USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=16 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= -0.696 (180deg=-1.67!) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : A 9 MNG O2' : rot 62:sc= 1.28 USER MOD Single : A 9 MNG O4 : rot 107:sc= 1.27 USER MOD Single : A 9 MNG O4' : rot -160:sc= -0.131 USER MOD Single : A 9 MNG O6 : rot -28:sc= 0.981 USER MOD Single : A 9 MNG O9 : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 180:sc= 0 USER MOD Single : B 5 DT C7 :methyl -30:sc= -0.793 (180deg=-1.67!) USER MOD Single : B 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 9 MNG O2' : rot 78:sc= 1.39 USER MOD Single : B 9 MNG O4 : rot 105:sc= 1.08 USER MOD Single : B 9 MNG O4' : rot -160:sc= -0.139 USER MOD Single : B 9 MNG O6 : rot -29:sc= 1 USER MOD Single : B 9 MNG O9 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -3.715 13.472 -5.035 1.00 0.66 O ATOM 2 C5' DG A 1 -2.789 14.193 -5.852 1.00 0.63 C ATOM 3 C4' DG A 1 -1.339 13.941 -5.423 1.00 0.60 C ATOM 4 O4' DG A 1 -1.106 14.459 -4.105 1.00 0.50 O ATOM 5 C3' DG A 1 -0.886 12.483 -5.458 1.00 0.68 C ATOM 6 O3' DG A 1 0.475 12.465 -5.904 1.00 0.79 O ATOM 7 C2' DG A 1 -0.986 12.156 -3.970 1.00 0.55 C ATOM 8 C1' DG A 1 -0.495 13.439 -3.315 1.00 0.47 C ATOM 9 N9 DG A 1 -1.049 13.578 -1.964 1.00 0.38 N ATOM 10 C8 DG A 1 -2.354 13.639 -1.590 1.00 0.41 C ATOM 11 N7 DG A 1 -2.586 13.770 -0.321 1.00 0.40 N ATOM 12 C5 DG A 1 -1.293 13.799 0.205 1.00 0.34 C ATOM 13 C6 DG A 1 -0.856 13.926 1.551 1.00 0.35 C ATOM 14 O6 DG A 1 -1.498 14.046 2.591 1.00 0.41 O ATOM 15 N1 DG A 1 0.509 13.910 1.639 1.00 0.35 N ATOM 16 C2 DG A 1 1.370 13.789 0.583 1.00 0.39 C ATOM 17 N2 DG A 1 2.651 13.786 0.877 1.00 0.48 N ATOM 18 N3 DG A 1 0.992 13.669 -0.682 1.00 0.40 N ATOM 19 C4 DG A 1 -0.354 13.682 -0.795 1.00 0.34 C ATOM 0 H5' DG A 1 -3.006 15.260 -5.793 1.00 0.63 H new ATOM 0 H5'' DG A 1 -2.917 13.899 -6.894 1.00 0.63 H new ATOM 0 H4' DG A 1 -0.746 14.464 -6.173 1.00 0.60 H new ATOM 0 H3' DG A 1 -1.438 11.799 -6.102 1.00 0.68 H new ATOM 0 H2' DG A 1 -2.008 11.916 -3.675 1.00 0.55 H new ATOM 0 H2'' DG A 1 -0.367 11.300 -3.700 1.00 0.55 H new ATOM 0 HO5' DG A 1 -4.629 13.657 -5.335 1.00 0.66 H new ATOM 0 H1' DG A 1 0.593 13.472 -3.255 1.00 0.47 H new ATOM 0 H8 DG A 1 -3.156 13.581 -2.312 1.00 0.41 H new ATOM 0 H1 DG A 1 0.919 13.995 2.569 1.00 0.35 H new ATOM 0 H21 DG A 1 3.345 13.699 0.134 1.00 0.48 H new ATOM 0 H22 DG A 1 2.952 13.871 1.848 1.00 0.48 H new ATOM 32 P DA A 2 1.266 11.127 -6.324 1.00 0.83 P ATOM 33 OP1 DA A 2 1.739 11.312 -7.713 1.00 0.97 O ATOM 34 OP2 DA A 2 0.441 9.947 -5.976 1.00 0.93 O ATOM 35 O5' DA A 2 2.540 11.150 -5.335 1.00 0.81 O ATOM 36 C5' DA A 2 3.700 11.973 -5.556 1.00 0.80 C ATOM 37 C4' DA A 2 4.915 11.487 -4.764 1.00 0.71 C ATOM 38 O4' DA A 2 4.788 11.629 -3.340 1.00 0.60 O ATOM 39 C3' DA A 2 5.274 10.036 -5.034 1.00 0.69 C ATOM 40 O3' DA A 2 6.696 9.861 -5.027 1.00 0.70 O ATOM 41 C2' DA A 2 4.555 9.354 -3.894 1.00 0.62 C ATOM 42 C1' DA A 2 4.565 10.339 -2.748 1.00 0.55 C ATOM 43 N9 DA A 2 3.249 10.440 -2.068 1.00 0.52 N ATOM 44 C8 DA A 2 2.013 10.469 -2.644 1.00 0.59 C ATOM 45 N7 DA A 2 0.998 10.560 -1.849 1.00 0.60 N ATOM 46 C5 DA A 2 1.616 10.599 -0.605 1.00 0.51 C ATOM 47 C6 DA A 2 1.092 10.695 0.683 1.00 0.49 C ATOM 48 N6 DA A 2 -0.215 10.754 0.904 1.00 0.57 N ATOM 49 N1 DA A 2 1.947 10.712 1.712 1.00 0.41 N ATOM 50 C2 DA A 2 3.252 10.638 1.468 1.00 0.38 C ATOM 51 N3 DA A 2 3.873 10.542 0.300 1.00 0.39 N ATOM 52 C4 DA A 2 2.982 10.528 -0.717 1.00 0.46 C ATOM 0 H5' DA A 2 3.473 13.001 -5.274 1.00 0.80 H new ATOM 0 H5'' DA A 2 3.941 11.980 -6.619 1.00 0.80 H new ATOM 0 H4' DA A 2 5.705 12.145 -5.125 1.00 0.71 H new ATOM 0 H3' DA A 2 4.983 9.640 -6.007 1.00 0.69 H new ATOM 0 H2' DA A 2 3.535 9.094 -4.176 1.00 0.62 H new ATOM 0 H2'' DA A 2 5.056 8.426 -3.616 1.00 0.62 H new ATOM 0 H1' DA A 2 5.315 10.020 -2.024 1.00 0.55 H new ATOM 0 H8 DA A 2 1.888 10.418 -3.716 1.00 0.59 H new ATOM 0 H61 DA A 2 -0.568 10.824 1.858 1.00 0.57 H new ATOM 0 H62 DA A 2 -0.866 10.729 0.120 1.00 0.57 H new ATOM 0 H2 DA A 2 3.892 10.659 2.338 1.00 0.38 H new ATOM 64 P DC A 3 7.353 8.414 -5.255 1.00 0.70 P ATOM 65 OP1 DC A 3 8.824 8.571 -5.304 1.00 0.73 O ATOM 66 OP2 DC A 3 6.642 7.730 -6.359 1.00 0.80 O ATOM 67 O5' DC A 3 6.940 7.705 -3.871 1.00 0.60 O ATOM 68 C5' DC A 3 7.497 8.132 -2.624 1.00 0.51 C ATOM 69 C4' DC A 3 6.900 7.408 -1.437 1.00 0.43 C ATOM 70 O4' DC A 3 5.670 7.941 -0.977 1.00 0.37 O ATOM 71 C3' DC A 3 6.836 5.932 -1.403 1.00 0.40 C ATOM 72 O3' DC A 3 8.062 5.307 -1.006 1.00 0.41 O ATOM 73 C2' DC A 3 5.628 5.627 -0.531 1.00 0.38 C ATOM 74 C1' DC A 3 5.138 6.988 -0.061 1.00 0.35 C ATOM 75 N1 DC A 3 3.687 7.174 -0.213 1.00 0.34 N ATOM 76 C2 DC A 3 2.955 7.512 0.905 1.00 0.31 C ATOM 77 O2 DC A 3 3.488 7.651 1.998 1.00 0.28 O ATOM 78 N3 DC A 3 1.624 7.700 0.775 1.00 0.36 N ATOM 79 C4 DC A 3 1.033 7.560 -0.409 1.00 0.40 C ATOM 80 N4 DC A 3 -0.277 7.754 -0.446 1.00 0.45 N ATOM 81 C5 DC A 3 1.770 7.210 -1.590 1.00 0.42 C ATOM 82 C6 DC A 3 3.103 7.026 -1.440 1.00 0.39 C ATOM 0 H5' DC A 3 7.337 9.204 -2.508 1.00 0.51 H new ATOM 0 H5'' DC A 3 8.575 7.970 -2.638 1.00 0.51 H new ATOM 0 H4' DC A 3 7.714 7.635 -0.749 1.00 0.43 H new ATOM 0 H3' DC A 3 6.710 5.498 -2.395 1.00 0.40 H new ATOM 0 H2' DC A 3 4.857 5.101 -1.093 1.00 0.38 H new ATOM 0 H2'' DC A 3 5.898 4.991 0.312 1.00 0.38 H new ATOM 0 H1' DC A 3 5.427 7.087 0.985 1.00 0.35 H new ATOM 0 H41 DC A 3 -0.782 7.660 -1.327 1.00 0.45 H new ATOM 0 H42 DC A 3 -0.781 7.998 0.407 1.00 0.45 H new ATOM 0 H5 DC A 3 1.286 7.099 -2.549 1.00 0.42 H new ATOM 0 H6 DC A 3 3.708 6.761 -2.294 1.00 0.39 H new ATOM 94 P DA A 4 8.362 3.748 -1.316 1.00 0.41 P ATOM 95 OP1 DA A 4 9.791 3.618 -1.687 1.00 0.49 O ATOM 96 OP2 DA A 4 7.319 3.224 -2.228 1.00 0.50 O ATOM 97 O5' DA A 4 8.139 3.068 0.122 1.00 0.34 O ATOM 98 C5' DA A 4 9.031 3.352 1.207 1.00 0.32 C ATOM 99 C4' DA A 4 8.508 2.837 2.533 1.00 0.27 C ATOM 100 O4' DA A 4 7.242 3.456 2.803 1.00 0.29 O ATOM 101 C3' DA A 4 8.328 1.326 2.581 1.00 0.24 C ATOM 102 O3' DA A 4 9.498 0.688 3.104 1.00 0.23 O ATOM 103 C2' DA A 4 7.169 1.228 3.574 1.00 0.23 C ATOM 104 C1' DA A 4 6.362 2.490 3.378 1.00 0.24 C ATOM 105 N9 DA A 4 5.171 2.234 2.561 1.00 0.20 N ATOM 106 C8 DA A 4 5.047 2.179 1.209 1.00 0.22 C ATOM 107 N7 DA A 4 3.847 1.921 0.763 1.00 0.21 N ATOM 108 C5 DA A 4 3.109 1.795 1.948 1.00 0.20 C ATOM 109 C6 DA A 4 1.754 1.520 2.218 1.00 0.23 C ATOM 110 N6 DA A 4 0.838 1.299 1.281 1.00 0.28 N ATOM 111 N1 DA A 4 1.371 1.471 3.505 1.00 0.24 N ATOM 112 C2 DA A 4 2.260 1.676 4.468 1.00 0.24 C ATOM 113 N3 DA A 4 3.549 1.938 4.342 1.00 0.23 N ATOM 114 C4 DA A 4 3.912 1.985 3.040 1.00 0.20 C ATOM 0 H5' DA A 4 9.186 4.429 1.274 1.00 0.32 H new ATOM 0 H5'' DA A 4 10.002 2.902 1.003 1.00 0.32 H new ATOM 0 H4' DA A 4 9.258 3.090 3.283 1.00 0.27 H new ATOM 0 H3' DA A 4 8.153 0.852 1.615 1.00 0.24 H new ATOM 0 H2' DA A 4 6.564 0.342 3.384 1.00 0.23 H new ATOM 0 H2'' DA A 4 7.535 1.151 4.598 1.00 0.23 H new ATOM 0 H1' DA A 4 5.976 2.870 4.324 1.00 0.24 H new ATOM 0 H8 DA A 4 5.885 2.338 0.547 1.00 0.22 H new ATOM 0 H61 DA A 4 -0.127 1.105 1.547 1.00 0.28 H new ATOM 0 H62 DA A 4 1.100 1.323 0.296 1.00 0.28 H new ATOM 0 H2 DA A 4 1.884 1.622 5.479 1.00 0.24 H new ATOM 126 P DT A 5 9.715 -0.910 3.007 1.00 0.26 P ATOM 127 OP1 DT A 5 11.124 -1.202 3.363 1.00 0.30 O ATOM 128 OP2 DT A 5 9.179 -1.377 1.708 1.00 0.38 O ATOM 129 O5' DT A 5 8.766 -1.513 4.163 1.00 0.25 O ATOM 130 C5' DT A 5 8.979 -1.234 5.556 1.00 0.23 C ATOM 131 C4' DT A 5 7.893 -1.842 6.432 1.00 0.34 C ATOM 132 O4' DT A 5 6.606 -1.335 6.035 1.00 0.43 O ATOM 133 C3' DT A 5 7.848 -3.371 6.397 1.00 0.36 C ATOM 134 O3' DT A 5 7.974 -3.876 7.730 1.00 0.38 O ATOM 135 C2' DT A 5 6.483 -3.660 5.764 1.00 0.37 C ATOM 136 C1' DT A 5 5.652 -2.401 6.035 1.00 0.42 C ATOM 137 N1 DT A 5 4.711 -2.151 4.911 1.00 0.40 N ATOM 138 C2 DT A 5 3.350 -2.118 5.158 1.00 0.43 C ATOM 139 O2 DT A 5 2.852 -2.265 6.270 1.00 0.48 O ATOM 140 N3 DT A 5 2.545 -1.896 4.062 1.00 0.46 N ATOM 141 C4 DT A 5 2.959 -1.705 2.767 1.00 0.48 C ATOM 142 O4 DT A 5 2.114 -1.531 1.893 1.00 0.54 O ATOM 143 C5 DT A 5 4.394 -1.749 2.593 1.00 0.45 C ATOM 144 C7 DT A 5 5.024 -1.530 1.218 1.00 0.46 C ATOM 145 C6 DT A 5 5.202 -1.967 3.645 1.00 0.40 C ATOM 0 H5' DT A 5 9.007 -0.155 5.709 1.00 0.23 H new ATOM 0 H5'' DT A 5 9.950 -1.624 5.859 1.00 0.23 H new ATOM 0 H4' DT A 5 8.139 -1.553 7.454 1.00 0.34 H new ATOM 0 H3' DT A 5 8.652 -3.847 5.835 1.00 0.36 H new ATOM 0 H2' DT A 5 6.575 -3.851 4.695 1.00 0.37 H new ATOM 0 H2'' DT A 5 6.020 -4.542 6.206 1.00 0.37 H new ATOM 0 H1' DT A 5 5.081 -2.492 6.959 1.00 0.42 H new ATOM 0 H3 DT A 5 1.539 -1.871 4.230 1.00 0.46 H new ATOM 0 H71 DT A 5 4.338 -1.875 0.444 1.00 0.46 H new ATOM 0 H72 DT A 5 5.228 -0.469 1.076 1.00 0.46 H new ATOM 0 H73 DT A 5 5.957 -2.090 1.152 1.00 0.46 H new ATOM 0 H6 DT A 5 6.270 -1.998 3.488 1.00 0.40 H new ATOM 158 P DG A 6 8.206 -5.437 8.075 1.00 0.35 P ATOM 159 OP1 DG A 6 8.904 -5.517 9.377 1.00 0.47 O ATOM 160 OP2 DG A 6 8.776 -6.112 6.887 1.00 0.42 O ATOM 161 O5' DG A 6 6.706 -5.977 8.274 1.00 0.31 O ATOM 162 C5' DG A 6 5.926 -5.474 9.361 1.00 0.30 C ATOM 163 C4' DG A 6 4.661 -6.277 9.591 1.00 0.25 C ATOM 164 O4' DG A 6 3.781 -6.282 8.442 1.00 0.29 O ATOM 165 C3' DG A 6 4.959 -7.731 9.942 1.00 0.28 C ATOM 166 O3' DG A 6 4.169 -8.097 11.073 1.00 0.33 O ATOM 167 C2' DG A 6 4.582 -8.449 8.662 1.00 0.22 C ATOM 168 C1' DG A 6 3.443 -7.634 8.072 1.00 0.23 C ATOM 169 N9 DG A 6 3.403 -7.747 6.591 1.00 0.24 N ATOM 170 C8 DG A 6 4.406 -7.617 5.672 1.00 0.29 C ATOM 171 N7 DG A 6 4.065 -7.751 4.416 1.00 0.29 N ATOM 172 C5 DG A 6 2.688 -7.994 4.512 1.00 0.27 C ATOM 173 C6 DG A 6 1.708 -8.227 3.491 1.00 0.29 C ATOM 174 O6 DG A 6 1.815 -8.274 2.266 1.00 0.35 O ATOM 175 N1 DG A 6 0.461 -8.417 4.027 1.00 0.28 N ATOM 176 C2 DG A 6 0.165 -8.397 5.367 1.00 0.26 C ATOM 177 N2 DG A 6 -1.087 -8.611 5.709 1.00 0.28 N ATOM 178 N3 DG A 6 1.052 -8.186 6.329 1.00 0.23 N ATOM 179 C4 DG A 6 2.291 -7.990 5.832 1.00 0.24 C ATOM 0 H5' DG A 6 5.662 -4.435 9.164 1.00 0.30 H new ATOM 0 H5'' DG A 6 6.528 -5.483 10.270 1.00 0.30 H new ATOM 0 H4' DG A 6 4.169 -5.779 10.426 1.00 0.25 H new ATOM 0 H3' DG A 6 5.984 -7.960 10.232 1.00 0.28 H new ATOM 0 H2' DG A 6 5.427 -8.501 7.975 1.00 0.22 H new ATOM 0 H2'' DG A 6 4.271 -9.474 8.862 1.00 0.22 H new ATOM 0 H1' DG A 6 2.468 -7.965 8.430 1.00 0.23 H new ATOM 0 H8 DG A 6 5.425 -7.415 5.967 1.00 0.29 H new ATOM 0 H1 DG A 6 -0.308 -8.587 3.379 1.00 0.28 H new ATOM 0 H21 DG A 6 -1.355 -8.606 6.693 1.00 0.28 H new ATOM 0 H22 DG A 6 -1.790 -8.782 4.990 1.00 0.28 H new ATOM 191 P DT A 7 4.326 -9.460 11.922 1.00 0.43 P ATOM 192 OP1 DT A 7 4.207 -9.095 13.351 1.00 0.49 O ATOM 193 OP2 DT A 7 5.499 -10.227 11.444 1.00 0.52 O ATOM 194 O5' DT A 7 3.009 -10.265 11.482 1.00 0.45 O ATOM 195 C5' DT A 7 1.697 -9.823 11.847 1.00 0.45 C ATOM 196 C4' DT A 7 0.635 -10.529 11.021 1.00 0.39 C ATOM 197 O4' DT A 7 0.753 -10.213 9.617 1.00 0.30 O ATOM 198 C3' DT A 7 0.738 -12.061 11.172 1.00 0.46 C ATOM 199 O3' DT A 7 -0.532 -12.691 11.337 1.00 0.50 O ATOM 200 C2' DT A 7 1.183 -12.439 9.789 1.00 0.37 C ATOM 201 C1' DT A 7 0.467 -11.426 8.927 1.00 0.25 C ATOM 202 N1 DT A 7 0.957 -11.406 7.534 1.00 0.23 N ATOM 203 C2 DT A 7 0.008 -11.415 6.532 1.00 0.17 C ATOM 204 O2 DT A 7 -1.201 -11.421 6.732 1.00 0.17 O ATOM 205 N3 DT A 7 0.483 -11.407 5.253 1.00 0.28 N ATOM 206 C4 DT A 7 1.797 -11.393 4.877 1.00 0.37 C ATOM 207 O4 DT A 7 2.071 -11.388 3.684 1.00 0.45 O ATOM 208 C5 DT A 7 2.734 -11.388 5.972 1.00 0.41 C ATOM 209 C7 DT A 7 4.233 -11.378 5.689 1.00 0.58 C ATOM 210 C6 DT A 7 2.298 -11.392 7.243 1.00 0.35 C ATOM 0 H5' DT A 7 1.619 -8.746 11.702 1.00 0.45 H new ATOM 0 H5'' DT A 7 1.526 -10.015 12.906 1.00 0.45 H new ATOM 0 H4' DT A 7 -0.326 -10.178 11.396 1.00 0.39 H new ATOM 0 H3' DT A 7 1.359 -12.343 12.022 1.00 0.46 H new ATOM 0 H2' DT A 7 2.265 -12.373 9.679 1.00 0.37 H new ATOM 0 H2'' DT A 7 0.899 -13.460 9.536 1.00 0.37 H new ATOM 0 H1' DT A 7 -0.597 -11.632 8.809 1.00 0.25 H new ATOM 0 H3 DT A 7 -0.210 -11.412 4.505 1.00 0.28 H new ATOM 0 H71 DT A 7 4.752 -10.862 6.496 1.00 0.58 H new ATOM 0 H72 DT A 7 4.597 -12.403 5.620 1.00 0.58 H new ATOM 0 H73 DT A 7 4.422 -10.862 4.748 1.00 0.58 H new ATOM 0 H6 DT A 7 3.016 -11.384 8.050 1.00 0.35 H new ATOM 223 P DC A 8 -1.394 -12.586 12.681 1.00 0.72 P ATOM 224 OP1 DC A 8 -1.870 -11.191 12.829 1.00 0.81 O ATOM 225 OP2 DC A 8 -0.635 -13.234 13.773 1.00 0.92 O ATOM 226 O5' DC A 8 -2.648 -13.532 12.328 1.00 0.76 O ATOM 227 C5' DC A 8 -3.720 -13.138 11.461 1.00 0.80 C ATOM 228 C4' DC A 8 -3.704 -13.860 10.109 1.00 0.73 C ATOM 229 O4' DC A 8 -2.587 -13.583 9.243 1.00 0.59 O ATOM 230 C3' DC A 8 -3.630 -15.373 10.277 1.00 0.76 C ATOM 231 O3' DC A 8 -4.856 -15.988 10.672 1.00 0.87 O ATOM 232 C2' DC A 8 -3.171 -15.834 8.892 1.00 0.65 C ATOM 233 C1' DC A 8 -2.615 -14.602 8.216 1.00 0.55 C ATOM 234 N1 DC A 8 -1.290 -14.832 7.609 1.00 0.44 N ATOM 235 C2 DC A 8 -1.127 -14.548 6.259 1.00 0.37 C ATOM 236 O2 DC A 8 -2.043 -14.140 5.552 1.00 0.41 O ATOM 237 N3 DC A 8 0.087 -14.749 5.702 1.00 0.34 N ATOM 238 C4 DC A 8 1.103 -15.208 6.428 1.00 0.38 C ATOM 239 N4 DC A 8 2.263 -15.375 5.817 1.00 0.43 N ATOM 240 C5 DC A 8 0.960 -15.509 7.814 1.00 0.44 C ATOM 241 C6 DC A 8 -0.255 -15.305 8.360 1.00 0.47 C ATOM 0 H5' DC A 8 -3.664 -12.063 11.291 1.00 0.80 H new ATOM 0 H5'' DC A 8 -4.670 -13.333 11.958 1.00 0.80 H new ATOM 0 H4' DC A 8 -4.627 -13.486 9.665 1.00 0.73 H new ATOM 0 H3' DC A 8 -2.962 -15.660 11.089 1.00 0.76 H new ATOM 0 H2' DC A 8 -2.413 -16.614 8.970 1.00 0.65 H new ATOM 0 H2'' DC A 8 -4.001 -16.252 8.323 1.00 0.65 H new ATOM 0 HO3' DC A 8 -4.725 -16.956 10.756 1.00 0.87 H new ATOM 0 H1' DC A 8 -3.236 -14.300 7.373 1.00 0.55 H new ATOM 0 H41 DC A 8 3.068 -15.725 6.337 1.00 0.43 H new ATOM 0 H42 DC A 8 2.354 -15.154 4.825 1.00 0.43 H new ATOM 0 H5 DC A 8 1.787 -15.883 8.399 1.00 0.44 H new ATOM 0 H6 DC A 8 -0.411 -15.519 9.407 1.00 0.47 H new TER 254 DC A 8 ATOM 255 O5' DG B 1 1.560 -14.568 -4.841 1.00 0.65 O ATOM 256 C5' DG B 1 0.397 -15.288 -5.261 1.00 0.56 C ATOM 257 C4' DG B 1 -0.816 -14.963 -4.385 1.00 0.46 C ATOM 258 O4' DG B 1 -0.609 -15.420 -3.039 1.00 0.38 O ATOM 259 C3' DG B 1 -1.220 -13.495 -4.342 1.00 0.52 C ATOM 260 O3' DG B 1 -2.648 -13.458 -4.313 1.00 0.57 O ATOM 261 C2' DG B 1 -0.620 -13.112 -2.991 1.00 0.48 C ATOM 262 C1' DG B 1 -0.891 -14.345 -2.142 1.00 0.38 C ATOM 263 N9 DG B 1 0.083 -14.452 -1.049 1.00 0.40 N ATOM 264 C8 DG B 1 1.436 -14.548 -1.130 1.00 0.51 C ATOM 265 N7 DG B 1 2.077 -14.635 -0.007 1.00 0.54 N ATOM 266 C5 DG B 1 1.036 -14.595 0.922 1.00 0.41 C ATOM 267 C6 DG B 1 1.075 -14.650 2.340 1.00 0.41 C ATOM 268 O6 DG B 1 2.024 -14.752 3.111 1.00 0.51 O ATOM 269 N1 DG B 1 -0.180 -14.578 2.878 1.00 0.37 N ATOM 270 C2 DG B 1 -1.341 -14.467 2.166 1.00 0.36 C ATOM 271 N2 DG B 1 -2.449 -14.404 2.870 1.00 0.46 N ATOM 272 N3 DG B 1 -1.409 -14.414 0.844 1.00 0.34 N ATOM 273 C4 DG B 1 -0.181 -14.482 0.289 1.00 0.34 C ATOM 0 H5' DG B 1 0.598 -16.359 -5.222 1.00 0.56 H new ATOM 0 H5'' DG B 1 0.172 -15.043 -6.299 1.00 0.56 H new ATOM 0 H4' DG B 1 -1.638 -15.494 -4.866 1.00 0.46 H new ATOM 0 H3' DG B 1 -0.901 -12.852 -5.162 1.00 0.52 H new ATOM 0 H2' DG B 1 0.446 -12.900 -3.067 1.00 0.48 H new ATOM 0 H2'' DG B 1 -1.093 -12.222 -2.575 1.00 0.48 H new ATOM 0 HO5' DG B 1 2.316 -14.800 -5.420 1.00 0.65 H new ATOM 0 H1' DG B 1 -1.894 -14.330 -1.716 1.00 0.38 H new ATOM 0 H8 DG B 1 1.950 -14.552 -2.080 1.00 0.51 H new ATOM 0 H1 DG B 1 -0.256 -14.610 3.895 1.00 0.37 H new ATOM 0 H21 DG B 1 -3.349 -14.320 2.398 1.00 0.46 H new ATOM 0 H22 DG B 1 -2.409 -14.439 3.889 1.00 0.46 H new ATOM 286 P DA B 2 -3.514 -12.133 -4.570 1.00 0.58 P ATOM 287 OP1 DA B 2 -4.411 -12.392 -5.718 1.00 0.70 O ATOM 288 OP2 DA B 2 -2.611 -10.960 -4.584 1.00 0.75 O ATOM 289 O5' DA B 2 -4.392 -12.078 -3.222 1.00 0.65 O ATOM 290 C5' DA B 2 -5.556 -12.895 -3.004 1.00 0.61 C ATOM 291 C4' DA B 2 -6.442 -12.347 -1.883 1.00 0.54 C ATOM 292 O4' DA B 2 -5.852 -12.418 -0.574 1.00 0.49 O ATOM 293 C3' DA B 2 -6.870 -10.904 -2.096 1.00 0.59 C ATOM 294 O3' DA B 2 -8.210 -10.699 -1.632 1.00 0.59 O ATOM 295 C2' DA B 2 -5.813 -10.179 -1.295 1.00 0.57 C ATOM 296 C1' DA B 2 -5.444 -11.105 -0.159 1.00 0.48 C ATOM 297 N9 DA B 2 -3.979 -11.193 0.055 1.00 0.46 N ATOM 298 C8 DA B 2 -3.001 -11.277 -0.892 1.00 0.51 C ATOM 299 N7 DA B 2 -1.781 -11.346 -0.474 1.00 0.50 N ATOM 300 C5 DA B 2 -1.952 -11.307 0.905 1.00 0.43 C ATOM 301 C6 DA B 2 -1.030 -11.344 1.951 1.00 0.42 C ATOM 302 N6 DA B 2 0.277 -11.418 1.734 1.00 0.47 N ATOM 303 N1 DA B 2 -1.500 -11.290 3.202 1.00 0.43 N ATOM 304 C2 DA B 2 -2.814 -11.203 3.397 1.00 0.43 C ATOM 305 N3 DA B 2 -3.787 -11.158 2.495 1.00 0.43 N ATOM 306 C4 DA B 2 -3.279 -11.215 1.244 1.00 0.42 C ATOM 0 H5' DA B 2 -5.245 -13.910 -2.756 1.00 0.61 H new ATOM 0 H5'' DA B 2 -6.134 -12.955 -3.926 1.00 0.61 H new ATOM 0 H4' DA B 2 -7.307 -13.009 -1.929 1.00 0.54 H new ATOM 0 H3' DA B 2 -6.918 -10.564 -3.131 1.00 0.59 H new ATOM 0 H2' DA B 2 -4.943 -9.952 -1.912 1.00 0.57 H new ATOM 0 H2'' DA B 2 -6.192 -9.230 -0.917 1.00 0.57 H new ATOM 0 H1' DA B 2 -5.912 -10.737 0.754 1.00 0.48 H new ATOM 0 H8 DA B 2 -3.237 -11.285 -1.946 1.00 0.51 H new ATOM 0 H61 DA B 2 0.924 -11.443 2.522 1.00 0.47 H new ATOM 0 H62 DA B 2 0.634 -11.450 0.779 1.00 0.47 H new ATOM 0 H2 DA B 2 -3.131 -11.164 4.429 1.00 0.43 H new ATOM 318 P DC B 3 -8.912 -9.249 -1.688 1.00 0.64 P ATOM 319 OP1 DC B 3 -10.309 -9.386 -1.217 1.00 0.67 O ATOM 320 OP2 DC B 3 -8.629 -8.622 -2.998 1.00 0.74 O ATOM 321 O5' DC B 3 -8.048 -8.486 -0.566 1.00 0.58 O ATOM 322 C5' DC B 3 -8.138 -8.850 0.815 1.00 0.51 C ATOM 323 C4' DC B 3 -7.167 -8.084 1.688 1.00 0.48 C ATOM 324 O4' DC B 3 -5.852 -8.613 1.713 1.00 0.40 O ATOM 325 C3' DC B 3 -7.100 -6.608 1.632 1.00 0.52 C ATOM 326 O3' DC B 3 -8.117 -5.957 2.406 1.00 0.51 O ATOM 327 C2' DC B 3 -5.663 -6.283 2.014 1.00 0.50 C ATOM 328 C1' DC B 3 -5.037 -7.629 2.344 1.00 0.42 C ATOM 329 N1 DC B 3 -3.728 -7.841 1.707 1.00 0.38 N ATOM 330 C2 DC B 3 -2.651 -8.138 2.513 1.00 0.36 C ATOM 331 O2 DC B 3 -2.766 -8.225 3.730 1.00 0.36 O ATOM 332 N3 DC B 3 -1.448 -8.348 1.937 1.00 0.36 N ATOM 333 C4 DC B 3 -1.308 -8.268 0.615 1.00 0.37 C ATOM 334 N4 DC B 3 -0.092 -8.476 0.133 1.00 0.41 N ATOM 335 C5 DC B 3 -2.412 -7.962 -0.249 1.00 0.41 C ATOM 336 C6 DC B 3 -3.608 -7.754 0.347 1.00 0.40 C ATOM 0 H5' DC B 3 -7.947 -9.918 0.918 1.00 0.51 H new ATOM 0 H5'' DC B 3 -9.154 -8.673 1.167 1.00 0.51 H new ATOM 0 H4' DC B 3 -7.688 -8.271 2.627 1.00 0.48 H new ATOM 0 H3' DC B 3 -7.327 -6.213 0.642 1.00 0.52 H new ATOM 0 H2' DC B 3 -5.137 -5.792 1.195 1.00 0.50 H new ATOM 0 H2'' DC B 3 -5.624 -5.608 2.869 1.00 0.50 H new ATOM 0 H1' DC B 3 -4.944 -7.679 3.429 1.00 0.42 H new ATOM 0 H41 DC B 3 0.073 -8.427 -0.872 1.00 0.41 H new ATOM 0 H42 DC B 3 0.679 -8.685 0.767 1.00 0.41 H new ATOM 0 H5 DC B 3 -2.294 -7.901 -1.321 1.00 0.41 H new ATOM 0 H6 DC B 3 -4.474 -7.518 -0.254 1.00 0.40 H new ATOM 348 P DA B 4 -8.537 -4.416 2.146 1.00 0.52 P ATOM 349 OP1 DA B 4 -10.006 -4.296 2.305 1.00 0.59 O ATOM 350 OP2 DA B 4 -7.896 -3.950 0.895 1.00 0.60 O ATOM 351 O5' DA B 4 -7.823 -3.660 3.370 1.00 0.47 O ATOM 352 C5' DA B 4 -8.267 -3.876 4.716 1.00 0.45 C ATOM 353 C4' DA B 4 -7.309 -3.294 5.739 1.00 0.38 C ATOM 354 O4' DA B 4 -6.025 -3.912 5.576 1.00 0.32 O ATOM 355 C3' DA B 4 -7.139 -1.785 5.632 1.00 0.40 C ATOM 356 O3' DA B 4 -8.046 -1.109 6.505 1.00 0.43 O ATOM 357 C2' DA B 4 -5.704 -1.646 6.138 1.00 0.35 C ATOM 358 C1' DA B 4 -5.007 -2.925 5.742 1.00 0.30 C ATOM 359 N9 DA B 4 -4.189 -2.729 4.540 1.00 0.27 N ATOM 360 C8 DA B 4 -4.559 -2.750 3.233 1.00 0.29 C ATOM 361 N7 DA B 4 -3.597 -2.533 2.374 1.00 0.29 N ATOM 362 C5 DA B 4 -2.486 -2.351 3.208 1.00 0.27 C ATOM 363 C6 DA B 4 -1.126 -2.078 2.962 1.00 0.32 C ATOM 364 N6 DA B 4 -0.608 -1.919 1.750 1.00 0.37 N ATOM 365 N1 DA B 4 -0.308 -1.962 4.022 1.00 0.34 N ATOM 366 C2 DA B 4 -0.794 -2.104 5.249 1.00 0.33 C ATOM 367 N3 DA B 4 -2.040 -2.356 5.605 1.00 0.29 N ATOM 368 C4 DA B 4 -2.844 -2.470 4.524 1.00 0.26 C ATOM 0 H5' DA B 4 -8.377 -4.946 4.892 1.00 0.45 H new ATOM 0 H5'' DA B 4 -9.252 -3.428 4.848 1.00 0.45 H new ATOM 0 H4' DA B 4 -7.739 -3.496 6.720 1.00 0.38 H new ATOM 0 H3' DA B 4 -7.327 -1.368 4.643 1.00 0.40 H new ATOM 0 H2' DA B 4 -5.214 -0.779 5.694 1.00 0.35 H new ATOM 0 H2'' DA B 4 -5.681 -1.506 7.219 1.00 0.35 H new ATOM 0 H1' DA B 4 -4.305 -3.254 6.508 1.00 0.30 H new ATOM 0 H8 DA B 4 -5.578 -2.933 2.924 1.00 0.29 H new ATOM 0 H61 DA B 4 0.387 -1.723 1.642 1.00 0.37 H new ATOM 0 H62 DA B 4 -1.205 -1.993 0.926 1.00 0.37 H new ATOM 0 H2 DA B 4 -0.083 -2.001 6.055 1.00 0.33 H new ATOM 380 P DT B 5 -8.295 0.480 6.391 1.00 0.46 P ATOM 381 OP1 DT B 5 -9.466 0.813 7.234 1.00 0.55 O ATOM 382 OP2 DT B 5 -8.291 0.859 4.959 1.00 0.58 O ATOM 383 O5' DT B 5 -6.981 1.131 7.063 1.00 0.38 O ATOM 384 C5' DT B 5 -6.651 0.932 8.446 1.00 0.36 C ATOM 385 C4' DT B 5 -5.317 1.567 8.810 1.00 0.39 C ATOM 386 O4' DT B 5 -4.273 1.017 7.986 1.00 0.42 O ATOM 387 C3' DT B 5 -5.298 3.088 8.671 1.00 0.36 C ATOM 388 O3' DT B 5 -4.912 3.669 9.918 1.00 0.35 O ATOM 389 C2' DT B 5 -4.273 3.322 7.557 1.00 0.37 C ATOM 390 C1' DT B 5 -3.395 2.066 7.565 1.00 0.38 C ATOM 391 N1 DT B 5 -2.949 1.740 6.184 1.00 0.34 N ATOM 392 C2 DT B 5 -1.595 1.697 5.901 1.00 0.31 C ATOM 393 O2 DT B 5 -0.714 1.899 6.731 1.00 0.34 O ATOM 394 N3 DT B 5 -1.263 1.402 4.596 1.00 0.29 N ATOM 395 C4 DT B 5 -2.134 1.147 3.567 1.00 0.29 C ATOM 396 O4 DT B 5 -1.680 0.911 2.449 1.00 0.30 O ATOM 397 C5 DT B 5 -3.528 1.203 3.946 1.00 0.30 C ATOM 398 C7 DT B 5 -4.626 0.917 2.920 1.00 0.27 C ATOM 399 C6 DT B 5 -3.879 1.494 5.210 1.00 0.32 C ATOM 0 H5' DT B 5 -6.615 -0.136 8.660 1.00 0.36 H new ATOM 0 H5'' DT B 5 -7.437 1.356 9.071 1.00 0.36 H new ATOM 0 H4' DT B 5 -5.155 1.338 9.863 1.00 0.39 H new ATOM 0 H3' DT B 5 -6.259 3.540 8.426 1.00 0.36 H new ATOM 0 H2' DT B 5 -4.761 3.458 6.592 1.00 0.37 H new ATOM 0 H2'' DT B 5 -3.683 4.219 7.744 1.00 0.37 H new ATOM 0 H1' DT B 5 -2.517 2.197 8.198 1.00 0.38 H new ATOM 0 H3 DT B 5 -0.268 1.370 4.373 1.00 0.29 H new ATOM 0 H71 DT B 5 -4.282 1.209 1.928 1.00 0.27 H new ATOM 0 H72 DT B 5 -4.860 -0.148 2.924 1.00 0.27 H new ATOM 0 H73 DT B 5 -5.520 1.486 3.176 1.00 0.27 H new ATOM 0 H6 DT B 5 -4.928 1.535 5.466 1.00 0.32 H new ATOM 412 P DG B 6 -5.037 5.250 10.208 1.00 0.40 P ATOM 413 OP1 DG B 6 -5.208 5.426 11.667 1.00 0.52 O ATOM 414 OP2 DG B 6 -6.025 5.828 9.272 1.00 0.46 O ATOM 415 O5' DG B 6 -3.588 5.804 9.797 1.00 0.44 O ATOM 416 C5' DG B 6 -2.446 5.390 10.555 1.00 0.44 C ATOM 417 C4' DG B 6 -1.214 6.215 10.248 1.00 0.39 C ATOM 418 O4' DG B 6 -0.819 6.139 8.857 1.00 0.35 O ATOM 419 C3' DG B 6 -1.413 7.689 10.581 1.00 0.42 C ATOM 420 O3' DG B 6 -0.280 8.155 11.313 1.00 0.42 O ATOM 421 C2' DG B 6 -1.559 8.309 9.207 1.00 0.35 C ATOM 422 C1' DG B 6 -0.688 7.460 8.297 1.00 0.30 C ATOM 423 N9 DG B 6 -1.199 7.459 6.901 1.00 0.30 N ATOM 424 C8 DG B 6 -2.465 7.254 6.429 1.00 0.35 C ATOM 425 N7 DG B 6 -2.614 7.294 5.129 1.00 0.34 N ATOM 426 C5 DG B 6 -1.306 7.551 4.693 1.00 0.29 C ATOM 427 C6 DG B 6 -0.778 7.711 3.368 1.00 0.29 C ATOM 428 O6 DG B 6 -1.330 7.664 2.269 1.00 0.33 O ATOM 429 N1 DG B 6 0.573 7.948 3.392 1.00 0.27 N ATOM 430 C2 DG B 6 1.340 8.033 4.527 1.00 0.24 C ATOM 431 N2 DG B 6 2.621 8.281 4.368 1.00 0.25 N ATOM 432 N3 DG B 6 0.875 7.891 5.760 1.00 0.24 N ATOM 433 C4 DG B 6 -0.452 7.651 5.770 1.00 0.26 C ATOM 0 H5' DG B 6 -2.237 4.341 10.347 1.00 0.44 H new ATOM 0 H5'' DG B 6 -2.673 5.465 11.618 1.00 0.44 H new ATOM 0 H4' DG B 6 -0.433 5.785 10.875 1.00 0.39 H new ATOM 0 H3' DG B 6 -2.268 7.928 11.214 1.00 0.42 H new ATOM 0 H2' DG B 6 -2.598 8.300 8.879 1.00 0.35 H new ATOM 0 H2'' DG B 6 -1.233 9.349 9.207 1.00 0.35 H new ATOM 0 H1' DG B 6 0.338 7.825 8.247 1.00 0.30 H new ATOM 0 H8 DG B 6 -3.297 7.069 7.092 1.00 0.35 H new ATOM 0 H1 DG B 6 1.045 8.071 2.496 1.00 0.27 H new ATOM 0 H21 DG B 6 3.231 8.353 5.182 1.00 0.25 H new ATOM 0 H22 DG B 6 3.005 8.401 3.431 1.00 0.25 H new ATOM 445 P DT B 7 -0.219 9.583 12.061 1.00 0.50 P ATOM 446 OP1 DT B 7 0.412 9.359 13.379 1.00 0.53 O ATOM 447 OP2 DT B 7 -1.536 10.253 11.971 1.00 0.61 O ATOM 448 O5' DT B 7 0.800 10.398 11.128 1.00 0.51 O ATOM 449 C5' DT B 7 2.188 10.047 11.041 1.00 0.48 C ATOM 450 C4' DT B 7 2.844 10.720 9.847 1.00 0.42 C ATOM 451 O4' DT B 7 2.272 10.267 8.602 1.00 0.34 O ATOM 452 C3' DT B 7 2.687 12.251 9.914 1.00 0.47 C ATOM 453 O3' DT B 7 3.880 12.952 9.573 1.00 0.50 O ATOM 454 C2' DT B 7 1.762 12.472 8.755 1.00 0.41 C ATOM 455 C1' DT B 7 2.211 11.420 7.769 1.00 0.30 C ATOM 456 N1 DT B 7 1.275 11.248 6.642 1.00 0.29 N ATOM 457 C2 DT B 7 1.816 11.199 5.372 1.00 0.28 C ATOM 458 O2 DT B 7 3.017 11.278 5.135 1.00 0.28 O ATOM 459 N3 DT B 7 0.930 11.051 4.346 1.00 0.37 N ATOM 460 C4 DT B 7 -0.430 10.946 4.455 1.00 0.46 C ATOM 461 O4 DT B 7 -1.093 10.814 3.434 1.00 0.56 O ATOM 462 C5 DT B 7 -0.927 11.001 5.807 1.00 0.47 C ATOM 463 C7 DT B 7 -2.426 10.900 6.070 1.00 0.65 C ATOM 464 C6 DT B 7 -0.079 11.148 6.839 1.00 0.40 C ATOM 0 H5' DT B 7 2.289 8.965 10.954 1.00 0.48 H new ATOM 0 H5'' DT B 7 2.700 10.343 11.957 1.00 0.48 H new ATOM 0 H4' DT B 7 3.900 10.451 9.885 1.00 0.42 H new ATOM 0 H3' DT B 7 2.384 12.584 10.907 1.00 0.47 H new ATOM 0 H2' DT B 7 0.718 12.342 9.039 1.00 0.41 H new ATOM 0 H2'' DT B 7 1.858 13.478 8.346 1.00 0.41 H new ATOM 0 H1' DT B 7 3.149 11.662 7.269 1.00 0.30 H new ATOM 0 H3 DT B 7 1.320 11.015 3.404 1.00 0.37 H new ATOM 0 H71 DT B 7 -2.594 10.438 7.043 1.00 0.65 H new ATOM 0 H72 DT B 7 -2.865 11.898 6.061 1.00 0.65 H new ATOM 0 H73 DT B 7 -2.891 10.292 5.294 1.00 0.65 H new ATOM 0 H6 DT B 7 -0.471 11.188 7.844 1.00 0.40 H new ATOM 477 P DC B 8 5.136 13.051 10.552 1.00 0.75 P ATOM 478 OP1 DC B 8 5.762 11.712 10.640 1.00 0.71 O ATOM 479 OP2 DC B 8 4.728 13.768 11.779 1.00 0.99 O ATOM 480 O5' DC B 8 6.095 14.028 9.707 1.00 0.87 O ATOM 481 C5' DC B 8 6.836 13.607 8.555 1.00 0.90 C ATOM 482 C4' DC B 8 6.287 14.175 7.239 1.00 0.83 C ATOM 483 O4' DC B 8 4.972 13.736 6.846 1.00 0.66 O ATOM 484 C3' DC B 8 6.130 15.691 7.297 1.00 0.92 C ATOM 485 O3' DC B 8 7.351 16.419 7.186 1.00 1.10 O ATOM 486 C2' DC B 8 5.183 15.965 6.126 1.00 0.83 C ATOM 487 C1' DC B 8 4.550 14.635 5.794 1.00 0.69 C ATOM 488 N1 DC B 8 3.080 14.718 5.672 1.00 0.58 N ATOM 489 C2 DC B 8 2.494 14.277 4.495 1.00 0.50 C ATOM 490 O2 DC B 8 3.148 13.848 3.550 1.00 0.58 O ATOM 491 N3 DC B 8 1.151 14.340 4.382 1.00 0.41 N ATOM 492 C4 DC B 8 0.405 14.815 5.376 1.00 0.43 C ATOM 493 N4 DC B 8 -0.905 14.848 5.196 1.00 0.45 N ATOM 494 C5 DC B 8 0.983 15.277 6.596 1.00 0.52 C ATOM 495 C6 DC B 8 2.327 15.209 6.697 1.00 0.58 C ATOM 0 H5' DC B 8 6.828 12.518 8.504 1.00 0.90 H new ATOM 0 H5'' DC B 8 7.876 13.913 8.669 1.00 0.90 H new ATOM 0 H4' DC B 8 7.034 13.813 6.532 1.00 0.83 H new ATOM 0 H3' DC B 8 5.756 16.025 8.265 1.00 0.92 H new ATOM 0 H2' DC B 8 4.427 16.702 6.398 1.00 0.83 H new ATOM 0 H2'' DC B 8 5.725 16.366 5.269 1.00 0.83 H new ATOM 0 HO3' DC B 8 7.164 17.380 7.230 1.00 1.10 H new ATOM 0 H1' DC B 8 4.871 14.278 4.816 1.00 0.69 H new ATOM 0 H41 DC B 8 -1.512 15.205 5.934 1.00 0.45 H new ATOM 0 H42 DC B 8 -1.308 14.517 4.319 1.00 0.45 H new ATOM 0 H5 DC B 8 0.374 15.663 7.400 1.00 0.52 H new ATOM 0 H6 DC B 8 2.812 15.548 7.601 1.00 0.58 H new TER 508 DC B 8 HETATM 509 C1 MNG B 9 -2.303 4.579 2.860 1.00 0.24 C HETATM 510 C2 MNG B 9 -2.480 4.633 1.476 1.00 0.22 C HETATM 511 C3 MNG B 9 -1.386 4.750 0.640 1.00 0.23 C HETATM 512 C4 MNG B 9 -0.103 4.818 1.142 1.00 0.22 C HETATM 513 C5 MNG B 9 1.431 4.840 3.066 1.00 0.21 C HETATM 514 C6 MNG B 9 2.971 4.871 4.993 1.00 0.24 C HETATM 515 C7 MNG B 9 4.635 4.913 6.976 1.00 0.26 C HETATM 516 C8 MNG B 9 4.634 4.607 8.466 1.00 0.33 C HETATM 517 C9 MNG B 9 3.497 5.259 9.225 1.00 0.38 C HETATM 518 C10 MNG B 9 2.192 4.650 8.749 1.00 0.35 C HETATM 519 C11 MNG B 9 0.807 4.631 6.680 1.00 0.29 C HETATM 520 C12 MNG B 9 -0.759 4.599 4.791 1.00 0.25 C HETATM 521 C16 MNG B 9 -0.995 4.646 3.407 1.00 0.23 C HETATM 522 C17 MNG B 9 0.131 4.770 2.523 1.00 0.20 C HETATM 523 C18 MNG B 9 1.659 4.795 4.447 1.00 0.22 C HETATM 524 C19 MNG B 9 3.191 4.827 6.380 1.00 0.25 C HETATM 525 C20 MNG B 9 2.077 4.705 7.220 1.00 0.29 C HETATM 526 C21 MNG B 9 0.552 4.674 5.313 1.00 0.25 C HETATM 527 C1' MNG B 9 -4.739 4.471 3.166 1.00 0.32 C HETATM 528 C2' MNG B 9 -5.327 5.923 3.131 1.00 0.38 C HETATM 529 C3' MNG B 9 -4.519 6.789 2.111 1.00 0.34 C HETATM 530 C4' MNG B 9 -4.418 6.021 0.673 1.00 0.30 C HETATM 531 C5' MNG B 9 -3.908 4.564 0.911 1.00 0.25 C HETATM 532 C5M MNG B 9 -3.961 3.759 -0.405 1.00 0.27 C HETATM 533 C1M MNG B 9 -6.016 8.401 0.765 1.00 0.71 C HETATM 534 C2M MNG B 9 -4.403 9.312 2.493 1.00 0.44 C HETATM 535 C7M MNG B 9 6.909 4.104 6.641 1.00 0.48 C HETATM 536 C9M MNG B 9 3.484 6.777 9.035 1.00 0.40 C HETATM 537 O1 MNG B 9 -3.413 4.461 3.695 1.00 0.29 O HETATM 538 O4 MNG B 9 0.928 4.935 0.240 1.00 0.27 O HETATM 539 O5 MNG B 9 2.448 4.948 2.373 1.00 0.24 O HETATM 540 O6 MNG B 9 4.046 4.993 4.130 1.00 0.25 O HETATM 541 O7 MNG B 9 5.513 3.987 6.325 1.00 0.35 O HETATM 542 O9 MNG B 9 3.672 5.027 10.593 1.00 0.53 O HETATM 543 O12 MNG B 9 -1.700 4.495 5.574 1.00 0.33 O HETATM 544 O1' MNG B 9 -4.772 3.908 1.846 1.00 0.29 O HETATM 545 O2' MNG B 9 -5.285 6.518 4.423 1.00 0.46 O HETATM 546 O4' MNG B 9 -3.543 6.717 -0.213 1.00 0.34 O HETATM 547 N1 MNG B 9 -5.140 8.143 1.940 1.00 0.46 N HETATM 0 HO4' MNG B 9 -3.730 6.447 -1.136 1.00 0.34 H new HETATM 0 HO2' MNG B 9 -4.375 6.828 4.611 1.00 0.46 H new HETATM 0 H9M3 MNG B 9 4.422 7.197 9.397 1.00 0.40 H new HETATM 0 H9M2 MNG B 9 3.367 7.010 7.977 1.00 0.40 H new HETATM 0 H9M1 MNG B 9 2.654 7.207 9.595 1.00 0.40 H new HETATM 0 H7M3 MNG B 9 7.263 5.097 6.364 1.00 0.48 H new HETATM 0 H7M2 MNG B 9 7.054 3.952 7.711 1.00 0.48 H new HETATM 0 H7M1 MNG B 9 7.471 3.351 6.088 1.00 0.48 H new HETATM 0 H5M3 MNG B 9 -3.320 4.234 -1.148 1.00 0.27 H new HETATM 0 H5M2 MNG B 9 -3.614 2.742 -0.224 1.00 0.27 H new HETATM 0 H5M1 MNG B 9 -4.986 3.732 -0.774 1.00 0.27 H new HETATM 0 H2M3 MNG B 9 -4.277 9.187 3.568 1.00 0.44 H new HETATM 0 H2M2 MNG B 9 -3.424 9.382 2.019 1.00 0.44 H new HETATM 0 H2M1 MNG B 9 -4.967 10.224 2.297 1.00 0.44 H new HETATM 0 H1M3 MNG B 9 -5.448 8.247 -0.153 1.00 0.71 H new HETATM 0 H1M2 MNG B 9 -6.864 7.717 0.786 1.00 0.71 H new HETATM 0 H1M1 MNG B 9 -6.378 9.428 0.800 1.00 0.71 H new HETATM 0 H102 MNG B 9 2.128 3.615 9.084 1.00 0.35 H new HETATM 0 H101 MNG B 9 1.354 5.183 9.198 1.00 0.35 H new HETATM 0 HO9 MNG B 9 2.941 5.447 11.092 1.00 0.53 H new HETATM 0 HO6 MNG B 9 3.830 4.564 3.276 1.00 0.25 H new HETATM 0 HO4 MNG B 9 1.270 5.853 0.251 1.00 0.27 H new HETATM 0 H82 MNG B 9 4.579 3.527 8.605 1.00 0.33 H new HETATM 0 H81 MNG B 9 5.580 4.936 8.895 1.00 0.33 H new HETATM 0 H7 MNG B 9 4.986 5.932 6.813 1.00 0.26 H new HETATM 0 H4' MNG B 9 -5.405 5.993 0.210 1.00 0.30 H new HETATM 0 H3' MNG B 9 -3.513 6.929 2.507 1.00 0.34 H new HETATM 0 H3 MNG B 9 -1.540 4.789 -0.438 1.00 0.23 H new HETATM 0 H2' MNG B 9 -6.369 5.872 2.817 1.00 0.38 H new HETATM 0 H11 MNG B 9 -0.039 4.534 7.361 1.00 0.29 H new HETATM 0 H1' MNG B 9 -5.353 3.860 3.828 1.00 0.32 H new HETATM 579 C1 MNG A 9 2.871 -5.147 2.220 1.00 0.24 C HETATM 580 C2 MNG A 9 2.524 -5.284 0.875 1.00 0.29 C HETATM 581 C3 MNG A 9 1.200 -5.431 0.510 1.00 0.27 C HETATM 582 C4 MNG A 9 0.193 -5.445 1.453 1.00 0.27 C HETATM 583 C5 MNG A 9 -0.521 -5.329 3.805 1.00 0.26 C HETATM 584 C6 MNG A 9 -1.240 -5.220 6.162 1.00 0.28 C HETATM 585 C7 MNG A 9 -2.052 -5.118 8.616 1.00 0.35 C HETATM 586 C8 MNG A 9 -1.502 -4.729 9.980 1.00 0.40 C HETATM 587 C9 MNG A 9 -0.161 -5.356 10.303 1.00 0.41 C HETATM 588 C10 MNG A 9 0.872 -4.797 9.343 1.00 0.32 C HETATM 589 C11 MNG A 9 1.394 -4.924 6.913 1.00 0.24 C HETATM 590 C12 MNG A 9 2.149 -5.028 4.581 1.00 0.19 C HETATM 591 C16 MNG A 9 1.858 -5.159 3.213 1.00 0.21 C HETATM 592 C17 MNG A 9 0.487 -5.313 2.817 1.00 0.24 C HETATM 593 C18 MNG A 9 -0.222 -5.200 5.166 1.00 0.24 C HETATM 594 C19 MNG A 9 -0.932 -5.093 7.526 1.00 0.29 C HETATM 595 C20 MNG A 9 0.414 -4.944 7.886 1.00 0.27 C HETATM 596 C21 MNG A 9 1.126 -5.048 5.553 1.00 0.22 C HETATM 597 C1' MNG A 9 5.247 -5.064 1.596 1.00 0.29 C HETATM 598 C2' MNG A 9 5.788 -6.526 1.434 1.00 0.30 C HETATM 599 C3' MNG A 9 4.665 -7.435 0.838 1.00 0.31 C HETATM 600 C4' MNG A 9 4.034 -6.749 -0.504 1.00 0.34 C HETATM 601 C5' MNG A 9 3.640 -5.272 -0.182 1.00 0.31 C HETATM 602 C5M MNG A 9 3.197 -4.543 -1.467 1.00 0.39 C HETATM 603 C1M MNG A 9 5.565 -9.151 -0.866 1.00 0.56 C HETATM 604 C2M MNG A 9 4.708 -9.933 1.385 1.00 0.31 C HETATM 605 C7M MNG A 9 -4.293 -4.290 9.099 1.00 0.57 C HETATM 606 C9M MNG A 9 -0.214 -6.882 10.211 1.00 0.45 C HETATM 607 O1 MNG A 9 4.211 -5.000 2.576 1.00 0.27 O HETATM 608 O4 MNG A 9 -1.097 -5.594 1.003 1.00 0.34 O HETATM 609 O5 MNG A 9 -1.722 -5.459 3.542 1.00 0.32 O HETATM 610 O6 MNG A 9 -2.558 -5.373 5.767 1.00 0.34 O HETATM 611 O7 MNG A 9 -3.114 -4.215 8.283 1.00 0.42 O HETATM 612 O9 MNG A 9 0.184 -5.044 11.622 1.00 0.51 O HETATM 613 O12 MNG A 9 3.314 -4.897 4.953 1.00 0.22 O HETATM 614 O1' MNG A 9 4.785 -4.577 0.328 1.00 0.33 O HETATM 615 O2' MNG A 9 6.230 -7.044 2.682 1.00 0.30 O HETATM 616 O4' MNG A 9 2.897 -7.477 -0.959 1.00 0.37 O HETATM 617 N1 MNG A 9 5.186 -8.809 0.532 1.00 0.33 N HETATM 0 HO4' MNG A 9 2.727 -7.264 -1.900 1.00 0.37 H new HETATM 0 HO2' MNG A 9 5.477 -7.076 3.308 1.00 0.30 H new HETATM 0 H9M3 MNG A 9 -0.950 -7.264 10.918 1.00 0.45 H new HETATM 0 H9M2 MNG A 9 -0.495 -7.176 9.200 1.00 0.45 H new HETATM 0 H9M1 MNG A 9 0.766 -7.295 10.449 1.00 0.45 H new HETATM 0 H7M3 MNG A 9 -4.719 -5.291 9.031 1.00 0.57 H new HETATM 0 H7M2 MNG A 9 -4.032 -4.076 10.135 1.00 0.57 H new HETATM 0 H7M1 MNG A 9 -5.024 -3.560 8.750 1.00 0.57 H new HETATM 0 H5M3 MNG A 9 2.328 -5.047 -1.890 1.00 0.39 H new HETATM 0 H5M2 MNG A 9 2.938 -3.511 -1.229 1.00 0.39 H new HETATM 0 H5M1 MNG A 9 4.012 -4.555 -2.191 1.00 0.39 H new HETATM 0 H2M3 MNG A 9 4.984 -9.745 2.423 1.00 0.31 H new HETATM 0 H2M2 MNG A 9 3.624 -10.013 1.307 1.00 0.31 H new HETATM 0 H2M1 MNG A 9 5.165 -10.864 1.050 1.00 0.31 H new HETATM 0 H1M3 MNG A 9 4.697 -9.041 -1.516 1.00 0.56 H new HETATM 0 H1M2 MNG A 9 6.357 -8.482 -1.202 1.00 0.56 H new HETATM 0 H1M1 MNG A 9 5.920 -10.181 -0.905 1.00 0.56 H new HETATM 0 H102 MNG A 9 1.048 -3.745 9.567 1.00 0.32 H new HETATM 0 H101 MNG A 9 1.820 -5.316 9.483 1.00 0.32 H new HETATM 0 HO9 MNG A 9 1.050 -5.448 11.838 1.00 0.51 H new HETATM 0 HO6 MNG A 9 -2.672 -5.013 4.863 1.00 0.34 H new HETATM 0 HO4 MNG A 9 -1.416 -6.495 1.217 1.00 0.34 H new HETATM 0 H82 MNG A 9 -1.405 -3.644 10.026 1.00 0.40 H new HETATM 0 H81 MNG A 9 -2.221 -5.018 10.747 1.00 0.40 H new HETATM 0 H7 MNG A 9 -2.433 -6.138 8.653 1.00 0.35 H new HETATM 0 H4' MNG A 9 4.780 -6.765 -1.299 1.00 0.34 H new HETATM 0 H3' MNG A 9 3.877 -7.535 1.585 1.00 0.31 H new HETATM 0 H3 MNG A 9 0.946 -5.538 -0.544 1.00 0.27 H new HETATM 0 H2' MNG A 9 6.640 -6.511 0.755 1.00 0.30 H new HETATM 0 H11 MNG A 9 2.431 -4.805 7.227 1.00 0.24 H new HETATM 0 H1' MNG A 9 6.061 -4.428 1.944 1.00 0.29 H new