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 7:sc= -1.33 USER MOD Single : A 2 G O2' : rot 180:sc= -1.6! USER MOD Single : A 3 G O2' : rot -150:sc= -1.94! USER MOD Single : A 4 U O2' : rot 8:sc= -1.97! USER MOD Single : A 5 G O2' : rot 9:sc= -2.7! USER MOD Single : A 6 U O2' : rot -146:sc= -4.64! USER MOD Single : A 7 A O2' : rot 29:sc= 0.229 USER MOD Single : A 7 A O3' : rot -177:sc= 0.211 USER MOD Single : B 17 A O2' : rot 3:sc= -2.63! USER MOD Single : B 18 G O2' : rot 1:sc= -1.33 USER MOD Single : B 19 C O2' : rot 5:sc= -0.964 USER MOD Single : B 20 A O2' : rot -1:sc= -1.4! USER MOD Single : B 21 C O2' : rot 180:sc= -1.49! USER MOD Single : B 22 C O2' : rot -126:sc= -0.818 USER MOD Single : B 23 C O2' : rot 180:sc= 0.00103 USER MOD Single : B 23 C O3' : rot 127:sc= 0.355 USER MOD ----------------------------------------------------------------- ATOM 1 OP3 G A 1 -35.700 38.011-196.984 1.00 0.00 O ATOM 2 P G A 1 -37.148 37.451-197.410 1.00 0.00 P ATOM 3 OP1 G A 1 -37.890 38.544-198.077 1.00 0.00 O ATOM 4 OP2 G A 1 -36.959 36.157-198.103 1.00 0.00 O ATOM 5 O5' G A 1 -37.847 37.164-195.987 1.00 0.00 O ATOM 6 C5' G A 1 -38.613 35.973-195.779 1.00 0.00 C ATOM 7 C4' G A 1 -39.067 35.847-194.327 1.00 0.00 C ATOM 8 O4' G A 1 -37.929 35.660-193.483 1.00 0.00 O ATOM 9 C3' G A 1 -39.836 37.085-193.727 1.00 0.00 C ATOM 10 O3' G A 1 -41.247 37.002-193.945 1.00 0.00 O ATOM 11 C2' G A 1 -39.540 36.934-192.243 1.00 0.00 C ATOM 12 O2' G A 1 -40.521 36.116-191.597 1.00 0.00 O ATOM 13 C1' G A 1 -38.163 36.277-192.210 1.00 0.00 C ATOM 14 N9 G A 1 -37.057 37.220-191.963 1.00 0.00 N ATOM 15 C8 G A 1 -36.243 37.846-192.871 1.00 0.00 C ATOM 16 N7 G A 1 -35.354 38.631-192.330 1.00 0.00 N ATOM 17 C5 G A 1 -35.594 38.519-190.964 1.00 0.00 C ATOM 18 C6 G A 1 -34.937 39.144-189.870 1.00 0.00 C ATOM 19 O6 G A 1 -33.996 39.935-189.895 1.00 0.00 O ATOM 20 N1 G A 1 -35.491 38.757-188.656 1.00 0.00 N ATOM 21 C2 G A 1 -36.544 37.879-188.511 1.00 0.00 C ATOM 22 N2 G A 1 -36.938 37.628-187.263 1.00 0.00 N ATOM 23 N3 G A 1 -37.162 37.291-189.539 1.00 0.00 N ATOM 24 C4 G A 1 -36.635 37.656-190.730 1.00 0.00 C ATOM 0 H5' G A 1 -38.016 35.103-196.052 1.00 0.00 H new ATOM 0 H5'' G A 1 -39.484 35.980-196.434 1.00 0.00 H new ATOM 0 H4' G A 1 -39.759 35.005-194.350 1.00 0.00 H new ATOM 0 H3' G A 1 -39.531 38.032-194.172 1.00 0.00 H new ATOM 0 H2' G A 1 -39.564 37.886-191.713 1.00 0.00 H new ATOM 0 HO2' G A 1 -41.123 35.735-192.270 1.00 0.00 H new ATOM 0 H1' G A 1 -38.175 35.565-191.385 1.00 0.00 H new ATOM 0 H8 G A 1 -36.330 37.702-193.938 1.00 0.00 H new ATOM 0 H1 G A 1 -35.088 39.153-187.807 1.00 0.00 H new ATOM 0 H21 G A 1 -37.712 36.987-187.092 1.00 0.00 H new ATOM 0 H22 G A 1 -36.465 38.077-186.479 1.00 0.00 H new ATOM 37 P G A 2 -42.133 38.340-194.075 1.00 0.00 P ATOM 38 OP1 G A 2 -43.513 37.946-194.442 1.00 0.00 O ATOM 39 OP2 G A 2 -41.393 39.305-194.918 1.00 0.00 O ATOM 40 O5' G A 2 -42.152 38.898-192.567 1.00 0.00 O ATOM 41 C5' G A 2 -42.798 38.156-191.527 1.00 0.00 C ATOM 42 C4' G A 2 -42.567 38.793-190.160 1.00 0.00 C ATOM 43 O4' G A 2 -41.173 38.755-189.841 1.00 0.00 O ATOM 44 C3' G A 2 -42.941 40.304-189.979 1.00 0.00 C ATOM 45 O3' G A 2 -44.327 40.501-189.686 1.00 0.00 O ATOM 46 C2' G A 2 -42.104 40.674-188.766 1.00 0.00 C ATOM 47 O2' G A 2 -42.785 40.359-187.546 1.00 0.00 O ATOM 48 C1' G A 2 -40.853 39.824-188.940 1.00 0.00 C ATOM 49 N9 G A 2 -39.709 40.559-189.511 1.00 0.00 N ATOM 50 C8 G A 2 -39.288 40.614-190.813 1.00 0.00 C ATOM 51 N7 G A 2 -38.241 41.365-191.000 1.00 0.00 N ATOM 52 C5 G A 2 -37.942 41.847-189.729 1.00 0.00 C ATOM 53 C6 G A 2 -36.901 42.717-189.306 1.00 0.00 C ATOM 54 O6 G A 2 -36.024 43.243-189.986 1.00 0.00 O ATOM 55 N1 G A 2 -36.957 42.949-187.939 1.00 0.00 N ATOM 56 C2 G A 2 -37.895 42.414-187.082 1.00 0.00 C ATOM 57 N2 G A 2 -37.787 42.753-185.797 1.00 0.00 N ATOM 58 N3 G A 2 -38.876 41.595-187.479 1.00 0.00 N ATOM 59 C4 G A 2 -38.837 41.357-188.811 1.00 0.00 C ATOM 0 H5' G A 2 -42.422 37.133-191.521 1.00 0.00 H new ATOM 0 H5'' G A 2 -43.868 38.101-191.728 1.00 0.00 H new ATOM 0 H4' G A 2 -43.230 38.203-189.527 1.00 0.00 H new ATOM 0 H3' G A 2 -42.759 40.894-190.877 1.00 0.00 H new ATOM 0 H2' G A 2 -41.890 41.741-188.703 1.00 0.00 H new ATOM 0 HO2' G A 2 -42.222 40.607-186.783 1.00 0.00 H new ATOM 0 H1' G A 2 -40.557 39.481-187.949 1.00 0.00 H new ATOM 0 H8 G A 2 -39.781 40.082-191.613 1.00 0.00 H new ATOM 0 H1 G A 2 -36.249 43.563-187.537 1.00 0.00 H new ATOM 0 H21 G A 2 -38.453 42.388-185.116 1.00 0.00 H new ATOM 0 H22 G A 2 -37.039 43.377-185.495 1.00 0.00 H new ATOM 71 P G A 3 -45.041 41.901-190.036 1.00 0.00 P ATOM 72 OP1 G A 3 -46.492 41.759-189.778 1.00 0.00 O ATOM 73 OP2 G A 3 -44.567 42.343-191.367 1.00 0.00 O ATOM 74 O5' G A 3 -44.427 42.892-188.927 1.00 0.00 O ATOM 75 C5' G A 3 -44.708 42.687-187.541 1.00 0.00 C ATOM 76 C4' G A 3 -43.932 43.660-186.660 1.00 0.00 C ATOM 77 O4' G A 3 -42.528 43.427-186.805 1.00 0.00 O ATOM 78 C3' G A 3 -44.047 45.197-186.936 1.00 0.00 C ATOM 79 O3' G A 3 -45.211 45.754-186.319 1.00 0.00 O ATOM 80 C2' G A 3 -42.801 45.737-186.260 1.00 0.00 C ATOM 81 O2' G A 3 -43.039 46.028-184.877 1.00 0.00 O ATOM 82 C1' G A 3 -41.798 44.601-186.423 1.00 0.00 C ATOM 83 N9 G A 3 -40.782 44.850-187.461 1.00 0.00 N ATOM 84 C8 G A 3 -40.778 44.447-188.771 1.00 0.00 C ATOM 85 N7 G A 3 -39.732 44.838-189.442 1.00 0.00 N ATOM 86 C5 G A 3 -38.986 45.554-188.512 1.00 0.00 C ATOM 87 C6 G A 3 -37.740 46.222-188.665 1.00 0.00 C ATOM 88 O6 G A 3 -37.043 46.314-189.673 1.00 0.00 O ATOM 89 N1 G A 3 -37.336 46.822-187.479 1.00 0.00 N ATOM 90 C2 G A 3 -38.039 46.784-186.294 1.00 0.00 C ATOM 91 N2 G A 3 -37.488 47.420-185.260 1.00 0.00 N ATOM 92 N3 G A 3 -39.211 46.157-186.149 1.00 0.00 N ATOM 93 C4 G A 3 -39.621 45.567-187.295 1.00 0.00 C ATOM 0 H5' G A 3 -44.454 41.664-187.265 1.00 0.00 H new ATOM 0 H5'' G A 3 -45.777 42.808-187.364 1.00 0.00 H new ATOM 0 H4' G A 3 -44.385 43.455-185.690 1.00 0.00 H new ATOM 0 H3' G A 3 -44.129 45.435-187.997 1.00 0.00 H new ATOM 0 H2' G A 3 -42.456 46.677-186.691 1.00 0.00 H new ATOM 0 HO2' G A 3 -42.460 46.766-184.594 1.00 0.00 H new ATOM 0 H1' G A 3 -41.273 44.496-185.474 1.00 0.00 H new ATOM 0 H8 G A 3 -41.571 43.858-189.208 1.00 0.00 H new ATOM 0 H1 G A 3 -36.451 47.330-187.486 1.00 0.00 H new ATOM 0 H21 G A 3 -37.960 47.428-184.356 1.00 0.00 H new ATOM 0 H22 G A 3 -36.594 47.899-185.373 1.00 0.00 H new ATOM 105 P U A 4 -45.882 47.093-186.908 1.00 0.00 P ATOM 106 OP1 U A 4 -47.160 47.321-186.198 1.00 0.00 O ATOM 107 OP2 U A 4 -45.862 47.009-188.386 1.00 0.00 O ATOM 108 O5' U A 4 -44.843 48.234-186.452 1.00 0.00 O ATOM 109 C5' U A 4 -44.649 48.523-185.066 1.00 0.00 C ATOM 110 C4' U A 4 -43.585 49.596-184.857 1.00 0.00 C ATOM 111 O4' U A 4 -42.318 49.115-185.316 1.00 0.00 O ATOM 112 C3' U A 4 -43.734 50.968-185.613 1.00 0.00 C ATOM 113 O3' U A 4 -44.590 51.877-184.916 1.00 0.00 O ATOM 114 C2' U A 4 -42.307 51.493-185.592 1.00 0.00 C ATOM 115 O2' U A 4 -42.049 52.253-184.406 1.00 0.00 O ATOM 116 C1' U A 4 -41.464 50.222-185.635 1.00 0.00 C ATOM 117 N1 U A 4 -40.860 49.956-186.952 1.00 0.00 N ATOM 118 C2 U A 4 -39.672 50.597-187.249 1.00 0.00 C ATOM 119 O2 U A 4 -39.119 51.351-186.452 1.00 0.00 O ATOM 120 N3 U A 4 -39.138 50.337-188.498 1.00 0.00 N ATOM 121 C4 U A 4 -39.681 49.504-189.462 1.00 0.00 C ATOM 122 O4 U A 4 -39.119 49.348-190.544 1.00 0.00 O ATOM 123 C5 U A 4 -40.921 48.875-189.064 1.00 0.00 C ATOM 124 C6 U A 4 -41.464 49.114-187.847 1.00 0.00 C ATOM 0 H5' U A 4 -44.356 47.613-184.542 1.00 0.00 H new ATOM 0 H5'' U A 4 -45.591 48.854-184.628 1.00 0.00 H new ATOM 0 H4' U A 4 -43.691 49.787-183.789 1.00 0.00 H new ATOM 0 H3' U A 4 -44.173 50.858-186.605 1.00 0.00 H new ATOM 0 H2' U A 4 -42.091 52.172-186.417 1.00 0.00 H new ATOM 0 HO2' U A 4 -42.807 52.167-183.791 1.00 0.00 H new ATOM 0 H1' U A 4 -40.648 50.354-184.924 1.00 0.00 H new ATOM 0 H3 U A 4 -38.261 50.803-188.731 1.00 0.00 H new ATOM 0 H5 U A 4 -41.421 48.205-189.748 1.00 0.00 H new ATOM 0 H6 U A 4 -42.392 48.631-187.577 1.00 0.00 H new ATOM 135 P G A 5 -45.369 53.035-185.719 1.00 0.00 P ATOM 136 OP1 G A 5 -46.288 53.712-184.778 1.00 0.00 O ATOM 137 OP2 G A 5 -45.893 52.455-186.976 1.00 0.00 O ATOM 138 O5' G A 5 -44.184 54.059-186.092 1.00 0.00 O ATOM 139 C5' G A 5 -43.484 54.763-185.063 1.00 0.00 C ATOM 140 C4' G A 5 -42.356 55.618-185.633 1.00 0.00 C ATOM 141 O4' G A 5 -41.380 54.772-186.249 1.00 0.00 O ATOM 142 C3' G A 5 -42.680 56.637-186.767 1.00 0.00 C ATOM 143 O3' G A 5 -43.155 57.877-186.235 1.00 0.00 O ATOM 144 C2' G A 5 -41.325 56.849-187.422 1.00 0.00 C ATOM 145 O2' G A 5 -40.611 57.929-186.810 1.00 0.00 O ATOM 146 C1' G A 5 -40.616 55.520-187.202 1.00 0.00 C ATOM 147 N9 G A 5 -40.498 54.697-188.420 1.00 0.00 N ATOM 148 C8 G A 5 -41.308 53.678-188.846 1.00 0.00 C ATOM 149 N7 G A 5 -40.935 53.143-189.975 1.00 0.00 N ATOM 150 C5 G A 5 -39.796 53.860-190.325 1.00 0.00 C ATOM 151 C6 G A 5 -38.951 53.727-191.461 1.00 0.00 C ATOM 152 O6 G A 5 -39.049 52.936-192.396 1.00 0.00 O ATOM 153 N1 G A 5 -37.911 54.646-191.431 1.00 0.00 N ATOM 154 C2 G A 5 -37.705 55.577-190.435 1.00 0.00 C ATOM 155 N2 G A 5 -36.649 56.377-190.583 1.00 0.00 N ATOM 156 N3 G A 5 -38.499 55.703-189.367 1.00 0.00 N ATOM 157 C4 G A 5 -39.520 54.815-189.379 1.00 0.00 C ATOM 0 H5' G A 5 -43.075 54.050-184.348 1.00 0.00 H new ATOM 0 H5'' G A 5 -44.182 55.398-184.517 1.00 0.00 H new ATOM 0 H4' G A 5 -42.057 56.180-184.748 1.00 0.00 H new ATOM 0 H3' G A 5 -43.457 56.280-187.444 1.00 0.00 H new ATOM 0 H2' G A 5 -41.401 57.120-188.475 1.00 0.00 H new ATOM 0 HO2' G A 5 -41.081 58.214-185.999 1.00 0.00 H new ATOM 0 H1' G A 5 -39.604 55.748-186.866 1.00 0.00 H new ATOM 0 H8 G A 5 -42.177 53.348-188.296 1.00 0.00 H new ATOM 0 H1 G A 5 -37.248 54.631-192.206 1.00 0.00 H new ATOM 0 H21 G A 5 -36.444 57.086-189.879 1.00 0.00 H new ATOM 0 H22 G A 5 -36.046 56.280-191.400 1.00 0.00 H new ATOM 169 P U A 6 -44.125 58.821-187.109 1.00 0.00 P ATOM 170 OP1 U A 6 -44.560 59.951-186.258 1.00 0.00 O ATOM 171 OP2 U A 6 -45.133 57.964-187.770 1.00 0.00 O ATOM 172 O5' U A 6 -43.131 59.394-188.238 1.00 0.00 O ATOM 173 C5' U A 6 -42.033 60.235-187.873 1.00 0.00 C ATOM 174 C4' U A 6 -41.206 60.644-189.089 1.00 0.00 C ATOM 175 O4' U A 6 -40.556 59.494-189.629 1.00 0.00 O ATOM 176 C3' U A 6 -42.023 61.272-190.250 1.00 0.00 C ATOM 177 O3' U A 6 -41.898 62.695-190.225 1.00 0.00 O ATOM 178 C2' U A 6 -41.371 60.733-191.519 1.00 0.00 C ATOM 179 O2' U A 6 -40.564 61.736-192.148 1.00 0.00 O ATOM 180 C1' U A 6 -40.519 59.554-191.057 1.00 0.00 C ATOM 181 N1 U A 6 -40.988 58.250-191.564 1.00 0.00 N ATOM 182 C2 U A 6 -40.142 57.551-192.406 1.00 0.00 C ATOM 183 O2 U A 6 -39.036 57.980-192.726 1.00 0.00 O ATOM 184 N3 U A 6 -40.615 56.336-192.868 1.00 0.00 N ATOM 185 C4 U A 6 -41.841 55.768-192.567 1.00 0.00 C ATOM 186 O4 U A 6 -42.160 54.678-193.036 1.00 0.00 O ATOM 187 C5 U A 6 -42.657 56.568-191.681 1.00 0.00 C ATOM 188 C6 U A 6 -42.216 57.761-191.215 1.00 0.00 C ATOM 0 H5' U A 6 -41.396 59.713-187.159 1.00 0.00 H new ATOM 0 H5'' U A 6 -42.409 61.127-187.372 1.00 0.00 H new ATOM 0 H4' U A 6 -40.514 61.400-188.717 1.00 0.00 H new ATOM 0 H3' U A 6 -43.084 61.030-190.182 1.00 0.00 H new ATOM 0 H2' U A 6 -42.111 60.433-192.261 1.00 0.00 H new ATOM 0 HO2' U A 6 -40.601 61.623-193.121 1.00 0.00 H new ATOM 0 H1' U A 6 -39.516 59.724-191.449 1.00 0.00 H new ATOM 0 H3 U A 6 -40.002 55.808-193.490 1.00 0.00 H new ATOM 0 H5 U A 6 -43.632 56.209-191.387 1.00 0.00 H new ATOM 0 H6 U A 6 -42.847 58.337-190.555 1.00 0.00 H new ATOM 199 P A A 7 -43.027 63.619-190.903 1.00 0.00 P ATOM 200 OP1 A A 7 -42.726 65.031-190.575 1.00 0.00 O ATOM 201 OP2 A A 7 -44.353 63.049-190.573 1.00 0.00 O ATOM 202 O5' A A 7 -42.759 63.398-192.473 1.00 0.00 O ATOM 203 C5' A A 7 -41.554 63.873-193.081 1.00 0.00 C ATOM 204 C4' A A 7 -41.438 63.406-194.528 1.00 0.00 C ATOM 205 O4' A A 7 -41.202 62.001-194.557 1.00 0.00 O ATOM 206 C3' A A 7 -42.684 63.689-195.383 1.00 0.00 C ATOM 207 O3' A A 7 -42.406 64.671-196.387 1.00 0.00 O ATOM 208 C2' A A 7 -43.038 62.342-196.013 1.00 0.00 C ATOM 209 O2' A A 7 -43.235 62.468-197.426 1.00 0.00 O ATOM 210 C1' A A 7 -41.843 61.455-195.703 1.00 0.00 C ATOM 211 N9 A A 7 -42.194 60.056-195.401 1.00 0.00 N ATOM 212 C8 A A 7 -43.174 59.575-194.573 1.00 0.00 C ATOM 213 N7 A A 7 -43.237 58.273-194.530 1.00 0.00 N ATOM 214 C5 A A 7 -42.224 57.863-195.391 1.00 0.00 C ATOM 215 C6 A A 7 -41.769 56.593-195.786 1.00 0.00 C ATOM 216 N6 A A 7 -42.305 55.456-195.344 1.00 0.00 N ATOM 217 N1 A A 7 -40.743 56.549-196.653 1.00 0.00 N ATOM 218 C2 A A 7 -40.215 57.687-197.090 1.00 0.00 C ATOM 219 N3 A A 7 -40.553 58.931-196.796 1.00 0.00 N ATOM 220 C4 A A 7 -41.582 58.943-195.925 1.00 0.00 C ATOM 0 H5' A A 7 -40.694 63.518-192.513 1.00 0.00 H new ATOM 0 H5'' A A 7 -41.532 64.962-193.046 1.00 0.00 H new ATOM 0 H4' A A 7 -40.612 63.974-194.955 1.00 0.00 H new ATOM 0 H3' A A 7 -43.505 64.092-194.791 1.00 0.00 H new ATOM 0 H2' A A 7 -43.970 61.934-195.621 1.00 0.00 H new ATOM 0 HO2' A A 7 -42.691 63.208-197.767 1.00 0.00 H new ATOM 0 HO3' A A 7 -43.225 64.868-196.888 1.00 0.00 H new ATOM 0 H1' A A 7 -41.212 61.435-196.591 1.00 0.00 H new ATOM 0 H8 A A 7 -43.834 60.216-194.007 1.00 0.00 H new ATOM 0 H61 A A 7 -41.936 54.560-195.663 1.00 0.00 H new ATOM 0 H62 A A 7 -43.084 55.481-194.686 1.00 0.00 H new ATOM 0 H2 A A 7 -39.394 57.581-197.783 1.00 0.00 H new TER 233 A A 7 ATOM 234 OP3 A B 17 -41.675 49.285-201.871 1.00 0.00 O ATOM 235 P A B 17 -40.920 49.195-203.289 1.00 0.00 P ATOM 236 OP1 A B 17 -40.052 47.996-203.277 1.00 0.00 O ATOM 237 OP2 A B 17 -41.926 49.366-204.361 1.00 0.00 O ATOM 238 O5' A B 17 -39.976 50.500-203.270 1.00 0.00 O ATOM 239 C5' A B 17 -39.297 50.922-204.457 1.00 0.00 C ATOM 240 C4' A B 17 -38.574 52.250-204.248 1.00 0.00 C ATOM 241 O4' A B 17 -39.536 53.281-204.005 1.00 0.00 O ATOM 242 C3' A B 17 -37.603 52.355-203.041 1.00 0.00 C ATOM 243 O3' A B 17 -36.287 51.926-203.403 1.00 0.00 O ATOM 244 C2' A B 17 -37.587 53.847-202.744 1.00 0.00 C ATOM 245 O2' A B 17 -36.530 54.506-203.453 1.00 0.00 O ATOM 246 C1' A B 17 -38.952 54.325-203.218 1.00 0.00 C ATOM 247 N9 A B 17 -39.890 54.633-202.123 1.00 0.00 N ATOM 248 C8 A B 17 -40.884 53.850-201.596 1.00 0.00 C ATOM 249 N7 A B 17 -41.544 54.417-200.625 1.00 0.00 N ATOM 250 C5 A B 17 -40.944 55.667-200.500 1.00 0.00 C ATOM 251 C6 A B 17 -41.185 56.755-199.644 1.00 0.00 C ATOM 252 N6 A B 17 -42.137 56.753-198.711 1.00 0.00 N ATOM 253 N1 A B 17 -40.404 57.838-199.791 1.00 0.00 N ATOM 254 C2 A B 17 -39.458 57.833-200.722 1.00 0.00 C ATOM 255 N3 A B 17 -39.136 56.879-201.581 1.00 0.00 N ATOM 256 C4 A B 17 -39.936 55.806-201.410 1.00 0.00 C ATOM 0 H5' A B 17 -40.015 51.022-205.271 1.00 0.00 H new ATOM 0 H5'' A B 17 -38.579 50.159-204.757 1.00 0.00 H new ATOM 0 H4' A B 17 -37.987 52.342-205.162 1.00 0.00 H new ATOM 0 H3' A B 17 -37.911 51.736-202.198 1.00 0.00 H new ATOM 0 H2' A B 17 -37.408 54.065-201.691 1.00 0.00 H new ATOM 0 HO2' A B 17 -36.068 53.859-204.026 1.00 0.00 H new ATOM 0 H1' A B 17 -38.789 55.247-203.776 1.00 0.00 H new ATOM 0 H8 A B 17 -41.101 52.854-201.953 1.00 0.00 H new ATOM 0 H61 A B 17 -42.269 57.571-198.116 1.00 0.00 H new ATOM 0 H62 A B 17 -42.733 55.934-198.592 1.00 0.00 H new ATOM 0 H2 A B 17 -38.868 58.735-200.788 1.00 0.00 H new ATOM 269 P G B 18 -35.293 51.308-202.298 1.00 0.00 P ATOM 270 OP1 G B 18 -34.085 50.807-202.990 1.00 0.00 O ATOM 271 OP2 G B 18 -36.074 50.402-201.426 1.00 0.00 O ATOM 272 O5' G B 18 -34.879 52.603-201.436 1.00 0.00 O ATOM 273 C5' G B 18 -34.131 53.663-202.036 1.00 0.00 C ATOM 274 C4' G B 18 -33.852 54.784-201.039 1.00 0.00 C ATOM 275 O4' G B 18 -35.087 55.378-200.631 1.00 0.00 O ATOM 276 C3' G B 18 -33.169 54.392-199.675 1.00 0.00 C ATOM 277 O3' G B 18 -31.744 54.351-199.775 1.00 0.00 O ATOM 278 C2' G B 18 -33.583 55.545-198.775 1.00 0.00 C ATOM 279 O2' G B 18 -32.641 56.620-198.840 1.00 0.00 O ATOM 280 C1' G B 18 -34.941 55.962-199.330 1.00 0.00 C ATOM 281 N9 G B 18 -36.082 55.515-198.510 1.00 0.00 N ATOM 282 C8 G B 18 -36.896 54.428-198.691 1.00 0.00 C ATOM 283 N7 G B 18 -37.820 54.303-197.780 1.00 0.00 N ATOM 284 C5 G B 18 -37.604 55.385-196.933 1.00 0.00 C ATOM 285 C6 G B 18 -38.303 55.775-195.758 1.00 0.00 C ATOM 286 O6 G B 18 -39.267 55.228-195.227 1.00 0.00 O ATOM 287 N1 G B 18 -37.763 56.928-195.204 1.00 0.00 N ATOM 288 C2 G B 18 -36.685 57.622-195.714 1.00 0.00 C ATOM 289 N2 G B 18 -36.311 58.710-195.041 1.00 0.00 N ATOM 290 N3 G B 18 -36.028 57.257-196.819 1.00 0.00 N ATOM 291 C4 G B 18 -36.542 56.134-197.373 1.00 0.00 C ATOM 0 H5' G B 18 -34.682 54.061-202.888 1.00 0.00 H new ATOM 0 H5'' G B 18 -33.188 53.273-202.420 1.00 0.00 H new ATOM 0 H4' G B 18 -33.165 55.421-201.597 1.00 0.00 H new ATOM 0 H3' G B 18 -33.464 53.402-199.327 1.00 0.00 H new ATOM 0 H2' G B 18 -33.625 55.265-197.722 1.00 0.00 H new ATOM 0 HO2' G B 18 -31.922 56.388-199.465 1.00 0.00 H new ATOM 0 H1' G B 18 -34.957 57.052-199.344 1.00 0.00 H new ATOM 0 H8 G B 18 -36.782 53.737-199.514 1.00 0.00 H new ATOM 0 H1 G B 18 -38.197 57.290-194.355 1.00 0.00 H new ATOM 0 H21 G B 18 -35.521 59.265-195.368 1.00 0.00 H new ATOM 0 H22 G B 18 -36.815 58.987-194.199 1.00 0.00 H new ATOM 303 P C B 19 -30.889 53.354-198.843 1.00 0.00 P ATOM 304 OP1 C B 19 -29.470 53.438-199.252 1.00 0.00 O ATOM 305 OP2 C B 19 -31.575 52.043-198.820 1.00 0.00 O ATOM 306 O5' C B 19 -31.033 54.025-197.386 1.00 0.00 O ATOM 307 C5' C B 19 -30.464 55.310-197.123 1.00 0.00 C ATOM 308 C4' C B 19 -30.829 55.818-195.730 1.00 0.00 C ATOM 309 O4' C B 19 -32.239 56.030-195.645 1.00 0.00 O ATOM 310 C3' C B 19 -30.505 54.877-194.502 1.00 0.00 C ATOM 311 O3' C B 19 -29.162 55.014-194.031 1.00 0.00 O ATOM 312 C2' C B 19 -31.469 55.416-193.459 1.00 0.00 C ATOM 313 O2' C B 19 -30.890 56.501-192.725 1.00 0.00 O ATOM 314 C1' C B 19 -32.668 55.878-194.284 1.00 0.00 C ATOM 315 N1 C B 19 -33.792 54.926-194.274 1.00 0.00 N ATOM 316 C2 C B 19 -34.679 55.000-193.212 1.00 0.00 C ATOM 317 O2 C B 19 -34.521 55.849-192.336 1.00 0.00 O ATOM 318 N3 C B 19 -35.712 54.116-193.172 1.00 0.00 N ATOM 319 C4 C B 19 -35.869 53.197-194.133 1.00 0.00 C ATOM 320 N4 C B 19 -36.891 52.344-194.060 1.00 0.00 N ATOM 321 C5 C B 19 -34.956 53.119-195.233 1.00 0.00 C ATOM 322 C6 C B 19 -33.937 53.999-195.263 1.00 0.00 C ATOM 0 H5' C B 19 -30.812 56.022-197.872 1.00 0.00 H new ATOM 0 H5'' C B 19 -29.380 55.253-197.216 1.00 0.00 H new ATOM 0 H4' C B 19 -30.208 56.710-195.643 1.00 0.00 H new ATOM 0 H3' C B 19 -30.606 53.819-194.744 1.00 0.00 H new ATOM 0 H2' C B 19 -31.736 54.674-192.707 1.00 0.00 H new ATOM 0 HO2' C B 19 -30.011 56.718-193.101 1.00 0.00 H new ATOM 0 H1' C B 19 -33.023 56.809-193.841 1.00 0.00 H new ATOM 0 H41 C B 19 -37.020 51.640-194.786 1.00 0.00 H new ATOM 0 H42 C B 19 -37.543 52.396-193.278 1.00 0.00 H new ATOM 0 H5 C B 19 -35.080 52.381-196.011 1.00 0.00 H new ATOM 0 H6 C B 19 -33.229 53.970-196.078 1.00 0.00 H new ATOM 334 P A B 20 -28.430 53.788-193.287 1.00 0.00 P ATOM 335 OP1 A B 20 -27.011 54.151-193.080 1.00 0.00 O ATOM 336 OP2 A B 20 -28.777 52.539-194.002 1.00 0.00 O ATOM 337 O5' A B 20 -29.160 53.765-191.851 1.00 0.00 O ATOM 338 C5' A B 20 -28.988 54.848-190.933 1.00 0.00 C ATOM 339 C4' A B 20 -29.859 54.674-189.691 1.00 0.00 C ATOM 340 O4' A B 20 -31.239 54.726-190.061 1.00 0.00 O ATOM 341 C3' A B 20 -29.767 53.326-188.889 1.00 0.00 C ATOM 342 O3' A B 20 -28.677 53.316-187.962 1.00 0.00 O ATOM 343 C2' A B 20 -31.082 53.323-188.129 1.00 0.00 C ATOM 344 O2' A B 20 -30.964 54.004-186.876 1.00 0.00 O ATOM 345 C1' A B 20 -32.032 54.054-189.072 1.00 0.00 C ATOM 346 N9 A B 20 -32.966 53.161-189.780 1.00 0.00 N ATOM 347 C8 A B 20 -32.850 52.617-191.032 1.00 0.00 C ATOM 348 N7 A B 20 -33.849 51.848-191.369 1.00 0.00 N ATOM 349 C5 A B 20 -34.687 51.888-190.259 1.00 0.00 C ATOM 350 C6 A B 20 -35.921 51.278-189.978 1.00 0.00 C ATOM 351 N6 A B 20 -36.549 50.474-190.836 1.00 0.00 N ATOM 352 N1 A B 20 -36.476 51.532-188.781 1.00 0.00 N ATOM 353 C2 A B 20 -35.844 52.333-187.931 1.00 0.00 C ATOM 354 N3 A B 20 -34.687 52.960-188.077 1.00 0.00 N ATOM 355 C4 A B 20 -34.156 52.686-189.286 1.00 0.00 C ATOM 0 H5' A B 20 -29.239 55.787-191.426 1.00 0.00 H new ATOM 0 H5'' A B 20 -27.941 54.913-190.638 1.00 0.00 H new ATOM 0 H4' A B 20 -29.479 55.474-189.056 1.00 0.00 H new ATOM 0 H3' A B 20 -29.602 52.465-189.536 1.00 0.00 H new ATOM 0 H2' A B 20 -31.423 52.320-187.874 1.00 0.00 H new ATOM 0 HO2' A B 20 -30.043 54.319-186.760 1.00 0.00 H new ATOM 0 H1' A B 20 -32.629 54.734-188.464 1.00 0.00 H new ATOM 0 H8 A B 20 -32.008 52.807-191.681 1.00 0.00 H new ATOM 0 H61 A B 20 -37.444 50.056-190.582 1.00 0.00 H new ATOM 0 H62 A B 20 -36.134 50.277-191.747 1.00 0.00 H new ATOM 0 H2 A B 20 -36.344 52.496-186.988 1.00 0.00 H new ATOM 367 P C B 21 -27.974 51.929-187.548 1.00 0.00 P ATOM 368 OP1 C B 21 -26.803 52.238-186.699 1.00 0.00 O ATOM 369 OP2 C B 21 -27.805 51.112-188.770 1.00 0.00 O ATOM 370 O5' C B 21 -29.094 51.231-186.625 1.00 0.00 O ATOM 371 C5' C B 21 -29.456 51.806-185.367 1.00 0.00 C ATOM 372 C4' C B 21 -30.566 51.014-184.681 1.00 0.00 C ATOM 373 O4' C B 21 -31.759 51.076-185.465 1.00 0.00 O ATOM 374 C3' C B 21 -30.367 49.478-184.483 1.00 0.00 C ATOM 375 O3' C B 21 -29.618 49.189-183.299 1.00 0.00 O ATOM 376 C2' C B 21 -31.791 48.972-184.323 1.00 0.00 C ATOM 377 O2' C B 21 -32.191 48.968-182.948 1.00 0.00 O ATOM 378 C1' C B 21 -32.610 49.968-185.138 1.00 0.00 C ATOM 379 N1 C B 21 -33.130 49.414-186.403 1.00 0.00 N ATOM 380 C2 C B 21 -34.310 48.689-186.346 1.00 0.00 C ATOM 381 O2 C B 21 -34.893 48.545-185.274 1.00 0.00 O ATOM 382 N3 C B 21 -34.797 48.158-187.500 1.00 0.00 N ATOM 383 C4 C B 21 -34.153 48.330-188.662 1.00 0.00 C ATOM 384 N4 C B 21 -34.656 47.795-189.773 1.00 0.00 N ATOM 385 C5 C B 21 -32.936 49.079-188.726 1.00 0.00 C ATOM 386 C6 C B 21 -32.461 49.600-187.578 1.00 0.00 C ATOM 0 H5' C B 21 -29.783 52.835-185.518 1.00 0.00 H new ATOM 0 H5'' C B 21 -28.581 51.842-184.718 1.00 0.00 H new ATOM 0 H4' C B 21 -30.588 51.489-183.700 1.00 0.00 H new ATOM 0 H3' C B 21 -29.816 49.021-185.305 1.00 0.00 H new ATOM 0 H2' C B 21 -31.917 47.943-184.659 1.00 0.00 H new ATOM 0 HO2' C B 21 -33.111 48.639-182.876 1.00 0.00 H new ATOM 0 H1' C B 21 -33.469 50.251-184.529 1.00 0.00 H new ATOM 0 H41 C B 21 -34.174 47.920-190.663 1.00 0.00 H new ATOM 0 H42 C B 21 -35.524 47.260-189.734 1.00 0.00 H new ATOM 0 H5 C B 21 -32.416 49.222-189.662 1.00 0.00 H new ATOM 0 H6 C B 21 -31.543 50.169-187.588 1.00 0.00 H new ATOM 398 P C B 22 -28.739 47.844-183.203 1.00 0.00 P ATOM 399 OP1 C B 22 -27.931 47.905-181.965 1.00 0.00 O ATOM 400 OP2 C B 22 -28.073 47.632-184.508 1.00 0.00 O ATOM 401 O5' C B 22 -29.859 46.702-183.017 1.00 0.00 O ATOM 402 C5' C B 22 -30.653 46.651-181.828 1.00 0.00 C ATOM 403 C4' C B 22 -31.740 45.585-181.920 1.00 0.00 C ATOM 404 O4' C B 22 -32.654 45.919-182.968 1.00 0.00 O ATOM 405 C3' C B 22 -31.342 44.126-182.283 1.00 0.00 C ATOM 406 O3' C B 22 -30.943 43.398-181.118 1.00 0.00 O ATOM 407 C2' C B 22 -32.619 43.529-182.847 1.00 0.00 C ATOM 408 O2' C B 22 -33.372 42.854-181.833 1.00 0.00 O ATOM 409 C1' C B 22 -33.369 44.745-183.380 1.00 0.00 C ATOM 410 N1 C B 22 -33.475 44.780-184.850 1.00 0.00 N ATOM 411 C2 C B 22 -34.516 44.074-185.433 1.00 0.00 C ATOM 412 O2 C B 22 -35.308 43.452-184.728 1.00 0.00 O ATOM 413 N3 C B 22 -34.621 44.083-186.789 1.00 0.00 N ATOM 414 C4 C B 22 -33.743 44.756-187.543 1.00 0.00 C ATOM 415 N4 C B 22 -33.874 44.744-188.870 1.00 0.00 N ATOM 416 C5 C B 22 -32.668 45.487-186.946 1.00 0.00 C ATOM 417 C6 C B 22 -32.572 45.472-185.603 1.00 0.00 C ATOM 0 H5' C B 22 -31.112 47.624-181.655 1.00 0.00 H new ATOM 0 H5'' C B 22 -30.012 46.444-180.971 1.00 0.00 H new ATOM 0 H4' C B 22 -32.113 45.591-180.896 1.00 0.00 H new ATOM 0 H3' C B 22 -30.502 44.089-182.977 1.00 0.00 H new ATOM 0 H2' C B 22 -32.434 42.775-183.612 1.00 0.00 H new ATOM 0 HO2' C B 22 -33.555 41.935-182.119 1.00 0.00 H new ATOM 0 H1' C B 22 -34.383 44.696-182.982 1.00 0.00 H new ATOM 0 H41 C B 22 -33.210 45.254-189.453 1.00 0.00 H new ATOM 0 H42 C B 22 -34.638 44.225-189.302 1.00 0.00 H new ATOM 0 H5 C B 22 -31.958 46.032-187.551 1.00 0.00 H new ATOM 0 H6 C B 22 -31.773 46.013-185.118 1.00 0.00 H new ATOM 429 P C B 23 -29.984 42.112-181.253 1.00 0.00 P ATOM 430 OP1 C B 23 -29.312 41.897-179.953 1.00 0.00 O ATOM 431 OP2 C B 23 -29.177 42.263-182.485 1.00 0.00 O ATOM 432 O5' C B 23 -31.035 40.913-181.482 1.00 0.00 O ATOM 433 C5' C B 23 -31.976 40.568-180.463 1.00 0.00 C ATOM 434 C4' C B 23 -32.812 39.356-180.858 1.00 0.00 C ATOM 435 O4' C B 23 -33.698 39.718-181.919 1.00 0.00 O ATOM 436 C3' C B 23 -31.991 38.147-181.311 1.00 0.00 C ATOM 437 O3' C B 23 -32.364 36.982-180.566 1.00 0.00 O ATOM 438 C2' C B 23 -32.304 37.978-182.792 1.00 0.00 C ATOM 439 O2' C B 23 -32.529 36.604-183.116 1.00 0.00 O ATOM 440 C1' C B 23 -33.565 38.806-183.012 1.00 0.00 C ATOM 441 N1 C B 23 -33.548 39.601-184.256 1.00 0.00 N ATOM 442 C2 C B 23 -34.554 39.364-185.179 1.00 0.00 C ATOM 443 O2 C B 23 -35.392 38.491-184.966 1.00 0.00 O ATOM 444 N3 C B 23 -34.557 40.090-186.331 1.00 0.00 N ATOM 445 C4 C B 23 -33.612 41.010-186.567 1.00 0.00 C ATOM 446 N4 C B 23 -33.643 41.705-187.704 1.00 0.00 N ATOM 447 C5 C B 23 -32.571 41.256-185.617 1.00 0.00 C ATOM 448 C6 C B 23 -32.578 40.534-184.481 1.00 0.00 C ATOM 0 H5' C B 23 -32.633 41.417-180.271 1.00 0.00 H new ATOM 0 H5'' C B 23 -31.446 40.358-179.534 1.00 0.00 H new ATOM 0 H4' C B 23 -33.349 39.058-179.958 1.00 0.00 H new ATOM 0 H3' C B 23 -30.923 38.290-181.145 1.00 0.00 H new ATOM 0 H2' C B 23 -31.480 38.303-183.428 1.00 0.00 H new ATOM 0 HO2' C B 23 -32.729 36.522-184.072 1.00 0.00 H new ATOM 0 HO3' C B 23 -32.597 36.259-181.185 1.00 0.00 H new ATOM 0 H1' C B 23 -34.394 38.102-183.086 1.00 0.00 H new ATOM 0 H41 C B 23 -32.928 42.407-187.892 1.00 0.00 H new ATOM 0 H42 C B 23 -34.382 41.534-188.386 1.00 0.00 H new ATOM 0 H5 C B 23 -31.806 41.995-185.805 1.00 0.00 H new ATOM 0 H6 C B 23 -31.808 40.695-183.740 1.00 0.00 H new TER 461 C B 23