USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 530 hydrogens (300 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: A 13 CRH H6 : A 13 CRH C6 : A 12 DDA O1 :(H bumps) USER MOD NoAdj-H: A 13 CRH H21 : A 13 CRH C2 : A 14ADDA O1 :(H bumps) USER MOD NoAdj-H: B 17 CRH H6 : B 17 CRH C6 : B 16 DDA O1 :(H bumps) USER MOD NoAdj-H: B 17 CRH H21 : B 17 CRH C2 : B 18ADDA O1 :(H bumps) USER MOD NoAdj-H: B 23 CRH H6 : B 23 CRH C6 : B 22 DDA O1 :(H bumps) USER MOD NoAdj-H: B 23 CRH H21 : B 23 CRH C2 : B 24ADDA O1 :(H bumps) USER MOD NoAdj-H: A 27 CRH H6 : A 27 CRH C6 : A 26 DDA O1 :(H bumps) USER MOD NoAdj-H: A 27 CRH H21 : A 27 CRH C2 : A 28ADDA O1 :(H bumps) USER MOD Set 1.1: A 29CMDA O4 : rot 170:sc= -0.224 USER MOD Set 1.2: B 30CMDA O4 : rot 170:sc= -0.224 USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot 123:sc= -1.16 USER MOD Single : A 5 DT C7 :methyl 150:sc= -3.31! (180deg=-3.31!) USER MOD Single : A 9 DT C7 :methyl -30:sc= -1.78 (180deg=-2.55!) USER MOD Single : A 10 DA O3' : rot 180:sc= 0 USER MOD Single : A 11 DDA O3 : rot -94:sc= 1.04 USER MOD Single : A 11 DDA O4 : rot 31:sc= 0.0148 USER MOD Single : A 12 DDA O4 : rot 31:sc= 0.0326 USER MOD Single : A 13 CRH O3' : rot 26:sc= 1.03 USER MOD Single : A 13 CRH O4' : rot 35:sc= 0.193 USER MOD Single : A 13 CRH O8 : rot 166:sc= 1.72 USER MOD Single : A 14ADDA O4 : rot 26:sc=0.000585 USER MOD Single : A 14BDDL O4 : rot -19:sc= 0.0458 USER MOD Single : A 18CMDA O3 : rot 122:sc= 0.22 USER MOD Single : A 18CMDA O4 : rot -31:sc= -0.0153 USER MOD Single : A 25 DDA O3 : rot -96:sc= 0.946 USER MOD Single : A 25 DDA O4 : rot 26:sc= 0.0125 USER MOD Single : A 26 DDA O4 : rot 32:sc= 0.00507 USER MOD Single : A 27 CRH O3' : rot 154:sc= 0.0844 USER MOD Single : A 27 CRH O4' : rot -171:sc= 0.693 USER MOD Single : A 27 CRH O8 : rot 159:sc= 1.45 USER MOD Single : A 28ADDA O4 : rot 36:sc= 0.87 USER MOD Single : A 28BDDL O4 : rot -25:sc= 0.0418 USER MOD Single : A 29CMDA O3 : rot 67:sc= -2.05! USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 1 DT O5' : rot 120:sc= -1.17 USER MOD Single : B 5 DT C7 :methyl 150:sc= -3.31! (180deg=-3.31!) USER MOD Single : B 9 DT C7 :methyl -30:sc= -1.75 (180deg=-2.6!) USER MOD Single : B 10 DA O3' : rot 180:sc= 0 USER MOD Single : B 15 DDA O3 : rot -97:sc= 0.946 USER MOD Single : B 15 DDA O4 : rot 31:sc= 0.0116 USER MOD Single : B 16 DDA O4 : rot 30:sc= 0.00364 USER MOD Single : B 17 CRH O3' : rot 148:sc= 0.0809 USER MOD Single : B 17 CRH O4' : rot -172:sc= 0.719 USER MOD Single : B 17 CRH O8 : rot 171:sc= 1.67 USER MOD Single : B 18ADDA O4 : rot 36:sc= 0.855 USER MOD Single : B 18BDDL O4 : rot -33:sc= 0.0475 USER MOD Single : B 21 DDA O3 : rot -93:sc= 1.05 USER MOD Single : B 21 DDA O4 : rot 35:sc= 0.0162 USER MOD Single : B 22 DDA O4 : rot 24:sc= 0.0215 USER MOD Single : B 23 CRH O3' : rot 22:sc= 0.999 USER MOD Single : B 23 CRH O4' : rot 41:sc= 0.189 USER MOD Single : B 23 CRH O8 : rot 177:sc= 1.8 USER MOD Single : B 24ADDA O4 : rot 23:sc=0.000587 USER MOD Single : B 24BDDL O4 : rot -23:sc= 0.0448 USER MOD Single : B 28CMDA O3 : rot 125:sc= 0.193 USER MOD Single : B 28CMDA O4 : rot -30:sc=-0.00729 USER MOD Single : B 30CMDA O3 : rot 67:sc= -2.05! USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 -7.896 11.044 -16.982 1.00 1.50 O ATOM 2 C5' DT A 1 -7.909 11.905 -18.131 1.00 1.49 C ATOM 3 C4' DT A 1 -6.489 12.232 -18.608 1.00 1.22 C ATOM 4 O4' DT A 1 -5.721 12.883 -17.580 1.00 1.20 O ATOM 5 C3' DT A 1 -5.684 10.999 -19.023 1.00 0.96 C ATOM 6 O3' DT A 1 -4.810 11.357 -20.102 1.00 0.83 O ATOM 7 C2' DT A 1 -4.948 10.670 -17.753 1.00 0.91 C ATOM 8 C1' DT A 1 -4.630 12.041 -17.179 1.00 0.96 C ATOM 9 N1 DT A 1 -4.593 12.039 -15.696 1.00 0.95 N ATOM 10 C2 DT A 1 -3.394 12.316 -15.067 1.00 0.74 C ATOM 11 O2 DT A 1 -2.343 12.549 -15.655 1.00 0.62 O ATOM 12 N3 DT A 1 -3.429 12.317 -13.698 1.00 0.75 N ATOM 13 C4 DT A 1 -4.509 12.076 -12.893 1.00 0.97 C ATOM 14 O4 DT A 1 -4.354 12.127 -11.675 1.00 0.98 O ATOM 15 C5 DT A 1 -5.728 11.791 -13.617 1.00 1.20 C ATOM 16 C7 DT A 1 -7.027 11.500 -12.855 1.00 1.50 C ATOM 17 C6 DT A 1 -5.729 11.783 -14.968 1.00 1.19 C ATOM 0 H5' DT A 1 -8.433 12.829 -17.888 1.00 1.49 H new ATOM 0 H5'' DT A 1 -8.463 11.427 -18.938 1.00 1.49 H new ATOM 0 H4' DT A 1 -6.642 12.880 -19.471 1.00 1.22 H new ATOM 0 H3' DT A 1 -6.263 10.152 -19.390 1.00 0.96 H new ATOM 0 H2' DT A 1 -5.561 10.080 -17.072 1.00 0.91 H new ATOM 0 H2'' DT A 1 -4.043 10.094 -17.948 1.00 0.91 H new ATOM 0 HO5' DT A 1 -8.381 11.473 -16.246 1.00 1.50 H new ATOM 0 H1' DT A 1 -3.653 12.369 -17.534 1.00 0.96 H new ATOM 0 H3 DT A 1 -2.549 12.521 -13.224 1.00 0.75 H new ATOM 0 H71 DT A 1 -7.879 11.827 -13.451 1.00 1.50 H new ATOM 0 H72 DT A 1 -7.106 10.429 -12.666 1.00 1.50 H new ATOM 0 H73 DT A 1 -7.020 12.036 -11.906 1.00 1.50 H new ATOM 0 H6 DT A 1 -6.650 11.569 -15.491 1.00 1.19 H new ATOM 31 P DA A 2 -4.045 10.236 -20.975 1.00 0.65 P ATOM 32 OP1 DA A 2 -3.409 10.913 -22.128 1.00 0.86 O ATOM 33 OP2 DA A 2 -4.980 9.112 -21.208 1.00 0.68 O ATOM 34 O5' DA A 2 -2.898 9.735 -19.958 1.00 0.56 O ATOM 35 C5' DA A 2 -1.515 10.100 -20.099 1.00 0.54 C ATOM 36 C4' DA A 2 -0.658 9.488 -18.991 1.00 0.52 C ATOM 37 O4' DA A 2 -0.977 9.987 -17.676 1.00 0.55 O ATOM 38 C3' DA A 2 -0.859 7.966 -18.887 1.00 0.49 C ATOM 39 O3' DA A 2 0.209 7.308 -19.590 1.00 0.47 O ATOM 40 C2' DA A 2 -0.946 7.727 -17.381 1.00 0.51 C ATOM 41 C1' DA A 2 -0.472 9.019 -16.751 1.00 0.53 C ATOM 42 N9 DA A 2 -1.063 9.230 -15.419 1.00 0.54 N ATOM 43 C8 DA A 2 -2.332 8.955 -14.995 1.00 0.61 C ATOM 44 N7 DA A 2 -2.556 9.267 -13.748 1.00 0.60 N ATOM 45 C5 DA A 2 -1.336 9.787 -13.321 1.00 0.50 C ATOM 46 C6 DA A 2 -0.896 10.302 -12.097 1.00 0.46 C ATOM 47 N6 DA A 2 -1.684 10.383 -11.029 1.00 0.49 N ATOM 48 N1 DA A 2 0.376 10.731 -12.018 1.00 0.38 N ATOM 49 C2 DA A 2 1.167 10.656 -13.086 1.00 0.35 C ATOM 50 N3 DA A 2 0.855 10.189 -14.287 1.00 0.40 N ATOM 51 C4 DA A 2 -0.424 9.766 -14.335 1.00 0.47 C ATOM 0 H5' DA A 2 -1.420 11.186 -20.076 1.00 0.54 H new ATOM 0 H5'' DA A 2 -1.147 9.768 -21.070 1.00 0.54 H new ATOM 0 H4' DA A 2 0.359 9.759 -19.275 1.00 0.52 H new ATOM 0 H3' DA A 2 -1.753 7.555 -19.357 1.00 0.49 H new ATOM 0 H2' DA A 2 -1.966 7.491 -17.077 1.00 0.51 H new ATOM 0 H2'' DA A 2 -0.320 6.887 -17.078 1.00 0.51 H new ATOM 0 H1' DA A 2 0.606 9.053 -16.591 1.00 0.53 H new ATOM 0 H8 DA A 2 -3.084 8.518 -15.635 1.00 0.61 H new ATOM 0 H61 DA A 2 -1.322 10.766 -10.156 1.00 0.49 H new ATOM 0 H62 DA A 2 -2.651 10.062 -11.083 1.00 0.49 H new ATOM 0 H2 DA A 2 2.177 11.016 -12.960 1.00 0.35 H new ATOM 63 P DG A 3 0.743 5.824 -19.261 1.00 0.41 P ATOM 64 OP1 DG A 3 1.739 5.440 -20.283 1.00 0.41 O ATOM 65 OP2 DG A 3 -0.409 4.939 -18.976 1.00 0.48 O ATOM 66 O5' DG A 3 1.537 6.086 -17.894 1.00 0.40 O ATOM 67 C5' DG A 3 2.659 6.980 -17.864 1.00 0.35 C ATOM 68 C4' DG A 3 3.182 7.118 -16.447 1.00 0.31 C ATOM 69 O4' DG A 3 2.177 7.643 -15.551 1.00 0.36 O ATOM 70 C3' DG A 3 3.600 5.763 -15.876 1.00 0.29 C ATOM 71 O3' DG A 3 5.021 5.620 -15.947 1.00 0.26 O ATOM 72 C2' DG A 3 3.058 5.844 -14.466 1.00 0.31 C ATOM 73 C1' DG A 3 2.628 7.274 -14.244 1.00 0.33 C ATOM 74 N9 DG A 3 1.547 7.253 -13.232 1.00 0.35 N ATOM 75 C8 DG A 3 0.309 6.726 -13.419 1.00 0.42 C ATOM 76 N7 DG A 3 -0.482 6.799 -12.390 1.00 0.43 N ATOM 77 C5 DG A 3 0.299 7.431 -11.429 1.00 0.37 C ATOM 78 C6 DG A 3 -0.020 7.788 -10.092 1.00 0.35 C ATOM 79 O6 DG A 3 -1.054 7.633 -9.449 1.00 0.39 O ATOM 80 N1 DG A 3 1.031 8.396 -9.470 1.00 0.29 N ATOM 81 C2 DG A 3 2.246 8.646 -10.039 1.00 0.25 C ATOM 82 N2 DG A 3 3.123 9.232 -9.251 1.00 0.22 N ATOM 83 N3 DG A 3 2.577 8.326 -11.292 1.00 0.27 N ATOM 84 C4 DG A 3 1.548 7.717 -11.933 1.00 0.32 C ATOM 0 H5' DG A 3 2.365 7.957 -18.247 1.00 0.35 H new ATOM 0 H5'' DG A 3 3.449 6.606 -18.516 1.00 0.35 H new ATOM 0 H4' DG A 3 4.031 7.798 -16.513 1.00 0.31 H new ATOM 0 H3' DG A 3 3.223 4.888 -16.406 1.00 0.29 H new ATOM 0 H2' DG A 3 2.217 5.163 -14.336 1.00 0.31 H new ATOM 0 H2'' DG A 3 3.819 5.553 -13.742 1.00 0.31 H new ATOM 0 H1' DG A 3 3.380 7.970 -13.871 1.00 0.33 H new ATOM 0 H8 DG A 3 0.004 6.279 -14.354 1.00 0.42 H new ATOM 0 H1 DG A 3 0.898 8.687 -8.502 1.00 0.29 H new ATOM 0 H21 DG A 3 4.055 9.453 -9.601 1.00 0.22 H new ATOM 0 H22 DG A 3 2.870 9.465 -8.291 1.00 0.22 H new ATOM 96 P DC A 4 5.770 4.278 -15.448 1.00 0.27 P ATOM 97 OP1 DC A 4 7.155 4.312 -15.970 1.00 0.31 O ATOM 98 OP2 DC A 4 4.903 3.113 -15.741 1.00 0.38 O ATOM 99 O5' DC A 4 5.814 4.500 -13.856 1.00 0.30 O ATOM 100 C5' DC A 4 6.699 5.472 -13.285 1.00 0.25 C ATOM 101 C4' DC A 4 6.366 5.752 -11.828 1.00 0.21 C ATOM 102 O4' DC A 4 5.032 6.267 -11.630 1.00 0.26 O ATOM 103 C3' DC A 4 6.390 4.520 -10.925 1.00 0.21 C ATOM 104 O3' DC A 4 7.740 4.117 -10.665 1.00 0.23 O ATOM 105 C2' DC A 4 5.735 5.089 -9.711 1.00 0.23 C ATOM 106 C1' DC A 4 4.652 6.006 -10.263 1.00 0.24 C ATOM 107 N1 DC A 4 3.268 5.488 -10.065 1.00 0.26 N ATOM 108 C2 DC A 4 2.729 5.607 -8.787 1.00 0.24 C ATOM 109 O2 DC A 4 3.369 6.100 -7.862 1.00 0.25 O ATOM 110 N3 DC A 4 1.471 5.161 -8.558 1.00 0.26 N ATOM 111 C4 DC A 4 0.752 4.614 -9.537 1.00 0.31 C ATOM 112 N4 DC A 4 -0.481 4.207 -9.253 1.00 0.34 N ATOM 113 C5 DC A 4 1.279 4.476 -10.862 1.00 0.36 C ATOM 114 C6 DC A 4 2.535 4.924 -11.082 1.00 0.33 C ATOM 0 H5' DC A 4 6.639 6.398 -13.856 1.00 0.25 H new ATOM 0 H5'' DC A 4 7.727 5.117 -13.361 1.00 0.25 H new ATOM 0 H4' DC A 4 7.145 6.468 -11.568 1.00 0.21 H new ATOM 0 H3' DC A 4 5.909 3.626 -11.323 1.00 0.21 H new ATOM 0 H2' DC A 4 5.311 4.305 -9.084 1.00 0.23 H new ATOM 0 H2'' DC A 4 6.447 5.639 -9.096 1.00 0.23 H new ATOM 0 H1' DC A 4 4.595 6.944 -9.711 1.00 0.24 H new ATOM 0 H41 DC A 4 -1.058 3.784 -9.980 1.00 0.34 H new ATOM 0 H42 DC A 4 -0.850 4.318 -8.308 1.00 0.34 H new ATOM 0 H5 DC A 4 0.695 4.031 -11.654 1.00 0.36 H new ATOM 0 H6 DC A 4 2.968 4.838 -12.068 1.00 0.33 H new ATOM 126 P DT A 5 8.074 2.925 -9.629 1.00 0.23 P ATOM 127 OP1 DT A 5 9.527 2.649 -9.695 1.00 0.32 O ATOM 128 OP2 DT A 5 7.102 1.830 -9.847 1.00 0.29 O ATOM 129 O5' DT A 5 7.733 3.604 -8.204 1.00 0.23 O ATOM 130 C5' DT A 5 8.557 4.611 -7.595 1.00 0.26 C ATOM 131 C4' DT A 5 8.526 4.486 -6.071 1.00 0.24 C ATOM 132 O4' DT A 5 7.204 4.693 -5.513 1.00 0.23 O ATOM 133 C3' DT A 5 8.957 3.085 -5.630 1.00 0.22 C ATOM 134 O3' DT A 5 9.756 3.138 -4.445 1.00 0.24 O ATOM 135 C2' DT A 5 7.646 2.381 -5.438 1.00 0.22 C ATOM 136 C1' DT A 5 6.724 3.472 -4.918 1.00 0.20 C ATOM 137 N1 DT A 5 5.352 3.184 -5.382 1.00 0.17 N ATOM 138 C2 DT A 5 4.319 3.131 -4.455 1.00 0.18 C ATOM 139 O2 DT A 5 4.446 3.332 -3.251 1.00 0.19 O ATOM 140 N3 DT A 5 3.083 2.825 -4.966 1.00 0.18 N ATOM 141 C4 DT A 5 2.783 2.572 -6.279 1.00 0.19 C ATOM 142 O4 DT A 5 1.624 2.319 -6.588 1.00 0.21 O ATOM 143 C5 DT A 5 3.906 2.644 -7.176 1.00 0.19 C ATOM 144 C7 DT A 5 3.694 2.330 -8.651 1.00 0.23 C ATOM 145 C6 DT A 5 5.130 2.948 -6.713 1.00 0.18 C ATOM 0 H5' DT A 5 8.209 5.601 -7.891 1.00 0.26 H new ATOM 0 H5'' DT A 5 9.582 4.514 -7.952 1.00 0.26 H new ATOM 0 H4' DT A 5 9.207 5.257 -5.710 1.00 0.24 H new ATOM 0 H3' DT A 5 9.596 2.568 -6.346 1.00 0.22 H new ATOM 0 H2' DT A 5 7.278 1.958 -6.373 1.00 0.22 H new ATOM 0 H2'' DT A 5 7.733 1.558 -4.728 1.00 0.22 H new ATOM 0 H1' DT A 5 6.713 3.538 -3.830 1.00 0.20 H new ATOM 0 H3 DT A 5 2.310 2.781 -4.302 1.00 0.18 H new ATOM 0 H71 DT A 5 4.402 2.902 -9.250 1.00 0.23 H new ATOM 0 H72 DT A 5 3.851 1.265 -8.823 1.00 0.23 H new ATOM 0 H73 DT A 5 2.677 2.597 -8.937 1.00 0.23 H new ATOM 0 H6 DT A 5 5.957 3.008 -7.405 1.00 0.18 H new ATOM 158 P DA A 6 10.490 1.802 -3.927 1.00 0.28 P ATOM 159 OP1 DA A 6 11.378 2.173 -2.802 1.00 0.38 O ATOM 160 OP2 DA A 6 11.044 1.085 -5.097 1.00 0.37 O ATOM 161 O5' DA A 6 9.244 0.945 -3.353 1.00 0.28 O ATOM 162 C5' DA A 6 8.825 1.078 -1.990 1.00 0.21 C ATOM 163 C4' DA A 6 7.762 0.053 -1.591 1.00 0.19 C ATOM 164 O4' DA A 6 6.477 0.402 -2.139 1.00 0.18 O ATOM 165 C3' DA A 6 8.036 -1.395 -2.040 1.00 0.20 C ATOM 166 O3' DA A 6 8.482 -2.201 -0.937 1.00 0.22 O ATOM 167 C2' DA A 6 6.700 -1.831 -2.618 1.00 0.19 C ATOM 168 C1' DA A 6 5.684 -0.784 -2.199 1.00 0.17 C ATOM 169 N9 DA A 6 4.686 -0.576 -3.261 1.00 0.16 N ATOM 170 C8 DA A 6 4.906 -0.341 -4.592 1.00 0.17 C ATOM 171 N7 DA A 6 3.819 -0.201 -5.294 1.00 0.15 N ATOM 172 C5 DA A 6 2.805 -0.355 -4.353 1.00 0.12 C ATOM 173 C6 DA A 6 1.415 -0.319 -4.450 1.00 0.13 C ATOM 174 N6 DA A 6 0.782 -0.119 -5.598 1.00 0.17 N ATOM 175 N1 DA A 6 0.704 -0.507 -3.329 1.00 0.16 N ATOM 176 C2 DA A 6 1.337 -0.720 -2.181 1.00 0.16 C ATOM 177 N3 DA A 6 2.639 -0.778 -1.963 1.00 0.16 N ATOM 178 C4 DA A 6 3.325 -0.583 -3.111 1.00 0.13 C ATOM 0 H5' DA A 6 8.431 2.082 -1.833 1.00 0.21 H new ATOM 0 H5'' DA A 6 9.691 0.969 -1.337 1.00 0.21 H new ATOM 0 H4' DA A 6 7.785 0.085 -0.502 1.00 0.19 H new ATOM 0 H3' DA A 6 8.839 -1.494 -2.770 1.00 0.20 H new ATOM 0 H2' DA A 6 6.754 -1.906 -3.704 1.00 0.19 H new ATOM 0 H2'' DA A 6 6.419 -2.815 -2.244 1.00 0.19 H new ATOM 0 H1' DA A 6 5.160 -1.055 -1.283 1.00 0.17 H new ATOM 0 H8 DA A 6 5.895 -0.277 -5.022 1.00 0.17 H new ATOM 0 H61 DA A 6 -0.238 -0.101 -5.622 1.00 0.17 H new ATOM 0 H62 DA A 6 1.315 0.016 -6.457 1.00 0.17 H new ATOM 0 H2 DA A 6 0.707 -0.864 -1.315 1.00 0.16 H new ATOM 190 P DG A 7 8.595 -3.815 -1.016 1.00 0.21 P ATOM 191 OP1 DG A 7 9.207 -4.300 0.241 1.00 0.26 O ATOM 192 OP2 DG A 7 9.170 -4.201 -2.324 1.00 0.26 O ATOM 193 O5' DG A 7 7.042 -4.245 -0.991 1.00 0.20 O ATOM 194 C5' DG A 7 6.285 -3.954 0.191 1.00 0.18 C ATOM 195 C4' DG A 7 4.806 -4.221 0.064 1.00 0.17 C ATOM 196 O4' DG A 7 4.255 -3.420 -0.989 1.00 0.17 O ATOM 197 C3' DG A 7 4.470 -5.656 -0.333 1.00 0.18 C ATOM 198 O3' DG A 7 4.243 -6.504 0.800 1.00 0.22 O ATOM 199 C2' DG A 7 3.217 -5.471 -1.110 1.00 0.17 C ATOM 200 C1' DG A 7 2.983 -3.997 -1.280 1.00 0.15 C ATOM 201 N9 DG A 7 2.671 -3.799 -2.697 1.00 0.15 N ATOM 202 C8 DG A 7 3.592 -3.702 -3.674 1.00 0.17 C ATOM 203 N7 DG A 7 3.094 -3.526 -4.872 1.00 0.18 N ATOM 204 C5 DG A 7 1.715 -3.512 -4.648 1.00 0.16 C ATOM 205 C6 DG A 7 0.619 -3.358 -5.555 1.00 0.18 C ATOM 206 O6 DG A 7 0.600 -3.185 -6.770 1.00 0.20 O ATOM 207 N1 DG A 7 -0.588 -3.412 -4.900 1.00 0.18 N ATOM 208 C2 DG A 7 -0.747 -3.586 -3.554 1.00 0.17 C ATOM 209 N2 DG A 7 -1.987 -3.626 -3.116 1.00 0.21 N ATOM 210 N3 DG A 7 0.254 -3.728 -2.694 1.00 0.16 N ATOM 211 C4 DG A 7 1.454 -3.681 -3.310 1.00 0.14 C ATOM 0 H5' DG A 7 6.432 -2.906 0.453 1.00 0.18 H new ATOM 0 H5'' DG A 7 6.680 -4.547 1.016 1.00 0.18 H new ATOM 0 H4' DG A 7 4.399 -4.000 1.051 1.00 0.17 H new ATOM 0 H3' DG A 7 5.277 -6.145 -0.878 1.00 0.18 H new ATOM 0 H2' DG A 7 3.297 -5.958 -2.082 1.00 0.17 H new ATOM 0 H2'' DG A 7 2.376 -5.932 -0.591 1.00 0.17 H new ATOM 0 H1' DG A 7 2.190 -3.577 -0.661 1.00 0.15 H new ATOM 0 H8 DG A 7 4.654 -3.764 -3.485 1.00 0.17 H new ATOM 0 H1 DG A 7 -1.433 -3.314 -5.464 1.00 0.18 H new ATOM 0 H21 DG A 7 -2.173 -3.754 -2.121 1.00 0.21 H new ATOM 0 H22 DG A 7 -2.763 -3.529 -3.771 1.00 0.21 H new ATOM 223 P DC A 8 3.988 -8.096 0.631 1.00 0.24 P ATOM 224 OP1 DC A 8 4.030 -8.697 1.983 1.00 0.33 O ATOM 225 OP2 DC A 8 4.894 -8.604 -0.423 1.00 0.30 O ATOM 226 O5' DC A 8 2.469 -8.185 0.077 1.00 0.24 O ATOM 227 C5' DC A 8 1.329 -8.064 0.945 1.00 0.20 C ATOM 228 C4' DC A 8 0.003 -8.089 0.188 1.00 0.19 C ATOM 229 O4' DC A 8 -0.117 -6.995 -0.733 1.00 0.21 O ATOM 230 C3' DC A 8 -0.223 -9.335 -0.682 1.00 0.20 C ATOM 231 O3' DC A 8 -0.647 -10.467 0.102 1.00 0.22 O ATOM 232 C2' DC A 8 -1.365 -8.813 -1.519 1.00 0.21 C ATOM 233 C1' DC A 8 -1.021 -7.368 -1.786 1.00 0.20 C ATOM 234 N1 DC A 8 -0.462 -7.107 -3.132 1.00 0.19 N ATOM 235 C2 DC A 8 -1.336 -7.071 -4.201 1.00 0.24 C ATOM 236 O2 DC A 8 -2.534 -7.283 -4.050 1.00 0.29 O ATOM 237 N3 DC A 8 -0.848 -6.801 -5.437 1.00 0.25 N ATOM 238 C4 DC A 8 0.452 -6.572 -5.621 1.00 0.24 C ATOM 239 N4 DC A 8 0.875 -6.304 -6.850 1.00 0.27 N ATOM 240 C5 DC A 8 1.369 -6.607 -4.524 1.00 0.23 C ATOM 241 C6 DC A 8 0.869 -6.880 -3.312 1.00 0.20 C ATOM 0 H5' DC A 8 1.404 -7.133 1.507 1.00 0.20 H new ATOM 0 H5'' DC A 8 1.343 -8.877 1.671 1.00 0.20 H new ATOM 0 H4' DC A 8 -0.724 -8.052 1.000 1.00 0.19 H new ATOM 0 H3' DC A 8 0.653 -9.695 -1.221 1.00 0.20 H new ATOM 0 H2' DC A 8 -1.463 -9.374 -2.448 1.00 0.21 H new ATOM 0 H2'' DC A 8 -2.315 -8.902 -0.991 1.00 0.21 H new ATOM 0 H1' DC A 8 -1.927 -6.761 -1.787 1.00 0.20 H new ATOM 0 H41 DC A 8 1.864 -6.125 -7.021 1.00 0.27 H new ATOM 0 H42 DC A 8 0.211 -6.277 -7.624 1.00 0.27 H new ATOM 0 H5 DC A 8 2.423 -6.421 -4.667 1.00 0.23 H new ATOM 0 H6 DC A 8 1.533 -6.921 -2.462 1.00 0.20 H new ATOM 253 P DT A 9 -1.191 -11.820 -0.608 1.00 0.24 P ATOM 254 OP1 DT A 9 -1.558 -12.812 0.428 1.00 0.28 O ATOM 255 OP2 DT A 9 -0.252 -12.192 -1.689 1.00 0.30 O ATOM 256 O5' DT A 9 -2.557 -11.313 -1.298 1.00 0.25 O ATOM 257 C5' DT A 9 -3.764 -10.993 -0.573 1.00 0.22 C ATOM 258 C4' DT A 9 -4.966 -11.300 -1.455 1.00 0.18 C ATOM 259 O4' DT A 9 -4.992 -10.478 -2.635 1.00 0.22 O ATOM 260 C3' DT A 9 -4.959 -12.746 -1.877 1.00 0.19 C ATOM 261 O3' DT A 9 -6.256 -13.254 -1.545 1.00 0.29 O ATOM 262 C2' DT A 9 -4.649 -12.682 -3.327 1.00 0.20 C ATOM 263 C1' DT A 9 -5.094 -11.312 -3.790 1.00 0.21 C ATOM 264 N1 DT A 9 -4.076 -10.843 -4.753 1.00 0.20 N ATOM 265 C2 DT A 9 -4.439 -10.480 -6.034 1.00 0.26 C ATOM 266 O2 DT A 9 -5.590 -10.495 -6.457 1.00 0.32 O ATOM 267 N3 DT A 9 -3.406 -10.079 -6.846 1.00 0.29 N ATOM 268 C4 DT A 9 -2.073 -10.009 -6.505 1.00 0.29 C ATOM 269 O4 DT A 9 -1.271 -9.625 -7.349 1.00 0.36 O ATOM 270 C5 DT A 9 -1.781 -10.407 -5.147 1.00 0.25 C ATOM 271 C7 DT A 9 -0.348 -10.411 -4.606 1.00 0.29 C ATOM 272 C6 DT A 9 -2.773 -10.799 -4.341 1.00 0.20 C ATOM 0 H5' DT A 9 -3.765 -9.941 -0.288 1.00 0.22 H new ATOM 0 H5'' DT A 9 -3.815 -11.573 0.349 1.00 0.22 H new ATOM 0 H4' DT A 9 -5.853 -11.086 -0.859 1.00 0.18 H new ATOM 0 H3' DT A 9 -4.239 -13.411 -1.400 1.00 0.19 H new ATOM 0 H2' DT A 9 -3.583 -12.826 -3.505 1.00 0.20 H new ATOM 0 H2'' DT A 9 -5.172 -13.467 -3.873 1.00 0.20 H new ATOM 0 H1' DT A 9 -6.092 -11.308 -4.228 1.00 0.21 H new ATOM 0 H3 DT A 9 -3.651 -9.805 -7.798 1.00 0.29 H new ATOM 0 H71 DT A 9 0.348 -10.613 -5.420 1.00 0.29 H new ATOM 0 H72 DT A 9 -0.122 -9.439 -4.168 1.00 0.29 H new ATOM 0 H73 DT A 9 -0.249 -11.184 -3.844 1.00 0.29 H new ATOM 0 H6 DT A 9 -2.537 -11.091 -3.329 1.00 0.20 H new ATOM 285 P DA A 10 -6.702 -14.776 -1.796 1.00 0.39 P ATOM 286 OP1 DA A 10 -8.059 -14.961 -1.233 1.00 0.54 O ATOM 287 OP2 DA A 10 -5.599 -15.674 -1.385 1.00 0.45 O ATOM 288 O5' DA A 10 -6.805 -14.812 -3.404 1.00 0.37 O ATOM 289 C5' DA A 10 -7.795 -14.075 -4.142 1.00 0.39 C ATOM 290 C4' DA A 10 -7.494 -14.124 -5.630 1.00 0.39 C ATOM 291 O4' DA A 10 -6.248 -13.493 -5.902 1.00 0.33 O ATOM 292 C3' DA A 10 -7.284 -15.560 -6.129 1.00 0.43 C ATOM 293 O3' DA A 10 -8.485 -16.217 -6.540 1.00 0.56 O ATOM 294 C2' DA A 10 -6.243 -15.409 -7.224 1.00 0.39 C ATOM 295 C1' DA A 10 -5.928 -13.925 -7.221 1.00 0.32 C ATOM 296 N9 DA A 10 -4.530 -13.584 -7.426 1.00 0.29 N ATOM 297 C8 DA A 10 -3.513 -13.736 -6.547 1.00 0.30 C ATOM 298 N7 DA A 10 -2.359 -13.311 -6.994 1.00 0.37 N ATOM 299 C5 DA A 10 -2.664 -12.845 -8.277 1.00 0.37 C ATOM 300 C6 DA A 10 -1.904 -12.262 -9.304 1.00 0.46 C ATOM 301 N6 DA A 10 -0.601 -12.008 -9.242 1.00 0.53 N ATOM 302 N1 DA A 10 -2.550 -11.936 -10.428 1.00 0.46 N ATOM 303 C2 DA A 10 -3.851 -12.160 -10.545 1.00 0.40 C ATOM 304 N3 DA A 10 -4.669 -12.694 -9.661 1.00 0.34 N ATOM 305 C4 DA A 10 -3.994 -13.017 -8.537 1.00 0.31 C ATOM 0 H5' DA A 10 -7.814 -13.039 -3.803 1.00 0.39 H new ATOM 0 H5'' DA A 10 -8.784 -14.491 -3.951 1.00 0.39 H new ATOM 0 H4' DA A 10 -8.344 -13.644 -6.114 1.00 0.39 H new ATOM 0 H3' DA A 10 -6.946 -16.227 -5.336 1.00 0.43 H new ATOM 0 H2' DA A 10 -5.355 -16.007 -7.017 1.00 0.39 H new ATOM 0 H2'' DA A 10 -6.629 -15.734 -8.190 1.00 0.39 H new ATOM 0 HO3' DA A 10 -8.274 -17.124 -6.846 1.00 0.56 H new ATOM 0 H1' DA A 10 -6.481 -13.465 -8.039 1.00 0.32 H new ATOM 0 H8 DA A 10 -3.642 -14.169 -5.566 1.00 0.30 H new ATOM 0 H61 DA A 10 -0.126 -11.581 -10.037 1.00 0.53 H new ATOM 0 H62 DA A 10 -0.076 -12.240 -8.399 1.00 0.53 H new ATOM 0 H2 DA A 10 -4.297 -11.868 -11.484 1.00 0.40 H new TER 318 DA A 10 ATOM 319 O5' DT B 1 -0.157 -10.359 -18.380 1.00 1.53 O ATOM 320 C5' DT B 1 -0.800 -11.327 -19.223 1.00 1.50 C ATOM 321 C4' DT B 1 -2.217 -11.652 -18.731 1.00 1.26 C ATOM 322 O4' DT B 1 -2.206 -12.175 -17.391 1.00 1.17 O ATOM 323 C3' DT B 1 -3.148 -10.439 -18.705 1.00 0.97 C ATOM 324 O3' DT B 1 -4.480 -10.872 -19.015 1.00 0.83 O ATOM 325 C2' DT B 1 -2.997 -9.966 -17.285 1.00 0.91 C ATOM 326 C1' DT B 1 -2.870 -11.262 -16.505 1.00 0.96 C ATOM 327 N1 DT B 1 -2.020 -11.117 -15.298 1.00 0.95 N ATOM 328 C2 DT B 1 -2.602 -11.293 -14.058 1.00 0.75 C ATOM 329 O2 DT B 1 -3.788 -11.549 -13.882 1.00 0.63 O ATOM 330 N3 DT B 1 -1.762 -11.163 -12.984 1.00 0.76 N ATOM 331 C4 DT B 1 -0.425 -10.879 -13.004 1.00 0.97 C ATOM 332 O4 DT B 1 0.175 -10.807 -11.933 1.00 0.97 O ATOM 333 C5 DT B 1 0.118 -10.705 -14.333 1.00 1.20 C ATOM 334 C7 DT B 1 1.607 -10.381 -14.523 1.00 1.49 C ATOM 335 C6 DT B 1 -0.682 -10.826 -15.415 1.00 1.18 C ATOM 0 H5' DT B 1 -0.205 -12.240 -19.249 1.00 1.50 H new ATOM 0 H5'' DT B 1 -0.847 -10.948 -20.244 1.00 1.50 H new ATOM 0 H4' DT B 1 -2.585 -12.385 -19.449 1.00 1.26 H new ATOM 0 H3' DT B 1 -2.926 -9.650 -19.424 1.00 0.97 H new ATOM 0 H2' DT B 1 -2.118 -9.333 -17.162 1.00 0.91 H new ATOM 0 H2'' DT B 1 -3.858 -9.382 -16.960 1.00 0.91 H new ATOM 0 HO5' DT B 1 0.658 -10.747 -17.999 1.00 1.53 H new ATOM 0 H1' DT B 1 -3.856 -11.589 -16.176 1.00 0.96 H new ATOM 0 H3 DT B 1 -2.182 -11.293 -12.064 1.00 0.76 H new ATOM 0 H71 DT B 1 1.950 -10.792 -15.472 1.00 1.49 H new ATOM 0 H72 DT B 1 1.747 -9.300 -14.523 1.00 1.49 H new ATOM 0 H73 DT B 1 2.182 -10.821 -13.708 1.00 1.49 H new ATOM 0 H6 DT B 1 -0.258 -10.690 -16.399 1.00 1.18 H new ATOM 349 P DA B 2 -5.649 -9.817 -19.367 1.00 0.64 P ATOM 350 OP1 DA B 2 -6.823 -10.582 -19.845 1.00 0.87 O ATOM 351 OP2 DA B 2 -5.071 -8.752 -20.217 1.00 0.66 O ATOM 352 O5' DA B 2 -5.985 -9.185 -17.923 1.00 0.57 O ATOM 353 C5' DA B 2 -7.170 -9.516 -17.180 1.00 0.54 C ATOM 354 C4' DA B 2 -7.221 -8.772 -15.846 1.00 0.51 C ATOM 355 O4' DA B 2 -6.168 -9.151 -14.937 1.00 0.55 O ATOM 356 C3' DA B 2 -7.047 -7.254 -16.028 1.00 0.47 C ATOM 357 O3' DA B 2 -8.345 -6.636 -16.020 1.00 0.45 O ATOM 358 C2' DA B 2 -6.091 -6.874 -14.900 1.00 0.50 C ATOM 359 C1' DA B 2 -6.057 -8.083 -13.991 1.00 0.53 C ATOM 360 N9 DA B 2 -4.785 -8.184 -13.256 1.00 0.54 N ATOM 361 C8 DA B 2 -3.521 -7.909 -13.697 1.00 0.64 C ATOM 362 N7 DA B 2 -2.592 -8.106 -12.802 1.00 0.62 N ATOM 363 C5 DA B 2 -3.304 -8.543 -11.687 1.00 0.50 C ATOM 364 C6 DA B 2 -2.915 -8.923 -10.397 1.00 0.43 C ATOM 365 N6 DA B 2 -1.646 -8.925 -10.003 1.00 0.48 N ATOM 366 N1 DA B 2 -3.879 -9.301 -9.538 1.00 0.33 N ATOM 367 C2 DA B 2 -5.151 -9.304 -9.931 1.00 0.32 C ATOM 368 N3 DA B 2 -5.628 -8.966 -11.120 1.00 0.38 N ATOM 369 C4 DA B 2 -4.640 -8.592 -11.958 1.00 0.46 C ATOM 0 H5' DA B 2 -7.199 -10.591 -17.000 1.00 0.54 H new ATOM 0 H5'' DA B 2 -8.052 -9.268 -17.770 1.00 0.54 H new ATOM 0 H4' DA B 2 -8.199 -9.036 -15.444 1.00 0.51 H new ATOM 0 H3' DA B 2 -6.620 -6.917 -16.973 1.00 0.47 H new ATOM 0 H2' DA B 2 -5.098 -6.642 -15.286 1.00 0.50 H new ATOM 0 H2'' DA B 2 -6.441 -5.990 -14.367 1.00 0.50 H new ATOM 0 H1' DA B 2 -6.828 -8.067 -13.221 1.00 0.53 H new ATOM 0 H8 DA B 2 -3.310 -7.560 -14.697 1.00 0.64 H new ATOM 0 H61 DA B 2 -1.407 -9.210 -9.053 1.00 0.48 H new ATOM 0 H62 DA B 2 -0.911 -8.642 -10.651 1.00 0.48 H new ATOM 0 H2 DA B 2 -5.878 -9.618 -9.196 1.00 0.32 H new ATOM 381 P DG B 3 -8.626 -5.110 -15.583 1.00 0.40 P ATOM 382 OP1 DG B 3 -10.046 -4.794 -15.846 1.00 0.39 O ATOM 383 OP2 DG B 3 -7.558 -4.239 -16.124 1.00 0.46 O ATOM 384 O5' DG B 3 -8.446 -5.212 -13.994 1.00 0.41 O ATOM 385 C5' DG B 3 -9.303 -6.063 -13.218 1.00 0.38 C ATOM 386 C4' DG B 3 -8.877 -6.046 -11.763 1.00 0.34 C ATOM 387 O4' DG B 3 -7.521 -6.515 -11.593 1.00 0.38 O ATOM 388 C3' DG B 3 -8.918 -4.630 -11.189 1.00 0.30 C ATOM 389 O3' DG B 3 -10.110 -4.450 -10.417 1.00 0.27 O ATOM 390 C2' DG B 3 -7.643 -4.592 -10.376 1.00 0.32 C ATOM 391 C1' DG B 3 -7.121 -6.007 -10.315 1.00 0.32 C ATOM 392 N9 DG B 3 -5.652 -5.922 -10.151 1.00 0.35 N ATOM 393 C8 DG B 3 -4.783 -5.456 -11.085 1.00 0.41 C ATOM 394 N7 DG B 3 -3.534 -5.454 -10.725 1.00 0.43 N ATOM 395 C5 DG B 3 -3.572 -5.964 -9.433 1.00 0.36 C ATOM 396 C6 DG B 3 -2.510 -6.200 -8.517 1.00 0.35 C ATOM 397 O6 DG B 3 -1.302 -6.016 -8.633 1.00 0.41 O ATOM 398 N1 DG B 3 -2.969 -6.712 -7.339 1.00 0.29 N ATOM 399 C2 DG B 3 -4.276 -6.976 -7.049 1.00 0.25 C ATOM 400 N2 DG B 3 -4.495 -7.456 -5.843 1.00 0.23 N ATOM 401 N3 DG B 3 -5.295 -6.769 -7.885 1.00 0.26 N ATOM 402 C4 DG B 3 -4.868 -6.258 -9.066 1.00 0.31 C ATOM 0 H5' DG B 3 -9.263 -7.081 -13.604 1.00 0.38 H new ATOM 0 H5'' DG B 3 -10.337 -5.729 -13.306 1.00 0.38 H new ATOM 0 H4' DG B 3 -9.577 -6.702 -11.245 1.00 0.34 H new ATOM 0 H3' DG B 3 -8.957 -3.822 -11.920 1.00 0.30 H new ATOM 0 H2' DG B 3 -6.910 -3.929 -10.837 1.00 0.32 H new ATOM 0 H2'' DG B 3 -7.835 -4.207 -9.374 1.00 0.32 H new ATOM 0 H1' DG B 3 -7.483 -6.639 -9.504 1.00 0.32 H new ATOM 0 H8 DG B 3 -5.106 -5.112 -12.056 1.00 0.41 H new ATOM 0 H1 DG B 3 -2.279 -6.914 -6.616 1.00 0.29 H new ATOM 0 H21 DG B 3 -5.445 -7.680 -5.548 1.00 0.23 H new ATOM 0 H22 DG B 3 -3.714 -7.604 -5.204 1.00 0.23 H new ATOM 414 P DC B 4 -10.459 -3.043 -9.705 1.00 0.28 P ATOM 415 OP1 DC B 4 -11.882 -3.082 -9.298 1.00 0.31 O ATOM 416 OP2 DC B 4 -9.971 -1.940 -10.565 1.00 0.37 O ATOM 417 O5' DC B 4 -9.543 -3.108 -8.384 1.00 0.28 O ATOM 418 C5' DC B 4 -9.884 -3.991 -7.309 1.00 0.25 C ATOM 419 C4' DC B 4 -8.744 -4.139 -6.315 1.00 0.20 C ATOM 420 O4' DC B 4 -7.537 -4.675 -6.897 1.00 0.24 O ATOM 421 C3' DC B 4 -8.267 -2.825 -5.699 1.00 0.20 C ATOM 422 O3' DC B 4 -9.211 -2.356 -4.729 1.00 0.23 O ATOM 423 C2' DC B 4 -7.003 -3.295 -5.061 1.00 0.22 C ATOM 424 C1' DC B 4 -6.428 -4.296 -6.056 1.00 0.24 C ATOM 425 N1 DC B 4 -5.214 -3.806 -6.770 1.00 0.25 N ATOM 426 C2 DC B 4 -4.018 -3.816 -6.056 1.00 0.23 C ATOM 427 O2 DC B 4 -3.969 -4.199 -4.890 1.00 0.23 O ATOM 428 N3 DC B 4 -2.885 -3.391 -6.662 1.00 0.26 N ATOM 429 C4 DC B 4 -2.905 -2.965 -7.925 1.00 0.30 C ATOM 430 N4 DC B 4 -1.758 -2.571 -8.468 1.00 0.32 N ATOM 431 C5 DC B 4 -4.120 -2.939 -8.683 1.00 0.33 C ATOM 432 C6 DC B 4 -5.246 -3.366 -8.071 1.00 0.30 C ATOM 0 H5' DC B 4 -10.144 -4.970 -7.712 1.00 0.25 H new ATOM 0 H5'' DC B 4 -10.768 -3.613 -6.795 1.00 0.25 H new ATOM 0 H4' DC B 4 -9.194 -4.801 -5.576 1.00 0.20 H new ATOM 0 H3' DC B 4 -8.145 -1.991 -6.390 1.00 0.20 H new ATOM 0 H2' DC B 4 -6.315 -2.468 -4.886 1.00 0.22 H new ATOM 0 H2'' DC B 4 -7.195 -3.761 -4.094 1.00 0.22 H new ATOM 0 H1' DC B 4 -6.023 -5.177 -5.558 1.00 0.24 H new ATOM 0 H41 DC B 4 -1.738 -2.239 -9.432 1.00 0.32 H new ATOM 0 H42 DC B 4 -0.898 -2.600 -7.920 1.00 0.32 H new ATOM 0 H5 DC B 4 -4.135 -2.591 -9.705 1.00 0.33 H new ATOM 0 H6 DC B 4 -6.182 -3.361 -8.610 1.00 0.30 H new ATOM 444 P DT B 5 -8.903 -1.060 -3.817 1.00 0.23 P ATOM 445 OP1 DT B 5 -10.119 -0.747 -3.033 1.00 0.30 O ATOM 446 OP2 DT B 5 -8.286 -0.022 -4.673 1.00 0.28 O ATOM 447 O5' DT B 5 -7.762 -1.609 -2.815 1.00 0.25 O ATOM 448 C5' DT B 5 -8.031 -2.526 -1.743 1.00 0.25 C ATOM 449 C4' DT B 5 -7.107 -2.254 -0.555 1.00 0.22 C ATOM 450 O4' DT B 5 -5.706 -2.449 -0.873 1.00 0.22 O ATOM 451 C3' DT B 5 -7.237 -0.804 -0.083 1.00 0.19 C ATOM 452 O3' DT B 5 -7.175 -0.717 1.344 1.00 0.22 O ATOM 453 C2' DT B 5 -6.090 -0.126 -0.775 1.00 0.18 C ATOM 454 C1' DT B 5 -5.005 -1.191 -0.800 1.00 0.18 C ATOM 455 N1 DT B 5 -4.186 -0.993 -2.013 1.00 0.17 N ATOM 456 C2 DT B 5 -2.808 -0.883 -1.891 1.00 0.18 C ATOM 457 O2 DT B 5 -2.189 -0.963 -0.832 1.00 0.22 O ATOM 458 N3 DT B 5 -2.127 -0.668 -3.061 1.00 0.19 N ATOM 459 C4 DT B 5 -2.672 -0.552 -4.313 1.00 0.19 C ATOM 460 O4 DT B 5 -1.931 -0.368 -5.271 1.00 0.24 O ATOM 461 C5 DT B 5 -4.104 -0.676 -4.357 1.00 0.19 C ATOM 462 C7 DT B 5 -4.820 -0.513 -5.691 1.00 0.23 C ATOM 463 C6 DT B 5 -4.805 -0.894 -3.232 1.00 0.18 C ATOM 0 H5' DT B 5 -7.893 -3.550 -2.090 1.00 0.25 H new ATOM 0 H5'' DT B 5 -9.071 -2.433 -1.430 1.00 0.25 H new ATOM 0 H4' DT B 5 -7.417 -2.963 0.213 1.00 0.22 H new ATOM 0 H3' DT B 5 -8.192 -0.338 -0.327 1.00 0.19 H new ATOM 0 H2' DT B 5 -6.361 0.193 -1.781 1.00 0.18 H new ATOM 0 H2'' DT B 5 -5.766 0.764 -0.235 1.00 0.18 H new ATOM 0 H1' DT B 5 -4.349 -1.152 0.070 1.00 0.18 H new ATOM 0 H3 DT B 5 -1.113 -0.586 -2.993 1.00 0.19 H new ATOM 0 H71 DT B 5 -5.726 -1.119 -5.694 1.00 0.23 H new ATOM 0 H72 DT B 5 -5.084 0.535 -5.837 1.00 0.23 H new ATOM 0 H73 DT B 5 -4.164 -0.838 -6.498 1.00 0.23 H new ATOM 0 H6 DT B 5 -5.879 -0.993 -3.289 1.00 0.18 H new ATOM 476 P DA B 6 -7.502 0.686 2.063 1.00 0.29 P ATOM 477 OP1 DA B 6 -7.538 0.453 3.525 1.00 0.38 O ATOM 478 OP2 DA B 6 -8.665 1.303 1.388 1.00 0.39 O ATOM 479 O5' DA B 6 -6.187 1.554 1.701 1.00 0.28 O ATOM 480 C5' DA B 6 -5.036 1.541 2.555 1.00 0.22 C ATOM 481 C4' DA B 6 -3.979 2.565 2.144 1.00 0.18 C ATOM 482 O4' DA B 6 -3.258 2.124 0.978 1.00 0.22 O ATOM 483 C3' DA B 6 -4.511 3.971 1.807 1.00 0.19 C ATOM 484 O3' DA B 6 -4.243 4.894 2.875 1.00 0.21 O ATOM 485 C2' DA B 6 -3.793 4.305 0.511 1.00 0.20 C ATOM 486 C1' DA B 6 -2.694 3.273 0.343 1.00 0.19 C ATOM 487 N9 DA B 6 -2.514 2.932 -1.077 1.00 0.16 N ATOM 488 C8 DA B 6 -3.472 2.576 -1.988 1.00 0.18 C ATOM 489 N7 DA B 6 -3.010 2.334 -3.180 1.00 0.19 N ATOM 490 C5 DA B 6 -1.641 2.546 -3.043 1.00 0.14 C ATOM 491 C6 DA B 6 -0.579 2.457 -3.942 1.00 0.14 C ATOM 492 N6 DA B 6 -0.745 2.126 -5.216 1.00 0.15 N ATOM 493 N1 DA B 6 0.652 2.730 -3.486 1.00 0.14 N ATOM 494 C2 DA B 6 0.817 3.072 -2.213 1.00 0.15 C ATOM 495 N3 DA B 6 -0.104 3.193 -1.272 1.00 0.15 N ATOM 496 C4 DA B 6 -1.329 2.910 -1.765 1.00 0.13 C ATOM 0 H5' DA B 6 -4.593 0.545 2.544 1.00 0.22 H new ATOM 0 H5'' DA B 6 -5.348 1.740 3.580 1.00 0.22 H new ATOM 0 H4' DA B 6 -3.352 2.640 3.032 1.00 0.18 H new ATOM 0 H3' DA B 6 -5.593 4.025 1.690 1.00 0.19 H new ATOM 0 H2' DA B 6 -4.483 4.276 -0.332 1.00 0.20 H new ATOM 0 H2'' DA B 6 -3.376 5.312 0.548 1.00 0.20 H new ATOM 0 H1' DA B 6 -1.737 3.614 0.737 1.00 0.19 H new ATOM 0 H8 DA B 6 -4.520 2.502 -1.739 1.00 0.18 H new ATOM 0 H61 DA B 6 0.061 2.073 -5.838 1.00 0.15 H new ATOM 0 H62 DA B 6 -1.679 1.924 -5.573 1.00 0.15 H new ATOM 0 H2 DA B 6 1.832 3.277 -1.908 1.00 0.15 H new ATOM 508 P DG B 7 -4.431 6.495 2.722 1.00 0.20 P ATOM 509 OP1 DG B 7 -4.194 7.119 4.043 1.00 0.24 O ATOM 510 OP2 DG B 7 -5.682 6.772 1.981 1.00 0.27 O ATOM 511 O5' DG B 7 -3.181 6.876 1.780 1.00 0.21 O ATOM 512 C5' DG B 7 -1.862 6.678 2.304 1.00 0.20 C ATOM 513 C4' DG B 7 -0.755 6.884 1.300 1.00 0.15 C ATOM 514 O4' DG B 7 -0.909 5.967 0.210 1.00 0.16 O ATOM 515 C3' DG B 7 -0.767 8.262 0.644 1.00 0.17 C ATOM 516 O3' DG B 7 0.061 9.209 1.333 1.00 0.22 O ATOM 517 C2' DG B 7 -0.211 7.962 -0.703 1.00 0.17 C ATOM 518 C1' DG B 7 -0.078 6.471 -0.834 1.00 0.15 C ATOM 519 N9 DG B 7 -0.661 6.129 -2.132 1.00 0.15 N ATOM 520 C8 DG B 7 -1.978 5.965 -2.358 1.00 0.18 C ATOM 521 N7 DG B 7 -2.283 5.659 -3.592 1.00 0.18 N ATOM 522 C5 DG B 7 -1.040 5.624 -4.231 1.00 0.16 C ATOM 523 C6 DG B 7 -0.692 5.348 -5.590 1.00 0.18 C ATOM 524 O6 DG B 7 -1.392 5.057 -6.556 1.00 0.22 O ATOM 525 N1 DG B 7 0.666 5.426 -5.789 1.00 0.19 N ATOM 526 C2 DG B 7 1.587 5.725 -4.824 1.00 0.20 C ATOM 527 N2 DG B 7 2.842 5.767 -5.213 1.00 0.22 N ATOM 528 N3 DG B 7 1.287 5.980 -3.556 1.00 0.18 N ATOM 529 C4 DG B 7 -0.043 5.913 -3.333 1.00 0.15 C ATOM 0 H5' DG B 7 -1.791 5.666 2.703 1.00 0.20 H new ATOM 0 H5'' DG B 7 -1.710 7.361 3.140 1.00 0.20 H new ATOM 0 H4' DG B 7 0.165 6.747 1.869 1.00 0.15 H new ATOM 0 H3' DG B 7 -1.756 8.720 0.639 1.00 0.17 H new ATOM 0 H2' DG B 7 -0.866 8.355 -1.481 1.00 0.17 H new ATOM 0 H2'' DG B 7 0.759 8.443 -0.830 1.00 0.17 H new ATOM 0 H1' DG B 7 0.940 6.085 -0.769 1.00 0.15 H new ATOM 0 H8 DG B 7 -2.722 6.077 -1.583 1.00 0.18 H new ATOM 0 H1 DG B 7 1.014 5.247 -6.731 1.00 0.19 H new ATOM 0 H21 DG B 7 3.577 5.985 -4.541 1.00 0.22 H new ATOM 0 H22 DG B 7 3.080 5.582 -6.187 1.00 0.22 H new ATOM 541 P DC B 8 0.116 10.767 0.893 1.00 0.24 P ATOM 542 OP1 DC B 8 0.865 11.497 1.940 1.00 0.31 O ATOM 543 OP2 DC B 8 -1.255 11.199 0.538 1.00 0.32 O ATOM 544 O5' DC B 8 1.006 10.755 -0.461 1.00 0.22 O ATOM 545 C5' DC B 8 2.441 10.682 -0.431 1.00 0.19 C ATOM 546 C4' DC B 8 3.060 10.591 -1.825 1.00 0.19 C ATOM 547 O4' DC B 8 2.645 9.409 -2.525 1.00 0.22 O ATOM 548 C3' DC B 8 2.685 11.738 -2.774 1.00 0.19 C ATOM 549 O3' DC B 8 3.455 12.927 -2.508 1.00 0.23 O ATOM 550 C2' DC B 8 3.125 11.102 -4.070 1.00 0.20 C ATOM 551 C1' DC B 8 2.736 9.649 -3.939 1.00 0.20 C ATOM 552 N1 DC B 8 1.496 9.277 -4.658 1.00 0.21 N ATOM 553 C2 DC B 8 1.566 9.110 -6.029 1.00 0.25 C ATOM 554 O2 DC B 8 2.611 9.298 -6.639 1.00 0.31 O ATOM 555 N3 DC B 8 0.449 8.738 -6.700 1.00 0.26 N ATOM 556 C4 DC B 8 -0.700 8.533 -6.054 1.00 0.23 C ATOM 557 N4 DC B 8 -1.760 8.161 -6.761 1.00 0.27 N ATOM 558 C5 DC B 8 -0.788 8.704 -4.637 1.00 0.21 C ATOM 559 C6 DC B 8 0.326 9.076 -3.991 1.00 0.20 C ATOM 0 H5' DC B 8 2.744 9.813 0.153 1.00 0.19 H new ATOM 0 H5'' DC B 8 2.834 11.561 0.079 1.00 0.19 H new ATOM 0 H4' DC B 8 4.127 10.610 -1.605 1.00 0.19 H new ATOM 0 H3' DC B 8 1.648 12.071 -2.720 1.00 0.19 H new ATOM 0 H2' DC B 8 2.635 11.567 -4.925 1.00 0.20 H new ATOM 0 H2'' DC B 8 4.199 11.212 -4.220 1.00 0.20 H new ATOM 0 H1' DC B 8 3.484 9.016 -4.418 1.00 0.20 H new ATOM 0 H41 DC B 8 -2.652 7.997 -6.295 1.00 0.27 H new ATOM 0 H42 DC B 8 -1.682 8.039 -7.771 1.00 0.27 H new ATOM 0 H5 DC B 8 -1.715 8.540 -4.108 1.00 0.21 H new ATOM 0 H6 DC B 8 0.295 9.219 -2.921 1.00 0.20 H new ATOM 571 P DT B 9 3.428 14.187 -3.530 1.00 0.24 P ATOM 572 OP1 DT B 9 4.307 15.262 -3.015 1.00 0.29 O ATOM 573 OP2 DT B 9 2.020 14.484 -3.874 1.00 0.29 O ATOM 574 O5' DT B 9 4.135 13.573 -4.841 1.00 0.26 O ATOM 575 C5' DT B 9 5.545 13.286 -4.947 1.00 0.22 C ATOM 576 C4' DT B 9 5.979 13.467 -6.396 1.00 0.17 C ATOM 577 O4' DT B 9 5.327 12.535 -7.275 1.00 0.24 O ATOM 578 C3' DT B 9 5.678 14.865 -6.868 1.00 0.19 C ATOM 579 O3' DT B 9 6.901 15.361 -7.421 1.00 0.28 O ATOM 580 C2' DT B 9 4.570 14.670 -7.837 1.00 0.19 C ATOM 581 C1' DT B 9 4.696 13.250 -8.338 1.00 0.19 C ATOM 582 N1 DT B 9 3.321 12.722 -8.459 1.00 0.20 N ATOM 583 C2 DT B 9 2.865 12.225 -9.664 1.00 0.26 C ATOM 584 O2 DT B 9 3.540 12.163 -10.685 1.00 0.31 O ATOM 585 N3 DT B 9 1.566 11.780 -9.661 1.00 0.30 N ATOM 586 C4 DT B 9 0.698 11.786 -8.591 1.00 0.31 C ATOM 587 O4 DT B 9 -0.435 11.348 -8.752 1.00 0.37 O ATOM 588 C5 DT B 9 1.255 12.322 -7.371 1.00 0.25 C ATOM 589 C7 DT B 9 0.424 12.425 -6.090 1.00 0.28 C ATOM 590 C6 DT B 9 2.519 12.759 -7.353 1.00 0.20 C ATOM 0 H5' DT B 9 5.748 12.267 -4.617 1.00 0.22 H new ATOM 0 H5'' DT B 9 6.115 13.950 -4.297 1.00 0.22 H new ATOM 0 H4' DT B 9 7.053 13.283 -6.426 1.00 0.17 H new ATOM 0 H3' DT B 9 5.362 15.596 -6.124 1.00 0.19 H new ATOM 0 H2' DT B 9 3.603 14.831 -7.361 1.00 0.19 H new ATOM 0 H2'' DT B 9 4.642 15.381 -8.660 1.00 0.19 H new ATOM 0 H1' DT B 9 5.238 13.172 -9.280 1.00 0.19 H new ATOM 0 H3 DT B 9 1.207 11.407 -10.540 1.00 0.30 H new ATOM 0 H71 DT B 9 -0.625 12.570 -6.348 1.00 0.28 H new ATOM 0 H72 DT B 9 0.532 11.508 -5.511 1.00 0.28 H new ATOM 0 H73 DT B 9 0.772 13.271 -5.498 1.00 0.28 H new ATOM 0 H6 DT B 9 2.920 13.155 -6.432 1.00 0.20 H new ATOM 603 P DA B 10 7.062 16.837 -8.034 1.00 0.38 P ATOM 604 OP1 DA B 10 8.480 17.033 -8.407 1.00 0.52 O ATOM 605 OP2 DA B 10 6.390 17.805 -7.138 1.00 0.44 O ATOM 606 O5' DA B 10 6.188 16.713 -9.384 1.00 0.35 O ATOM 607 C5' DA B 10 6.573 15.878 -10.490 1.00 0.39 C ATOM 608 C4' DA B 10 5.447 15.792 -11.504 1.00 0.36 C ATOM 609 O4' DA B 10 4.302 15.178 -10.922 1.00 0.30 O ATOM 610 C3' DA B 10 4.935 17.178 -11.919 1.00 0.41 C ATOM 611 O3' DA B 10 5.637 17.755 -13.024 1.00 0.52 O ATOM 612 C2' DA B 10 3.453 16.956 -12.161 1.00 0.39 C ATOM 613 C1' DA B 10 3.249 15.490 -11.829 1.00 0.31 C ATOM 614 N9 DA B 10 2.014 15.176 -11.131 1.00 0.29 N ATOM 615 C8 DA B 10 1.712 15.444 -9.839 1.00 0.30 C ATOM 616 N7 DA B 10 0.532 15.014 -9.470 1.00 0.37 N ATOM 617 C5 DA B 10 0.032 14.418 -10.633 1.00 0.38 C ATOM 618 C6 DA B 10 -1.171 13.762 -10.946 1.00 0.46 C ATOM 619 N6 DA B 10 -2.175 13.557 -10.100 1.00 0.54 N ATOM 620 N1 DA B 10 -1.306 13.308 -12.196 1.00 0.46 N ATOM 621 C2 DA B 10 -0.336 13.478 -13.083 1.00 0.40 C ATOM 622 N3 DA B 10 0.828 14.070 -12.913 1.00 0.35 N ATOM 623 C4 DA B 10 0.941 14.520 -11.646 1.00 0.32 C ATOM 0 H5' DA B 10 6.824 14.880 -10.131 1.00 0.39 H new ATOM 0 H5'' DA B 10 7.468 16.281 -10.964 1.00 0.39 H new ATOM 0 H4' DA B 10 5.861 15.239 -12.347 1.00 0.36 H new ATOM 0 H3' DA B 10 5.112 17.930 -11.150 1.00 0.41 H new ATOM 0 H2' DA B 10 2.843 17.599 -11.526 1.00 0.39 H new ATOM 0 H2'' DA B 10 3.179 17.175 -13.193 1.00 0.39 H new ATOM 0 HO3' DA B 10 5.255 18.633 -13.231 1.00 0.52 H new ATOM 0 H1' DA B 10 3.224 14.935 -12.767 1.00 0.31 H new ATOM 0 H8 DA B 10 2.384 15.965 -9.173 1.00 0.30 H new ATOM 0 H61 DA B 10 -3.015 13.070 -10.413 1.00 0.54 H new ATOM 0 H62 DA B 10 -2.106 13.887 -9.137 1.00 0.54 H new ATOM 0 H2 DA B 10 -0.524 13.081 -14.070 1.00 0.40 H new TER 636 DA B 10 HETATM 637 C1 DDA A 11 7.090 5.391 -19.081 1.00 0.32 C HETATM 638 C2 DDA A 11 5.964 5.523 -20.110 1.00 0.29 C HETATM 639 C3 DDA A 11 5.105 4.264 -20.166 1.00 0.32 C HETATM 640 C4 DDA A 11 6.038 3.093 -20.442 1.00 0.42 C HETATM 641 C5 DDA A 11 7.116 2.988 -19.356 1.00 0.49 C HETATM 642 C6 DDA A 11 8.088 1.824 -19.620 1.00 0.65 C HETATM 643 O5 DDA A 11 7.864 4.212 -19.340 1.00 0.43 O HETATM 644 O1 DDA A 11 7.912 6.554 -19.127 1.00 0.34 O HETATM 645 O3 DDA A 11 4.165 4.370 -21.219 1.00 0.36 O HETATM 646 O4 DDA A 11 5.306 1.889 -20.572 1.00 0.52 O HETATM 0 HO4 DDA A 11 4.421 2.083 -20.947 1.00 0.52 H new HETATM 0 HO3 DDA A 11 3.322 4.728 -20.870 1.00 0.36 H new HETATM 0 H63 DDA A 11 7.534 0.885 -19.642 1.00 0.65 H new HETATM 0 H62 DDA A 11 8.584 1.975 -20.579 1.00 0.65 H new HETATM 0 H61 DDA A 11 8.835 1.787 -18.827 1.00 0.65 H new HETATM 0 H5 DDA A 11 6.621 2.806 -18.402 1.00 0.49 H new HETATM 0 H4 DDA A 11 6.546 3.271 -21.390 1.00 0.42 H new HETATM 0 H3 DDA A 11 4.565 4.126 -19.229 1.00 0.32 H new HETATM 0 H22 DDA A 11 5.339 6.380 -19.858 1.00 0.29 H new HETATM 0 H21 DDA A 11 6.390 5.717 -21.094 1.00 0.29 H new HETATM 0 H1 DDA A 11 6.660 5.301 -18.083 1.00 0.32 H new HETATM 658 C1 DDA A 12 8.195 8.342 -15.764 1.00 0.20 C HETATM 659 C2 DDA A 12 7.560 7.659 -16.968 1.00 0.23 C HETATM 660 C3 DDA A 12 8.542 6.945 -17.897 1.00 0.27 C HETATM 661 C4 DDA A 12 9.591 7.974 -18.230 1.00 0.31 C HETATM 662 C5 DDA A 12 10.249 8.464 -16.938 1.00 0.28 C HETATM 663 C6 DDA A 12 11.517 9.253 -17.129 1.00 0.31 C HETATM 664 O5 DDA A 12 9.276 9.184 -16.179 1.00 0.24 O HETATM 665 O1 DDA A 12 7.203 9.031 -14.993 1.00 0.20 O HETATM 666 O4 DDA A 12 10.532 7.467 -19.160 1.00 0.40 O HETATM 0 HO4 DDA A 12 10.093 6.817 -19.748 1.00 0.40 H new HETATM 0 H63 DDA A 12 12.256 8.636 -17.641 1.00 0.31 H new HETATM 0 H62 DDA A 12 11.307 10.139 -17.728 1.00 0.31 H new HETATM 0 H61 DDA A 12 11.907 9.555 -16.157 1.00 0.31 H new HETATM 0 H5 DDA A 12 10.584 7.583 -16.391 1.00 0.28 H new HETATM 0 H4 DDA A 12 9.119 8.829 -18.715 1.00 0.31 H new HETATM 0 H22 DDA A 12 6.828 6.934 -16.612 1.00 0.23 H new HETATM 0 H21 DDA A 12 7.015 8.406 -17.545 1.00 0.23 H new HETATM 0 H1 DDA A 12 8.625 7.588 -15.105 1.00 0.20 H new HETATM 677 C1 DDA A 14A 11.253 7.616 -5.035 1.00 0.22 C HETATM 678 C2 DDA A 14A 11.096 6.720 -3.811 1.00 0.22 C HETATM 679 C3 DDA A 14A 11.048 7.577 -2.559 1.00 0.23 C HETATM 680 C4 DDA A 14A 12.202 8.584 -2.456 1.00 0.23 C HETATM 681 C5 DDA A 14A 12.193 9.400 -3.755 1.00 0.23 C HETATM 682 C6 DDA A 14A 13.238 10.482 -3.889 1.00 0.29 C HETATM 683 O5 DDA A 14A 12.351 8.507 -4.851 1.00 0.22 O HETATM 684 O1 DDA A 14A 11.418 6.858 -6.232 1.00 0.23 O HETATM 685 O3 DDA A 14A 11.012 6.711 -1.422 1.00 0.26 O HETATM 686 O4 DDA A 14A 12.016 9.428 -1.335 1.00 0.33 O HETATM 0 HO4 DDA A 14A 11.469 8.967 -0.665 1.00 0.33 H new HETATM 0 H63 DDA A 14A 13.115 11.208 -3.085 1.00 0.29 H new HETATM 0 H62 DDA A 14A 14.232 10.038 -3.828 1.00 0.29 H new HETATM 0 H61 DDA A 14A 13.123 10.982 -4.851 1.00 0.29 H new HETATM 0 H5 DDA A 14A 11.237 9.924 -3.740 1.00 0.23 H new HETATM 0 H4 DDA A 14A 13.158 8.076 -2.325 1.00 0.23 H new HETATM 0 H3 DDA A 14A 10.147 8.188 -2.604 1.00 0.23 H new HETATM 0 H22 DDA A 14A 10.184 6.128 -3.895 1.00 0.22 H new HETATM 0 H21 DDA A 14A 11.927 6.018 -3.752 1.00 0.22 H new HETATM 0 H1 DDA A 14A 10.336 8.195 -5.143 1.00 0.22 H new HETATM 697 C1 DDL A 14B 9.820 6.788 -0.646 1.00 0.24 C HETATM 698 C2 DDL A 14B 9.280 5.404 -0.340 1.00 0.24 C HETATM 699 C3 DDL A 14B 8.001 5.516 0.437 1.00 0.24 C HETATM 700 C4 DDL A 14B 8.200 6.371 1.669 1.00 0.24 C HETATM 701 C5 DDL A 14B 8.851 7.701 1.318 1.00 0.24 C HETATM 702 C6 DDL A 14B 9.159 8.511 2.580 1.00 0.30 C HETATM 703 O5 DDL A 14B 10.046 7.494 0.572 1.00 0.26 O HETATM 704 O3 DDL A 14B 7.612 4.173 0.767 1.00 0.28 O HETATM 705 O4 DDL A 14B 8.945 5.677 2.657 1.00 0.32 O HETATM 0 HO4 DDL A 14B 8.918 4.715 2.471 1.00 0.32 H new HETATM 0 H63 DDL A 14B 8.233 8.707 3.121 1.00 0.30 H new HETATM 0 H62 DDL A 14B 9.839 7.947 3.218 1.00 0.30 H new HETATM 0 H61 DDL A 14B 9.624 9.457 2.301 1.00 0.30 H new HETATM 0 H5 DDL A 14B 8.146 8.265 0.707 1.00 0.24 H new HETATM 0 H4 DDL A 14B 7.217 6.587 2.086 1.00 0.24 H new HETATM 0 H3 DDL A 14B 7.217 6.004 -0.142 1.00 0.24 H new HETATM 0 H22 DDL A 14B 9.106 4.859 -1.268 1.00 0.24 H new HETATM 0 H21 DDL A 14B 10.014 4.836 0.231 1.00 0.24 H new HETATM 716 C1 DDA B 15 0.579 9.573 4.680 1.00 0.28 C HETATM 717 C2 DDA B 15 -0.504 8.767 5.397 1.00 0.26 C HETATM 718 C3 DDA B 15 -1.859 9.455 5.288 1.00 0.32 C HETATM 719 C4 DDA B 15 -1.704 10.836 5.915 1.00 0.37 C HETATM 720 C5 DDA B 15 -0.613 11.617 5.166 1.00 0.41 C HETATM 721 C6 DDA B 15 -0.397 13.027 5.722 1.00 0.54 C HETATM 722 O5 DDA B 15 0.625 10.895 5.231 1.00 0.33 O HETATM 723 O1 DDA B 15 1.842 8.923 4.815 1.00 0.28 O HETATM 724 O3 DDA B 15 -2.849 8.709 5.971 1.00 0.36 O HETATM 725 O4 DDA B 15 -2.937 11.530 5.910 1.00 0.50 O HETATM 0 HO4 DDA B 15 -3.674 10.888 5.977 1.00 0.50 H new HETATM 0 HO3 DDA B 15 -3.335 8.148 5.331 1.00 0.36 H new HETATM 0 H63 DDA B 15 -1.324 13.595 5.643 1.00 0.54 H new HETATM 0 H62 DDA B 15 -0.099 12.964 6.768 1.00 0.54 H new HETATM 0 H61 DDA B 15 0.385 13.527 5.151 1.00 0.54 H new HETATM 0 H5 DDA B 15 -0.951 11.721 4.135 1.00 0.41 H new HETATM 0 H4 DDA B 15 -1.400 10.729 6.956 1.00 0.37 H new HETATM 0 H3 DDA B 15 -2.173 9.534 4.247 1.00 0.32 H new HETATM 0 H22 DDA B 15 -0.564 7.768 4.966 1.00 0.26 H new HETATM 0 H21 DDA B 15 -0.237 8.646 6.447 1.00 0.26 H new HETATM 0 H1 DDA B 15 0.345 9.641 3.618 1.00 0.28 H new HETATM 737 C1 DDA B 16 4.302 8.654 1.969 1.00 0.21 C HETATM 738 C2 DDA B 16 3.099 8.292 2.832 1.00 0.21 C HETATM 739 C3 DDA B 16 2.862 9.355 3.899 1.00 0.24 C HETATM 740 C4 DDA B 16 4.147 9.588 4.688 1.00 0.27 C HETATM 741 C5 DDA B 16 5.303 9.913 3.742 1.00 0.27 C HETATM 742 C6 DDA B 16 6.600 10.156 4.496 1.00 0.35 C HETATM 743 O5 DDA B 16 5.455 8.830 2.806 1.00 0.25 O HETATM 744 O1 DDA B 16 4.436 7.620 0.986 1.00 0.21 O HETATM 745 O4 DDA B 16 3.952 10.621 5.638 1.00 0.39 O HETATM 0 HO4 DDA B 16 3.015 10.628 5.926 1.00 0.39 H new HETATM 0 H63 DDA B 16 6.472 10.995 5.179 1.00 0.35 H new HETATM 0 H62 DDA B 16 6.864 9.263 5.063 1.00 0.35 H new HETATM 0 H61 DDA B 16 7.396 10.384 3.787 1.00 0.35 H new HETATM 0 H5 DDA B 16 5.071 10.835 3.210 1.00 0.27 H new HETATM 0 H4 DDA B 16 4.405 8.676 5.226 1.00 0.27 H new HETATM 0 H22 DDA B 16 2.212 8.194 2.206 1.00 0.21 H new HETATM 0 H21 DDA B 16 3.263 7.324 3.306 1.00 0.21 H new HETATM 0 H1 DDA B 16 4.180 9.602 1.444 1.00 0.21 H new HETATM 756 C1 DDA B 18A 9.736 12.285 -7.231 1.00 0.21 C HETATM 757 C2 DDA B 18A 9.202 12.926 -8.506 1.00 0.23 C HETATM 758 C3 DDA B 18A 9.870 12.269 -9.729 1.00 0.26 C HETATM 759 C4 DDA B 18A 11.379 12.394 -9.496 1.00 0.33 C HETATM 760 C5 DDA B 18A 11.834 11.754 -8.178 1.00 0.30 C HETATM 761 C6 DDA B 18A 13.297 11.865 -7.818 1.00 0.39 C HETATM 762 O5 DDA B 18A 11.139 12.407 -7.133 1.00 0.25 O HETATM 763 O1 DDA B 18A 9.103 12.721 -6.041 1.00 0.22 O HETATM 764 O3 DDA B 18A 9.449 12.962 -10.922 1.00 0.33 O HETATM 765 O4 DDA B 18A 12.138 11.879 -10.573 1.00 0.43 O HETATM 0 HO4 DDA B 18A 11.682 12.075 -11.418 1.00 0.43 H new HETATM 0 H63 DDA B 18A 13.899 11.389 -8.592 1.00 0.39 H new HETATM 0 H62 DDA B 18A 13.573 12.916 -7.738 1.00 0.39 H new HETATM 0 H61 DDA B 18A 13.475 11.369 -6.864 1.00 0.39 H new HETATM 0 H5 DDA B 18A 11.632 10.691 -8.310 1.00 0.30 H new HETATM 0 H4 DDA B 18A 11.568 13.465 -9.429 1.00 0.33 H new HETATM 0 H3 DDA B 18A 9.595 11.222 -9.855 1.00 0.26 H new HETATM 0 H22 DDA B 18A 8.120 12.806 -8.561 1.00 0.23 H new HETATM 0 H21 DDA B 18A 9.404 13.997 -8.499 1.00 0.23 H new HETATM 0 H1 DDA B 18A 9.481 11.229 -7.325 1.00 0.21 H new HETATM 776 C1 DDL B 18B 9.355 12.193 -12.136 1.00 0.30 C HETATM 777 C2 DDL B 18B 8.274 12.807 -13.040 1.00 0.33 C HETATM 778 C3 DDL B 18B 8.186 12.152 -14.406 1.00 0.33 C HETATM 779 C4 DDL B 18B 9.543 12.195 -15.036 1.00 0.32 C HETATM 780 C5 DDL B 18B 10.571 11.530 -14.133 1.00 0.27 C HETATM 781 C6 DDL B 18B 11.941 11.582 -14.792 1.00 0.32 C HETATM 782 O5 DDL B 18B 10.607 12.162 -12.840 1.00 0.30 O HETATM 783 O3 DDL B 18B 7.236 12.855 -15.225 1.00 0.39 O HETATM 784 O4 DDL B 18B 9.919 13.522 -15.370 1.00 0.38 O HETATM 0 HO4 DDL B 18B 9.123 14.033 -15.625 1.00 0.38 H new HETATM 0 H63 DDL B 18B 11.906 11.057 -15.747 1.00 0.32 H new HETATM 0 H62 DDL B 18B 12.225 12.621 -14.959 1.00 0.32 H new HETATM 0 H61 DDL B 18B 12.675 11.105 -14.143 1.00 0.32 H new HETATM 0 H5 DDL B 18B 10.285 10.489 -13.986 1.00 0.27 H new HETATM 0 H4 DDL B 18B 9.502 11.633 -15.969 1.00 0.32 H new HETATM 0 H3 DDL B 18B 7.855 11.118 -14.308 1.00 0.33 H new HETATM 0 H22 DDL B 18B 7.307 12.726 -12.544 1.00 0.33 H new HETATM 0 H21 DDL B 18B 8.479 13.870 -13.168 1.00 0.33 H new HETATM 795 C1 DDA B 21 -13.639 -4.455 -11.716 1.00 0.30 C HETATM 796 C2 DDA B 21 -13.339 -4.721 -13.193 1.00 0.29 C HETATM 797 C3 DDA B 21 -12.721 -3.503 -13.868 1.00 0.32 C HETATM 798 C4 DDA B 21 -13.672 -2.335 -13.650 1.00 0.40 C HETATM 799 C5 DDA B 21 -13.900 -2.091 -12.151 1.00 0.45 C HETATM 800 C6 DDA B 21 -14.876 -0.928 -11.898 1.00 0.62 C HETATM 801 O5 DDA B 21 -14.452 -3.284 -11.576 1.00 0.41 O HETATM 802 O1 DDA B 21 -14.290 -5.592 -11.153 1.00 0.32 O HETATM 803 O3 DDA B 21 -12.586 -3.740 -15.257 1.00 0.35 O HETATM 804 O4 DDA B 21 -13.199 -1.172 -14.303 1.00 0.49 O HETATM 0 HO4 DDA B 21 -12.758 -1.424 -15.141 1.00 0.49 H new HETATM 0 HO3 DDA B 21 -11.695 -4.105 -15.442 1.00 0.35 H new HETATM 0 H63 DDA B 21 -14.473 -0.014 -12.334 1.00 0.62 H new HETATM 0 H62 DDA B 21 -15.839 -1.155 -12.356 1.00 0.62 H new HETATM 0 H61 DDA B 21 -15.008 -0.791 -10.825 1.00 0.62 H new HETATM 0 H5 DDA B 21 -12.942 -1.833 -11.699 1.00 0.45 H new HETATM 0 H4 DDA B 21 -14.636 -2.588 -14.092 1.00 0.40 H new HETATM 0 H3 DDA B 21 -11.736 -3.293 -13.452 1.00 0.32 H new HETATM 0 H22 DDA B 21 -12.660 -5.569 -13.280 1.00 0.29 H new HETATM 0 H21 DDA B 21 -14.260 -4.995 -13.708 1.00 0.29 H new HETATM 0 H1 DDA B 21 -12.704 -4.282 -11.183 1.00 0.30 H new HETATM 816 C1 DDA B 22 -12.467 -7.037 -8.125 1.00 0.22 C HETATM 817 C2 DDA B 22 -12.691 -6.493 -9.529 1.00 0.24 C HETATM 818 C3 DDA B 22 -14.056 -5.841 -9.757 1.00 0.27 C HETATM 819 C4 DDA B 22 -15.065 -6.864 -9.304 1.00 0.32 C HETATM 820 C5 DDA B 22 -14.812 -7.205 -7.832 1.00 0.29 C HETATM 821 C6 DDA B 22 -15.920 -7.968 -7.157 1.00 0.34 C HETATM 822 O5 DDA B 22 -13.555 -7.879 -7.733 1.00 0.26 O HETATM 823 O1 DDA B 22 -11.188 -7.680 -8.029 1.00 0.23 O HETATM 824 O4 DDA B 22 -16.389 -6.420 -9.537 1.00 0.40 O HETATM 0 HO4 DDA B 22 -16.390 -5.758 -10.259 1.00 0.40 H new HETATM 0 H63 DDA B 22 -16.838 -7.381 -7.188 1.00 0.34 H new HETATM 0 H62 DDA B 22 -16.077 -8.915 -7.674 1.00 0.34 H new HETATM 0 H61 DDA B 22 -15.648 -8.162 -6.119 1.00 0.34 H new HETATM 0 H5 DDA B 22 -14.785 -6.265 -7.281 1.00 0.29 H new HETATM 0 H4 DDA B 22 -14.946 -7.775 -9.890 1.00 0.32 H new HETATM 0 H22 DDA B 22 -11.914 -5.761 -9.747 1.00 0.24 H new HETATM 0 H21 DDA B 22 -12.570 -7.308 -10.242 1.00 0.24 H new HETATM 0 H1 DDA B 22 -12.447 -6.209 -7.416 1.00 0.22 H new HETATM 835 C1 DDA B 24A -8.587 -5.182 2.196 1.00 0.20 C HETATM 836 C2 DDA B 24A -7.762 -4.177 2.993 1.00 0.21 C HETATM 837 C3 DDA B 24A -6.953 -4.910 4.049 1.00 0.21 C HETATM 838 C4 DDA B 24A -7.791 -5.867 4.912 1.00 0.22 C HETATM 839 C5 DDA B 24A -8.528 -6.803 3.948 1.00 0.23 C HETATM 840 C6 DDA B 24A -9.413 -7.858 4.567 1.00 0.29 C HETATM 841 O5 DDA B 24A -9.333 -6.016 3.080 1.00 0.21 O HETATM 842 O1 DDA B 24A -9.453 -4.539 1.264 1.00 0.23 O HETATM 843 O3 DDA B 24A -6.278 -3.942 4.853 1.00 0.22 O HETATM 844 O4 DDA B 24A -6.949 -6.604 5.780 1.00 0.32 O HETATM 0 HO4 DDA B 24A -6.107 -6.120 5.908 1.00 0.32 H new HETATM 0 H63 DDA B 24A -8.814 -8.506 5.207 1.00 0.29 H new HETATM 0 H62 DDA B 24A -10.189 -7.378 5.163 1.00 0.29 H new HETATM 0 H61 DDA B 24A -9.876 -8.453 3.779 1.00 0.29 H new HETATM 0 H5 DDA B 24A -7.735 -7.353 3.442 1.00 0.23 H new HETATM 0 H4 DDA B 24A -8.500 -5.320 5.533 1.00 0.22 H new HETATM 0 H3 DDA B 24A -6.233 -5.550 3.538 1.00 0.21 H new HETATM 0 H22 DDA B 24A -7.097 -3.627 2.327 1.00 0.21 H new HETATM 0 H21 DDA B 24A -8.418 -3.445 3.465 1.00 0.21 H new HETATM 0 H1 DDA B 24A -7.895 -5.798 1.622 1.00 0.20 H new HETATM 855 C1 DDL B 24B -4.857 -3.981 4.774 1.00 0.23 C HETATM 856 C2 DDL B 24B -4.284 -2.592 4.565 1.00 0.23 C HETATM 857 C3 DDL B 24B -2.790 -2.668 4.438 1.00 0.23 C HETATM 858 C4 DDL B 24B -2.195 -3.393 5.624 1.00 0.26 C HETATM 859 C5 DDL B 24B -2.884 -4.729 5.858 1.00 0.27 C HETATM 860 C6 DDL B 24B -2.358 -5.403 7.128 1.00 0.33 C HETATM 861 O5 DDL B 24B -4.294 -4.558 5.949 1.00 0.26 O HETATM 862 O3 DDL B 24B -2.325 -1.313 4.342 1.00 0.27 O HETATM 863 O4 DDL B 24B -2.231 -2.584 6.788 1.00 0.34 O HETATM 0 HO4 DDL B 24B -2.286 -1.640 6.529 1.00 0.34 H new HETATM 0 H63 DDL B 24B -1.286 -5.575 7.031 1.00 0.33 H new HETATM 0 H62 DDL B 24B -2.546 -4.758 7.987 1.00 0.33 H new HETATM 0 H61 DDL B 24B -2.867 -6.356 7.272 1.00 0.33 H new HETATM 0 H5 DDL B 24B -2.660 -5.372 5.006 1.00 0.27 H new HETATM 0 H4 DDL B 24B -1.149 -3.599 5.396 1.00 0.26 H new HETATM 0 H3 DDL B 24B -2.485 -3.233 3.557 1.00 0.23 H new HETATM 0 H22 DDL B 24B -4.711 -2.144 3.668 1.00 0.23 H new HETATM 0 H21 DDL B 24B -4.554 -1.948 5.402 1.00 0.23 H new HETATM 874 C1 DDA A 25 5.825 -6.529 3.820 1.00 0.27 C HETATM 875 C2 DDA A 25 7.095 -5.693 3.672 1.00 0.30 C HETATM 876 C3 DDA A 25 8.143 -6.431 2.848 1.00 0.33 C HETATM 877 C4 DDA A 25 8.434 -7.739 3.575 1.00 0.39 C HETATM 878 C5 DDA A 25 7.135 -8.554 3.698 1.00 0.42 C HETATM 879 C6 DDA A 25 7.337 -9.897 4.406 1.00 0.56 C HETATM 880 O5 DDA A 25 6.156 -7.790 4.415 1.00 0.35 O HETATM 881 O1 DDA A 25 4.867 -5.830 4.614 1.00 0.29 O HETATM 882 O3 DDA A 25 9.321 -5.655 2.735 1.00 0.33 O HETATM 883 O4 DDA A 25 9.445 -8.470 2.905 1.00 0.48 O HETATM 0 HO4 DDA A 25 10.010 -7.854 2.394 1.00 0.48 H new HETATM 0 HO3 DDA A 25 9.307 -5.161 1.889 1.00 0.33 H new HETATM 0 H63 DDA A 25 8.054 -10.499 3.847 1.00 0.56 H new HETATM 0 H62 DDA A 25 7.716 -9.724 5.413 1.00 0.56 H new HETATM 0 H61 DDA A 25 6.385 -10.425 4.462 1.00 0.56 H new HETATM 0 H5 DDA A 25 6.798 -8.767 2.684 1.00 0.42 H new HETATM 0 H4 DDA A 25 8.804 -7.522 4.577 1.00 0.39 H new HETATM 0 H3 DDA A 25 7.781 -6.619 1.837 1.00 0.33 H new HETATM 0 H22 DDA A 25 6.855 -4.743 3.195 1.00 0.30 H new HETATM 0 H21 DDA A 25 7.499 -5.462 4.658 1.00 0.30 H new HETATM 0 H1 DDA A 25 5.386 -6.705 2.838 1.00 0.27 H new HETATM 895 C1 DDA A 26 1.192 -5.759 3.772 1.00 0.22 C HETATM 896 C2 DDA A 26 2.660 -5.354 3.713 1.00 0.23 C HETATM 897 C3 DDA A 26 3.518 -6.316 4.528 1.00 0.25 C HETATM 898 C4 DDA A 26 2.960 -6.431 5.943 1.00 0.29 C HETATM 899 C5 DDA A 26 1.478 -6.808 5.904 1.00 0.29 C HETATM 900 C6 DDA A 26 0.888 -6.936 7.300 1.00 0.38 C HETATM 901 O5 DDA A 26 0.766 -5.816 5.141 1.00 0.26 O HETATM 902 O1 DDA A 26 0.467 -4.821 2.965 1.00 0.22 O HETATM 903 O4 DDA A 26 3.712 -7.373 6.687 1.00 0.38 O HETATM 0 HO4 DDA A 26 4.644 -7.359 6.385 1.00 0.38 H new HETATM 0 H63 DDA A 26 1.422 -7.710 7.851 1.00 0.38 H new HETATM 0 H62 DDA A 26 0.984 -5.985 7.824 1.00 0.38 H new HETATM 0 H61 DDA A 26 -0.166 -7.205 7.226 1.00 0.38 H new HETATM 0 H5 DDA A 26 1.379 -7.784 5.430 1.00 0.29 H new HETATM 0 H4 DDA A 26 3.043 -5.464 6.438 1.00 0.29 H new HETATM 0 H22 DDA A 26 2.999 -5.345 2.677 1.00 0.23 H new HETATM 0 H21 DDA A 26 2.778 -4.340 4.095 1.00 0.23 H new HETATM 0 H1 DDA A 26 1.010 -6.757 3.372 1.00 0.22 H new HETATM 914 C1 DDA A 28A -8.521 -10.085 -0.009 1.00 0.22 C HETATM 915 C2 DDA A 28A -8.828 -10.864 -1.283 1.00 0.23 C HETATM 916 C3 DDA A 28A -10.111 -10.307 -1.928 1.00 0.26 C HETATM 917 C4 DDA A 28A -11.184 -10.359 -0.835 1.00 0.33 C HETATM 918 C5 DDA A 28A -10.787 -9.582 0.427 1.00 0.30 C HETATM 919 C6 DDA A 28A -11.746 -9.612 1.594 1.00 0.39 C HETATM 920 O5 DDA A 28A -9.587 -10.151 0.913 1.00 0.25 O HETATM 921 O1 DDA A 28A -7.292 -10.426 0.609 1.00 0.21 O HETATM 922 O3 DDA A 28A -10.458 -11.125 -3.065 1.00 0.32 O HETATM 923 O4 DDA A 28A -12.450 -9.928 -1.296 1.00 0.45 O HETATM 0 HO4 DDA A 28A -12.577 -10.219 -2.223 1.00 0.45 H new HETATM 0 H63 DDA A 28A -12.705 -9.194 1.288 1.00 0.39 H new HETATM 0 H62 DDA A 28A -11.888 -10.642 1.922 1.00 0.39 H new HETATM 0 H61 DDA A 28A -11.338 -9.022 2.415 1.00 0.39 H new HETATM 0 H5 DDA A 28A -10.737 -8.544 0.099 1.00 0.30 H new HETATM 0 H4 DDA A 28A -11.264 -11.412 -0.565 1.00 0.33 H new HETATM 0 H3 DDA A 28A -9.997 -9.286 -2.293 1.00 0.26 H new HETATM 0 H22 DDA A 28A -7.994 -10.785 -1.980 1.00 0.23 H new HETATM 0 H21 DDA A 28A -8.953 -11.922 -1.054 1.00 0.23 H new HETATM 0 H1 DDA A 28A -8.405 -9.052 -0.337 1.00 0.22 H new HETATM 934 C1 DDL A 28B -11.126 -10.480 -4.164 1.00 0.29 C HETATM 935 C2 DDL A 28B -10.773 -11.213 -5.469 1.00 0.33 C HETATM 936 C3 DDL A 28B -11.534 -10.695 -6.676 1.00 0.33 C HETATM 937 C4 DDL A 28B -12.997 -10.756 -6.371 1.00 0.31 C HETATM 938 C5 DDL A 28B -13.310 -9.974 -5.103 1.00 0.26 C HETATM 939 C6 DDL A 28B -14.801 -10.047 -4.814 1.00 0.33 C HETATM 940 O5 DDL A 28B -12.552 -10.477 -3.989 1.00 0.28 O HETATM 941 O3 DDL A 28B -11.232 -11.504 -7.826 1.00 0.39 O HETATM 942 O4 DDL A 28B -13.455 -12.097 -6.286 1.00 0.38 O HETATM 0 HO4 DDL A 28B -12.868 -12.677 -6.815 1.00 0.38 H new HETATM 0 H63 DDL A 28B -15.355 -9.619 -5.649 1.00 0.33 H new HETATM 0 H62 DDL A 28B -15.095 -11.088 -4.679 1.00 0.33 H new HETATM 0 H61 DDL A 28B -15.023 -9.487 -3.906 1.00 0.33 H new HETATM 0 H5 DDL A 28B -13.027 -8.932 -5.253 1.00 0.26 H new HETATM 0 H4 DDL A 28B -13.536 -10.289 -7.196 1.00 0.31 H new HETATM 0 H3 DDL A 28B -11.244 -9.667 -6.893 1.00 0.33 H new HETATM 0 H22 DDL A 28B -9.703 -11.115 -5.654 1.00 0.33 H new HETATM 0 H21 DDL A 28B -10.980 -12.276 -5.347 1.00 0.33 H new HETATM 953 MG MG A 19 6.846 8.500 -6.853 1.00 0.20 MG HETATM 954 MG MG B 29 -6.091 -6.377 -1.788 1.00 0.18 MG HETATM 955 C1 CRH A 13 9.907 7.933 -7.792 1.00 0.18 C HETATM 956 C2 CRH A 13 11.369 7.667 -7.409 1.00 0.22 C HETATM 957 C3 CRH A 13 12.208 7.165 -8.610 1.00 0.20 C HETATM 958 C4 CRH A 13 12.017 8.135 -9.740 1.00 0.21 C HETATM 959 C5 CRH A 13 8.694 8.768 -13.126 1.00 0.18 C HETATM 960 C6 CRH A 13 7.419 8.976 -13.619 1.00 0.19 C HETATM 961 C7 CRH A 13 6.368 9.068 -12.719 1.00 0.20 C HETATM 962 C8 CRH A 13 6.615 8.928 -11.357 1.00 0.20 C HETATM 963 C9 CRH A 13 8.220 8.500 -9.514 1.00 0.20 C HETATM 964 C10 CRH A 13 10.241 8.423 -11.402 1.00 0.17 C HETATM 965 C11 CRH A 13 8.945 8.643 -11.790 1.00 0.18 C HETATM 966 C12 CRH A 13 7.909 8.699 -10.865 1.00 0.19 C HETATM 967 C13 CRH A 13 9.548 8.256 -9.100 1.00 0.18 C HETATM 968 C14 CRH A 13 10.544 8.234 -10.082 1.00 0.17 C HETATM 969 C15 CRH A 13 5.031 9.565 -13.242 1.00 0.25 C HETATM 970 O1 CRH A 13 9.037 7.850 -6.924 1.00 0.22 O HETATM 971 O8 CRH A 13 5.534 9.030 -10.514 1.00 0.24 O HETATM 972 O9 CRH A 13 7.171 8.526 -8.619 1.00 0.23 O HETATM 973 C1' CRH A 13 13.677 7.003 -8.196 1.00 0.26 C HETATM 974 C2' CRH A 13 14.520 6.373 -9.312 1.00 0.26 C HETATM 975 C3' CRH A 13 15.259 7.246 -10.337 1.00 0.35 C HETATM 976 C4' CRH A 13 16.769 6.943 -10.421 1.00 0.45 C HETATM 977 C1M CRH A 13 15.258 7.919 -6.584 1.00 0.57 C HETATM 978 C4M CRH A 13 17.107 5.551 -10.934 1.00 0.46 C HETATM 979 O1' CRH A 13 14.288 8.149 -7.600 1.00 0.40 O HETATM 980 O2' CRH A 13 14.568 5.147 -9.400 1.00 0.35 O HETATM 981 O3' CRH A 13 15.218 8.649 -10.049 1.00 0.46 O HETATM 982 O4' CRH A 13 17.267 7.791 -11.449 1.00 0.61 O HETATM 0 H4'3 CRH A 13 16.671 4.803 -10.272 1.00 0.46 H new HETATM 0 H4'2 CRH A 13 16.703 5.425 -11.939 1.00 0.46 H new HETATM 0 H4'1 CRH A 13 18.189 5.426 -10.960 1.00 0.46 H new HETATM 0 H153 CRH A 13 5.149 10.570 -13.646 1.00 0.25 H new HETATM 0 H152 CRH A 13 4.677 8.897 -14.027 1.00 0.25 H new HETATM 0 H151 CRH A 13 4.306 9.584 -12.428 1.00 0.25 H new HETATM 0 H1'3 CRH A 13 14.799 7.374 -5.759 1.00 0.57 H new HETATM 0 H1'2 CRH A 13 16.081 7.332 -6.993 1.00 0.57 H new HETATM 0 H1'1 CRH A 13 15.638 8.874 -6.221 1.00 0.57 H new HETATM 0 HO8 CRH A 13 5.777 8.690 -9.627 1.00 0.24 H new HETATM 0 HO4 CRH A 13 16.778 8.640 -11.438 1.00 0.61 H new HETATM 0 HO3 CRH A 13 15.104 8.782 -9.085 1.00 0.46 H new HETATM 0 H5 CRH A 13 9.526 8.702 -13.827 1.00 0.18 H new HETATM 0 H42 CRH A 13 12.402 9.115 -9.460 1.00 0.21 H new HETATM 0 H41 CRH A 13 12.582 7.808 -10.613 1.00 0.21 H new HETATM 0 H4' CRH A 13 17.175 7.065 -9.417 1.00 0.45 H new HETATM 0 H3' CRH A 13 14.728 7.004 -11.258 1.00 0.35 H new HETATM 0 H3 CRH A 13 11.880 6.180 -8.943 1.00 0.20 H new HETATM 0 H22 CRH A 13 11.812 8.582 -7.016 1.00 0.22 H new HETATM 0 H10 CRH A 13 11.034 8.399 -12.149 1.00 0.17 H new HETATM 0 H1' CRH A 13 13.648 6.294 -7.368 1.00 0.26 H new HETATM 1004 C1 MDA A 29C 6.230 3.996 0.964 1.00 0.23 C HETATM 1005 C2 MDA A 29C 5.752 2.650 0.429 1.00 0.20 C HETATM 1006 C3 MDA A 29C 4.230 2.650 0.384 1.00 0.17 C HETATM 1007 C4 MDA A 29C 3.783 2.882 1.855 1.00 0.18 C HETATM 1008 C5 MDA A 29C 4.364 4.217 2.407 1.00 0.22 C HETATM 1009 C6 MDA A 29C 4.011 4.596 3.845 1.00 0.25 C HETATM 1010 C3' MDA A 29C 3.742 1.362 -0.306 1.00 0.19 C HETATM 1011 O5 MDA A 29C 5.791 4.199 2.298 1.00 0.24 O HETATM 1012 O3 MDA A 29C 3.783 3.723 -0.423 1.00 0.18 O HETATM 1013 O4 MDA A 29C 2.369 2.892 1.959 1.00 0.20 O HETATM 0 H3'3 MDA A 29C 4.137 1.321 -1.321 1.00 0.19 H new HETATM 0 H3'2 MDA A 29C 4.091 0.495 0.254 1.00 0.19 H new HETATM 0 H3'1 MDA A 29C 2.653 1.358 -0.340 1.00 0.19 H new HETATM 0 HO4 MDA A 29C 2.110 2.877 2.904 1.00 0.20 H new HETATM 0 HO3 MDA A 29C 4.040 3.561 -1.355 1.00 0.18 H new HETATM 0 H63 MDA A 29C 2.929 4.690 3.941 1.00 0.25 H new HETATM 0 H62 MDA A 29C 4.370 3.822 4.524 1.00 0.25 H new HETATM 0 H61 MDA A 29C 4.482 5.546 4.097 1.00 0.25 H new HETATM 0 H5 MDA A 29C 3.886 4.974 1.786 1.00 0.22 H new HETATM 0 H4 MDA A 29C 4.171 2.057 2.453 1.00 0.18 H new HETATM 0 H22 MDA A 29C 6.159 2.474 -0.567 1.00 0.20 H new HETATM 0 H21 MDA A 29C 6.110 1.842 1.067 1.00 0.20 H new HETATM 1027 C1 CRH B 17 8.422 10.699 -4.938 1.00 0.21 C HETATM 1028 C2 CRH B 17 9.378 11.899 -4.901 1.00 0.20 C HETATM 1029 C3 CRH B 17 9.239 12.665 -3.571 1.00 0.22 C HETATM 1030 C4 CRH B 17 9.338 11.727 -2.411 1.00 0.21 C HETATM 1031 C5 CRH B 17 6.011 8.952 -0.231 1.00 0.18 C HETATM 1032 C6 CRH B 17 5.026 7.982 -0.213 1.00 0.18 C HETATM 1033 C7 CRH B 17 4.679 7.357 -1.405 1.00 0.17 C HETATM 1034 C8 CRH B 17 5.321 7.691 -2.585 1.00 0.16 C HETATM 1035 C9 CRH B 17 6.931 9.116 -3.789 1.00 0.17 C HETATM 1036 C10 CRH B 17 7.577 10.313 -1.378 1.00 0.17 C HETATM 1037 C11 CRH B 17 6.645 9.302 -1.406 1.00 0.17 C HETATM 1038 C12 CRH B 17 6.311 8.681 -2.612 1.00 0.16 C HETATM 1039 C13 CRH B 17 7.878 10.158 -3.772 1.00 0.19 C HETATM 1040 C14 CRH B 17 8.191 10.734 -2.535 1.00 0.19 C HETATM 1041 C15 CRH B 17 3.435 6.491 -1.500 1.00 0.16 C HETATM 1042 O1 CRH B 17 8.093 10.236 -6.030 1.00 0.25 O HETATM 1043 O8 CRH B 17 4.969 6.939 -3.691 1.00 0.20 O HETATM 1044 O9 CRH B 17 6.562 8.489 -4.962 1.00 0.21 O HETATM 1045 C1' CRH B 17 10.180 13.861 -3.610 1.00 0.26 C HETATM 1046 C2' CRH B 17 10.086 14.758 -2.367 1.00 0.26 C HETATM 1047 C3' CRH B 17 9.164 15.974 -2.415 1.00 0.34 C HETATM 1048 C4' CRH B 17 7.750 15.493 -2.758 1.00 0.33 C HETATM 1049 C1M CRH B 17 12.011 14.740 -4.810 1.00 0.41 C HETATM 1050 C4M CRH B 17 7.105 14.601 -1.693 1.00 0.34 C HETATM 1051 O1' CRH B 17 11.537 13.675 -3.993 1.00 0.35 O HETATM 1052 O2' CRH B 17 10.719 14.496 -1.343 1.00 0.28 O HETATM 1053 O3' CRH B 17 9.503 16.859 -3.483 1.00 0.41 O HETATM 1054 O4' CRH B 17 6.884 16.623 -2.790 1.00 0.41 O HETATM 0 H4'3 CRH B 17 7.715 13.710 -1.547 1.00 0.34 H new HETATM 0 H4'2 CRH B 17 7.033 15.150 -0.754 1.00 0.34 H new HETATM 0 H4'1 CRH B 17 6.107 14.308 -2.019 1.00 0.34 H new HETATM 0 H153 CRH B 17 3.512 5.664 -0.794 1.00 0.16 H new HETATM 0 H152 CRH B 17 2.556 7.090 -1.263 1.00 0.16 H new HETATM 0 H151 CRH B 17 3.343 6.096 -2.512 1.00 0.16 H new HETATM 0 H1'3 CRH B 17 11.407 14.800 -5.715 1.00 0.41 H new HETATM 0 H1'2 CRH B 17 11.938 15.679 -4.262 1.00 0.41 H new HETATM 0 H1'1 CRH B 17 13.051 14.557 -5.079 1.00 0.41 H new HETATM 0 HO8 CRH B 17 5.364 7.336 -4.495 1.00 0.20 H new HETATM 0 HO4 CRH B 17 5.956 16.322 -2.884 1.00 0.41 H new HETATM 0 HO3 CRH B 17 8.692 17.301 -3.812 1.00 0.41 H new HETATM 0 H5 CRH B 17 6.291 9.448 0.698 1.00 0.18 H new HETATM 0 H42 CRH B 17 10.297 11.209 -2.416 1.00 0.21 H new HETATM 0 H41 CRH B 17 9.275 12.272 -1.469 1.00 0.21 H new HETATM 0 H4' CRH B 17 7.861 14.945 -3.694 1.00 0.33 H new HETATM 0 H3' CRH B 17 9.247 16.477 -1.451 1.00 0.34 H new HETATM 0 H3 CRH B 17 8.249 13.098 -3.427 1.00 0.22 H new HETATM 0 H22 CRH B 17 10.405 11.556 -5.023 1.00 0.20 H new HETATM 0 H10 CRH B 17 7.832 10.786 -0.429 1.00 0.17 H new HETATM 0 H1' CRH B 17 9.759 14.370 -4.477 1.00 0.26 H new HETATM 1076 C1 MDA A 18C 6.150 12.057 -15.679 1.00 0.36 C HETATM 1077 C2 MDA A 18C 4.832 12.819 -15.609 1.00 0.37 C HETATM 1078 C3 MDA A 18C 3.651 11.961 -16.029 1.00 0.35 C HETATM 1079 C4 MDA A 18C 3.961 11.297 -17.363 1.00 0.39 C HETATM 1080 C5 MDA A 18C 5.330 10.592 -17.351 1.00 0.37 C HETATM 1081 C6 MDA A 18C 5.584 10.039 -18.743 1.00 0.44 C HETATM 1082 C3' MDA A 18C 2.421 12.860 -16.185 1.00 0.45 C HETATM 1083 O5 MDA A 18C 6.341 11.538 -16.996 1.00 0.39 O HETATM 1084 O3 MDA A 18C 3.465 10.983 -15.043 1.00 0.32 O HETATM 1085 O4 MDA A 18C 2.920 10.406 -17.747 1.00 0.43 O HETATM 0 H3'3 MDA A 18C 2.204 13.348 -15.235 1.00 0.45 H new HETATM 0 H3'2 MDA A 18C 2.617 13.616 -16.945 1.00 0.45 H new HETATM 0 H3'1 MDA A 18C 1.565 12.256 -16.487 1.00 0.45 H new HETATM 0 HO4 MDA A 18C 2.503 10.026 -16.946 1.00 0.43 H new HETATM 0 HO3 MDA A 18C 2.557 11.051 -14.682 1.00 0.32 H new HETATM 0 H63 MDA A 18C 4.798 9.330 -19.002 1.00 0.44 H new HETATM 0 H62 MDA A 18C 5.588 10.856 -19.464 1.00 0.44 H new HETATM 0 H61 MDA A 18C 6.549 9.533 -18.763 1.00 0.44 H new HETATM 0 H5 MDA A 18C 5.346 9.780 -16.625 1.00 0.37 H new HETATM 0 H4 MDA A 18C 4.017 12.087 -18.112 1.00 0.39 H new HETATM 0 H22 MDA A 18C 4.675 13.178 -14.592 1.00 0.37 H new HETATM 0 H21 MDA A 18C 4.888 13.698 -16.252 1.00 0.37 H new HETATM 1099 C1 CRH B 23 -9.128 -5.806 -0.776 1.00 0.18 C HETATM 1100 C2 CRH B 23 -10.086 -5.458 0.371 1.00 0.18 C HETATM 1101 C3 CRH B 23 -11.489 -5.048 -0.139 1.00 0.20 C HETATM 1102 C4 CRH B 23 -11.975 -6.128 -1.061 1.00 0.20 C HETATM 1103 C5 CRH B 23 -11.290 -7.189 -5.678 1.00 0.18 C HETATM 1104 C6 CRH B 23 -10.550 -7.485 -6.808 1.00 0.19 C HETATM 1105 C7 CRH B 23 -9.168 -7.523 -6.703 1.00 0.20 C HETATM 1106 C8 CRH B 23 -8.564 -7.244 -5.482 1.00 0.19 C HETATM 1107 C9 CRH B 23 -8.775 -6.590 -3.099 1.00 0.20 C HETATM 1108 C10 CRH B 23 -11.522 -6.631 -3.416 1.00 0.17 C HETATM 1109 C11 CRH B 23 -10.704 -6.929 -4.473 1.00 0.17 C HETATM 1110 C12 CRH B 23 -9.320 -6.929 -4.343 1.00 0.18 C HETATM 1111 C13 CRH B 23 -9.606 -6.266 -2.003 1.00 0.19 C HETATM 1112 C14 CRH B 23 -10.990 -6.306 -2.199 1.00 0.17 C HETATM 1113 C15 CRH B 23 -8.386 -8.111 -7.867 1.00 0.25 C HETATM 1114 O1 CRH B 23 -7.916 -5.669 -0.605 1.00 0.22 O HETATM 1115 O8 CRH B 23 -7.191 -7.299 -5.439 1.00 0.24 O HETATM 1116 O9 CRH B 23 -7.400 -6.564 -3.002 1.00 0.27 O HETATM 1117 C1' CRH B 23 -12.430 -4.800 1.048 1.00 0.27 C HETATM 1118 C2' CRH B 23 -13.790 -4.254 0.595 1.00 0.25 C HETATM 1119 C3' CRH B 23 -14.966 -5.198 0.298 1.00 0.34 C HETATM 1120 C4' CRH B 23 -16.241 -4.857 1.096 1.00 0.46 C HETATM 1121 C1M CRH B 23 -12.717 -5.505 3.362 1.00 0.59 C HETATM 1122 C4M CRH B 23 -16.860 -3.511 0.754 1.00 0.46 C HETATM 1123 O1' CRH B 23 -12.531 -5.863 1.997 1.00 0.42 O HETATM 1124 O2' CRH B 23 -13.921 -3.041 0.436 1.00 0.35 O HETATM 1125 O3' CRH B 23 -14.718 -6.568 0.639 1.00 0.45 O HETATM 1126 O4' CRH B 23 -17.222 -5.784 0.653 1.00 0.62 O HETATM 0 H4'3 CRH B 23 -16.140 -2.718 0.955 1.00 0.46 H new HETATM 0 H4'2 CRH B 23 -17.134 -3.494 -0.301 1.00 0.46 H new HETATM 0 H4'1 CRH B 23 -17.751 -3.355 1.362 1.00 0.46 H new HETATM 0 H153 CRH B 23 -8.689 -9.146 -8.023 1.00 0.25 H new HETATM 0 H152 CRH B 23 -8.588 -7.534 -8.769 1.00 0.25 H new HETATM 0 H151 CRH B 23 -7.320 -8.075 -7.644 1.00 0.25 H new HETATM 0 H1'3 CRH B 23 -11.876 -4.897 3.697 1.00 0.59 H new HETATM 0 H1'2 CRH B 23 -13.640 -4.935 3.466 1.00 0.59 H new HETATM 0 H1'1 CRH B 23 -12.777 -6.408 3.970 1.00 0.59 H new HETATM 0 HO8 CRH B 23 -6.881 -7.031 -4.549 1.00 0.24 H new HETATM 0 HO4 CRH B 23 -16.812 -6.668 0.546 1.00 0.62 H new HETATM 0 HO3 CRH B 23 -14.005 -6.614 1.309 1.00 0.45 H new HETATM 0 H5 CRH B 23 -12.377 -7.162 -5.752 1.00 0.18 H new HETATM 0 H42 CRH B 23 -12.087 -7.064 -0.514 1.00 0.20 H new HETATM 0 H41 CRH B 23 -12.958 -5.869 -1.455 1.00 0.20 H new HETATM 0 H4' CRH B 23 -15.970 -4.869 2.152 1.00 0.46 H new HETATM 0 H3' CRH B 23 -15.092 -5.062 -0.776 1.00 0.34 H new HETATM 0 H3 CRH B 23 -11.454 -4.111 -0.695 1.00 0.20 H new HETATM 0 H22 CRH B 23 -10.180 -6.317 1.036 1.00 0.18 H new HETATM 0 H10 CRH B 23 -12.604 -6.653 -3.546 1.00 0.17 H new HETATM 0 H1' CRH B 23 -11.939 -4.016 1.625 1.00 0.27 H new HETATM 1148 C1 MDA B 30C -1.102 -1.161 3.663 1.00 0.22 C HETATM 1149 C2 MDA B 30C -1.080 0.110 2.823 1.00 0.19 C HETATM 1150 C3 MDA B 30C 0.118 0.058 1.883 1.00 0.18 C HETATM 1151 C4 MDA B 30C 1.360 -0.046 2.815 1.00 0.19 C HETATM 1152 C5 MDA B 30C 1.262 -1.301 3.731 1.00 0.21 C HETATM 1153 C6 MDA B 30C 2.410 -1.551 4.707 1.00 0.26 C HETATM 1154 C3' MDA B 30C 0.061 1.258 0.917 1.00 0.21 C HETATM 1155 O5 MDA B 30C 0.048 -1.248 4.489 1.00 0.26 O HETATM 1156 O3 MDA B 30C 0.034 -1.101 1.076 1.00 0.20 O HETATM 1157 O4 MDA B 30C 2.559 -0.090 2.063 1.00 0.22 O HETATM 0 H3'3 MDA B 30C -0.860 1.214 0.336 1.00 0.21 H new HETATM 0 H3'2 MDA B 30C 0.086 2.186 1.488 1.00 0.21 H new HETATM 0 H3'1 MDA B 30C 0.917 1.224 0.243 1.00 0.21 H new HETATM 0 HO4 MDA B 30C 3.326 0.007 2.665 1.00 0.22 H new HETATM 0 HO3 MDA B 30C -0.730 -1.021 0.467 1.00 0.20 H new HETATM 0 H63 MDA B 30C 3.340 -1.671 4.152 1.00 0.26 H new HETATM 0 H62 MDA B 30C 2.500 -0.704 5.387 1.00 0.26 H new HETATM 0 H61 MDA B 30C 2.210 -2.456 5.280 1.00 0.26 H new HETATM 0 H5 MDA B 30C 1.302 -2.130 3.024 1.00 0.21 H new HETATM 0 H4 MDA B 30C 1.376 0.846 3.442 1.00 0.19 H new HETATM 0 H22 MDA B 30C -2.004 0.201 2.252 1.00 0.19 H new HETATM 0 H21 MDA B 30C -1.016 0.987 3.467 1.00 0.19 H new HETATM 1171 C1 CRH A 27 -6.154 -8.330 0.890 1.00 0.19 C HETATM 1172 C2 CRH A 27 -6.863 -9.490 1.604 1.00 0.22 C HETATM 1173 C3 CRH A 27 -5.939 -10.127 2.658 1.00 0.21 C HETATM 1174 C4 CRH A 27 -5.359 -9.079 3.553 1.00 0.20 C HETATM 1175 C5 CRH A 27 -1.478 -6.213 3.055 1.00 0.20 C HETATM 1176 C6 CRH A 27 -0.706 -5.279 2.392 1.00 0.20 C HETATM 1177 C7 CRH A 27 -1.154 -4.782 1.173 1.00 0.19 C HETATM 1178 C8 CRH A 27 -2.359 -5.208 0.644 1.00 0.18 C HETATM 1179 C9 CRH A 27 -4.323 -6.692 0.773 1.00 0.19 C HETATM 1180 C10 CRH A 27 -3.376 -7.628 3.199 1.00 0.18 C HETATM 1181 C11 CRH A 27 -2.674 -6.655 2.526 1.00 0.19 C HETATM 1182 C12 CRH A 27 -3.140 -6.165 1.304 1.00 0.18 C HETATM 1183 C13 CRH A 27 -5.041 -7.696 1.448 1.00 0.18 C HETATM 1184 C14 CRH A 27 -4.543 -8.140 2.679 1.00 0.18 C HETATM 1185 C15 CRH A 27 -0.237 -3.969 0.275 1.00 0.18 C HETATM 1186 O1 CRH A 27 -6.552 -7.985 -0.222 1.00 0.23 O HETATM 1187 O8 CRH A 27 -2.758 -4.579 -0.522 1.00 0.23 O HETATM 1188 O9 CRH A 27 -4.742 -6.192 -0.444 1.00 0.22 O HETATM 1189 C1' CRH A 27 -6.681 -11.291 3.300 1.00 0.27 C HETATM 1190 C2' CRH A 27 -5.839 -12.067 4.325 1.00 0.28 C HETATM 1191 C3' CRH A 27 -5.087 -13.309 3.857 1.00 0.34 C HETATM 1192 C4' CRH A 27 -4.168 -12.909 2.697 1.00 0.34 C HETATM 1193 C1M CRH A 27 -8.838 -12.223 3.511 1.00 0.38 C HETATM 1194 C4M CRH A 27 -3.046 -11.940 3.081 1.00 0.33 C HETATM 1195 O1' CRH A 27 -8.007 -11.101 3.781 1.00 0.31 O HETATM 1196 O2' CRH A 27 -5.749 -11.685 5.494 1.00 0.36 O HETATM 1197 O3' CRH A 27 -5.965 -14.283 3.290 1.00 0.40 O HETATM 1198 O4' CRH A 27 -3.455 -14.064 2.268 1.00 0.41 O HETATM 0 H4'3 CRH A 27 -3.479 -11.020 3.474 1.00 0.33 H new HETATM 0 H4'2 CRH A 27 -2.414 -12.398 3.842 1.00 0.33 H new HETATM 0 H4'1 CRH A 27 -2.446 -11.711 2.201 1.00 0.33 H new HETATM 0 H153 CRH A 27 0.094 -3.076 0.806 1.00 0.18 H new HETATM 0 H152 CRH A 27 0.630 -4.570 0.000 1.00 0.18 H new HETATM 0 H151 CRH A 27 -0.776 -3.676 -0.626 1.00 0.18 H new HETATM 0 H1'3 CRH A 27 -8.887 -12.389 2.435 1.00 0.38 H new HETATM 0 H1'2 CRH A 27 -8.424 -13.107 3.996 1.00 0.38 H new HETATM 0 H1'1 CRH A 27 -9.840 -12.034 3.895 1.00 0.38 H new HETATM 0 HO8 CRH A 27 -3.409 -5.141 -0.991 1.00 0.23 H new HETATM 0 HO4 CRH A 27 -2.763 -13.801 1.626 1.00 0.41 H new HETATM 0 HO3 CRH A 27 -5.471 -14.833 2.646 1.00 0.40 H new HETATM 0 H5 CRH A 27 -1.137 -6.608 4.012 1.00 0.20 H new HETATM 0 H42 CRH A 27 -6.149 -8.534 4.069 1.00 0.20 H new HETATM 0 H41 CRH A 27 -4.731 -9.533 4.320 1.00 0.20 H new HETATM 0 H4' CRH A 27 -4.829 -12.451 1.961 1.00 0.34 H new HETATM 0 H3' CRH A 27 -4.566 -13.712 4.725 1.00 0.34 H new HETATM 0 H3 CRH A 27 -5.043 -10.575 2.228 1.00 0.21 H new HETATM 0 H22 CRH A 27 -7.773 -9.127 2.082 1.00 0.22 H new HETATM 0 H10 CRH A 27 -3.004 -7.998 4.155 1.00 0.18 H new HETATM 0 H1' CRH A 27 -6.840 -11.894 2.406 1.00 0.27 H new HETATM 1220 C1 MDA B 28C -10.654 -10.789 -8.910 1.00 0.35 C HETATM 1221 C2 MDA B 28C -9.528 -11.583 -9.562 1.00 0.37 C HETATM 1222 C3 MDA B 28C -8.854 -10.807 -10.681 1.00 0.37 C HETATM 1223 C4 MDA B 28C -9.915 -10.266 -11.629 1.00 0.40 C HETATM 1224 C5 MDA B 28C -11.032 -9.520 -10.875 1.00 0.36 C HETATM 1225 C6 MDA B 28C -12.080 -9.096 -11.890 1.00 0.44 C HETATM 1226 C3' MDA B 28C -7.928 -11.756 -11.448 1.00 0.45 C HETATM 1227 O5 MDA B 28C -11.606 -10.395 -9.900 1.00 0.38 O HETATM 1228 O3 MDA B 28C -8.151 -9.744 -10.097 1.00 0.35 O HETATM 1229 O4 MDA B 28C -9.333 -9.451 -12.638 1.00 0.44 O HETATM 0 H3'3 MDA B 28C -7.175 -12.157 -10.770 1.00 0.45 H new HETATM 0 H3'2 MDA B 28C -8.512 -12.576 -11.866 1.00 0.45 H new HETATM 0 H3'1 MDA B 28C -7.437 -11.212 -12.255 1.00 0.45 H new HETATM 0 HO4 MDA B 28C -8.526 -9.021 -12.286 1.00 0.44 H new HETATM 0 HO3 MDA B 28C -7.213 -9.778 -10.380 1.00 0.35 H new HETATM 0 H63 MDA B 28C -11.624 -8.441 -12.632 1.00 0.44 H new HETATM 0 H62 MDA B 28C -12.485 -9.979 -12.385 1.00 0.44 H new HETATM 0 H61 MDA B 28C -12.885 -8.564 -11.382 1.00 0.44 H new HETATM 0 H5 MDA B 28C -10.639 -8.642 -10.363 1.00 0.36 H new HETATM 0 H4 MDA B 28C -10.379 -11.121 -12.119 1.00 0.40 H new HETATM 0 H22 MDA B 28C -8.787 -11.847 -8.807 1.00 0.37 H new HETATM 0 H21 MDA B 28C -9.926 -12.517 -9.958 1.00 0.37 H new