USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 252 hydrogens (58 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: C 1 DSN H2 : C 1 DSN N : C 0 HQU C :(H bumps) USER MOD NoAdj-H: C 1 DSN H : C 1 DSN N : C 0 HQU C :(H bumps) USER MOD NoAdj-H: C 3 NYB HB2 : C 3 NYB CB : C 7 NCY SG :(H bumps) USER MOD NoAdj-H: C 3 NYB H : C 3 NYB N : C 2 ALA C :(H bumps) USER MOD NoAdj-H: C 4 CPC H : C 4 CPC N : C 3 NYB C :(H bumps) USER MOD NoAdj-H: C 5 DSN H2 : C 5 DSN N : C 9 HQU C :(H bumps) USER MOD NoAdj-H: C 5 DSN H : C 5 DSN N : C 9 HQU C :(H bumps) USER MOD NoAdj-H: C 7 NCY H : C 7 NCY N : C 6 ALA C :(H bumps) USER MOD NoAdj-H: C 8 CPC H : C 8 CPC N : C 7 NCY C :(H bumps) USER MOD Single : A 1 DA O5' : rot 180:sc= 0 USER MOD Single : A 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT C7 :methyl -30:sc= -0.0158 (180deg=-0.467) USER MOD Single : A 8 DT O3' : rot 180:sc= 0 USER MOD Single : B 1 DA O5' : rot 180:sc= 0 USER MOD Single : B 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 8 DT C7 :methyl -30:sc= -0.0119 (180deg=-0.593) USER MOD Single : B 8 DT O3' : rot 180:sc= 0 USER MOD Single : C 0 HQU O3 : rot 105:sc= 0.847 USER MOD Single : C 9 HQU O3 : rot 107:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 0.154 -15.113 1.876 1.00 0.49 O ATOM 2 C5' DA A 1 -0.579 -16.339 1.975 1.00 0.40 C ATOM 3 C4' DA A 1 -1.560 -16.339 3.151 1.00 0.23 C ATOM 4 O4' DA A 1 -0.836 -16.307 4.400 1.00 0.24 O ATOM 5 C3' DA A 1 -2.583 -15.172 3.142 1.00 0.21 C ATOM 6 O3' DA A 1 -3.869 -15.651 3.554 1.00 0.20 O ATOM 7 C2' DA A 1 -1.957 -14.253 4.207 1.00 0.19 C ATOM 8 C1' DA A 1 -1.276 -15.204 5.201 1.00 0.15 C ATOM 9 N9 DA A 1 -0.139 -14.670 5.958 1.00 0.19 N ATOM 10 C8 DA A 1 1.003 -14.242 5.442 1.00 0.26 C ATOM 11 N7 DA A 1 1.916 -13.810 6.257 1.00 0.29 N ATOM 12 C5 DA A 1 1.278 -13.983 7.488 1.00 0.26 C ATOM 13 C6 DA A 1 1.677 -13.728 8.808 1.00 0.34 C ATOM 14 N6 DA A 1 2.862 -13.227 9.129 1.00 0.41 N ATOM 15 N1 DA A 1 0.805 -14.017 9.782 1.00 0.37 N ATOM 16 C2 DA A 1 -0.383 -14.525 9.476 1.00 0.34 C ATOM 17 N3 DA A 1 -0.876 -14.810 8.278 1.00 0.25 N ATOM 18 C4 DA A 1 0.021 -14.510 7.314 1.00 0.21 C ATOM 0 H5' DA A 1 0.119 -17.168 2.088 1.00 0.40 H new ATOM 0 H5'' DA A 1 -1.127 -16.507 1.048 1.00 0.40 H new ATOM 0 H4' DA A 1 -2.134 -17.259 3.043 1.00 0.23 H new ATOM 0 H3' DA A 1 -2.748 -14.693 2.177 1.00 0.21 H new ATOM 0 H2' DA A 1 -1.237 -13.566 3.762 1.00 0.19 H new ATOM 0 H2'' DA A 1 -2.716 -13.645 4.699 1.00 0.19 H new ATOM 0 HO5' DA A 1 0.768 -15.160 1.113 1.00 0.49 H new ATOM 0 H1' DA A 1 -1.998 -15.445 5.981 1.00 0.15 H new ATOM 0 H8 DA A 1 1.170 -14.252 4.375 1.00 0.26 H new ATOM 0 H61 DA A 1 3.098 -13.062 10.108 1.00 0.41 H new ATOM 0 H62 DA A 1 3.538 -13.007 8.397 1.00 0.41 H new ATOM 0 H2 DA A 1 -1.033 -14.734 10.313 1.00 0.34 H new ATOM 31 P DC A 2 -5.171 -14.703 3.515 1.00 0.32 P ATOM 32 OP1 DC A 2 -6.361 -15.556 3.725 1.00 0.45 O ATOM 33 OP2 DC A 2 -5.084 -13.843 2.314 1.00 0.45 O ATOM 34 O5' DC A 2 -4.960 -13.772 4.811 1.00 0.33 O ATOM 35 C5' DC A 2 -5.236 -14.261 6.128 1.00 0.29 C ATOM 36 C4' DC A 2 -5.117 -13.151 7.198 1.00 0.30 C ATOM 37 O4' DC A 2 -3.772 -12.958 7.650 1.00 0.22 O ATOM 38 C3' DC A 2 -5.782 -11.777 7.050 1.00 0.34 C ATOM 39 O3' DC A 2 -7.022 -11.612 7.774 1.00 0.47 O ATOM 40 C2' DC A 2 -4.664 -10.810 7.538 1.00 0.31 C ATOM 41 C1' DC A 2 -3.694 -11.704 8.334 1.00 0.25 C ATOM 42 N1 DC A 2 -2.271 -11.308 8.186 1.00 0.15 N ATOM 43 C2 DC A 2 -1.521 -11.071 9.327 1.00 0.14 C ATOM 44 O2 DC A 2 -1.996 -11.160 10.455 1.00 0.20 O ATOM 45 N3 DC A 2 -0.216 -10.733 9.183 1.00 0.10 N ATOM 46 C4 DC A 2 0.340 -10.627 7.974 1.00 0.12 C ATOM 47 N4 DC A 2 1.622 -10.299 7.894 1.00 0.17 N ATOM 48 C5 DC A 2 -0.414 -10.864 6.786 1.00 0.15 C ATOM 49 C6 DC A 2 -1.710 -11.201 6.942 1.00 0.14 C ATOM 0 H5' DC A 2 -4.545 -15.069 6.366 1.00 0.29 H new ATOM 0 H5'' DC A 2 -6.241 -14.683 6.154 1.00 0.29 H new ATOM 0 H4' DC A 2 -5.774 -13.631 7.923 1.00 0.30 H new ATOM 0 H3' DC A 2 -6.112 -11.597 6.027 1.00 0.34 H new ATOM 0 H2' DC A 2 -4.161 -10.330 6.698 1.00 0.31 H new ATOM 0 H2'' DC A 2 -5.072 -10.015 8.162 1.00 0.31 H new ATOM 0 H1' DC A 2 -3.959 -11.675 9.391 1.00 0.25 H new ATOM 0 H41 DC A 2 2.070 -10.212 6.982 1.00 0.17 H new ATOM 0 H42 DC A 2 2.160 -10.134 8.745 1.00 0.17 H new ATOM 0 H5 DC A 2 0.033 -10.777 5.807 1.00 0.15 H new ATOM 0 H6 DC A 2 -2.317 -11.390 6.069 1.00 0.14 H new ATOM 61 P DA A 3 -7.306 -11.864 9.356 1.00 0.53 P ATOM 62 OP1 DA A 3 -6.706 -13.161 9.737 1.00 0.62 O ATOM 63 OP2 DA A 3 -8.745 -11.624 9.603 1.00 0.71 O ATOM 64 O5' DA A 3 -6.474 -10.716 10.112 1.00 0.39 O ATOM 65 C5' DA A 3 -6.760 -9.316 10.007 1.00 0.34 C ATOM 66 C4' DA A 3 -5.956 -8.531 11.038 1.00 0.23 C ATOM 67 O4' DA A 3 -4.542 -8.775 10.918 1.00 0.22 O ATOM 68 C3' DA A 3 -6.177 -7.021 10.921 1.00 0.28 C ATOM 69 O3' DA A 3 -6.795 -6.484 12.094 1.00 0.36 O ATOM 70 C2' DA A 3 -4.761 -6.482 10.738 1.00 0.24 C ATOM 71 C1' DA A 3 -3.831 -7.577 11.239 1.00 0.22 C ATOM 72 N9 DA A 3 -2.560 -7.661 10.497 1.00 0.16 N ATOM 73 C8 DA A 3 -2.337 -7.685 9.152 1.00 0.16 C ATOM 74 N7 DA A 3 -1.098 -7.781 8.777 1.00 0.15 N ATOM 75 C5 DA A 3 -0.427 -7.824 10.001 1.00 0.14 C ATOM 76 C6 DA A 3 0.929 -7.924 10.335 1.00 0.15 C ATOM 77 N6 DA A 3 1.899 -8.000 9.435 1.00 0.20 N ATOM 78 N1 DA A 3 1.250 -7.941 11.635 1.00 0.15 N ATOM 79 C2 DA A 3 0.292 -7.864 12.551 1.00 0.13 C ATOM 80 N3 DA A 3 -1.015 -7.766 12.364 1.00 0.13 N ATOM 81 C4 DA A 3 -1.309 -7.752 11.047 1.00 0.13 C ATOM 0 H5' DA A 3 -7.825 -9.143 10.159 1.00 0.34 H new ATOM 0 H5'' DA A 3 -6.520 -8.963 9.004 1.00 0.34 H new ATOM 0 H4' DA A 3 -6.315 -8.881 12.006 1.00 0.23 H new ATOM 0 H3' DA A 3 -6.849 -6.750 10.106 1.00 0.28 H new ATOM 0 H2' DA A 3 -4.563 -6.250 9.691 1.00 0.24 H new ATOM 0 H2'' DA A 3 -4.618 -5.560 11.301 1.00 0.24 H new ATOM 0 H1' DA A 3 -3.587 -7.403 12.287 1.00 0.22 H new ATOM 0 H8 DA A 3 -3.146 -7.627 8.439 1.00 0.16 H new ATOM 0 H61 DA A 3 2.871 -8.071 9.737 1.00 0.20 H new ATOM 0 H62 DA A 3 1.674 -7.987 8.440 1.00 0.20 H new ATOM 0 H2 DA A 3 0.621 -7.884 13.580 1.00 0.13 H new ATOM 93 P DC A 4 -7.838 -5.262 11.965 1.00 0.46 P ATOM 94 OP1 DC A 4 -8.644 -5.228 13.206 1.00 0.74 O ATOM 95 OP2 DC A 4 -8.523 -5.373 10.657 1.00 0.73 O ATOM 96 O5' DC A 4 -6.890 -3.956 11.922 1.00 0.26 O ATOM 97 C5' DC A 4 -6.640 -3.190 13.109 1.00 0.27 C ATOM 98 C4' DC A 4 -5.847 -1.910 12.875 1.00 0.25 C ATOM 99 O4' DC A 4 -4.526 -2.131 12.358 1.00 0.29 O ATOM 100 C3' DC A 4 -6.493 -0.965 11.870 1.00 0.19 C ATOM 101 O3' DC A 4 -7.558 -0.205 12.454 1.00 0.33 O ATOM 102 C2' DC A 4 -5.337 -0.061 11.527 1.00 0.24 C ATOM 103 C1' DC A 4 -4.080 -0.882 11.807 1.00 0.27 C ATOM 104 N1 DC A 4 -3.220 -1.081 10.625 1.00 0.27 N ATOM 105 C2 DC A 4 -1.845 -0.978 10.779 1.00 0.30 C ATOM 106 O2 DC A 4 -1.308 -0.749 11.862 1.00 0.32 O ATOM 107 N3 DC A 4 -1.063 -1.148 9.691 1.00 0.30 N ATOM 108 C4 DC A 4 -1.594 -1.413 8.496 1.00 0.31 C ATOM 109 N4 DC A 4 -0.752 -1.570 7.483 1.00 0.37 N ATOM 110 C5 DC A 4 -3.012 -1.525 8.316 1.00 0.30 C ATOM 111 C6 DC A 4 -3.781 -1.352 9.413 1.00 0.28 C ATOM 0 H5' DC A 4 -6.100 -3.813 13.822 1.00 0.27 H new ATOM 0 H5'' DC A 4 -7.594 -2.933 13.569 1.00 0.27 H new ATOM 0 H4' DC A 4 -5.819 -1.479 13.876 1.00 0.25 H new ATOM 0 H3' DC A 4 -6.945 -1.480 11.022 1.00 0.19 H new ATOM 0 H2' DC A 4 -5.378 0.250 10.483 1.00 0.24 H new ATOM 0 H2'' DC A 4 -5.356 0.846 12.131 1.00 0.24 H new ATOM 0 H1' DC A 4 -3.441 -0.340 12.504 1.00 0.27 H new ATOM 0 H41 DC A 4 -1.109 -1.774 6.550 1.00 0.37 H new ATOM 0 H42 DC A 4 0.253 -1.487 7.637 1.00 0.37 H new ATOM 0 H5 DC A 4 -3.445 -1.738 7.350 1.00 0.30 H new ATOM 0 H6 DC A 4 -4.855 -1.429 9.328 1.00 0.28 H new ATOM 123 P DG A 5 -8.571 0.705 11.583 1.00 0.28 P ATOM 124 OP1 DG A 5 -9.632 -0.192 11.074 1.00 0.43 O ATOM 125 OP2 DG A 5 -7.803 1.533 10.624 1.00 0.26 O ATOM 126 O5' DG A 5 -9.259 1.675 12.683 1.00 0.42 O ATOM 127 C5' DG A 5 -8.596 2.193 13.851 1.00 0.39 C ATOM 128 C4' DG A 5 -7.548 3.265 13.577 1.00 0.28 C ATOM 129 O4' DG A 5 -6.463 2.775 12.767 1.00 0.26 O ATOM 130 C3' DG A 5 -8.098 4.525 12.905 1.00 0.22 C ATOM 131 O3' DG A 5 -7.904 5.659 13.759 1.00 0.40 O ATOM 132 C2' DG A 5 -7.215 4.632 11.675 1.00 0.29 C ATOM 133 C1' DG A 5 -5.941 3.900 12.058 1.00 0.25 C ATOM 134 N9 DG A 5 -5.110 3.441 10.910 1.00 0.24 N ATOM 135 C8 DG A 5 -5.408 3.401 9.570 1.00 0.28 C ATOM 136 N7 DG A 5 -4.486 2.953 8.786 1.00 0.27 N ATOM 137 C5 DG A 5 -3.460 2.656 9.673 1.00 0.24 C ATOM 138 C6 DG A 5 -2.181 2.129 9.399 1.00 0.22 C ATOM 139 O6 DG A 5 -1.692 1.809 8.320 1.00 0.25 O ATOM 140 N1 DG A 5 -1.437 1.972 10.535 1.00 0.19 N ATOM 141 C2 DG A 5 -1.857 2.278 11.804 1.00 0.17 C ATOM 142 N2 DG A 5 -0.984 2.025 12.764 1.00 0.18 N ATOM 143 N3 DG A 5 -3.063 2.780 12.095 1.00 0.20 N ATOM 144 C4 DG A 5 -3.819 2.945 10.973 1.00 0.23 C ATOM 0 H5' DG A 5 -8.118 1.366 14.376 1.00 0.39 H new ATOM 0 H5'' DG A 5 -9.348 2.605 14.524 1.00 0.39 H new ATOM 0 H4' DG A 5 -7.192 3.532 14.572 1.00 0.28 H new ATOM 0 H3' DG A 5 -9.164 4.487 12.682 1.00 0.22 H new ATOM 0 H2' DG A 5 -7.689 4.176 10.805 1.00 0.29 H new ATOM 0 H2'' DG A 5 -7.014 5.672 11.420 1.00 0.29 H new ATOM 0 H1' DG A 5 -5.260 4.546 12.612 1.00 0.25 H new ATOM 0 H8 DG A 5 -6.365 3.728 9.192 1.00 0.28 H new ATOM 0 H1 DG A 5 -0.494 1.597 10.430 1.00 0.19 H new ATOM 0 H21 DG A 5 -1.222 2.225 13.735 1.00 0.18 H new ATOM 0 H22 DG A 5 -0.073 1.630 12.533 1.00 0.18 H new ATOM 156 P DT A 6 -9.126 6.618 14.177 1.00 0.39 P ATOM 157 OP1 DT A 6 -10.224 5.773 14.691 1.00 0.77 O ATOM 158 OP2 DT A 6 -9.377 7.538 13.048 1.00 1.00 O ATOM 159 O5' DT A 6 -8.564 7.504 15.391 1.00 0.30 O ATOM 160 C5' DT A 6 -7.743 6.971 16.440 1.00 0.28 C ATOM 161 C4' DT A 6 -6.399 7.688 16.493 1.00 0.21 C ATOM 162 O4' DT A 6 -5.658 7.560 15.257 1.00 0.19 O ATOM 163 C3' DT A 6 -6.517 9.180 16.799 1.00 0.23 C ATOM 164 O3' DT A 6 -5.607 9.450 17.874 1.00 0.26 O ATOM 165 C2' DT A 6 -6.149 9.809 15.476 1.00 0.27 C ATOM 166 C1' DT A 6 -5.148 8.849 14.876 1.00 0.22 C ATOM 167 N1 DT A 6 -5.040 8.908 13.393 1.00 0.23 N ATOM 168 C2 DT A 6 -3.775 9.003 12.832 1.00 0.27 C ATOM 169 O2 DT A 6 -2.736 9.049 13.484 1.00 0.34 O ATOM 170 N3 DT A 6 -3.724 9.041 11.459 1.00 0.27 N ATOM 171 C4 DT A 6 -4.785 9.000 10.597 1.00 0.27 C ATOM 172 O4 DT A 6 -4.560 9.051 9.390 1.00 0.33 O ATOM 173 C5 DT A 6 -6.072 8.901 11.250 1.00 0.28 C ATOM 174 C7 DT A 6 -7.349 8.836 10.414 1.00 0.38 C ATOM 175 C6 DT A 6 -6.159 8.858 12.596 1.00 0.24 C ATOM 0 H5' DT A 6 -7.585 5.905 16.278 1.00 0.28 H new ATOM 0 H5'' DT A 6 -8.254 7.076 17.397 1.00 0.28 H new ATOM 0 H4' DT A 6 -5.870 7.194 17.308 1.00 0.21 H new ATOM 0 H3' DT A 6 -7.485 9.557 17.130 1.00 0.23 H new ATOM 0 H2' DT A 6 -7.022 9.927 14.834 1.00 0.27 H new ATOM 0 H2'' DT A 6 -5.718 10.801 15.613 1.00 0.27 H new ATOM 0 H1' DT A 6 -4.145 9.084 15.231 1.00 0.22 H new ATOM 0 H3 DT A 6 -2.797 9.107 11.039 1.00 0.27 H new ATOM 0 H71 DT A 6 -8.104 8.260 10.948 1.00 0.38 H new ATOM 0 H72 DT A 6 -7.720 9.846 10.238 1.00 0.38 H new ATOM 0 H73 DT A 6 -7.135 8.356 9.459 1.00 0.38 H new ATOM 0 H6 DT A 6 -7.132 8.782 13.059 1.00 0.24 H new ATOM 188 P DG A 7 -5.488 10.837 18.685 1.00 0.26 P ATOM 189 OP1 DG A 7 -5.019 10.515 20.052 1.00 0.31 O ATOM 190 OP2 DG A 7 -6.732 11.621 18.505 1.00 0.29 O ATOM 191 O5' DG A 7 -4.307 11.586 17.885 1.00 0.28 O ATOM 192 C5' DG A 7 -2.926 11.540 18.286 1.00 0.27 C ATOM 193 C4' DG A 7 -2.065 12.484 17.447 1.00 0.19 C ATOM 194 O4' DG A 7 -1.974 12.040 16.077 1.00 0.21 O ATOM 195 C3' DG A 7 -2.654 13.914 17.421 1.00 0.21 C ATOM 196 O3' DG A 7 -1.680 14.938 17.652 1.00 0.24 O ATOM 197 C2' DG A 7 -3.162 13.981 15.997 1.00 0.21 C ATOM 198 C1' DG A 7 -2.128 13.183 15.231 1.00 0.17 C ATOM 199 N9 DG A 7 -2.525 12.762 13.870 1.00 0.16 N ATOM 200 C8 DG A 7 -3.761 12.575 13.324 1.00 0.16 C ATOM 201 N7 DG A 7 -3.792 12.188 12.082 1.00 0.14 N ATOM 202 C5 DG A 7 -2.434 12.109 11.765 1.00 0.14 C ATOM 203 C6 DG A 7 -1.796 11.739 10.550 1.00 0.19 C ATOM 204 O6 DG A 7 -2.285 11.399 9.476 1.00 0.22 O ATOM 205 N1 DG A 7 -0.426 11.792 10.659 1.00 0.22 N ATOM 206 C2 DG A 7 0.266 12.152 11.787 1.00 0.20 C ATOM 207 N2 DG A 7 1.582 12.154 11.723 1.00 0.23 N ATOM 208 N3 DG A 7 -0.314 12.499 12.930 1.00 0.17 N ATOM 209 C4 DG A 7 -1.663 12.456 12.850 1.00 0.14 C ATOM 0 H5' DG A 7 -2.552 10.521 18.188 1.00 0.27 H new ATOM 0 H5'' DG A 7 -2.843 11.810 19.339 1.00 0.27 H new ATOM 0 H4' DG A 7 -1.080 12.485 17.914 1.00 0.19 H new ATOM 0 H3' DG A 7 -3.396 14.083 18.201 1.00 0.21 H new ATOM 0 H2' DG A 7 -4.158 13.548 15.903 1.00 0.21 H new ATOM 0 H2'' DG A 7 -3.226 15.008 15.639 1.00 0.21 H new ATOM 0 H1' DG A 7 -1.232 13.774 15.043 1.00 0.17 H new ATOM 0 H8 DG A 7 -4.665 12.739 13.892 1.00 0.16 H new ATOM 0 H1 DG A 7 0.120 11.543 9.834 1.00 0.22 H new ATOM 0 H21 DG A 7 2.132 12.416 12.541 1.00 0.23 H new ATOM 0 H22 DG A 7 2.051 11.894 10.855 1.00 0.23 H new ATOM 221 P DT A 8 -2.128 16.462 17.940 1.00 0.20 P ATOM 222 OP1 DT A 8 -2.868 16.503 19.221 1.00 0.22 O ATOM 223 OP2 DT A 8 -2.757 16.999 16.710 1.00 0.30 O ATOM 224 O5' DT A 8 -0.725 17.220 18.175 1.00 0.17 O ATOM 225 C5' DT A 8 -0.057 18.030 17.197 1.00 0.20 C ATOM 226 C4' DT A 8 1.107 17.321 16.517 1.00 0.26 C ATOM 227 O4' DT A 8 0.614 16.244 15.699 1.00 0.23 O ATOM 228 C3' DT A 8 1.882 18.282 15.628 1.00 0.36 C ATOM 229 O3' DT A 8 3.250 17.866 15.539 1.00 0.44 O ATOM 230 C2' DT A 8 1.186 18.018 14.324 1.00 0.36 C ATOM 231 C1' DT A 8 1.014 16.520 14.351 1.00 0.26 C ATOM 232 N1 DT A 8 -0.038 16.146 13.389 1.00 0.23 N ATOM 233 C2 DT A 8 0.338 15.537 12.206 1.00 0.24 C ATOM 234 O2 DT A 8 1.501 15.279 11.908 1.00 0.26 O ATOM 235 N3 DT A 8 -0.681 15.222 11.350 1.00 0.26 N ATOM 236 C4 DT A 8 -2.016 15.446 11.547 1.00 0.33 C ATOM 237 O4 DT A 8 -2.810 15.093 10.680 1.00 0.37 O ATOM 238 C5 DT A 8 -2.336 16.089 12.805 1.00 0.33 C ATOM 239 C7 DT A 8 -3.795 16.413 13.137 1.00 0.46 C ATOM 240 C6 DT A 8 -1.351 16.412 13.673 1.00 0.26 C ATOM 0 H5' DT A 8 0.310 18.937 17.677 1.00 0.20 H new ATOM 0 H5'' DT A 8 -0.777 18.339 16.439 1.00 0.20 H new ATOM 0 H4' DT A 8 1.766 16.936 17.296 1.00 0.26 H new ATOM 0 H3' DT A 8 1.899 19.321 15.956 1.00 0.36 H new ATOM 0 H2' DT A 8 0.229 18.536 14.261 1.00 0.36 H new ATOM 0 H2'' DT A 8 1.782 18.344 13.471 1.00 0.36 H new ATOM 0 HO3' DT A 8 3.744 18.487 14.964 1.00 0.44 H new ATOM 0 H1' DT A 8 1.909 15.963 14.076 1.00 0.26 H new ATOM 0 H3 DT A 8 -0.418 14.773 10.473 1.00 0.26 H new ATOM 0 H71 DT A 8 -4.344 16.603 12.215 1.00 0.46 H new ATOM 0 H72 DT A 8 -4.245 15.569 13.660 1.00 0.46 H new ATOM 0 H73 DT A 8 -3.836 17.298 13.772 1.00 0.46 H new ATOM 0 H6 DT A 8 -1.605 16.889 14.608 1.00 0.26 H new TER 254 DT A 8 ATOM 255 O5' DA B 1 0.347 16.580 1.016 1.00 0.71 O ATOM 256 C5' DA B 1 1.246 17.675 1.217 1.00 0.68 C ATOM 257 C4' DA B 1 2.261 17.401 2.329 1.00 0.50 C ATOM 258 O4' DA B 1 1.589 17.314 3.605 1.00 0.46 O ATOM 259 C3' DA B 1 3.112 16.118 2.131 1.00 0.42 C ATOM 260 O3' DA B 1 4.468 16.366 2.523 1.00 0.36 O ATOM 261 C2' DA B 1 2.405 15.168 3.113 1.00 0.30 C ATOM 262 C1' DA B 1 1.901 16.073 4.249 1.00 0.25 C ATOM 263 N9 DA B 1 0.731 15.610 4.998 1.00 0.27 N ATOM 264 C8 DA B 1 -0.479 15.403 4.500 1.00 0.32 C ATOM 265 N7 DA B 1 -1.413 15.000 5.306 1.00 0.31 N ATOM 266 C5 DA B 1 -0.710 14.937 6.513 1.00 0.29 C ATOM 267 C6 DA B 1 -1.090 14.580 7.813 1.00 0.34 C ATOM 268 N6 DA B 1 -2.321 14.204 8.139 1.00 0.36 N ATOM 269 N1 DA B 1 -0.150 14.629 8.765 1.00 0.38 N ATOM 270 C2 DA B 1 1.085 15.007 8.456 1.00 0.36 C ATOM 271 N3 DA B 1 1.567 15.366 7.275 1.00 0.28 N ATOM 272 C4 DA B 1 0.600 15.308 6.333 1.00 0.26 C ATOM 0 H5' DA B 1 0.675 18.570 1.463 1.00 0.68 H new ATOM 0 H5'' DA B 1 1.777 17.881 0.287 1.00 0.68 H new ATOM 0 H4' DA B 1 2.952 18.244 2.294 1.00 0.50 H new ATOM 0 H3' DA B 1 3.173 15.743 1.110 1.00 0.42 H new ATOM 0 H2' DA B 1 1.580 14.644 2.630 1.00 0.30 H new ATOM 0 H2'' DA B 1 3.090 14.407 3.488 1.00 0.30 H new ATOM 0 HO5' DA B 1 -0.283 16.801 0.299 1.00 0.71 H new ATOM 0 H1' DA B 1 2.678 16.116 5.012 1.00 0.25 H new ATOM 0 H8 DA B 1 -0.683 15.565 3.452 1.00 0.32 H new ATOM 0 H61 DA B 1 -2.540 13.955 9.104 1.00 0.36 H new ATOM 0 H62 DA B 1 -3.048 14.164 7.425 1.00 0.36 H new ATOM 0 H2 DA B 1 1.789 15.024 9.275 1.00 0.36 H new ATOM 285 P DC B 2 5.626 15.265 2.307 1.00 0.36 P ATOM 286 OP1 DC B 2 6.932 15.939 2.485 1.00 0.40 O ATOM 287 OP2 DC B 2 5.343 14.524 1.057 1.00 0.54 O ATOM 288 O5' DC B 2 5.382 14.265 3.545 1.00 0.31 O ATOM 289 C5' DC B 2 5.810 14.607 4.868 1.00 0.19 C ATOM 290 C4' DC B 2 5.615 13.438 5.860 1.00 0.19 C ATOM 291 O4' DC B 2 4.293 13.379 6.404 1.00 0.18 O ATOM 292 C3' DC B 2 6.082 12.007 5.565 1.00 0.26 C ATOM 293 O3' DC B 2 7.349 11.635 6.156 1.00 0.37 O ATOM 294 C2' DC B 2 4.881 11.150 6.069 1.00 0.24 C ATOM 295 C1' DC B 2 4.096 12.094 7.000 1.00 0.20 C ATOM 296 N1 DC B 2 2.626 11.898 6.936 1.00 0.13 N ATOM 297 C2 DC B 2 1.930 11.669 8.112 1.00 0.19 C ATOM 298 O2 DC B 2 2.486 11.610 9.204 1.00 0.27 O ATOM 299 N3 DC B 2 0.585 11.511 8.045 1.00 0.17 N ATOM 300 C4 DC B 2 -0.060 11.574 6.878 1.00 0.16 C ATOM 301 N4 DC B 2 -1.377 11.418 6.875 1.00 0.23 N ATOM 302 C5 DC B 2 0.637 11.808 5.654 1.00 0.18 C ATOM 303 C6 DC B 2 1.973 11.962 5.734 1.00 0.12 C ATOM 0 H5' DC B 2 5.251 15.475 5.217 1.00 0.19 H new ATOM 0 H5'' DC B 2 6.862 14.892 4.846 1.00 0.19 H new ATOM 0 H4' DC B 2 6.378 13.775 6.562 1.00 0.19 H new ATOM 0 H3' DC B 2 6.309 11.863 4.509 1.00 0.26 H new ATOM 0 H2' DC B 2 4.263 10.807 5.239 1.00 0.24 H new ATOM 0 H2'' DC B 2 5.223 10.262 6.601 1.00 0.24 H new ATOM 0 H1' DC B 2 4.427 11.945 8.028 1.00 0.20 H new ATOM 0 H41 DC B 2 -1.894 11.462 5.997 1.00 0.23 H new ATOM 0 H42 DC B 2 -1.873 11.254 7.751 1.00 0.23 H new ATOM 0 H5 DC B 2 0.118 11.859 4.708 1.00 0.18 H new ATOM 0 H6 DC B 2 2.540 12.139 4.832 1.00 0.12 H new ATOM 315 P DA B 3 7.889 11.866 7.670 1.00 0.43 P ATOM 316 OP1 DA B 3 7.575 13.253 8.077 1.00 0.44 O ATOM 317 OP2 DA B 3 9.284 11.380 7.743 1.00 0.66 O ATOM 318 O5' DA B 3 6.970 10.885 8.533 1.00 0.37 O ATOM 319 C5' DA B 3 6.965 9.479 8.295 1.00 0.34 C ATOM 320 C4' DA B 3 5.895 8.807 9.131 1.00 0.23 C ATOM 321 O4' DA B 3 4.559 9.336 8.912 1.00 0.17 O ATOM 322 C3' DA B 3 5.814 7.337 8.757 1.00 0.24 C ATOM 323 O3' DA B 3 6.504 6.485 9.668 1.00 0.31 O ATOM 324 C2' DA B 3 4.325 7.054 8.811 1.00 0.32 C ATOM 325 C1' DA B 3 3.633 8.305 9.299 1.00 0.25 C ATOM 326 N9 DA B 3 2.333 8.416 8.618 1.00 0.26 N ATOM 327 C8 DA B 3 2.012 8.455 7.289 1.00 0.24 C ATOM 328 N7 DA B 3 0.741 8.543 7.017 1.00 0.23 N ATOM 329 C5 DA B 3 0.168 8.564 8.293 1.00 0.23 C ATOM 330 C6 DA B 3 -1.155 8.646 8.746 1.00 0.24 C ATOM 331 N6 DA B 3 -2.202 8.723 7.935 1.00 0.25 N ATOM 332 N1 DA B 3 -1.356 8.642 10.072 1.00 0.26 N ATOM 333 C2 DA B 3 -0.322 8.561 10.901 1.00 0.28 C ATOM 334 N3 DA B 3 0.959 8.481 10.597 1.00 0.28 N ATOM 335 C4 DA B 3 1.132 8.488 9.260 1.00 0.25 C ATOM 0 H5' DA B 3 7.942 9.059 8.536 1.00 0.34 H new ATOM 0 H5'' DA B 3 6.786 9.283 7.238 1.00 0.34 H new ATOM 0 H4' DA B 3 6.186 8.982 10.167 1.00 0.23 H new ATOM 0 H3' DA B 3 6.280 7.145 7.791 1.00 0.24 H new ATOM 0 H2' DA B 3 3.954 6.772 7.826 1.00 0.32 H new ATOM 0 H2'' DA B 3 4.119 6.218 9.480 1.00 0.32 H new ATOM 0 H1' DA B 3 3.412 8.342 10.366 1.00 0.25 H new ATOM 0 H8 DA B 3 2.764 8.415 6.515 1.00 0.24 H new ATOM 0 H61 DA B 3 -3.144 8.781 8.322 1.00 0.25 H new ATOM 0 H62 DA B 3 -2.065 8.725 6.924 1.00 0.25 H new ATOM 0 H2 DA B 3 -0.559 8.561 11.955 1.00 0.28 H new ATOM 347 P DC B 4 6.892 4.993 9.197 1.00 0.38 P ATOM 348 OP1 DC B 4 7.850 5.115 8.074 1.00 0.39 O ATOM 349 OP2 DC B 4 5.645 4.216 9.009 1.00 0.40 O ATOM 350 O5' DC B 4 7.694 4.411 10.470 1.00 0.51 O ATOM 351 C5' DC B 4 7.165 4.161 11.790 1.00 0.45 C ATOM 352 C4' DC B 4 6.224 2.959 11.904 1.00 0.30 C ATOM 353 O4' DC B 4 4.883 3.149 11.421 1.00 0.30 O ATOM 354 C3' DC B 4 6.736 1.751 11.142 1.00 0.22 C ATOM 355 O3' DC B 4 7.856 1.102 11.757 1.00 0.25 O ATOM 356 C2' DC B 4 5.497 0.886 11.129 1.00 0.20 C ATOM 357 C1' DC B 4 4.311 1.834 11.297 1.00 0.23 C ATOM 358 N1 DC B 4 3.367 1.701 10.167 1.00 0.23 N ATOM 359 C2 DC B 4 2.017 1.544 10.437 1.00 0.23 C ATOM 360 O2 DC B 4 1.562 1.536 11.580 1.00 0.26 O ATOM 361 N3 DC B 4 1.163 1.406 9.399 1.00 0.26 N ATOM 362 C4 DC B 4 1.608 1.423 8.140 1.00 0.31 C ATOM 363 N4 DC B 4 0.720 1.283 7.166 1.00 0.37 N ATOM 364 C5 DC B 4 2.994 1.587 7.836 1.00 0.34 C ATOM 365 C6 DC B 4 3.834 1.722 8.885 1.00 0.29 C ATOM 0 H5' DC B 4 6.632 5.051 12.124 1.00 0.45 H new ATOM 0 H5'' DC B 4 8.000 4.014 12.475 1.00 0.45 H new ATOM 0 H4' DC B 4 6.201 2.816 12.984 1.00 0.30 H new ATOM 0 H3' DC B 4 7.137 1.995 10.158 1.00 0.22 H new ATOM 0 H2' DC B 4 5.421 0.330 10.195 1.00 0.20 H new ATOM 0 H2'' DC B 4 5.526 0.153 11.935 1.00 0.20 H new ATOM 0 H1' DC B 4 3.712 1.607 12.179 1.00 0.23 H new ATOM 0 H41 DC B 4 1.025 1.291 6.193 1.00 0.37 H new ATOM 0 H42 DC B 4 -0.268 1.167 7.390 1.00 0.37 H new ATOM 0 H5 DC B 4 3.353 1.602 6.817 1.00 0.34 H new ATOM 0 H6 DC B 4 4.892 1.849 8.706 1.00 0.29 H new ATOM 377 P DG B 5 8.849 0.138 10.913 1.00 0.18 P ATOM 378 OP1 DG B 5 9.941 0.982 10.379 1.00 0.45 O ATOM 379 OP2 DG B 5 8.036 -0.672 9.978 1.00 0.48 O ATOM 380 O5' DG B 5 9.512 -0.860 12.002 1.00 0.30 O ATOM 381 C5' DG B 5 9.185 -0.768 13.395 1.00 0.24 C ATOM 382 C4' DG B 5 7.986 -1.628 13.779 1.00 0.13 C ATOM 383 O4' DG B 5 6.831 -1.323 12.969 1.00 0.14 O ATOM 384 C3' DG B 5 8.171 -3.160 13.723 1.00 0.11 C ATOM 385 O3' DG B 5 7.507 -3.778 14.840 1.00 0.19 O ATOM 386 C2' DG B 5 7.396 -3.499 12.484 1.00 0.13 C ATOM 387 C1' DG B 5 6.223 -2.566 12.608 1.00 0.13 C ATOM 388 N9 DG B 5 5.403 -2.444 11.393 1.00 0.15 N ATOM 389 C8 DG B 5 5.714 -2.689 10.083 1.00 0.23 C ATOM 390 N7 DG B 5 4.755 -2.505 9.227 1.00 0.25 N ATOM 391 C5 DG B 5 3.701 -2.096 10.044 1.00 0.20 C ATOM 392 C6 DG B 5 2.371 -1.742 9.705 1.00 0.19 C ATOM 393 O6 DG B 5 1.826 -1.707 8.602 1.00 0.22 O ATOM 394 N1 DG B 5 1.638 -1.396 10.812 1.00 0.20 N ATOM 395 C2 DG B 5 2.102 -1.377 12.103 1.00 0.20 C ATOM 396 N2 DG B 5 1.240 -0.974 13.021 1.00 0.23 N ATOM 397 N3 DG B 5 3.346 -1.707 12.450 1.00 0.14 N ATOM 398 C4 DG B 5 4.087 -2.055 11.363 1.00 0.14 C ATOM 0 H5' DG B 5 8.976 0.272 13.646 1.00 0.24 H new ATOM 0 H5'' DG B 5 10.048 -1.072 13.987 1.00 0.24 H new ATOM 0 H4' DG B 5 7.855 -1.360 14.828 1.00 0.13 H new ATOM 0 H3' DG B 5 9.213 -3.480 13.736 1.00 0.11 H new ATOM 0 H2' DG B 5 7.972 -3.318 11.576 1.00 0.13 H new ATOM 0 H2'' DG B 5 7.090 -4.545 12.464 1.00 0.13 H new ATOM 0 H1' DG B 5 5.502 -2.935 13.338 1.00 0.13 H new ATOM 0 H8 DG B 5 6.698 -3.016 9.779 1.00 0.23 H new ATOM 0 H1 DG B 5 0.665 -1.130 10.662 1.00 0.20 H new ATOM 0 H21 DG B 5 1.519 -0.936 14.001 1.00 0.23 H new ATOM 0 H22 DG B 5 0.296 -0.701 12.749 1.00 0.23 H new ATOM 410 P DT B 6 7.971 -3.609 16.379 1.00 0.28 P ATOM 411 OP1 DT B 6 6.794 -3.834 17.246 1.00 0.43 O ATOM 412 OP2 DT B 6 8.714 -2.335 16.507 1.00 0.30 O ATOM 413 O5' DT B 6 9.044 -4.803 16.584 1.00 0.37 O ATOM 414 C5' DT B 6 8.792 -6.213 16.751 1.00 0.31 C ATOM 415 C4' DT B 6 7.352 -6.592 17.123 1.00 0.33 C ATOM 416 O4' DT B 6 6.451 -6.384 16.008 1.00 0.39 O ATOM 417 C3' DT B 6 7.242 -8.066 17.511 1.00 0.33 C ATOM 418 O3' DT B 6 6.399 -8.230 18.662 1.00 0.32 O ATOM 419 C2' DT B 6 6.655 -8.662 16.273 1.00 0.37 C ATOM 420 C1' DT B 6 5.717 -7.596 15.777 1.00 0.35 C ATOM 421 N1 DT B 6 5.402 -7.758 14.337 1.00 0.27 N ATOM 422 C2 DT B 6 4.075 -7.854 13.960 1.00 0.22 C ATOM 423 O2 DT B 6 3.134 -7.812 14.746 1.00 0.27 O ATOM 424 N3 DT B 6 3.842 -8.002 12.615 1.00 0.21 N ATOM 425 C4 DT B 6 4.787 -8.061 11.623 1.00 0.22 C ATOM 426 O4 DT B 6 4.406 -8.206 10.467 1.00 0.23 O ATOM 427 C5 DT B 6 6.152 -7.951 12.091 1.00 0.27 C ATOM 428 C7 DT B 6 7.317 -7.992 11.096 1.00 0.37 C ATOM 429 C6 DT B 6 6.408 -7.806 13.407 1.00 0.32 C ATOM 0 H5' DT B 6 9.460 -6.594 17.524 1.00 0.31 H new ATOM 0 H5'' DT B 6 9.054 -6.723 15.824 1.00 0.31 H new ATOM 0 H4' DT B 6 7.081 -5.955 17.965 1.00 0.33 H new ATOM 0 H3' DT B 6 8.183 -8.534 17.802 1.00 0.33 H new ATOM 0 H2' DT B 6 7.424 -8.894 15.536 1.00 0.37 H new ATOM 0 H2'' DT B 6 6.128 -9.592 16.487 1.00 0.37 H new ATOM 0 H1' DT B 6 4.751 -7.623 16.280 1.00 0.35 H new ATOM 0 H3 DT B 6 2.867 -8.076 12.324 1.00 0.21 H new ATOM 0 H71 DT B 6 8.146 -7.399 11.482 1.00 0.37 H new ATOM 0 H72 DT B 6 7.642 -9.023 10.959 1.00 0.37 H new ATOM 0 H73 DT B 6 6.993 -7.583 10.139 1.00 0.37 H new ATOM 0 H6 DT B 6 7.433 -7.726 13.737 1.00 0.32 H new ATOM 442 P DG B 7 6.341 -9.612 19.492 1.00 0.27 P ATOM 443 OP1 DG B 7 5.917 -9.298 20.876 1.00 0.38 O ATOM 444 OP2 DG B 7 7.613 -10.336 19.266 1.00 0.31 O ATOM 445 O5' DG B 7 5.167 -10.448 18.763 1.00 0.26 O ATOM 446 C5' DG B 7 3.809 -10.492 19.240 1.00 0.25 C ATOM 447 C4' DG B 7 2.966 -11.503 18.461 1.00 0.22 C ATOM 448 O4' DG B 7 2.774 -11.092 17.091 1.00 0.19 O ATOM 449 C3' DG B 7 3.645 -12.892 18.424 1.00 0.18 C ATOM 450 O3' DG B 7 2.755 -13.978 18.715 1.00 0.27 O ATOM 451 C2' DG B 7 4.080 -12.951 16.976 1.00 0.13 C ATOM 452 C1' DG B 7 2.958 -12.239 16.255 1.00 0.13 C ATOM 453 N9 DG B 7 3.254 -11.820 14.868 1.00 0.10 N ATOM 454 C8 DG B 7 4.445 -11.566 14.254 1.00 0.12 C ATOM 455 N7 DG B 7 4.385 -11.198 13.007 1.00 0.14 N ATOM 456 C5 DG B 7 3.012 -11.209 12.763 1.00 0.08 C ATOM 457 C6 DG B 7 2.287 -10.902 11.578 1.00 0.11 C ATOM 458 O6 DG B 7 2.694 -10.551 10.474 1.00 0.17 O ATOM 459 N1 DG B 7 0.931 -11.040 11.765 1.00 0.13 N ATOM 460 C2 DG B 7 0.327 -11.425 12.934 1.00 0.15 C ATOM 461 N2 DG B 7 -0.989 -11.514 12.941 1.00 0.23 N ATOM 462 N3 DG B 7 0.986 -11.715 14.048 1.00 0.13 N ATOM 463 C4 DG B 7 2.322 -11.587 13.892 1.00 0.07 C ATOM 0 H5' DG B 7 3.361 -9.502 19.154 1.00 0.25 H new ATOM 0 H5'' DG B 7 3.804 -10.753 20.298 1.00 0.25 H new ATOM 0 H4' DG B 7 2.009 -11.556 18.979 1.00 0.22 H new ATOM 0 H3' DG B 7 4.433 -12.996 19.169 1.00 0.18 H new ATOM 0 H2' DG B 7 5.038 -12.455 16.822 1.00 0.13 H new ATOM 0 H2'' DG B 7 4.194 -13.978 16.630 1.00 0.13 H new ATOM 0 H1' DG B 7 2.094 -12.891 16.124 1.00 0.13 H new ATOM 0 H8 DG B 7 5.386 -11.665 14.774 1.00 0.12 H new ATOM 0 H1 DG B 7 0.326 -10.840 10.969 1.00 0.13 H new ATOM 0 H21 DG B 7 -1.476 -11.797 13.791 1.00 0.23 H new ATOM 0 H22 DG B 7 -1.519 -11.300 12.096 1.00 0.23 H new ATOM 475 P DT B 8 3.359 -15.452 18.970 1.00 0.29 P ATOM 476 OP1 DT B 8 4.159 -15.408 20.213 1.00 0.45 O ATOM 477 OP2 DT B 8 3.984 -15.926 17.710 1.00 0.32 O ATOM 478 O5' DT B 8 2.057 -16.354 19.268 1.00 0.41 O ATOM 479 C5' DT B 8 1.442 -17.244 18.325 1.00 0.47 C ATOM 480 C4' DT B 8 0.177 -16.674 17.696 1.00 0.52 C ATOM 481 O4' DT B 8 0.509 -15.557 16.850 1.00 0.46 O ATOM 482 C3' DT B 8 -0.527 -17.722 16.848 1.00 0.65 C ATOM 483 O3' DT B 8 -1.936 -17.459 16.820 1.00 0.72 O ATOM 484 C2' DT B 8 0.076 -17.396 15.512 1.00 0.61 C ATOM 485 C1' DT B 8 0.084 -15.886 15.523 1.00 0.50 C ATOM 486 N1 DT B 8 1.042 -15.409 14.512 1.00 0.41 N ATOM 487 C2 DT B 8 0.547 -14.855 13.344 1.00 0.40 C ATOM 488 O2 DT B 8 -0.649 -14.729 13.101 1.00 0.45 O ATOM 489 N3 DT B 8 1.484 -14.440 12.439 1.00 0.34 N ATOM 490 C4 DT B 8 2.845 -14.514 12.576 1.00 0.33 C ATOM 491 O4 DT B 8 3.552 -14.084 11.670 1.00 0.34 O ATOM 492 C5 DT B 8 3.289 -15.106 13.822 1.00 0.34 C ATOM 493 C7 DT B 8 4.791 -15.265 14.088 1.00 0.36 C ATOM 494 C6 DT B 8 2.386 -15.527 14.737 1.00 0.37 C ATOM 0 H5' DT B 8 1.200 -18.182 18.825 1.00 0.47 H new ATOM 0 H5'' DT B 8 2.158 -17.478 17.537 1.00 0.47 H new ATOM 0 H4' DT B 8 -0.483 -16.357 18.504 1.00 0.52 H new ATOM 0 H3' DT B 8 -0.415 -18.754 17.181 1.00 0.65 H new ATOM 0 H2' DT B 8 1.080 -17.807 15.408 1.00 0.61 H new ATOM 0 H2'' DT B 8 -0.518 -17.794 14.689 1.00 0.61 H new ATOM 0 HO3' DT B 8 -2.384 -18.136 16.271 1.00 0.72 H new ATOM 0 H1' DT B 8 -0.877 -15.431 15.285 1.00 0.50 H new ATOM 0 H3 DT B 8 1.133 -14.033 11.572 1.00 0.34 H new ATOM 0 H71 DT B 8 5.315 -15.403 13.142 1.00 0.36 H new ATOM 0 H72 DT B 8 5.169 -14.372 14.586 1.00 0.36 H new ATOM 0 H73 DT B 8 4.958 -16.134 14.725 1.00 0.36 H new ATOM 0 H6 DT B 8 2.732 -15.964 15.662 1.00 0.37 H new TER 508 DT B 8 HETATM 509 N DSN C 1 2.664 -4.436 14.110 1.00 0.18 N HETATM 510 CA DSN C 1 3.289 -4.372 15.481 1.00 0.13 C HETATM 511 C DSN C 1 3.602 -2.983 16.101 1.00 0.13 C HETATM 512 O DSN C 1 3.753 -2.904 17.319 1.00 0.17 O HETATM 513 CB DSN C 1 2.230 -5.069 16.427 1.00 0.18 C HETATM 514 OG DSN C 1 1.097 -4.192 16.385 1.00 0.24 O HETATM 0 HB3 DSN C 1 1.975 -6.068 16.073 1.00 0.18 H new HETATM 0 HB2 DSN C 1 2.612 -5.179 17.442 1.00 0.18 H new HETATM 0 HA DSN C 1 4.273 -4.831 15.383 1.00 0.13 H new ATOM 519 N ALA C 2 3.702 -1.923 15.330 1.00 0.14 N ATOM 520 CA ALA C 2 4.012 -0.578 15.948 1.00 0.17 C ATOM 521 C ALA C 2 2.764 0.327 16.071 1.00 0.14 C ATOM 522 O ALA C 2 1.760 0.005 15.431 1.00 0.23 O ATOM 523 CB ALA C 2 5.081 0.094 15.074 1.00 0.27 C ATOM 0 H ALA C 2 3.586 -1.923 14.317 1.00 0.14 H new ATOM 0 HA ALA C 2 4.370 -0.729 16.966 1.00 0.17 H new ATOM 0 HB1 ALA C 2 5.331 1.070 15.490 1.00 0.27 H new ATOM 0 HB2 ALA C 2 5.975 -0.529 15.049 1.00 0.27 H new ATOM 0 HB3 ALA C 2 4.697 0.219 14.061 1.00 0.27 H new HETATM 529 N NYB C 3 2.832 1.408 16.845 1.00 0.18 N HETATM 530 CA NYB C 3 1.627 2.300 17.038 1.00 0.16 C HETATM 531 CB NYB C 3 1.246 2.217 18.602 1.00 0.27 C HETATM 532 SG NYB C 3 1.681 3.593 19.700 1.00 0.49 S HETATM 533 CD NYB C 3 1.060 3.049 21.317 1.00 0.63 C HETATM 534 CE1 NYB C 3 -0.285 3.664 21.706 1.00 0.79 C HETATM 535 CE2 NYB C 3 2.013 3.362 22.485 1.00 0.86 C HETATM 536 CF NYB C 3 3.349 2.630 22.278 1.00 0.85 C HETATM 537 CN NYB C 3 4.076 1.814 17.612 1.00 0.35 C HETATM 538 C NYB C 3 1.935 3.765 16.555 1.00 0.19 C HETATM 539 O NYB C 3 2.320 4.608 17.367 1.00 0.27 O HETATM 0 HE22 NYB C 3 2.183 4.437 22.550 1.00 0.86 H new HETATM 0 HE21 NYB C 3 1.561 3.053 23.428 1.00 0.86 H new HETATM 0 HE13 NYB C 3 -0.191 4.749 21.747 1.00 0.79 H new HETATM 0 HE12 NYB C 3 -1.037 3.393 20.965 1.00 0.79 H new HETATM 0 HE11 NYB C 3 -0.587 3.289 22.684 1.00 0.79 H new HETATM 0 HN3 NYB C 3 4.382 2.814 17.305 1.00 0.35 H new HETATM 0 HN2 NYB C 3 3.861 1.812 18.681 1.00 0.35 H new HETATM 0 HN1 NYB C 3 4.879 1.108 17.402 1.00 0.35 H new HETATM 0 HF3 NYB C 3 3.172 1.555 22.236 1.00 0.85 H new HETATM 0 HF2 NYB C 3 3.804 2.960 21.344 1.00 0.85 H new HETATM 0 HF1 NYB C 3 4.020 2.855 23.107 1.00 0.85 H new HETATM 0 HD NYB C 3 0.963 1.973 21.172 1.00 0.63 H new HETATM 0 HB1 NYB C 3 1.712 1.318 19.005 1.00 0.27 H new HETATM 0 HA NYB C 3 0.778 1.975 16.437 1.00 0.16 H new HETATM 554 N CPC C 4 1.783 4.073 15.270 1.00 0.25 N HETATM 555 CN CPC C 4 1.328 3.089 14.228 1.00 0.38 C HETATM 556 CA CPC C 4 2.015 5.306 14.825 1.00 0.30 C HETATM 557 CB CPC C 4 3.200 5.343 13.818 1.00 0.29 C HETATM 558 CG1 CPC C 4 3.328 6.057 15.127 1.00 0.30 C HETATM 559 CG2 CPC C 4 3.147 6.363 12.619 1.00 0.37 C HETATM 560 C CPC C 4 0.683 6.092 14.549 1.00 0.28 C HETATM 561 O CPC C 4 0.574 6.918 13.652 1.00 0.33 O HETATM 0 HG23 CPC C 4 2.271 6.157 12.004 1.00 0.37 H new HETATM 0 HG22 CPC C 4 3.086 7.379 13.008 1.00 0.37 H new HETATM 0 HG21 CPC C 4 4.048 6.260 12.014 1.00 0.37 H new HETATM 0 HG13 CPC C 4 4.013 5.695 15.894 1.00 0.30 H new HETATM 0 HG12 CPC C 4 3.350 7.146 15.168 1.00 0.30 H new HETATM 0 HCN3 CPC C 4 0.397 3.437 13.781 1.00 0.38 H new HETATM 0 HCN2 CPC C 4 2.090 3.000 13.454 1.00 0.38 H new HETATM 0 HCN1 CPC C 4 1.167 2.116 14.692 1.00 0.38 H new HETATM 0 HB CPC C 4 3.711 4.551 13.271 1.00 0.29 H new HETATM 571 N DSN C 5 -2.122 5.580 13.261 1.00 0.18 N HETATM 572 CA DSN C 5 -2.649 5.764 14.662 1.00 0.20 C HETATM 573 C DSN C 5 -2.964 4.495 15.495 1.00 0.21 C HETATM 574 O DSN C 5 -2.996 4.580 16.723 1.00 0.33 O HETATM 575 CB DSN C 5 -1.544 6.605 15.421 1.00 0.25 C HETATM 576 OG DSN C 5 -0.377 5.774 15.396 1.00 0.25 O HETATM 0 HB3 DSN C 5 -1.362 7.559 14.926 1.00 0.25 H new HETATM 0 HB2 DSN C 5 -1.849 6.829 16.443 1.00 0.25 H new HETATM 0 HA DSN C 5 -3.626 6.237 14.560 1.00 0.20 H new ATOM 581 N ALA C 6 -3.192 3.355 14.884 1.00 0.21 N ATOM 582 CA ALA C 6 -3.497 2.124 15.704 1.00 0.24 C ATOM 583 C ALA C 6 -2.189 1.355 16.045 1.00 0.24 C ATOM 584 O ALA C 6 -1.189 1.622 15.375 1.00 0.24 O ATOM 585 CB ALA C 6 -4.458 1.264 14.878 1.00 0.27 C ATOM 0 H ALA C 6 -3.182 3.218 13.873 1.00 0.21 H new ATOM 0 HA ALA C 6 -3.956 2.390 16.656 1.00 0.24 H new ATOM 0 HB1 ALA C 6 -4.707 0.360 15.434 1.00 0.27 H new ATOM 0 HB2 ALA C 6 -5.369 1.828 14.676 1.00 0.27 H new ATOM 0 HB3 ALA C 6 -3.984 0.991 13.935 1.00 0.27 H new HETATM 591 N NCY C 7 -2.188 0.439 17.013 1.00 0.30 N HETATM 592 CA NCY C 7 -0.908 -0.273 17.396 1.00 0.27 C HETATM 593 CB NCY C 7 -0.572 0.244 18.846 1.00 0.30 C HETATM 594 SG NCY C 7 -0.523 2.047 18.934 1.00 0.34 S HETATM 595 CN NCY C 7 -3.417 0.075 17.823 1.00 0.42 C HETATM 596 C NCY C 7 -1.099 -1.823 17.351 1.00 0.29 C HETATM 597 O NCY C 7 -1.181 -2.430 18.424 1.00 0.33 O HETATM 0 HCN3 NCY C 7 -3.620 -0.991 17.717 1.00 0.42 H new HETATM 0 HCN2 NCY C 7 -3.243 0.309 18.873 1.00 0.42 H new HETATM 0 HCN1 NCY C 7 -4.273 0.645 17.461 1.00 0.42 H new HETATM 0 HB3 NCY C 7 -1.318 -0.132 19.546 1.00 0.30 H new HETATM 0 HB2 NCY C 7 0.391 -0.160 19.160 1.00 0.30 H new HETATM 0 HA NCY C 7 -0.091 -0.063 16.705 1.00 0.27 H new HETATM 604 N CPC C 8 -1.164 -2.440 16.173 1.00 0.28 N HETATM 605 CN CPC C 8 -1.053 -1.713 14.854 1.00 0.31 C HETATM 606 CA CPC C 8 -1.347 -3.755 16.097 1.00 0.28 C HETATM 607 CB CPC C 8 -2.718 -4.056 15.458 1.00 0.37 C HETATM 608 CG1 CPC C 8 -2.482 -4.447 16.874 1.00 0.34 C HETATM 609 CG2 CPC C 8 -2.816 -5.279 14.532 1.00 0.46 C HETATM 610 C CPC C 8 -0.062 -4.575 15.717 1.00 0.23 C HETATM 611 O CPC C 8 -0.047 -5.479 14.892 1.00 0.30 O HETATM 0 HG23 CPC C 8 -2.129 -5.157 13.695 1.00 0.46 H new HETATM 0 HG22 CPC C 8 -2.554 -6.179 15.089 1.00 0.46 H new HETATM 0 HG21 CPC C 8 -3.835 -5.369 14.155 1.00 0.46 H new HETATM 0 HG13 CPC C 8 -2.995 -3.934 17.687 1.00 0.34 H new HETATM 0 HG12 CPC C 8 -2.405 -5.497 17.158 1.00 0.34 H new HETATM 0 HCN3 CPC C 8 -0.205 -2.106 14.292 1.00 0.31 H new HETATM 0 HCN2 CPC C 8 -1.968 -1.859 14.280 1.00 0.31 H new HETATM 0 HCN1 CPC C 8 -0.906 -0.649 15.037 1.00 0.31 H new HETATM 0 HB CPC C 8 -3.426 -3.435 14.909 1.00 0.37 H new TER 621 CPC C 8 HETATM 622 N1 HQU C 0 1.377 -4.518 11.898 1.00 0.23 N HETATM 623 C2 HQU C 0 2.686 -4.801 11.837 1.00 0.21 C HETATM 624 C3 HQU C 0 3.252 -5.111 10.592 1.00 0.23 C HETATM 625 C4 HQU C 0 2.488 -5.130 9.460 1.00 0.23 C HETATM 626 C5 HQU C 0 0.256 -4.823 8.475 1.00 0.25 C HETATM 627 C6 HQU C 0 -1.101 -4.519 8.671 1.00 0.28 C HETATM 628 C7 HQU C 0 -1.593 -4.224 9.953 1.00 0.27 C HETATM 629 C8 HQU C 0 -0.732 -4.229 11.051 1.00 0.25 C HETATM 630 C9 HQU C 0 0.602 -4.528 10.819 1.00 0.22 C HETATM 631 C10 HQU C 0 1.145 -4.838 9.556 1.00 0.22 C HETATM 632 C HQU C 0 3.369 -4.754 13.051 1.00 0.21 C HETATM 633 O1 HQU C 0 4.576 -5.021 13.022 1.00 0.24 O HETATM 634 O3 HQU C 0 4.603 -5.403 10.507 1.00 0.25 O HETATM 0 HO3 HQU C 0 4.722 -6.368 10.386 1.00 0.25 H new HETATM 0 H8 HQU C 0 -1.095 -4.006 12.054 1.00 0.25 H new HETATM 0 H7 HQU C 0 -2.649 -3.991 10.090 1.00 0.27 H new HETATM 0 H6 HQU C 0 -1.780 -4.512 7.818 1.00 0.28 H new HETATM 0 H5 HQU C 0 0.620 -5.049 7.473 1.00 0.25 H new HETATM 0 H4 HQU C 0 2.934 -5.372 8.495 1.00 0.23 H new HETATM 641 N1 HQU C 9 -1.041 5.241 10.923 1.00 0.27 N HETATM 642 C2 HQU C 9 -2.322 5.648 10.958 1.00 0.21 C HETATM 643 C3 HQU C 9 -2.987 5.888 9.747 1.00 0.26 C HETATM 644 C4 HQU C 9 -2.349 5.712 8.552 1.00 0.33 C HETATM 645 C5 HQU C 9 -0.288 5.088 7.379 1.00 0.43 C HETATM 646 C6 HQU C 9 1.048 4.661 7.453 1.00 0.48 C HETATM 647 C7 HQU C 9 1.649 4.437 8.695 1.00 0.45 C HETATM 648 C8 HQU C 9 0.930 4.637 9.876 1.00 0.39 C HETATM 649 C9 HQU C 9 -0.390 5.061 9.772 1.00 0.34 C HETATM 650 C10 HQU C 9 -1.041 5.298 8.544 1.00 0.34 C HETATM 651 C HQU C 9 -2.888 5.828 12.224 1.00 0.14 C HETATM 652 O1 HQU C 9 -4.065 6.196 12.262 1.00 0.15 O HETATM 653 O3 HQU C 9 -4.312 6.294 9.756 1.00 0.29 O HETATM 0 HO3 HQU C 9 -4.365 7.243 9.516 1.00 0.29 H new HETATM 0 H8 HQU C 9 1.390 4.466 10.849 1.00 0.39 H new HETATM 0 H7 HQU C 9 2.686 4.104 8.742 1.00 0.45 H new HETATM 0 H6 HQU C 9 1.619 4.504 6.538 1.00 0.48 H new HETATM 0 H5 HQU C 9 -0.745 5.258 6.404 1.00 0.43 H new HETATM 0 H4 HQU C 9 -2.873 5.898 7.615 1.00 0.33 H new