USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 643 hydrogens (11 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 23 HIS HE2 : A 23 HIS NE2 : A 128 ZNZN :(H bumps) USER MOD NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 149 ZNZN :(H bumps) USER MOD Set 1.1: B 207 U O2' : rot 161:sc= 0.677 USER MOD Set 1.2: B 209 G O2' : rot -66:sc= 1.18 USER MOD Set 2.1: A 26 LYS NZ :NH3+ -121:sc= -3.65! (180deg=-7.3!) USER MOD Set 2.2: B 212 A O2' : rot -156:sc= -1.63 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.00609 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.296 K(o=-0.3,f=-1.4!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.2) USER MOD Single : A 8 ASN : amide:sc= -0.821 X(o=-0.82,f=-0.34) USER MOD Single : A 9 GLN : amide:sc= -3.96! C(o=-4!,f=-6.1!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.92! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.97 X(o=-0.97,f=-0.61) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN :FLIP amide:sc= -4.39! C(o=-7!,f=-4.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 137:sc= 0.918 (180deg=0.0201) USER MOD Single : A 45 GLN : amide:sc= -6.82! C(o=-6.8!,f=-11!) USER MOD Single : A 46 MET CE :methyl -154:sc=-0.00742 (180deg=-0.122) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -33:sc= 0.73 USER MOD Single : A 53 GLN : amide:sc=-0.00564 X(o=-0.0056,f=0) USER MOD Single : A 55 ASN : amide:sc= -6.87! C(o=-6.9!,f=-7.2!) USER MOD Single : B 201 CG1 O2' : rot -1:sc= -2.81! USER MOD Single : B 202 G O2' : rot -139:sc= 0.244 USER MOD Single : B 203 C O2' : rot 6:sc= -1.19 USER MOD Single : B 204 G O2' : rot -155:sc= -1.75 USER MOD Single : B 205 A O2' : rot 13:sc= -1.16 USER MOD Single : B 206 C O2' : rot -126:sc= 1.25 USER MOD Single : B 208 G O2' : rot 24:sc= 1.74 USER MOD Single : B 210 U O2' : rot 20:sc= 0.522 USER MOD Single : B 211 G O2' : rot 91:sc= -0.815! USER MOD Single : B 213 G O2' : rot -86:sc= 1.79 USER MOD Single : B 214 U O2' : rot 7:sc= 1.48 USER MOD Single : B 215 A O2' : rot -27:sc= 0.551 USER MOD Single : B 216 C O2' : rot 26:sc= -0.925 USER MOD Single : B 217 G O2' : rot 6:sc= -0.487 USER MOD Single : B 218 C O2' : rot -111:sc= 1.11 USER MOD Single : B 219 C O2' : rot -17:sc= 0.467 USER MOD Single : B 219 C O3' : rot 180:sc= 0.383 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -32.606 14.558 9.486 1.00 0.00 N ATOM 2 CA MET A 1 -32.810 13.170 9.863 1.00 0.00 C ATOM 3 C MET A 1 -32.590 12.239 8.669 1.00 0.00 C ATOM 4 O MET A 1 -32.976 12.562 7.546 1.00 0.00 O ATOM 5 CB MET A 1 -34.234 12.989 10.396 1.00 0.00 C ATOM 6 CG MET A 1 -34.356 11.695 11.202 1.00 0.00 C ATOM 7 SD MET A 1 -33.581 11.894 12.799 1.00 0.00 S ATOM 8 CE MET A 1 -35.029 11.980 13.838 1.00 0.00 C ATOM 0 H1 MET A 1 -31.837 14.964 10.057 1.00 0.00 H new ATOM 0 H2 MET A 1 -32.353 14.611 8.478 1.00 0.00 H new ATOM 0 H3 MET A 1 -33.481 15.095 9.652 1.00 0.00 H new ATOM 0 HA MET A 1 -32.087 12.914 10.638 1.00 0.00 H new ATOM 0 HB2 MET A 1 -34.502 13.839 11.023 1.00 0.00 H new ATOM 0 HB3 MET A 1 -34.938 12.972 9.564 1.00 0.00 H new ATOM 0 HG2 MET A 1 -35.407 11.434 11.329 1.00 0.00 H new ATOM 0 HG3 MET A 1 -33.886 10.874 10.660 1.00 0.00 H new ATOM 0 HE1 MET A 1 -34.724 12.105 14.877 1.00 0.00 H new ATOM 0 HE2 MET A 1 -35.644 12.828 13.536 1.00 0.00 H new ATOM 0 HE3 MET A 1 -35.605 11.060 13.737 1.00 0.00 H new ATOM 18 N GLN A 2 -31.971 11.103 8.952 1.00 0.00 N ATOM 19 CA GLN A 2 -31.695 10.122 7.914 1.00 0.00 C ATOM 20 C GLN A 2 -33.001 9.636 7.284 1.00 0.00 C ATOM 21 O GLN A 2 -34.002 9.462 7.976 1.00 0.00 O ATOM 22 CB GLN A 2 -30.885 8.950 8.470 1.00 0.00 C ATOM 23 CG GLN A 2 -29.427 9.354 8.708 1.00 0.00 C ATOM 24 CD GLN A 2 -28.950 8.895 10.086 1.00 0.00 C ATOM 25 OE1 GLN A 2 -29.712 8.784 11.031 1.00 0.00 O ATOM 26 NE2 GLN A 2 -27.647 8.633 10.147 1.00 0.00 N ATOM 0 H GLN A 2 -31.652 10.839 9.884 1.00 0.00 H new ATOM 0 HA GLN A 2 -31.096 10.600 7.139 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -31.329 8.608 9.405 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -30.925 8.113 7.773 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -28.794 8.917 7.936 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -29.328 10.436 8.627 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -27.065 8.747 9.317 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -27.231 8.318 11.023 1.00 0.00 H new ATOM 35 N LYS A 3 -32.948 9.429 5.975 1.00 0.00 N ATOM 36 CA LYS A 3 -34.114 8.966 5.243 1.00 0.00 C ATOM 37 C LYS A 3 -34.545 7.603 5.790 1.00 0.00 C ATOM 38 O LYS A 3 -35.732 7.369 6.019 1.00 0.00 O ATOM 39 CB LYS A 3 -33.836 8.965 3.739 1.00 0.00 C ATOM 40 CG LYS A 3 -32.754 7.944 3.380 1.00 0.00 C ATOM 41 CD LYS A 3 -32.538 7.883 1.867 1.00 0.00 C ATOM 42 CE LYS A 3 -31.263 7.108 1.527 1.00 0.00 C ATOM 43 NZ LYS A 3 -31.170 6.878 0.068 1.00 0.00 N ATOM 0 H LYS A 3 -32.115 9.574 5.404 1.00 0.00 H new ATOM 0 HA LYS A 3 -34.952 9.648 5.388 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -34.753 8.734 3.197 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -33.521 9.960 3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -31.820 8.210 3.874 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -33.041 6.960 3.750 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -33.395 7.406 1.392 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -32.472 8.894 1.464 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -30.390 7.664 1.870 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -31.260 6.153 2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -30.299 6.351 -0.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -31.994 6.329 -0.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -31.151 7.792 -0.427 1.00 0.00 H new ATOM 57 N GLY A 4 -33.560 6.739 5.981 1.00 0.00 N ATOM 58 CA GLY A 4 -33.823 5.406 6.496 1.00 0.00 C ATOM 59 C GLY A 4 -34.468 5.470 7.882 1.00 0.00 C ATOM 60 O GLY A 4 -34.990 4.472 8.374 1.00 0.00 O ATOM 0 H GLY A 4 -32.578 6.936 5.788 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -34.479 4.870 5.810 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.891 4.843 6.550 1.00 0.00 H new ATOM 64 N ASN A 5 -34.412 6.656 8.471 1.00 0.00 N ATOM 65 CA ASN A 5 -34.984 6.863 9.790 1.00 0.00 C ATOM 66 C ASN A 5 -36.463 6.474 9.767 1.00 0.00 C ATOM 67 O ASN A 5 -37.060 6.226 10.813 1.00 0.00 O ATOM 68 CB ASN A 5 -34.889 8.332 10.207 1.00 0.00 C ATOM 69 CG ASN A 5 -35.269 8.512 11.678 1.00 0.00 C ATOM 70 OD1 ASN A 5 -36.418 8.378 12.069 1.00 0.00 O ATOM 71 ND2 ASN A 5 -34.245 8.821 12.467 1.00 0.00 N ATOM 0 H ASN A 5 -33.979 7.483 8.059 1.00 0.00 H new ATOM 0 HA ASN A 5 -34.427 6.250 10.498 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -33.874 8.695 10.043 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -35.548 8.934 9.582 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -34.395 8.961 13.466 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -33.309 8.918 12.073 1.00 0.00 H new ATOM 78 N PHE A 6 -37.012 6.431 8.562 1.00 0.00 N ATOM 79 CA PHE A 6 -38.410 6.076 8.387 1.00 0.00 C ATOM 80 C PHE A 6 -38.689 4.669 8.922 1.00 0.00 C ATOM 81 O PHE A 6 -39.843 4.292 9.117 1.00 0.00 O ATOM 82 CB PHE A 6 -38.695 6.103 6.885 1.00 0.00 C ATOM 83 CG PHE A 6 -39.968 5.357 6.479 1.00 0.00 C ATOM 84 CD1 PHE A 6 -41.139 5.613 7.121 1.00 0.00 C ATOM 85 CD2 PHE A 6 -39.928 4.439 5.477 1.00 0.00 C ATOM 86 CE1 PHE A 6 -42.321 4.922 6.745 1.00 0.00 C ATOM 87 CE2 PHE A 6 -41.110 3.747 5.101 1.00 0.00 C ATOM 88 CZ PHE A 6 -42.281 4.003 5.743 1.00 0.00 C ATOM 0 H PHE A 6 -36.513 6.636 7.696 1.00 0.00 H new ATOM 0 HA PHE A 6 -39.042 6.776 8.933 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -38.775 7.140 6.559 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -37.847 5.667 6.357 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -41.170 6.342 7.917 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -38.998 4.236 4.967 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -43.251 5.126 7.254 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -41.079 3.018 4.305 1.00 0.00 H new ATOM 0 HZ PHE A 6 -43.180 3.476 5.457 1.00 0.00 H new ATOM 98 N ARG A 7 -37.611 3.932 9.146 1.00 0.00 N ATOM 99 CA ARG A 7 -37.725 2.575 9.654 1.00 0.00 C ATOM 100 C ARG A 7 -38.379 2.580 11.037 1.00 0.00 C ATOM 101 O ARG A 7 -38.763 1.529 11.549 1.00 0.00 O ATOM 102 CB ARG A 7 -36.353 1.905 9.749 1.00 0.00 C ATOM 103 CG ARG A 7 -36.378 0.510 9.123 1.00 0.00 C ATOM 104 CD ARG A 7 -35.086 -0.251 9.424 1.00 0.00 C ATOM 105 NE ARG A 7 -34.398 -0.601 8.162 1.00 0.00 N ATOM 106 CZ ARG A 7 -34.663 -1.700 7.442 1.00 0.00 C ATOM 107 NH1 ARG A 7 -35.603 -2.561 7.855 1.00 0.00 N ATOM 108 NH2 ARG A 7 -33.989 -1.937 6.308 1.00 0.00 N ATOM 0 H ARG A 7 -36.655 4.249 8.985 1.00 0.00 H new ATOM 0 HA ARG A 7 -38.344 2.011 8.957 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -35.608 2.520 9.244 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -36.051 1.833 10.794 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -37.231 -0.049 9.507 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -36.511 0.594 8.044 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -34.432 0.359 10.047 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -35.311 -1.156 9.988 1.00 0.00 H new ATOM 0 HE ARG A 7 -33.677 0.034 7.818 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -36.117 -2.380 8.717 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -35.805 -3.397 7.307 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -33.274 -1.281 5.993 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -34.191 -2.773 5.760 1.00 0.00 H new ATOM 122 N ASN A 8 -38.485 3.774 11.602 1.00 0.00 N ATOM 123 CA ASN A 8 -39.087 3.929 12.916 1.00 0.00 C ATOM 124 C ASN A 8 -40.537 3.442 12.869 1.00 0.00 C ATOM 125 O ASN A 8 -41.159 3.233 13.909 1.00 0.00 O ATOM 126 CB ASN A 8 -39.094 5.396 13.348 1.00 0.00 C ATOM 127 CG ASN A 8 -39.377 5.525 14.846 1.00 0.00 C ATOM 128 OD1 ASN A 8 -38.480 5.629 15.667 1.00 0.00 O ATOM 129 ND2 ASN A 8 -40.671 5.514 15.155 1.00 0.00 N ATOM 0 H ASN A 8 -38.164 4.643 11.174 1.00 0.00 H new ATOM 0 HA ASN A 8 -38.501 3.347 13.627 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -38.132 5.852 13.116 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -39.850 5.942 12.783 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -40.964 5.596 16.129 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -41.371 5.424 14.418 1.00 0.00 H new ATOM 136 N GLN A 9 -41.033 3.276 11.651 1.00 0.00 N ATOM 137 CA GLN A 9 -42.398 2.819 11.456 1.00 0.00 C ATOM 138 C GLN A 9 -42.627 1.499 12.196 1.00 0.00 C ATOM 139 O GLN A 9 -43.753 1.182 12.573 1.00 0.00 O ATOM 140 CB GLN A 9 -42.720 2.674 9.967 1.00 0.00 C ATOM 141 CG GLN A 9 -44.181 2.273 9.758 1.00 0.00 C ATOM 142 CD GLN A 9 -44.770 2.968 8.529 1.00 0.00 C ATOM 143 OE1 GLN A 9 -44.138 3.094 7.493 1.00 0.00 O ATOM 144 NE2 GLN A 9 -46.013 3.409 8.702 1.00 0.00 N ATOM 0 H GLN A 9 -40.514 3.450 10.790 1.00 0.00 H new ATOM 0 HA GLN A 9 -43.073 3.568 11.870 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -42.521 3.615 9.455 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -42.066 1.924 9.521 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -44.251 1.192 9.637 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -44.763 2.534 10.642 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -46.484 3.270 9.596 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -46.495 3.886 7.940 1.00 0.00 H new ATOM 153 N ARG A 10 -41.538 0.766 12.382 1.00 0.00 N ATOM 154 CA ARG A 10 -41.607 -0.512 13.071 1.00 0.00 C ATOM 155 C ARG A 10 -42.268 -0.343 14.440 1.00 0.00 C ATOM 156 O ARG A 10 -42.827 -1.293 14.986 1.00 0.00 O ATOM 157 CB ARG A 10 -40.211 -1.112 13.257 1.00 0.00 C ATOM 158 CG ARG A 10 -39.858 -2.047 12.098 1.00 0.00 C ATOM 159 CD ARG A 10 -38.723 -2.997 12.487 1.00 0.00 C ATOM 160 NE ARG A 10 -39.274 -4.200 13.148 1.00 0.00 N ATOM 161 CZ ARG A 10 -39.833 -5.228 12.493 1.00 0.00 C ATOM 162 NH1 ARG A 10 -39.916 -5.204 11.156 1.00 0.00 N ATOM 163 NH2 ARG A 10 -40.307 -6.279 13.175 1.00 0.00 N ATOM 0 H ARG A 10 -40.605 1.032 12.068 1.00 0.00 H new ATOM 0 HA ARG A 10 -42.203 -1.188 12.458 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -39.473 -0.312 13.322 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -40.169 -1.661 14.198 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -40.737 -2.623 11.810 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -39.563 -1.459 11.229 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -38.159 -3.286 11.600 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -38.027 -2.491 13.156 1.00 0.00 H new ATOM 0 HE ARG A 10 -39.226 -4.251 14.166 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -39.554 -4.404 10.637 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -40.341 -5.986 10.657 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -40.243 -6.297 14.193 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -40.732 -7.061 12.676 1.00 0.00 H new ATOM 177 N LYS A 11 -42.182 0.874 14.956 1.00 0.00 N ATOM 178 CA LYS A 11 -42.766 1.181 16.252 1.00 0.00 C ATOM 179 C LYS A 11 -43.586 2.469 16.145 1.00 0.00 C ATOM 180 O LYS A 11 -43.520 3.325 17.027 1.00 0.00 O ATOM 181 CB LYS A 11 -41.682 1.229 17.329 1.00 0.00 C ATOM 182 CG LYS A 11 -41.428 -0.162 17.915 1.00 0.00 C ATOM 183 CD LYS A 11 -40.154 -0.777 17.332 1.00 0.00 C ATOM 184 CE LYS A 11 -39.992 -2.231 17.781 1.00 0.00 C ATOM 185 NZ LYS A 11 -40.123 -3.147 16.627 1.00 0.00 N ATOM 0 H LYS A 11 -41.717 1.659 14.501 1.00 0.00 H new ATOM 0 HA LYS A 11 -43.452 0.391 16.558 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -40.759 1.622 16.903 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -41.983 1.912 18.123 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -41.340 -0.093 18.999 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -42.279 -0.810 17.705 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -40.189 -0.730 16.244 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -39.288 -0.196 17.649 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -39.018 -2.366 18.251 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -40.745 -2.472 18.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -40.011 -4.129 16.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -41.062 -3.030 16.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -39.389 -2.927 15.924 1.00 0.00 H new ATOM 199 N THR A 12 -44.338 2.566 15.059 1.00 0.00 N ATOM 200 CA THR A 12 -45.168 3.735 14.826 1.00 0.00 C ATOM 201 C THR A 12 -44.347 4.854 14.183 1.00 0.00 C ATOM 202 O THR A 12 -43.333 5.280 14.734 1.00 0.00 O ATOM 203 CB THR A 12 -45.803 4.136 16.159 1.00 0.00 C ATOM 204 OG1 THR A 12 -46.110 2.894 16.786 1.00 0.00 O ATOM 205 CG2 THR A 12 -47.166 4.809 15.979 1.00 0.00 C ATOM 0 H THR A 12 -44.390 1.854 14.331 1.00 0.00 H new ATOM 0 HA THR A 12 -45.969 3.517 14.120 1.00 0.00 H new ATOM 0 HB THR A 12 -45.132 4.810 16.692 1.00 0.00 H new ATOM 0 HG1 THR A 12 -46.524 3.061 17.658 1.00 0.00 H new ATOM 0 HG21 THR A 12 -47.573 5.073 16.955 1.00 0.00 H new ATOM 0 HG22 THR A 12 -47.050 5.711 15.378 1.00 0.00 H new ATOM 0 HG23 THR A 12 -47.847 4.123 15.476 1.00 0.00 H new ATOM 213 N VAL A 13 -44.815 5.299 13.027 1.00 0.00 N ATOM 214 CA VAL A 13 -44.136 6.360 12.303 1.00 0.00 C ATOM 215 C VAL A 13 -44.835 7.692 12.584 1.00 0.00 C ATOM 216 O VAL A 13 -45.747 7.757 13.408 1.00 0.00 O ATOM 217 CB VAL A 13 -44.075 6.020 10.812 1.00 0.00 C ATOM 218 CG1 VAL A 13 -45.353 6.462 10.096 1.00 0.00 C ATOM 219 CG2 VAL A 13 -42.839 6.641 10.159 1.00 0.00 C ATOM 0 H VAL A 13 -45.657 4.944 12.573 1.00 0.00 H new ATOM 0 HA VAL A 13 -43.105 6.456 12.644 1.00 0.00 H new ATOM 0 HB VAL A 13 -43.996 4.937 10.718 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -45.284 6.209 9.038 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -46.211 5.953 10.535 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -45.476 7.540 10.204 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -42.819 6.384 9.100 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -42.875 7.725 10.269 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -41.941 6.257 10.642 1.00 0.00 H new ATOM 229 N LYS A 14 -44.383 8.721 11.884 1.00 0.00 N ATOM 230 CA LYS A 14 -44.953 10.047 12.048 1.00 0.00 C ATOM 231 C LYS A 14 -45.179 10.674 10.671 1.00 0.00 C ATOM 232 O LYS A 14 -44.266 10.722 9.850 1.00 0.00 O ATOM 233 CB LYS A 14 -44.079 10.896 12.974 1.00 0.00 C ATOM 234 CG LYS A 14 -44.658 12.303 13.136 1.00 0.00 C ATOM 235 CD LYS A 14 -44.761 12.686 14.614 1.00 0.00 C ATOM 236 CE LYS A 14 -44.441 14.168 14.820 1.00 0.00 C ATOM 237 NZ LYS A 14 -45.577 14.858 15.471 1.00 0.00 N ATOM 0 H LYS A 14 -43.628 8.663 11.201 1.00 0.00 H new ATOM 0 HA LYS A 14 -45.926 9.985 12.535 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -44.003 10.416 13.949 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -43.069 10.959 12.570 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -44.027 13.022 12.613 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -45.645 12.350 12.675 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -45.766 12.473 14.979 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -44.073 12.077 15.200 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -43.546 14.271 15.433 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -44.225 14.636 13.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -45.343 15.863 15.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -46.423 14.775 14.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -45.764 14.421 16.396 1.00 0.00 H new ATOM 251 N CYS A 15 -46.403 11.140 10.462 1.00 0.00 N ATOM 252 CA CYS A 15 -46.761 11.761 9.198 1.00 0.00 C ATOM 253 C CYS A 15 -46.481 13.262 9.305 1.00 0.00 C ATOM 254 O CYS A 15 -47.102 13.957 10.107 1.00 0.00 O ATOM 255 CB CYS A 15 -48.217 11.477 8.821 1.00 0.00 C ATOM 256 SG CYS A 15 -48.553 12.085 7.128 1.00 0.00 S ATOM 0 H CYS A 15 -47.158 11.100 11.147 1.00 0.00 H new ATOM 0 HA CYS A 15 -46.157 11.336 8.396 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -48.414 10.406 8.878 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -48.887 11.963 9.531 1.00 0.00 H new ATOM 261 N PHE A 16 -45.545 13.716 8.485 1.00 0.00 N ATOM 262 CA PHE A 16 -45.175 15.121 8.478 1.00 0.00 C ATOM 263 C PHE A 16 -46.101 15.927 7.564 1.00 0.00 C ATOM 264 O PHE A 16 -45.764 17.037 7.155 1.00 0.00 O ATOM 265 CB PHE A 16 -43.746 15.204 7.936 1.00 0.00 C ATOM 266 CG PHE A 16 -43.666 15.438 6.426 1.00 0.00 C ATOM 267 CD1 PHE A 16 -43.886 14.409 5.566 1.00 0.00 C ATOM 268 CD2 PHE A 16 -43.373 16.677 5.945 1.00 0.00 C ATOM 269 CE1 PHE A 16 -43.811 14.627 4.165 1.00 0.00 C ATOM 270 CE2 PHE A 16 -43.298 16.894 4.544 1.00 0.00 C ATOM 271 CZ PHE A 16 -43.518 15.864 3.683 1.00 0.00 C ATOM 0 H PHE A 16 -45.032 13.136 7.821 1.00 0.00 H new ATOM 0 HA PHE A 16 -45.254 15.532 9.485 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -43.221 16.011 8.447 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -43.222 14.279 8.178 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -44.118 13.426 5.948 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -43.198 17.495 6.629 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -43.987 13.809 3.482 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -43.066 17.877 4.162 1.00 0.00 H new ATOM 0 HZ PHE A 16 -43.460 16.029 2.617 1.00 0.00 H new ATOM 281 N ASN A 17 -47.251 15.337 7.272 1.00 0.00 N ATOM 282 CA ASN A 17 -48.229 15.986 6.415 1.00 0.00 C ATOM 283 C ASN A 17 -49.501 16.263 7.219 1.00 0.00 C ATOM 284 O ASN A 17 -49.971 17.399 7.271 1.00 0.00 O ATOM 285 CB ASN A 17 -48.604 15.092 5.231 1.00 0.00 C ATOM 286 CG ASN A 17 -49.886 15.583 4.558 1.00 0.00 C ATOM 287 OD1 ASN A 17 -50.054 16.755 4.264 1.00 0.00 O ATOM 288 ND2 ASN A 17 -50.779 14.624 4.330 1.00 0.00 N ATOM 0 H ASN A 17 -47.527 14.417 7.614 1.00 0.00 H new ATOM 0 HA ASN A 17 -47.790 16.912 6.043 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -47.790 15.082 4.506 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -48.739 14.066 5.574 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -51.668 14.850 3.884 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -50.575 13.662 4.601 1.00 0.00 H new ATOM 295 N CYS A 18 -50.021 15.207 7.826 1.00 0.00 N ATOM 296 CA CYS A 18 -51.230 15.322 8.625 1.00 0.00 C ATOM 297 C CYS A 18 -50.822 15.533 10.084 1.00 0.00 C ATOM 298 O CYS A 18 -51.569 16.126 10.861 1.00 0.00 O ATOM 299 CB CYS A 18 -52.138 14.103 8.455 1.00 0.00 C ATOM 300 SG CYS A 18 -51.367 12.636 9.232 1.00 0.00 S ATOM 0 H CYS A 18 -49.628 14.267 7.781 1.00 0.00 H new ATOM 0 HA CYS A 18 -51.815 16.177 8.286 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -53.110 14.297 8.909 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -52.313 13.914 7.396 1.00 0.00 H new ATOM 305 N GLY A 19 -49.640 15.036 10.412 1.00 0.00 N ATOM 306 CA GLY A 19 -49.124 15.162 11.766 1.00 0.00 C ATOM 307 C GLY A 19 -49.668 14.051 12.665 1.00 0.00 C ATOM 308 O GLY A 19 -49.905 14.269 13.853 1.00 0.00 O ATOM 0 H GLY A 19 -49.023 14.545 9.765 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -48.035 15.121 11.749 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -49.400 16.134 12.175 1.00 0.00 H new ATOM 312 N LYS A 20 -49.852 12.884 12.066 1.00 0.00 N ATOM 313 CA LYS A 20 -50.363 11.739 12.798 1.00 0.00 C ATOM 314 C LYS A 20 -49.367 10.583 12.692 1.00 0.00 C ATOM 315 O LYS A 20 -48.709 10.418 11.666 1.00 0.00 O ATOM 316 CB LYS A 20 -51.772 11.382 12.318 1.00 0.00 C ATOM 317 CG LYS A 20 -52.724 12.569 12.477 1.00 0.00 C ATOM 318 CD LYS A 20 -53.795 12.277 13.530 1.00 0.00 C ATOM 319 CE LYS A 20 -54.160 13.543 14.307 1.00 0.00 C ATOM 320 NZ LYS A 20 -54.849 13.196 15.570 1.00 0.00 N ATOM 0 H LYS A 20 -49.656 12.707 11.081 1.00 0.00 H new ATOM 0 HA LYS A 20 -50.462 11.978 13.857 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -51.737 11.077 11.272 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -52.148 10.531 12.886 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -52.160 13.456 12.764 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -53.199 12.789 11.521 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -54.685 11.874 13.047 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -53.433 11.514 14.220 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -53.259 14.116 14.523 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -54.803 14.178 13.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -55.090 14.067 16.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -55.719 12.668 15.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -54.223 12.609 16.157 1.00 0.00 H new ATOM 334 N GLU A 21 -49.286 9.813 13.767 1.00 0.00 N ATOM 335 CA GLU A 21 -48.378 8.678 13.808 1.00 0.00 C ATOM 336 C GLU A 21 -49.071 7.427 13.263 1.00 0.00 C ATOM 337 O GLU A 21 -50.298 7.347 13.250 1.00 0.00 O ATOM 338 CB GLU A 21 -47.859 8.441 15.228 1.00 0.00 C ATOM 339 CG GLU A 21 -48.988 7.990 16.157 1.00 0.00 C ATOM 340 CD GLU A 21 -48.769 8.510 17.579 1.00 0.00 C ATOM 341 OE1 GLU A 21 -48.476 9.719 17.702 1.00 0.00 O ATOM 342 OE2 GLU A 21 -48.900 7.687 18.511 1.00 0.00 O ATOM 0 H GLU A 21 -49.834 9.952 14.616 1.00 0.00 H new ATOM 0 HA GLU A 21 -47.519 8.901 13.175 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -47.074 7.685 15.210 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -47.411 9.357 15.613 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -49.943 8.352 15.777 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -49.041 6.901 16.168 1.00 0.00 H new ATOM 349 N GLY A 22 -48.253 6.481 12.825 1.00 0.00 N ATOM 350 CA GLY A 22 -48.771 5.238 12.280 1.00 0.00 C ATOM 351 C GLY A 22 -48.447 5.117 10.789 1.00 0.00 C ATOM 352 O GLY A 22 -48.237 4.016 10.283 1.00 0.00 O ATOM 0 H GLY A 22 -47.235 6.551 12.837 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -48.342 4.393 12.819 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -49.850 5.194 12.426 1.00 0.00 H new ATOM 356 N HIS A 23 -48.418 6.264 10.128 1.00 0.00 N ATOM 357 CA HIS A 23 -48.125 6.301 8.705 1.00 0.00 C ATOM 358 C HIS A 23 -47.382 7.596 8.368 1.00 0.00 C ATOM 359 O HIS A 23 -47.221 8.464 9.222 1.00 0.00 O ATOM 360 CB HIS A 23 -49.402 6.118 7.881 1.00 0.00 C ATOM 361 CG HIS A 23 -50.290 7.338 7.846 1.00 0.00 C ATOM 362 ND1 HIS A 23 -51.411 7.473 8.646 1.00 0.00 N ATOM 363 CD2 HIS A 23 -50.209 8.478 7.100 1.00 0.00 C ATOM 364 CE1 HIS A 23 -51.973 8.645 8.383 1.00 0.00 C ATOM 365 NE2 HIS A 23 -51.227 9.265 7.425 1.00 0.00 N ATOM 0 H HIS A 23 -48.593 7.175 10.551 1.00 0.00 H new ATOM 0 HA HIS A 23 -47.472 5.469 8.443 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -49.128 5.851 6.860 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -49.968 5.281 8.289 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -51.748 6.788 9.323 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -49.446 8.702 6.369 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -52.865 9.039 8.846 1.00 0.00 H new ATOM 373 N ILE A 24 -46.951 7.683 7.118 1.00 0.00 N ATOM 374 CA ILE A 24 -46.228 8.857 6.656 1.00 0.00 C ATOM 375 C ILE A 24 -47.007 9.513 5.514 1.00 0.00 C ATOM 376 O ILE A 24 -47.846 8.872 4.882 1.00 0.00 O ATOM 377 CB ILE A 24 -44.789 8.491 6.289 1.00 0.00 C ATOM 378 CG1 ILE A 24 -44.752 7.267 5.371 1.00 0.00 C ATOM 379 CG2 ILE A 24 -43.936 8.292 7.544 1.00 0.00 C ATOM 380 CD1 ILE A 24 -43.312 6.901 5.003 1.00 0.00 C ATOM 0 H ILE A 24 -47.088 6.961 6.411 1.00 0.00 H new ATOM 0 HA ILE A 24 -46.150 9.595 7.454 1.00 0.00 H new ATOM 0 HB ILE A 24 -44.356 9.323 5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -45.231 6.422 5.866 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -45.322 7.470 4.465 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -42.918 8.033 7.254 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -43.924 9.214 8.126 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -44.358 7.488 8.147 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -43.314 6.028 4.350 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -42.844 7.739 4.487 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -42.751 6.675 5.910 1.00 0.00 H new ATOM 392 N ALA A 25 -46.703 10.781 5.285 1.00 0.00 N ATOM 393 CA ALA A 25 -47.364 11.531 4.230 1.00 0.00 C ATOM 394 C ALA A 25 -47.244 10.762 2.912 1.00 0.00 C ATOM 395 O ALA A 25 -48.183 10.735 2.117 1.00 0.00 O ATOM 396 CB ALA A 25 -46.758 12.933 4.143 1.00 0.00 C ATOM 0 H ALA A 25 -46.007 11.309 5.812 1.00 0.00 H new ATOM 0 HA ALA A 25 -48.425 11.647 4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -47.254 13.495 3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -46.894 13.448 5.094 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -45.694 12.856 3.921 1.00 0.00 H new ATOM 402 N LYS A 26 -46.082 10.155 2.721 1.00 0.00 N ATOM 403 CA LYS A 26 -45.828 9.388 1.514 1.00 0.00 C ATOM 404 C LYS A 26 -47.079 8.585 1.152 1.00 0.00 C ATOM 405 O LYS A 26 -47.314 8.290 -0.019 1.00 0.00 O ATOM 406 CB LYS A 26 -44.573 8.529 1.680 1.00 0.00 C ATOM 407 CG LYS A 26 -44.928 7.040 1.715 1.00 0.00 C ATOM 408 CD LYS A 26 -43.665 6.176 1.732 1.00 0.00 C ATOM 409 CE LYS A 26 -42.616 6.718 0.759 1.00 0.00 C ATOM 410 NZ LYS A 26 -43.206 6.906 -0.586 1.00 0.00 N ATOM 0 H LYS A 26 -45.306 10.179 3.382 1.00 0.00 H new ATOM 0 HA LYS A 26 -45.623 10.054 0.676 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -43.884 8.723 0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -44.058 8.805 2.600 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -45.531 6.827 2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -45.535 6.786 0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -43.252 6.150 2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -43.918 5.150 1.465 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -42.225 7.667 1.127 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -41.774 6.028 0.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -42.684 6.331 -1.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -44.203 6.610 -0.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -43.146 7.909 -0.854 1.00 0.00 H new ATOM 424 N ASN A 27 -47.849 8.256 2.178 1.00 0.00 N ATOM 425 CA ASN A 27 -49.071 7.493 1.984 1.00 0.00 C ATOM 426 C ASN A 27 -50.073 7.855 3.081 1.00 0.00 C ATOM 427 O ASN A 27 -50.530 6.984 3.820 1.00 0.00 O ATOM 428 CB ASN A 27 -48.801 5.990 2.066 1.00 0.00 C ATOM 429 CG ASN A 27 -47.567 5.700 2.923 1.00 0.00 C ATOM 430 OD1 ASN A 27 -47.547 6.354 4.082 1.00 0.00 O flip ATOM 431 ND2 ASN A 27 -46.691 4.934 2.558 1.00 0.00 N flip ATOM 0 H ASN A 27 -47.651 8.504 3.147 1.00 0.00 H new ATOM 0 HA ASN A 27 -49.466 7.734 0.997 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -49.669 5.484 2.489 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -48.654 5.588 1.063 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -46.768 4.464 1.656 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -45.882 4.763 3.155 1.00 0.00 H new ATOM 438 N CYS A 28 -50.385 9.140 3.153 1.00 0.00 N ATOM 439 CA CYS A 28 -51.326 9.628 4.148 1.00 0.00 C ATOM 440 C CYS A 28 -52.730 9.175 3.744 1.00 0.00 C ATOM 441 O CYS A 28 -53.056 9.133 2.559 1.00 0.00 O ATOM 442 CB CYS A 28 -51.241 11.146 4.310 1.00 0.00 C ATOM 443 SG CYS A 28 -52.341 11.692 5.667 1.00 0.00 S ATOM 0 H CYS A 28 -50.003 9.859 2.539 1.00 0.00 H new ATOM 0 HA CYS A 28 -51.077 9.210 5.123 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -50.213 11.440 4.523 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -51.527 11.636 3.379 1.00 0.00 H new ATOM 448 N ARG A 29 -53.524 8.845 4.752 1.00 0.00 N ATOM 449 CA ARG A 29 -54.886 8.397 4.517 1.00 0.00 C ATOM 450 C ARG A 29 -55.882 9.479 4.940 1.00 0.00 C ATOM 451 O ARG A 29 -57.008 9.173 5.329 1.00 0.00 O ATOM 452 CB ARG A 29 -55.183 7.110 5.289 1.00 0.00 C ATOM 453 CG ARG A 29 -55.855 6.072 4.389 1.00 0.00 C ATOM 454 CD ARG A 29 -57.056 5.434 5.088 1.00 0.00 C ATOM 455 NE ARG A 29 -58.198 6.375 5.097 1.00 0.00 N ATOM 456 CZ ARG A 29 -59.077 6.499 4.093 1.00 0.00 C ATOM 457 NH1 ARG A 29 -58.952 5.741 2.996 1.00 0.00 N ATOM 458 NH2 ARG A 29 -60.082 7.381 4.188 1.00 0.00 N ATOM 0 H ARG A 29 -53.250 8.879 5.734 1.00 0.00 H new ATOM 0 HA ARG A 29 -54.991 8.200 3.450 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -54.256 6.701 5.692 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -55.829 7.332 6.138 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -56.179 6.545 3.462 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -55.135 5.300 4.119 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -57.337 4.513 4.577 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -56.790 5.163 6.110 1.00 0.00 H new ATOM 0 HE ARG A 29 -58.324 6.966 5.919 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -58.188 5.069 2.925 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -59.621 5.835 2.232 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -60.177 7.957 5.024 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -60.751 7.476 3.424 1.00 0.00 H new ATOM 472 N ALA A 30 -55.429 10.721 4.852 1.00 0.00 N ATOM 473 CA ALA A 30 -56.267 11.850 5.220 1.00 0.00 C ATOM 474 C ALA A 30 -57.429 11.963 4.232 1.00 0.00 C ATOM 475 O ALA A 30 -57.222 12.265 3.057 1.00 0.00 O ATOM 476 CB ALA A 30 -55.417 13.121 5.269 1.00 0.00 C ATOM 0 H ALA A 30 -54.493 10.970 4.532 1.00 0.00 H new ATOM 0 HA ALA A 30 -56.693 11.704 6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -56.045 13.968 5.545 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -54.625 13.001 6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -54.975 13.301 4.289 1.00 0.00 H new ATOM 482 N PRO A 31 -58.657 11.707 4.756 1.00 0.00 N ATOM 483 CA PRO A 31 -59.852 11.776 3.933 1.00 0.00 C ATOM 484 C PRO A 31 -60.238 13.230 3.648 1.00 0.00 C ATOM 485 O PRO A 31 -61.386 13.621 3.851 1.00 0.00 O ATOM 486 CB PRO A 31 -60.914 11.022 4.716 1.00 0.00 C ATOM 487 CG PRO A 31 -60.410 10.960 6.149 1.00 0.00 C ATOM 488 CD PRO A 31 -58.940 11.346 6.143 1.00 0.00 C ATOM 0 HA PRO A 31 -59.711 11.330 2.949 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -61.875 11.533 4.662 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -61.062 10.021 4.310 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -60.980 11.638 6.784 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -60.540 9.957 6.556 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -58.747 12.181 6.817 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -58.312 10.518 6.473 1.00 0.00 H new ATOM 496 N ARG A 32 -59.257 13.989 3.183 1.00 0.00 N ATOM 497 CA ARG A 32 -59.480 15.390 2.869 1.00 0.00 C ATOM 498 C ARG A 32 -59.982 15.537 1.431 1.00 0.00 C ATOM 499 O ARG A 32 -60.146 14.546 0.722 1.00 0.00 O ATOM 500 CB ARG A 32 -58.195 16.203 3.040 1.00 0.00 C ATOM 501 CG ARG A 32 -57.211 15.918 1.904 1.00 0.00 C ATOM 502 CD ARG A 32 -55.823 15.579 2.452 1.00 0.00 C ATOM 503 NE ARG A 32 -54.778 16.076 1.528 1.00 0.00 N ATOM 504 CZ ARG A 32 -53.536 15.577 1.462 1.00 0.00 C ATOM 505 NH1 ARG A 32 -53.176 14.566 2.264 1.00 0.00 N ATOM 506 NH2 ARG A 32 -52.654 16.090 0.594 1.00 0.00 N ATOM 0 H ARG A 32 -58.306 13.660 3.016 1.00 0.00 H new ATOM 0 HA ARG A 32 -60.232 15.771 3.560 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -58.433 17.266 3.061 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -57.732 15.961 3.997 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -57.579 15.090 1.299 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -57.145 16.787 1.249 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -55.692 16.028 3.437 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -55.726 14.501 2.577 1.00 0.00 H new ATOM 0 HE ARG A 32 -55.018 16.846 0.903 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -53.847 14.176 2.925 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -52.231 14.187 2.213 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -52.928 16.860 -0.016 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -51.709 15.711 0.543 1.00 0.00 H new ATOM 520 N LYS A 33 -60.212 16.783 1.044 1.00 0.00 N ATOM 521 CA LYS A 33 -60.692 17.075 -0.296 1.00 0.00 C ATOM 522 C LYS A 33 -59.955 18.298 -0.843 1.00 0.00 C ATOM 523 O LYS A 33 -60.578 19.219 -1.369 1.00 0.00 O ATOM 524 CB LYS A 33 -62.215 17.222 -0.299 1.00 0.00 C ATOM 525 CG LYS A 33 -62.649 18.448 0.506 1.00 0.00 C ATOM 526 CD LYS A 33 -63.548 19.362 -0.330 1.00 0.00 C ATOM 527 CE LYS A 33 -65.019 18.968 -0.181 1.00 0.00 C ATOM 528 NZ LYS A 33 -65.853 20.164 0.071 1.00 0.00 N ATOM 0 H LYS A 33 -60.075 17.603 1.636 1.00 0.00 H new ATOM 0 HA LYS A 33 -60.473 16.245 -0.968 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -62.573 17.310 -1.325 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -62.671 16.326 0.122 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -63.181 18.129 1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -61.770 19.000 0.837 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -63.411 20.397 -0.018 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -63.257 19.305 -1.379 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -65.360 18.464 -1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -65.131 18.260 0.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -66.848 19.879 0.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -65.538 20.629 0.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -65.760 20.826 -0.726 1.00 0.00 H new ATOM 542 N LYS A 34 -58.638 18.268 -0.701 1.00 0.00 N ATOM 543 CA LYS A 34 -57.809 19.364 -1.173 1.00 0.00 C ATOM 544 C LYS A 34 -58.039 20.590 -0.288 1.00 0.00 C ATOM 545 O LYS A 34 -59.129 21.159 -0.279 1.00 0.00 O ATOM 546 CB LYS A 34 -58.061 19.623 -2.661 1.00 0.00 C ATOM 547 CG LYS A 34 -56.998 18.941 -3.524 1.00 0.00 C ATOM 548 CD LYS A 34 -57.587 18.482 -4.860 1.00 0.00 C ATOM 549 CE LYS A 34 -56.532 18.524 -5.967 1.00 0.00 C ATOM 550 NZ LYS A 34 -55.707 17.296 -5.944 1.00 0.00 N ATOM 0 H LYS A 34 -58.124 17.502 -0.266 1.00 0.00 H new ATOM 0 HA LYS A 34 -56.753 19.106 -1.092 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -59.049 19.254 -2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -58.057 20.696 -2.853 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -56.173 19.631 -3.704 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -56.586 18.084 -2.991 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -57.976 17.468 -4.761 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -58.428 19.121 -5.130 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -57.018 18.624 -6.937 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -55.895 19.399 -5.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -54.996 17.341 -6.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -55.228 17.217 -5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -56.316 16.466 -6.090 1.00 0.00 H new ATOM 564 N GLY A 35 -56.992 20.963 0.434 1.00 0.00 N ATOM 565 CA GLY A 35 -57.065 22.112 1.320 1.00 0.00 C ATOM 566 C GLY A 35 -55.668 22.568 1.743 1.00 0.00 C ATOM 567 O GLY A 35 -54.737 21.765 1.792 1.00 0.00 O ATOM 0 H GLY A 35 -56.089 20.490 0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -57.582 22.930 0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -57.651 21.858 2.203 1.00 0.00 H new ATOM 571 N CYS A 36 -55.564 23.856 2.038 1.00 0.00 N ATOM 572 CA CYS A 36 -54.296 24.429 2.455 1.00 0.00 C ATOM 573 C CYS A 36 -53.978 23.919 3.862 1.00 0.00 C ATOM 574 O CYS A 36 -54.588 24.355 4.836 1.00 0.00 O ATOM 575 CB CYS A 36 -54.318 25.958 2.392 1.00 0.00 C ATOM 576 SG CYS A 36 -52.672 26.625 2.833 1.00 0.00 S ATOM 0 H CYS A 36 -56.338 24.519 1.996 1.00 0.00 H new ATOM 0 HA CYS A 36 -53.509 24.115 1.770 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -54.596 26.285 1.390 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -55.073 26.348 3.075 1.00 0.00 H new ATOM 581 N TRP A 37 -53.023 23.003 3.923 1.00 0.00 N ATOM 582 CA TRP A 37 -52.617 22.428 5.195 1.00 0.00 C ATOM 583 C TRP A 37 -51.510 23.309 5.778 1.00 0.00 C ATOM 584 O TRP A 37 -50.811 22.902 6.706 1.00 0.00 O ATOM 585 CB TRP A 37 -52.193 20.969 5.026 1.00 0.00 C ATOM 586 CG TRP A 37 -50.720 20.707 5.345 1.00 0.00 C ATOM 587 CD1 TRP A 37 -50.209 19.956 6.330 1.00 0.00 C ATOM 588 CD2 TRP A 37 -49.579 21.230 4.631 1.00 0.00 C ATOM 589 NE1 TRP A 37 -48.830 19.956 6.304 1.00 0.00 N ATOM 590 CE2 TRP A 37 -48.434 20.756 5.239 1.00 0.00 C ATOM 591 CE3 TRP A 37 -49.518 22.076 3.511 1.00 0.00 C ATOM 592 CZ2 TRP A 37 -47.144 21.073 4.795 1.00 0.00 C ATOM 593 CZ3 TRP A 37 -48.222 22.384 3.080 1.00 0.00 C ATOM 594 CH2 TRP A 37 -47.059 21.915 3.681 1.00 0.00 C ATOM 0 H TRP A 37 -52.518 22.644 3.112 1.00 0.00 H new ATOM 0 HA TRP A 37 -53.452 22.408 5.895 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -52.810 20.345 5.672 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -52.392 20.660 4.000 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -50.803 19.418 7.054 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -48.214 19.460 6.948 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -50.401 22.459 3.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -46.262 20.688 5.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -48.118 23.031 2.221 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -46.094 22.200 3.289 1.00 0.00 H new ATOM 605 N LYS A 38 -51.384 24.499 5.210 1.00 0.00 N ATOM 606 CA LYS A 38 -50.373 25.440 5.663 1.00 0.00 C ATOM 607 C LYS A 38 -51.035 26.517 6.525 1.00 0.00 C ATOM 608 O LYS A 38 -50.435 27.009 7.480 1.00 0.00 O ATOM 609 CB LYS A 38 -49.591 26.001 4.473 1.00 0.00 C ATOM 610 CG LYS A 38 -48.453 26.908 4.944 1.00 0.00 C ATOM 611 CD LYS A 38 -47.137 26.134 5.036 1.00 0.00 C ATOM 612 CE LYS A 38 -45.997 26.908 4.372 1.00 0.00 C ATOM 613 NZ LYS A 38 -44.696 26.258 4.652 1.00 0.00 N ATOM 0 H LYS A 38 -51.964 24.833 4.441 1.00 0.00 H new ATOM 0 HA LYS A 38 -49.637 24.936 6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -49.186 25.181 3.880 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -50.263 26.562 3.823 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -48.340 27.744 4.253 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -48.699 27.330 5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -46.893 25.947 6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -47.249 25.162 4.556 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -46.161 26.957 3.296 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -45.984 27.934 4.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -43.933 26.796 4.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -44.534 26.234 5.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -44.706 25.287 4.280 1.00 0.00 H new ATOM 627 N CYS A 39 -52.264 26.852 6.159 1.00 0.00 N ATOM 628 CA CYS A 39 -53.013 27.861 6.886 1.00 0.00 C ATOM 629 C CYS A 39 -54.163 27.169 7.621 1.00 0.00 C ATOM 630 O CYS A 39 -54.413 27.447 8.792 1.00 0.00 O ATOM 631 CB CYS A 39 -53.514 28.972 5.961 1.00 0.00 C ATOM 632 SG CYS A 39 -54.656 28.278 4.711 1.00 0.00 S ATOM 0 H CYS A 39 -52.759 26.441 5.367 1.00 0.00 H new ATOM 0 HA CYS A 39 -52.361 28.349 7.610 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -54.023 29.740 6.544 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -52.670 29.453 5.467 1.00 0.00 H new ATOM 637 N GLY A 40 -54.832 26.280 6.901 1.00 0.00 N ATOM 638 CA GLY A 40 -55.949 25.546 7.469 1.00 0.00 C ATOM 639 C GLY A 40 -57.259 25.909 6.765 1.00 0.00 C ATOM 640 O GLY A 40 -58.328 25.862 7.373 1.00 0.00 O ATOM 0 H GLY A 40 -54.621 26.052 5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -55.768 24.475 7.379 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -56.031 25.767 8.533 1.00 0.00 H new ATOM 644 N LYS A 41 -57.132 26.262 5.495 1.00 0.00 N ATOM 645 CA LYS A 41 -58.293 26.633 4.703 1.00 0.00 C ATOM 646 C LYS A 41 -58.414 25.684 3.509 1.00 0.00 C ATOM 647 O LYS A 41 -57.540 25.653 2.644 1.00 0.00 O ATOM 648 CB LYS A 41 -58.222 28.110 4.309 1.00 0.00 C ATOM 649 CG LYS A 41 -59.163 28.953 5.172 1.00 0.00 C ATOM 650 CD LYS A 41 -58.613 29.112 6.590 1.00 0.00 C ATOM 651 CE LYS A 41 -59.711 28.893 7.633 1.00 0.00 C ATOM 652 NZ LYS A 41 -59.865 30.096 8.482 1.00 0.00 N ATOM 0 H LYS A 41 -56.244 26.299 4.995 1.00 0.00 H new ATOM 0 HA LYS A 41 -59.205 26.526 5.290 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -57.200 28.471 4.420 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -58.488 28.223 3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -59.297 29.935 4.718 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -60.146 28.483 5.210 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -57.805 28.399 6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -58.187 30.108 6.709 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -60.654 28.668 7.135 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -59.465 28.031 8.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -60.876 30.294 8.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -59.413 29.930 9.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -59.414 30.909 8.017 1.00 0.00 H new ATOM 666 N GLU A 42 -59.504 24.932 3.501 1.00 0.00 N ATOM 667 CA GLU A 42 -59.752 23.985 2.428 1.00 0.00 C ATOM 668 C GLU A 42 -60.153 24.722 1.150 1.00 0.00 C ATOM 669 O GLU A 42 -60.622 25.858 1.205 1.00 0.00 O ATOM 670 CB GLU A 42 -60.820 22.966 2.832 1.00 0.00 C ATOM 671 CG GLU A 42 -62.175 23.646 3.039 1.00 0.00 C ATOM 672 CD GLU A 42 -62.559 23.662 4.520 1.00 0.00 C ATOM 673 OE1 GLU A 42 -61.625 23.743 5.347 1.00 0.00 O ATOM 674 OE2 GLU A 42 -63.778 23.595 4.791 1.00 0.00 O ATOM 0 H GLU A 42 -60.226 24.959 4.221 1.00 0.00 H new ATOM 0 HA GLU A 42 -58.830 23.438 2.233 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -60.907 22.200 2.061 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -60.518 22.462 3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -62.136 24.667 2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -62.940 23.122 2.467 1.00 0.00 H new ATOM 681 N GLY A 43 -59.954 24.047 0.027 1.00 0.00 N ATOM 682 CA GLY A 43 -60.290 24.625 -1.263 1.00 0.00 C ATOM 683 C GLY A 43 -59.025 24.951 -2.063 1.00 0.00 C ATOM 684 O GLY A 43 -59.037 24.915 -3.291 1.00 0.00 O ATOM 0 H GLY A 43 -59.564 23.105 -0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -60.912 23.930 -1.826 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -60.877 25.532 -1.118 1.00 0.00 H new ATOM 688 N HIS A 44 -57.966 25.266 -1.331 1.00 0.00 N ATOM 689 CA HIS A 44 -56.698 25.598 -1.957 1.00 0.00 C ATOM 690 C HIS A 44 -55.571 24.818 -1.278 1.00 0.00 C ATOM 691 O HIS A 44 -55.824 23.974 -0.420 1.00 0.00 O ATOM 692 CB HIS A 44 -56.466 27.111 -1.940 1.00 0.00 C ATOM 693 CG HIS A 44 -56.048 27.654 -0.594 1.00 0.00 C ATOM 694 ND1 HIS A 44 -56.912 27.731 0.484 1.00 0.00 N ATOM 695 CD2 HIS A 44 -54.850 28.144 -0.163 1.00 0.00 C ATOM 696 CE1 HIS A 44 -56.255 28.247 1.511 1.00 0.00 C ATOM 697 NE2 HIS A 44 -54.977 28.503 1.108 1.00 0.00 N ATOM 0 H HIS A 44 -57.960 25.298 -0.312 1.00 0.00 H new ATOM 0 HA HIS A 44 -56.716 25.302 -3.006 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -55.699 27.359 -2.674 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -57.382 27.612 -2.254 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -57.889 27.440 0.487 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -53.951 28.226 -0.756 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -56.660 28.433 2.495 1.00 0.00 H new ATOM 705 N GLN A 45 -54.349 25.129 -1.687 1.00 0.00 N ATOM 706 CA GLN A 45 -53.182 24.467 -1.129 1.00 0.00 C ATOM 707 C GLN A 45 -52.130 25.500 -0.723 1.00 0.00 C ATOM 708 O GLN A 45 -52.244 26.676 -1.066 1.00 0.00 O ATOM 709 CB GLN A 45 -52.602 23.453 -2.118 1.00 0.00 C ATOM 710 CG GLN A 45 -51.841 24.158 -3.244 1.00 0.00 C ATOM 711 CD GLN A 45 -50.469 23.518 -3.462 1.00 0.00 C ATOM 712 OE1 GLN A 45 -49.698 23.313 -2.539 1.00 0.00 O ATOM 713 NE2 GLN A 45 -50.209 23.216 -4.730 1.00 0.00 N ATOM 0 H GLN A 45 -54.142 25.830 -2.398 1.00 0.00 H new ATOM 0 HA GLN A 45 -53.490 23.921 -0.237 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -51.933 22.770 -1.594 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -53.406 22.850 -2.540 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -52.420 24.108 -4.166 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -51.719 25.213 -3.000 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -50.900 23.415 -5.454 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -49.319 22.785 -4.979 1.00 0.00 H new ATOM 722 N MET A 46 -51.128 25.024 0.003 1.00 0.00 N ATOM 723 CA MET A 46 -50.057 25.892 0.460 1.00 0.00 C ATOM 724 C MET A 46 -49.435 26.658 -0.710 1.00 0.00 C ATOM 725 O MET A 46 -49.137 27.846 -0.590 1.00 0.00 O ATOM 726 CB MET A 46 -48.980 25.054 1.151 1.00 0.00 C ATOM 727 CG MET A 46 -47.813 25.930 1.612 1.00 0.00 C ATOM 728 SD MET A 46 -46.486 25.857 0.420 1.00 0.00 S ATOM 729 CE MET A 46 -45.781 24.271 0.839 1.00 0.00 C ATOM 0 H MET A 46 -51.036 24.048 0.286 1.00 0.00 H new ATOM 0 HA MET A 46 -50.474 26.614 1.162 1.00 0.00 H new ATOM 0 HB2 MET A 46 -49.411 24.537 2.008 1.00 0.00 H new ATOM 0 HB3 MET A 46 -48.616 24.288 0.466 1.00 0.00 H new ATOM 0 HG2 MET A 46 -48.147 26.960 1.734 1.00 0.00 H new ATOM 0 HG3 MET A 46 -47.457 25.593 2.586 1.00 0.00 H new ATOM 0 HE1 MET A 46 -44.729 24.254 0.555 1.00 0.00 H new ATOM 0 HE2 MET A 46 -45.870 24.106 1.913 1.00 0.00 H new ATOM 0 HE3 MET A 46 -46.314 23.484 0.305 1.00 0.00 H new ATOM 739 N LYS A 47 -49.259 25.948 -1.813 1.00 0.00 N ATOM 740 CA LYS A 47 -48.678 26.546 -3.003 1.00 0.00 C ATOM 741 C LYS A 47 -49.470 27.801 -3.376 1.00 0.00 C ATOM 742 O LYS A 47 -48.924 28.731 -3.968 1.00 0.00 O ATOM 743 CB LYS A 47 -48.589 25.517 -4.132 1.00 0.00 C ATOM 744 CG LYS A 47 -47.547 25.932 -5.173 1.00 0.00 C ATOM 745 CD LYS A 47 -46.243 25.157 -4.982 1.00 0.00 C ATOM 746 CE LYS A 47 -46.336 23.763 -5.605 1.00 0.00 C ATOM 747 NZ LYS A 47 -45.174 22.939 -5.207 1.00 0.00 N ATOM 0 H LYS A 47 -49.508 24.964 -1.909 1.00 0.00 H new ATOM 0 HA LYS A 47 -47.653 26.861 -2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -48.328 24.542 -3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -49.563 25.411 -4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -47.937 25.753 -6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -47.354 27.002 -5.093 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -45.419 25.708 -5.436 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -46.020 25.070 -3.919 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -47.259 23.278 -5.288 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -46.376 23.846 -6.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -45.253 21.996 -5.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -44.297 23.396 -5.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -45.153 22.845 -4.171 1.00 0.00 H new ATOM 761 N ASP A 48 -50.745 27.787 -3.015 1.00 0.00 N ATOM 762 CA ASP A 48 -51.617 28.912 -3.304 1.00 0.00 C ATOM 763 C ASP A 48 -52.250 29.410 -2.003 1.00 0.00 C ATOM 764 O ASP A 48 -53.366 29.923 -2.008 1.00 0.00 O ATOM 765 CB ASP A 48 -52.747 28.504 -4.253 1.00 0.00 C ATOM 766 CG ASP A 48 -52.921 29.407 -5.476 1.00 0.00 C ATOM 767 OD1 ASP A 48 -53.137 30.619 -5.260 1.00 0.00 O ATOM 768 OD2 ASP A 48 -52.836 28.864 -6.598 1.00 0.00 O ATOM 0 H ASP A 48 -51.195 27.014 -2.525 1.00 0.00 H new ATOM 0 HA ASP A 48 -51.016 29.692 -3.772 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -52.564 27.485 -4.595 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -53.683 28.489 -3.695 1.00 0.00 H new ATOM 773 N CYS A 49 -51.507 29.238 -0.919 1.00 0.00 N ATOM 774 CA CYS A 49 -51.981 29.663 0.387 1.00 0.00 C ATOM 775 C CYS A 49 -52.505 31.095 0.265 1.00 0.00 C ATOM 776 O CYS A 49 -51.930 31.911 -0.453 1.00 0.00 O ATOM 777 CB CYS A 49 -50.889 29.544 1.452 1.00 0.00 C ATOM 778 SG CYS A 49 -51.611 29.772 3.118 1.00 0.00 S ATOM 0 H CYS A 49 -50.581 28.810 -0.919 1.00 0.00 H new ATOM 0 HA CYS A 49 -52.788 29.008 0.714 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -50.409 28.567 1.385 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -50.116 30.292 1.277 1.00 0.00 H new ATOM 783 N THR A 50 -53.590 31.358 0.979 1.00 0.00 N ATOM 784 CA THR A 50 -54.198 32.678 0.961 1.00 0.00 C ATOM 785 C THR A 50 -54.399 33.192 2.387 1.00 0.00 C ATOM 786 O THR A 50 -54.951 34.274 2.589 1.00 0.00 O ATOM 787 CB THR A 50 -55.498 32.588 0.158 1.00 0.00 C ATOM 788 OG1 THR A 50 -55.928 33.941 0.044 1.00 0.00 O ATOM 789 CG2 THR A 50 -56.621 31.903 0.938 1.00 0.00 C ATOM 0 H THR A 50 -54.064 30.679 1.574 1.00 0.00 H new ATOM 0 HA THR A 50 -53.549 33.406 0.476 1.00 0.00 H new ATOM 0 HB THR A 50 -55.317 32.044 -0.769 1.00 0.00 H new ATOM 0 HG1 THR A 50 -55.675 34.434 0.852 1.00 0.00 H new ATOM 0 HG21 THR A 50 -57.520 31.865 0.323 1.00 0.00 H new ATOM 0 HG22 THR A 50 -56.317 30.889 1.199 1.00 0.00 H new ATOM 0 HG23 THR A 50 -56.827 32.466 1.848 1.00 0.00 H new ATOM 797 N GLU A 51 -53.941 32.394 3.341 1.00 0.00 N ATOM 798 CA GLU A 51 -54.063 32.756 4.743 1.00 0.00 C ATOM 799 C GLU A 51 -55.403 33.451 4.996 1.00 0.00 C ATOM 800 O GLU A 51 -55.443 34.649 5.272 1.00 0.00 O ATOM 801 CB GLU A 51 -52.896 33.639 5.185 1.00 0.00 C ATOM 802 CG GLU A 51 -52.064 32.948 6.267 1.00 0.00 C ATOM 803 CD GLU A 51 -51.268 33.967 7.083 1.00 0.00 C ATOM 804 OE1 GLU A 51 -51.895 34.955 7.523 1.00 0.00 O ATOM 805 OE2 GLU A 51 -50.051 33.736 7.250 1.00 0.00 O ATOM 0 H GLU A 51 -53.485 31.498 3.170 1.00 0.00 H new ATOM 0 HA GLU A 51 -54.030 31.843 5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -52.264 33.869 4.327 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -53.276 34.587 5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -52.720 32.381 6.928 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -51.382 32.234 5.805 1.00 0.00 H new ATOM 812 N ARG A 52 -56.467 32.669 4.893 1.00 0.00 N ATOM 813 CA ARG A 52 -57.805 33.194 5.109 1.00 0.00 C ATOM 814 C ARG A 52 -58.112 33.268 6.606 1.00 0.00 C ATOM 815 O ARG A 52 -58.458 32.262 7.223 1.00 0.00 O ATOM 816 CB ARG A 52 -58.857 32.321 4.422 1.00 0.00 C ATOM 817 CG ARG A 52 -59.693 33.140 3.437 1.00 0.00 C ATOM 818 CD ARG A 52 -61.100 33.385 3.986 1.00 0.00 C ATOM 819 NE ARG A 52 -62.035 33.667 2.872 1.00 0.00 N ATOM 820 CZ ARG A 52 -63.241 34.230 3.029 1.00 0.00 C ATOM 821 NH1 ARG A 52 -63.666 34.575 4.252 1.00 0.00 N ATOM 822 NH2 ARG A 52 -64.022 34.447 1.962 1.00 0.00 N ATOM 0 H ARG A 52 -56.430 31.676 4.663 1.00 0.00 H new ATOM 0 HA ARG A 52 -57.842 34.194 4.678 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -58.367 31.502 3.895 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -59.509 31.873 5.172 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -59.203 34.094 3.243 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -59.757 32.615 2.484 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -61.439 32.512 4.544 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -61.087 34.224 4.682 1.00 0.00 H new ATOM 0 HE ARG A 52 -61.743 33.417 1.927 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -63.072 34.409 5.064 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -64.584 35.003 4.371 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -63.698 34.184 1.031 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -64.940 34.875 2.081 1.00 0.00 H new ATOM 836 N GLN A 53 -57.975 34.469 7.147 1.00 0.00 N ATOM 837 CA GLN A 53 -58.233 34.688 8.560 1.00 0.00 C ATOM 838 C GLN A 53 -57.271 33.855 9.410 1.00 0.00 C ATOM 839 O GLN A 53 -56.967 32.713 9.070 1.00 0.00 O ATOM 840 CB GLN A 53 -59.689 34.369 8.906 1.00 0.00 C ATOM 841 CG GLN A 53 -60.451 35.639 9.292 1.00 0.00 C ATOM 842 CD GLN A 53 -61.848 35.301 9.817 1.00 0.00 C ATOM 843 OE1 GLN A 53 -62.754 34.962 9.075 1.00 0.00 O ATOM 844 NE2 GLN A 53 -61.970 35.411 11.138 1.00 0.00 N ATOM 0 H GLN A 53 -57.688 35.302 6.632 1.00 0.00 H new ATOM 0 HA GLN A 53 -58.064 35.741 8.783 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -60.174 33.895 8.053 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -59.723 33.656 9.729 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -59.894 36.184 10.054 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -60.533 36.296 8.426 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -61.171 35.700 11.702 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -62.863 35.206 11.587 1.00 0.00 H new ATOM 853 N ALA A 54 -56.821 34.459 10.500 1.00 0.00 N ATOM 854 CA ALA A 54 -55.901 33.787 11.401 1.00 0.00 C ATOM 855 C ALA A 54 -56.399 33.942 12.840 1.00 0.00 C ATOM 856 O ALA A 54 -57.292 34.743 13.109 1.00 0.00 O ATOM 857 CB ALA A 54 -54.492 34.352 11.208 1.00 0.00 C ATOM 0 H ALA A 54 -57.076 35.406 10.779 1.00 0.00 H new ATOM 0 HA ALA A 54 -55.858 32.721 11.180 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -53.802 33.848 11.884 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -54.173 34.191 10.178 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -54.496 35.420 11.424 1.00 0.00 H new ATOM 863 N ASN A 55 -55.798 33.163 13.727 1.00 0.00 N ATOM 864 CA ASN A 55 -56.169 33.203 15.132 1.00 0.00 C ATOM 865 C ASN A 55 -54.904 33.157 15.990 1.00 0.00 C ATOM 866 O ASN A 55 -54.136 34.117 16.024 1.00 0.00 O ATOM 867 CB ASN A 55 -57.039 32.001 15.506 1.00 0.00 C ATOM 868 CG ASN A 55 -56.227 30.705 15.477 1.00 0.00 C ATOM 869 OD1 ASN A 55 -55.649 30.283 16.466 1.00 0.00 O ATOM 870 ND2 ASN A 55 -56.214 30.101 14.293 1.00 0.00 N ATOM 0 H ASN A 55 -55.057 32.500 13.500 1.00 0.00 H new ATOM 0 HA ASN A 55 -56.729 34.122 15.307 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -57.460 32.148 16.501 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -57.877 31.925 14.813 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -55.698 29.229 14.171 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -56.720 30.509 13.507 1.00 0.00 H new HETATM 877 N NH2 A 56 -54.725 32.029 16.664 1.00 0.00 N TER 878 NH2 A 56 HETATM 879 OP3 CG1 B 201 -41.181 -13.166 0.508 1.00 0.00 O HETATM 880 P CG1 B 201 -42.068 -12.442 -0.611 1.00 0.00 P HETATM 881 OP1 CG1 B 201 -43.297 -13.227 -0.856 1.00 0.00 O HETATM 882 OP2 CG1 B 201 -41.222 -12.115 -1.780 1.00 0.00 O HETATM 883 O5' CG1 B 201 -42.489 -11.070 0.095 1.00 0.00 O HETATM 884 C5' CG1 B 201 -43.373 -11.085 1.214 1.00 0.00 C HETATM 885 C4' CG1 B 201 -43.503 -9.694 1.792 1.00 0.00 C HETATM 886 O4' CG1 B 201 -44.813 -9.871 2.330 1.00 0.00 O HETATM 887 C3' CG1 B 201 -43.956 -8.636 0.792 1.00 0.00 C HETATM 888 O3' CG1 B 201 -42.942 -8.450 -0.194 1.00 0.00 O HETATM 889 C2' CG1 B 201 -45.221 -9.176 0.186 1.00 0.00 C HETATM 890 O2' CG1 B 201 -44.740 -10.094 -0.770 1.00 0.00 O HETATM 891 C1' CG1 B 201 -45.882 -9.795 1.415 1.00 0.00 C HETATM 892 N9 CG1 B 201 -46.992 -8.984 1.958 1.00 0.00 N HETATM 893 C8 CG1 B 201 -46.900 -7.873 2.720 1.00 0.00 C HETATM 894 N7 CG1 B 201 -48.089 -7.376 3.047 1.00 0.00 N HETATM 895 C5 CG1 B 201 -48.978 -8.231 2.451 1.00 0.00 C HETATM 896 C6 CG1 B 201 -50.388 -8.243 2.426 1.00 0.00 C HETATM 897 O6 CG1 B 201 -51.119 -7.423 2.979 1.00 0.00 O HETATM 898 N1 CG1 B 201 -50.994 -9.245 1.732 1.00 0.00 N HETATM 899 C2 CG1 B 201 -50.216 -10.162 1.113 1.00 0.00 C HETATM 900 N2 CG1 B 201 -50.952 -11.072 0.479 1.00 0.00 N HETATM 901 N3 CG1 B 201 -48.873 -10.247 1.071 1.00 0.00 N HETATM 902 C4 CG1 B 201 -48.330 -9.220 1.781 1.00 0.00 C HETATM 906 C CG1 B 201 -41.394 -14.543 0.806 1.00 0.00 C HETATM 0 HO2' CG1 B 201 -43.760 -10.094 -0.760 1.00 0.00 H new HETATM 0 HN2A CG1 B 201 -50.498 -11.828 -0.034 1.00 0.00 H new HETATM 0 H5'A CG1 B 201 -44.352 -11.453 0.909 1.00 0.00 H new HETATM 0 HN2 CG1 B 201 -51.970 -11.013 0.506 1.00 0.00 H new HETATM 0 HN1 CG1 B 201 -52.011 -9.303 1.680 1.00 0.00 H new HETATM 0 HB CG1 B 201 -42.419 -14.687 1.149 1.00 0.00 H new HETATM 0 HA CG1 B 201 -41.225 -15.140 -0.090 1.00 0.00 H new HETATM 0 H8 CG1 B 201 -45.954 -7.432 3.033 1.00 0.00 H new HETATM 0 H5' CG1 B 201 -42.998 -11.770 1.975 1.00 0.00 H new HETATM 0 H4' CG1 B 201 -42.594 -9.412 2.324 1.00 0.00 H new HETATM 0 H3' CG1 B 201 -44.131 -7.664 1.254 1.00 0.00 H new HETATM 0 H2' CG1 B 201 -45.930 -8.517 -0.315 1.00 0.00 H new HETATM 0 H1' CG1 B 201 -46.351 -10.753 1.190 1.00 0.00 H new HETATM 0 H CG1 B 201 -40.702 -14.857 1.587 1.00 0.00 H new ATOM 915 P G B 202 -42.604 -6.981 -0.730 1.00 0.00 P ATOM 916 OP1 G B 202 -41.155 -6.874 -1.012 1.00 0.00 O ATOM 917 OP2 G B 202 -43.199 -5.973 0.176 1.00 0.00 O ATOM 918 O5' G B 202 -43.386 -6.917 -2.124 1.00 0.00 O ATOM 919 C5' G B 202 -43.712 -8.121 -2.814 1.00 0.00 C ATOM 920 C4' G B 202 -45.180 -8.132 -3.177 1.00 0.00 C ATOM 921 O4' G B 202 -46.262 -8.459 -2.358 1.00 0.00 O ATOM 922 C3' G B 202 -45.721 -6.786 -3.653 1.00 0.00 C ATOM 923 O3' G B 202 -45.072 -6.419 -4.868 1.00 0.00 O ATOM 924 C2' G B 202 -47.195 -7.001 -3.859 1.00 0.00 C ATOM 925 O2' G B 202 -47.244 -7.625 -5.121 1.00 0.00 O ATOM 926 C1' G B 202 -47.519 -7.902 -2.670 1.00 0.00 C ATOM 927 N9 G B 202 -48.081 -7.172 -1.513 1.00 0.00 N ATOM 928 C8 G B 202 -47.416 -6.396 -0.633 1.00 0.00 C ATOM 929 N7 G B 202 -48.212 -5.878 0.297 1.00 0.00 N ATOM 930 C5 G B 202 -49.451 -6.363 -0.023 1.00 0.00 C ATOM 931 C6 G B 202 -50.713 -6.177 0.581 1.00 0.00 C ATOM 932 O6 G B 202 -50.931 -5.493 1.579 1.00 0.00 O ATOM 933 N1 G B 202 -51.777 -6.807 0.013 1.00 0.00 N ATOM 934 C2 G B 202 -51.568 -7.566 -1.086 1.00 0.00 C ATOM 935 N2 G B 202 -52.701 -8.112 -1.520 1.00 0.00 N ATOM 936 N3 G B 202 -50.417 -7.811 -1.741 1.00 0.00 N ATOM 937 C4 G B 202 -49.395 -7.155 -1.125 1.00 0.00 C ATOM 0 H5' G B 202 -43.478 -8.982 -2.188 1.00 0.00 H new ATOM 0 H5'' G B 202 -43.106 -8.208 -3.716 1.00 0.00 H new ATOM 0 H4' G B 202 -44.976 -8.974 -3.839 1.00 0.00 H new ATOM 0 H3' G B 202 -45.542 -5.980 -2.941 1.00 0.00 H new ATOM 0 H2' G B 202 -47.888 -6.160 -3.878 1.00 0.00 H new ATOM 0 HO2' G B 202 -47.989 -7.256 -5.640 1.00 0.00 H new ATOM 0 H1' G B 202 -48.289 -8.635 -2.909 1.00 0.00 H new ATOM 0 H8 G B 202 -46.352 -6.215 -0.679 1.00 0.00 H new ATOM 0 H1 G B 202 -52.712 -6.709 0.408 1.00 0.00 H new ATOM 0 H21 G B 202 -52.695 -8.712 -2.345 1.00 0.00 H new ATOM 0 H22 G B 202 -53.576 -7.930 -1.028 1.00 0.00 H new ATOM 949 P C B 203 -44.743 -4.881 -5.166 1.00 0.00 P ATOM 950 OP1 C B 203 -43.604 -4.788 -6.105 1.00 0.00 O ATOM 951 OP2 C B 203 -44.638 -4.138 -3.889 1.00 0.00 O ATOM 952 O5' C B 203 -46.055 -4.373 -5.927 1.00 0.00 O ATOM 953 C5' C B 203 -46.607 -5.146 -6.990 1.00 0.00 C ATOM 954 C4' C B 203 -48.113 -5.197 -6.867 1.00 0.00 C ATOM 955 O4' C B 203 -48.467 -5.417 -5.770 1.00 0.00 O ATOM 956 C3' C B 203 -48.817 -3.882 -7.188 1.00 0.00 C ATOM 957 O3' C B 203 -49.112 -3.829 -8.583 1.00 0.00 O ATOM 958 C2' C B 203 -50.071 -3.890 -6.358 1.00 0.00 C ATOM 959 O2' C B 203 -51.055 -4.280 -7.288 1.00 0.00 O ATOM 960 C1' C B 203 -49.709 -4.936 -5.308 1.00 0.00 C ATOM 961 N1 C B 203 -49.594 -4.385 -3.941 1.00 0.00 N ATOM 962 C2 C B 203 -50.720 -4.443 -3.122 1.00 0.00 C ATOM 963 O2 C B 203 -51.754 -4.947 -3.573 1.00 0.00 O ATOM 964 N3 C B 203 -50.639 -3.946 -1.874 1.00 0.00 N ATOM 965 C4 C B 203 -49.528 -3.411 -1.411 1.00 0.00 C ATOM 966 N4 C B 203 -49.468 -2.927 -0.177 1.00 0.00 N ATOM 967 C5 C B 203 -48.347 -3.339 -2.240 1.00 0.00 C ATOM 968 C6 C B 203 -48.443 -3.837 -3.481 1.00 0.00 C ATOM 0 H5' C B 203 -46.198 -6.156 -6.966 1.00 0.00 H new ATOM 0 H5'' C B 203 -46.327 -4.711 -7.950 1.00 0.00 H new ATOM 0 H4' C B 203 -48.371 -5.981 -7.579 1.00 0.00 H new ATOM 0 H3' C B 203 -48.207 -3.008 -6.961 1.00 0.00 H new ATOM 0 H2' C B 203 -50.423 -2.985 -5.863 1.00 0.00 H new ATOM 0 HO2' C B 203 -50.627 -4.520 -8.136 1.00 0.00 H new ATOM 0 H1' C B 203 -50.479 -5.701 -5.211 1.00 0.00 H new ATOM 0 H41 C B 203 -48.601 -2.516 0.168 1.00 0.00 H new ATOM 0 H42 C B 203 -50.289 -2.966 0.427 1.00 0.00 H new ATOM 0 H5 C B 203 -47.428 -2.904 -1.876 1.00 0.00 H new ATOM 0 H6 C B 203 -47.581 -3.801 -4.131 1.00 0.00 H new ATOM 980 P G B 204 -49.438 -2.426 -9.279 1.00 0.00 P ATOM 981 OP1 G B 204 -49.737 -2.639 -10.713 1.00 0.00 O ATOM 982 OP2 G B 204 -48.385 -1.445 -8.939 1.00 0.00 O ATOM 983 O5' G B 204 -50.790 -1.971 -8.555 1.00 0.00 O ATOM 984 C5' G B 204 -52.053 -2.335 -9.108 1.00 0.00 C ATOM 985 C4' G B 204 -53.132 -1.409 -8.595 1.00 0.00 C ATOM 986 O4' G B 204 -53.242 -1.492 -7.434 1.00 0.00 O ATOM 987 C3' G B 204 -52.859 0.073 -8.839 1.00 0.00 C ATOM 988 O3' G B 204 -53.508 0.484 -10.040 1.00 0.00 O ATOM 989 C2' G B 204 -53.419 0.783 -7.638 1.00 0.00 C ATOM 990 O2' G B 204 -54.677 1.224 -8.097 1.00 0.00 O ATOM 991 C1' G B 204 -53.454 -0.358 -6.624 1.00 0.00 C ATOM 992 N9 G B 204 -52.417 -0.248 -5.577 1.00 0.00 N ATOM 993 C8 G B 204 -51.107 -0.553 -5.686 1.00 0.00 C ATOM 994 N7 G B 204 -50.436 -0.342 -4.558 1.00 0.00 N ATOM 995 C5 G B 204 -51.388 0.124 -3.692 1.00 0.00 C ATOM 996 C6 G B 204 -51.307 0.527 -2.342 1.00 0.00 C ATOM 997 O6 G B 204 -50.284 0.527 -1.659 1.00 0.00 O ATOM 998 N1 G B 204 -52.454 0.951 -1.745 1.00 0.00 N ATOM 999 C2 G B 204 -53.593 0.961 -2.471 1.00 0.00 C ATOM 1000 N2 G B 204 -54.623 1.400 -1.749 1.00 0.00 N ATOM 1001 N3 G B 204 -53.786 0.603 -3.755 1.00 0.00 N ATOM 1002 C4 G B 204 -52.605 0.190 -4.292 1.00 0.00 C ATOM 0 H5' G B 204 -52.291 -3.365 -8.843 1.00 0.00 H new ATOM 0 H5'' G B 204 -52.009 -2.287 -10.196 1.00 0.00 H new ATOM 0 H4' G B 204 -54.019 -1.728 -9.143 1.00 0.00 H new ATOM 0 H3' G B 204 -51.799 0.294 -8.961 1.00 0.00 H new ATOM 0 H2' G B 204 -52.906 1.640 -7.203 1.00 0.00 H new ATOM 0 HO2' G B 204 -54.962 2.002 -7.574 1.00 0.00 H new ATOM 0 H1' G B 204 -54.386 -0.376 -6.059 1.00 0.00 H new ATOM 0 H8 G B 204 -50.653 -0.928 -6.591 1.00 0.00 H new ATOM 0 H1 G B 204 -52.454 1.254 -0.771 1.00 0.00 H new ATOM 0 H21 G B 204 -55.551 1.462 -2.169 1.00 0.00 H new ATOM 0 H22 G B 204 -54.484 1.674 -0.777 1.00 0.00 H new ATOM 1014 P A B 205 -52.813 1.563 -10.996 1.00 0.00 P ATOM 1015 OP1 A B 205 -53.499 1.582 -12.307 1.00 0.00 O ATOM 1016 OP2 A B 205 -51.347 1.359 -10.995 1.00 0.00 O ATOM 1017 O5' A B 205 -53.121 2.949 -10.257 1.00 0.00 O ATOM 1018 C5' A B 205 -54.465 3.308 -9.945 1.00 0.00 C ATOM 1019 C4' A B 205 -54.516 4.024 -8.615 1.00 0.00 C ATOM 1020 O4' A B 205 -54.002 3.468 -7.602 1.00 0.00 O ATOM 1021 C3' A B 205 -53.722 5.326 -8.569 1.00 0.00 C ATOM 1022 O3' A B 205 -54.423 6.336 -9.290 1.00 0.00 O ATOM 1023 C2' A B 205 -53.605 5.669 -7.110 1.00 0.00 C ATOM 1024 O2' A B 205 -54.678 6.562 -6.915 1.00 0.00 O ATOM 1025 C1' A B 205 -53.776 4.290 -6.480 1.00 0.00 C ATOM 1026 N9 A B 205 -52.593 3.839 -5.717 1.00 0.00 N ATOM 1027 C8 A B 205 -51.480 3.251 -6.202 1.00 0.00 C ATOM 1028 N7 A B 205 -50.595 2.965 -5.253 1.00 0.00 N ATOM 1029 C5 A B 205 -51.195 3.404 -4.102 1.00 0.00 C ATOM 1030 C6 A B 205 -50.764 3.385 -2.758 1.00 0.00 C ATOM 1031 N6 A B 205 -49.574 2.884 -2.339 1.00 0.00 N ATOM 1032 N1 A B 205 -51.606 3.906 -1.825 1.00 0.00 N ATOM 1033 C2 A B 205 -52.793 4.408 -2.233 1.00 0.00 C ATOM 1034 N3 A B 205 -53.302 4.477 -3.477 1.00 0.00 N ATOM 1035 C4 A B 205 -52.415 3.940 -4.362 1.00 0.00 C ATOM 0 H5' A B 205 -55.089 2.415 -9.910 1.00 0.00 H new ATOM 0 H5'' A B 205 -54.869 3.950 -10.728 1.00 0.00 H new ATOM 0 H4' A B 205 -55.602 4.092 -8.560 1.00 0.00 H new ATOM 0 H3' A B 205 -52.737 5.238 -9.027 1.00 0.00 H new ATOM 0 H2' A B 205 -52.706 6.140 -6.714 1.00 0.00 H new ATOM 0 HO2' A B 205 -55.276 6.529 -7.690 1.00 0.00 H new ATOM 0 H1' A B 205 -54.577 4.274 -5.741 1.00 0.00 H new ATOM 0 H8 A B 205 -51.325 3.036 -7.249 1.00 0.00 H new ATOM 0 H61 A B 205 -49.332 2.906 -1.348 1.00 0.00 H new ATOM 0 H62 A B 205 -48.922 2.486 -3.015 1.00 0.00 H new ATOM 0 H2 A B 205 -53.421 4.810 -1.451 1.00 0.00 H new ATOM 1047 P C B 206 -53.631 7.304 -10.288 1.00 0.00 P ATOM 1048 OP1 C B 206 -54.541 7.767 -11.360 1.00 0.00 O ATOM 1049 OP2 C B 206 -52.362 6.666 -10.698 1.00 0.00 O ATOM 1050 O5' C B 206 -53.276 8.561 -9.364 1.00 0.00 O ATOM 1051 C5' C B 206 -54.266 9.110 -8.495 1.00 0.00 C ATOM 1052 C4' C B 206 -53.713 9.239 -7.094 1.00 0.00 C ATOM 1053 O4' C B 206 -52.994 8.269 -6.945 1.00 0.00 O ATOM 1054 C3' C B 206 -52.705 10.370 -6.915 1.00 0.00 C ATOM 1055 O3' C B 206 -53.377 11.534 -6.436 1.00 0.00 O ATOM 1056 C2' C B 206 -51.707 9.858 -5.914 1.00 0.00 C ATOM 1057 O2' C B 206 -52.187 10.389 -4.699 1.00 0.00 O ATOM 1058 C1' C B 206 -51.880 8.352 -6.085 1.00 0.00 C ATOM 1059 N1 C B 206 -50.699 7.688 -6.676 1.00 0.00 N ATOM 1060 C2 C B 206 -49.768 7.125 -5.804 1.00 0.00 C ATOM 1061 O2 C B 206 -49.971 7.209 -4.588 1.00 0.00 O ATOM 1062 N3 C B 206 -48.685 6.514 -6.318 1.00 0.00 N ATOM 1063 C4 C B 206 -48.484 6.434 -7.618 1.00 0.00 C ATOM 1064 N4 C B 206 -47.410 5.826 -8.105 1.00 0.00 N ATOM 1065 C5 C B 206 -49.434 7.008 -8.543 1.00 0.00 C ATOM 1066 C6 C B 206 -50.508 7.613 -8.016 1.00 0.00 C ATOM 0 H5' C B 206 -55.150 8.472 -8.488 1.00 0.00 H new ATOM 0 H5'' C B 206 -54.581 10.087 -8.861 1.00 0.00 H new ATOM 0 H4' C B 206 -54.568 9.375 -6.431 1.00 0.00 H new ATOM 0 H3' C B 206 -52.212 10.650 -7.846 1.00 0.00 H new ATOM 0 H2' C B 206 -50.650 10.113 -5.993 1.00 0.00 H new ATOM 0 HO2' C B 206 -51.472 10.894 -4.258 1.00 0.00 H new ATOM 0 H1' C B 206 -52.010 7.842 -5.130 1.00 0.00 H new ATOM 0 H41 C B 206 -47.268 5.772 -9.114 1.00 0.00 H new ATOM 0 H42 C B 206 -46.726 5.413 -7.471 1.00 0.00 H new ATOM 0 H5 C B 206 -49.286 6.952 -9.611 1.00 0.00 H new ATOM 0 H6 C B 206 -51.241 8.052 -8.677 1.00 0.00 H new ATOM 1078 P U B 207 -53.247 12.916 -7.231 1.00 0.00 P ATOM 1079 OP1 U B 207 -54.510 13.680 -7.111 1.00 0.00 O ATOM 1080 OP2 U B 207 -52.731 12.661 -8.593 1.00 0.00 O ATOM 1081 O5' U B 207 -52.117 13.697 -6.411 1.00 0.00 O ATOM 1082 C5' U B 207 -52.274 13.915 -5.011 1.00 0.00 C ATOM 1083 C4' U B 207 -51.077 13.372 -4.263 1.00 0.00 C ATOM 1084 O4' U B 207 -50.573 12.335 -4.446 1.00 0.00 O ATOM 1085 C3' U B 207 -49.884 14.321 -4.208 1.00 0.00 C ATOM 1086 O3' U B 207 -50.175 15.397 -3.319 1.00 0.00 O ATOM 1087 C2' U B 207 -48.736 13.489 -3.709 1.00 0.00 C ATOM 1088 O2' U B 207 -48.657 13.852 -2.349 1.00 0.00 O ATOM 1089 C1' U B 207 -49.265 12.084 -3.983 1.00 0.00 C ATOM 1090 N1 U B 207 -48.474 11.342 -4.988 1.00 0.00 N ATOM 1091 C2 U B 207 -47.472 10.557 -4.508 1.00 0.00 C ATOM 1092 O2 U B 207 -47.208 10.447 -3.321 1.00 0.00 O ATOM 1093 N3 U B 207 -46.734 9.865 -5.443 1.00 0.00 N ATOM 1094 C4 U B 207 -46.964 9.934 -6.794 1.00 0.00 C ATOM 1095 O4 U B 207 -46.243 9.272 -7.537 1.00 0.00 O ATOM 1096 C5 U B 207 -48.023 10.768 -7.241 1.00 0.00 C ATOM 1097 C6 U B 207 -48.725 11.430 -6.318 1.00 0.00 C ATOM 0 H5' U B 207 -53.184 13.429 -4.659 1.00 0.00 H new ATOM 0 H5'' U B 207 -52.385 14.981 -4.811 1.00 0.00 H new ATOM 0 H4' U B 207 -51.689 13.237 -3.371 1.00 0.00 H new ATOM 0 H3' U B 207 -49.650 14.764 -5.176 1.00 0.00 H new ATOM 0 H2' U B 207 -47.739 13.593 -4.137 1.00 0.00 H new ATOM 0 HO2' U B 207 -48.156 13.169 -1.857 1.00 0.00 H new ATOM 0 H1' U B 207 -49.216 11.448 -3.099 1.00 0.00 H new ATOM 0 H3 U B 207 -45.975 9.269 -5.113 1.00 0.00 H new ATOM 0 H5 U B 207 -48.253 10.864 -8.292 1.00 0.00 H new ATOM 0 H6 U B 207 -49.533 12.067 -6.647 1.00 0.00 H new ATOM 1108 P G B 208 -49.702 16.883 -3.678 1.00 0.00 P ATOM 1109 OP1 G B 208 -50.189 17.825 -2.645 1.00 0.00 O ATOM 1110 OP2 G B 208 -50.036 17.185 -5.088 1.00 0.00 O ATOM 1111 O5' G B 208 -48.109 16.794 -3.555 1.00 0.00 O ATOM 1112 C5' G B 208 -47.331 16.365 -4.670 1.00 0.00 C ATOM 1113 C4' G B 208 -45.953 15.943 -4.211 1.00 0.00 C ATOM 1114 O4' G B 208 -45.737 14.895 -4.352 1.00 0.00 O ATOM 1115 C3' G B 208 -44.810 16.740 -4.834 1.00 0.00 C ATOM 1116 O3' G B 208 -44.204 17.557 -3.836 1.00 0.00 O ATOM 1117 C2' G B 208 -43.851 15.710 -5.361 1.00 0.00 C ATOM 1118 O2' G B 208 -42.710 15.909 -4.557 1.00 0.00 O ATOM 1119 C1' G B 208 -44.630 14.428 -5.089 1.00 0.00 C ATOM 1120 N9 G B 208 -45.063 13.728 -6.317 1.00 0.00 N ATOM 1121 C8 G B 208 -46.143 14.002 -7.079 1.00 0.00 C ATOM 1122 N7 G B 208 -46.255 13.186 -8.121 1.00 0.00 N ATOM 1123 C5 G B 208 -45.178 12.350 -8.002 1.00 0.00 C ATOM 1124 C6 G B 208 -44.740 11.270 -8.797 1.00 0.00 C ATOM 1125 O6 G B 208 -45.298 10.863 -9.816 1.00 0.00 O ATOM 1126 N1 G B 208 -43.607 10.624 -8.408 1.00 0.00 N ATOM 1127 C2 G B 208 -42.973 11.049 -7.292 1.00 0.00 C ATOM 1128 N2 G B 208 -41.889 10.319 -7.043 1.00 0.00 N ATOM 1129 N3 G B 208 -43.299 12.059 -6.464 1.00 0.00 N ATOM 1130 C4 G B 208 -44.437 12.663 -6.907 1.00 0.00 C ATOM 0 H5' G B 208 -47.249 17.172 -5.398 1.00 0.00 H new ATOM 0 H5'' G B 208 -47.827 15.533 -5.171 1.00 0.00 H new ATOM 0 H4' G B 208 -46.001 16.158 -3.144 1.00 0.00 H new ATOM 0 H3' G B 208 -45.141 17.407 -5.630 1.00 0.00 H new ATOM 0 H2' G B 208 -43.529 15.724 -6.402 1.00 0.00 H new ATOM 0 HO2' G B 208 -42.974 16.333 -3.714 1.00 0.00 H new ATOM 0 H1' G B 208 -44.025 13.683 -4.571 1.00 0.00 H new ATOM 0 H8 G B 208 -46.840 14.798 -6.865 1.00 0.00 H new ATOM 0 H1 G B 208 -43.244 9.837 -8.946 1.00 0.00 H new ATOM 0 H21 G B 208 -41.310 10.527 -6.229 1.00 0.00 H new ATOM 0 H22 G B 208 -41.637 9.552 -7.666 1.00 0.00 H new ATOM 1142 P G B 209 -43.916 19.103 -4.134 1.00 0.00 P ATOM 1143 OP1 G B 209 -44.314 19.425 -5.522 1.00 0.00 O ATOM 1144 OP2 G B 209 -42.534 19.441 -3.725 1.00 0.00 O ATOM 1145 O5' G B 209 -44.922 19.855 -3.143 1.00 0.00 O ATOM 1146 C5' G B 209 -44.520 20.150 -1.807 1.00 0.00 C ATOM 1147 C4' G B 209 -45.424 19.442 -0.824 1.00 0.00 C ATOM 1148 O4' G B 209 -46.155 19.406 0.373 1.00 0.00 O ATOM 1149 C3' G B 209 -46.018 18.135 -1.342 1.00 0.00 C ATOM 1150 O3' G B 209 -45.431 17.038 -0.646 1.00 0.00 O ATOM 1151 C2' G B 209 -47.494 18.236 -1.071 1.00 0.00 C ATOM 1152 O2' G B 209 -47.894 16.884 -1.034 1.00 0.00 O ATOM 1153 C1' G B 209 -47.487 18.955 0.275 1.00 0.00 C ATOM 1154 N9 G B 209 -48.440 20.083 0.346 1.00 0.00 N ATOM 1155 C8 G B 209 -48.244 21.348 -0.079 1.00 0.00 C ATOM 1156 N7 G B 209 -49.301 22.127 0.129 1.00 0.00 N ATOM 1157 C5 G B 209 -50.213 21.294 0.720 1.00 0.00 C ATOM 1158 C6 G B 209 -51.527 21.524 1.181 1.00 0.00 C ATOM 1159 O6 G B 209 -52.125 22.597 1.124 1.00 0.00 O ATOM 1160 N1 G B 209 -52.189 20.470 1.733 1.00 0.00 N ATOM 1161 C2 G B 209 -51.556 19.278 1.808 1.00 0.00 C ATOM 1162 N2 G B 209 -52.331 18.353 2.369 1.00 0.00 N ATOM 1163 N3 G B 209 -50.315 18.948 1.403 1.00 0.00 N ATOM 1164 C4 G B 209 -49.708 20.041 0.862 1.00 0.00 C ATOM 0 H5' G B 209 -44.557 21.226 -1.637 1.00 0.00 H new ATOM 0 H5'' G B 209 -43.487 19.838 -1.653 1.00 0.00 H new ATOM 0 H4' G B 209 -44.789 20.283 -0.546 1.00 0.00 H new ATOM 0 H3' G B 209 -45.828 17.973 -2.403 1.00 0.00 H new ATOM 0 H2' G B 209 -48.158 18.760 -1.759 1.00 0.00 H new ATOM 0 HO2' G B 209 -47.781 16.485 -1.922 1.00 0.00 H new ATOM 0 H1' G B 209 -47.802 18.303 1.090 1.00 0.00 H new ATOM 0 H8 G B 209 -47.328 21.691 -0.538 1.00 0.00 H new ATOM 0 H1 G B 209 -53.141 20.577 2.082 1.00 0.00 H new ATOM 0 H21 G B 209 -51.983 17.402 2.491 1.00 0.00 H new ATOM 0 H22 G B 209 -53.273 18.595 2.677 1.00 0.00 H new ATOM 1176 P U B 210 -43.861 16.760 -0.770 1.00 0.00 P ATOM 1177 OP1 U B 210 -43.110 18.001 -0.481 1.00 0.00 O ATOM 1178 OP2 U B 210 -43.577 16.072 -2.049 1.00 0.00 O ATOM 1179 O5' U B 210 -43.583 15.726 0.420 1.00 0.00 O ATOM 1180 C5' U B 210 -42.279 15.178 0.599 1.00 0.00 C ATOM 1181 C4' U B 210 -42.338 13.668 0.554 1.00 0.00 C ATOM 1182 O4' U B 210 -43.586 13.452 1.156 1.00 0.00 O ATOM 1183 C3' U B 210 -42.547 13.085 -0.841 1.00 0.00 C ATOM 1184 O3' U B 210 -42.037 11.755 -0.880 1.00 0.00 O ATOM 1185 C2' U B 210 -44.033 13.113 -1.065 1.00 0.00 C ATOM 1186 O2' U B 210 -44.223 12.090 -2.015 1.00 0.00 O ATOM 1187 C1' U B 210 -44.539 12.806 0.341 1.00 0.00 C ATOM 1188 N1 U B 210 -45.900 13.318 0.603 1.00 0.00 N ATOM 1189 C2 U B 210 -46.930 12.570 0.119 1.00 0.00 C ATOM 1190 O2 U B 210 -46.777 11.529 -0.500 1.00 0.00 O ATOM 1191 N3 U B 210 -48.198 13.045 0.363 1.00 0.00 N ATOM 1192 C4 U B 210 -48.457 14.204 1.050 1.00 0.00 C ATOM 1193 O4 U B 210 -49.632 14.532 1.207 1.00 0.00 O ATOM 1194 C5 U B 210 -47.347 14.947 1.532 1.00 0.00 C ATOM 1195 C6 U B 210 -46.125 14.468 1.285 1.00 0.00 C ATOM 0 H5' U B 210 -41.867 15.505 1.554 1.00 0.00 H new ATOM 0 H5'' U B 210 -41.611 15.547 -0.180 1.00 0.00 H new ATOM 0 H4' U B 210 -41.427 13.241 0.974 1.00 0.00 H new ATOM 0 H3' U B 210 -42.027 13.646 -1.618 1.00 0.00 H new ATOM 0 H2' U B 210 -44.527 14.009 -1.440 1.00 0.00 H new ATOM 0 HO2' U B 210 -43.450 11.488 -2.007 1.00 0.00 H new ATOM 0 H1' U B 210 -44.631 11.734 0.518 1.00 0.00 H new ATOM 0 H3 U B 210 -48.990 12.505 0.014 1.00 0.00 H new ATOM 0 H5 U B 210 -47.486 15.868 2.079 1.00 0.00 H new ATOM 0 H6 U B 210 -45.273 15.025 1.647 1.00 0.00 H new ATOM 1206 P G B 211 -40.710 11.430 -1.711 1.00 0.00 P ATOM 1207 OP1 G B 211 -39.888 12.654 -1.836 1.00 0.00 O ATOM 1208 OP2 G B 211 -41.065 10.717 -2.959 1.00 0.00 O ATOM 1209 O5' G B 211 -39.930 10.406 -0.761 1.00 0.00 O ATOM 1210 C5' G B 211 -40.481 10.047 0.505 1.00 0.00 C ATOM 1211 C4' G B 211 -39.377 9.647 1.458 1.00 0.00 C ATOM 1212 O4' G B 211 -39.468 10.274 2.328 1.00 0.00 O ATOM 1213 C3' G B 211 -39.441 8.195 1.921 1.00 0.00 C ATOM 1214 O3' G B 211 -38.251 7.517 1.522 1.00 0.00 O ATOM 1215 C2' G B 211 -39.562 8.263 3.419 1.00 0.00 C ATOM 1216 O2' G B 211 -38.351 7.684 3.854 1.00 0.00 O ATOM 1217 C1' G B 211 -39.681 9.769 3.627 1.00 0.00 C ATOM 1218 N9 G B 211 -40.996 10.189 4.155 1.00 0.00 N ATOM 1219 C8 G B 211 -42.137 10.376 3.459 1.00 0.00 C ATOM 1220 N7 G B 211 -43.151 10.755 4.229 1.00 0.00 N ATOM 1221 C5 G B 211 -42.608 10.809 5.485 1.00 0.00 C ATOM 1222 C6 G B 211 -43.172 11.146 6.734 1.00 0.00 C ATOM 1223 O6 G B 211 -44.342 11.476 6.921 1.00 0.00 O ATOM 1224 N1 G B 211 -42.356 11.103 7.822 1.00 0.00 N ATOM 1225 C2 G B 211 -41.065 10.744 7.646 1.00 0.00 C ATOM 1226 N2 G B 211 -40.399 10.750 8.798 1.00 0.00 N ATOM 1227 N3 G B 211 -40.424 10.405 6.510 1.00 0.00 N ATOM 1228 C4 G B 211 -41.294 10.467 5.463 1.00 0.00 C ATOM 0 H5' G B 211 -41.184 9.223 0.384 1.00 0.00 H new ATOM 0 H5'' G B 211 -41.042 10.886 0.917 1.00 0.00 H new ATOM 0 H4' G B 211 -38.432 9.763 0.927 1.00 0.00 H new ATOM 0 H3' G B 211 -40.277 7.647 1.487 1.00 0.00 H new ATOM 0 H2' G B 211 -40.376 7.760 3.940 1.00 0.00 H new ATOM 0 HO2' G B 211 -37.672 8.383 3.957 1.00 0.00 H new ATOM 0 H1' G B 211 -38.977 10.137 4.373 1.00 0.00 H new ATOM 0 H8 G B 211 -42.217 10.233 2.392 1.00 0.00 H new ATOM 0 H1 G B 211 -42.711 11.336 8.749 1.00 0.00 H new ATOM 0 H21 G B 211 -39.411 10.499 8.817 1.00 0.00 H new ATOM 0 H22 G B 211 -40.877 11.006 9.662 1.00 0.00 H new ATOM 1240 P A B 212 -36.826 8.217 1.721 1.00 0.00 P ATOM 1241 OP1 A B 212 -35.807 7.193 2.041 1.00 0.00 O ATOM 1242 OP2 A B 212 -36.958 9.362 2.649 1.00 0.00 O ATOM 1243 O5' A B 212 -36.504 8.796 0.264 1.00 0.00 O ATOM 1244 C5' A B 212 -36.468 7.920 -0.859 1.00 0.00 C ATOM 1245 C4' A B 212 -37.873 7.626 -1.336 1.00 0.00 C ATOM 1246 O4' A B 212 -38.521 8.053 -2.509 1.00 0.00 O ATOM 1247 C3' A B 212 -38.145 6.152 -1.625 1.00 0.00 C ATOM 1248 O3' A B 212 -37.890 5.384 -0.450 1.00 0.00 O ATOM 1249 C2' A B 212 -39.594 6.087 -2.022 1.00 0.00 C ATOM 1250 O2' A B 212 -40.230 5.718 -0.820 1.00 0.00 O ATOM 1251 C1' A B 212 -39.829 7.526 -2.474 1.00 0.00 C ATOM 1252 N9 A B 212 -40.483 7.630 -3.795 1.00 0.00 N ATOM 1253 C8 A B 212 -39.937 7.372 -5.002 1.00 0.00 C ATOM 1254 N7 A B 212 -40.791 7.562 -6.002 1.00 0.00 N ATOM 1255 C5 A B 212 -41.942 7.963 -5.380 1.00 0.00 C ATOM 1256 C6 A B 212 -43.208 8.316 -5.893 1.00 0.00 C ATOM 1257 N6 A B 212 -43.529 8.318 -7.213 1.00 0.00 N ATOM 1258 N1 A B 212 -44.167 8.679 -4.999 1.00 0.00 N ATOM 1259 C2 A B 212 -43.855 8.681 -3.683 1.00 0.00 C ATOM 1260 N3 A B 212 -42.692 8.365 -3.086 1.00 0.00 N ATOM 1261 C4 A B 212 -41.776 8.012 -4.032 1.00 0.00 C ATOM 0 H5' A B 212 -35.966 6.991 -0.589 1.00 0.00 H new ATOM 0 H5'' A B 212 -35.890 8.373 -1.664 1.00 0.00 H new ATOM 0 H4' A B 212 -38.225 8.194 -0.475 1.00 0.00 H new ATOM 0 H3' A B 212 -37.508 5.748 -2.412 1.00 0.00 H new ATOM 0 H2' A B 212 -39.933 5.402 -2.799 1.00 0.00 H new ATOM 0 HO2' A B 212 -41.081 5.276 -1.022 1.00 0.00 H new ATOM 0 H1' A B 212 -40.510 8.058 -1.810 1.00 0.00 H new ATOM 0 H8 A B 212 -38.917 7.046 -5.140 1.00 0.00 H new ATOM 0 H61 A B 212 -44.468 8.586 -7.509 1.00 0.00 H new ATOM 0 H62 A B 212 -42.831 8.052 -7.908 1.00 0.00 H new ATOM 0 H2 A B 212 -44.652 8.978 -3.018 1.00 0.00 H new ATOM 1273 P G B 213 -37.849 3.786 -0.533 1.00 0.00 P ATOM 1274 OP1 G B 213 -37.412 3.231 0.767 1.00 0.00 O ATOM 1275 OP2 G B 213 -37.102 3.369 -1.740 1.00 0.00 O ATOM 1276 O5' G B 213 -39.387 3.398 -0.745 1.00 0.00 O ATOM 1277 C5' G B 213 -40.172 2.965 0.364 1.00 0.00 C ATOM 1278 C4' G B 213 -41.626 3.311 0.138 1.00 0.00 C ATOM 1279 O4' G B 213 -42.067 4.042 -0.564 1.00 0.00 O ATOM 1280 C3' G B 213 -42.566 2.109 0.129 1.00 0.00 C ATOM 1281 O3' G B 213 -42.742 1.635 1.463 1.00 0.00 O ATOM 1282 C2' G B 213 -43.857 2.618 -0.450 1.00 0.00 C ATOM 1283 O2' G B 213 -44.712 2.643 0.671 1.00 0.00 O ATOM 1284 C1' G B 213 -43.416 3.983 -0.970 1.00 0.00 C ATOM 1285 N9 G B 213 -43.539 4.123 -2.436 1.00 0.00 N ATOM 1286 C8 G B 213 -42.660 3.716 -3.375 1.00 0.00 C ATOM 1287 N7 G B 213 -43.066 3.991 -4.611 1.00 0.00 N ATOM 1288 C5 G B 213 -44.274 4.608 -4.430 1.00 0.00 C ATOM 1289 C6 G B 213 -45.201 5.138 -5.354 1.00 0.00 C ATOM 1290 O6 G B 213 -45.069 5.133 -6.577 1.00 0.00 O ATOM 1291 N1 G B 213 -46.334 5.700 -4.851 1.00 0.00 N ATOM 1292 C2 G B 213 -46.505 5.718 -3.510 1.00 0.00 C ATOM 1293 N2 G B 213 -47.657 6.299 -3.178 1.00 0.00 N ATOM 1294 N3 G B 213 -45.695 5.247 -2.545 1.00 0.00 N ATOM 1295 C4 G B 213 -44.583 4.700 -3.111 1.00 0.00 C ATOM 0 H5' G B 213 -39.815 3.438 1.279 1.00 0.00 H new ATOM 0 H5'' G B 213 -40.063 1.889 0.499 1.00 0.00 H new ATOM 0 H4' G B 213 -41.531 3.947 1.018 1.00 0.00 H new ATOM 0 H3' G B 213 -42.181 1.274 -0.456 1.00 0.00 H new ATOM 0 H2' G B 213 -44.369 2.075 -1.244 1.00 0.00 H new ATOM 0 HO2' G B 213 -45.128 1.763 0.785 1.00 0.00 H new ATOM 0 H1' G B 213 -44.038 4.790 -0.583 1.00 0.00 H new ATOM 0 H8 G B 213 -41.728 3.221 -3.148 1.00 0.00 H new ATOM 0 H1 G B 213 -47.038 6.099 -5.472 1.00 0.00 H new ATOM 0 H21 G B 213 -47.921 6.384 -2.196 1.00 0.00 H new ATOM 0 H22 G B 213 -48.275 6.659 -3.905 1.00 0.00 H new ATOM 1307 P U B 214 -42.317 0.140 1.843 1.00 0.00 P ATOM 1308 OP1 U B 214 -40.980 0.149 2.479 1.00 0.00 O ATOM 1309 OP2 U B 214 -42.511 -0.746 0.674 1.00 0.00 O ATOM 1310 O5' U B 214 -43.391 -0.267 2.957 1.00 0.00 O ATOM 1311 C5' U B 214 -44.134 0.744 3.634 1.00 0.00 C ATOM 1312 C4' U B 214 -45.583 0.700 3.205 1.00 0.00 C ATOM 1313 O4' U B 214 -45.987 1.127 2.277 1.00 0.00 O ATOM 1314 C3' U B 214 -46.259 -0.653 3.410 1.00 0.00 C ATOM 1315 O3' U B 214 -47.128 -0.583 4.538 1.00 0.00 O ATOM 1316 C2' U B 214 -47.024 -0.910 2.140 1.00 0.00 C ATOM 1317 O2' U B 214 -48.303 -1.263 2.614 1.00 0.00 O ATOM 1318 C1' U B 214 -46.928 0.456 1.468 1.00 0.00 C ATOM 1319 N1 U B 214 -46.474 0.392 0.063 1.00 0.00 N ATOM 1320 C2 U B 214 -47.299 0.951 -0.863 1.00 0.00 C ATOM 1321 O2 U B 214 -48.362 1.485 -0.589 1.00 0.00 O ATOM 1322 N3 U B 214 -46.879 0.892 -2.173 1.00 0.00 N ATOM 1323 C4 U B 214 -45.701 0.311 -2.567 1.00 0.00 C ATOM 1324 O4 U B 214 -45.426 0.316 -3.766 1.00 0.00 O ATOM 1325 C5 U B 214 -44.876 -0.258 -1.560 1.00 0.00 C ATOM 1326 C6 U B 214 -45.303 -0.190 -0.297 1.00 0.00 C ATOM 0 H5' U B 214 -43.712 1.725 3.415 1.00 0.00 H new ATOM 0 H5'' U B 214 -44.061 0.599 4.712 1.00 0.00 H new ATOM 0 H4' U B 214 -45.831 1.485 3.920 1.00 0.00 H new ATOM 0 H3' U B 214 -45.550 -1.457 3.607 1.00 0.00 H new ATOM 0 H2' U B 214 -46.706 -1.682 1.440 1.00 0.00 H new ATOM 0 HO2' U B 214 -48.340 -1.131 3.584 1.00 0.00 H new ATOM 0 H1' U B 214 -47.898 0.949 1.401 1.00 0.00 H new ATOM 0 H3 U B 214 -47.477 1.303 -2.890 1.00 0.00 H new ATOM 0 H5 U B 214 -43.936 -0.729 -1.808 1.00 0.00 H new ATOM 0 H6 U B 214 -44.685 -0.620 0.477 1.00 0.00 H new ATOM 1337 P A B 215 -46.608 -1.047 5.978 1.00 0.00 P ATOM 1338 OP1 A B 215 -45.200 -0.630 6.157 1.00 0.00 O ATOM 1339 OP2 A B 215 -46.929 -2.477 6.187 1.00 0.00 O ATOM 1340 O5' A B 215 -47.510 -0.186 6.981 1.00 0.00 O ATOM 1341 C5' A B 215 -48.928 -0.334 6.971 1.00 0.00 C ATOM 1342 C4' A B 215 -49.572 0.769 7.780 1.00 0.00 C ATOM 1343 O4' A B 215 -48.886 1.908 7.333 1.00 0.00 O ATOM 1344 C3' A B 215 -51.013 1.079 7.387 1.00 0.00 C ATOM 1345 O3' A B 215 -51.894 0.603 8.403 1.00 0.00 O ATOM 1346 C2' A B 215 -51.077 2.576 7.260 1.00 0.00 C ATOM 1347 O2' A B 215 -51.286 2.993 8.590 1.00 0.00 O ATOM 1348 C1' A B 215 -49.692 2.871 6.690 1.00 0.00 C ATOM 1349 N9 A B 215 -49.618 2.736 5.221 1.00 0.00 N ATOM 1350 C8 A B 215 -48.754 1.979 4.510 1.00 0.00 C ATOM 1351 N7 A B 215 -48.949 2.075 3.198 1.00 0.00 N ATOM 1352 C5 A B 215 -49.997 2.947 3.084 1.00 0.00 C ATOM 1353 C6 A B 215 -50.673 3.455 1.954 1.00 0.00 C ATOM 1354 N6 A B 215 -50.368 3.137 0.670 1.00 0.00 N ATOM 1355 N1 A B 215 -51.697 4.323 2.174 1.00 0.00 N ATOM 1356 C2 A B 215 -52.007 4.645 3.449 1.00 0.00 C ATOM 1357 N3 A B 215 -51.437 4.225 4.594 1.00 0.00 N ATOM 1358 C4 A B 215 -50.422 3.363 4.306 1.00 0.00 C ATOM 0 H5' A B 215 -49.203 -1.305 7.383 1.00 0.00 H new ATOM 0 H5'' A B 215 -49.297 -0.306 5.946 1.00 0.00 H new ATOM 0 H4' A B 215 -49.544 0.498 8.835 1.00 0.00 H new ATOM 0 H3' A B 215 -51.312 0.597 6.456 1.00 0.00 H new ATOM 0 H2' A B 215 -51.835 3.055 6.641 1.00 0.00 H new ATOM 0 HO2' A B 215 -51.740 2.282 9.088 1.00 0.00 H new ATOM 0 H1' A B 215 -49.387 3.903 6.866 1.00 0.00 H new ATOM 0 H8 A B 215 -47.988 1.363 4.958 1.00 0.00 H new ATOM 0 H61 A B 215 -50.902 3.545 -0.097 1.00 0.00 H new ATOM 0 H62 A B 215 -49.604 2.490 0.472 1.00 0.00 H new ATOM 0 H2 A B 215 -52.828 5.337 3.566 1.00 0.00 H new ATOM 1370 P C B 216 -53.111 -0.362 8.019 1.00 0.00 P ATOM 1371 OP1 C B 216 -54.083 -0.407 9.134 1.00 0.00 O ATOM 1372 OP2 C B 216 -52.586 -1.652 7.517 1.00 0.00 O ATOM 1373 O5' C B 216 -53.801 0.401 6.793 1.00 0.00 O ATOM 1374 C5' C B 216 -54.425 1.666 7.001 1.00 0.00 C ATOM 1375 C4' C B 216 -55.099 2.129 5.728 1.00 0.00 C ATOM 1376 O4' C B 216 -54.696 2.693 4.896 1.00 0.00 O ATOM 1377 C3' C B 216 -56.119 1.146 5.161 1.00 0.00 C ATOM 1378 O3' C B 216 -57.426 1.518 5.590 1.00 0.00 O ATOM 1379 C2' C B 216 -55.978 1.244 3.668 1.00 0.00 C ATOM 1380 O2' C B 216 -57.260 1.669 3.263 1.00 0.00 O ATOM 1381 C1' C B 216 -54.875 2.293 3.555 1.00 0.00 C ATOM 1382 N1 C B 216 -53.618 1.767 2.983 1.00 0.00 N ATOM 1383 C2 C B 216 -53.424 1.906 1.610 1.00 0.00 C ATOM 1384 O2 C B 216 -54.304 2.459 0.940 1.00 0.00 O ATOM 1385 N3 C B 216 -52.288 1.436 1.065 1.00 0.00 N ATOM 1386 C4 C B 216 -51.360 0.849 1.793 1.00 0.00 C ATOM 1387 N4 C B 216 -50.245 0.390 1.237 1.00 0.00 N ATOM 1388 C5 C B 216 -51.536 0.692 3.218 1.00 0.00 C ATOM 1389 C6 C B 216 -52.674 1.167 3.747 1.00 0.00 C ATOM 0 H5' C B 216 -53.682 2.399 7.316 1.00 0.00 H new ATOM 0 H5'' C B 216 -55.159 1.591 7.804 1.00 0.00 H new ATOM 0 H4' C B 216 -55.398 2.990 6.326 1.00 0.00 H new ATOM 0 H3' C B 216 -55.956 0.123 5.499 1.00 0.00 H new ATOM 0 H2' C B 216 -55.713 0.372 3.071 1.00 0.00 H new ATOM 0 HO2' C B 216 -57.688 2.160 3.995 1.00 0.00 H new ATOM 0 H1' C B 216 -55.146 3.102 2.876 1.00 0.00 H new ATOM 0 H41 C B 216 -49.536 -0.062 1.814 1.00 0.00 H new ATOM 0 H42 C B 216 -50.098 0.490 0.233 1.00 0.00 H new ATOM 0 H5 C B 216 -50.786 0.214 3.830 1.00 0.00 H new ATOM 0 H6 C B 216 -52.842 1.068 4.809 1.00 0.00 H new ATOM 1401 P G B 217 -58.583 0.416 5.682 1.00 0.00 P ATOM 1402 OP1 G B 217 -59.900 1.084 5.792 1.00 0.00 O ATOM 1403 OP2 G B 217 -58.236 -0.585 6.715 1.00 0.00 O ATOM 1404 O5' G B 217 -58.511 -0.301 4.254 1.00 0.00 O ATOM 1405 C5' G B 217 -59.543 -0.085 3.293 1.00 0.00 C ATOM 1406 C4' G B 217 -59.322 -0.968 2.087 1.00 0.00 C ATOM 1407 O4' G B 217 -58.576 -0.880 1.210 1.00 0.00 O ATOM 1408 C3' G B 217 -59.517 -2.458 2.350 1.00 0.00 C ATOM 1409 O3' G B 217 -60.912 -2.755 2.383 1.00 0.00 O ATOM 1410 C2' G B 217 -58.832 -3.157 1.210 1.00 0.00 C ATOM 1411 O2' G B 217 -59.911 -3.539 0.387 1.00 0.00 O ATOM 1412 C1' G B 217 -57.961 -2.026 0.666 1.00 0.00 C ATOM 1413 N9 G B 217 -56.546 -2.121 1.081 1.00 0.00 N ATOM 1414 C8 G B 217 -56.025 -1.828 2.291 1.00 0.00 C ATOM 1415 N7 G B 217 -54.711 -2.019 2.343 1.00 0.00 N ATOM 1416 C5 G B 217 -54.392 -2.460 1.087 1.00 0.00 C ATOM 1417 C6 G B 217 -53.159 -2.832 0.511 1.00 0.00 C ATOM 1418 O6 G B 217 -52.072 -2.824 1.088 1.00 0.00 O ATOM 1419 N1 G B 217 -53.171 -3.233 -0.789 1.00 0.00 N ATOM 1420 C2 G B 217 -54.350 -3.252 -1.448 1.00 0.00 C ATOM 1421 N2 G B 217 -54.196 -3.666 -2.704 1.00 0.00 N ATOM 1422 N3 G B 217 -55.577 -2.921 -1.002 1.00 0.00 N ATOM 1423 C4 G B 217 -55.497 -2.529 0.299 1.00 0.00 C ATOM 0 H5' G B 217 -59.555 0.962 2.990 1.00 0.00 H new ATOM 0 H5'' G B 217 -60.515 -0.299 3.737 1.00 0.00 H new ATOM 0 H4' G B 217 -60.084 -0.320 1.654 1.00 0.00 H new ATOM 0 H3' G B 217 -59.102 -2.777 3.306 1.00 0.00 H new ATOM 0 H2' G B 217 -58.217 -4.040 1.381 1.00 0.00 H new ATOM 0 HO2' G B 217 -60.744 -3.166 0.745 1.00 0.00 H new ATOM 0 H1' G B 217 -57.909 -2.035 -0.423 1.00 0.00 H new ATOM 0 H8 G B 217 -56.612 -1.476 3.126 1.00 0.00 H new ATOM 0 H1 G B 217 -52.308 -3.513 -1.256 1.00 0.00 H new ATOM 0 H21 G B 217 -55.005 -3.731 -3.322 1.00 0.00 H new ATOM 0 H22 G B 217 -53.269 -3.918 -3.048 1.00 0.00 H new ATOM 1435 P C B 218 -61.448 -3.979 3.262 1.00 0.00 P ATOM 1436 OP1 C B 218 -62.891 -4.183 3.005 1.00 0.00 O ATOM 1437 OP2 C B 218 -61.023 -3.808 4.669 1.00 0.00 O ATOM 1438 O5' C B 218 -60.657 -5.231 2.656 1.00 0.00 O ATOM 1439 C5' C B 218 -61.129 -5.867 1.470 1.00 0.00 C ATOM 1440 C4' C B 218 -59.981 -6.536 0.747 1.00 0.00 C ATOM 1441 O4' C B 218 -58.944 -6.083 0.270 1.00 0.00 O ATOM 1442 C3' C B 218 -59.529 -7.854 1.367 1.00 0.00 C ATOM 1443 O3' C B 218 -60.573 -8.818 1.245 1.00 0.00 O ATOM 1444 C2' C B 218 -58.309 -8.261 0.590 1.00 0.00 C ATOM 1445 O2' C B 218 -58.845 -9.088 -0.418 1.00 0.00 O ATOM 1446 C1' C B 218 -57.804 -6.899 0.121 1.00 0.00 C ATOM 1447 N1 C B 218 -56.670 -6.385 0.916 1.00 0.00 N ATOM 1448 C2 C B 218 -55.389 -6.524 0.386 1.00 0.00 C ATOM 1449 O2 C B 218 -55.262 -7.067 -0.717 1.00 0.00 O ATOM 1450 N3 C B 218 -54.341 -6.063 1.092 1.00 0.00 N ATOM 1451 C4 C B 218 -54.495 -5.486 2.267 1.00 0.00 C ATOM 1452 N4 C B 218 -53.449 -5.038 2.949 1.00 0.00 N ATOM 1453 C5 C B 218 -55.812 -5.330 2.840 1.00 0.00 C ATOM 1454 C6 C B 218 -56.847 -5.794 2.124 1.00 0.00 C ATOM 0 H5' C B 218 -61.601 -5.133 0.818 1.00 0.00 H new ATOM 0 H5'' C B 218 -61.890 -6.606 1.722 1.00 0.00 H new ATOM 0 H4' C B 218 -60.644 -6.444 -0.114 1.00 0.00 H new ATOM 0 H3' C B 218 -59.301 -7.767 2.429 1.00 0.00 H new ATOM 0 H2' C B 218 -57.495 -8.806 1.068 1.00 0.00 H new ATOM 0 HO2' C B 218 -58.574 -10.016 -0.258 1.00 0.00 H new ATOM 0 H1' C B 218 -57.407 -6.936 -0.894 1.00 0.00 H new ATOM 0 H41 C B 218 -53.585 -4.594 3.857 1.00 0.00 H new ATOM 0 H42 C B 218 -52.509 -5.138 2.565 1.00 0.00 H new ATOM 0 H5 C B 218 -55.957 -4.861 3.802 1.00 0.00 H new ATOM 0 H6 C B 218 -57.847 -5.694 2.520 1.00 0.00 H new ATOM 1466 P C B 219 -60.870 -9.831 2.448 1.00 0.00 P ATOM 1467 OP1 C B 219 -62.233 -10.391 2.303 1.00 0.00 O ATOM 1468 OP2 C B 219 -60.530 -9.190 3.737 1.00 0.00 O ATOM 1469 O5' C B 219 -59.822 -11.012 2.191 1.00 0.00 O ATOM 1470 C5' C B 219 -59.999 -11.896 1.086 1.00 0.00 C ATOM 1471 C4' C B 219 -58.666 -12.464 0.657 1.00 0.00 C ATOM 1472 O4' C B 219 -57.768 -11.410 0.579 1.00 0.00 O ATOM 1473 C3' C B 219 -57.907 -13.196 1.761 1.00 0.00 C ATOM 1474 O3' C B 219 -58.361 -14.557 1.828 1.00 0.00 O ATOM 1475 C2' C B 219 -56.458 -13.116 1.367 1.00 0.00 C ATOM 1476 O2' C B 219 -56.329 -14.176 0.447 1.00 0.00 O ATOM 1477 C1' C B 219 -56.404 -11.714 0.765 1.00 0.00 C ATOM 1478 N1 C B 219 -55.749 -10.721 1.643 1.00 0.00 N ATOM 1479 C2 C B 219 -54.422 -10.394 1.374 1.00 0.00 C ATOM 1480 O2 C B 219 -53.859 -10.945 0.421 1.00 0.00 O ATOM 1481 N3 C B 219 -53.805 -9.492 2.158 1.00 0.00 N ATOM 1482 C4 C B 219 -54.421 -8.914 3.168 1.00 0.00 C ATOM 1483 N4 C B 219 -53.795 -8.027 3.931 1.00 0.00 N ATOM 1484 C5 C B 219 -55.798 -9.235 3.470 1.00 0.00 C ATOM 1485 C6 C B 219 -56.399 -10.136 2.678 1.00 0.00 C ATOM 0 H5' C B 219 -60.461 -11.363 0.255 1.00 0.00 H new ATOM 0 H5'' C B 219 -60.676 -12.705 1.362 1.00 0.00 H new ATOM 0 H4' C B 219 -58.908 -13.068 -0.218 1.00 0.00 H new ATOM 0 H3' C B 219 -58.065 -12.760 2.747 1.00 0.00 H new ATOM 0 H2' C B 219 -55.667 -13.223 2.109 1.00 0.00 H new ATOM 0 HO2' C B 219 -57.093 -14.783 0.539 1.00 0.00 H new ATOM 0 HO3' C B 219 -57.874 -15.030 2.535 1.00 0.00 H new ATOM 0 H1' C B 219 -55.808 -11.681 -0.147 1.00 0.00 H new ATOM 0 H41 C B 219 -54.286 -7.588 4.710 1.00 0.00 H new ATOM 0 H42 C B 219 -52.823 -7.785 3.739 1.00 0.00 H new ATOM 0 H5 C B 219 -56.319 -8.771 4.295 1.00 0.00 H new ATOM 0 H6 C B 219 -57.428 -10.402 2.871 1.00 0.00 H new TER 1497 C B 219 HETATM 1498 ZN ZN A 128 -50.820 11.348 7.362 1.00 0.00 ZN HETATM 1499 ZN ZN A 149 -53.628 28.765 2.646 1.00 0.00 ZN