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= -0.73 (180deg=-2.09!) USER MOD Single : A 7 DT C7 :methyl -30:sc= -0.719 (180deg=-0.813) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : A 9 MNG O2' : rot 54:sc= 1.33 USER MOD Single : A 9 MNG O4 : rot 136:sc= 0.844 USER MOD Single : A 9 MNG O4' : rot -160:sc= -0.0274 USER MOD Single : A 9 MNG O6 : rot -80:sc= 1.17 USER MOD Single : A 9 MNG O9 : rot 146:sc= 1.17 USER MOD Single : B 1 DG O5' : rot 180:sc= 0 USER MOD Single : B 5 DT C7 :methyl -30:sc= -0.578 (180deg=-1.59!) USER MOD Single : B 7 DT C7 :methyl -30:sc= -0.319 (180deg=-0.819) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 9 MNG O2' : rot 62:sc= 1.35 USER MOD Single : B 9 MNG O4 : rot 127:sc= 0.558 USER MOD Single : B 9 MNG O4' : rot -160:sc= -0.0319 USER MOD Single : B 9 MNG O6 : rot -88:sc= 1.18 USER MOD Single : B 9 MNG O9 : rot -168:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -3.111 13.128 -4.939 1.00 1.80 O ATOM 2 C5' DG A 1 -2.116 13.760 -5.756 1.00 1.77 C ATOM 3 C4' DG A 1 -0.710 13.429 -5.256 1.00 1.46 C ATOM 4 O4' DG A 1 -0.507 13.988 -3.952 1.00 1.34 O ATOM 5 C3' DG A 1 -0.390 11.943 -5.220 1.00 1.28 C ATOM 6 O3' DG A 1 0.969 11.766 -5.620 1.00 1.12 O ATOM 7 C2' DG A 1 -0.563 11.684 -3.727 1.00 1.17 C ATOM 8 C1' DG A 1 -0.031 12.960 -3.085 1.00 1.11 C ATOM 9 N9 DG A 1 -0.671 13.216 -1.785 1.00 1.08 N ATOM 10 C8 DG A 1 -1.998 13.336 -1.502 1.00 1.22 C ATOM 11 N7 DG A 1 -2.305 13.574 -0.265 1.00 1.18 N ATOM 12 C5 DG A 1 -1.049 13.618 0.342 1.00 0.96 C ATOM 13 C6 DG A 1 -0.695 13.844 1.699 1.00 0.80 C ATOM 14 O6 DG A 1 -1.398 14.057 2.682 1.00 0.84 O ATOM 15 N1 DG A 1 0.662 13.805 1.875 1.00 0.65 N ATOM 16 C2 DG A 1 1.582 13.579 0.888 1.00 0.65 C ATOM 17 N2 DG A 1 2.843 13.573 1.253 1.00 0.59 N ATOM 18 N3 DG A 1 1.283 13.365 -0.384 1.00 0.77 N ATOM 19 C4 DG A 1 -0.053 13.399 -0.583 1.00 0.91 C ATOM 0 H5' DG A 1 -2.265 14.840 -5.747 1.00 1.77 H new ATOM 0 H5'' DG A 1 -2.226 13.431 -6.789 1.00 1.77 H new ATOM 0 H4' DG A 1 -0.030 13.873 -5.983 1.00 1.46 H new ATOM 0 H3' DG A 1 -0.986 11.294 -5.861 1.00 1.28 H new ATOM 0 H2' DG A 1 -1.607 11.508 -3.468 1.00 1.17 H new ATOM 0 H2'' DG A 1 -0.002 10.807 -3.403 1.00 1.17 H new ATOM 0 HO5' DG A 1 -4.003 13.355 -5.276 1.00 1.80 H new ATOM 0 H1' DG A 1 1.048 12.904 -2.945 1.00 1.11 H new ATOM 0 H8 DG A 1 -2.754 13.238 -2.267 1.00 1.22 H new ATOM 0 H1 DG A 1 1.016 13.957 2.819 1.00 0.65 H new ATOM 0 H21 DG A 1 3.574 13.410 0.560 1.00 0.59 H new ATOM 0 H22 DG A 1 3.092 13.732 2.229 1.00 0.59 H new ATOM 32 P DA A 2 1.549 10.349 -6.107 1.00 0.87 P ATOM 33 OP1 DA A 2 1.926 10.460 -7.535 1.00 0.96 O ATOM 34 OP2 DA A 2 0.630 9.276 -5.664 1.00 0.89 O ATOM 35 O5' DA A 2 2.883 10.257 -5.215 1.00 0.70 O ATOM 36 C5' DA A 2 4.065 11.033 -5.478 1.00 0.71 C ATOM 37 C4' DA A 2 5.246 10.591 -4.609 1.00 0.58 C ATOM 38 O4' DA A 2 5.093 10.837 -3.195 1.00 0.44 O ATOM 39 C3' DA A 2 5.531 9.112 -4.752 1.00 0.54 C ATOM 40 O3' DA A 2 6.938 8.862 -4.707 1.00 0.56 O ATOM 41 C2' DA A 2 4.751 8.547 -3.587 1.00 0.41 C ATOM 42 C1' DA A 2 4.771 9.606 -2.513 1.00 0.37 C ATOM 43 N9 DA A 2 3.439 9.808 -1.887 1.00 0.38 N ATOM 44 C8 DA A 2 2.223 9.845 -2.497 1.00 0.49 C ATOM 45 N7 DA A 2 1.189 10.041 -1.745 1.00 0.52 N ATOM 46 C5 DA A 2 1.776 10.151 -0.488 1.00 0.42 C ATOM 47 C6 DA A 2 1.227 10.368 0.776 1.00 0.45 C ATOM 48 N6 DA A 2 -0.080 10.509 0.961 1.00 0.54 N ATOM 49 N1 DA A 2 2.060 10.428 1.822 1.00 0.43 N ATOM 50 C2 DA A 2 3.366 10.278 1.620 1.00 0.38 C ATOM 51 N3 DA A 2 4.009 10.067 0.477 1.00 0.33 N ATOM 52 C4 DA A 2 3.140 10.012 -0.558 1.00 0.34 C ATOM 0 H5' DA A 2 3.855 12.087 -5.296 1.00 0.71 H new ATOM 0 H5'' DA A 2 4.334 10.939 -6.530 1.00 0.71 H new ATOM 0 H4' DA A 2 6.063 11.206 -4.986 1.00 0.58 H new ATOM 0 H3' DA A 2 5.236 8.659 -5.699 1.00 0.54 H new ATOM 0 H2' DA A 2 3.728 8.311 -3.881 1.00 0.41 H new ATOM 0 H2'' DA A 2 5.202 7.621 -3.229 1.00 0.41 H new ATOM 0 H1' DA A 2 5.473 9.313 -1.733 1.00 0.37 H new ATOM 0 H8 DA A 2 2.125 9.716 -3.565 1.00 0.49 H new ATOM 0 H61 DA A 2 -0.448 10.667 1.899 1.00 0.54 H new ATOM 0 H62 DA A 2 -0.716 10.460 0.165 1.00 0.54 H new ATOM 0 H2 DA A 2 3.986 10.335 2.502 1.00 0.38 H new ATOM 64 P DC A 3 7.547 7.379 -4.808 1.00 0.60 P ATOM 65 OP1 DC A 3 9.023 7.487 -4.822 1.00 0.72 O ATOM 66 OP2 DC A 3 6.845 6.635 -5.878 1.00 0.71 O ATOM 67 O5' DC A 3 7.080 6.789 -3.391 1.00 0.51 O ATOM 68 C5' DC A 3 7.592 7.346 -2.180 1.00 0.50 C ATOM 69 C4' DC A 3 6.927 6.768 -0.954 1.00 0.46 C ATOM 70 O4' DC A 3 5.667 7.327 -0.637 1.00 0.41 O ATOM 71 C3' DC A 3 6.887 5.313 -0.754 1.00 0.51 C ATOM 72 O3' DC A 3 8.099 4.862 -0.151 1.00 0.75 O ATOM 73 C2' DC A 3 5.626 5.064 0.056 1.00 0.38 C ATOM 74 C1' DC A 3 5.069 6.455 0.322 1.00 0.37 C ATOM 75 N1 DC A 3 3.637 6.624 0.001 1.00 0.30 N ATOM 76 C2 DC A 3 2.808 7.123 0.978 1.00 0.24 C ATOM 77 O2 DC A 3 3.246 7.403 2.084 1.00 0.27 O ATOM 78 N3 DC A 3 1.497 7.311 0.698 1.00 0.21 N ATOM 79 C4 DC A 3 1.012 7.018 -0.509 1.00 0.26 C ATOM 80 N4 DC A 3 -0.288 7.225 -0.701 1.00 0.30 N ATOM 81 C5 DC A 3 1.858 6.495 -1.550 1.00 0.33 C ATOM 82 C6 DC A 3 3.167 6.314 -1.243 1.00 0.33 C ATOM 0 H5' DC A 3 7.450 8.427 -2.192 1.00 0.50 H new ATOM 0 H5'' DC A 3 8.666 7.166 -2.126 1.00 0.50 H new ATOM 0 H4' DC A 3 7.681 7.103 -0.241 1.00 0.46 H new ATOM 0 H3' DC A 3 6.834 4.738 -1.678 1.00 0.51 H new ATOM 0 H2' DC A 3 4.914 4.449 -0.495 1.00 0.38 H new ATOM 0 H2'' DC A 3 5.847 4.540 0.986 1.00 0.38 H new ATOM 0 H1' DC A 3 5.252 6.643 1.380 1.00 0.37 H new ATOM 0 H41 DC A 3 -0.709 7.017 -1.606 1.00 0.30 H new ATOM 0 H42 DC A 3 -0.863 7.592 0.057 1.00 0.30 H new ATOM 0 H5 DC A 3 1.469 6.258 -2.529 1.00 0.33 H new ATOM 0 H6 DC A 3 3.843 5.922 -1.988 1.00 0.33 H new ATOM 94 P DA A 4 8.597 3.336 -0.274 1.00 0.86 P ATOM 95 OP1 DA A 4 10.076 3.349 -0.356 1.00 1.18 O ATOM 96 OP2 DA A 4 7.808 2.651 -1.325 1.00 0.96 O ATOM 97 O5' DA A 4 8.171 2.724 1.145 1.00 0.59 O ATOM 98 C5' DA A 4 8.883 3.068 2.344 1.00 0.55 C ATOM 99 C4' DA A 4 8.177 2.516 3.567 1.00 0.37 C ATOM 100 O4' DA A 4 6.858 3.076 3.669 1.00 0.32 O ATOM 101 C3' DA A 4 8.066 1.007 3.423 1.00 0.30 C ATOM 102 O3' DA A 4 9.128 0.311 4.081 1.00 0.28 O ATOM 103 C2' DA A 4 6.763 0.765 4.169 1.00 0.26 C ATOM 104 C1' DA A 4 5.952 2.032 4.044 1.00 0.28 C ATOM 105 N9 DA A 4 4.836 1.860 3.108 1.00 0.28 N ATOM 106 C8 DA A 4 4.849 1.750 1.751 1.00 0.28 C ATOM 107 N7 DA A 4 3.678 1.584 1.190 1.00 0.32 N ATOM 108 C5 DA A 4 2.812 1.588 2.292 1.00 0.32 C ATOM 109 C6 DA A 4 1.414 1.458 2.425 1.00 0.36 C ATOM 110 N6 DA A 4 0.574 1.291 1.409 1.00 0.38 N ATOM 111 N1 DA A 4 0.902 1.510 3.666 1.00 0.37 N ATOM 112 C2 DA A 4 1.701 1.679 4.711 1.00 0.35 C ATOM 113 N3 DA A 4 3.017 1.811 4.714 1.00 0.33 N ATOM 114 C4 DA A 4 3.514 1.756 3.455 1.00 0.30 C ATOM 0 H5' DA A 4 8.966 4.152 2.425 1.00 0.55 H new ATOM 0 H5'' DA A 4 9.898 2.673 2.295 1.00 0.55 H new ATOM 0 H4' DA A 4 8.743 2.774 4.462 1.00 0.37 H new ATOM 0 H3' DA A 4 8.107 0.664 2.389 1.00 0.30 H new ATOM 0 H2' DA A 4 6.225 -0.083 3.744 1.00 0.26 H new ATOM 0 H2'' DA A 4 6.954 0.529 5.216 1.00 0.26 H new ATOM 0 H1' DA A 4 5.479 2.296 4.990 1.00 0.28 H new ATOM 0 H8 DA A 4 5.763 1.797 1.177 1.00 0.28 H new ATOM 0 H61 DA A 4 -0.427 1.204 1.584 1.00 0.38 H new ATOM 0 H62 DA A 4 0.930 1.249 0.454 1.00 0.38 H new ATOM 0 H2 DA A 4 1.219 1.713 5.677 1.00 0.35 H new ATOM 126 P DT A 5 9.514 -1.202 3.668 1.00 0.27 P ATOM 127 OP1 DT A 5 10.675 -1.126 2.751 1.00 0.36 O ATOM 128 OP2 DT A 5 8.299 -1.927 3.234 1.00 0.27 O ATOM 129 O5' DT A 5 10.044 -1.860 5.046 1.00 0.33 O ATOM 130 C5' DT A 5 9.435 -1.715 6.342 1.00 0.33 C ATOM 131 C4' DT A 5 8.063 -2.368 6.536 1.00 0.34 C ATOM 132 O4' DT A 5 6.983 -1.768 5.781 1.00 0.28 O ATOM 133 C3' DT A 5 8.039 -3.871 6.245 1.00 0.34 C ATOM 134 O3' DT A 5 7.787 -4.647 7.422 1.00 0.39 O ATOM 135 C2' DT A 5 6.875 -4.001 5.255 1.00 0.28 C ATOM 136 C1' DT A 5 5.998 -2.792 5.573 1.00 0.26 C ATOM 137 N1 DT A 5 5.060 -2.432 4.482 1.00 0.23 N ATOM 138 C2 DT A 5 3.711 -2.328 4.784 1.00 0.29 C ATOM 139 O2 DT A 5 3.238 -2.492 5.906 1.00 0.38 O ATOM 140 N3 DT A 5 2.884 -2.013 3.734 1.00 0.29 N ATOM 141 C4 DT A 5 3.261 -1.790 2.434 1.00 0.26 C ATOM 142 O4 DT A 5 2.387 -1.532 1.609 1.00 0.32 O ATOM 143 C5 DT A 5 4.685 -1.909 2.204 1.00 0.21 C ATOM 144 C7 DT A 5 5.279 -1.656 0.819 1.00 0.29 C ATOM 145 C6 DT A 5 5.514 -2.221 3.211 1.00 0.19 C ATOM 0 H5' DT A 5 9.338 -0.650 6.555 1.00 0.33 H new ATOM 0 H5'' DT A 5 10.116 -2.128 7.086 1.00 0.33 H new ATOM 0 H4' DT A 5 7.893 -2.189 7.598 1.00 0.34 H new ATOM 0 H3' DT A 5 8.992 -4.239 5.865 1.00 0.34 H new ATOM 0 H2' DT A 5 7.223 -3.984 4.222 1.00 0.28 H new ATOM 0 H2'' DT A 5 6.333 -4.937 5.393 1.00 0.28 H new ATOM 0 H1' DT A 5 5.333 -2.966 6.419 1.00 0.26 H new ATOM 0 H3 DT A 5 1.888 -1.937 3.942 1.00 0.29 H new ATOM 0 H71 DT A 5 4.547 -1.919 0.056 1.00 0.29 H new ATOM 0 H72 DT A 5 5.541 -0.602 0.722 1.00 0.29 H new ATOM 0 H73 DT A 5 6.173 -2.266 0.690 1.00 0.29 H new ATOM 0 H6 DT A 5 6.572 -2.308 3.011 1.00 0.19 H new ATOM 158 P DG A 6 7.917 -6.256 7.393 1.00 0.37 P ATOM 159 OP1 DG A 6 9.348 -6.593 7.222 1.00 0.46 O ATOM 160 OP2 DG A 6 6.925 -6.796 6.441 1.00 0.37 O ATOM 161 O5' DG A 6 7.494 -6.686 8.884 1.00 0.40 O ATOM 162 C5' DG A 6 6.341 -6.194 9.591 1.00 0.39 C ATOM 163 C4' DG A 6 5.033 -6.948 9.325 1.00 0.36 C ATOM 164 O4' DG A 6 4.398 -6.732 8.040 1.00 0.33 O ATOM 165 C3' DG A 6 5.152 -8.470 9.496 1.00 0.38 C ATOM 166 O3' DG A 6 4.055 -9.066 10.213 1.00 0.45 O ATOM 167 C2' DG A 6 5.060 -8.908 8.060 1.00 0.32 C ATOM 168 C1' DG A 6 3.974 -8.014 7.524 1.00 0.30 C ATOM 169 N9 DG A 6 3.868 -8.036 6.061 1.00 0.25 N ATOM 170 C8 DG A 6 4.826 -7.933 5.112 1.00 0.24 C ATOM 171 N7 DG A 6 4.419 -7.973 3.868 1.00 0.20 N ATOM 172 C5 DG A 6 3.032 -8.119 4.029 1.00 0.19 C ATOM 173 C6 DG A 6 1.982 -8.224 3.067 1.00 0.19 C ATOM 174 O6 DG A 6 2.008 -8.220 1.840 1.00 0.22 O ATOM 175 N1 DG A 6 0.757 -8.350 3.666 1.00 0.22 N ATOM 176 C2 DG A 6 0.544 -8.380 5.025 1.00 0.26 C ATOM 177 N2 DG A 6 -0.684 -8.524 5.465 1.00 0.33 N ATOM 178 N3 DG A 6 1.495 -8.285 5.933 1.00 0.27 N ATOM 179 C4 DG A 6 2.709 -8.156 5.364 1.00 0.22 C ATOM 0 H5' DG A 6 6.196 -5.146 9.329 1.00 0.39 H new ATOM 0 H5'' DG A 6 6.550 -6.229 10.660 1.00 0.39 H new ATOM 0 H4' DG A 6 4.403 -6.501 10.094 1.00 0.36 H new ATOM 0 H3' DG A 6 6.042 -8.752 10.058 1.00 0.38 H new ATOM 0 H2' DG A 6 6.002 -8.767 7.530 1.00 0.32 H new ATOM 0 H2'' DG A 6 4.800 -9.963 7.972 1.00 0.32 H new ATOM 0 H1' DG A 6 2.970 -8.310 7.827 1.00 0.30 H new ATOM 0 H8 DG A 6 5.870 -7.824 5.366 1.00 0.24 H new ATOM 0 H1 DG A 6 -0.059 -8.427 3.059 1.00 0.22 H new ATOM 0 H21 DG A 6 -0.867 -8.549 6.468 1.00 0.33 H new ATOM 0 H22 DG A 6 -1.456 -8.611 4.804 1.00 0.33 H new ATOM 191 P DT A 7 3.555 -8.606 11.673 1.00 0.44 P ATOM 192 OP1 DT A 7 2.693 -7.405 11.509 1.00 0.50 O ATOM 193 OP2 DT A 7 4.720 -8.565 12.583 1.00 0.57 O ATOM 194 O5' DT A 7 2.627 -9.844 12.116 1.00 0.43 O ATOM 195 C5' DT A 7 1.193 -9.799 12.117 1.00 0.41 C ATOM 196 C4' DT A 7 0.557 -10.744 11.097 1.00 0.36 C ATOM 197 O4' DT A 7 0.794 -10.413 9.706 1.00 0.35 O ATOM 198 C3' DT A 7 1.011 -12.201 11.270 1.00 0.33 C ATOM 199 O3' DT A 7 -0.099 -13.062 11.444 1.00 0.34 O ATOM 200 C2' DT A 7 1.507 -12.550 9.885 1.00 0.32 C ATOM 201 C1' DT A 7 0.675 -11.653 8.996 1.00 0.30 C ATOM 202 N1 DT A 7 1.131 -11.564 7.586 1.00 0.29 N ATOM 203 C2 DT A 7 0.133 -11.447 6.630 1.00 0.31 C ATOM 204 O2 DT A 7 -1.065 -11.406 6.888 1.00 0.35 O ATOM 205 N3 DT A 7 0.543 -11.371 5.329 1.00 0.34 N ATOM 206 C4 DT A 7 1.837 -11.400 4.885 1.00 0.34 C ATOM 207 O4 DT A 7 2.049 -11.318 3.682 1.00 0.39 O ATOM 208 C5 DT A 7 2.827 -11.522 5.926 1.00 0.34 C ATOM 209 C7 DT A 7 4.308 -11.569 5.532 1.00 0.39 C ATOM 210 C6 DT A 7 2.458 -11.598 7.220 1.00 0.30 C ATOM 0 H5' DT A 7 0.868 -8.779 11.909 1.00 0.41 H new ATOM 0 H5'' DT A 7 0.829 -10.052 13.113 1.00 0.41 H new ATOM 0 H4' DT A 7 -0.504 -10.620 11.315 1.00 0.36 H new ATOM 0 H3' DT A 7 1.704 -12.302 12.105 1.00 0.33 H new ATOM 0 H2' DT A 7 2.573 -12.352 9.775 1.00 0.32 H new ATOM 0 H2'' DT A 7 1.353 -13.604 9.654 1.00 0.32 H new ATOM 0 H1' DT A 7 -0.344 -12.012 8.852 1.00 0.30 H new ATOM 0 H3 DT A 7 -0.186 -11.284 4.620 1.00 0.34 H new ATOM 0 H71 DT A 7 4.408 -12.021 4.545 1.00 0.39 H new ATOM 0 H72 DT A 7 4.711 -10.556 5.510 1.00 0.39 H new ATOM 0 H73 DT A 7 4.860 -12.163 6.261 1.00 0.39 H new ATOM 0 H6 DT A 7 3.217 -11.687 7.983 1.00 0.30 H new ATOM 223 P DC A 8 -0.634 -13.504 12.883 1.00 0.74 P ATOM 224 OP1 DC A 8 -1.352 -12.356 13.483 1.00 1.15 O ATOM 225 OP2 DC A 8 0.488 -14.147 13.606 1.00 1.20 O ATOM 226 O5' DC A 8 -1.708 -14.641 12.503 1.00 0.66 O ATOM 227 C5' DC A 8 -2.963 -14.370 11.864 1.00 0.50 C ATOM 228 C4' DC A 8 -3.017 -14.907 10.434 1.00 0.28 C ATOM 229 O4' DC A 8 -2.056 -14.312 9.547 1.00 0.27 O ATOM 230 C3' DC A 8 -2.673 -16.388 10.389 1.00 0.27 C ATOM 231 O3' DC A 8 -3.737 -17.257 10.791 1.00 0.34 O ATOM 232 C2' DC A 8 -2.282 -16.569 8.922 1.00 0.30 C ATOM 233 C1' DC A 8 -1.979 -15.180 8.400 1.00 0.31 C ATOM 234 N1 DC A 8 -0.683 -15.099 7.700 1.00 0.35 N ATOM 235 C2 DC A 8 -0.667 -14.635 6.392 1.00 0.40 C ATOM 236 O2 DC A 8 -1.689 -14.299 5.801 1.00 0.42 O ATOM 237 N3 DC A 8 0.520 -14.566 5.747 1.00 0.46 N ATOM 238 C4 DC A 8 1.649 -14.937 6.351 1.00 0.48 C ATOM 239 N4 DC A 8 2.774 -14.843 5.659 1.00 0.57 N ATOM 240 C5 DC A 8 1.655 -15.419 7.698 1.00 0.43 C ATOM 241 C6 DC A 8 0.465 -15.480 8.329 1.00 0.36 C ATOM 0 H5' DC A 8 -3.136 -13.294 11.852 1.00 0.50 H new ATOM 0 H5'' DC A 8 -3.768 -14.816 12.447 1.00 0.50 H new ATOM 0 H4' DC A 8 -4.035 -14.679 10.118 1.00 0.28 H new ATOM 0 H3' DC A 8 -1.892 -16.660 11.099 1.00 0.27 H new ATOM 0 H2' DC A 8 -1.413 -17.220 8.827 1.00 0.30 H new ATOM 0 H2'' DC A 8 -3.091 -17.031 8.356 1.00 0.30 H new ATOM 0 HO3' DC A 8 -3.438 -18.189 10.733 1.00 0.34 H new ATOM 0 H1' DC A 8 -2.696 -14.882 7.635 1.00 0.31 H new ATOM 0 H41 DC A 8 3.659 -15.117 6.085 1.00 0.57 H new ATOM 0 H42 DC A 8 2.755 -14.497 4.700 1.00 0.57 H new ATOM 0 H5 DC A 8 2.570 -15.720 8.187 1.00 0.43 H new ATOM 0 H6 DC A 8 0.421 -15.836 9.348 1.00 0.36 H new TER 254 DC A 8 ATOM 255 O5' DG B 1 1.039 -13.959 -4.810 1.00 1.00 O ATOM 256 C5' DG B 1 -0.163 -14.650 -5.172 1.00 1.00 C ATOM 257 C4' DG B 1 -1.303 -14.299 -4.217 1.00 0.83 C ATOM 258 O4' DG B 1 -1.003 -14.776 -2.899 1.00 0.81 O ATOM 259 C3' DG B 1 -1.634 -12.816 -4.151 1.00 0.71 C ATOM 260 O3' DG B 1 -3.050 -12.677 -4.031 1.00 0.66 O ATOM 261 C2' DG B 1 -0.943 -12.462 -2.838 1.00 0.66 C ATOM 262 C1' DG B 1 -1.168 -13.699 -1.977 1.00 0.69 C ATOM 263 N9 DG B 1 -0.093 -13.867 -0.986 1.00 0.70 N ATOM 264 C8 DG B 1 1.248 -13.956 -1.195 1.00 0.75 C ATOM 265 N7 DG B 1 1.988 -14.111 -0.141 1.00 0.78 N ATOM 266 C5 DG B 1 1.037 -14.127 0.880 1.00 0.71 C ATOM 267 C6 DG B 1 1.205 -14.269 2.286 1.00 0.69 C ATOM 268 O6 DG B 1 2.221 -14.410 2.961 1.00 0.73 O ATOM 269 N1 DG B 1 0.002 -14.232 2.938 1.00 0.63 N ATOM 270 C2 DG B 1 -1.218 -14.078 2.339 1.00 0.59 C ATOM 271 N2 DG B 1 -2.261 -14.060 3.137 1.00 0.54 N ATOM 272 N3 DG B 1 -1.405 -13.945 1.036 1.00 0.61 N ATOM 273 C4 DG B 1 -0.232 -13.979 0.366 1.00 0.67 C ATOM 0 H5' DG B 1 0.012 -15.726 -5.156 1.00 1.00 H new ATOM 0 H5'' DG B 1 -0.444 -14.388 -6.192 1.00 1.00 H new ATOM 0 H4' DG B 1 -2.186 -14.793 -4.622 1.00 0.83 H new ATOM 0 H3' DG B 1 -1.331 -12.206 -5.002 1.00 0.71 H new ATOM 0 H2' DG B 1 0.118 -12.261 -2.984 1.00 0.66 H new ATOM 0 H2'' DG B 1 -1.376 -11.571 -2.383 1.00 0.66 H new ATOM 0 HO5' DG B 1 1.755 -14.200 -5.434 1.00 1.00 H new ATOM 0 H1' DG B 1 -2.125 -13.644 -1.459 1.00 0.69 H new ATOM 0 H8 DG B 1 1.674 -13.901 -2.186 1.00 0.75 H new ATOM 0 H1 DG B 1 0.017 -14.327 3.953 1.00 0.63 H new ATOM 0 H21 DG B 1 -3.198 -13.948 2.749 1.00 0.54 H new ATOM 0 H22 DG B 1 -2.134 -14.158 4.144 1.00 0.54 H new ATOM 286 P DA B 2 -3.816 -11.285 -4.280 1.00 0.51 P ATOM 287 OP1 DA B 2 -4.672 -11.453 -5.474 1.00 0.75 O ATOM 288 OP2 DA B 2 -2.836 -10.175 -4.220 1.00 0.55 O ATOM 289 O5' DA B 2 -4.746 -11.191 -2.970 1.00 0.44 O ATOM 290 C5' DA B 2 -5.918 -12.000 -2.773 1.00 0.49 C ATOM 291 C4' DA B 2 -6.731 -11.551 -1.555 1.00 0.38 C ATOM 292 O4' DA B 2 -6.080 -11.734 -0.280 1.00 0.34 O ATOM 293 C3' DA B 2 -7.103 -10.086 -1.633 1.00 0.33 C ATOM 294 O3' DA B 2 -8.410 -9.859 -1.100 1.00 0.38 O ATOM 295 C2' DA B 2 -5.984 -9.455 -0.838 1.00 0.27 C ATOM 296 C1' DA B 2 -5.585 -10.467 0.206 1.00 0.28 C ATOM 297 N9 DA B 2 -4.113 -10.611 0.324 1.00 0.31 N ATOM 298 C8 DA B 2 -3.189 -10.645 -0.677 1.00 0.35 C ATOM 299 N7 DA B 2 -1.950 -10.783 -0.332 1.00 0.38 N ATOM 300 C5 DA B 2 -2.048 -10.852 1.053 1.00 0.36 C ATOM 301 C6 DA B 2 -1.080 -11.001 2.047 1.00 0.40 C ATOM 302 N6 DA B 2 0.211 -11.102 1.762 1.00 0.42 N ATOM 303 N1 DA B 2 -1.488 -11.034 3.321 1.00 0.44 N ATOM 304 C2 DA B 2 -2.787 -10.925 3.592 1.00 0.43 C ATOM 305 N3 DA B 2 -3.798 -10.779 2.743 1.00 0.38 N ATOM 306 C4 DA B 2 -3.355 -10.750 1.468 1.00 0.34 C ATOM 0 H5' DA B 2 -5.622 -13.041 -2.647 1.00 0.49 H new ATOM 0 H5'' DA B 2 -6.544 -11.953 -3.664 1.00 0.49 H new ATOM 0 H4' DA B 2 -7.605 -12.201 -1.599 1.00 0.38 H new ATOM 0 H3' DA B 2 -7.179 -9.672 -2.638 1.00 0.33 H new ATOM 0 H2' DA B 2 -5.140 -9.208 -1.482 1.00 0.27 H new ATOM 0 H2'' DA B 2 -6.313 -8.526 -0.373 1.00 0.27 H new ATOM 0 H1' DA B 2 -5.978 -10.158 1.175 1.00 0.28 H new ATOM 0 H8 DA B 2 -3.479 -10.560 -1.714 1.00 0.35 H new ATOM 0 H61 DA B 2 0.892 -11.210 2.513 1.00 0.42 H new ATOM 0 H62 DA B 2 0.523 -11.072 0.791 1.00 0.42 H new ATOM 0 H2 DA B 2 -3.053 -10.960 4.638 1.00 0.43 H new ATOM 318 P DC B 3 -9.036 -8.377 -1.062 1.00 0.53 P ATOM 319 OP1 DC B 3 -10.419 -8.472 -0.545 1.00 0.68 O ATOM 320 OP2 DC B 3 -8.768 -7.710 -2.357 1.00 0.68 O ATOM 321 O5' DC B 3 -8.106 -7.696 0.057 1.00 0.46 O ATOM 322 C5' DC B 3 -8.150 -8.164 1.406 1.00 0.46 C ATOM 323 C4' DC B 3 -7.103 -7.511 2.275 1.00 0.48 C ATOM 324 O4' DC B 3 -5.804 -8.058 2.166 1.00 0.43 O ATOM 325 C3' DC B 3 -7.014 -6.047 2.350 1.00 0.60 C ATOM 326 O3' DC B 3 -7.944 -5.540 3.307 1.00 0.84 O ATOM 327 C2' DC B 3 -5.555 -5.753 2.643 1.00 0.49 C ATOM 328 C1' DC B 3 -4.920 -7.130 2.788 1.00 0.44 C ATOM 329 N1 DC B 3 -3.690 -7.336 1.996 1.00 0.36 N ATOM 330 C2 DC B 3 -2.563 -7.775 2.648 1.00 0.37 C ATOM 331 O2 DC B 3 -2.581 -7.972 3.855 1.00 0.41 O ATOM 332 N3 DC B 3 -1.432 -7.992 1.936 1.00 0.36 N ATOM 333 C4 DC B 3 -1.407 -7.784 0.621 1.00 0.32 C ATOM 334 N4 DC B 3 -0.257 -8.019 -0.003 1.00 0.35 N ATOM 335 C5 DC B 3 -2.572 -7.324 -0.087 1.00 0.32 C ATOM 336 C6 DC B 3 -3.692 -7.114 0.648 1.00 0.34 C ATOM 0 H5' DC B 3 -8.006 -9.244 1.418 1.00 0.46 H new ATOM 0 H5'' DC B 3 -9.138 -7.969 1.823 1.00 0.46 H new ATOM 0 H4' DC B 3 -7.555 -7.791 3.227 1.00 0.48 H new ATOM 0 H3' DC B 3 -7.297 -5.539 1.428 1.00 0.60 H new ATOM 0 H2' DC B 3 -5.093 -5.184 1.836 1.00 0.49 H new ATOM 0 H2'' DC B 3 -5.442 -5.164 3.553 1.00 0.49 H new ATOM 0 H1' DC B 3 -4.716 -7.243 3.853 1.00 0.44 H new ATOM 0 H41 DC B 3 -0.185 -7.875 -1.010 1.00 0.35 H new ATOM 0 H42 DC B 3 0.553 -8.343 0.525 1.00 0.35 H new ATOM 0 H5 DC B 3 -2.555 -7.154 -1.153 1.00 0.32 H new ATOM 0 H6 DC B 3 -4.593 -6.768 0.164 1.00 0.34 H new ATOM 348 P DA B 4 -8.486 -4.027 3.223 1.00 1.03 P ATOM 349 OP1 DA B 4 -9.897 -4.020 3.674 1.00 1.40 O ATOM 350 OP2 DA B 4 -8.134 -3.464 1.900 1.00 1.11 O ATOM 351 O5' DA B 4 -7.593 -3.293 4.332 1.00 0.78 O ATOM 352 C5' DA B 4 -7.826 -3.506 5.734 1.00 0.75 C ATOM 353 C4' DA B 4 -6.740 -2.853 6.565 1.00 0.53 C ATOM 354 O4' DA B 4 -5.462 -3.432 6.246 1.00 0.46 O ATOM 355 C3' DA B 4 -6.707 -1.370 6.246 1.00 0.46 C ATOM 356 O3' DA B 4 -7.476 -0.586 7.165 1.00 0.46 O ATOM 357 C2' DA B 4 -5.226 -1.085 6.453 1.00 0.37 C ATOM 358 C1' DA B 4 -4.495 -2.380 6.174 1.00 0.39 C ATOM 359 N9 DA B 4 -3.788 -2.322 4.889 1.00 0.40 N ATOM 360 C8 DA B 4 -4.284 -2.341 3.621 1.00 0.41 C ATOM 361 N7 DA B 4 -3.393 -2.256 2.669 1.00 0.41 N ATOM 362 C5 DA B 4 -2.190 -2.176 3.385 1.00 0.39 C ATOM 363 C6 DA B 4 -0.839 -2.065 3.000 1.00 0.37 C ATOM 364 N6 DA B 4 -0.415 -2.015 1.740 1.00 0.36 N ATOM 365 N1 DA B 4 0.084 -2.010 3.976 1.00 0.39 N ATOM 366 C2 DA B 4 -0.290 -2.060 5.250 1.00 0.39 C ATOM 367 N3 DA B 4 -1.518 -2.162 5.731 1.00 0.40 N ATOM 368 C4 DA B 4 -2.431 -2.215 4.733 1.00 0.40 C ATOM 0 H5' DA B 4 -7.857 -4.575 5.944 1.00 0.75 H new ATOM 0 H5'' DA B 4 -8.798 -3.098 6.012 1.00 0.75 H new ATOM 0 H4' DA B 4 -6.949 -3.009 7.623 1.00 0.53 H new ATOM 0 H3' DA B 4 -7.118 -1.129 5.266 1.00 0.46 H new ATOM 0 H2' DA B 4 -4.886 -0.296 5.783 1.00 0.37 H new ATOM 0 H2'' DA B 4 -5.035 -0.744 7.470 1.00 0.37 H new ATOM 0 H1' DA B 4 -3.715 -2.564 6.912 1.00 0.39 H new ATOM 0 H8 DA B 4 -5.341 -2.421 3.416 1.00 0.41 H new ATOM 0 H61 DA B 4 0.582 -1.934 1.540 1.00 0.36 H new ATOM 0 H62 DA B 4 -1.087 -2.057 0.974 1.00 0.36 H new ATOM 0 H2 DA B 4 0.504 -2.012 5.981 1.00 0.39 H new ATOM 380 P DT B 5 -8.003 0.898 6.779 1.00 0.39 P ATOM 381 OP1 DT B 5 -9.409 0.764 6.335 1.00 0.50 O ATOM 382 OP2 DT B 5 -7.027 1.560 5.884 1.00 0.40 O ATOM 383 O5' DT B 5 -8.028 1.690 8.186 1.00 0.32 O ATOM 384 C5' DT B 5 -7.006 1.651 9.198 1.00 0.30 C ATOM 385 C4' DT B 5 -5.661 2.294 8.843 1.00 0.30 C ATOM 386 O4' DT B 5 -4.906 1.606 7.816 1.00 0.32 O ATOM 387 C3' DT B 5 -5.759 3.765 8.426 1.00 0.30 C ATOM 388 O3' DT B 5 -5.124 4.638 9.367 1.00 0.28 O ATOM 389 C2' DT B 5 -5.016 3.782 7.086 1.00 0.30 C ATOM 390 C1' DT B 5 -4.067 2.587 7.185 1.00 0.30 C ATOM 391 N1 DT B 5 -3.561 2.113 5.876 1.00 0.32 N ATOM 392 C2 DT B 5 -2.191 2.010 5.696 1.00 0.33 C ATOM 393 O2 DT B 5 -1.360 2.264 6.563 1.00 0.35 O ATOM 394 N3 DT B 5 -1.780 1.586 4.457 1.00 0.35 N ATOM 395 C4 DT B 5 -2.582 1.254 3.396 1.00 0.37 C ATOM 396 O4 DT B 5 -2.049 0.906 2.346 1.00 0.41 O ATOM 397 C5 DT B 5 -3.998 1.379 3.666 1.00 0.38 C ATOM 398 C7 DT B 5 -5.036 1.015 2.604 1.00 0.47 C ATOM 399 C6 DT B 5 -4.428 1.797 4.868 1.00 0.34 C ATOM 0 H5' DT B 5 -6.826 0.608 9.460 1.00 0.30 H new ATOM 0 H5'' DT B 5 -7.393 2.142 10.091 1.00 0.30 H new ATOM 0 H4' DT B 5 -5.129 2.211 9.791 1.00 0.30 H new ATOM 0 H3' DT B 5 -6.789 4.117 8.369 1.00 0.30 H new ATOM 0 H2' DT B 5 -5.703 3.680 6.246 1.00 0.30 H new ATOM 0 H2'' DT B 5 -4.472 4.715 6.941 1.00 0.30 H new ATOM 0 H1' DT B 5 -3.150 2.822 7.726 1.00 0.30 H new ATOM 0 H3 DT B 5 -0.773 1.510 4.311 1.00 0.35 H new ATOM 0 H71 DT B 5 -4.621 1.195 1.612 1.00 0.47 H new ATOM 0 H72 DT B 5 -5.302 -0.038 2.701 1.00 0.47 H new ATOM 0 H73 DT B 5 -5.927 1.628 2.741 1.00 0.47 H new ATOM 0 H6 DT B 5 -5.490 1.886 5.043 1.00 0.34 H new ATOM 412 P DG B 6 -5.267 6.246 9.252 1.00 0.28 P ATOM 413 OP1 DG B 6 -6.667 6.607 9.566 1.00 0.34 O ATOM 414 OP2 DG B 6 -4.672 6.687 7.974 1.00 0.37 O ATOM 415 O5' DG B 6 -4.349 6.775 10.464 1.00 0.27 O ATOM 416 C5' DG B 6 -3.023 6.303 10.760 1.00 0.24 C ATOM 417 C4' DG B 6 -1.891 6.999 9.994 1.00 0.23 C ATOM 418 O4' DG B 6 -1.745 6.672 8.589 1.00 0.27 O ATOM 419 C3' DG B 6 -1.939 8.533 10.076 1.00 0.26 C ATOM 420 O3' DG B 6 -0.661 9.144 10.325 1.00 0.33 O ATOM 421 C2' DG B 6 -2.354 8.861 8.668 1.00 0.26 C ATOM 422 C1' DG B 6 -1.527 7.899 7.861 1.00 0.27 C ATOM 423 N9 DG B 6 -1.941 7.812 6.456 1.00 0.27 N ATOM 424 C8 DG B 6 -3.172 7.665 5.912 1.00 0.29 C ATOM 425 N7 DG B 6 -3.225 7.602 4.604 1.00 0.29 N ATOM 426 C5 DG B 6 -1.871 7.720 4.259 1.00 0.24 C ATOM 427 C6 DG B 6 -1.224 7.725 2.986 1.00 0.25 C ATOM 428 O6 DG B 6 -1.679 7.632 1.851 1.00 0.29 O ATOM 429 N1 DG B 6 0.136 7.859 3.108 1.00 0.27 N ATOM 430 C2 DG B 6 0.812 7.985 4.298 1.00 0.28 C ATOM 431 N2 DG B 6 2.117 8.125 4.269 1.00 0.34 N ATOM 432 N3 DG B 6 0.238 7.984 5.486 1.00 0.27 N ATOM 433 C4 DG B 6 -1.100 7.847 5.390 1.00 0.25 C ATOM 0 H5' DG B 6 -2.980 5.235 10.547 1.00 0.24 H new ATOM 0 H5'' DG B 6 -2.843 6.423 11.828 1.00 0.24 H new ATOM 0 H4' DG B 6 -1.033 6.590 10.528 1.00 0.23 H new ATOM 0 H3' DG B 6 -2.578 8.885 10.886 1.00 0.26 H new ATOM 0 H2' DG B 6 -3.422 8.709 8.513 1.00 0.26 H new ATOM 0 H2'' DG B 6 -2.138 9.898 8.411 1.00 0.26 H new ATOM 0 H1' DG B 6 -0.479 8.186 7.772 1.00 0.27 H new ATOM 0 H8 DG B 6 -4.061 7.603 6.522 1.00 0.29 H new ATOM 0 H1 DG B 6 0.688 7.866 2.250 1.00 0.27 H new ATOM 0 H21 DG B 6 2.639 8.220 5.140 1.00 0.34 H new ATOM 0 H22 DG B 6 2.609 8.139 3.375 1.00 0.34 H new ATOM 445 P DT B 7 0.307 8.738 11.545 1.00 0.29 P ATOM 446 OP1 DT B 7 1.026 7.490 11.171 1.00 0.31 O ATOM 447 OP2 DT B 7 -0.458 8.802 12.810 1.00 0.33 O ATOM 448 O5' DT B 7 1.363 9.949 11.546 1.00 0.42 O ATOM 449 C5' DT B 7 2.700 9.834 11.039 1.00 0.43 C ATOM 450 C4' DT B 7 2.950 10.687 9.797 1.00 0.43 C ATOM 451 O4' DT B 7 2.224 10.291 8.608 1.00 0.36 O ATOM 452 C3' DT B 7 2.624 12.171 10.018 1.00 0.47 C ATOM 453 O3' DT B 7 3.747 12.983 9.733 1.00 0.53 O ATOM 454 C2' DT B 7 1.677 12.468 8.879 1.00 0.41 C ATOM 455 C1' DT B 7 2.111 11.484 7.815 1.00 0.35 C ATOM 456 N1 DT B 7 1.182 11.337 6.670 1.00 0.31 N ATOM 457 C2 DT B 7 1.767 11.119 5.433 1.00 0.37 C ATOM 458 O2 DT B 7 2.977 11.037 5.250 1.00 0.47 O ATOM 459 N3 DT B 7 0.918 10.992 4.372 1.00 0.38 N ATOM 460 C4 DT B 7 -0.448 11.058 4.416 1.00 0.38 C ATOM 461 O4 DT B 7 -1.082 10.919 3.379 1.00 0.43 O ATOM 462 C5 DT B 7 -0.999 11.287 5.730 1.00 0.37 C ATOM 463 C7 DT B 7 -2.521 11.383 5.887 1.00 0.50 C ATOM 464 C6 DT B 7 -0.189 11.416 6.801 1.00 0.31 C ATOM 0 H5' DT B 7 2.902 8.790 10.801 1.00 0.43 H new ATOM 0 H5'' DT B 7 3.403 10.125 11.819 1.00 0.43 H new ATOM 0 H4' DT B 7 4.015 10.524 9.632 1.00 0.43 H new ATOM 0 H3' DT B 7 2.273 12.352 11.034 1.00 0.47 H new ATOM 0 H2' DT B 7 0.637 12.318 9.168 1.00 0.41 H new ATOM 0 H2'' DT B 7 1.767 13.499 8.537 1.00 0.41 H new ATOM 0 H1' DT B 7 3.018 11.787 7.291 1.00 0.35 H new ATOM 0 H3 DT B 7 1.343 10.833 3.458 1.00 0.38 H new ATOM 0 H71 DT B 7 -2.957 11.782 4.971 1.00 0.50 H new ATOM 0 H72 DT B 7 -2.930 10.391 6.081 1.00 0.50 H new ATOM 0 H73 DT B 7 -2.760 12.044 6.721 1.00 0.50 H new ATOM 0 H6 DT B 7 -0.621 11.584 7.777 1.00 0.31 H new ATOM 477 P DC B 8 4.777 13.417 10.875 1.00 1.01 P ATOM 478 OP1 DC B 8 5.627 12.250 11.211 1.00 1.31 O ATOM 479 OP2 DC B 8 4.011 14.116 11.932 1.00 1.46 O ATOM 480 O5' DC B 8 5.674 14.498 10.094 1.00 1.06 O ATOM 481 C5' DC B 8 6.601 14.161 9.053 1.00 0.91 C ATOM 482 C4' DC B 8 6.148 14.661 7.683 1.00 0.68 C ATOM 483 O4' DC B 8 4.913 14.082 7.224 1.00 0.53 O ATOM 484 C3' DC B 8 5.852 16.154 7.711 1.00 0.71 C ATOM 485 O3' DC B 8 7.012 16.988 7.670 1.00 0.79 O ATOM 486 C2' DC B 8 4.962 16.313 6.479 1.00 0.56 C ATOM 487 C1' DC B 8 4.450 14.928 6.150 1.00 0.43 C ATOM 488 N1 DC B 8 2.986 14.882 5.973 1.00 0.41 N ATOM 489 C2 DC B 8 2.486 14.387 4.780 1.00 0.44 C ATOM 490 O2 DC B 8 3.217 13.994 3.876 1.00 0.48 O ATOM 491 N3 DC B 8 1.146 14.347 4.608 1.00 0.48 N ATOM 492 C4 DC B 8 0.322 14.775 5.565 1.00 0.50 C ATOM 493 N4 DC B 8 -0.981 14.710 5.330 1.00 0.60 N ATOM 494 C5 DC B 8 0.818 15.289 6.805 1.00 0.49 C ATOM 495 C6 DC B 8 2.157 15.320 6.957 1.00 0.44 C ATOM 0 H5' DC B 8 6.726 13.079 9.018 1.00 0.91 H new ATOM 0 H5'' DC B 8 7.577 14.587 9.287 1.00 0.91 H new ATOM 0 H4' DC B 8 6.976 14.386 7.030 1.00 0.68 H new ATOM 0 H3' DC B 8 5.389 16.475 8.644 1.00 0.71 H new ATOM 0 H2' DC B 8 4.137 16.996 6.680 1.00 0.56 H new ATOM 0 H2'' DC B 8 5.524 16.729 5.643 1.00 0.56 H new ATOM 0 HO3' DC B 8 6.739 17.929 7.690 1.00 0.79 H new ATOM 0 H1' DC B 8 4.831 14.587 5.187 1.00 0.43 H new ATOM 0 H41 DC B 8 -1.643 15.028 6.038 1.00 0.60 H new ATOM 0 H42 DC B 8 -1.321 14.342 4.442 1.00 0.60 H new ATOM 0 H5 DC B 8 0.152 15.635 7.581 1.00 0.49 H new ATOM 0 H6 DC B 8 2.578 15.699 7.876 1.00 0.44 H new TER 508 DC B 8 HETATM 509 C1 MNG B 9 -2.911 4.604 2.498 1.00 0.25 C HETATM 510 C2 MNG B 9 -3.039 4.482 1.104 1.00 0.25 C HETATM 511 C3 MNG B 9 -1.905 4.424 0.317 1.00 0.26 C HETATM 512 C4 MNG B 9 -0.665 4.481 0.861 1.00 0.24 C HETATM 513 C5 MNG B 9 0.820 4.664 2.783 1.00 0.24 C HETATM 514 C6 MNG B 9 2.343 4.861 4.747 1.00 0.24 C HETATM 515 C7 MNG B 9 3.923 5.081 6.845 1.00 0.30 C HETATM 516 C8 MNG B 9 3.813 4.967 8.368 1.00 0.29 C HETATM 517 C9 MNG B 9 2.675 5.795 8.933 1.00 0.28 C HETATM 518 C10 MNG B 9 1.393 5.189 8.478 1.00 0.23 C HETATM 519 C11 MNG B 9 0.117 4.978 6.376 1.00 0.22 C HETATM 520 C12 MNG B 9 -1.404 4.789 4.474 1.00 0.24 C HETATM 521 C16 MNG B 9 -1.621 4.665 3.091 1.00 0.22 C HETATM 522 C17 MNG B 9 -0.478 4.603 2.247 1.00 0.22 C HETATM 523 C18 MNG B 9 1.047 4.790 4.164 1.00 0.20 C HETATM 524 C19 MNG B 9 2.510 4.992 6.156 1.00 0.24 C HETATM 525 C20 MNG B 9 1.358 5.048 6.951 1.00 0.21 C HETATM 526 C21 MNG B 9 -0.094 4.852 5.009 1.00 0.21 C HETATM 527 C1' MNG B 9 -5.347 4.713 2.721 1.00 0.39 C HETATM 528 C2' MNG B 9 -5.813 6.195 2.456 1.00 0.45 C HETATM 529 C3' MNG B 9 -4.910 6.826 1.322 1.00 0.39 C HETATM 530 C4' MNG B 9 -4.858 5.852 0.026 1.00 0.36 C HETATM 531 C5' MNG B 9 -4.456 4.422 0.495 1.00 0.31 C HETATM 532 C5M MNG B 9 -4.524 3.420 -0.685 1.00 0.33 C HETATM 533 C1M MNG B 9 -6.444 8.309 -0.160 1.00 0.66 C HETATM 534 C2M MNG B 9 -4.537 9.357 1.178 1.00 0.59 C HETATM 535 C7M MNG B 9 6.171 4.129 6.793 1.00 0.54 C HETATM 536 C9M MNG B 9 2.756 7.261 8.470 1.00 0.36 C HETATM 537 O1 MNG B 9 -4.044 4.665 3.300 1.00 0.29 O HETATM 538 O4 MNG B 9 0.391 4.414 -0.018 1.00 0.29 O HETATM 539 O5 MNG B 9 1.724 4.600 1.941 1.00 0.29 O HETATM 540 O6 MNG B 9 3.426 4.802 3.888 1.00 0.31 O HETATM 541 O7 MNG B 9 4.796 4.047 6.372 1.00 0.37 O HETATM 542 O9 MNG B 9 2.735 5.797 10.333 1.00 0.32 O HETATM 543 O12 MNG B 9 -2.359 4.848 5.246 1.00 0.28 O HETATM 544 O1' MNG B 9 -5.393 3.975 1.487 1.00 0.37 O HETATM 545 O2' MNG B 9 -5.765 6.987 3.639 1.00 0.54 O HETATM 546 O4' MNG B 9 -3.923 6.331 -0.932 1.00 0.40 O HETATM 547 N1 MNG B 9 -5.417 8.181 0.921 1.00 0.55 N HETATM 0 HO4' MNG B 9 -4.123 5.940 -1.808 1.00 0.40 H new HETATM 0 HO2' MNG B 9 -4.841 7.036 3.963 1.00 0.54 H new HETATM 0 H9M3 MNG B 9 3.697 7.697 8.805 1.00 0.36 H new HETATM 0 H9M2 MNG B 9 2.704 7.302 7.382 1.00 0.36 H new HETATM 0 H9M1 MNG B 9 1.924 7.823 8.895 1.00 0.36 H new HETATM 0 H7M3 MNG B 9 6.603 5.067 6.445 1.00 0.54 H new HETATM 0 H7M2 MNG B 9 6.221 4.088 7.881 1.00 0.54 H new HETATM 0 H7M1 MNG B 9 6.731 3.294 6.372 1.00 0.54 H new HETATM 0 H5M3 MNG B 9 -3.826 3.727 -1.464 1.00 0.33 H new HETATM 0 H5M2 MNG B 9 -4.258 2.424 -0.332 1.00 0.33 H new HETATM 0 H5M1 MNG B 9 -5.536 3.403 -1.090 1.00 0.33 H new HETATM 0 H2M3 MNG B 9 -4.335 9.433 2.246 1.00 0.59 H new HETATM 0 H2M2 MNG B 9 -3.598 9.233 0.639 1.00 0.59 H new HETATM 0 H2M1 MNG B 9 -5.034 10.265 0.837 1.00 0.59 H new HETATM 0 H1M3 MNG B 9 -6.050 7.892 -1.087 1.00 0.66 H new HETATM 0 H1M2 MNG B 9 -7.345 7.767 0.128 1.00 0.66 H new HETATM 0 H1M1 MNG B 9 -6.686 9.361 -0.309 1.00 0.66 H new HETATM 0 H102 MNG B 9 1.267 4.210 8.939 1.00 0.23 H new HETATM 0 H101 MNG B 9 0.558 5.807 8.808 1.00 0.23 H new HETATM 0 HO9 MNG B 9 1.901 6.162 10.696 1.00 0.32 H new HETATM 0 HO6 MNG B 9 3.674 3.866 3.739 1.00 0.31 H new HETATM 0 HO4 MNG B 9 0.987 5.178 0.128 1.00 0.29 H new HETATM 0 H82 MNG B 9 3.668 3.922 8.641 1.00 0.29 H new HETATM 0 H81 MNG B 9 4.751 5.287 8.822 1.00 0.29 H new HETATM 0 H7 MNG B 9 4.335 6.056 6.585 1.00 0.30 H new HETATM 0 H4' MNG B 9 -5.840 5.830 -0.448 1.00 0.36 H new HETATM 0 H3' MNG B 9 -3.903 6.938 1.723 1.00 0.39 H new HETATM 0 H3 MNG B 9 -2.010 4.330 -0.764 1.00 0.26 H new HETATM 0 H2' MNG B 9 -6.853 6.178 2.131 1.00 0.45 H new HETATM 0 H11 MNG B 9 -0.755 5.024 7.028 1.00 0.22 H new HETATM 0 H1' MNG B 9 -6.027 4.256 3.440 1.00 0.39 H new HETATM 579 C1 MNG A 9 3.286 -5.172 1.797 1.00 0.19 C HETATM 580 C2 MNG A 9 2.910 -5.157 0.443 1.00 0.18 C HETATM 581 C3 MNG A 9 1.569 -5.149 0.109 1.00 0.23 C HETATM 582 C4 MNG A 9 0.605 -5.153 1.061 1.00 0.22 C HETATM 583 C5 MNG A 9 -0.097 -5.179 3.393 1.00 0.25 C HETATM 584 C6 MNG A 9 -0.819 -5.215 5.781 1.00 0.29 C HETATM 585 C7 MNG A 9 -1.547 -5.259 8.313 1.00 0.37 C HETATM 586 C8 MNG A 9 -0.904 -5.031 9.685 1.00 0.41 C HETATM 587 C9 MNG A 9 0.374 -5.824 9.867 1.00 0.41 C HETATM 588 C10 MNG A 9 1.400 -5.266 8.942 1.00 0.35 C HETATM 589 C11 MNG A 9 1.841 -5.225 6.513 1.00 0.28 C HETATM 590 C12 MNG A 9 2.583 -5.194 4.188 1.00 0.23 C HETATM 591 C16 MNG A 9 2.293 -5.178 2.813 1.00 0.19 C HETATM 592 C17 MNG A 9 0.924 -5.170 2.427 1.00 0.21 C HETATM 593 C18 MNG A 9 0.184 -5.198 4.771 1.00 0.26 C HETATM 594 C19 MNG A 9 -0.473 -5.237 7.163 1.00 0.31 C HETATM 595 C20 MNG A 9 0.888 -5.241 7.498 1.00 0.30 C HETATM 596 C21 MNG A 9 1.551 -5.205 5.157 1.00 0.25 C HETATM 597 C1' MNG A 9 5.644 -5.288 1.146 1.00 0.22 C HETATM 598 C2' MNG A 9 6.014 -6.787 0.842 1.00 0.20 C HETATM 599 C3' MNG A 9 4.779 -7.495 0.152 1.00 0.16 C HETATM 600 C4' MNG A 9 4.251 -6.621 -1.107 1.00 0.18 C HETATM 601 C5' MNG A 9 4.016 -5.157 -0.633 1.00 0.20 C HETATM 602 C5M MNG A 9 3.642 -4.246 -1.830 1.00 0.26 C HETATM 603 C1M MNG A 9 5.713 -9.099 -1.664 1.00 0.32 C HETATM 604 C2M MNG A 9 4.426 -10.027 0.338 1.00 0.31 C HETATM 605 C7M MNG A 9 -3.683 -4.294 8.994 1.00 0.50 C HETATM 606 C9M MNG A 9 0.161 -7.321 9.573 1.00 0.44 C HETATM 607 O1 MNG A 9 4.633 -5.182 2.146 1.00 0.19 O HETATM 608 O4 MNG A 9 -0.697 -5.144 0.614 1.00 0.27 O HETATM 609 O5 MNG A 9 -1.243 -5.170 2.927 1.00 0.27 O HETATM 610 O6 MNG A 9 -2.138 -5.208 5.362 1.00 0.32 O HETATM 611 O7 MNG A 9 -2.548 -4.255 8.105 1.00 0.38 O HETATM 612 O9 MNG A 9 0.816 -5.720 11.191 1.00 0.49 O HETATM 613 O12 MNG A 9 3.751 -5.203 4.572 1.00 0.25 O HETATM 614 O1' MNG A 9 5.236 -4.646 -0.075 1.00 0.21 O HETATM 615 O2' MNG A 9 6.405 -7.489 2.019 1.00 0.28 O HETATM 616 O4' MNG A 9 3.046 -7.162 -1.632 1.00 0.23 O HETATM 617 N1 MNG A 9 5.135 -8.881 -0.301 1.00 0.24 N HETATM 0 HO4' MNG A 9 2.914 -6.839 -2.548 1.00 0.23 H new HETATM 0 HO2' MNG A 9 5.707 -7.399 2.701 1.00 0.28 H new HETATM 0 H9M3 MNG A 9 -0.591 -7.722 10.252 1.00 0.44 H new HETATM 0 H9M2 MNG A 9 -0.176 -7.445 8.544 1.00 0.44 H new HETATM 0 H9M1 MNG A 9 1.100 -7.857 9.714 1.00 0.44 H new HETATM 0 H7M3 MNG A 9 -4.193 -5.252 8.892 1.00 0.50 H new HETATM 0 H7M2 MNG A 9 -3.344 -4.172 10.023 1.00 0.50 H new HETATM 0 H7M1 MNG A 9 -4.372 -3.488 8.741 1.00 0.50 H new HETATM 0 H5M3 MNG A 9 2.718 -4.604 -2.285 1.00 0.26 H new HETATM 0 H5M2 MNG A 9 3.502 -3.224 -1.479 1.00 0.26 H new HETATM 0 H5M1 MNG A 9 4.443 -4.269 -2.569 1.00 0.26 H new HETATM 0 H2M3 MNG A 9 4.618 -10.021 1.411 1.00 0.31 H new HETATM 0 H2M2 MNG A 9 3.354 -9.937 0.160 1.00 0.31 H new HETATM 0 H2M1 MNG A 9 4.787 -10.962 -0.090 1.00 0.31 H new HETATM 0 H1M3 MNG A 9 5.008 -8.749 -2.418 1.00 0.32 H new HETATM 0 H1M2 MNG A 9 6.647 -8.545 -1.756 1.00 0.32 H new HETATM 0 H1M1 MNG A 9 5.905 -10.162 -1.812 1.00 0.32 H new HETATM 0 H102 MNG A 9 1.664 -4.256 9.255 1.00 0.35 H new HETATM 0 H101 MNG A 9 2.309 -5.865 8.998 1.00 0.35 H new HETATM 0 HO9 MNG A 9 1.236 -6.563 11.463 1.00 0.49 H new HETATM 0 HO6 MNG A 9 -2.402 -4.294 5.128 1.00 0.32 H new HETATM 0 HO4 MNG A 9 -1.223 -5.795 1.125 1.00 0.27 H new HETATM 0 H82 MNG A 9 -0.690 -3.970 9.810 1.00 0.41 H new HETATM 0 H81 MNG A 9 -1.613 -5.307 10.465 1.00 0.41 H new HETATM 0 H7 MNG A 9 -2.008 -6.246 8.291 1.00 0.37 H new HETATM 0 H4' MNG A 9 5.000 -6.644 -1.899 1.00 0.18 H new HETATM 0 H3' MNG A 9 3.982 -7.568 0.892 1.00 0.16 H new HETATM 0 H3 MNG A 9 1.281 -5.139 -0.942 1.00 0.23 H new HETATM 0 H2' MNG A 9 6.871 -6.801 0.168 1.00 0.20 H new HETATM 0 H11 MNG A 9 2.889 -5.228 6.813 1.00 0.28 H new HETATM 0 H1' MNG A 9 6.526 -4.785 1.543 1.00 0.22 H new