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 30:sc= 0.0721 USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.64! (180deg=-1.64!) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 PSO O14 : rot 180:sc= -0.359 USER MOD Single : B 9 DG O5' : rot -26:sc= 0.0189 USER MOD Single : B 12 DT C7 :methyl 150:sc= -1.54 (180deg=-1.54) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -2.849 -9.335 8.585 1.00 0.00 O ATOM 2 C5' DG A 1 -1.872 -9.520 9.583 1.00 0.00 C ATOM 3 C4' DG A 1 -0.469 -9.370 8.984 1.00 0.00 C ATOM 4 O4' DG A 1 -0.352 -10.212 7.844 1.00 0.00 O ATOM 5 C3' DG A 1 -0.167 -7.932 8.541 1.00 0.00 C ATOM 6 O3' DG A 1 1.159 -7.640 8.943 1.00 0.00 O ATOM 7 C2' DG A 1 -0.354 -8.027 7.029 1.00 0.00 C ATOM 8 C1' DG A 1 0.096 -9.455 6.731 1.00 0.00 C ATOM 9 N9 DG A 1 -0.508 -9.999 5.491 1.00 0.00 N ATOM 10 C8 DG A 1 -1.838 -10.042 5.154 1.00 0.00 C ATOM 11 N7 DG A 1 -2.093 -10.657 4.037 1.00 0.00 N ATOM 12 C5 DG A 1 -0.840 -11.065 3.594 1.00 0.00 C ATOM 13 C6 DG A 1 -0.476 -11.795 2.425 1.00 0.00 C ATOM 14 O6 DG A 1 -1.217 -12.274 1.572 1.00 0.00 O ATOM 15 N1 DG A 1 0.893 -11.950 2.289 1.00 0.00 N ATOM 16 C2 DG A 1 1.810 -11.525 3.218 1.00 0.00 C ATOM 17 N2 DG A 1 3.095 -11.761 2.976 1.00 0.00 N ATOM 18 N3 DG A 1 1.482 -10.866 4.338 1.00 0.00 N ATOM 19 C4 DG A 1 0.141 -10.660 4.468 1.00 0.00 C ATOM 0 H5' DG A 1 -1.981 -10.508 10.030 1.00 0.00 H new ATOM 0 H5'' DG A 1 -2.014 -8.792 10.381 1.00 0.00 H new ATOM 0 H4' DG A 1 0.241 -9.646 9.764 1.00 0.00 H new ATOM 0 H3' DG A 1 -0.785 -7.138 8.960 1.00 0.00 H new ATOM 0 H2' DG A 1 -1.390 -7.859 6.737 1.00 0.00 H new ATOM 0 H2'' DG A 1 0.250 -7.292 6.498 1.00 0.00 H new ATOM 0 HO5' DG A 1 -2.490 -9.621 7.719 1.00 0.00 H new ATOM 0 H1' DG A 1 1.175 -9.492 6.579 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.610 -9.601 5.767 1.00 0.00 H new ATOM 0 H1 DG A 1 1.242 -12.408 1.447 1.00 0.00 H new ATOM 0 H21 DG A 1 3.804 -11.459 3.645 1.00 0.00 H new ATOM 0 H22 DG A 1 3.373 -12.244 2.122 1.00 0.00 H new ATOM 32 P DC A 2 1.918 -6.264 8.585 1.00 0.00 P ATOM 33 OP1 DC A 2 2.720 -5.862 9.760 1.00 0.00 O ATOM 34 OP2 DC A 2 0.945 -5.319 7.996 1.00 0.00 O ATOM 35 O5' DC A 2 2.925 -6.764 7.433 1.00 0.00 O ATOM 36 C5' DC A 2 3.872 -7.774 7.716 1.00 0.00 C ATOM 37 C4' DC A 2 4.735 -8.094 6.495 1.00 0.00 C ATOM 38 O4' DC A 2 3.952 -8.606 5.440 1.00 0.00 O ATOM 39 C3' DC A 2 5.470 -6.870 5.947 1.00 0.00 C ATOM 40 O3' DC A 2 6.788 -7.336 5.727 1.00 0.00 O ATOM 41 C2' DC A 2 4.688 -6.501 4.678 1.00 0.00 C ATOM 42 C1' DC A 2 4.209 -7.879 4.251 1.00 0.00 C ATOM 43 N1 DC A 2 2.937 -7.859 3.491 1.00 0.00 N ATOM 44 C2 DC A 2 2.862 -8.563 2.300 1.00 0.00 C ATOM 45 O2 DC A 2 3.876 -9.033 1.793 1.00 0.00 O ATOM 46 N3 DC A 2 1.655 -8.738 1.689 1.00 0.00 N ATOM 47 C4 DC A 2 0.551 -8.220 2.241 1.00 0.00 C ATOM 48 N4 DC A 2 -0.621 -8.550 1.706 1.00 0.00 N ATOM 49 C5 DC A 2 0.592 -7.500 3.478 1.00 0.00 C ATOM 50 C6 DC A 2 1.803 -7.352 4.063 1.00 0.00 C ATOM 0 H5' DC A 2 3.356 -8.676 8.044 1.00 0.00 H new ATOM 0 H5'' DC A 2 4.510 -7.455 8.540 1.00 0.00 H new ATOM 0 H4' DC A 2 5.461 -8.828 6.845 1.00 0.00 H new ATOM 0 H3' DC A 2 5.529 -5.979 6.572 1.00 0.00 H new ATOM 0 H2' DC A 2 3.863 -5.818 4.881 1.00 0.00 H new ATOM 0 H2'' DC A 2 5.317 -6.027 3.925 1.00 0.00 H new ATOM 0 H1' DC A 2 4.976 -8.310 3.608 1.00 0.00 H new ATOM 0 H41 DC A 2 -1.485 -8.175 2.099 1.00 0.00 H new ATOM 0 H42 DC A 2 -0.656 -9.178 0.903 1.00 0.00 H new ATOM 0 H5 DC A 2 -0.304 -7.093 3.924 1.00 0.00 H new ATOM 0 H6 DC A 2 1.876 -6.822 5.001 1.00 0.00 H new ATOM 62 P DG A 3 8.019 -6.358 5.449 1.00 0.00 P ATOM 63 OP1 DG A 3 9.263 -7.155 5.470 1.00 0.00 O ATOM 64 OP2 DG A 3 7.880 -5.176 6.327 1.00 0.00 O ATOM 65 O5' DG A 3 7.709 -5.923 3.944 1.00 0.00 O ATOM 66 C5' DG A 3 7.858 -6.808 2.852 1.00 0.00 C ATOM 67 C4' DG A 3 7.592 -6.047 1.547 1.00 0.00 C ATOM 68 O4' DG A 3 6.303 -6.174 1.000 1.00 0.00 O ATOM 69 C3' DG A 3 7.824 -4.551 1.671 1.00 0.00 C ATOM 70 O3' DG A 3 8.511 -4.177 0.507 1.00 0.00 O ATOM 71 C2' DG A 3 6.401 -4.067 1.832 1.00 0.00 C ATOM 72 C1' DG A 3 5.804 -4.880 0.706 1.00 0.00 C ATOM 73 N9 DG A 3 4.373 -5.054 0.686 1.00 0.00 N ATOM 74 C8 DG A 3 3.569 -4.918 1.744 1.00 0.00 C ATOM 75 N7 DG A 3 2.358 -5.365 1.583 1.00 0.00 N ATOM 76 C5 DG A 3 2.374 -5.777 0.248 1.00 0.00 C ATOM 77 C6 DG A 3 1.333 -6.268 -0.581 1.00 0.00 C ATOM 78 O6 DG A 3 0.218 -6.647 -0.245 1.00 0.00 O ATOM 79 N1 DG A 3 1.687 -6.295 -1.919 1.00 0.00 N ATOM 80 C2 DG A 3 2.950 -6.048 -2.399 1.00 0.00 C ATOM 81 N2 DG A 3 3.158 -6.119 -3.709 1.00 0.00 N ATOM 82 N3 DG A 3 3.976 -5.719 -1.614 1.00 0.00 N ATOM 83 C4 DG A 3 3.603 -5.556 -0.319 1.00 0.00 C ATOM 0 H5' DG A 3 7.164 -7.643 2.948 1.00 0.00 H new ATOM 0 H5'' DG A 3 8.864 -7.228 2.844 1.00 0.00 H new ATOM 0 H4' DG A 3 8.311 -6.532 0.886 1.00 0.00 H new ATOM 0 H3' DG A 3 8.432 -4.150 2.482 1.00 0.00 H new ATOM 0 H2' DG A 3 5.974 -4.304 2.807 1.00 0.00 H new ATOM 0 H2'' DG A 3 6.294 -2.992 1.690 1.00 0.00 H new ATOM 0 H1' DG A 3 6.050 -4.384 -0.233 1.00 0.00 H new ATOM 0 H8 DG A 3 3.901 -4.469 2.668 1.00 0.00 H new ATOM 0 H1 DG A 3 0.957 -6.514 -2.597 1.00 0.00 H new ATOM 0 H21 DG A 3 4.088 -5.940 -4.088 1.00 0.00 H new ATOM 0 H22 DG A 3 2.388 -6.353 -4.336 1.00 0.00 H new ATOM 95 P DT A 4 10.078 -3.868 0.579 1.00 0.00 P ATOM 96 OP1 DT A 4 10.577 -3.668 -0.798 1.00 0.00 O ATOM 97 OP2 DT A 4 10.698 -4.884 1.458 1.00 0.00 O ATOM 98 O5' DT A 4 10.040 -2.446 1.340 1.00 0.00 O ATOM 99 C5' DT A 4 8.891 -1.604 1.350 1.00 0.00 C ATOM 100 C4' DT A 4 8.216 -1.471 -0.034 1.00 0.00 C ATOM 101 O4' DT A 4 6.984 -2.190 -0.293 1.00 0.00 O ATOM 102 C3' DT A 4 7.852 -0.029 -0.262 1.00 0.00 C ATOM 103 O3' DT A 4 8.124 0.124 -1.633 1.00 0.00 O ATOM 104 C2' DT A 4 6.430 -0.153 0.111 1.00 0.00 C ATOM 105 C1' DT A 4 5.821 -1.355 -0.442 1.00 0.00 C ATOM 106 N1 DT A 4 4.591 -1.707 0.373 1.00 0.00 N ATOM 107 C2 DT A 4 3.531 -2.316 -0.288 1.00 0.00 C ATOM 108 O2 DT A 4 3.617 -2.657 -1.461 1.00 0.00 O ATOM 109 N3 DT A 4 2.362 -2.539 0.410 1.00 0.00 N ATOM 110 C4 DT A 4 2.075 -2.195 1.710 1.00 0.00 C ATOM 111 O4 DT A 4 1.049 -2.613 2.240 1.00 0.00 O ATOM 112 C5 DT A 4 3.049 -1.291 2.475 1.00 0.00 C ATOM 113 C7 DT A 4 3.352 -1.783 3.898 1.00 0.00 C ATOM 114 C6 DT A 4 4.326 -0.982 1.679 1.00 0.00 C ATOM 0 H5' DT A 4 9.179 -0.613 1.703 1.00 0.00 H new ATOM 0 H5'' DT A 4 8.167 -1.998 2.063 1.00 0.00 H new ATOM 0 H4' DT A 4 8.973 -1.906 -0.687 1.00 0.00 H new ATOM 0 H3' DT A 4 8.326 0.808 0.250 1.00 0.00 H new ATOM 0 H2' DT A 4 6.341 -0.169 1.197 1.00 0.00 H new ATOM 0 H2'' DT A 4 5.886 0.723 -0.241 1.00 0.00 H new ATOM 0 H1' DT A 4 5.410 -1.368 -1.452 1.00 0.00 H new ATOM 0 H3 DT A 4 1.620 -3.018 -0.101 1.00 0.00 H new ATOM 0 H71 DT A 4 4.359 -1.478 4.182 1.00 0.00 H new ATOM 0 H72 DT A 4 2.633 -1.350 4.593 1.00 0.00 H new ATOM 0 H73 DT A 4 3.279 -2.870 3.930 1.00 0.00 H new ATOM 0 H6 DT A 4 5.032 -0.252 2.047 1.00 0.00 H new ATOM 127 P DA A 5 9.568 0.620 -2.144 1.00 0.00 P ATOM 128 OP1 DA A 5 9.828 0.015 -3.466 1.00 0.00 O ATOM 129 OP2 DA A 5 10.528 0.448 -1.032 1.00 0.00 O ATOM 130 O5' DA A 5 9.232 2.175 -2.326 1.00 0.00 O ATOM 131 C5' DA A 5 7.959 2.660 -1.956 1.00 0.00 C ATOM 132 C4' DA A 5 6.842 2.140 -2.910 1.00 0.00 C ATOM 133 O4' DA A 5 5.626 1.774 -2.254 1.00 0.00 O ATOM 134 C3' DA A 5 6.562 3.228 -3.912 1.00 0.00 C ATOM 135 O3' DA A 5 6.371 2.901 -5.283 1.00 0.00 O ATOM 136 C2' DA A 5 5.399 3.795 -3.191 1.00 0.00 C ATOM 137 C1' DA A 5 4.628 2.758 -2.455 1.00 0.00 C ATOM 138 N9 DA A 5 4.112 3.283 -1.161 1.00 0.00 N ATOM 139 C8 DA A 5 4.799 3.958 -0.188 1.00 0.00 C ATOM 140 N7 DA A 5 4.102 4.372 0.825 1.00 0.00 N ATOM 141 C5 DA A 5 2.825 3.971 0.469 1.00 0.00 C ATOM 142 C6 DA A 5 1.574 4.166 1.065 1.00 0.00 C ATOM 143 N6 DA A 5 1.436 4.659 2.290 1.00 0.00 N ATOM 144 N1 DA A 5 0.487 3.933 0.328 1.00 0.00 N ATOM 145 C2 DA A 5 0.646 3.420 -0.883 1.00 0.00 C ATOM 146 N3 DA A 5 1.744 3.107 -1.534 1.00 0.00 N ATOM 147 C4 DA A 5 2.814 3.413 -0.783 1.00 0.00 C ATOM 0 H5' DA A 5 7.968 3.750 -1.967 1.00 0.00 H new ATOM 0 H5'' DA A 5 7.736 2.353 -0.934 1.00 0.00 H new ATOM 0 H4' DA A 5 7.208 1.224 -3.374 1.00 0.00 H new ATOM 0 H3' DA A 5 7.406 3.883 -4.129 1.00 0.00 H new ATOM 0 H2' DA A 5 5.745 4.553 -2.489 1.00 0.00 H new ATOM 0 H2'' DA A 5 4.742 4.295 -3.903 1.00 0.00 H new ATOM 0 H1' DA A 5 3.741 2.399 -2.977 1.00 0.00 H new ATOM 0 H8 DA A 5 5.862 4.136 -0.260 1.00 0.00 H new ATOM 0 H61 DA A 5 0.505 4.785 2.687 1.00 0.00 H new ATOM 0 H62 DA A 5 2.261 4.911 2.834 1.00 0.00 H new ATOM 0 H2 DA A 5 -0.271 3.229 -1.420 1.00 0.00 H new ATOM 159 P DC A 6 5.149 2.009 -5.867 1.00 0.00 P ATOM 160 OP1 DC A 6 5.075 0.764 -5.073 1.00 0.00 O ATOM 161 OP2 DC A 6 5.326 1.927 -7.333 1.00 0.00 O ATOM 162 O5' DC A 6 3.818 2.876 -5.574 1.00 0.00 O ATOM 163 C5' DC A 6 3.618 4.168 -6.118 1.00 0.00 C ATOM 164 C4' DC A 6 2.309 4.741 -5.557 1.00 0.00 C ATOM 165 O4' DC A 6 2.287 4.728 -4.133 1.00 0.00 O ATOM 166 C3' DC A 6 2.069 6.209 -5.966 1.00 0.00 C ATOM 167 O3' DC A 6 0.828 6.285 -6.653 1.00 0.00 O ATOM 168 C2' DC A 6 2.031 6.901 -4.602 1.00 0.00 C ATOM 169 C1' DC A 6 1.447 5.800 -3.748 1.00 0.00 C ATOM 170 N1 DC A 6 1.535 6.216 -2.331 1.00 0.00 N ATOM 171 C2 DC A 6 0.367 6.611 -1.671 1.00 0.00 C ATOM 172 O2 DC A 6 -0.738 6.547 -2.206 1.00 0.00 O ATOM 173 N3 DC A 6 0.447 7.081 -0.399 1.00 0.00 N ATOM 174 C4 DC A 6 1.638 7.236 0.181 1.00 0.00 C ATOM 175 N4 DC A 6 1.675 7.590 1.456 1.00 0.00 N ATOM 176 C5 DC A 6 2.845 6.850 -0.476 1.00 0.00 C ATOM 177 C6 DC A 6 2.754 6.337 -1.717 1.00 0.00 C ATOM 0 H5' DC A 6 3.573 4.117 -7.206 1.00 0.00 H new ATOM 0 H5'' DC A 6 4.455 4.819 -5.864 1.00 0.00 H new ATOM 0 H4' DC A 6 1.536 4.096 -5.975 1.00 0.00 H new ATOM 0 H3' DC A 6 2.807 6.652 -6.635 1.00 0.00 H new ATOM 0 H2' DC A 6 3.022 7.206 -4.264 1.00 0.00 H new ATOM 0 H2'' DC A 6 1.408 7.795 -4.608 1.00 0.00 H new ATOM 0 H1' DC A 6 0.394 5.544 -3.870 1.00 0.00 H new ATOM 0 H41 DC A 6 2.572 7.716 1.925 1.00 0.00 H new ATOM 0 H42 DC A 6 0.806 7.737 1.970 1.00 0.00 H new ATOM 0 H5 DC A 6 3.803 6.966 0.009 1.00 0.00 H new ATOM 0 H6 DC A 6 3.648 6.019 -2.232 1.00 0.00 H new ATOM 189 P DG A 7 0.159 7.683 -7.116 1.00 0.00 P ATOM 190 OP1 DG A 7 -0.478 7.463 -8.432 1.00 0.00 O ATOM 191 OP2 DG A 7 1.171 8.751 -6.968 1.00 0.00 O ATOM 192 O5' DG A 7 -1.011 7.931 -6.022 1.00 0.00 O ATOM 193 C5' DG A 7 -2.189 7.145 -6.031 1.00 0.00 C ATOM 194 C4' DG A 7 -3.346 7.667 -5.159 1.00 0.00 C ATOM 195 O4' DG A 7 -2.934 7.874 -3.818 1.00 0.00 O ATOM 196 C3' DG A 7 -3.943 9.004 -5.615 1.00 0.00 C ATOM 197 O3' DG A 7 -5.277 8.999 -5.107 1.00 0.00 O ATOM 198 C2' DG A 7 -3.008 9.948 -4.861 1.00 0.00 C ATOM 199 C1' DG A 7 -3.053 9.253 -3.500 1.00 0.00 C ATOM 200 N9 DG A 7 -1.974 9.613 -2.566 1.00 0.00 N ATOM 201 C8 DG A 7 -0.639 9.726 -2.838 1.00 0.00 C ATOM 202 N7 DG A 7 0.099 9.946 -1.785 1.00 0.00 N ATOM 203 C5 DG A 7 -0.810 9.908 -0.724 1.00 0.00 C ATOM 204 C6 DG A 7 -0.608 9.981 0.690 1.00 0.00 C ATOM 205 O6 DG A 7 0.412 10.281 1.303 1.00 0.00 O ATOM 206 N1 DG A 7 -1.745 9.659 1.419 1.00 0.00 N ATOM 207 C2 DG A 7 -2.981 9.473 0.864 1.00 0.00 C ATOM 208 N2 DG A 7 -3.993 9.200 1.683 1.00 0.00 N ATOM 209 N3 DG A 7 -3.210 9.507 -0.453 1.00 0.00 N ATOM 210 C4 DG A 7 -2.077 9.672 -1.193 1.00 0.00 C ATOM 0 H5' DG A 7 -1.935 6.138 -5.700 1.00 0.00 H new ATOM 0 H5'' DG A 7 -2.541 7.063 -7.059 1.00 0.00 H new ATOM 0 H4' DG A 7 -4.099 6.884 -5.254 1.00 0.00 H new ATOM 0 H3' DG A 7 -4.005 9.242 -6.677 1.00 0.00 H new ATOM 0 H2' DG A 7 -2.005 9.983 -5.287 1.00 0.00 H new ATOM 0 H2'' DG A 7 -3.376 10.973 -4.827 1.00 0.00 H new ATOM 0 H1' DG A 7 -3.966 9.546 -2.982 1.00 0.00 H new ATOM 0 H8 DG A 7 -0.232 9.641 -3.835 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.653 9.555 2.429 1.00 0.00 H new ATOM 0 H21 DG A 7 -4.930 9.055 1.306 1.00 0.00 H new ATOM 0 H22 DG A 7 -3.832 9.136 2.688 1.00 0.00 H new ATOM 222 P DC A 8 -6.583 9.582 -5.872 1.00 0.00 P ATOM 223 OP1 DC A 8 -7.770 8.979 -5.230 1.00 0.00 O ATOM 224 OP2 DC A 8 -6.373 9.403 -7.324 1.00 0.00 O ATOM 225 O5' DC A 8 -6.624 11.168 -5.554 1.00 0.00 O ATOM 226 C5' DC A 8 -6.115 11.698 -4.347 1.00 0.00 C ATOM 227 C4' DC A 8 -6.973 11.557 -3.088 1.00 0.00 C ATOM 228 O4' DC A 8 -6.169 10.884 -2.133 1.00 0.00 O ATOM 229 C3' DC A 8 -7.357 12.912 -2.470 1.00 0.00 C ATOM 230 O3' DC A 8 -8.676 13.297 -2.795 1.00 0.00 O ATOM 231 C2' DC A 8 -7.215 12.644 -0.983 1.00 0.00 C ATOM 232 C1' DC A 8 -6.077 11.628 -0.930 1.00 0.00 C ATOM 233 N1 DC A 8 -4.730 12.248 -0.708 1.00 0.00 N ATOM 234 C2 DC A 8 -4.310 12.433 0.609 1.00 0.00 C ATOM 235 O2 DC A 8 -5.093 12.287 1.544 1.00 0.00 O ATOM 236 N3 DC A 8 -3.014 12.779 0.867 1.00 0.00 N ATOM 237 C4 DC A 8 -2.158 12.979 -0.141 1.00 0.00 C ATOM 238 N4 DC A 8 -0.890 13.244 0.139 1.00 0.00 N ATOM 239 C5 DC A 8 -2.557 12.829 -1.503 1.00 0.00 C ATOM 240 C6 DC A 8 -3.838 12.465 -1.727 1.00 0.00 C ATOM 0 H5' DC A 8 -5.921 12.759 -4.503 1.00 0.00 H new ATOM 0 H5'' DC A 8 -5.153 11.223 -4.152 1.00 0.00 H new ATOM 0 H4' DC A 8 -7.893 11.035 -3.352 1.00 0.00 H new ATOM 0 H3' DC A 8 -6.739 13.733 -2.834 1.00 0.00 H new ATOM 0 H2' DC A 8 -6.973 13.551 -0.430 1.00 0.00 H new ATOM 0 H2'' DC A 8 -8.134 12.245 -0.554 1.00 0.00 H new ATOM 0 HO3' DC A 8 -8.876 14.162 -2.380 1.00 0.00 H new ATOM 0 H1' DC A 8 -6.181 10.975 -0.063 1.00 0.00 H new ATOM 0 H41 DC A 8 -0.223 13.399 -0.617 1.00 0.00 H new ATOM 0 H42 DC A 8 -0.582 13.293 1.110 1.00 0.00 H new ATOM 0 H5 DC A 8 -1.867 12.999 -2.316 1.00 0.00 H new ATOM 0 H6 DC A 8 -4.172 12.340 -2.746 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 9 -0.492 13.439 10.593 1.00 0.00 O ATOM 255 C5' DG B 9 -0.122 12.088 10.745 1.00 0.00 C ATOM 256 C4' DG B 9 -1.287 11.210 10.275 1.00 0.00 C ATOM 257 O4' DG B 9 -1.541 11.474 8.910 1.00 0.00 O ATOM 258 C3' DG B 9 -0.947 9.715 10.333 1.00 0.00 C ATOM 259 O3' DG B 9 -2.085 8.886 10.197 1.00 0.00 O ATOM 260 C2' DG B 9 -0.168 9.541 9.034 1.00 0.00 C ATOM 261 C1' DG B 9 -1.058 10.393 8.124 1.00 0.00 C ATOM 262 N9 DG B 9 -0.434 10.961 6.912 1.00 0.00 N ATOM 263 C8 DG B 9 0.868 11.316 6.661 1.00 0.00 C ATOM 264 N7 DG B 9 1.047 11.890 5.503 1.00 0.00 N ATOM 265 C5 DG B 9 -0.230 11.933 4.948 1.00 0.00 C ATOM 266 C6 DG B 9 -0.690 12.439 3.695 1.00 0.00 C ATOM 267 O6 DG B 9 -0.045 13.019 2.827 1.00 0.00 O ATOM 268 N1 DG B 9 -2.044 12.217 3.487 1.00 0.00 N ATOM 269 C2 DG B 9 -2.881 11.646 4.415 1.00 0.00 C ATOM 270 N2 DG B 9 -4.156 11.465 4.093 1.00 0.00 N ATOM 271 N3 DG B 9 -2.474 11.218 5.613 1.00 0.00 N ATOM 272 C4 DG B 9 -1.140 11.377 5.810 1.00 0.00 C ATOM 0 H5' DG B 9 0.116 11.875 11.787 1.00 0.00 H new ATOM 0 H5'' DG B 9 0.774 11.873 10.163 1.00 0.00 H new ATOM 0 H4' DG B 9 -2.130 11.436 10.928 1.00 0.00 H new ATOM 0 H3' DG B 9 -0.457 9.454 11.271 1.00 0.00 H new ATOM 0 H2' DG B 9 0.853 9.916 9.099 1.00 0.00 H new ATOM 0 H2'' DG B 9 -0.106 8.501 8.713 1.00 0.00 H new ATOM 0 HO5' DG B 9 -1.161 13.517 9.881 1.00 0.00 H new ATOM 0 H1' DG B 9 -1.823 9.714 7.748 1.00 0.00 H new ATOM 0 H8 DG B 9 1.672 11.136 7.359 1.00 0.00 H new ATOM 0 H1 DG B 9 -2.442 12.495 2.590 1.00 0.00 H new ATOM 0 H21 DG B 9 -4.797 11.043 4.765 1.00 0.00 H new ATOM 0 H22 DG B 9 -4.495 11.748 3.173 1.00 0.00 H new ATOM 285 P DC B 10 -3.398 9.016 11.122 1.00 0.00 P ATOM 286 OP1 DC B 10 -4.449 9.706 10.345 1.00 0.00 O ATOM 287 OP2 DC B 10 -2.970 9.570 12.425 1.00 0.00 O ATOM 288 O5' DC B 10 -3.841 7.489 11.352 1.00 0.00 O ATOM 289 C5' DC B 10 -3.571 6.466 10.413 1.00 0.00 C ATOM 290 C4' DC B 10 -4.373 6.581 9.102 1.00 0.00 C ATOM 291 O4' DC B 10 -3.870 7.580 8.202 1.00 0.00 O ATOM 292 C3' DC B 10 -4.258 5.235 8.370 1.00 0.00 C ATOM 293 O3' DC B 10 -5.501 4.977 7.774 1.00 0.00 O ATOM 294 C2' DC B 10 -3.160 5.605 7.386 1.00 0.00 C ATOM 295 C1' DC B 10 -3.611 6.984 6.933 1.00 0.00 C ATOM 296 N1 DC B 10 -2.552 7.643 6.111 1.00 0.00 N ATOM 297 C2 DC B 10 -2.818 8.236 4.871 1.00 0.00 C ATOM 298 O2 DC B 10 -3.966 8.358 4.445 1.00 0.00 O ATOM 299 N3 DC B 10 -1.772 8.696 4.106 1.00 0.00 N ATOM 300 C4 DC B 10 -0.510 8.517 4.528 1.00 0.00 C ATOM 301 N4 DC B 10 0.494 9.058 3.845 1.00 0.00 N ATOM 302 C5 DC B 10 -0.216 7.855 5.756 1.00 0.00 C ATOM 303 C6 DC B 10 -1.264 7.452 6.487 1.00 0.00 C ATOM 0 H5' DC B 10 -3.785 5.501 10.873 1.00 0.00 H new ATOM 0 H5'' DC B 10 -2.507 6.477 10.177 1.00 0.00 H new ATOM 0 H4' DC B 10 -5.392 6.856 9.374 1.00 0.00 H new ATOM 0 H3' DC B 10 -4.029 4.336 8.942 1.00 0.00 H new ATOM 0 H2' DC B 10 -2.178 5.629 7.858 1.00 0.00 H new ATOM 0 H2'' DC B 10 -3.098 4.901 6.556 1.00 0.00 H new ATOM 0 H1' DC B 10 -4.472 7.034 6.266 1.00 0.00 H new ATOM 0 H41 DC B 10 1.455 8.926 4.160 1.00 0.00 H new ATOM 0 H42 DC B 10 0.303 9.605 3.006 1.00 0.00 H new ATOM 0 H5 DC B 10 0.800 7.687 6.081 1.00 0.00 H new ATOM 0 H6 DC B 10 -1.073 6.949 7.424 1.00 0.00 H new ATOM 315 P DG B 11 -6.072 3.494 7.600 1.00 0.00 P ATOM 316 OP1 DG B 11 -7.142 3.283 8.598 1.00 0.00 O ATOM 317 OP2 DG B 11 -4.935 2.554 7.509 1.00 0.00 O ATOM 318 O5' DG B 11 -6.721 3.661 6.153 1.00 0.00 O ATOM 319 C5' DG B 11 -7.707 4.638 5.899 1.00 0.00 C ATOM 320 C4' DG B 11 -8.041 4.638 4.406 1.00 0.00 C ATOM 321 O4' DG B 11 -7.037 5.360 3.716 1.00 0.00 O ATOM 322 C3' DG B 11 -8.077 3.217 3.834 1.00 0.00 C ATOM 323 O3' DG B 11 -9.148 3.123 2.915 1.00 0.00 O ATOM 324 C2' DG B 11 -6.684 3.075 3.222 1.00 0.00 C ATOM 325 C1' DG B 11 -6.304 4.510 2.855 1.00 0.00 C ATOM 326 N9 DG B 11 -4.863 4.793 3.029 1.00 0.00 N ATOM 327 C8 DG B 11 -4.092 4.580 4.143 1.00 0.00 C ATOM 328 N7 DG B 11 -2.890 5.068 4.062 1.00 0.00 N ATOM 329 C5 DG B 11 -2.837 5.602 2.783 1.00 0.00 C ATOM 330 C6 DG B 11 -1.743 6.187 2.088 1.00 0.00 C ATOM 331 O6 DG B 11 -0.626 6.446 2.522 1.00 0.00 O ATOM 332 N1 DG B 11 -2.035 6.472 0.770 1.00 0.00 N ATOM 333 C2 DG B 11 -3.268 6.295 0.193 1.00 0.00 C ATOM 334 N2 DG B 11 -3.384 6.574 -1.100 1.00 0.00 N ATOM 335 N3 DG B 11 -4.316 5.767 0.841 1.00 0.00 N ATOM 336 C4 DG B 11 -4.031 5.426 2.129 1.00 0.00 C ATOM 0 H5' DG B 11 -7.349 5.621 6.204 1.00 0.00 H new ATOM 0 H5'' DG B 11 -8.602 4.429 6.484 1.00 0.00 H new ATOM 0 H4' DG B 11 -9.024 5.092 4.281 1.00 0.00 H new ATOM 0 H3' DG B 11 -8.264 2.411 4.544 1.00 0.00 H new ATOM 0 H2' DG B 11 -5.977 2.642 3.930 1.00 0.00 H new ATOM 0 H2'' DG B 11 -6.695 2.427 2.346 1.00 0.00 H new ATOM 0 H1' DG B 11 -6.531 4.669 1.801 1.00 0.00 H new ATOM 0 H8 DG B 11 -4.453 4.052 5.013 1.00 0.00 H new ATOM 0 H1 DG B 11 -1.284 6.839 0.185 1.00 0.00 H new ATOM 0 H21 DG B 11 -4.282 6.456 -1.568 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.575 6.906 -1.625 1.00 0.00 H new ATOM 348 P DT B 12 -9.604 1.715 2.275 1.00 0.00 P ATOM 349 OP1 DT B 12 -10.983 1.869 1.764 1.00 0.00 O ATOM 350 OP2 DT B 12 -9.292 0.640 3.242 1.00 0.00 O ATOM 351 O5' DT B 12 -8.612 1.594 1.022 1.00 0.00 O ATOM 352 C5' DT B 12 -8.727 2.490 -0.061 1.00 0.00 C ATOM 353 C4' DT B 12 -7.535 2.356 -1.004 1.00 0.00 C ATOM 354 O4' DT B 12 -6.314 2.668 -0.373 1.00 0.00 O ATOM 355 C3' DT B 12 -7.335 0.934 -1.556 1.00 0.00 C ATOM 356 O3' DT B 12 -8.033 0.705 -2.777 1.00 0.00 O ATOM 357 C2' DT B 12 -5.811 0.760 -1.595 1.00 0.00 C ATOM 358 C1' DT B 12 -5.302 2.149 -1.215 1.00 0.00 C ATOM 359 N1 DT B 12 -4.015 2.164 -0.492 1.00 0.00 N ATOM 360 C2 DT B 12 -3.069 3.156 -0.667 1.00 0.00 C ATOM 361 O2 DT B 12 -3.031 3.863 -1.666 1.00 0.00 O ATOM 362 N3 DT B 12 -2.155 3.313 0.354 1.00 0.00 N ATOM 363 C4 DT B 12 -2.048 2.559 1.495 1.00 0.00 C ATOM 364 O4 DT B 12 -1.347 2.937 2.429 1.00 0.00 O ATOM 365 C5 DT B 12 -2.813 1.245 1.586 1.00 0.00 C ATOM 366 C7 DT B 12 -3.643 1.110 2.862 1.00 0.00 C ATOM 367 C6 DT B 12 -3.764 1.047 0.423 1.00 0.00 C ATOM 0 H5' DT B 12 -8.788 3.512 0.312 1.00 0.00 H new ATOM 0 H5'' DT B 12 -9.651 2.293 -0.605 1.00 0.00 H new ATOM 0 H4' DT B 12 -7.779 3.053 -1.805 1.00 0.00 H new ATOM 0 H3' DT B 12 -7.780 0.159 -0.932 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.473 -0.001 -0.892 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.463 0.458 -2.583 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.111 2.726 -2.120 1.00 0.00 H new ATOM 0 H3 DT B 12 -1.484 4.074 0.249 1.00 0.00 H new ATOM 0 H71 DT B 12 -4.518 0.492 2.663 1.00 0.00 H new ATOM 0 H72 DT B 12 -3.039 0.644 3.641 1.00 0.00 H new ATOM 0 H73 DT B 12 -3.964 2.098 3.193 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.251 0.095 0.270 1.00 0.00 H new ATOM 380 P DA B 13 -7.699 1.398 -4.216 1.00 0.00 P ATOM 381 OP1 DA B 13 -7.302 2.807 -4.018 1.00 0.00 O ATOM 382 OP2 DA B 13 -8.826 1.085 -5.121 1.00 0.00 O ATOM 383 O5' DA B 13 -6.411 0.597 -4.728 1.00 0.00 O ATOM 384 C5' DA B 13 -6.488 -0.785 -4.972 1.00 0.00 C ATOM 385 C4' DA B 13 -5.140 -1.280 -5.493 1.00 0.00 C ATOM 386 O4' DA B 13 -4.157 -1.344 -4.475 1.00 0.00 O ATOM 387 C3' DA B 13 -5.317 -2.700 -6.027 1.00 0.00 C ATOM 388 O3' DA B 13 -4.409 -2.986 -7.070 1.00 0.00 O ATOM 389 C2' DA B 13 -4.934 -3.470 -4.777 1.00 0.00 C ATOM 390 C1' DA B 13 -3.700 -2.679 -4.344 1.00 0.00 C ATOM 391 N9 DA B 13 -3.296 -2.938 -2.948 1.00 0.00 N ATOM 392 C8 DA B 13 -4.092 -2.858 -1.840 1.00 0.00 C ATOM 393 N7 DA B 13 -3.529 -3.302 -0.747 1.00 0.00 N ATOM 394 C5 DA B 13 -2.207 -3.513 -1.135 1.00 0.00 C ATOM 395 C6 DA B 13 -1.033 -3.813 -0.415 1.00 0.00 C ATOM 396 N6 DA B 13 -1.023 -4.162 0.869 1.00 0.00 N ATOM 397 N1 DA B 13 0.153 -3.636 -1.009 1.00 0.00 N ATOM 398 C2 DA B 13 0.181 -3.332 -2.299 1.00 0.00 C ATOM 399 N3 DA B 13 -0.845 -3.122 -3.123 1.00 0.00 N ATOM 400 C4 DA B 13 -2.032 -3.199 -2.459 1.00 0.00 C ATOM 0 H5' DA B 13 -7.272 -0.995 -5.700 1.00 0.00 H new ATOM 0 H5'' DA B 13 -6.754 -1.314 -4.057 1.00 0.00 H new ATOM 0 H4' DA B 13 -4.812 -0.578 -6.259 1.00 0.00 H new ATOM 0 H3' DA B 13 -6.299 -2.913 -6.449 1.00 0.00 H new ATOM 0 H2' DA B 13 -5.721 -3.459 -4.023 1.00 0.00 H new ATOM 0 H2'' DA B 13 -4.707 -4.516 -4.985 1.00 0.00 H new ATOM 0 H1' DA B 13 -2.818 -2.936 -4.931 1.00 0.00 H new ATOM 0 H8 DA B 13 -5.097 -2.463 -1.865 1.00 0.00 H new ATOM 0 H61 DA B 13 -0.139 -4.367 1.335 1.00 0.00 H new ATOM 0 H62 DA B 13 -1.899 -4.224 1.387 1.00 0.00 H new ATOM 0 H2 DA B 13 1.163 -3.243 -2.739 1.00 0.00 H new ATOM 412 P DC B 14 -4.654 -2.478 -8.578 1.00 0.00 P ATOM 413 OP1 DC B 14 -4.542 -1.004 -8.602 1.00 0.00 O ATOM 414 OP2 DC B 14 -5.892 -3.121 -9.068 1.00 0.00 O ATOM 415 O5' DC B 14 -3.403 -3.100 -9.374 1.00 0.00 O ATOM 416 C5' DC B 14 -3.239 -4.497 -9.494 1.00 0.00 C ATOM 417 C4' DC B 14 -2.020 -4.971 -8.695 1.00 0.00 C ATOM 418 O4' DC B 14 -2.154 -4.775 -7.288 1.00 0.00 O ATOM 419 C3' DC B 14 -1.836 -6.479 -8.909 1.00 0.00 C ATOM 420 O3' DC B 14 -0.675 -6.735 -9.672 1.00 0.00 O ATOM 421 C2' DC B 14 -1.754 -6.985 -7.474 1.00 0.00 C ATOM 422 C1' DC B 14 -1.347 -5.765 -6.670 1.00 0.00 C ATOM 423 N1 DC B 14 -1.645 -6.013 -5.231 1.00 0.00 N ATOM 424 C2 DC B 14 -0.588 -6.218 -4.353 1.00 0.00 C ATOM 425 O2 DC B 14 0.582 -6.161 -4.724 1.00 0.00 O ATOM 426 N3 DC B 14 -0.848 -6.493 -3.048 1.00 0.00 N ATOM 427 C4 DC B 14 -2.103 -6.657 -2.622 1.00 0.00 C ATOM 428 N4 DC B 14 -2.315 -6.882 -1.334 1.00 0.00 N ATOM 429 C5 DC B 14 -3.209 -6.558 -3.517 1.00 0.00 C ATOM 430 C6 DC B 14 -2.923 -6.249 -4.801 1.00 0.00 C ATOM 0 H5' DC B 14 -3.118 -4.765 -10.544 1.00 0.00 H new ATOM 0 H5'' DC B 14 -4.134 -5.005 -9.136 1.00 0.00 H new ATOM 0 H4' DC B 14 -1.175 -4.382 -9.052 1.00 0.00 H new ATOM 0 H3' DC B 14 -2.627 -6.971 -9.475 1.00 0.00 H new ATOM 0 H2' DC B 14 -2.711 -7.382 -7.137 1.00 0.00 H new ATOM 0 H2'' DC B 14 -1.023 -7.788 -7.376 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.293 -5.487 -6.670 1.00 0.00 H new ATOM 0 H41 DC B 14 -3.266 -7.010 -0.988 1.00 0.00 H new ATOM 0 H42 DC B 14 -1.527 -6.927 -0.688 1.00 0.00 H new ATOM 0 H5 DC B 14 -4.224 -6.722 -3.185 1.00 0.00 H new ATOM 0 H6 DC B 14 -3.732 -6.186 -5.514 1.00 0.00 H new ATOM 442 P DG B 15 -0.232 -8.239 -10.051 1.00 0.00 P ATOM 443 OP1 DG B 15 0.451 -8.198 -11.361 1.00 0.00 O ATOM 444 OP2 DG B 15 -1.399 -9.128 -9.860 1.00 0.00 O ATOM 445 O5' DG B 15 0.851 -8.578 -8.903 1.00 0.00 O ATOM 446 C5' DG B 15 2.135 -7.997 -8.947 1.00 0.00 C ATOM 447 C4' DG B 15 3.178 -8.507 -7.940 1.00 0.00 C ATOM 448 O4' DG B 15 2.698 -8.183 -6.652 1.00 0.00 O ATOM 449 C3' DG B 15 3.484 -10.026 -7.965 1.00 0.00 C ATOM 450 O3' DG B 15 4.785 -10.225 -7.412 1.00 0.00 O ATOM 451 C2' DG B 15 2.345 -10.447 -7.054 1.00 0.00 C ATOM 452 C1' DG B 15 2.553 -9.400 -5.969 1.00 0.00 C ATOM 453 N9 DG B 15 1.465 -9.370 -5.004 1.00 0.00 N ATOM 454 C8 DG B 15 0.171 -9.683 -5.227 1.00 0.00 C ATOM 455 N7 DG B 15 -0.565 -9.710 -4.145 1.00 0.00 N ATOM 456 C5 DG B 15 0.351 -9.437 -3.117 1.00 0.00 C ATOM 457 C6 DG B 15 0.230 -9.457 -1.688 1.00 0.00 C ATOM 458 O6 DG B 15 -0.782 -9.559 -0.997 1.00 0.00 O ATOM 459 N1 DG B 15 1.458 -9.345 -1.044 1.00 0.00 N ATOM 460 C2 DG B 15 2.661 -9.214 -1.689 1.00 0.00 C ATOM 461 N2 DG B 15 3.782 -9.171 -0.988 1.00 0.00 N ATOM 462 N3 DG B 15 2.786 -9.171 -3.008 1.00 0.00 N ATOM 463 C4 DG B 15 1.602 -9.276 -3.653 1.00 0.00 C ATOM 0 H5' DG B 15 2.023 -6.923 -8.801 1.00 0.00 H new ATOM 0 H5'' DG B 15 2.536 -8.143 -9.950 1.00 0.00 H new ATOM 0 H4' DG B 15 4.117 -8.028 -8.215 1.00 0.00 H new ATOM 0 H3' DG B 15 3.518 -10.559 -8.915 1.00 0.00 H new ATOM 0 H2' DG B 15 1.368 -10.377 -7.532 1.00 0.00 H new ATOM 0 H2'' DG B 15 2.448 -11.468 -6.687 1.00 0.00 H new ATOM 0 H1' DG B 15 3.432 -9.625 -5.366 1.00 0.00 H new ATOM 0 H8 DG B 15 -0.222 -9.893 -6.211 1.00 0.00 H new ATOM 0 H1 DG B 15 1.464 -9.361 -0.024 1.00 0.00 H new ATOM 0 H21 DG B 15 4.678 -9.074 -1.465 1.00 0.00 H new ATOM 0 H22 DG B 15 3.750 -9.235 0.029 1.00 0.00 H new ATOM 475 P DC B 16 5.721 -11.529 -7.675 1.00 0.00 P ATOM 476 OP1 DC B 16 7.050 -11.233 -7.098 1.00 0.00 O ATOM 477 OP2 DC B 16 5.615 -11.867 -9.111 1.00 0.00 O ATOM 478 O5' DC B 16 5.090 -12.754 -6.824 1.00 0.00 O ATOM 479 C5' DC B 16 4.597 -12.581 -5.511 1.00 0.00 C ATOM 480 C4' DC B 16 5.602 -12.575 -4.357 1.00 0.00 C ATOM 481 O4' DC B 16 5.136 -11.614 -3.420 1.00 0.00 O ATOM 482 C3' DC B 16 5.681 -13.920 -3.618 1.00 0.00 C ATOM 483 O3' DC B 16 6.849 -14.635 -3.957 1.00 0.00 O ATOM 484 C2' DC B 16 5.690 -13.497 -2.157 1.00 0.00 C ATOM 485 C1' DC B 16 4.860 -12.212 -2.163 1.00 0.00 C ATOM 486 N1 DC B 16 3.403 -12.431 -1.893 1.00 0.00 N ATOM 487 C2 DC B 16 2.997 -12.657 -0.574 1.00 0.00 C ATOM 488 O2 DC B 16 3.810 -12.679 0.348 1.00 0.00 O ATOM 489 N3 DC B 16 1.675 -12.859 -0.302 1.00 0.00 N ATOM 490 C4 DC B 16 0.771 -12.828 -1.289 1.00 0.00 C ATOM 491 N4 DC B 16 -0.508 -13.017 -0.998 1.00 0.00 N ATOM 492 C5 DC B 16 1.136 -12.480 -2.623 1.00 0.00 C ATOM 493 C6 DC B 16 2.447 -12.276 -2.863 1.00 0.00 C ATOM 0 H5' DC B 16 3.874 -13.374 -5.319 1.00 0.00 H new ATOM 0 H5'' DC B 16 4.051 -11.638 -5.482 1.00 0.00 H new ATOM 0 H4' DC B 16 6.589 -12.360 -4.766 1.00 0.00 H new ATOM 0 H3' DC B 16 4.863 -14.596 -3.868 1.00 0.00 H new ATOM 0 H2' DC B 16 5.249 -14.259 -1.514 1.00 0.00 H new ATOM 0 H2'' DC B 16 6.703 -13.321 -1.794 1.00 0.00 H new ATOM 0 HO3' DC B 16 6.867 -15.484 -3.467 1.00 0.00 H new ATOM 0 H1' DC B 16 5.136 -11.551 -1.342 1.00 0.00 H new ATOM 0 H41 DC B 16 -1.208 -12.996 -1.739 1.00 0.00 H new ATOM 0 H42 DC B 16 -0.792 -13.183 -0.033 1.00 0.00 H new ATOM 0 H5 DC B 16 0.397 -12.384 -3.405 1.00 0.00 H new ATOM 0 H6 DC B 16 2.755 -11.980 -3.855 1.00 0.00 H new TER 506 DC B 16 HETATM 507 O1 PSO B 1 -0.996 0.190 -1.609 1.00 0.00 O HETATM 508 C2 PSO B 1 -2.247 0.114 -1.489 1.00 0.00 C HETATM 509 C3 PSO B 1 -2.959 -0.098 -0.162 1.00 0.00 C HETATM 510 C4 PSO B 1 -2.087 0.000 1.044 1.00 0.00 C HETATM 511 C5 PSO B 1 0.154 0.358 1.819 1.00 0.00 C HETATM 512 C6 PSO B 1 1.528 0.550 1.569 1.00 0.00 C HETATM 513 C7 PSO B 1 1.990 0.548 0.300 1.00 0.00 C HETATM 514 C8 PSO B 1 1.121 0.225 -0.748 1.00 0.00 C HETATM 515 C9 PSO B 1 -0.276 0.238 -0.558 1.00 0.00 C HETATM 516 C10 PSO B 1 -0.743 0.228 0.748 1.00 0.00 C HETATM 517 C4' PSO B 1 2.672 0.211 2.476 1.00 0.00 C HETATM 518 C5' PSO B 1 3.809 0.455 1.496 1.00 0.00 C HETATM 519 O6' PSO B 1 3.242 0.595 0.187 1.00 0.00 O HETATM 520 O11 PSO B 1 -2.922 0.217 -2.506 1.00 0.00 O HETATM 521 C12 PSO B 1 -2.288 -1.184 1.994 1.00 0.00 C HETATM 522 C13 PSO B 1 2.713 0.974 3.807 1.00 0.00 C HETATM 523 O14 PSO B 1 2.322 2.327 3.743 1.00 0.00 O HETATM 524 C15 PSO B 1 4.631 1.632 2.012 1.00 0.00 C HETATM 525 C16 PSO B 1 1.693 -0.154 -2.085 1.00 0.00 C HETATM 0 H163 PSO B 1 2.290 0.672 -2.473 1.00 0.00 H new HETATM 0 H162 PSO B 1 2.323 -1.036 -1.974 1.00 0.00 H new HETATM 0 H161 PSO B 1 0.882 -0.373 -2.779 1.00 0.00 H new HETATM 0 H153 PSO B 1 3.997 2.516 2.081 1.00 0.00 H new HETATM 0 H152 PSO B 1 5.029 1.393 2.998 1.00 0.00 H new HETATM 0 H151 PSO B 1 5.455 1.829 1.326 1.00 0.00 H new HETATM 0 H132 PSO B 1 2.068 0.461 4.520 1.00 0.00 H new HETATM 0 H131 PSO B 1 3.728 0.925 4.203 1.00 0.00 H new HETATM 0 H123 PSO B 1 -3.326 -1.212 2.326 1.00 0.00 H new HETATM 0 H122 PSO B 1 -2.048 -2.112 1.475 1.00 0.00 H new HETATM 0 H121 PSO B 1 -1.634 -1.072 2.858 1.00 0.00 H new HETATM 0 H5 PSO B 1 -0.212 0.311 2.845 1.00 0.00 H new HETATM 0 H14 PSO B 1 2.379 2.727 4.636 1.00 0.00 H new