USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=6 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 150:sc= 0 (180deg=0) 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 150:sc= 0 (180deg=0) USER MOD Single : B 8 DT O3' : rot 180:sc= 0 USER MOD Single : C 0 HQU O3 : rot 104:sc= 1.04 USER MOD Single : C 9 HQU O3 : rot 97:sc= 1.49 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 -1.354 -14.796 0.948 1.00 0.37 O ATOM 2 C5' DA A 1 -2.125 -15.958 1.254 1.00 0.31 C ATOM 3 C4' DA A 1 -2.851 -15.865 2.603 1.00 0.25 C ATOM 4 O4' DA A 1 -1.927 -15.912 3.717 1.00 0.24 O ATOM 5 C3' DA A 1 -3.758 -14.617 2.784 1.00 0.20 C ATOM 6 O3' DA A 1 -5.026 -15.027 3.316 1.00 0.25 O ATOM 7 C2' DA A 1 -2.938 -13.807 3.811 1.00 0.21 C ATOM 8 C1' DA A 1 -2.193 -14.854 4.652 1.00 0.22 C ATOM 9 N9 DA A 1 -0.913 -14.435 5.238 1.00 0.23 N ATOM 10 C8 DA A 1 0.170 -14.079 4.563 1.00 0.30 C ATOM 11 N7 DA A 1 1.227 -13.742 5.237 1.00 0.30 N ATOM 12 C5 DA A 1 0.769 -13.904 6.546 1.00 0.20 C ATOM 13 C6 DA A 1 1.382 -13.721 7.797 1.00 0.17 C ATOM 14 N6 DA A 1 2.638 -13.323 7.965 1.00 0.17 N ATOM 15 N1 DA A 1 0.642 -13.972 8.883 1.00 0.15 N ATOM 16 C2 DA A 1 -0.616 -14.375 8.752 1.00 0.17 C ATOM 17 N3 DA A 1 -1.304 -14.583 7.639 1.00 0.15 N ATOM 18 C4 DA A 1 -0.539 -14.325 6.557 1.00 0.18 C ATOM 0 H5' DA A 1 -1.470 -16.829 1.261 1.00 0.31 H new ATOM 0 H5'' DA A 1 -2.859 -16.117 0.464 1.00 0.31 H new ATOM 0 H4' DA A 1 -3.501 -16.740 2.595 1.00 0.25 H new ATOM 0 H3' DA A 1 -3.987 -14.059 1.876 1.00 0.20 H new ATOM 0 H2' DA A 1 -2.240 -13.133 3.314 1.00 0.21 H new ATOM 0 H2'' DA A 1 -3.586 -13.191 4.434 1.00 0.21 H new ATOM 0 HO5' DA A 1 -0.915 -14.914 0.080 1.00 0.37 H new ATOM 0 H1' DA A 1 -2.810 -15.103 5.515 1.00 0.22 H new ATOM 0 H8 DA A 1 0.173 -14.069 3.483 1.00 0.30 H new ATOM 0 H61 DA A 1 3.016 -13.212 8.906 1.00 0.17 H new ATOM 0 H62 DA A 1 3.224 -13.129 7.153 1.00 0.17 H new ATOM 0 H2 DA A 1 -1.149 -14.557 9.674 1.00 0.17 H new ATOM 31 P DC A 2 -6.221 -13.977 3.565 1.00 0.19 P ATOM 32 OP1 DC A 2 -7.461 -14.737 3.831 1.00 0.22 O ATOM 33 OP2 DC A 2 -6.194 -12.981 2.471 1.00 0.23 O ATOM 34 O5' DC A 2 -5.752 -13.251 4.923 1.00 0.24 O ATOM 35 C5' DC A 2 -6.018 -13.807 6.218 1.00 0.23 C ATOM 36 C4' DC A 2 -5.790 -12.757 7.335 1.00 0.25 C ATOM 37 O4' DC A 2 -4.416 -12.671 7.734 1.00 0.26 O ATOM 38 C3' DC A 2 -6.335 -11.327 7.214 1.00 0.28 C ATOM 39 O3' DC A 2 -7.552 -11.081 7.941 1.00 0.33 O ATOM 40 C2' DC A 2 -5.158 -10.459 7.758 1.00 0.22 C ATOM 41 C1' DC A 2 -4.207 -11.461 8.471 1.00 0.24 C ATOM 42 N1 DC A 2 -2.769 -11.155 8.248 1.00 0.24 N ATOM 43 C2 DC A 2 -1.925 -10.973 9.339 1.00 0.28 C ATOM 44 O2 DC A 2 -2.325 -11.028 10.497 1.00 0.35 O ATOM 45 N3 DC A 2 -0.613 -10.721 9.103 1.00 0.31 N ATOM 46 C4 DC A 2 -0.136 -10.645 7.859 1.00 0.33 C ATOM 47 N4 DC A 2 1.158 -10.414 7.683 1.00 0.37 N ATOM 48 C5 DC A 2 -0.984 -10.825 6.727 1.00 0.34 C ATOM 49 C6 DC A 2 -2.283 -11.075 6.971 1.00 0.29 C ATOM 0 H5' DC A 2 -5.371 -14.668 6.387 1.00 0.23 H new ATOM 0 H5'' DC A 2 -7.046 -14.167 6.258 1.00 0.23 H new ATOM 0 H4' DC A 2 -6.444 -13.207 8.082 1.00 0.25 H new ATOM 0 H3' DC A 2 -6.625 -11.102 6.188 1.00 0.28 H new ATOM 0 H2' DC A 2 -4.646 -9.938 6.949 1.00 0.22 H new ATOM 0 H2'' DC A 2 -5.518 -9.697 8.450 1.00 0.22 H new ATOM 0 H1' DC A 2 -4.407 -11.466 9.543 1.00 0.24 H new ATOM 0 H41 DC A 2 1.541 -10.352 6.740 1.00 0.37 H new ATOM 0 H42 DC A 2 1.770 -10.298 8.491 1.00 0.37 H new ATOM 0 H5 DC A 2 -0.601 -10.763 5.719 1.00 0.34 H new ATOM 0 H6 DC A 2 -2.958 -11.216 6.140 1.00 0.29 H new ATOM 61 P DA A 3 -7.724 -11.105 9.550 1.00 0.21 P ATOM 62 OP1 DA A 3 -7.079 -12.333 10.067 1.00 0.31 O ATOM 63 OP2 DA A 3 -9.148 -10.844 9.855 1.00 0.39 O ATOM 64 O5' DA A 3 -6.860 -9.834 10.057 1.00 0.28 O ATOM 65 C5' DA A 3 -6.842 -9.502 11.455 1.00 0.20 C ATOM 66 C4' DA A 3 -5.873 -8.384 11.852 1.00 0.21 C ATOM 67 O4' DA A 3 -4.496 -8.680 11.518 1.00 0.27 O ATOM 68 C3' DA A 3 -6.176 -7.052 11.173 1.00 0.22 C ATOM 69 O3' DA A 3 -7.019 -6.243 12.005 1.00 0.21 O ATOM 70 C2' DA A 3 -4.777 -6.418 10.996 1.00 0.27 C ATOM 71 C1' DA A 3 -3.755 -7.445 11.491 1.00 0.27 C ATOM 72 N9 DA A 3 -2.572 -7.583 10.612 1.00 0.30 N ATOM 73 C8 DA A 3 -2.441 -7.617 9.251 1.00 0.31 C ATOM 74 N7 DA A 3 -1.232 -7.755 8.792 1.00 0.29 N ATOM 75 C5 DA A 3 -0.482 -7.820 9.967 1.00 0.29 C ATOM 76 C6 DA A 3 0.889 -7.965 10.213 1.00 0.29 C ATOM 77 N6 DA A 3 1.795 -8.081 9.252 1.00 0.29 N ATOM 78 N1 DA A 3 1.292 -7.990 11.490 1.00 0.32 N ATOM 79 C2 DA A 3 0.398 -7.878 12.463 1.00 0.34 C ATOM 80 N3 DA A 3 -0.911 -7.736 12.361 1.00 0.33 N ATOM 81 C4 DA A 3 -1.290 -7.715 11.067 1.00 0.31 C ATOM 0 H5' DA A 3 -6.587 -10.398 12.021 1.00 0.20 H new ATOM 0 H5'' DA A 3 -7.849 -9.211 11.755 1.00 0.20 H new ATOM 0 H4' DA A 3 -6.012 -8.313 12.931 1.00 0.21 H new ATOM 0 H3' DA A 3 -6.711 -7.157 10.229 1.00 0.22 H new ATOM 0 H2' DA A 3 -4.597 -6.167 9.951 1.00 0.27 H new ATOM 0 H2'' DA A 3 -4.699 -5.491 11.564 1.00 0.27 H new ATOM 0 H1' DA A 3 -3.344 -7.145 12.455 1.00 0.27 H new ATOM 0 H8 DA A 3 -3.294 -7.534 8.594 1.00 0.31 H new ATOM 0 H61 DA A 3 2.781 -8.184 9.491 1.00 0.29 H new ATOM 0 H62 DA A 3 1.506 -8.067 8.274 1.00 0.29 H new ATOM 0 H2 DA A 3 0.791 -7.907 13.469 1.00 0.34 H new ATOM 93 P DC A 4 -7.658 -4.851 11.492 1.00 0.17 P ATOM 94 OP1 DC A 4 -8.762 -4.493 12.411 1.00 0.26 O ATOM 95 OP2 DC A 4 -7.924 -4.965 10.040 1.00 0.25 O ATOM 96 O5' DC A 4 -6.452 -3.790 11.700 1.00 0.24 O ATOM 97 C5' DC A 4 -6.162 -3.225 12.996 1.00 0.21 C ATOM 98 C4' DC A 4 -5.404 -1.902 12.920 1.00 0.15 C ATOM 99 O4' DC A 4 -4.089 -2.043 12.382 1.00 0.20 O ATOM 100 C3' DC A 4 -6.110 -0.884 12.034 1.00 0.14 C ATOM 101 O3' DC A 4 -7.149 -0.203 12.754 1.00 0.24 O ATOM 102 C2' DC A 4 -4.980 0.060 11.702 1.00 0.16 C ATOM 103 C1' DC A 4 -3.696 -0.747 11.915 1.00 0.16 C ATOM 104 N1 DC A 4 -2.877 -0.902 10.705 1.00 0.16 N ATOM 105 C2 DC A 4 -1.504 -0.796 10.840 1.00 0.17 C ATOM 106 O2 DC A 4 -0.965 -0.592 11.924 1.00 0.19 O ATOM 107 N3 DC A 4 -0.741 -0.929 9.737 1.00 0.20 N ATOM 108 C4 DC A 4 -1.293 -1.160 8.545 1.00 0.23 C ATOM 109 N4 DC A 4 -0.480 -1.284 7.507 1.00 0.29 N ATOM 110 C5 DC A 4 -2.711 -1.275 8.386 1.00 0.20 C ATOM 111 C6 DC A 4 -3.459 -1.139 9.495 1.00 0.17 C ATOM 0 H5' DC A 4 -5.576 -3.940 13.574 1.00 0.21 H new ATOM 0 H5'' DC A 4 -7.097 -3.070 13.535 1.00 0.21 H new ATOM 0 H4' DC A 4 -5.360 -1.564 13.955 1.00 0.15 H new ATOM 0 H3' DC A 4 -6.602 -1.319 11.164 1.00 0.14 H new ATOM 0 H2' DC A 4 -5.054 0.415 10.674 1.00 0.16 H new ATOM 0 H2'' DC A 4 -5.002 0.940 12.345 1.00 0.16 H new ATOM 0 H1' DC A 4 -3.074 -0.206 12.628 1.00 0.16 H new ATOM 0 H41 DC A 4 -0.862 -1.461 6.578 1.00 0.29 H new ATOM 0 H42 DC A 4 0.528 -1.202 7.636 1.00 0.29 H new ATOM 0 H5 DC A 4 -3.159 -1.462 7.421 1.00 0.20 H new ATOM 0 H6 DC A 4 -4.534 -1.218 9.426 1.00 0.17 H new ATOM 123 P DG A 5 -8.316 0.634 12.009 1.00 0.27 P ATOM 124 OP1 DG A 5 -9.313 -0.354 11.541 1.00 0.29 O ATOM 125 OP2 DG A 5 -7.697 1.552 11.025 1.00 0.32 O ATOM 126 O5' DG A 5 -9.038 1.509 13.173 1.00 0.38 O ATOM 127 C5' DG A 5 -8.406 1.961 14.381 1.00 0.35 C ATOM 128 C4' DG A 5 -7.380 3.074 14.172 1.00 0.20 C ATOM 129 O4' DG A 5 -6.338 2.686 13.252 1.00 0.21 O ATOM 130 C3' DG A 5 -7.991 4.364 13.619 1.00 0.14 C ATOM 131 O3' DG A 5 -7.740 5.445 14.531 1.00 0.19 O ATOM 132 C2' DG A 5 -7.229 4.528 12.312 1.00 0.19 C ATOM 133 C1' DG A 5 -5.908 3.857 12.560 1.00 0.17 C ATOM 134 N9 DG A 5 -5.150 3.479 11.341 1.00 0.13 N ATOM 135 C8 DG A 5 -5.521 3.468 10.017 1.00 0.16 C ATOM 136 N7 DG A 5 -4.617 3.090 9.172 1.00 0.15 N ATOM 137 C5 DG A 5 -3.533 2.817 10.000 1.00 0.11 C ATOM 138 C6 DG A 5 -2.244 2.364 9.659 1.00 0.16 C ATOM 139 O6 DG A 5 -1.784 2.098 8.557 1.00 0.25 O ATOM 140 N1 DG A 5 -1.445 2.215 10.764 1.00 0.19 N ATOM 141 C2 DG A 5 -1.821 2.460 12.056 1.00 0.20 C ATOM 142 N2 DG A 5 -0.892 2.228 12.972 1.00 0.21 N ATOM 143 N3 DG A 5 -3.034 2.889 12.408 1.00 0.15 N ATOM 144 C4 DG A 5 -3.843 3.047 11.321 1.00 0.11 C ATOM 0 H5' DG A 5 -7.914 1.114 14.859 1.00 0.35 H new ATOM 0 H5'' DG A 5 -9.174 2.314 15.069 1.00 0.35 H new ATOM 0 H4' DG A 5 -6.977 3.253 15.169 1.00 0.20 H new ATOM 0 H3' DG A 5 -9.072 4.346 13.481 1.00 0.14 H new ATOM 0 H2' DG A 5 -7.761 4.063 11.482 1.00 0.19 H new ATOM 0 H2'' DG A 5 -7.098 5.580 12.058 1.00 0.19 H new ATOM 0 H1' DG A 5 -5.210 4.512 13.082 1.00 0.17 H new ATOM 0 H8 DG A 5 -6.512 3.759 9.700 1.00 0.16 H new ATOM 0 H1 DG A 5 -0.489 1.894 10.609 1.00 0.19 H new ATOM 0 H21 DG A 5 -1.097 2.387 13.958 1.00 0.21 H new ATOM 0 H22 DG A 5 0.028 1.890 12.691 1.00 0.21 H new ATOM 156 P DT A 6 -8.800 6.635 14.819 1.00 0.16 P ATOM 157 OP1 DT A 6 -10.158 6.111 14.551 1.00 0.26 O ATOM 158 OP2 DT A 6 -8.352 7.855 14.111 1.00 0.23 O ATOM 159 O5' DT A 6 -8.696 6.881 16.418 1.00 0.19 O ATOM 160 C5' DT A 6 -7.492 6.933 17.207 1.00 0.18 C ATOM 161 C4' DT A 6 -6.468 7.984 16.760 1.00 0.17 C ATOM 162 O4' DT A 6 -5.909 7.688 15.465 1.00 0.23 O ATOM 163 C3' DT A 6 -7.053 9.410 16.649 1.00 0.22 C ATOM 164 O3' DT A 6 -6.883 10.274 17.789 1.00 0.31 O ATOM 165 C2' DT A 6 -6.349 9.954 15.401 1.00 0.25 C ATOM 166 C1' DT A 6 -5.317 8.908 15.010 1.00 0.24 C ATOM 167 N1 DT A 6 -5.047 8.850 13.547 1.00 0.19 N ATOM 168 C2 DT A 6 -3.732 8.931 13.116 1.00 0.15 C ATOM 169 O2 DT A 6 -2.774 9.039 13.875 1.00 0.19 O ATOM 170 N3 DT A 6 -3.538 8.883 11.757 1.00 0.12 N ATOM 171 C4 DT A 6 -4.499 8.765 10.791 1.00 0.15 C ATOM 172 O4 DT A 6 -4.146 8.745 9.615 1.00 0.20 O ATOM 173 C5 DT A 6 -5.847 8.683 11.311 1.00 0.16 C ATOM 174 C7 DT A 6 -7.049 8.540 10.374 1.00 0.26 C ATOM 175 C6 DT A 6 -6.070 8.727 12.640 1.00 0.18 C ATOM 0 H5' DT A 6 -7.017 5.952 17.183 1.00 0.18 H new ATOM 0 H5'' DT A 6 -7.764 7.130 18.244 1.00 0.18 H new ATOM 0 H4' DT A 6 -5.710 7.947 17.542 1.00 0.17 H new ATOM 0 H3' DT A 6 -8.141 9.374 16.593 1.00 0.22 H new ATOM 0 H2' DT A 6 -7.061 10.120 14.593 1.00 0.25 H new ATOM 0 H2'' DT A 6 -5.873 10.913 15.608 1.00 0.25 H new ATOM 0 H1' DT A 6 -4.342 9.126 15.446 1.00 0.24 H new ATOM 0 H3 DT A 6 -2.573 8.942 11.433 1.00 0.12 H new ATOM 0 H71 DT A 6 -7.840 7.986 10.879 1.00 0.26 H new ATOM 0 H72 DT A 6 -7.417 9.529 10.100 1.00 0.26 H new ATOM 0 H73 DT A 6 -6.747 8.003 9.475 1.00 0.26 H new ATOM 0 H6 DT A 6 -7.085 8.663 13.002 1.00 0.18 H new ATOM 188 P DG A 7 -5.536 10.481 18.655 1.00 0.37 P ATOM 189 OP1 DG A 7 -5.054 9.147 19.074 1.00 0.52 O ATOM 190 OP2 DG A 7 -5.811 11.514 19.678 1.00 0.62 O ATOM 191 O5' DG A 7 -4.466 11.085 17.613 1.00 0.24 O ATOM 192 C5' DG A 7 -3.099 11.306 18.005 1.00 0.19 C ATOM 193 C4' DG A 7 -2.387 12.313 17.107 1.00 0.19 C ATOM 194 O4' DG A 7 -2.263 11.866 15.742 1.00 0.17 O ATOM 195 C3' DG A 7 -3.150 13.652 17.065 1.00 0.17 C ATOM 196 O3' DG A 7 -2.289 14.743 17.416 1.00 0.18 O ATOM 197 C2' DG A 7 -3.594 13.716 15.610 1.00 0.12 C ATOM 198 C1' DG A 7 -2.471 13.000 14.889 1.00 0.15 C ATOM 199 N9 DG A 7 -2.776 12.575 13.507 1.00 0.15 N ATOM 200 C8 DG A 7 -3.966 12.371 12.869 1.00 0.17 C ATOM 201 N7 DG A 7 -3.894 11.997 11.626 1.00 0.17 N ATOM 202 C5 DG A 7 -2.513 11.944 11.415 1.00 0.19 C ATOM 203 C6 DG A 7 -1.775 11.602 10.255 1.00 0.21 C ATOM 204 O6 DG A 7 -2.171 11.268 9.143 1.00 0.24 O ATOM 205 N1 DG A 7 -0.419 11.676 10.470 1.00 0.23 N ATOM 206 C2 DG A 7 0.178 12.037 11.650 1.00 0.23 C ATOM 207 N2 DG A 7 1.497 12.050 11.669 1.00 0.26 N ATOM 208 N3 DG A 7 -0.494 12.361 12.747 1.00 0.21 N ATOM 209 C4 DG A 7 -1.833 12.294 12.557 1.00 0.19 C ATOM 0 H5' DG A 7 -2.560 10.359 17.981 1.00 0.19 H new ATOM 0 H5'' DG A 7 -3.073 11.661 19.035 1.00 0.19 H new ATOM 0 H4' DG A 7 -1.395 12.428 17.544 1.00 0.19 H new ATOM 0 H3' DG A 7 -3.979 13.719 17.770 1.00 0.17 H new ATOM 0 H2' DG A 7 -4.554 13.222 15.457 1.00 0.12 H new ATOM 0 H2'' DG A 7 -3.706 14.744 15.265 1.00 0.12 H new ATOM 0 H1' DG A 7 -1.609 13.650 14.743 1.00 0.15 H new ATOM 0 H8 DG A 7 -4.913 12.512 13.369 1.00 0.17 H new ATOM 0 H1 DG A 7 0.193 11.443 9.688 1.00 0.23 H new ATOM 0 H21 DG A 7 1.992 12.311 12.522 1.00 0.26 H new ATOM 0 H22 DG A 7 2.022 11.799 10.831 1.00 0.26 H new ATOM 221 P DT A 8 -2.836 16.238 17.653 1.00 0.16 P ATOM 222 OP1 DT A 8 -1.757 17.007 18.311 1.00 0.17 O ATOM 223 OP2 DT A 8 -4.173 16.162 18.284 1.00 0.28 O ATOM 224 O5' DT A 8 -3.025 16.802 16.148 1.00 0.24 O ATOM 225 C5' DT A 8 -2.020 17.570 15.464 1.00 0.28 C ATOM 226 C4' DT A 8 -0.683 16.833 15.294 1.00 0.27 C ATOM 227 O4' DT A 8 -0.840 15.672 14.453 1.00 0.22 O ATOM 228 C3' DT A 8 0.344 17.725 14.617 1.00 0.42 C ATOM 229 O3' DT A 8 1.650 17.215 14.902 1.00 0.53 O ATOM 230 C2' DT A 8 -0.033 17.441 13.178 1.00 0.36 C ATOM 231 C1' DT A 8 -0.228 15.947 13.179 1.00 0.25 C ATOM 232 N1 DT A 8 -1.144 15.589 12.075 1.00 0.18 N ATOM 233 C2 DT A 8 -0.611 15.060 10.917 1.00 0.21 C ATOM 234 O2 DT A 8 0.586 14.868 10.737 1.00 0.28 O ATOM 235 N3 DT A 8 -1.510 14.746 9.936 1.00 0.18 N ATOM 236 C4 DT A 8 -2.873 14.901 9.991 1.00 0.15 C ATOM 237 O4 DT A 8 -3.546 14.559 9.024 1.00 0.19 O ATOM 238 C5 DT A 8 -3.360 15.464 11.235 1.00 0.20 C ATOM 239 C7 DT A 8 -4.861 15.712 11.444 1.00 0.27 C ATOM 240 C6 DT A 8 -2.490 15.784 12.216 1.00 0.16 C ATOM 0 H5' DT A 8 -1.847 18.495 16.014 1.00 0.28 H new ATOM 0 H5'' DT A 8 -2.397 17.850 14.480 1.00 0.28 H new ATOM 0 H4' DT A 8 -0.353 16.548 16.293 1.00 0.27 H new ATOM 0 H3' DT A 8 0.355 18.777 14.901 1.00 0.42 H new ATOM 0 H2' DT A 8 -0.941 17.968 12.885 1.00 0.36 H new ATOM 0 H2'' DT A 8 0.751 17.747 12.485 1.00 0.36 H new ATOM 0 HO3' DT A 8 2.324 17.780 14.470 1.00 0.53 H new ATOM 0 H1' DT A 8 0.695 15.384 13.040 1.00 0.25 H new ATOM 0 H3 DT A 8 -1.129 14.356 9.074 1.00 0.18 H new ATOM 0 H71 DT A 8 -5.102 15.614 12.503 1.00 0.27 H new ATOM 0 H72 DT A 8 -5.114 16.717 11.105 1.00 0.27 H new ATOM 0 H73 DT A 8 -5.434 14.981 10.873 1.00 0.27 H new ATOM 0 H6 DT A 8 -2.867 16.205 13.136 1.00 0.16 H new TER 254 DT A 8 ATOM 255 O5' DA B 1 1.180 14.988 -0.599 1.00 0.46 O ATOM 256 C5' DA B 1 2.003 16.130 -0.349 1.00 0.33 C ATOM 257 C4' DA B 1 2.786 16.033 0.970 1.00 0.23 C ATOM 258 O4' DA B 1 1.912 16.129 2.122 1.00 0.28 O ATOM 259 C3' DA B 1 3.658 14.755 1.131 1.00 0.13 C ATOM 260 O3' DA B 1 4.958 15.146 1.591 1.00 0.18 O ATOM 261 C2' DA B 1 2.859 13.993 2.210 1.00 0.17 C ATOM 262 C1' DA B 1 2.187 15.080 3.063 1.00 0.24 C ATOM 263 N9 DA B 1 0.923 14.710 3.711 1.00 0.30 N ATOM 264 C8 DA B 1 -0.203 14.381 3.091 1.00 0.47 C ATOM 265 N7 DA B 1 -1.238 14.095 3.820 1.00 0.54 N ATOM 266 C5 DA B 1 -0.718 14.260 5.105 1.00 0.36 C ATOM 267 C6 DA B 1 -1.280 14.116 6.382 1.00 0.32 C ATOM 268 N6 DA B 1 -2.538 13.761 6.612 1.00 0.45 N ATOM 269 N1 DA B 1 -0.484 14.358 7.429 1.00 0.20 N ATOM 270 C2 DA B 1 0.780 14.719 7.236 1.00 0.18 C ATOM 271 N3 DA B 1 1.423 14.887 6.090 1.00 0.17 N ATOM 272 C4 DA B 1 0.601 14.638 5.047 1.00 0.24 C ATOM 0 H5' DA B 1 1.378 17.023 -0.329 1.00 0.33 H new ATOM 0 H5'' DA B 1 2.706 16.251 -1.173 1.00 0.33 H new ATOM 0 H4' DA B 1 3.465 16.884 0.921 1.00 0.23 H new ATOM 0 H3' DA B 1 3.826 14.165 0.230 1.00 0.13 H new ATOM 0 H2' DA B 1 2.118 13.334 1.758 1.00 0.17 H new ATOM 0 H2'' DA B 1 3.514 13.367 2.816 1.00 0.17 H new ATOM 0 HO5' DA B 1 0.706 15.106 -1.448 1.00 0.46 H new ATOM 0 H1' DA B 1 2.850 15.327 3.892 1.00 0.24 H new ATOM 0 H8 DA B 1 -0.257 14.352 2.013 1.00 0.47 H new ATOM 0 H61 DA B 1 -2.877 13.676 7.570 1.00 0.45 H new ATOM 0 H62 DA B 1 -3.166 13.573 5.830 1.00 0.45 H new ATOM 0 H2 DA B 1 1.359 14.899 8.130 1.00 0.18 H new ATOM 285 P DC B 2 6.150 14.089 1.829 1.00 0.15 P ATOM 286 OP1 DC B 2 7.411 14.852 1.947 1.00 0.26 O ATOM 287 OP2 DC B 2 6.034 13.004 0.825 1.00 0.20 O ATOM 288 O5' DC B 2 5.762 13.491 3.271 1.00 0.16 O ATOM 289 C5' DC B 2 6.113 14.156 4.489 1.00 0.11 C ATOM 290 C4' DC B 2 5.954 13.212 5.709 1.00 0.22 C ATOM 291 O4' DC B 2 4.606 13.180 6.200 1.00 0.27 O ATOM 292 C3' DC B 2 6.476 11.771 5.678 1.00 0.22 C ATOM 293 O3' DC B 2 7.741 11.562 6.332 1.00 0.25 O ATOM 294 C2' DC B 2 5.333 10.970 6.370 1.00 0.17 C ATOM 295 C1' DC B 2 4.438 12.040 7.054 1.00 0.26 C ATOM 296 N1 DC B 2 2.986 11.731 6.953 1.00 0.24 N ATOM 297 C2 DC B 2 2.214 11.657 8.104 1.00 0.24 C ATOM 298 O2 DC B 2 2.686 11.814 9.227 1.00 0.26 O ATOM 299 N3 DC B 2 0.888 11.401 7.978 1.00 0.27 N ATOM 300 C4 DC B 2 0.331 11.224 6.777 1.00 0.34 C ATOM 301 N4 DC B 2 -0.973 10.989 6.704 1.00 0.43 N ATOM 302 C5 DC B 2 1.104 11.292 5.583 1.00 0.36 C ATOM 303 C6 DC B 2 2.420 11.547 5.720 1.00 0.28 C ATOM 0 H5' DC B 2 5.482 15.035 4.621 1.00 0.11 H new ATOM 0 H5'' DC B 2 7.143 14.509 4.430 1.00 0.11 H new ATOM 0 H4' DC B 2 6.660 13.715 6.370 1.00 0.22 H new ATOM 0 H3' DC B 2 6.693 11.459 4.656 1.00 0.22 H new ATOM 0 H2' DC B 2 4.765 10.388 5.644 1.00 0.17 H new ATOM 0 H2'' DC B 2 5.732 10.266 7.100 1.00 0.17 H new ATOM 0 H1' DC B 2 4.707 12.137 8.106 1.00 0.26 H new ATOM 0 H41 DC B 2 -1.416 10.851 5.796 1.00 0.43 H new ATOM 0 H42 DC B 2 -1.532 10.946 7.556 1.00 0.43 H new ATOM 0 H5 DC B 2 0.656 11.146 4.611 1.00 0.36 H new ATOM 0 H6 DC B 2 3.041 11.608 4.839 1.00 0.28 H new ATOM 315 P DA B 3 8.087 11.800 7.891 1.00 0.25 P ATOM 316 OP1 DA B 3 7.849 13.228 8.202 1.00 0.42 O ATOM 317 OP2 DA B 3 9.418 11.208 8.145 1.00 0.33 O ATOM 318 O5' DA B 3 6.990 10.911 8.675 1.00 0.22 O ATOM 319 C5' DA B 3 6.851 10.998 10.096 1.00 0.23 C ATOM 320 C4' DA B 3 5.999 9.898 10.722 1.00 0.20 C ATOM 321 O4' DA B 3 4.602 9.954 10.355 1.00 0.22 O ATOM 322 C3' DA B 3 6.473 8.472 10.414 1.00 0.19 C ATOM 323 O3' DA B 3 7.110 7.952 11.589 1.00 0.22 O ATOM 324 C2' DA B 3 5.160 7.722 10.097 1.00 0.22 C ATOM 325 C1' DA B 3 4.025 8.648 10.518 1.00 0.24 C ATOM 326 N9 DA B 3 2.816 8.573 9.675 1.00 0.21 N ATOM 327 C8 DA B 3 2.637 8.446 8.324 1.00 0.19 C ATOM 328 N7 DA B 3 1.403 8.426 7.914 1.00 0.14 N ATOM 329 C5 DA B 3 0.693 8.551 9.107 1.00 0.11 C ATOM 330 C6 DA B 3 -0.674 8.600 9.398 1.00 0.10 C ATOM 331 N6 DA B 3 -1.621 8.530 8.474 1.00 0.20 N ATOM 332 N1 DA B 3 -1.028 8.730 10.685 1.00 0.10 N ATOM 333 C2 DA B 3 -0.091 8.806 11.627 1.00 0.13 C ATOM 334 N3 DA B 3 1.221 8.771 11.475 1.00 0.18 N ATOM 335 C4 DA B 3 1.547 8.641 10.172 1.00 0.16 C ATOM 0 H5' DA B 3 6.413 11.964 10.346 1.00 0.23 H new ATOM 0 H5'' DA B 3 7.843 10.971 10.547 1.00 0.23 H new ATOM 0 H4' DA B 3 6.121 10.107 11.785 1.00 0.20 H new ATOM 0 H3' DA B 3 7.190 8.390 9.597 1.00 0.19 H new ATOM 0 H2' DA B 3 5.095 7.485 9.035 1.00 0.22 H new ATOM 0 H2'' DA B 3 5.112 6.777 10.638 1.00 0.22 H new ATOM 0 H1' DA B 3 3.684 8.387 11.520 1.00 0.24 H new ATOM 0 H8 DA B 3 3.469 8.367 7.640 1.00 0.19 H new ATOM 0 H61 DA B 3 -2.603 8.571 8.746 1.00 0.20 H new ATOM 0 H62 DA B 3 -1.368 8.435 7.490 1.00 0.20 H new ATOM 0 H2 DA B 3 -0.447 8.909 12.641 1.00 0.13 H new ATOM 347 P DC B 4 8.071 6.665 11.578 1.00 0.23 P ATOM 348 OP1 DC B 4 8.873 6.690 12.823 1.00 0.40 O ATOM 349 OP2 DC B 4 8.753 6.596 10.268 1.00 0.23 O ATOM 350 O5' DC B 4 7.017 5.448 11.678 1.00 0.46 O ATOM 351 C5' DC B 4 7.297 4.164 11.106 1.00 0.35 C ATOM 352 C4' DC B 4 6.431 3.055 11.694 1.00 0.22 C ATOM 353 O4' DC B 4 5.032 3.221 11.414 1.00 0.22 O ATOM 354 C3' DC B 4 6.809 1.735 11.064 1.00 0.22 C ATOM 355 O3' DC B 4 7.866 1.160 11.828 1.00 0.31 O ATOM 356 C2' DC B 4 5.546 0.923 11.240 1.00 0.23 C ATOM 357 C1' DC B 4 4.408 1.923 11.427 1.00 0.20 C ATOM 358 N1 DC B 4 3.396 1.817 10.355 1.00 0.18 N ATOM 359 C2 DC B 4 2.047 1.779 10.680 1.00 0.15 C ATOM 360 O2 DC B 4 1.636 1.819 11.835 1.00 0.19 O ATOM 361 N3 DC B 4 1.148 1.699 9.669 1.00 0.17 N ATOM 362 C4 DC B 4 1.543 1.654 8.392 1.00 0.17 C ATOM 363 N4 DC B 4 0.621 1.578 7.441 1.00 0.20 N ATOM 364 C5 DC B 4 2.929 1.690 8.040 1.00 0.20 C ATOM 365 C6 DC B 4 3.811 1.769 9.057 1.00 0.21 C ATOM 0 H5' DC B 4 8.348 3.922 11.265 1.00 0.35 H new ATOM 0 H5'' DC B 4 7.140 4.209 10.028 1.00 0.35 H new ATOM 0 H4' DC B 4 6.599 3.088 12.770 1.00 0.22 H new ATOM 0 H3' DC B 4 7.142 1.800 10.028 1.00 0.22 H new ATOM 0 H2' DC B 4 5.367 0.291 10.370 1.00 0.23 H new ATOM 0 H2'' DC B 4 5.627 0.262 12.103 1.00 0.23 H new ATOM 0 H1' DC B 4 3.872 1.734 12.357 1.00 0.20 H new ATOM 0 H41 DC B 4 0.901 1.543 6.461 1.00 0.20 H new ATOM 0 H42 DC B 4 -0.368 1.555 7.690 1.00 0.20 H new ATOM 0 H5 DC B 4 3.253 1.656 7.010 1.00 0.20 H new ATOM 0 H6 DC B 4 4.868 1.795 8.839 1.00 0.21 H new ATOM 377 P DG B 5 8.924 0.122 11.212 1.00 0.29 P ATOM 378 OP1 DG B 5 9.929 0.915 10.473 1.00 0.61 O ATOM 379 OP2 DG B 5 8.195 -0.956 10.514 1.00 0.48 O ATOM 380 O5' DG B 5 9.659 -0.496 12.513 1.00 0.27 O ATOM 381 C5' DG B 5 9.064 -0.514 13.825 1.00 0.26 C ATOM 382 C4' DG B 5 7.978 -1.575 14.015 1.00 0.25 C ATOM 383 O4' DG B 5 6.858 -1.395 13.137 1.00 0.25 O ATOM 384 C3' DG B 5 8.436 -3.037 13.878 1.00 0.24 C ATOM 385 O3' DG B 5 8.089 -3.779 15.059 1.00 0.24 O ATOM 386 C2' DG B 5 7.621 -3.507 12.689 1.00 0.24 C ATOM 387 C1' DG B 5 6.358 -2.690 12.805 1.00 0.24 C ATOM 388 N9 DG B 5 5.558 -2.538 11.572 1.00 0.21 N ATOM 389 C8 DG B 5 5.884 -2.748 10.256 1.00 0.25 C ATOM 390 N7 DG B 5 4.949 -2.502 9.390 1.00 0.25 N ATOM 391 C5 DG B 5 3.894 -2.090 10.200 1.00 0.21 C ATOM 392 C6 DG B 5 2.591 -1.685 9.843 1.00 0.19 C ATOM 393 O6 DG B 5 2.075 -1.590 8.732 1.00 0.21 O ATOM 394 N1 DG B 5 1.842 -1.354 10.945 1.00 0.19 N ATOM 395 C2 DG B 5 2.277 -1.397 12.248 1.00 0.19 C ATOM 396 N2 DG B 5 1.401 -1.015 13.164 1.00 0.23 N ATOM 397 N3 DG B 5 3.501 -1.776 12.608 1.00 0.19 N ATOM 398 C4 DG B 5 4.255 -2.108 11.528 1.00 0.19 C ATOM 0 H5' DG B 5 8.635 0.467 14.029 1.00 0.26 H new ATOM 0 H5'' DG B 5 9.848 -0.679 14.564 1.00 0.26 H new ATOM 0 H4' DG B 5 7.693 -1.409 15.054 1.00 0.25 H new ATOM 0 H3' DG B 5 9.512 -3.161 13.752 1.00 0.24 H new ATOM 0 H2' DG B 5 8.137 -3.322 11.747 1.00 0.24 H new ATOM 0 H2'' DG B 5 7.417 -4.577 12.736 1.00 0.24 H new ATOM 0 H1' DG B 5 5.686 -3.178 13.511 1.00 0.24 H new ATOM 0 H8 DG B 5 6.861 -3.098 9.958 1.00 0.25 H new ATOM 0 H1 DG B 5 0.882 -1.051 10.783 1.00 0.19 H new ATOM 0 H21 DG B 5 1.659 -1.023 14.151 1.00 0.23 H new ATOM 0 H22 DG B 5 0.468 -0.713 12.883 1.00 0.23 H new ATOM 410 P DT B 6 8.734 -3.417 16.500 1.00 0.24 P ATOM 411 OP1 DT B 6 8.128 -2.148 16.960 1.00 0.31 O ATOM 412 OP2 DT B 6 10.206 -3.521 16.380 1.00 0.43 O ATOM 413 O5' DT B 6 8.225 -4.574 17.486 1.00 0.26 O ATOM 414 C5' DT B 6 8.631 -5.944 17.380 1.00 0.22 C ATOM 415 C4' DT B 6 7.434 -6.829 17.063 1.00 0.22 C ATOM 416 O4' DT B 6 6.866 -6.557 15.765 1.00 0.18 O ATOM 417 C3' DT B 6 7.823 -8.308 17.033 1.00 0.33 C ATOM 418 O3' DT B 6 7.717 -9.006 18.288 1.00 0.44 O ATOM 419 C2' DT B 6 6.870 -8.844 15.969 1.00 0.24 C ATOM 420 C1' DT B 6 5.999 -7.675 15.537 1.00 0.21 C ATOM 421 N1 DT B 6 5.592 -7.823 14.112 1.00 0.21 N ATOM 422 C2 DT B 6 4.239 -7.903 13.813 1.00 0.23 C ATOM 423 O2 DT B 6 3.351 -7.849 14.657 1.00 0.26 O ATOM 424 N3 DT B 6 3.924 -8.053 12.485 1.00 0.23 N ATOM 425 C4 DT B 6 4.801 -8.132 11.435 1.00 0.23 C ATOM 426 O4 DT B 6 4.344 -8.273 10.303 1.00 0.27 O ATOM 427 C5 DT B 6 6.196 -8.039 11.820 1.00 0.20 C ATOM 428 C7 DT B 6 7.300 -8.104 10.753 1.00 0.24 C ATOM 429 C6 DT B 6 6.535 -7.890 13.120 1.00 0.21 C ATOM 0 H5' DT B 6 9.093 -6.266 18.313 1.00 0.22 H new ATOM 0 H5'' DT B 6 9.385 -6.047 16.599 1.00 0.22 H new ATOM 0 H4' DT B 6 6.715 -6.610 17.853 1.00 0.22 H new ATOM 0 H3' DT B 6 8.882 -8.453 16.818 1.00 0.33 H new ATOM 0 H2' DT B 6 7.423 -9.249 15.122 1.00 0.24 H new ATOM 0 H2'' DT B 6 6.260 -9.655 16.368 1.00 0.24 H new ATOM 0 H1' DT B 6 5.054 -7.583 16.073 1.00 0.21 H new ATOM 0 H3 DT B 6 2.932 -8.112 12.256 1.00 0.23 H new ATOM 0 H71 DT B 6 8.160 -7.521 11.083 1.00 0.24 H new ATOM 0 H72 DT B 6 7.601 -9.141 10.604 1.00 0.24 H new ATOM 0 H73 DT B 6 6.924 -7.697 9.815 1.00 0.24 H new ATOM 0 H6 DT B 6 7.580 -7.822 13.385 1.00 0.21 H new ATOM 442 P DG B 7 6.431 -9.040 19.266 1.00 0.45 P ATOM 443 OP1 DG B 7 6.023 -7.648 19.555 1.00 0.62 O ATOM 444 OP2 DG B 7 6.732 -9.960 20.383 1.00 0.65 O ATOM 445 O5' DG B 7 5.277 -9.712 18.363 1.00 0.31 O ATOM 446 C5' DG B 7 3.930 -9.832 18.856 1.00 0.31 C ATOM 447 C4' DG B 7 3.131 -10.905 18.115 1.00 0.27 C ATOM 448 O4' DG B 7 2.939 -10.605 16.717 1.00 0.28 O ATOM 449 C3' DG B 7 3.847 -12.268 18.178 1.00 0.23 C ATOM 450 O3' DG B 7 2.985 -13.288 18.698 1.00 0.35 O ATOM 451 C2' DG B 7 4.197 -12.505 16.719 1.00 0.17 C ATOM 452 C1' DG B 7 3.059 -11.832 15.986 1.00 0.19 C ATOM 453 N9 DG B 7 3.290 -11.573 14.550 1.00 0.17 N ATOM 454 C8 DG B 7 4.446 -11.488 13.827 1.00 0.18 C ATOM 455 N7 DG B 7 4.310 -11.249 12.555 1.00 0.20 N ATOM 456 C5 DG B 7 2.922 -11.165 12.420 1.00 0.17 C ATOM 457 C6 DG B 7 2.126 -10.918 11.271 1.00 0.17 C ATOM 458 O6 DG B 7 2.462 -10.725 10.108 1.00 0.21 O ATOM 459 N1 DG B 7 0.784 -10.917 11.573 1.00 0.16 N ATOM 460 C2 DG B 7 0.252 -11.124 12.817 1.00 0.16 C ATOM 461 N2 DG B 7 -1.066 -11.086 12.914 1.00 0.17 N ATOM 462 N3 DG B 7 0.977 -11.357 13.903 1.00 0.18 N ATOM 463 C4 DG B 7 2.302 -11.362 13.629 1.00 0.16 C ATOM 0 H5' DG B 7 3.423 -8.872 18.757 1.00 0.31 H new ATOM 0 H5'' DG B 7 3.955 -10.071 19.919 1.00 0.31 H new ATOM 0 H4' DG B 7 2.164 -10.933 18.617 1.00 0.27 H new ATOM 0 H3' DG B 7 4.713 -12.285 18.840 1.00 0.23 H new ATOM 0 H2' DG B 7 5.161 -12.067 16.458 1.00 0.17 H new ATOM 0 H2'' DG B 7 4.256 -13.568 16.485 1.00 0.17 H new ATOM 0 H1' DG B 7 2.171 -12.463 15.961 1.00 0.19 H new ATOM 0 H8 DG B 7 5.416 -11.612 14.284 1.00 0.18 H new ATOM 0 H1 DG B 7 0.132 -10.748 10.807 1.00 0.16 H new ATOM 0 H21 DG B 7 -1.515 -11.234 13.818 1.00 0.17 H new ATOM 0 H22 DG B 7 -1.633 -10.909 12.085 1.00 0.17 H new ATOM 475 P DT B 8 3.563 -14.742 19.095 1.00 0.42 P ATOM 476 OP1 DT B 8 2.535 -15.440 19.898 1.00 0.45 O ATOM 477 OP2 DT B 8 4.928 -14.572 19.643 1.00 0.49 O ATOM 478 O5' DT B 8 3.692 -15.487 17.663 1.00 0.40 O ATOM 479 C5' DT B 8 2.671 -16.349 17.133 1.00 0.36 C ATOM 480 C4' DT B 8 1.311 -15.663 16.942 1.00 0.32 C ATOM 481 O4' DT B 8 1.403 -14.611 15.959 1.00 0.31 O ATOM 482 C3' DT B 8 0.273 -16.648 16.433 1.00 0.40 C ATOM 483 O3' DT B 8 -1.026 -16.128 16.718 1.00 0.50 O ATOM 484 C2' DT B 8 0.573 -16.541 14.953 1.00 0.40 C ATOM 485 C1' DT B 8 0.735 -15.050 14.759 1.00 0.34 C ATOM 486 N1 DT B 8 1.584 -14.816 13.573 1.00 0.31 N ATOM 487 C2 DT B 8 0.985 -14.442 12.389 1.00 0.40 C ATOM 488 O2 DT B 8 -0.225 -14.293 12.252 1.00 0.49 O ATOM 489 N3 DT B 8 1.828 -14.238 11.333 1.00 0.39 N ATOM 490 C4 DT B 8 3.196 -14.365 11.336 1.00 0.34 C ATOM 491 O4 DT B 8 3.811 -14.130 10.300 1.00 0.34 O ATOM 492 C5 DT B 8 3.754 -14.764 12.614 1.00 0.26 C ATOM 493 C7 DT B 8 5.269 -14.957 12.771 1.00 0.28 C ATOM 494 C6 DT B 8 2.938 -14.973 13.669 1.00 0.23 C ATOM 0 H5' DT B 8 2.546 -17.201 17.802 1.00 0.36 H new ATOM 0 H5'' DT B 8 3.005 -16.744 16.173 1.00 0.36 H new ATOM 0 H4' DT B 8 1.021 -15.264 17.914 1.00 0.32 H new ATOM 0 H3' DT B 8 0.299 -17.657 16.845 1.00 0.40 H new ATOM 0 H2' DT B 8 1.477 -17.086 14.682 1.00 0.40 H new ATOM 0 H2'' DT B 8 -0.237 -16.944 14.345 1.00 0.40 H new ATOM 0 HO3' DT B 8 -1.707 -16.753 16.393 1.00 0.50 H new ATOM 0 H1' DT B 8 -0.205 -14.522 14.600 1.00 0.34 H new ATOM 0 H3 DT B 8 1.397 -13.963 10.451 1.00 0.39 H new ATOM 0 H71 DT B 8 5.561 -14.727 13.796 1.00 0.28 H new ATOM 0 H72 DT B 8 5.530 -15.990 12.543 1.00 0.28 H new ATOM 0 H73 DT B 8 5.794 -14.291 12.086 1.00 0.28 H new ATOM 0 H6 DT B 8 3.367 -15.272 14.614 1.00 0.23 H new TER 508 DT B 8 HETATM 509 N DSN C 1 2.643 -4.452 14.098 1.00 0.11 N HETATM 510 CA DSN C 1 3.303 -4.395 15.455 1.00 0.13 C HETATM 511 C DSN C 1 3.538 -2.991 16.096 1.00 0.17 C HETATM 512 O DSN C 1 3.526 -2.882 17.323 1.00 0.37 O HETATM 513 CB DSN C 1 2.300 -5.174 16.364 1.00 0.12 C HETATM 514 OG DSN C 1 1.102 -4.415 16.170 1.00 0.28 O HETATM 0 HB3 DSN C 1 2.184 -6.212 16.053 1.00 0.12 H new HETATM 0 HB2 DSN C 1 2.615 -5.187 17.407 1.00 0.12 H new HETATM 0 HA DSN C 1 4.314 -4.790 15.353 1.00 0.13 H new ATOM 519 N ALA C 2 3.742 -1.940 15.334 1.00 0.17 N ATOM 520 CA ALA C 2 3.977 -0.587 15.973 1.00 0.18 C ATOM 521 C ALA C 2 2.665 0.178 16.300 1.00 0.19 C ATOM 522 O ALA C 2 1.624 -0.211 15.766 1.00 0.25 O ATOM 523 CB ALA C 2 4.850 0.225 15.010 1.00 0.18 C ATOM 0 H ALA C 2 3.757 -1.951 14.314 1.00 0.17 H new ATOM 0 HA ALA C 2 4.469 -0.735 16.934 1.00 0.18 H new ATOM 0 HB1 ALA C 2 5.042 1.210 15.436 1.00 0.18 H new ATOM 0 HB2 ALA C 2 5.796 -0.293 14.852 1.00 0.18 H new ATOM 0 HB3 ALA C 2 4.333 0.337 14.057 1.00 0.18 H new HETATM 529 N NYB C 3 2.710 1.222 17.127 1.00 0.19 N HETATM 530 CA NYB C 3 1.445 1.960 17.502 1.00 0.15 C HETATM 531 CB NYB C 3 1.153 1.577 19.052 1.00 0.19 C HETATM 532 SG NYB C 3 2.006 2.505 20.356 1.00 0.32 S HETATM 533 CD NYB C 3 1.743 1.408 21.778 1.00 0.27 C HETATM 534 CE1 NYB C 3 2.048 2.096 23.111 1.00 0.50 C HETATM 535 CE2 NYB C 3 2.550 0.083 21.724 1.00 0.30 C HETATM 536 CF NYB C 3 2.077 -0.937 22.796 1.00 0.48 C HETATM 537 CN NYB C 3 3.982 1.722 17.774 1.00 0.28 C HETATM 538 C NYB C 3 1.564 3.516 17.312 1.00 0.11 C HETATM 539 O NYB C 3 1.605 4.236 18.311 1.00 0.17 O HETATM 0 HE22 NYB C 3 2.450 -0.361 20.734 1.00 0.30 H new HETATM 0 HE21 NYB C 3 3.608 0.298 21.872 1.00 0.30 H new HETATM 0 HE13 NYB C 3 3.089 2.419 23.124 1.00 0.50 H new HETATM 0 HE12 NYB C 3 1.398 2.963 23.230 1.00 0.50 H new HETATM 0 HE11 NYB C 3 1.875 1.397 23.929 1.00 0.50 H new HETATM 0 HN3 NYB C 3 4.145 2.764 17.498 1.00 0.28 H new HETATM 0 HN2 NYB C 3 3.894 1.643 18.858 1.00 0.28 H new HETATM 0 HN1 NYB C 3 4.824 1.120 17.433 1.00 0.28 H new HETATM 0 HF3 NYB C 3 2.202 -0.505 23.789 1.00 0.48 H new HETATM 0 HF2 NYB C 3 1.026 -1.175 22.633 1.00 0.48 H new HETATM 0 HF1 NYB C 3 2.671 -1.848 22.719 1.00 0.48 H new HETATM 0 HD NYB C 3 0.683 1.162 21.713 1.00 0.27 H new HETATM 0 HB1 NYB C 3 1.397 0.523 19.183 1.00 0.19 H new HETATM 0 HA NYB C 3 0.626 1.663 16.847 1.00 0.15 H new HETATM 554 N CPC C 4 1.613 4.032 16.085 1.00 0.17 N HETATM 555 CN CPC C 4 1.557 3.193 14.832 1.00 0.26 C HETATM 556 CA CPC C 4 1.717 5.347 15.903 1.00 0.19 C HETATM 557 CB CPC C 4 3.102 5.692 15.313 1.00 0.30 C HETATM 558 CG1 CPC C 4 2.764 6.189 16.666 1.00 0.26 C HETATM 559 CG2 CPC C 4 3.262 6.910 14.375 1.00 0.58 C HETATM 560 C CPC C 4 0.406 6.029 15.371 1.00 0.22 C HETATM 561 O CPC C 4 0.414 6.802 14.420 1.00 0.26 O HETATM 0 HG23 CPC C 4 2.628 6.780 13.498 1.00 0.58 H new HETATM 0 HG22 CPC C 4 2.968 7.817 14.903 1.00 0.58 H new HETATM 0 HG21 CPC C 4 4.303 6.994 14.061 1.00 0.58 H new HETATM 0 HG13 CPC C 4 3.265 5.790 17.548 1.00 0.26 H new HETATM 0 HG12 CPC C 4 2.602 7.252 16.845 1.00 0.26 H new HETATM 0 HCN3 CPC C 4 0.692 3.485 14.237 1.00 0.26 H new HETATM 0 HCN2 CPC C 4 2.466 3.347 14.250 1.00 0.26 H new HETATM 0 HCN1 CPC C 4 1.473 2.140 15.102 1.00 0.26 H new HETATM 0 HB CPC C 4 3.832 5.049 14.821 1.00 0.30 H new HETATM 571 N DSN C 5 -2.200 5.613 13.694 1.00 0.23 N HETATM 572 CA DSN C 5 -2.929 5.726 15.009 1.00 0.26 C HETATM 573 C DSN C 5 -3.284 4.427 15.801 1.00 0.23 C HETATM 574 O DSN C 5 -3.534 4.526 17.002 1.00 0.31 O HETATM 575 CB DSN C 5 -1.930 6.541 15.929 1.00 0.27 C HETATM 576 OG DSN C 5 -0.775 5.695 16.033 1.00 0.27 O HETATM 0 HB3 DSN C 5 -1.679 7.505 15.487 1.00 0.27 H new HETATM 0 HB2 DSN C 5 -2.365 6.743 16.908 1.00 0.27 H new HETATM 0 HA DSN C 5 -3.902 6.156 14.772 1.00 0.26 H new ATOM 581 N ALA C 6 -3.322 3.264 15.195 1.00 0.19 N ATOM 582 CA ALA C 6 -3.666 2.015 15.986 1.00 0.20 C ATOM 583 C ALA C 6 -2.400 1.230 16.413 1.00 0.17 C ATOM 584 O ALA C 6 -1.345 1.517 15.831 1.00 0.30 O ATOM 585 CB ALA C 6 -4.544 1.122 15.119 1.00 0.24 C ATOM 0 H ALA C 6 -3.135 3.115 14.203 1.00 0.19 H new ATOM 0 HA ALA C 6 -4.187 2.316 16.895 1.00 0.20 H new ATOM 0 HB1 ALA C 6 -4.802 0.218 15.671 1.00 0.24 H new ATOM 0 HB2 ALA C 6 -5.456 1.657 14.852 1.00 0.24 H new ATOM 0 HB3 ALA C 6 -4.004 0.851 14.212 1.00 0.24 H new HETATM 591 N NCY C 7 -2.484 0.286 17.349 1.00 0.17 N HETATM 592 CA NCY C 7 -1.251 -0.461 17.800 1.00 0.22 C HETATM 593 CB NCY C 7 -0.960 -0.029 19.275 1.00 0.20 C HETATM 594 SG NCY C 7 -0.584 1.720 19.533 1.00 0.20 S HETATM 595 CN NCY C 7 -3.772 -0.104 18.054 1.00 0.26 C HETATM 596 C NCY C 7 -1.404 -2.002 17.734 1.00 0.15 C HETATM 597 O NCY C 7 -1.692 -2.601 18.777 1.00 0.27 O HETATM 0 HCN3 NCY C 7 -3.973 -1.162 17.886 1.00 0.26 H new HETATM 0 HCN2 NCY C 7 -3.672 0.081 19.123 1.00 0.26 H new HETATM 0 HCN1 NCY C 7 -4.597 0.489 17.659 1.00 0.26 H new HETATM 0 HB3 NCY C 7 -1.826 -0.287 19.885 1.00 0.20 H new HETATM 0 HB2 NCY C 7 -0.121 -0.618 19.646 1.00 0.20 H new HETATM 0 HA NCY C 7 -0.433 -0.210 17.125 1.00 0.22 H new HETATM 604 N CPC C 8 -1.224 -2.641 16.586 1.00 0.11 N HETATM 605 CN CPC C 8 -0.867 -1.939 15.289 1.00 0.32 C HETATM 606 CA CPC C 8 -1.350 -3.973 16.556 1.00 0.10 C HETATM 607 CB CPC C 8 -2.293 -4.545 15.470 1.00 0.17 C HETATM 608 CG1 CPC C 8 -2.703 -4.608 16.916 1.00 0.18 C HETATM 609 CG2 CPC C 8 -1.925 -5.923 14.884 1.00 0.26 C HETATM 610 C CPC C 8 -0.037 -4.758 16.881 1.00 0.14 C HETATM 611 O CPC C 8 -0.037 -5.639 17.731 1.00 0.33 O HETATM 0 HG23 CPC C 8 -0.940 -5.870 14.420 1.00 0.26 H new HETATM 0 HG22 CPC C 8 -1.911 -6.666 15.682 1.00 0.26 H new HETATM 0 HG21 CPC C 8 -2.664 -6.209 14.135 1.00 0.26 H new HETATM 0 HG13 CPC C 8 -3.524 -3.997 17.290 1.00 0.18 H new HETATM 0 HG12 CPC C 8 -2.750 -5.562 17.442 1.00 0.18 H new HETATM 0 HCN3 CPC C 8 0.092 -2.310 14.927 1.00 0.32 H new HETATM 0 HCN2 CPC C 8 -1.637 -2.137 14.544 1.00 0.32 H new HETATM 0 HCN1 CPC C 8 -0.799 -0.865 15.463 1.00 0.32 H new HETATM 0 HB CPC C 8 -2.707 -4.138 14.547 1.00 0.17 H new TER 621 CPC C 8 HETATM 622 N1 HQU C 0 1.295 -4.511 11.908 1.00 0.11 N HETATM 623 C2 HQU C 0 2.602 -4.810 11.823 1.00 0.11 C HETATM 624 C3 HQU C 0 3.142 -5.113 10.567 1.00 0.15 C HETATM 625 C4 HQU C 0 2.359 -5.101 9.448 1.00 0.13 C HETATM 626 C5 HQU C 0 0.114 -4.743 8.492 1.00 0.12 C HETATM 627 C6 HQU C 0 -1.236 -4.420 8.707 1.00 0.12 C HETATM 628 C7 HQU C 0 -1.707 -4.135 9.994 1.00 0.10 C HETATM 629 C8 HQU C 0 -0.831 -4.169 11.078 1.00 0.07 C HETATM 630 C9 HQU C 0 0.501 -4.489 10.837 1.00 0.07 C HETATM 631 C10 HQU C 0 1.022 -4.790 9.563 1.00 0.11 C HETATM 632 C HQU C 0 3.320 -4.777 13.022 1.00 0.10 C HETATM 633 O1 HQU C 0 4.520 -5.060 12.975 1.00 0.11 O HETATM 634 O3 HQU C 0 4.488 -5.420 10.452 1.00 0.22 O HETATM 0 HO3 HQU C 0 4.594 -6.386 10.326 1.00 0.22 H new HETATM 0 H8 HQU C 0 -1.180 -3.951 12.087 1.00 0.07 H new HETATM 0 H7 HQU C 0 -2.757 -3.887 10.148 1.00 0.10 H new HETATM 0 H6 HQU C 0 -1.924 -4.391 7.862 1.00 0.12 H new HETATM 0 H5 HQU C 0 0.461 -4.960 7.482 1.00 0.12 H new HETATM 0 H4 HQU C 0 2.788 -5.335 8.474 1.00 0.13 H new HETATM 641 N1 HQU C 9 -0.729 5.413 11.610 1.00 0.16 N HETATM 642 C2 HQU C 9 -2.029 5.666 11.403 1.00 0.15 C HETATM 643 C3 HQU C 9 -2.485 5.796 10.084 1.00 0.16 C HETATM 644 C4 HQU C 9 -1.625 5.670 9.032 1.00 0.20 C HETATM 645 C5 HQU C 9 0.672 5.263 8.282 1.00 0.23 C HETATM 646 C6 HQU C 9 2.007 5.007 8.622 1.00 0.28 C HETATM 647 C7 HQU C 9 2.394 4.895 9.965 1.00 0.28 C HETATM 648 C8 HQU C 9 1.445 5.037 10.985 1.00 0.21 C HETATM 649 C9 HQU C 9 0.134 5.284 10.610 1.00 0.15 C HETATM 650 C10 HQU C 9 -0.300 5.413 9.278 1.00 0.18 C HETATM 651 C HQU C 9 -2.821 5.777 12.549 1.00 0.22 C HETATM 652 O1 HQU C 9 -4.017 6.027 12.393 1.00 0.27 O HETATM 653 O3 HQU C 9 -3.822 6.041 9.827 1.00 0.26 O HETATM 0 HO3 HQU C 9 -3.957 7.001 9.683 1.00 0.26 H new HETATM 0 H8 HQU C 9 1.727 4.956 12.035 1.00 0.21 H new HETATM 0 H7 HQU C 9 3.436 4.697 10.216 1.00 0.28 H new HETATM 0 H6 HQU C 9 2.752 4.894 7.835 1.00 0.28 H new HETATM 0 H5 HQU C 9 0.388 5.346 7.233 1.00 0.23 H new HETATM 0 H4 HQU C 9 -1.986 5.772 8.009 1.00 0.20 H new