USER MOD reduce.3.24.130724 H: found=0, std=0, add=195, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 196 hydrogens (14 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 1 PSO H3 : B 1 PSO C3 : B 12 DT C6 :(H bumps) USER MOD Single : A 1 DG O5' : rot 28:sc= 0.0633 USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.34 (180deg=-1.34) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 PSO O14 : rot 180:sc= -0.65 USER MOD Single : B 9 DG O5' : rot -7:sc= 1.2 USER MOD Single : B 12 DT C7 :methyl 150:sc= -1.78 (180deg=-1.78) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 1.288 -12.244 9.557 1.00 0.00 O ATOM 2 C5' DG A 1 2.604 -12.750 9.587 1.00 0.00 C ATOM 3 C4' DG A 1 3.428 -12.135 8.451 1.00 0.00 C ATOM 4 O4' DG A 1 2.738 -12.326 7.224 1.00 0.00 O ATOM 5 C3' DG A 1 3.650 -10.626 8.628 1.00 0.00 C ATOM 6 O3' DG A 1 4.992 -10.341 8.273 1.00 0.00 O ATOM 7 C2' DG A 1 2.632 -10.047 7.647 1.00 0.00 C ATOM 8 C1' DG A 1 2.671 -11.091 6.534 1.00 0.00 C ATOM 9 N9 DG A 1 1.497 -11.081 5.629 1.00 0.00 N ATOM 10 C8 DG A 1 0.191 -10.753 5.898 1.00 0.00 C ATOM 11 N7 DG A 1 -0.623 -10.921 4.895 1.00 0.00 N ATOM 12 C5 DG A 1 0.194 -11.412 3.881 1.00 0.00 C ATOM 13 C6 DG A 1 -0.116 -11.782 2.537 1.00 0.00 C ATOM 14 O6 DG A 1 -1.199 -11.721 1.959 1.00 0.00 O ATOM 15 N1 DG A 1 0.983 -12.265 1.845 1.00 0.00 N ATOM 16 C2 DG A 1 2.248 -12.347 2.371 1.00 0.00 C ATOM 17 N2 DG A 1 3.210 -12.860 1.612 1.00 0.00 N ATOM 18 N3 DG A 1 2.563 -11.958 3.611 1.00 0.00 N ATOM 19 C4 DG A 1 1.491 -11.513 4.320 1.00 0.00 C ATOM 0 H5' DG A 1 2.587 -13.835 9.489 1.00 0.00 H new ATOM 0 H5'' DG A 1 3.068 -12.524 10.547 1.00 0.00 H new ATOM 0 H4' DG A 1 4.400 -12.629 8.459 1.00 0.00 H new ATOM 0 H3' DG A 1 3.514 -10.225 9.632 1.00 0.00 H new ATOM 0 H2' DG A 1 1.640 -9.953 8.090 1.00 0.00 H new ATOM 0 H2'' DG A 1 2.918 -9.056 7.293 1.00 0.00 H new ATOM 0 HO5' DG A 1 1.057 -11.988 8.640 1.00 0.00 H new ATOM 0 H1' DG A 1 3.513 -10.893 5.871 1.00 0.00 H new ATOM 0 H8 DG A 1 -0.134 -10.386 6.860 1.00 0.00 H new ATOM 0 H1 DG A 1 0.843 -12.579 0.885 1.00 0.00 H new ATOM 0 H21 DG A 1 4.161 -12.934 1.974 1.00 0.00 H new ATOM 0 H22 DG A 1 2.998 -13.180 0.667 1.00 0.00 H new ATOM 32 P DC A 2 5.660 -8.884 8.455 1.00 0.00 P ATOM 33 OP1 DC A 2 6.937 -9.050 9.183 1.00 0.00 O ATOM 34 OP2 DC A 2 4.631 -7.956 8.972 1.00 0.00 O ATOM 35 O5' DC A 2 5.990 -8.487 6.932 1.00 0.00 O ATOM 36 C5' DC A 2 7.037 -9.124 6.226 1.00 0.00 C ATOM 37 C4' DC A 2 6.880 -8.851 4.729 1.00 0.00 C ATOM 38 O4' DC A 2 5.619 -9.348 4.321 1.00 0.00 O ATOM 39 C3' DC A 2 6.889 -7.347 4.400 1.00 0.00 C ATOM 40 O3' DC A 2 7.573 -7.017 3.203 1.00 0.00 O ATOM 41 C2' DC A 2 5.439 -7.045 4.121 1.00 0.00 C ATOM 42 C1' DC A 2 5.036 -8.367 3.497 1.00 0.00 C ATOM 43 N1 DC A 2 3.575 -8.513 3.396 1.00 0.00 N ATOM 44 C2 DC A 2 3.056 -8.983 2.205 1.00 0.00 C ATOM 45 O2 DC A 2 3.781 -9.434 1.327 1.00 0.00 O ATOM 46 N3 DC A 2 1.719 -8.945 2.002 1.00 0.00 N ATOM 47 C4 DC A 2 0.910 -8.460 2.944 1.00 0.00 C ATOM 48 N4 DC A 2 -0.383 -8.462 2.652 1.00 0.00 N ATOM 49 C5 DC A 2 1.408 -8.072 4.235 1.00 0.00 C ATOM 50 C6 DC A 2 2.753 -8.117 4.409 1.00 0.00 C ATOM 0 H5' DC A 2 7.018 -10.197 6.415 1.00 0.00 H new ATOM 0 H5'' DC A 2 8.002 -8.756 6.575 1.00 0.00 H new ATOM 0 H4' DC A 2 7.716 -9.329 4.219 1.00 0.00 H new ATOM 0 H3' DC A 2 7.373 -6.805 5.213 1.00 0.00 H new ATOM 0 H2' DC A 2 4.875 -6.817 5.025 1.00 0.00 H new ATOM 0 H2'' DC A 2 5.308 -6.202 3.443 1.00 0.00 H new ATOM 0 H1' DC A 2 5.383 -8.451 2.467 1.00 0.00 H new ATOM 0 H41 DC A 2 -1.059 -8.105 3.327 1.00 0.00 H new ATOM 0 H42 DC A 2 -0.702 -8.820 1.752 1.00 0.00 H new ATOM 0 H5 DC A 2 0.744 -7.760 5.028 1.00 0.00 H new ATOM 0 H6 DC A 2 3.177 -7.836 5.361 1.00 0.00 H new ATOM 62 P DG A 3 9.153 -7.217 3.001 1.00 0.00 P ATOM 63 OP1 DG A 3 9.351 -8.342 2.063 1.00 0.00 O ATOM 64 OP2 DG A 3 9.765 -7.269 4.346 1.00 0.00 O ATOM 65 O5' DG A 3 9.620 -5.847 2.277 1.00 0.00 O ATOM 66 C5' DG A 3 9.088 -5.404 1.035 1.00 0.00 C ATOM 67 C4' DG A 3 7.852 -4.489 1.170 1.00 0.00 C ATOM 68 O4' DG A 3 6.622 -5.136 0.922 1.00 0.00 O ATOM 69 C3' DG A 3 7.665 -3.834 2.521 1.00 0.00 C ATOM 70 O3' DG A 3 8.605 -2.817 2.739 1.00 0.00 O ATOM 71 C2' DG A 3 6.156 -3.606 2.629 1.00 0.00 C ATOM 72 C1' DG A 3 5.613 -4.218 1.314 1.00 0.00 C ATOM 73 N9 DG A 3 4.304 -4.856 1.489 1.00 0.00 N ATOM 74 C8 DG A 3 3.443 -4.555 2.484 1.00 0.00 C ATOM 75 N7 DG A 3 2.248 -5.051 2.366 1.00 0.00 N ATOM 76 C5 DG A 3 2.305 -5.675 1.124 1.00 0.00 C ATOM 77 C6 DG A 3 1.255 -6.217 0.329 1.00 0.00 C ATOM 78 O6 DG A 3 0.089 -6.424 0.649 1.00 0.00 O ATOM 79 N1 DG A 3 1.670 -6.525 -0.953 1.00 0.00 N ATOM 80 C2 DG A 3 2.970 -6.473 -1.386 1.00 0.00 C ATOM 81 N2 DG A 3 3.230 -6.841 -2.634 1.00 0.00 N ATOM 82 N3 DG A 3 3.967 -5.973 -0.653 1.00 0.00 N ATOM 83 C4 DG A 3 3.561 -5.558 0.574 1.00 0.00 C ATOM 0 H5' DG A 3 8.819 -6.274 0.436 1.00 0.00 H new ATOM 0 H5'' DG A 3 9.865 -4.869 0.489 1.00 0.00 H new ATOM 0 H4' DG A 3 8.086 -3.743 0.410 1.00 0.00 H new ATOM 0 H3' DG A 3 7.920 -4.419 3.405 1.00 0.00 H new ATOM 0 H2' DG A 3 5.736 -4.098 3.506 1.00 0.00 H new ATOM 0 H2'' DG A 3 5.913 -2.547 2.711 1.00 0.00 H new ATOM 0 H1' DG A 3 5.427 -3.462 0.552 1.00 0.00 H new ATOM 0 H8 DG A 3 3.729 -3.941 3.325 1.00 0.00 H new ATOM 0 H1 DG A 3 0.958 -6.811 -1.625 1.00 0.00 H new ATOM 0 H21 DG A 3 4.187 -6.813 -2.985 1.00 0.00 H new ATOM 0 H22 DG A 3 2.473 -7.152 -3.242 1.00 0.00 H new ATOM 95 P DT A 4 8.823 -2.178 4.194 1.00 0.00 P ATOM 96 OP1 DT A 4 10.164 -1.558 4.228 1.00 0.00 O ATOM 97 OP2 DT A 4 8.439 -3.176 5.217 1.00 0.00 O ATOM 98 O5' DT A 4 7.719 -1.028 4.128 1.00 0.00 O ATOM 99 C5' DT A 4 7.881 0.056 3.245 1.00 0.00 C ATOM 100 C4' DT A 4 7.842 -0.352 1.736 1.00 0.00 C ATOM 101 O4' DT A 4 6.867 -1.313 1.240 1.00 0.00 O ATOM 102 C3' DT A 4 7.487 0.854 0.884 1.00 0.00 C ATOM 103 O3' DT A 4 7.981 0.540 -0.397 1.00 0.00 O ATOM 104 C2' DT A 4 6.017 0.641 0.978 1.00 0.00 C ATOM 105 C1' DT A 4 5.703 -0.731 0.605 1.00 0.00 C ATOM 106 N1 DT A 4 4.384 -1.130 1.233 1.00 0.00 N ATOM 107 C2 DT A 4 3.434 -1.828 0.490 1.00 0.00 C ATOM 108 O2 DT A 4 3.633 -2.146 -0.676 1.00 0.00 O ATOM 109 N3 DT A 4 2.244 -2.163 1.103 1.00 0.00 N ATOM 110 C4 DT A 4 1.825 -1.823 2.369 1.00 0.00 C ATOM 111 O4 DT A 4 0.798 -2.317 2.827 1.00 0.00 O ATOM 112 C5 DT A 4 2.657 -0.826 3.184 1.00 0.00 C ATOM 113 C7 DT A 4 2.892 -1.256 4.632 1.00 0.00 C ATOM 114 C6 DT A 4 3.977 -0.442 2.509 1.00 0.00 C ATOM 0 H5' DT A 4 8.832 0.546 3.455 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.096 0.788 3.435 1.00 0.00 H new ATOM 0 H4' DT A 4 8.834 -0.798 1.664 1.00 0.00 H new ATOM 0 H3' DT A 4 7.836 1.857 1.131 1.00 0.00 H new ATOM 0 H2' DT A 4 5.673 0.841 1.993 1.00 0.00 H new ATOM 0 H2'' DT A 4 5.495 1.337 0.321 1.00 0.00 H new ATOM 0 H1' DT A 4 5.563 -0.993 -0.444 1.00 0.00 H new ATOM 0 H3 DT A 4 1.599 -2.730 0.553 1.00 0.00 H new ATOM 0 H71 DT A 4 3.845 -0.858 4.980 1.00 0.00 H new ATOM 0 H72 DT A 4 2.088 -0.873 5.260 1.00 0.00 H new ATOM 0 H73 DT A 4 2.910 -2.344 4.690 1.00 0.00 H new ATOM 0 H6 DT A 4 4.611 0.316 2.945 1.00 0.00 H new ATOM 127 P DA A 5 9.548 0.458 -0.719 1.00 0.00 P ATOM 128 OP1 DA A 5 9.865 -0.907 -1.191 1.00 0.00 O ATOM 129 OP2 DA A 5 10.282 1.049 0.421 1.00 0.00 O ATOM 130 O5' DA A 5 9.553 1.479 -1.920 1.00 0.00 O ATOM 131 C5' DA A 5 8.783 2.646 -1.809 1.00 0.00 C ATOM 132 C4' DA A 5 7.417 2.498 -2.489 1.00 0.00 C ATOM 133 O4' DA A 5 6.336 2.128 -1.635 1.00 0.00 O ATOM 134 C3' DA A 5 7.134 3.886 -3.015 1.00 0.00 C ATOM 135 O3' DA A 5 7.346 4.122 -4.406 1.00 0.00 O ATOM 136 C2' DA A 5 5.723 4.052 -2.579 1.00 0.00 C ATOM 137 C1' DA A 5 5.147 2.816 -1.992 1.00 0.00 C ATOM 138 N9 DA A 5 4.379 3.220 -0.778 1.00 0.00 N ATOM 139 C8 DA A 5 4.946 3.875 0.284 1.00 0.00 C ATOM 140 N7 DA A 5 4.117 4.450 1.100 1.00 0.00 N ATOM 141 C5 DA A 5 2.888 4.092 0.561 1.00 0.00 C ATOM 142 C6 DA A 5 1.564 4.309 0.975 1.00 0.00 C ATOM 143 N6 DA A 5 1.255 4.787 2.173 1.00 0.00 N ATOM 144 N1 DA A 5 0.577 4.053 0.112 1.00 0.00 N ATOM 145 C2 DA A 5 0.895 3.546 -1.069 1.00 0.00 C ATOM 146 N3 DA A 5 2.079 3.226 -1.560 1.00 0.00 N ATOM 147 C4 DA A 5 3.046 3.504 -0.666 1.00 0.00 C ATOM 0 H5' DA A 5 9.323 3.481 -2.257 1.00 0.00 H new ATOM 0 H5'' DA A 5 8.640 2.887 -0.756 1.00 0.00 H new ATOM 0 H4' DA A 5 7.474 1.696 -3.225 1.00 0.00 H new ATOM 0 H3' DA A 5 7.839 4.623 -2.632 1.00 0.00 H new ATOM 0 H2' DA A 5 5.668 4.856 -1.845 1.00 0.00 H new ATOM 0 H2'' DA A 5 5.118 4.358 -3.433 1.00 0.00 H new ATOM 0 H1' DA A 5 4.477 2.233 -2.623 1.00 0.00 H new ATOM 0 H8 DA A 5 6.015 3.910 0.432 1.00 0.00 H new ATOM 0 H61 DA A 5 0.278 4.928 2.429 1.00 0.00 H new ATOM 0 H62 DA A 5 1.995 5.014 2.838 1.00 0.00 H new ATOM 0 H2 DA A 5 0.061 3.367 -1.731 1.00 0.00 H new ATOM 159 P DC A 6 6.546 3.374 -5.619 1.00 0.00 P ATOM 160 OP1 DC A 6 6.667 1.913 -5.435 1.00 0.00 O ATOM 161 OP2 DC A 6 7.018 3.979 -6.883 1.00 0.00 O ATOM 162 O5' DC A 6 4.986 3.763 -5.441 1.00 0.00 O ATOM 163 C5' DC A 6 4.510 5.048 -5.785 1.00 0.00 C ATOM 164 C4' DC A 6 3.005 5.181 -5.503 1.00 0.00 C ATOM 165 O4' DC A 6 2.707 5.045 -4.108 1.00 0.00 O ATOM 166 C3' DC A 6 2.545 6.589 -5.915 1.00 0.00 C ATOM 167 O3' DC A 6 1.306 6.527 -6.604 1.00 0.00 O ATOM 168 C2' DC A 6 2.411 7.219 -4.539 1.00 0.00 C ATOM 169 C1' DC A 6 1.795 6.078 -3.762 1.00 0.00 C ATOM 170 N1 DC A 6 1.750 6.454 -2.326 1.00 0.00 N ATOM 171 C2 DC A 6 0.528 6.763 -1.726 1.00 0.00 C ATOM 172 O2 DC A 6 -0.535 6.668 -2.337 1.00 0.00 O ATOM 173 N3 DC A 6 0.510 7.181 -0.429 1.00 0.00 N ATOM 174 C4 DC A 6 1.654 7.338 0.245 1.00 0.00 C ATOM 175 N4 DC A 6 1.599 7.693 1.521 1.00 0.00 N ATOM 176 C5 DC A 6 2.912 7.002 -0.341 1.00 0.00 C ATOM 177 C6 DC A 6 2.908 6.582 -1.614 1.00 0.00 C ATOM 0 H5' DC A 6 4.702 5.239 -6.841 1.00 0.00 H new ATOM 0 H5'' DC A 6 5.056 5.804 -5.220 1.00 0.00 H new ATOM 0 H4' DC A 6 2.499 4.394 -6.062 1.00 0.00 H new ATOM 0 H3' DC A 6 3.201 7.129 -6.597 1.00 0.00 H new ATOM 0 H2' DC A 6 3.374 7.525 -4.130 1.00 0.00 H new ATOM 0 H2'' DC A 6 1.773 8.103 -4.550 1.00 0.00 H new ATOM 0 H1' DC A 6 0.764 5.794 -3.974 1.00 0.00 H new ATOM 0 H41 DC A 6 2.460 7.818 2.053 1.00 0.00 H new ATOM 0 H42 DC A 6 0.696 7.841 1.971 1.00 0.00 H new ATOM 0 H5 DC A 6 3.831 7.083 0.220 1.00 0.00 H new ATOM 0 H6 DC A 6 3.847 6.338 -2.090 1.00 0.00 H new ATOM 189 P DG A 7 0.567 7.849 -7.174 1.00 0.00 P ATOM 190 OP1 DG A 7 0.060 7.532 -8.527 1.00 0.00 O ATOM 191 OP2 DG A 7 1.480 8.998 -6.993 1.00 0.00 O ATOM 192 O5' DG A 7 -0.705 8.062 -6.195 1.00 0.00 O ATOM 193 C5' DG A 7 -1.824 7.198 -6.260 1.00 0.00 C ATOM 194 C4' DG A 7 -3.070 7.750 -5.551 1.00 0.00 C ATOM 195 O4' DG A 7 -2.814 7.912 -4.167 1.00 0.00 O ATOM 196 C3' DG A 7 -3.516 9.115 -6.091 1.00 0.00 C ATOM 197 O3' DG A 7 -4.933 9.182 -6.041 1.00 0.00 O ATOM 198 C2' DG A 7 -2.823 10.045 -5.115 1.00 0.00 C ATOM 199 C1' DG A 7 -2.989 9.271 -3.806 1.00 0.00 C ATOM 200 N9 DG A 7 -1.982 9.625 -2.788 1.00 0.00 N ATOM 201 C8 DG A 7 -0.627 9.733 -2.959 1.00 0.00 C ATOM 202 N7 DG A 7 0.033 9.966 -1.862 1.00 0.00 N ATOM 203 C5 DG A 7 -0.953 9.949 -0.876 1.00 0.00 C ATOM 204 C6 DG A 7 -0.845 10.050 0.543 1.00 0.00 C ATOM 205 O6 DG A 7 0.148 10.319 1.211 1.00 0.00 O ATOM 206 N1 DG A 7 -2.043 9.803 1.198 1.00 0.00 N ATOM 207 C2 DG A 7 -3.244 9.645 0.561 1.00 0.00 C ATOM 208 N2 DG A 7 -4.322 9.440 1.312 1.00 0.00 N ATOM 209 N3 DG A 7 -3.377 9.630 -0.771 1.00 0.00 N ATOM 210 C4 DG A 7 -2.189 9.735 -1.431 1.00 0.00 C ATOM 0 H5' DG A 7 -1.558 6.239 -5.815 1.00 0.00 H new ATOM 0 H5'' DG A 7 -2.066 7.008 -7.306 1.00 0.00 H new ATOM 0 H4' DG A 7 -3.861 7.023 -5.735 1.00 0.00 H new ATOM 0 H3' DG A 7 -3.265 9.345 -7.126 1.00 0.00 H new ATOM 0 H2' DG A 7 -1.775 10.204 -5.370 1.00 0.00 H new ATOM 0 H2'' DG A 7 -3.294 11.027 -5.076 1.00 0.00 H new ATOM 0 H1' DG A 7 -3.958 9.497 -3.361 1.00 0.00 H new ATOM 0 H8 DG A 7 -0.148 9.633 -3.922 1.00 0.00 H new ATOM 0 H1 DG A 7 -2.028 9.735 2.216 1.00 0.00 H new ATOM 0 H21 DG A 7 -5.234 9.318 0.872 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.237 9.405 2.328 1.00 0.00 H new ATOM 222 P DC A 8 -5.766 10.442 -6.616 1.00 0.00 P ATOM 223 OP1 DC A 8 -6.943 9.918 -7.342 1.00 0.00 O ATOM 224 OP2 DC A 8 -4.821 11.346 -7.306 1.00 0.00 O ATOM 225 O5' DC A 8 -6.281 11.170 -5.274 1.00 0.00 O ATOM 226 C5' DC A 8 -7.397 10.668 -4.565 1.00 0.00 C ATOM 227 C4' DC A 8 -7.520 11.348 -3.201 1.00 0.00 C ATOM 228 O4' DC A 8 -6.364 11.094 -2.436 1.00 0.00 O ATOM 229 C3' DC A 8 -7.615 12.871 -3.255 1.00 0.00 C ATOM 230 O3' DC A 8 -8.926 13.312 -3.532 1.00 0.00 O ATOM 231 C2' DC A 8 -7.170 13.245 -1.845 1.00 0.00 C ATOM 232 C1' DC A 8 -6.300 12.060 -1.400 1.00 0.00 C ATOM 233 N1 DC A 8 -4.885 12.463 -1.183 1.00 0.00 N ATOM 234 C2 DC A 8 -4.445 12.689 0.116 1.00 0.00 C ATOM 235 O2 DC A 8 -5.229 12.668 1.060 1.00 0.00 O ATOM 236 N3 DC A 8 -3.124 12.936 0.343 1.00 0.00 N ATOM 237 C4 DC A 8 -2.272 13.019 -0.684 1.00 0.00 C ATOM 238 N4 DC A 8 -0.983 13.183 -0.411 1.00 0.00 N ATOM 239 C5 DC A 8 -2.702 12.841 -2.039 1.00 0.00 C ATOM 240 C6 DC A 8 -4.012 12.559 -2.233 1.00 0.00 C ATOM 0 H5' DC A 8 -7.296 9.591 -4.432 1.00 0.00 H new ATOM 0 H5'' DC A 8 -8.306 10.834 -5.143 1.00 0.00 H new ATOM 0 H4' DC A 8 -8.439 10.940 -2.780 1.00 0.00 H new ATOM 0 H3' DC A 8 -7.019 13.326 -4.046 1.00 0.00 H new ATOM 0 H2' DC A 8 -6.606 14.178 -1.839 1.00 0.00 H new ATOM 0 H2'' DC A 8 -8.023 13.384 -1.181 1.00 0.00 H new ATOM 0 HO3' DC A 8 -8.943 14.292 -3.556 1.00 0.00 H new ATOM 0 H1' DC A 8 -6.669 11.668 -0.452 1.00 0.00 H new ATOM 0 H41 DC A 8 -0.305 13.250 -1.170 1.00 0.00 H new ATOM 0 H42 DC A 8 -0.670 13.242 0.558 1.00 0.00 H new ATOM 0 H5 DC A 8 -2.014 12.928 -2.867 1.00 0.00 H new ATOM 0 H6 DC A 8 -4.376 12.406 -3.238 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 9 -1.875 12.271 12.242 1.00 0.00 O ATOM 255 C5' DG B 9 -1.505 12.700 10.943 1.00 0.00 C ATOM 256 C4' DG B 9 -2.175 11.823 9.883 1.00 0.00 C ATOM 257 O4' DG B 9 -1.812 12.203 8.574 1.00 0.00 O ATOM 258 C3' DG B 9 -1.748 10.348 10.021 1.00 0.00 C ATOM 259 O3' DG B 9 -2.851 9.478 9.864 1.00 0.00 O ATOM 260 C2' DG B 9 -0.810 10.146 8.833 1.00 0.00 C ATOM 261 C1' DG B 9 -1.546 11.025 7.836 1.00 0.00 C ATOM 262 N9 DG B 9 -0.851 11.407 6.593 1.00 0.00 N ATOM 263 C8 DG B 9 0.472 11.672 6.358 1.00 0.00 C ATOM 264 N7 DG B 9 0.716 12.131 5.160 1.00 0.00 N ATOM 265 C5 DG B 9 -0.541 12.190 4.557 1.00 0.00 C ATOM 266 C6 DG B 9 -0.947 12.616 3.253 1.00 0.00 C ATOM 267 O6 DG B 9 -0.260 13.089 2.351 1.00 0.00 O ATOM 268 N1 DG B 9 -2.307 12.449 3.032 1.00 0.00 N ATOM 269 C2 DG B 9 -3.192 11.990 3.978 1.00 0.00 C ATOM 270 N2 DG B 9 -4.469 11.848 3.648 1.00 0.00 N ATOM 271 N3 DG B 9 -2.835 11.637 5.214 1.00 0.00 N ATOM 272 C4 DG B 9 -1.500 11.751 5.434 1.00 0.00 C ATOM 0 H5' DG B 9 -0.422 12.653 10.832 1.00 0.00 H new ATOM 0 H5'' DG B 9 -1.795 13.741 10.800 1.00 0.00 H new ATOM 0 H4' DG B 9 -3.246 11.949 10.044 1.00 0.00 H new ATOM 0 H3' DG B 9 -1.307 10.140 10.996 1.00 0.00 H new ATOM 0 H2' DG B 9 0.207 10.485 9.031 1.00 0.00 H new ATOM 0 H2'' DG B 9 -0.743 9.105 8.515 1.00 0.00 H new ATOM 0 HO5' DG B 9 -2.571 11.584 12.174 1.00 0.00 H new ATOM 0 H1' DG B 9 -2.398 10.456 7.465 1.00 0.00 H new ATOM 0 H8 DG B 9 1.244 11.515 7.097 1.00 0.00 H new ATOM 0 H1 DG B 9 -2.673 12.682 2.109 1.00 0.00 H new ATOM 0 H21 DG B 9 -5.139 11.509 4.338 1.00 0.00 H new ATOM 0 H22 DG B 9 -4.781 12.078 2.704 1.00 0.00 H new ATOM 285 P DC B 10 -4.190 9.628 10.752 1.00 0.00 P ATOM 286 OP1 DC B 10 -5.243 10.232 9.909 1.00 0.00 O ATOM 287 OP2 DC B 10 -3.788 10.315 12.004 1.00 0.00 O ATOM 288 O5' DC B 10 -4.601 8.113 11.083 1.00 0.00 O ATOM 289 C5' DC B 10 -4.378 7.056 10.169 1.00 0.00 C ATOM 290 C4' DC B 10 -5.158 7.171 8.841 1.00 0.00 C ATOM 291 O4' DC B 10 -4.615 8.154 7.944 1.00 0.00 O ATOM 292 C3' DC B 10 -5.054 5.818 8.120 1.00 0.00 C ATOM 293 O3' DC B 10 -6.265 5.588 7.446 1.00 0.00 O ATOM 294 C2' DC B 10 -3.883 6.161 7.211 1.00 0.00 C ATOM 295 C1' DC B 10 -4.284 7.535 6.705 1.00 0.00 C ATOM 296 N1 DC B 10 -3.158 8.146 5.937 1.00 0.00 N ATOM 297 C2 DC B 10 -3.306 8.614 4.627 1.00 0.00 C ATOM 298 O2 DC B 10 -4.414 8.728 4.103 1.00 0.00 O ATOM 299 N3 DC B 10 -2.187 8.956 3.905 1.00 0.00 N ATOM 300 C4 DC B 10 -0.969 8.772 4.437 1.00 0.00 C ATOM 301 N4 DC B 10 0.105 9.205 3.788 1.00 0.00 N ATOM 302 C5 DC B 10 -0.794 8.248 5.750 1.00 0.00 C ATOM 303 C6 DC B 10 -1.912 7.968 6.436 1.00 0.00 C ATOM 0 H5' DC B 10 -4.646 6.116 10.651 1.00 0.00 H new ATOM 0 H5'' DC B 10 -3.312 7.007 9.945 1.00 0.00 H new ATOM 0 H4' DC B 10 -6.178 7.462 9.092 1.00 0.00 H new ATOM 0 H3' DC B 10 -4.900 4.911 8.705 1.00 0.00 H new ATOM 0 H2' DC B 10 -2.937 6.183 7.752 1.00 0.00 H new ATOM 0 H2'' DC B 10 -3.770 5.442 6.400 1.00 0.00 H new ATOM 0 H1' DC B 10 -5.102 7.599 5.987 1.00 0.00 H new ATOM 0 H41 DC B 10 1.033 9.067 4.189 1.00 0.00 H new ATOM 0 H42 DC B 10 0.002 9.675 2.889 1.00 0.00 H new ATOM 0 H5 DC B 10 0.187 8.085 6.171 1.00 0.00 H new ATOM 0 H6 DC B 10 -1.813 7.580 7.439 1.00 0.00 H new ATOM 315 P DG B 11 -6.824 4.112 7.177 1.00 0.00 P ATOM 316 OP1 DG B 11 -8.001 3.893 8.044 1.00 0.00 O ATOM 317 OP2 DG B 11 -5.689 3.164 7.207 1.00 0.00 O ATOM 318 O5' DG B 11 -7.308 4.280 5.665 1.00 0.00 O ATOM 319 C5' DG B 11 -8.279 5.238 5.306 1.00 0.00 C ATOM 320 C4' DG B 11 -8.451 5.229 3.785 1.00 0.00 C ATOM 321 O4' DG B 11 -7.354 5.913 3.207 1.00 0.00 O ATOM 322 C3' DG B 11 -8.468 3.802 3.224 1.00 0.00 C ATOM 323 O3' DG B 11 -9.440 3.714 2.200 1.00 0.00 O ATOM 324 C2' DG B 11 -7.030 3.618 2.746 1.00 0.00 C ATOM 325 C1' DG B 11 -6.584 5.038 2.405 1.00 0.00 C ATOM 326 N9 DG B 11 -5.154 5.266 2.694 1.00 0.00 N ATOM 327 C8 DG B 11 -4.498 5.077 3.883 1.00 0.00 C ATOM 328 N7 DG B 11 -3.263 5.480 3.882 1.00 0.00 N ATOM 329 C5 DG B 11 -3.067 5.930 2.582 1.00 0.00 C ATOM 330 C6 DG B 11 -1.883 6.402 1.951 1.00 0.00 C ATOM 331 O6 DG B 11 -0.788 6.612 2.461 1.00 0.00 O ATOM 332 N1 DG B 11 -2.049 6.633 0.599 1.00 0.00 N ATOM 333 C2 DG B 11 -3.234 6.472 -0.075 1.00 0.00 C ATOM 334 N2 DG B 11 -3.227 6.673 -1.387 1.00 0.00 N ATOM 335 N3 DG B 11 -4.360 6.039 0.507 1.00 0.00 N ATOM 336 C4 DG B 11 -4.208 5.778 1.835 1.00 0.00 C ATOM 0 H5' DG B 11 -7.974 6.228 5.644 1.00 0.00 H new ATOM 0 H5'' DG B 11 -9.228 5.013 5.793 1.00 0.00 H new ATOM 0 H4' DG B 11 -9.401 5.708 3.547 1.00 0.00 H new ATOM 0 H3' DG B 11 -8.747 3.018 3.928 1.00 0.00 H new ATOM 0 H2' DG B 11 -6.403 3.175 3.520 1.00 0.00 H new ATOM 0 H2'' DG B 11 -6.976 2.961 1.878 1.00 0.00 H new ATOM 0 H1' DG B 11 -6.727 5.208 1.338 1.00 0.00 H new ATOM 0 H8 DG B 11 -4.968 4.631 4.747 1.00 0.00 H new ATOM 0 H1 DG B 11 -1.237 6.944 0.066 1.00 0.00 H new ATOM 0 H21 DG B 11 -4.087 6.563 -1.924 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.362 6.937 -1.858 1.00 0.00 H new ATOM 348 P DT B 12 -9.871 2.301 1.548 1.00 0.00 P ATOM 349 OP1 DT B 12 -11.181 2.484 0.887 1.00 0.00 O ATOM 350 OP2 DT B 12 -9.706 1.248 2.574 1.00 0.00 O ATOM 351 O5' DT B 12 -8.758 2.094 0.409 1.00 0.00 O ATOM 352 C5' DT B 12 -8.744 2.926 -0.730 1.00 0.00 C ATOM 353 C4' DT B 12 -7.482 2.702 -1.561 1.00 0.00 C ATOM 354 O4' DT B 12 -6.310 3.018 -0.845 1.00 0.00 O ATOM 355 C3' DT B 12 -7.281 1.247 -2.021 1.00 0.00 C ATOM 356 O3' DT B 12 -7.853 0.976 -3.299 1.00 0.00 O ATOM 357 C2' DT B 12 -5.768 1.014 -1.887 1.00 0.00 C ATOM 358 C1' DT B 12 -5.244 2.411 -1.551 1.00 0.00 C ATOM 359 N1 DT B 12 -4.034 2.453 -0.707 1.00 0.00 N ATOM 360 C2 DT B 12 -2.991 3.342 -0.915 1.00 0.00 C ATOM 361 O2 DT B 12 -2.836 3.950 -1.968 1.00 0.00 O ATOM 362 N3 DT B 12 -2.119 3.513 0.141 1.00 0.00 N ATOM 363 C4 DT B 12 -2.172 2.882 1.359 1.00 0.00 C ATOM 364 O4 DT B 12 -1.524 3.319 2.307 1.00 0.00 O ATOM 365 C5 DT B 12 -3.043 1.631 1.511 1.00 0.00 C ATOM 366 C7 DT B 12 -3.980 1.641 2.714 1.00 0.00 C ATOM 367 C6 DT B 12 -3.916 1.393 0.298 1.00 0.00 C ATOM 0 H5' DT B 12 -8.799 3.970 -0.422 1.00 0.00 H new ATOM 0 H5'' DT B 12 -9.625 2.727 -1.340 1.00 0.00 H new ATOM 0 H4' DT B 12 -7.637 3.356 -2.419 1.00 0.00 H new ATOM 0 H3' DT B 12 -7.823 0.525 -1.411 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.537 0.295 -1.102 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.334 0.629 -2.810 1.00 0.00 H new ATOM 0 H1' DT B 12 -4.944 2.906 -2.475 1.00 0.00 H new ATOM 0 H3 DT B 12 -1.357 4.176 0.002 1.00 0.00 H new ATOM 0 H71 DT B 12 -4.872 1.059 2.485 1.00 0.00 H new ATOM 0 H72 DT B 12 -3.473 1.204 3.574 1.00 0.00 H new ATOM 0 H73 DT B 12 -4.266 2.667 2.944 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.443 0.458 0.175 1.00 0.00 H new ATOM 380 P DA B 13 -7.354 1.590 -4.726 1.00 0.00 P ATOM 381 OP1 DA B 13 -6.960 3.004 -4.559 1.00 0.00 O ATOM 382 OP2 DA B 13 -8.383 1.243 -5.730 1.00 0.00 O ATOM 383 O5' DA B 13 -6.031 0.753 -5.059 1.00 0.00 O ATOM 384 C5' DA B 13 -6.109 -0.630 -5.294 1.00 0.00 C ATOM 385 C4' DA B 13 -4.709 -1.182 -5.548 1.00 0.00 C ATOM 386 O4' DA B 13 -3.913 -1.183 -4.377 1.00 0.00 O ATOM 387 C3' DA B 13 -4.834 -2.635 -6.003 1.00 0.00 C ATOM 388 O3' DA B 13 -3.869 -2.956 -6.976 1.00 0.00 O ATOM 389 C2' DA B 13 -4.504 -3.335 -4.700 1.00 0.00 C ATOM 390 C1' DA B 13 -3.354 -2.469 -4.184 1.00 0.00 C ATOM 391 N9 DA B 13 -3.063 -2.698 -2.751 1.00 0.00 N ATOM 392 C8 DA B 13 -3.978 -2.627 -1.738 1.00 0.00 C ATOM 393 N7 DA B 13 -3.528 -3.046 -0.585 1.00 0.00 N ATOM 394 C5 DA B 13 -2.168 -3.249 -0.824 1.00 0.00 C ATOM 395 C6 DA B 13 -1.080 -3.536 0.028 1.00 0.00 C ATOM 396 N6 DA B 13 -1.214 -3.844 1.315 1.00 0.00 N ATOM 397 N1 DA B 13 0.167 -3.355 -0.424 1.00 0.00 N ATOM 398 C2 DA B 13 0.340 -3.032 -1.696 1.00 0.00 C ATOM 399 N3 DA B 13 -0.589 -2.830 -2.635 1.00 0.00 N ATOM 400 C4 DA B 13 -1.850 -2.937 -2.123 1.00 0.00 C ATOM 0 H5' DA B 13 -6.751 -0.828 -6.152 1.00 0.00 H new ATOM 0 H5'' DA B 13 -6.559 -1.131 -4.437 1.00 0.00 H new ATOM 0 H4' DA B 13 -4.238 -0.546 -6.298 1.00 0.00 H new ATOM 0 H3' DA B 13 -5.792 -2.889 -6.456 1.00 0.00 H new ATOM 0 H2' DA B 13 -5.350 -3.348 -4.013 1.00 0.00 H new ATOM 0 H2'' DA B 13 -4.203 -4.371 -4.854 1.00 0.00 H new ATOM 0 H1' DA B 13 -2.402 -2.657 -4.680 1.00 0.00 H new ATOM 0 H8 DA B 13 -4.983 -2.258 -1.878 1.00 0.00 H new ATOM 0 H61 DA B 13 -0.389 -4.042 1.881 1.00 0.00 H new ATOM 0 H62 DA B 13 -2.142 -3.882 1.736 1.00 0.00 H new ATOM 0 H2 DA B 13 1.365 -2.917 -2.016 1.00 0.00 H new ATOM 412 P DC B 14 -4.071 -2.571 -8.523 1.00 0.00 P ATOM 413 OP1 DC B 14 -4.281 -1.110 -8.619 1.00 0.00 O ATOM 414 OP2 DC B 14 -5.085 -3.490 -9.083 1.00 0.00 O ATOM 415 O5' DC B 14 -2.638 -2.933 -9.149 1.00 0.00 O ATOM 416 C5' DC B 14 -2.184 -4.268 -9.202 1.00 0.00 C ATOM 417 C4' DC B 14 -1.026 -4.510 -8.225 1.00 0.00 C ATOM 418 O4' DC B 14 -1.409 -4.448 -6.844 1.00 0.00 O ATOM 419 C3' DC B 14 -0.496 -5.929 -8.474 1.00 0.00 C ATOM 420 O3' DC B 14 0.918 -5.898 -8.584 1.00 0.00 O ATOM 421 C2' DC B 14 -0.944 -6.601 -7.186 1.00 0.00 C ATOM 422 C1' DC B 14 -0.700 -5.489 -6.183 1.00 0.00 C ATOM 423 N1 DC B 14 -1.150 -5.853 -4.806 1.00 0.00 N ATOM 424 C2 DC B 14 -0.184 -6.055 -3.821 1.00 0.00 C ATOM 425 O2 DC B 14 1.017 -6.018 -4.079 1.00 0.00 O ATOM 426 N3 DC B 14 -0.574 -6.303 -2.543 1.00 0.00 N ATOM 427 C4 DC B 14 -1.863 -6.477 -2.250 1.00 0.00 C ATOM 428 N4 DC B 14 -2.191 -6.687 -0.983 1.00 0.00 N ATOM 429 C5 DC B 14 -2.873 -6.403 -3.259 1.00 0.00 C ATOM 430 C6 DC B 14 -2.463 -6.105 -4.514 1.00 0.00 C ATOM 0 H5' DC B 14 -1.860 -4.503 -10.216 1.00 0.00 H new ATOM 0 H5'' DC B 14 -3.007 -4.942 -8.966 1.00 0.00 H new ATOM 0 H4' DC B 14 -0.291 -3.725 -8.403 1.00 0.00 H new ATOM 0 H3' DC B 14 -0.844 -6.421 -9.383 1.00 0.00 H new ATOM 0 H2' DC B 14 -1.991 -6.904 -7.221 1.00 0.00 H new ATOM 0 H2'' DC B 14 -0.361 -7.494 -6.962 1.00 0.00 H new ATOM 0 H1' DC B 14 0.335 -5.225 -5.963 1.00 0.00 H new ATOM 0 H41 DC B 14 -3.168 -6.824 -0.725 1.00 0.00 H new ATOM 0 H42 DC B 14 -1.466 -6.712 -0.266 1.00 0.00 H new ATOM 0 H5 DC B 14 -3.914 -6.577 -3.031 1.00 0.00 H new ATOM 0 H6 DC B 14 -3.194 -6.065 -5.308 1.00 0.00 H new ATOM 442 P DG B 15 1.746 -6.870 -9.580 1.00 0.00 P ATOM 443 OP1 DG B 15 3.131 -6.357 -9.646 1.00 0.00 O ATOM 444 OP2 DG B 15 0.964 -7.010 -10.826 1.00 0.00 O ATOM 445 O5' DG B 15 1.785 -8.311 -8.849 1.00 0.00 O ATOM 446 C5' DG B 15 2.333 -8.465 -7.555 1.00 0.00 C ATOM 447 C4' DG B 15 2.823 -9.899 -7.298 1.00 0.00 C ATOM 448 O4' DG B 15 2.794 -10.096 -5.901 1.00 0.00 O ATOM 449 C3' DG B 15 2.012 -11.062 -7.893 1.00 0.00 C ATOM 450 O3' DG B 15 2.807 -12.234 -7.733 1.00 0.00 O ATOM 451 C2' DG B 15 0.851 -10.933 -6.922 1.00 0.00 C ATOM 452 C1' DG B 15 1.634 -10.842 -5.607 1.00 0.00 C ATOM 453 N9 DG B 15 0.882 -10.236 -4.503 1.00 0.00 N ATOM 454 C8 DG B 15 -0.321 -9.616 -4.554 1.00 0.00 C ATOM 455 N7 DG B 15 -0.787 -9.228 -3.401 1.00 0.00 N ATOM 456 C5 DG B 15 0.217 -9.605 -2.505 1.00 0.00 C ATOM 457 C6 DG B 15 0.314 -9.480 -1.083 1.00 0.00 C ATOM 458 O6 DG B 15 -0.505 -9.020 -0.287 1.00 0.00 O ATOM 459 N1 DG B 15 1.520 -9.963 -0.601 1.00 0.00 N ATOM 460 C2 DG B 15 2.470 -10.603 -1.361 1.00 0.00 C ATOM 461 N2 DG B 15 3.546 -11.113 -0.780 1.00 0.00 N ATOM 462 N3 DG B 15 2.354 -10.796 -2.672 1.00 0.00 N ATOM 463 C4 DG B 15 1.231 -10.239 -3.182 1.00 0.00 C ATOM 0 H5' DG B 15 1.582 -8.201 -6.811 1.00 0.00 H new ATOM 0 H5'' DG B 15 3.164 -7.771 -7.429 1.00 0.00 H new ATOM 0 H4' DG B 15 3.796 -9.941 -7.787 1.00 0.00 H new ATOM 0 H3' DG B 15 1.716 -11.079 -8.942 1.00 0.00 H new ATOM 0 H2' DG B 15 0.243 -10.048 -7.110 1.00 0.00 H new ATOM 0 H2'' DG B 15 0.181 -11.792 -6.953 1.00 0.00 H new ATOM 0 H1' DG B 15 1.862 -11.846 -5.250 1.00 0.00 H new ATOM 0 H8 DG B 15 -0.853 -9.455 -5.480 1.00 0.00 H new ATOM 0 H1 DG B 15 1.718 -9.834 0.391 1.00 0.00 H new ATOM 0 H21 DG B 15 4.252 -11.588 -1.342 1.00 0.00 H new ATOM 0 H22 DG B 15 3.668 -11.030 0.229 1.00 0.00 H new ATOM 475 P DC B 16 2.759 -13.531 -8.709 1.00 0.00 P ATOM 476 OP1 DC B 16 4.066 -14.212 -8.591 1.00 0.00 O ATOM 477 OP2 DC B 16 2.294 -13.081 -10.039 1.00 0.00 O ATOM 478 O5' DC B 16 1.641 -14.526 -8.092 1.00 0.00 O ATOM 479 C5' DC B 16 1.338 -14.528 -6.713 1.00 0.00 C ATOM 480 C4' DC B 16 2.391 -15.120 -5.781 1.00 0.00 C ATOM 481 O4' DC B 16 2.668 -14.102 -4.847 1.00 0.00 O ATOM 482 C3' DC B 16 1.890 -16.343 -4.991 1.00 0.00 C ATOM 483 O3' DC B 16 2.376 -17.551 -5.535 1.00 0.00 O ATOM 484 C2' DC B 16 2.449 -16.092 -3.602 1.00 0.00 C ATOM 485 C1' DC B 16 2.479 -14.567 -3.529 1.00 0.00 C ATOM 486 N1 DC B 16 1.300 -13.959 -2.836 1.00 0.00 N ATOM 487 C2 DC B 16 1.388 -13.739 -1.460 1.00 0.00 C ATOM 488 O2 DC B 16 2.358 -14.127 -0.812 1.00 0.00 O ATOM 489 N3 DC B 16 0.380 -13.079 -0.819 1.00 0.00 N ATOM 490 C4 DC B 16 -0.681 -12.637 -1.500 1.00 0.00 C ATOM 491 N4 DC B 16 -1.618 -11.964 -0.845 1.00 0.00 N ATOM 492 C5 DC B 16 -0.779 -12.796 -2.917 1.00 0.00 C ATOM 493 C6 DC B 16 0.222 -13.465 -3.524 1.00 0.00 C ATOM 0 H5' DC B 16 0.408 -15.079 -6.570 1.00 0.00 H new ATOM 0 H5'' DC B 16 1.150 -13.500 -6.404 1.00 0.00 H new ATOM 0 H4' DC B 16 3.246 -15.450 -6.371 1.00 0.00 H new ATOM 0 H3' DC B 16 0.806 -16.451 -5.008 1.00 0.00 H new ATOM 0 H2' DC B 16 1.817 -16.523 -2.826 1.00 0.00 H new ATOM 0 H2'' DC B 16 3.442 -16.524 -3.480 1.00 0.00 H new ATOM 0 HO3' DC B 16 2.040 -18.306 -5.008 1.00 0.00 H new ATOM 0 H1' DC B 16 3.304 -14.245 -2.893 1.00 0.00 H new ATOM 0 H41 DC B 16 -2.438 -11.616 -1.342 1.00 0.00 H new ATOM 0 H42 DC B 16 -1.519 -11.795 0.156 1.00 0.00 H new ATOM 0 H5 DC B 16 -1.615 -12.399 -3.475 1.00 0.00 H new ATOM 0 H6 DC B 16 0.173 -13.617 -4.592 1.00 0.00 H new TER 506 DC B 16 HETATM 507 O1 PSO B 1 -1.004 0.405 -1.380 1.00 0.00 O HETATM 508 C2 PSO B 1 -2.258 0.328 -1.387 1.00 0.00 C HETATM 509 C3 PSO B 1 -3.110 0.186 -0.135 1.00 0.00 C HETATM 510 C4 PSO B 1 -2.366 0.294 1.149 1.00 0.00 C HETATM 511 C5 PSO B 1 -0.232 0.625 2.145 1.00 0.00 C HETATM 512 C6 PSO B 1 1.143 0.868 2.039 1.00 0.00 C HETATM 513 C7 PSO B 1 1.740 0.887 0.829 1.00 0.00 C HETATM 514 C8 PSO B 1 1.004 0.568 -0.325 1.00 0.00 C HETATM 515 C9 PSO B 1 -0.399 0.477 -0.264 1.00 0.00 C HETATM 516 C10 PSO B 1 -0.995 0.444 0.988 1.00 0.00 C HETATM 517 C4' PSO B 1 2.175 0.640 3.093 1.00 0.00 C HETATM 518 C5' PSO B 1 3.394 0.960 2.251 1.00 0.00 C HETATM 519 O6' PSO B 1 2.981 1.043 0.873 1.00 0.00 O HETATM 520 O11 PSO B 1 -2.818 0.373 -2.473 1.00 0.00 O HETATM 521 C12 PSO B 1 -2.732 -0.816 2.145 1.00 0.00 C HETATM 522 C13 PSO B 1 1.974 1.435 4.391 1.00 0.00 C HETATM 523 O14 PSO B 1 1.531 2.763 4.217 1.00 0.00 O HETATM 524 C15 PSO B 1 4.052 2.201 2.860 1.00 0.00 C HETATM 525 C16 PSO B 1 1.692 0.308 -1.648 1.00 0.00 C HETATM 0 H163 PSO B 1 2.254 1.193 -1.946 1.00 0.00 H new HETATM 0 H162 PSO B 1 2.373 -0.536 -1.544 1.00 0.00 H new HETATM 0 H161 PSO B 1 0.945 0.080 -2.408 1.00 0.00 H new HETATM 0 H153 PSO B 1 3.347 3.032 2.844 1.00 0.00 H new HETATM 0 H152 PSO B 1 4.342 1.991 3.890 1.00 0.00 H new HETATM 0 H151 PSO B 1 4.937 2.465 2.281 1.00 0.00 H new HETATM 0 H132 PSO B 1 1.253 0.907 5.014 1.00 0.00 H new HETATM 0 H131 PSO B 1 2.917 1.452 4.938 1.00 0.00 H new HETATM 0 H123 PSO B 1 -3.797 -0.764 2.372 1.00 0.00 H new HETATM 0 H122 PSO B 1 -2.501 -1.788 1.708 1.00 0.00 H new HETATM 0 H121 PSO B 1 -2.158 -0.685 3.062 1.00 0.00 H new HETATM 0 H5 PSO B 1 -0.705 0.577 3.126 1.00 0.00 H new HETATM 0 H14 PSO B 1 1.429 3.191 5.093 1.00 0.00 H new