USER MOD reduce.3.24.130724 H: found=0, std=0, add=154, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 156 hydrogens (0 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 Single : A 1 G O2' : rot 8:sc= -1.42! USER MOD Single : A 2 G O2' : rot 180:sc= -1.49! USER MOD Single : A 3 G O2' : rot 180:sc= -1.44 USER MOD Single : A 4 U O2' : rot 7:sc= -1.55! USER MOD Single : A 5 G O2' : rot 6:sc= -2.85! USER MOD Single : A 6 U O2' : rot 165:sc= -3.42! USER MOD Single : A 7 A O2' : rot 24:sc= 0.281 USER MOD Single : A 7 A O3' : rot -175:sc= 0.242 USER MOD Single : B 17 A O2' : rot 5:sc= -3.38! USER MOD Single : B 18 G O2' : rot 1:sc= -1.28 USER MOD Single : B 19 C O2' : rot 3:sc= -0.9 USER MOD Single : B 20 A O2' : rot -1:sc= -1.22 USER MOD Single : B 21 C O2' : rot 180:sc= -1.4 USER MOD Single : B 22 C O2' : rot 180:sc= -1.1 USER MOD Single : B 23 C O2' : rot 34:sc= 0.216 USER MOD Single : B 23 C O3' : rot 37:sc= 0.173 USER MOD ----------------------------------------------------------------- ATOM 1 OP3 G A 1 -36.614 36.511-198.233 1.00 0.00 O ATOM 2 P G A 1 -37.030 37.969-197.688 1.00 0.00 P ATOM 3 OP1 G A 1 -35.791 38.728-197.404 1.00 0.00 O ATOM 4 OP2 G A 1 -38.047 38.533-198.603 1.00 0.00 O ATOM 5 O5' G A 1 -37.745 37.629-196.286 1.00 0.00 O ATOM 6 C5' G A 1 -38.503 36.426-196.131 1.00 0.00 C ATOM 7 C4' G A 1 -38.977 36.243-194.692 1.00 0.00 C ATOM 8 O4' G A 1 -37.850 36.031-193.841 1.00 0.00 O ATOM 9 C3' G A 1 -39.769 37.457-194.058 1.00 0.00 C ATOM 10 O3' G A 1 -41.179 37.363-194.282 1.00 0.00 O ATOM 11 C2' G A 1 -39.476 37.266-192.577 1.00 0.00 C ATOM 12 O2' G A 1 -40.461 36.433-191.956 1.00 0.00 O ATOM 13 C1' G A 1 -38.099 36.606-192.552 1.00 0.00 C ATOM 14 N9 G A 1 -36.996 37.541-192.264 1.00 0.00 N ATOM 15 C8 G A 1 -36.172 38.195-193.143 1.00 0.00 C ATOM 16 N7 G A 1 -35.289 38.963-192.571 1.00 0.00 N ATOM 17 C5 G A 1 -35.542 38.808-191.212 1.00 0.00 C ATOM 18 C6 G A 1 -34.895 39.400-190.093 1.00 0.00 C ATOM 19 O6 G A 1 -33.956 40.192-190.085 1.00 0.00 O ATOM 20 N1 G A 1 -35.460 38.977-188.896 1.00 0.00 N ATOM 21 C2 G A 1 -36.515 38.095-188.788 1.00 0.00 C ATOM 22 N2 G A 1 -36.919 37.809-187.549 1.00 0.00 N ATOM 23 N3 G A 1 -37.124 37.537-189.839 1.00 0.00 N ATOM 24 C4 G A 1 -36.586 37.939-191.014 1.00 0.00 C ATOM 0 H5' G A 1 -37.894 35.571-196.426 1.00 0.00 H new ATOM 0 H5'' G A 1 -39.364 36.449-196.798 1.00 0.00 H new ATOM 0 H4' G A 1 -39.663 35.398-194.753 1.00 0.00 H new ATOM 0 H3' G A 1 -39.475 38.420-194.476 1.00 0.00 H new ATOM 0 H2' G A 1 -39.498 38.205-192.024 1.00 0.00 H new ATOM 0 HO2' G A 1 -41.048 36.054-192.643 1.00 0.00 H new ATOM 0 H1' G A 1 -38.121 35.867-191.751 1.00 0.00 H new ATOM 0 H8 G A 1 -36.248 38.083-194.215 1.00 0.00 H new ATOM 0 H1 G A 1 -35.065 39.347-188.032 1.00 0.00 H new ATOM 0 H21 G A 1 -37.695 37.163-187.402 1.00 0.00 H new ATOM 0 H22 G A 1 -36.452 38.236-186.749 1.00 0.00 H new ATOM 37 P G A 2 -42.081 38.693-194.374 1.00 0.00 P ATOM 38 OP1 G A 2 -43.454 38.296-194.760 1.00 0.00 O ATOM 39 OP2 G A 2 -41.349 39.696-195.179 1.00 0.00 O ATOM 40 O5' G A 2 -42.114 39.200-192.846 1.00 0.00 O ATOM 41 C5' G A 2 -42.758 38.417-191.837 1.00 0.00 C ATOM 42 C4' G A 2 -42.539 39.006-190.447 1.00 0.00 C ATOM 43 O4' G A 2 -41.144 38.967-190.125 1.00 0.00 O ATOM 44 C3' G A 2 -42.921 40.506-190.212 1.00 0.00 C ATOM 45 O3' G A 2 -44.308 40.689-189.920 1.00 0.00 O ATOM 46 C2' G A 2 -42.093 40.833-188.982 1.00 0.00 C ATOM 47 O2' G A 2 -42.777 40.465-187.779 1.00 0.00 O ATOM 48 C1' G A 2 -40.834 40.001-189.183 1.00 0.00 C ATOM 49 N9 G A 2 -39.695 40.766-189.720 1.00 0.00 N ATOM 50 C8 G A 2 -39.277 40.881-191.020 1.00 0.00 C ATOM 51 N7 G A 2 -38.235 41.648-191.174 1.00 0.00 N ATOM 52 C5 G A 2 -37.939 42.075-189.884 1.00 0.00 C ATOM 53 C6 G A 2 -36.903 42.934-189.425 1.00 0.00 C ATOM 54 O6 G A 2 -36.031 43.497-190.083 1.00 0.00 O ATOM 55 N1 G A 2 -36.959 43.106-188.049 1.00 0.00 N ATOM 56 C2 G A 2 -37.893 42.526-187.215 1.00 0.00 C ATOM 57 N2 G A 2 -37.783 42.810-185.918 1.00 0.00 N ATOM 58 N3 G A 2 -38.866 41.719-187.645 1.00 0.00 N ATOM 59 C4 G A 2 -38.827 41.539-188.986 1.00 0.00 C ATOM 0 H5' G A 2 -42.374 37.397-191.866 1.00 0.00 H new ATOM 0 H5'' G A 2 -43.826 38.361-192.045 1.00 0.00 H new ATOM 0 H4' G A 2 -43.202 38.390-189.840 1.00 0.00 H new ATOM 0 H3' G A 2 -42.737 41.129-191.088 1.00 0.00 H new ATOM 0 H2' G A 2 -41.888 41.898-188.875 1.00 0.00 H new ATOM 0 HO2' G A 2 -42.219 40.687-187.005 1.00 0.00 H new ATOM 0 H1' G A 2 -40.537 39.623-188.205 1.00 0.00 H new ATOM 0 H8 G A 2 -39.767 40.381-191.842 1.00 0.00 H new ATOM 0 H1 G A 2 -36.255 43.708-187.621 1.00 0.00 H new ATOM 0 H21 G A 2 -38.444 42.412-185.251 1.00 0.00 H new ATOM 0 H22 G A 2 -37.038 43.426-185.592 1.00 0.00 H new ATOM 71 P G A 3 -45.025 42.098-190.229 1.00 0.00 P ATOM 72 OP1 G A 3 -46.475 41.945-189.979 1.00 0.00 O ATOM 73 OP2 G A 3 -44.549 42.581-191.544 1.00 0.00 O ATOM 74 O5' G A 3 -44.416 43.057-189.088 1.00 0.00 O ATOM 75 C5' G A 3 -44.700 42.812-187.709 1.00 0.00 C ATOM 76 C4' G A 3 -43.916 43.755-186.800 1.00 0.00 C ATOM 77 O4' G A 3 -42.514 43.514-186.952 1.00 0.00 O ATOM 78 C3' G A 3 -44.019 45.297-187.030 1.00 0.00 C ATOM 79 O3' G A 3 -45.179 45.843-186.396 1.00 0.00 O ATOM 80 C2' G A 3 -42.769 45.807-186.336 1.00 0.00 C ATOM 81 O2' G A 3 -43.006 46.056-184.947 1.00 0.00 O ATOM 82 C1' G A 3 -41.774 44.670-186.535 1.00 0.00 C ATOM 83 N9 G A 3 -40.757 44.943-187.567 1.00 0.00 N ATOM 84 C8 G A 3 -40.762 44.584-188.889 1.00 0.00 C ATOM 85 N7 G A 3 -39.713 44.987-189.550 1.00 0.00 N ATOM 86 C5 G A 3 -38.957 45.662-188.598 1.00 0.00 C ATOM 87 C6 G A 3 -37.704 46.321-188.731 1.00 0.00 C ATOM 88 O6 G A 3 -37.008 46.439-189.737 1.00 0.00 O ATOM 89 N1 G A 3 -37.290 46.875-187.528 1.00 0.00 N ATOM 90 C2 G A 3 -37.990 46.805-186.341 1.00 0.00 C ATOM 91 N2 G A 3 -37.428 47.399-185.288 1.00 0.00 N ATOM 92 N3 G A 3 -39.168 46.187-186.215 1.00 0.00 N ATOM 93 C4 G A 3 -39.588 45.641-187.380 1.00 0.00 C ATOM 0 H5' G A 3 -44.453 41.779-187.463 1.00 0.00 H new ATOM 0 H5'' G A 3 -45.768 42.936-187.529 1.00 0.00 H new ATOM 0 H4' G A 3 -44.371 43.527-185.836 1.00 0.00 H new ATOM 0 H3' G A 3 -44.098 45.568-188.083 1.00 0.00 H new ATOM 0 H2' G A 3 -42.417 46.758-186.737 1.00 0.00 H new ATOM 0 HO2' G A 3 -42.182 46.382-184.528 1.00 0.00 H new ATOM 0 H1' G A 3 -41.248 44.532-185.590 1.00 0.00 H new ATOM 0 H8 G A 3 -41.562 44.018-189.343 1.00 0.00 H new ATOM 0 H1 G A 3 -36.400 47.372-187.521 1.00 0.00 H new ATOM 0 H21 G A 3 -37.897 47.382-184.382 1.00 0.00 H new ATOM 0 H22 G A 3 -36.529 47.871-185.388 1.00 0.00 H new ATOM 105 P U A 4 -45.841 47.203-186.947 1.00 0.00 P ATOM 106 OP1 U A 4 -47.134 47.401-186.254 1.00 0.00 O ATOM 107 OP2 U A 4 -45.791 47.176-188.425 1.00 0.00 O ATOM 108 O5' U A 4 -44.813 48.327-186.426 1.00 0.00 O ATOM 109 C5' U A 4 -44.665 48.579-185.027 1.00 0.00 C ATOM 110 C4' U A 4 -43.604 49.641-184.755 1.00 0.00 C ATOM 111 O4' U A 4 -42.324 49.158-185.174 1.00 0.00 O ATOM 112 C3' U A 4 -43.721 51.022-185.488 1.00 0.00 C ATOM 113 O3' U A 4 -44.598 51.922-184.805 1.00 0.00 O ATOM 114 C2' U A 4 -42.295 51.537-185.406 1.00 0.00 C ATOM 115 O2' U A 4 -42.066 52.247-184.184 1.00 0.00 O ATOM 116 C1' U A 4 -41.461 50.263-185.474 1.00 0.00 C ATOM 117 N1 U A 4 -40.864 50.017-186.798 1.00 0.00 N ATOM 118 C2 U A 4 -39.672 50.655-187.088 1.00 0.00 C ATOM 119 O2 U A 4 -39.113 51.392-186.281 1.00 0.00 O ATOM 120 N3 U A 4 -39.145 50.413-188.344 1.00 0.00 N ATOM 121 C4 U A 4 -39.697 49.602-189.320 1.00 0.00 C ATOM 122 O4 U A 4 -39.140 49.460-190.407 1.00 0.00 O ATOM 123 C5 U A 4 -40.940 48.975-188.930 1.00 0.00 C ATOM 124 C6 U A 4 -41.476 49.196-187.705 1.00 0.00 C ATOM 0 H5' U A 4 -44.394 47.655-184.517 1.00 0.00 H new ATOM 0 H5'' U A 4 -45.619 48.903-184.613 1.00 0.00 H new ATOM 0 H4' U A 4 -43.746 49.815-183.688 1.00 0.00 H new ATOM 0 H3' U A 4 -44.125 50.934-186.496 1.00 0.00 H new ATOM 0 H2' U A 4 -42.052 52.248-186.196 1.00 0.00 H new ATOM 0 HO2' U A 4 -42.852 52.163-183.605 1.00 0.00 H new ATOM 0 H1' U A 4 -40.642 50.375-184.764 1.00 0.00 H new ATOM 0 H3 U A 4 -38.266 50.877-188.572 1.00 0.00 H new ATOM 0 H5 U A 4 -41.448 48.322-189.624 1.00 0.00 H new ATOM 0 H6 U A 4 -42.405 48.714-187.439 1.00 0.00 H new ATOM 135 P G A 5 -45.380 53.071-185.618 1.00 0.00 P ATOM 136 OP1 G A 5 -46.307 53.751-184.686 1.00 0.00 O ATOM 137 OP2 G A 5 -45.897 52.477-186.872 1.00 0.00 O ATOM 138 O5' G A 5 -44.201 54.097-185.996 1.00 0.00 O ATOM 139 C5' G A 5 -43.497 54.802-184.970 1.00 0.00 C ATOM 140 C4' G A 5 -42.342 55.618-185.541 1.00 0.00 C ATOM 141 O4' G A 5 -41.379 54.733-186.114 1.00 0.00 O ATOM 142 C3' G A 5 -42.633 56.644-186.699 1.00 0.00 C ATOM 143 O3' G A 5 -43.058 57.920-186.209 1.00 0.00 O ATOM 144 C2' G A 5 -41.250 56.779-187.330 1.00 0.00 C ATOM 145 O2' G A 5 -40.515 57.856-186.739 1.00 0.00 O ATOM 146 C1' G A 5 -40.579 55.440-187.060 1.00 0.00 C ATOM 147 N9 G A 5 -40.448 54.587-188.255 1.00 0.00 N ATOM 148 C8 G A 5 -41.266 53.572-188.675 1.00 0.00 C ATOM 149 N7 G A 5 -40.877 53.002-189.781 1.00 0.00 N ATOM 150 C5 G A 5 -39.715 53.689-190.121 1.00 0.00 C ATOM 151 C6 G A 5 -38.846 53.513-191.232 1.00 0.00 C ATOM 152 O6 G A 5 -38.936 52.700-192.148 1.00 0.00 O ATOM 153 N1 G A 5 -37.790 54.414-191.198 1.00 0.00 N ATOM 154 C2 G A 5 -37.592 55.365-190.220 1.00 0.00 C ATOM 155 N2 G A 5 -36.518 56.142-190.360 1.00 0.00 N ATOM 156 N3 G A 5 -38.408 55.532-189.175 1.00 0.00 N ATOM 157 C4 G A 5 -39.445 54.661-189.191 1.00 0.00 C ATOM 0 H5' G A 5 -43.114 54.092-184.237 1.00 0.00 H new ATOM 0 H5'' G A 5 -44.185 55.463-184.444 1.00 0.00 H new ATOM 0 H4' G A 5 -42.035 56.194-184.668 1.00 0.00 H new ATOM 0 H3' G A 5 -43.430 56.315-187.366 1.00 0.00 H new ATOM 0 H2' G A 5 -41.301 57.008-188.394 1.00 0.00 H new ATOM 0 HO2' G A 5 -41.023 58.225-185.987 1.00 0.00 H new ATOM 0 H1' G A 5 -39.572 55.654-186.702 1.00 0.00 H new ATOM 0 H8 G A 5 -42.153 53.271-188.138 1.00 0.00 H new ATOM 0 H1 G A 5 -37.108 54.369-191.955 1.00 0.00 H new ATOM 0 H21 G A 5 -36.318 56.865-189.668 1.00 0.00 H new ATOM 0 H22 G A 5 -35.897 56.014-191.159 1.00 0.00 H new ATOM 169 P U A 6 -44.008 58.862-187.104 1.00 0.00 P ATOM 170 OP1 U A 6 -44.392 60.038-186.294 1.00 0.00 O ATOM 171 OP2 U A 6 -45.055 58.014-187.718 1.00 0.00 O ATOM 172 O5' U A 6 -43.014 59.355-188.269 1.00 0.00 O ATOM 173 C5' U A 6 -41.871 60.157-187.958 1.00 0.00 C ATOM 174 C4' U A 6 -41.133 60.590-189.221 1.00 0.00 C ATOM 175 O4' U A 6 -40.540 59.444-189.840 1.00 0.00 O ATOM 176 C3' U A 6 -42.042 61.273-190.268 1.00 0.00 C ATOM 177 O3' U A 6 -41.354 62.402-190.812 1.00 0.00 O ATOM 178 C2' U A 6 -42.216 60.218-191.350 1.00 0.00 C ATOM 179 O2' U A 6 -42.264 60.815-192.651 1.00 0.00 O ATOM 180 C1' U A 6 -40.989 59.332-191.193 1.00 0.00 C ATOM 181 N1 U A 6 -41.242 57.904-191.461 1.00 0.00 N ATOM 182 C2 U A 6 -40.478 57.294-192.439 1.00 0.00 C ATOM 183 O2 U A 6 -39.617 57.903-193.070 1.00 0.00 O ATOM 184 N3 U A 6 -40.738 55.956-192.668 1.00 0.00 N ATOM 185 C4 U A 6 -41.683 55.183-192.013 1.00 0.00 C ATOM 186 O4 U A 6 -41.828 53.996-192.297 1.00 0.00 O ATOM 187 C5 U A 6 -42.434 55.901-191.008 1.00 0.00 C ATOM 188 C6 U A 6 -42.197 57.213-190.766 1.00 0.00 C ATOM 0 H5' U A 6 -41.194 59.595-187.315 1.00 0.00 H new ATOM 0 H5'' U A 6 -42.185 61.038-187.398 1.00 0.00 H new ATOM 0 H4' U A 6 -40.388 61.318-188.901 1.00 0.00 H new ATOM 0 H3' U A 6 -42.991 61.617-189.856 1.00 0.00 H new ATOM 0 H2' U A 6 -43.149 59.663-191.251 1.00 0.00 H new ATOM 0 HO2' U A 6 -42.138 60.123-193.333 1.00 0.00 H new ATOM 0 H1' U A 6 -40.255 59.672-191.924 1.00 0.00 H new ATOM 0 H3 U A 6 -40.182 55.494-193.387 1.00 0.00 H new ATOM 0 H5 U A 6 -43.195 55.384-190.442 1.00 0.00 H new ATOM 0 H6 U A 6 -42.774 57.724-190.009 1.00 0.00 H new ATOM 199 P A A 7 -42.112 63.415-191.805 1.00 0.00 P ATOM 200 OP1 A A 7 -41.498 64.753-191.659 1.00 0.00 O ATOM 201 OP2 A A 7 -43.570 63.246-191.615 1.00 0.00 O ATOM 202 O5' A A 7 -41.722 62.837-193.256 1.00 0.00 O ATOM 203 C5' A A 7 -40.359 62.818-193.686 1.00 0.00 C ATOM 204 C4' A A 7 -40.206 62.116-195.032 1.00 0.00 C ATOM 205 O4' A A 7 -40.472 60.725-194.873 1.00 0.00 O ATOM 206 C3' A A 7 -41.150 62.651-196.121 1.00 0.00 C ATOM 207 O3' A A 7 -40.418 63.312-197.159 1.00 0.00 O ATOM 208 C2' A A 7 -41.869 61.413-196.658 1.00 0.00 C ATOM 209 O2' A A 7 -41.826 61.370-198.088 1.00 0.00 O ATOM 210 C1' A A 7 -41.108 60.244-196.051 1.00 0.00 C ATOM 211 N9 A A 7 -41.963 59.103-195.670 1.00 0.00 N ATOM 212 C8 A A 7 -43.101 59.097-194.907 1.00 0.00 C ATOM 213 N7 A A 7 -43.633 57.914-194.759 1.00 0.00 N ATOM 214 C5 A A 7 -42.784 57.077-195.477 1.00 0.00 C ATOM 215 C6 A A 7 -42.794 55.692-195.717 1.00 0.00 C ATOM 216 N6 A A 7 -43.730 54.875-195.236 1.00 0.00 N ATOM 217 N1 A A 7 -41.802 55.191-196.471 1.00 0.00 N ATOM 218 C2 A A 7 -40.873 56.010-196.948 1.00 0.00 C ATOM 219 N3 A A 7 -40.756 57.319-196.795 1.00 0.00 N ATOM 220 C4 A A 7 -41.763 57.794-196.035 1.00 0.00 C ATOM 0 H5' A A 7 -39.748 62.311-192.939 1.00 0.00 H new ATOM 0 H5'' A A 7 -39.987 63.840-193.763 1.00 0.00 H new ATOM 0 H4' A A 7 -39.183 62.307-195.356 1.00 0.00 H new ATOM 0 H3' A A 7 -41.847 63.392-195.730 1.00 0.00 H new ATOM 0 H2' A A 7 -42.927 61.401-196.395 1.00 0.00 H new ATOM 0 HO2' A A 7 -41.061 61.893-198.408 1.00 0.00 H new ATOM 0 HO3' A A 7 -41.045 63.711-197.798 1.00 0.00 H new ATOM 0 H1' A A 7 -40.413 59.877-196.806 1.00 0.00 H new ATOM 0 H8 A A 7 -43.520 59.990-194.468 1.00 0.00 H new ATOM 0 H61 A A 7 -43.690 53.877-195.441 1.00 0.00 H new ATOM 0 H62 A A 7 -44.487 55.248-194.663 1.00 0.00 H new ATOM 0 H2 A A 7 -40.104 55.542-197.545 1.00 0.00 H new TER 233 A A 7 ATOM 234 OP3 A B 17 -42.662 49.886-202.853 1.00 0.00 O ATOM 235 P A B 17 -41.218 49.185-202.729 1.00 0.00 P ATOM 236 OP1 A B 17 -41.100 48.605-201.371 1.00 0.00 O ATOM 237 OP2 A B 17 -41.014 48.327-203.917 1.00 0.00 O ATOM 238 O5' A B 17 -40.210 50.436-202.831 1.00 0.00 O ATOM 239 C5' A B 17 -39.534 50.725-204.058 1.00 0.00 C ATOM 240 C4' A B 17 -38.741 52.025-203.966 1.00 0.00 C ATOM 241 O4' A B 17 -39.646 53.118-203.788 1.00 0.00 O ATOM 242 C3' A B 17 -37.747 52.175-202.793 1.00 0.00 C ATOM 243 O3' A B 17 -36.462 51.661-203.148 1.00 0.00 O ATOM 244 C2' A B 17 -37.656 53.683-202.603 1.00 0.00 C ATOM 245 O2' A B 17 -36.552 54.232-203.332 1.00 0.00 O ATOM 246 C1' A B 17 -38.982 54.202-203.136 1.00 0.00 C ATOM 247 N9 A B 17 -39.887 54.712-202.090 1.00 0.00 N ATOM 248 C8 A B 17 -40.931 54.075-201.471 1.00 0.00 C ATOM 249 N7 A B 17 -41.542 54.805-200.580 1.00 0.00 N ATOM 250 C5 A B 17 -40.854 56.014-200.611 1.00 0.00 C ATOM 251 C6 A B 17 -41.011 57.213-199.898 1.00 0.00 C ATOM 252 N6 A B 17 -41.954 57.396-198.976 1.00 0.00 N ATOM 253 N1 A B 17 -40.155 58.212-200.178 1.00 0.00 N ATOM 254 C2 A B 17 -39.218 58.024-201.098 1.00 0.00 C ATOM 255 N3 A B 17 -38.971 56.948-201.831 1.00 0.00 N ATOM 256 C4 A B 17 -39.844 55.965-201.528 1.00 0.00 C ATOM 0 H5' A B 17 -40.261 50.797-204.867 1.00 0.00 H new ATOM 0 H5'' A B 17 -38.861 49.904-204.306 1.00 0.00 H new ATOM 0 H4' A B 17 -38.168 52.015-204.893 1.00 0.00 H new ATOM 0 H3' A B 17 -38.066 51.636-201.901 1.00 0.00 H new ATOM 0 H2' A B 17 -37.486 53.964-201.564 1.00 0.00 H new ATOM 0 HO2' A B 17 -36.127 53.526-203.862 1.00 0.00 H new ATOM 0 H1' A B 17 -38.754 55.034-203.802 1.00 0.00 H new ATOM 0 H8 A B 17 -41.221 53.060-201.701 1.00 0.00 H new ATOM 0 H61 A B 17 -42.023 58.289-198.487 1.00 0.00 H new ATOM 0 H62 A B 17 -42.607 56.643-198.758 1.00 0.00 H new ATOM 0 H2 A B 17 -38.565 58.866-201.274 1.00 0.00 H new ATOM 269 P G B 18 -35.480 51.066-202.020 1.00 0.00 P ATOM 270 OP1 G B 18 -34.292 50.495-202.694 1.00 0.00 O ATOM 271 OP2 G B 18 -36.284 50.228-201.102 1.00 0.00 O ATOM 272 O5' G B 18 -35.020 52.388-201.224 1.00 0.00 O ATOM 273 C5' G B 18 -34.255 53.399-201.882 1.00 0.00 C ATOM 274 C4' G B 18 -33.943 54.562-200.946 1.00 0.00 C ATOM 275 O4' G B 18 -35.159 55.198-200.553 1.00 0.00 O ATOM 276 C3' G B 18 -33.243 54.207-199.579 1.00 0.00 C ATOM 277 O3' G B 18 -31.819 54.144-199.703 1.00 0.00 O ATOM 278 C2' G B 18 -33.631 55.397-198.717 1.00 0.00 C ATOM 279 O2' G B 18 -32.680 56.461-198.838 1.00 0.00 O ATOM 280 C1' G B 18 -34.994 55.806-199.265 1.00 0.00 C ATOM 281 N9 G B 18 -36.124 55.376-198.421 1.00 0.00 N ATOM 282 C8 G B 18 -36.934 54.280-198.565 1.00 0.00 C ATOM 283 N7 G B 18 -37.846 54.171-197.640 1.00 0.00 N ATOM 284 C5 G B 18 -37.625 55.275-196.821 1.00 0.00 C ATOM 285 C6 G B 18 -38.310 55.688-195.647 1.00 0.00 C ATOM 286 O6 G B 18 -39.264 55.148-195.090 1.00 0.00 O ATOM 287 N1 G B 18 -37.769 56.857-195.128 1.00 0.00 N ATOM 288 C2 G B 18 -36.703 57.545-195.669 1.00 0.00 C ATOM 289 N2 G B 18 -36.326 58.651-195.026 1.00 0.00 N ATOM 290 N3 G B 18 -36.059 57.158-196.773 1.00 0.00 N ATOM 291 C4 G B 18 -36.572 56.018-197.293 1.00 0.00 C ATOM 0 H5' G B 18 -34.804 53.766-202.749 1.00 0.00 H new ATOM 0 H5'' G B 18 -33.324 52.969-202.253 1.00 0.00 H new ATOM 0 H4' G B 18 -33.258 55.169-201.538 1.00 0.00 H new ATOM 0 H3' G B 18 -33.542 53.234-199.189 1.00 0.00 H new ATOM 0 H2' G B 18 -33.658 55.157-197.654 1.00 0.00 H new ATOM 0 HO2' G B 18 -31.974 56.199-199.465 1.00 0.00 H new ATOM 0 H1' G B 18 -35.008 56.895-199.302 1.00 0.00 H new ATOM 0 H8 G B 18 -36.826 53.571-199.372 1.00 0.00 H new ATOM 0 H1 G B 18 -38.193 57.236-194.281 1.00 0.00 H new ATOM 0 H21 G B 18 -35.544 59.203-195.377 1.00 0.00 H new ATOM 0 H22 G B 18 -36.820 58.944-194.183 1.00 0.00 H new ATOM 303 P C B 19 -30.967 53.163-198.756 1.00 0.00 P ATOM 304 OP1 C B 19 -29.551 53.218-199.186 1.00 0.00 O ATOM 305 OP2 C B 19 -31.668 51.861-198.688 1.00 0.00 O ATOM 306 O5' C B 19 -31.087 53.876-197.319 1.00 0.00 O ATOM 307 C5' C B 19 -30.499 55.161-197.099 1.00 0.00 C ATOM 308 C4' C B 19 -30.844 55.710-195.718 1.00 0.00 C ATOM 309 O4' C B 19 -32.254 55.926-195.622 1.00 0.00 O ATOM 310 C3' C B 19 -30.516 54.800-194.477 1.00 0.00 C ATOM 311 O3' C B 19 -29.164 54.934-194.026 1.00 0.00 O ATOM 312 C2' C B 19 -31.462 55.367-193.434 1.00 0.00 C ATOM 313 O2' C B 19 -30.876 56.480-192.748 1.00 0.00 O ATOM 314 C1' C B 19 -32.673 55.795-194.255 1.00 0.00 C ATOM 315 N1 C B 19 -33.785 54.825-194.221 1.00 0.00 N ATOM 316 C2 C B 19 -34.664 54.903-193.153 1.00 0.00 C ATOM 317 O2 C B 19 -34.510 55.762-192.289 1.00 0.00 O ATOM 318 N3 C B 19 -35.688 54.008-193.095 1.00 0.00 N ATOM 319 C4 C B 19 -35.843 53.077-194.046 1.00 0.00 C ATOM 320 N4 C B 19 -36.855 52.216-193.958 1.00 0.00 N ATOM 321 C5 C B 19 -34.938 52.996-195.151 1.00 0.00 C ATOM 322 C6 C B 19 -33.928 53.886-195.199 1.00 0.00 C ATOM 0 H5' C B 19 -30.846 55.856-197.864 1.00 0.00 H new ATOM 0 H5'' C B 19 -29.416 55.088-197.202 1.00 0.00 H new ATOM 0 H4' C B 19 -30.219 56.601-195.662 1.00 0.00 H new ATOM 0 H3' C B 19 -30.631 53.738-194.694 1.00 0.00 H new ATOM 0 H2' C B 19 -31.711 54.650-192.651 1.00 0.00 H new ATOM 0 HO2' C B 19 -29.995 56.674-193.131 1.00 0.00 H new ATOM 0 H1' C B 19 -33.039 56.727-193.825 1.00 0.00 H new ATOM 0 H41 C B 19 -36.982 51.503-194.677 1.00 0.00 H new ATOM 0 H42 C B 19 -37.503 52.269-193.172 1.00 0.00 H new ATOM 0 H5 C B 19 -35.060 52.247-195.920 1.00 0.00 H new ATOM 0 H6 C B 19 -33.226 53.855-196.019 1.00 0.00 H new ATOM 334 P A B 20 -28.438 53.717-193.265 1.00 0.00 P ATOM 335 OP1 A B 20 -27.014 54.075-193.071 1.00 0.00 O ATOM 336 OP2 A B 20 -28.793 52.458-193.959 1.00 0.00 O ATOM 337 O5' A B 20 -29.160 53.722-191.828 1.00 0.00 O ATOM 338 C5' A B 20 -28.977 54.819-190.930 1.00 0.00 C ATOM 339 C4' A B 20 -29.844 54.676-189.683 1.00 0.00 C ATOM 340 O4' A B 20 -31.225 54.732-190.049 1.00 0.00 O ATOM 341 C3' A B 20 -29.755 53.340-188.865 1.00 0.00 C ATOM 342 O3' A B 20 -28.659 53.337-187.944 1.00 0.00 O ATOM 343 C2' A B 20 -31.066 53.355-188.098 1.00 0.00 C ATOM 344 O2' A B 20 -30.938 54.061-186.859 1.00 0.00 O ATOM 345 C1' A B 20 -32.017 54.071-189.050 1.00 0.00 C ATOM 346 N9 A B 20 -32.950 53.167-189.747 1.00 0.00 N ATOM 347 C8 A B 20 -32.832 52.602-190.991 1.00 0.00 C ATOM 348 N7 A B 20 -33.830 51.826-191.314 1.00 0.00 N ATOM 349 C5 A B 20 -34.668 51.882-190.206 1.00 0.00 C ATOM 350 C6 A B 20 -35.901 51.276-189.916 1.00 0.00 C ATOM 351 N6 A B 20 -36.527 50.457-190.762 1.00 0.00 N ATOM 352 N1 A B 20 -36.458 51.548-188.724 1.00 0.00 N ATOM 353 C2 A B 20 -35.828 52.363-187.886 1.00 0.00 C ATOM 354 N3 A B 20 -34.672 52.990-188.042 1.00 0.00 N ATOM 355 C4 A B 20 -34.139 52.698-189.247 1.00 0.00 C ATOM 0 H5' A B 20 -29.222 55.751-191.439 1.00 0.00 H new ATOM 0 H5'' A B 20 -27.928 54.881-190.639 1.00 0.00 H new ATOM 0 H4' A B 20 -29.460 55.485-189.061 1.00 0.00 H new ATOM 0 H3' A B 20 -29.599 52.469-189.501 1.00 0.00 H new ATOM 0 H2' A B 20 -31.410 52.358-187.822 1.00 0.00 H new ATOM 0 HO2' A B 20 -30.015 54.373-186.754 1.00 0.00 H new ATOM 0 H1' A B 20 -32.615 54.757-188.451 1.00 0.00 H new ATOM 0 H8 A B 20 -31.990 52.783-191.643 1.00 0.00 H new ATOM 0 H61 A B 20 -37.422 50.042-190.502 1.00 0.00 H new ATOM 0 H62 A B 20 -36.111 50.245-191.669 1.00 0.00 H new ATOM 0 H2 A B 20 -36.329 52.539-186.945 1.00 0.00 H new ATOM 367 P C B 21 -27.954 51.952-187.522 1.00 0.00 P ATOM 368 OP1 C B 21 -26.782 52.268-186.677 1.00 0.00 O ATOM 369 OP2 C B 21 -27.785 51.128-188.740 1.00 0.00 O ATOM 370 O5' C B 21 -29.073 51.258-186.595 1.00 0.00 O ATOM 371 C5' C B 21 -29.431 51.839-185.337 1.00 0.00 C ATOM 372 C4' C B 21 -30.549 51.057-184.654 1.00 0.00 C ATOM 373 O4' C B 21 -31.739 51.128-185.444 1.00 0.00 O ATOM 374 C3' C B 21 -30.364 49.522-184.454 1.00 0.00 C ATOM 375 O3' C B 21 -29.617 49.223-183.271 1.00 0.00 O ATOM 376 C2' C B 21 -31.791 49.029-184.297 1.00 0.00 C ATOM 377 O2' C B 21 -32.199 49.041-182.925 1.00 0.00 O ATOM 378 C1' C B 21 -32.597 50.023-185.127 1.00 0.00 C ATOM 379 N1 C B 21 -33.098 49.467-186.397 1.00 0.00 N ATOM 380 C2 C B 21 -34.282 48.747-186.358 1.00 0.00 C ATOM 381 O2 C B 21 -34.880 48.602-185.293 1.00 0.00 O ATOM 382 N3 C B 21 -34.752 48.215-187.519 1.00 0.00 N ATOM 383 C4 C B 21 -34.089 48.383-188.671 1.00 0.00 C ATOM 384 N4 C B 21 -34.575 47.849-189.790 1.00 0.00 N ATOM 385 C5 C B 21 -32.868 49.127-188.715 1.00 0.00 C ATOM 386 C6 C B 21 -32.410 49.648-187.562 1.00 0.00 C ATOM 0 H5' C B 21 -29.749 52.871-185.489 1.00 0.00 H new ATOM 0 H5'' C B 21 -28.557 51.867-184.687 1.00 0.00 H new ATOM 0 H4' C B 21 -30.571 51.532-183.673 1.00 0.00 H new ATOM 0 H3' C B 21 -29.815 49.061-185.275 1.00 0.00 H new ATOM 0 H2' C B 21 -31.924 47.997-184.623 1.00 0.00 H new ATOM 0 HO2' C B 21 -33.122 48.719-182.855 1.00 0.00 H new ATOM 0 H1' C B 21 -33.465 50.308-184.533 1.00 0.00 H new ATOM 0 H41 C B 21 -34.077 47.972-190.672 1.00 0.00 H new ATOM 0 H42 C B 21 -35.445 47.317-189.765 1.00 0.00 H new ATOM 0 H5 C B 21 -32.332 49.266-189.642 1.00 0.00 H new ATOM 0 H6 C B 21 -31.490 50.214-187.558 1.00 0.00 H new ATOM 398 P C B 22 -28.745 47.872-183.176 1.00 0.00 P ATOM 399 OP1 C B 22 -27.950 47.922-181.930 1.00 0.00 O ATOM 400 OP2 C B 22 -28.068 47.664-184.476 1.00 0.00 O ATOM 401 O5' C B 22 -29.875 46.738-183.010 1.00 0.00 O ATOM 402 C5' C B 22 -30.677 46.684-181.827 1.00 0.00 C ATOM 403 C4' C B 22 -31.778 45.633-181.942 1.00 0.00 C ATOM 404 O4' C B 22 -32.683 45.997-182.985 1.00 0.00 O ATOM 405 C3' C B 22 -31.392 44.173-182.322 1.00 0.00 C ATOM 406 O3' C B 22 -31.013 43.420-181.167 1.00 0.00 O ATOM 407 C2' C B 22 -32.672 43.602-182.908 1.00 0.00 C ATOM 408 O2' C B 22 -33.441 42.916-181.914 1.00 0.00 O ATOM 409 C1' C B 22 -33.406 44.836-183.424 1.00 0.00 C ATOM 410 N1 C B 22 -33.500 44.897-184.895 1.00 0.00 N ATOM 411 C2 C B 22 -34.547 44.217-185.494 1.00 0.00 C ATOM 412 O2 C B 22 -35.355 43.598-184.804 1.00 0.00 O ATOM 413 N3 C B 22 -34.644 44.247-186.851 1.00 0.00 N ATOM 414 C4 C B 22 -33.749 44.918-187.590 1.00 0.00 C ATOM 415 N4 C B 22 -33.872 44.924-188.917 1.00 0.00 N ATOM 416 C5 C B 22 -32.667 45.623-186.974 1.00 0.00 C ATOM 417 C6 C B 22 -32.581 45.587-185.630 1.00 0.00 C ATOM 0 H5' C B 22 -31.124 47.661-181.645 1.00 0.00 H new ATOM 0 H5'' C B 22 -30.045 46.457-180.968 1.00 0.00 H new ATOM 0 H4' C B 22 -32.159 45.626-180.921 1.00 0.00 H new ATOM 0 H3' C B 22 -30.544 44.137-183.006 1.00 0.00 H new ATOM 0 H2' C B 22 -32.488 42.862-183.686 1.00 0.00 H new ATOM 0 HO2' C B 22 -34.259 42.561-182.321 1.00 0.00 H new ATOM 0 H1' C B 22 -34.423 44.791-183.034 1.00 0.00 H new ATOM 0 H41 C B 22 -33.197 45.431-189.489 1.00 0.00 H new ATOM 0 H42 C B 22 -34.641 44.421-189.360 1.00 0.00 H new ATOM 0 H5 C B 22 -31.944 46.165-187.566 1.00 0.00 H new ATOM 0 H6 C B 22 -31.778 46.109-185.130 1.00 0.00 H new ATOM 429 P C B 23 -30.067 42.125-181.310 1.00 0.00 P ATOM 430 OP1 C B 23 -29.427 41.873-179.999 1.00 0.00 O ATOM 431 OP2 C B 23 -29.230 42.294-182.520 1.00 0.00 O ATOM 432 O5' C B 23 -31.127 40.947-181.590 1.00 0.00 O ATOM 433 C5' C B 23 -32.092 40.590-180.597 1.00 0.00 C ATOM 434 C4' C B 23 -32.919 39.382-181.028 1.00 0.00 C ATOM 435 O4' C B 23 -33.784 39.759-182.099 1.00 0.00 O ATOM 436 C3' C B 23 -32.085 38.181-181.482 1.00 0.00 C ATOM 437 O3' C B 23 -32.473 37.002-180.769 1.00 0.00 O ATOM 438 C2' C B 23 -32.364 38.042-182.973 1.00 0.00 C ATOM 439 O2' C B 23 -32.578 36.673-183.329 1.00 0.00 O ATOM 440 C1' C B 23 -33.621 38.873-183.208 1.00 0.00 C ATOM 441 N1 C B 23 -33.574 39.696-184.433 1.00 0.00 N ATOM 442 C2 C B 23 -34.556 39.477-185.386 1.00 0.00 C ATOM 443 O2 C B 23 -35.396 38.597-185.213 1.00 0.00 O ATOM 444 N3 C B 23 -34.534 40.229-186.521 1.00 0.00 N ATOM 445 C4 C B 23 -33.588 41.158-186.712 1.00 0.00 C ATOM 446 N4 C B 23 -33.594 41.879-187.835 1.00 0.00 N ATOM 447 C5 C B 23 -32.572 41.387-185.731 1.00 0.00 C ATOM 448 C6 C B 23 -32.602 40.638-184.612 1.00 0.00 C ATOM 0 H5' C B 23 -32.753 41.436-180.410 1.00 0.00 H new ATOM 0 H5'' C B 23 -31.584 40.368-179.658 1.00 0.00 H new ATOM 0 H4' C B 23 -33.475 39.068-180.144 1.00 0.00 H new ATOM 0 H3' C B 23 -31.022 38.320-181.286 1.00 0.00 H new ATOM 0 H2' C B 23 -31.527 38.382-183.583 1.00 0.00 H new ATOM 0 HO2' C B 23 -33.025 36.209-182.591 1.00 0.00 H new ATOM 0 HO3' C B 23 -33.442 37.011-180.625 1.00 0.00 H new ATOM 0 H1' C B 23 -34.446 38.170-183.320 1.00 0.00 H new ATOM 0 H41 C B 23 -32.878 42.589-187.989 1.00 0.00 H new ATOM 0 H42 C B 23 -34.315 41.720-188.539 1.00 0.00 H new ATOM 0 H5 C B 23 -31.807 42.135-185.883 1.00 0.00 H new ATOM 0 H6 C B 23 -31.851 40.784-183.850 1.00 0.00 H new TER 461 C B 23