H6 DC B 3 -4.386 -6.990 -0.025 1.00 0.29 H new ATOM 348 P DA B 4 -8.345 -4.131 2.487 1.00 0.75 P ATOM 349 OP1 DA B 4 -9.803 -3.996 2.703 1.00 1.01 O ATOM 350 OP2 DA B 4 -7.736 -3.638 1.231 1.00 0.87 O ATOM 351 O5' DA B 4 -7.569 -3.440 3.713 1.00 0.61 O ATOM 352 C5' DA B 4 -8.009 -3.631 5.063 1.00 0.59 C ATOM 353 C4' DA B 4 -7.075 -2.957 6.051 1.00 0.45 C ATOM 354 O4' DA B 4 -5.764 -3.530 5.951 1.00 0.31 O ATOM 355 C3' DA B 4 -7.008 -1.457 5.809 1.00 0.48 C ATOM 356 O3' DA B 4 -7.924 -0.784 6.680 1.00 0.57 O ATOM 357 C2' DA B 4 -5.559 -1.186 6.201 1.00 0.38 C ATOM 358 C1' DA B 4 -4.807 -2.474 5.939 1.00 0.32 C ATOM 359 N9 DA B 4 -4.017 -2.425 4.702 1.00 0.31 N ATOM 360 C8 DA B 4 -4.434 -2.474 3.407 1.00 0.32 C ATOM 361 N7 DA B 4 -3.490 -2.383 2.512 1.00 0.32 N ATOM 362 C5 DA B 4 -2.336 -2.266 3.298 1.00 0.30 C ATOM 363 C6 DA B 4 -0.970 -2.132 2.990 1.00 0.30 C ATOM 364 N6 DA B 4 -0.485 -2.083 1.757 1.00 0.37 N ATOM 365 N1 DA B 4 -0.101 -2.045 4.009 1.00 0.30 N ATOM 366 C2 DA B 4 -0.543 -2.086 5.258 1.00 0.28 C ATOM 367 N3 DA B 4 -1.795 -2.205 5.675 1.00 0.28 N ATOM 368 C4 DA B 4 -2.652 -2.292 4.628 1.00 0.28 C ATOM 0 H5' DA B 4 -8.064 -4.697 5.282 1.00 0.59 H new ATOM 0 H5'' DA B 4 -9.016 -3.229 5.179 1.00 0.59 H new ATOM 0 H4' DA B 4 -7.466 -3.120 7.055 1.00 0.45 H new ATOM 0 H3' DA B 4 -7.269 -1.125 4.804 1.00 0.48 H new ATOM 0 H2' DA B 4 -5.143 -0.366 5.616 1.00 0.38 H new ATOM 0 H2'' DA B 4 -5.486 -0.898 7.250 1.00 0.38 H new ATOM 0 H1' DA B 4 -4.064 -2.643 6.718 1.00 0.32 H new ATOM 0 H8 DA B 4 -5.475 -2.581 3.139 1.00 0.32 H new ATOM 0 H61 DA B 4 0.519 -1.985 1.607 1.00 0.37 H new ATOM 0 H62 DA B 4 -1.116 -2.144 0.958 1.00 0.37 H new ATOM 0 H2 DA B 4 0.209 -2.014 6.030 1.00 0.28 H new ATOM 380 P DT B 5 -8.375 0.750 6.447 1.00 0.63 P ATOM 381 OP1 DT B 5 -9.597 0.985 7.249 1.00 0.83 O ATOM 382 OP2 DT B 5 -8.384 1.024 4.992 1.00 0.77 O ATOM 383 O5' DT B 5 -7.183 1.625 7.082 1.00 0.43 O ATOM 384 C5' DT B 5 -6.861 1.556 8.477 1.00 0.36 C ATOM 385 C4' DT B 5 -5.508 2.182 8.778 1.00 0.27 C ATOM 386 O4' DT B 5 -4.516 1.546 7.943 1.00 0.28 O ATOM 387 C3' DT B 5 -5.465 3.696 8.523 1.00 0.30 C ATOM 388 O3' DT B 5 -4.800 4.424 9.563 1.00 0.38 O ATOM 389 C2' DT B 5 -4.671 3.771 7.234 1.00 0.32 C ATOM 390 C1' DT B 5 -3.734 2.569 7.325 1.00 0.28 C ATOM 391 N1 DT B 5 -3.278 2.122 5.985 1.00 0.29 N ATOM 392 C2 DT B 5 -1.921 2.010 5.749 1.00 0.30 C ATOM 393 O2 DT B 5 -1.058 2.251 6.588 1.00 0.33 O ATOM 394 N3 DT B 5 -1.559 1.599 4.487 1.00 0.33 N ATOM 395 C4 DT B 5 -2.405 1.292 3.452 1.00 0.36 C ATOM 396 O4 DT B 5 -1.921 0.949 2.376 1.00 0.39 O ATOM 397 C5 DT B 5 -3.806 1.433 3.782 1.00 0.36 C ATOM 398 C7 DT B 5 -4.895 1.121 2.761 1.00 0.47 C ATOM 399 C6 DT B 5 -4.187 1.833 5.004 1.00 0.33 C ATOM 0 H5' DT B 5 -6.859 0.514 8.798 1.00 0.36 H new ATOM 0 H5'' DT B 5 -7.633 2.065 9.054 1.00 0.36 H new ATOM 0 H4' DT B 5 -5.311 2.031 9.839 1.00 0.27 H new ATOM 0 H3' DT B 5 -6.460 4.140 8.480 1.00 0.30 H new ATOM 0 H2' DT B 5 -5.318 3.710 6.359 1.00 0.32 H new ATOM 0 H2'' DT B 5 -4.118 4.707 7.157 1.00 0.32 H new ATOM 0 H1' DT B 5 -2.831 2.812 7.885 1.00 0.28 H new ATOM 0 H3 DT B 5 -0.560 1.514 4.302 1.00 0.33 H new ATOM 0 H71 DT B 5 -4.521 1.322 1.757 1.00 0.47 H new ATOM 0 H72 DT B 5 -5.177 0.071 2.839 1.00 0.47 H new ATOM 0 H73 DT B 5 -5.766 1.746 2.956 1.00 0.47 H new ATOM 0 H6 DT B 5 -5.241 1.930 5.220 1.00 0.33 H new ATOM 412 P DG B 6 -4.888 6.037 9.600 1.00 0.47 P ATOM 413 OP1 DG B 6 -6.264 6.413 9.996 1.00 0.58 O ATOM 414 OP2 DG B 6 -4.324 6.568 8.342 1.00 0.53 O ATOM 415 O5' DG B 6 -3.920 6.442 10.815 1.00 0.49 O ATOM 416 C5' DG B 6 -2.557 6.027 10.990 1.00 0.44 C ATOM 417 C4' DG B 6 -1.509 6.823 10.213 1.00 0.40 C ATOM 418 O4' DG B 6 -1.400 6.586 8.786 1.00 0.37 O ATOM 419 C3' DG B 6 -1.616 8.342 10.392 1.00 0.41 C ATOM 420 O3' DG B 6 -0.353 8.984 10.644 1.00 0.44 O ATOM 421 C2' DG B 6 -2.086 8.740 9.023 1.00 0.40 C ATOM 422 C1' DG B 6 -1.253 7.861 8.125 1.00 0.37 C ATOM 423 N9 DG B 6 -1.724 7.809 6.735 1.00 0.38 N ATOM 424 C8 DG B 6 -2.976 7.678 6.237 1.00 0.41 C ATOM 425 N7 DG B 6 -3.087 7.641 4.935 1.00 0.42 N ATOM 426 C5 DG B 6 -1.750 7.763 4.536 1.00 0.38 C ATOM 427 C6 DG B 6 -1.166 7.791 3.237 1.00 0.39 C ATOM 428 O6 DG B 6 -1.677 7.720 2.125 1.00 0.42 O ATOM 429 N1 DG B 6 0.194 7.920 3.298 1.00 0.36 N ATOM 430 C2 DG B 6 0.929 8.020 4.456 1.00 0.36 C ATOM 431 N2 DG B 6 2.231 8.157 4.366 1.00 0.36 N ATOM 432 N3 DG B 6 0.413 7.998 5.672 1.00 0.36 N ATOM 433 C4 DG B 6 -0.928 7.866 5.635 1.00 0.36 C ATOM 0 H5' DG B 6 -2.477 4.979 10.700 1.00 0.44 H new ATOM 0 H5'' DG B 6 -2.314 6.084 12.051 1.00 0.44 H new ATOM 0 H4' DG B 6 -0.613 6.419 10.685 1.00 0.40 H new ATOM 0 H3' DG B 6 -2.245 8.619 11.238 1.00 0.41 H new ATOM 0 H2' DG B 6 -3.153 8.560 8.892 1.00 0.40 H new ATOM 0 H2'' DG B 6 -1.915 9.799 8.827 1.00 0.40 H new ATOM 0 H1' DG B 6 -0.228 8.214 8.013 1.00 0.37 H new ATOM 0 H8 DG B 6 -3.839 7.608 6.882 1.00 0.41 H new ATOM 0 H1 DG B 6 0.704 7.944 2.415 1.00 0.36 H new ATOM 0 H21 DG B 6 2.796 8.233 5.212 1.00 0.36 H new ATOM 0 H22 DG B 6 2.678 8.187 3.450 1.00 0.36 H new ATOM 445 P DT B 7 0.659 8.558 11.825 1.00 0.49 P ATOM 446 OP1 DT B 7 1.408 7.354 11.372 1.00 0.52 O ATOM 447 OP2 DT B 7 -0.082 8.533 13.106 1.00 0.61 O ATOM 448 O5' DT B 7 1.681 9.803 11.881 1.00 0.45 O ATOM 449 C5' DT B 7 3.013 9.744 11.350 1.00 0.43 C ATOM 450 C4' DT B 7 3.204 10.579 10.086 1.00 0.42 C ATOM 451 O4' DT B 7 2.375 10.195 8.963 1.00 0.38 O ATOM 452 C3' DT B 7 2.997 12.084 10.306 1.00 0.46 C ATOM 453 O3' DT B 7 4.263 12.701 10.043 1.00 0.53 O ATOM 454 C2' DT B 7 1.964 12.407 9.227 1.00 0.42 C ATOM 455 C1' DT B 7 2.257 11.378 8.164 1.00 0.39 C ATOM 456 N1 DT B 7 1.253 11.285 7.083 1.00 0.35 N ATOM 457 C2 DT B 7 1.746 11.078 5.807 1.00 0.35 C ATOM 458 O2 DT B 7 2.939 10.960 5.546 1.00 0.40 O ATOM 459 N3 DT B 7 0.821 11.007 4.807 1.00 0.39 N ATOM 460 C4 DT B 7 -0.536 11.121 4.946 1.00 0.40 C ATOM 461 O4 DT B 7 -1.244 11.026 3.952 1.00 0.44 O ATOM 462 C5 DT B 7 -0.982 11.338 6.304 1.00 0.39 C ATOM 463 C7 DT B 7 -2.474 11.509 6.598 1.00 0.46 C ATOM 464 C6 DT B 7 -0.094 11.410 7.311 1.00 0.37 C ATOM 0 H5' DT B 7 3.262 8.706 11.131 1.00 0.43 H new ATOM 0 H5'' DT B 7 3.714 10.086 12.111 1.00 0.43 H new ATOM 0 H4' DT B 7 4.245 10.368 9.842 1.00 0.42 H new ATOM 0 H3' DT B 7 2.669 12.408 11.294 1.00 0.46 H new ATOM 0 H2' DT B 7 0.945 12.320 9.604 1.00 0.42 H new ATOM 0 H2'' DT B 7 2.078 13.423 8.849 1.00 0.42 H new ATOM 0 H1' DT B 7 3.141 11.609 7.570 1.00 0.39 H new ATOM 0 H3 DT B 7 1.175 10.854 3.863 1.00 0.39 H new ATOM 0 H71 DT B 7 -2.965 11.960 5.736 1.00 0.46 H new ATOM 0 H72 DT B 7 -2.919 10.535 6.801 1.00 0.46 H new ATOM 0 H73 DT B 7 -2.602 12.154 7.467 1.00 0.46 H new ATOM 0 H6 DT B 7 -0.448 11.569 8.319 1.00 0.37 H new ATOM 477 P DC B 8 4.535 14.281 10.172 1.00 0.65 P ATOM 478 OP1 DC B 8 4.355 14.672 11.588 1.00 0.81 O ATOM 479 OP2 DC B 8 3.782 14.983 9.109 1.00 0.62 O ATOM 480 O5' DC B 8 6.103 14.399 9.836 1.00 0.75 O ATOM 481 C5' DC B 8 6.768 13.689 8.780 1.00 0.72 C ATOM 482 C4' DC B 8 6.320 14.056 7.349 1.00 0.60 C ATOM 483 O4' DC B 8 5.023 13.589 6.939 1.00 0.51 O ATOM 484 C3' DC B 8 6.261 15.567 7.138 1.00 0.62 C ATOM 485 O3' DC B 8 7.513 16.212 6.897 1.00 0.76 O ATOM 486 C2' DC B 8 5.298 15.692 5.952 1.00 0.51 C ATOM 487 C1' DC B 8 4.701 14.323 5.738 1.00 0.47 C ATOM 488 N1 DC B 8 3.243 14.396 5.547 1.00 0.35 N ATOM 489 C2 DC B 8 2.692 13.970 4.345 1.00 0.34 C ATOM 490 O2 DC B 8 3.372 13.537 3.417 1.00 0.43 O ATOM 491 N3 DC B 8 1.350 14.047 4.192 1.00 0.28 N ATOM 492 C4 DC B 8 0.578 14.519 5.170 1.00 0.27 C ATOM 493 N4 DC B 8 -0.729 14.572 4.944 1.00 0.31 N ATOM 494 C5 DC B 8 1.131 14.961 6.418 1.00 0.33 C ATOM 495 C6 DC B 8 2.467 14.880 6.554 1.00 0.36 C ATOM 0 H5' DC B 8 6.611 12.621 8.929 1.00 0.72 H new ATOM 0 H5'' DC B 8 7.840 13.868 8.864 1.00 0.72 H new ATOM 0 H4' DC B 8 7.085 13.554 6.757 1.00 0.60 H new ATOM 0 H3' DC B 8 5.938 16.081 8.043 1.00 0.62 H new ATOM 0 H2' DC B 8 4.520 16.426 6.160 1.00 0.51 H new ATOM 0 H2'' DC B 8 5.824 16.030 5.059 1.00 0.51 H new ATOM 0 HO3' DC B 8 7.367 17.173 6.774 1.00 0.76 H new ATOM 0 H1' DC B 8 5.096 13.846 4.841 1.00 0.47 H new ATOM 0 H41 DC B 8 -1.357 14.926 5.665 1.00 0.31 H new ATOM 0 H42 DC B 8 -1.105 14.258 4.049 1.00 0.31 H new ATOM 0 H5 DC B 8 0.504 15.341 7.211 1.00 0.33 H new ATOM 0 H6 DC B 8 2.929 15.203 7.475 1.00 0.36 H new TER 508 DC B 8 HETATM 509 C1 MNG B 9 -2.830 4.683 2.697 1.00 0.41 C HETATM 510 C2 MNG B 9 -3.010 4.593 1.308 1.00 0.45 C HETATM 511 C3 MNG B 9 -1.906 4.547 0.481 1.00 0.42 C HETATM 512 C4 MNG B 9 -0.646 4.587 0.972 1.00 0.38 C HETATM 513 C5 MNG B 9 0.914 4.727 2.837 1.00 0.33 C HETATM 514 C6 MNG B 9 2.513 4.882 4.742 1.00 0.33 C HETATM 515 C7 MNG B 9 4.177 5.057 6.769 1.00 0.40 C HETATM 516 C8 MNG B 9 4.125 4.908 8.299 1.00 0.41 C HETATM 517 C9 MNG B 9 3.016 5.721 8.942 1.00 0.41 C HETATM 518 C10 MNG B 9 1.705 5.145 8.517 1.00 0.38 C HETATM 519 C11 MNG B 9 0.353 4.973 6.461 1.00 0.32 C HETATM 520 C12 MNG B 9 -1.247 4.825 4.615 1.00 0.35 C HETATM 521 C16 MNG B 9 -1.515 4.730 3.241 1.00 0.37 C HETATM 522 C17 MNG B 9 -0.403 4.680 2.350 1.00 0.36 C HETATM 523 C18 MNG B 9 1.191 4.825 4.212 1.00 0.31 C HETATM 524 C19 MNG B 9 2.736 4.986 6.144 1.00 0.36 C HETATM 525 C20 MNG B 9 1.617 5.030 6.988 1.00 0.35 C HETATM 526 C21 MNG B 9 0.084 4.872 5.101 1.00 0.31 C HETATM 527 C1' MNG B 9 -5.262 4.799 2.995 1.00 0.51 C HETATM 528 C2' MNG B 9 -5.732 6.279 2.776 1.00 0.55 C HETATM 529 C3' MNG B 9 -4.872 6.925 1.616 1.00 0.54 C HETATM 530 C4' MNG B 9 -4.857 5.985 0.306 1.00 0.55 C HETATM 531 C5' MNG B 9 -4.443 4.550 0.739 1.00 0.51 C HETATM 532 C5M MNG B 9 -4.559 3.582 -0.455 1.00 0.55 C HETATM 533 C1M MNG B 9 -6.787 8.641 1.445 1.00 0.71 C HETATM 534 C2M MNG B 9 -4.380 9.398 1.308 1.00 0.64 C HETATM 535 C7M MNG B 9 6.420 4.114 6.614 1.00 0.49 C HETATM 536 C9M MNG B 9 3.109 7.199 8.537 1.00 0.45 C HETATM 537 O1 MNG B 9 -3.941 4.731 3.535 1.00 0.44 O HETATM 538 O4 MNG B 9 0.363 4.534 0.039 1.00 0.38 O HETATM 539 O5 MNG B 9 1.787 4.676 1.963 1.00 0.33 O HETATM 540 O6 MNG B 9 3.554 4.834 3.833 1.00 0.34 O HETATM 541 O7 MNG B 9 5.037 4.042 6.227 1.00 0.43 O HETATM 542 O9 MNG B 9 3.118 5.679 10.339 1.00 0.45 O HETATM 543 O12 MNG B 9 -2.176 4.869 5.419 1.00 0.40 O HETATM 544 O1' MNG B 9 -5.350 4.092 1.749 1.00 0.53 O HETATM 545 O2' MNG B 9 -5.636 7.052 3.970 1.00 0.55 O HETATM 546 O4' MNG B 9 -3.968 6.496 -0.680 1.00 0.55 O HETATM 547 N1 MNG B 9 -5.358 8.284 1.203 1.00 0.62 N HETATM 0 HO4' MNG B 9 -4.198 6.119 -1.555 1.00 0.55 H new HETATM 0 HO2' MNG B 9 -4.701 7.091 4.260 1.00 0.55 H new HETATM 0 H9M3 MNG B 9 4.069 7.604 8.857 1.00 0.45 H new HETATM 0 H9M2 MNG B 9 3.022 7.286 7.454 1.00 0.45 H new HETATM 0 H9M1 MNG B 9 2.303 7.758 9.012 1.00 0.45 H new HETATM 0 H7M3 MNG B 9 6.839 5.068 6.293 1.00 0.49 H new HETATM 0 H7M2 MNG B 9 6.499 4.030 7.698 1.00 0.49 H new HETATM 0 H7M1 MNG B 9 6.972 3.299 6.145 1.00 0.49 H new HETATM 0 H5M3 MNG B 9 -3.886 3.903 -1.250 1.00 0.55 H new HETATM 0 H5M2 MNG B 9 -4.289 2.576 -0.135 1.00 0.55 H new HETATM 0 H5M1 MNG B 9 -5.584 3.582 -0.825 1.00 0.55 H new HETATM 0 H2M3 MNG B 9 -4.055 9.500 2.343 1.00 0.64 H new HETATM 0 H2M2 MNG B 9 -3.518 9.186 0.676 1.00 0.64 H new HETATM 0 H2M1 MNG B 9 -4.849 10.326 0.982 1.00 0.64 H new HETATM 0 H1M3 MNG B 9 -7.432 7.944 0.910 1.00 0.71 H new HETATM 0 H1M2 MNG B 9 -7.000 8.586 2.513 1.00 0.71 H new HETATM 0 H1M1 MNG B 9 -6.974 9.654 1.090 1.00 0.71 H new HETATM 0 H102 MNG B 9 1.575 4.160 8.966 1.00 0.38 H new HETATM 0 H101 MNG B 9 0.893 5.773 8.884 1.00 0.38 H new HETATM 0 HO9 MNG B 9 2.360 6.156 10.737 1.00 0.45 H new HETATM 0 HO6 MNG B 9 3.818 3.902 3.687 1.00 0.34 H new HETATM 0 HO4 MNG B 9 0.967 5.295 0.167 1.00 0.38 H new HETATM 0 H82 MNG B 9 3.988 3.856 8.551 1.00 0.41 H new HETATM 0 H81 MNG B 9 5.082 5.215 8.720 1.00 0.41 H new HETATM 0 H7 MNG B 9 4.583 6.036 6.515 1.00 0.40 H new HETATM 0 H4' MNG B 9 -5.850 5.963 -0.142 1.00 0.55 H new HETATM 0 H3' MNG B 9 -3.869 7.026 2.030 1.00 0.54 H new HETATM 0 H3 MNG B 9 -2.053 4.477 -0.597 1.00 0.42 H new HETATM 0 H2' MNG B 9 -6.785 6.271 2.494 1.00 0.55 H new HETATM 0 H11 MNG B 9 -0.491 5.009 7.149 1.00 0.32 H new HETATM 0 H1' MNG B 9 -5.918 4.329 3.728 1.00 0.51 H new HETATM 579 C1 MNG A 9 3.325 -5.266 1.975 1.00 0.32 C HETATM 580 C2 MNG A 9 2.991 -5.275 0.612 1.00 0.37 C HETATM 581 C3 MNG A 9 1.663 -5.257 0.236 1.00 0.34 C HETATM 582 C4 MNG A 9 0.665 -5.231 1.150 1.00 0.29 C HETATM 583 C5 MNG A 9 -0.115 -5.202 3.457 1.00 0.20 C HETATM 584 C6 MNG A 9 -0.917 -5.186 5.816 1.00 0.19 C HETATM 585 C7 MNG A 9 -1.737 -5.179 8.314 1.00 0.29 C HETATM 586 C8 MNG A 9 -1.133 -4.922 9.703 1.00 0.33 C HETATM 587 C9 MNG A 9 0.131 -5.720 9.962 1.00 0.34 C HETATM 588 C10 MNG A 9 1.201 -5.209 9.054 1.00 0.31 C HETATM 589 C11 MNG A 9 1.717 -5.215 6.642 1.00 0.22 C HETATM 590 C12 MNG A 9 2.541 -5.234 4.339 1.00 0.24 C HETATM 591 C16 MNG A 9 2.295 -5.241 2.957 1.00 0.26 C HETATM 592 C17 MNG A 9 0.937 -5.223 2.526 1.00 0.24 C HETATM 593 C18 MNG A 9 0.122 -5.200 4.844 1.00 0.18 C HETATM 594 C19 MNG A 9 -0.619 -5.188 7.207 1.00 0.23 C HETATM 595 C20 MNG A 9 0.730 -5.203 7.592 1.00 0.24 C HETATM 596 C21 MNG A 9 1.476 -5.215 5.274 1.00 0.19 C HETATM 597 C1' MNG A 9 5.702 -5.426 1.386 1.00 0.42 C HETATM 598 C2' MNG A 9 6.061 -6.929 1.122 1.00 0.46 C HETATM 599 C3' MNG A 9 4.841 -7.628 0.398 1.00 0.47 C HETATM 600 C4' MNG A 9 4.353 -6.781 -0.884 1.00 0.48 C HETATM 601 C5' MNG A 9 4.123 -5.309 -0.437 1.00 0.43 C HETATM 602 C5M MNG A 9 3.803 -4.428 -1.658 1.00 0.49 C HETATM 603 C1M MNG A 9 6.562 -9.403 -0.328 1.00 0.60 C HETATM 604 C2M MNG A 9 4.267 -10.103 0.467 1.00 0.57 C HETATM 605 C7M MNG A 9 -3.885 -4.189 8.912 1.00 0.44 C HETATM 606 C9M MNG A 9 -0.100 -7.218 9.726 1.00 0.38 C HETATM 607 O1 MNG A 9 4.665 -5.285 2.357 1.00 0.37 O HETATM 608 O4 MNG A 9 -0.614 -5.215 0.644 1.00 0.29 O HETATM 609 O5 MNG A 9 -1.246 -5.190 2.956 1.00 0.24 O HETATM 610 O6 MNG A 9 -2.218 -5.174 5.344 1.00 0.24 O HETATM 611 O7 MNG A 9 -2.737 -4.183 8.047 1.00 0.35 O HETATM 612 O9 MNG A 9 0.534 -5.579 11.295 1.00 0.39 O HETATM 613 O12 MNG A 9 3.699 -5.248 4.755 1.00 0.29 O HETATM 614 O1' MNG A 9 5.335 -4.808 0.142 1.00 0.44 O HETATM 615 O2' MNG A 9 6.403 -7.617 2.323 1.00 0.47 O HETATM 616 O4' MNG A 9 3.166 -7.336 -1.441 1.00 0.50 O HETATM 617 N1 MNG A 9 5.143 -9.024 -0.063 1.00 0.53 N HETATM 0 HO4' MNG A 9 3.063 -7.028 -2.366 1.00 0.50 H new HETATM 0 HO2' MNG A 9 5.585 -7.910 2.776 1.00 0.47 H new HETATM 0 H9M3 MNG A 9 -0.880 -7.576 10.397 1.00 0.38 H new HETATM 0 H9M2 MNG A 9 -0.408 -7.380 8.693 1.00 0.38 H new HETATM 0 H9M1 MNG A 9 0.824 -7.763 9.920 1.00 0.38 H new HETATM 0 H7M3 MNG A 9 -4.392 -5.151 8.837 1.00 0.44 H new HETATM 0 H7M2 MNG A 9 -3.566 -4.026 9.941 1.00 0.44 H new HETATM 0 H7M1 MNG A 9 -4.569 -3.394 8.614 1.00 0.44 H new HETATM 0 H5M3 MNG A 9 2.888 -4.783 -2.133 1.00 0.49 H new HETATM 0 H5M2 MNG A 9 3.668 -3.395 -1.336 1.00 0.49 H new HETATM 0 H5M1 MNG A 9 4.626 -4.481 -2.371 1.00 0.49 H new HETATM 0 H2M3 MNG A 9 4.337 -10.127 1.554 1.00 0.57 H new HETATM 0 H2M2 MNG A 9 3.235 -9.910 0.174 1.00 0.57 H new HETATM 0 H2M1 MNG A 9 4.586 -11.063 0.061 1.00 0.57 H new HETATM 0 H1M3 MNG A 9 6.970 -8.761 -1.109 1.00 0.60 H new HETATM 0 H1M2 MNG A 9 7.147 -9.282 0.584 1.00 0.60 H new HETATM 0 H1M1 MNG A 9 6.606 -10.443 -0.652 1.00 0.60 H new HETATM 0 H102 MNG A 9 1.484 -4.199 9.352 1.00 0.31 H new HETATM 0 H101 MNG A 9 2.091 -5.831 9.150 1.00 0.31 H new HETATM 0 HO9 MNG A 9 1.138 -6.313 11.534 1.00 0.39 H new HETATM 0 HO6 MNG A 9 -2.519 -4.247 5.239 1.00 0.24 H new HETATM 0 HO4 MNG A 9 -1.171 -5.848 1.143 1.00 0.29 H new HETATM 0 H82 MNG A 9 -0.911 -3.860 9.805 1.00 0.33 H new HETATM 0 H81 MNG A 9 -1.873 -5.168 10.465 1.00 0.33 H new HETATM 0 H7 MNG A 9 -2.206 -6.163 8.297 1.00 0.29 H new HETATM 0 H4' MNG A 9 5.116 -6.816 -1.661 1.00 0.48 H new HETATM 0 H3' MNG A 9 4.056 -7.672 1.153 1.00 0.47 H new HETATM 0 H3 MNG A 9 1.411 -5.264 -0.825 1.00 0.34 H new HETATM 0 H2' MNG A 9 6.942 -6.969 0.481 1.00 0.46 H new HETATM 0 H11 MNG A 9 2.753 -5.225 6.980 1.00 0.22 H new HETATM 0 H1' MNG A 9 6.578 -4.926 1.798 1.00 0.42 H new