USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=26 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: A 26 LYS NZ :NH3+ 146:sc= -3.23! (180deg=-6.75!) USER MOD Set 1.2: B 211 G O2' : rot 88:sc= -1.05! USER MOD Set 1.3: B 212 A O2' : rot -142:sc= -0.206 USER MOD Set 2.1: B 207 U O2' : rot 3:sc= 0.726 USER MOD Set 2.2: B 209 G O2' : rot -72:sc= 0.795 USER MOD Set 3.1: A 27 ASN :FLIP amide:sc= -4.42! C(o=-8.1!,f=-4.9!) USER MOD Set 3.2: B 213 G O2' : rot -2:sc= -0.447 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0966 K(o=-0.097,f=-1.9!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc=-0.00637 X(o=-0.0064,f=-0.15) USER MOD Single : A 8 ASN :FLIP amide:sc= -0.613 F(o=-5!,f=-0.61) USER MOD Single : A 9 GLN : amide:sc= 0.466 K(o=0.47,f=-0.42) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.946! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -4.75! C(o=-4.7!,f=-4.9!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -3.74! C(o=-3.7!,f=-9.8!) USER MOD Single : A 46 MET CE :methyl 177:sc= -0.17 (180deg=-0.182) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0311 USER MOD Single : A 53 GLN : amide:sc= -0.0105 X(o=-0.01,f=-0.0054) USER MOD Single : A 55 ASN : amide:sc= -0.444 K(o=-0.44,f=-2.5!) USER MOD Single : B 201 CG1 O2' : rot -1:sc= -2.65! USER MOD Single : B 202 G O2' : rot -14:sc= -0.0878 USER MOD Single : B 203 C O2' : rot 21:sc= -0.839 USER MOD Single : B 204 G O2' : rot -156:sc= -2.03! USER MOD Single : B 205 A O2' : rot 19:sc= -1.51 USER MOD Single : B 206 C O2' : rot -114:sc= 0.954 USER MOD Single : B 208 G O2' : rot 2:sc= 0.648 USER MOD Single : B 210 U O2' : rot 19:sc= 0.448 USER MOD Single : B 214 U O2' : rot 26:sc= 1.24 USER MOD Single : B 215 A O2' : rot -25:sc= 0.599 USER MOD Single : B 216 C O2' : rot 25:sc= -0.5 USER MOD Single : B 217 G O2' : rot -149:sc= -0.463 USER MOD Single : B 218 C O2' : rot -111:sc= 1.01 USER MOD Single : B 219 C O2' : rot -14:sc= 0.485 USER MOD Single : B 219 C O3' : rot 180:sc= 0.338 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -30.960 11.852 7.159 1.00 0.00 N ATOM 2 CA MET A 1 -29.738 11.651 7.918 1.00 0.00 C ATOM 3 C MET A 1 -29.438 10.160 8.091 1.00 0.00 C ATOM 4 O MET A 1 -28.358 9.695 7.731 1.00 0.00 O ATOM 5 CB MET A 1 -29.877 12.306 9.294 1.00 0.00 C ATOM 6 CG MET A 1 -28.698 13.239 9.579 1.00 0.00 C ATOM 7 SD MET A 1 -29.232 14.940 9.495 1.00 0.00 S ATOM 8 CE MET A 1 -28.122 15.672 10.687 1.00 0.00 C ATOM 0 H1 MET A 1 -31.141 12.871 7.056 1.00 0.00 H new ATOM 0 H2 MET A 1 -30.859 11.421 6.218 1.00 0.00 H new ATOM 0 H3 MET A 1 -31.756 11.408 7.659 1.00 0.00 H new ATOM 0 HA MET A 1 -28.914 12.107 7.370 1.00 0.00 H new ATOM 0 HB2 MET A 1 -30.810 12.868 9.341 1.00 0.00 H new ATOM 0 HB3 MET A 1 -29.930 11.536 10.064 1.00 0.00 H new ATOM 0 HG2 MET A 1 -28.286 13.027 10.566 1.00 0.00 H new ATOM 0 HG3 MET A 1 -27.901 13.063 8.856 1.00 0.00 H new ATOM 0 HE1 MET A 1 -28.320 16.741 10.760 1.00 0.00 H new ATOM 0 HE2 MET A 1 -28.276 15.207 11.661 1.00 0.00 H new ATOM 0 HE3 MET A 1 -27.091 15.515 10.369 1.00 0.00 H new ATOM 18 N GLN A 2 -30.415 9.454 8.641 1.00 0.00 N ATOM 19 CA GLN A 2 -30.269 8.025 8.866 1.00 0.00 C ATOM 20 C GLN A 2 -31.479 7.274 8.307 1.00 0.00 C ATOM 21 O GLN A 2 -32.576 7.360 8.859 1.00 0.00 O ATOM 22 CB GLN A 2 -30.074 7.720 10.352 1.00 0.00 C ATOM 23 CG GLN A 2 -28.780 6.937 10.586 1.00 0.00 C ATOM 24 CD GLN A 2 -28.315 7.068 12.038 1.00 0.00 C ATOM 25 OE1 GLN A 2 -28.837 7.849 12.816 1.00 0.00 O ATOM 26 NE2 GLN A 2 -27.307 6.260 12.357 1.00 0.00 N ATOM 0 H GLN A 2 -31.310 9.844 8.937 1.00 0.00 H new ATOM 0 HA GLN A 2 -29.378 7.684 8.339 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -30.047 8.651 10.918 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -30.923 7.146 10.724 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -28.938 5.886 10.344 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -28.002 7.305 9.917 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -26.917 5.630 11.656 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -26.925 6.270 13.303 1.00 0.00 H new ATOM 35 N LYS A 3 -31.240 6.555 7.220 1.00 0.00 N ATOM 36 CA LYS A 3 -32.297 5.790 6.582 1.00 0.00 C ATOM 37 C LYS A 3 -32.874 4.788 7.584 1.00 0.00 C ATOM 38 O LYS A 3 -34.085 4.584 7.637 1.00 0.00 O ATOM 39 CB LYS A 3 -31.786 5.144 5.292 1.00 0.00 C ATOM 40 CG LYS A 3 -30.718 4.090 5.593 1.00 0.00 C ATOM 41 CD LYS A 3 -30.279 3.375 4.313 1.00 0.00 C ATOM 42 CE LYS A 3 -28.798 2.997 4.378 1.00 0.00 C ATOM 43 NZ LYS A 3 -28.109 3.386 3.126 1.00 0.00 N ATOM 0 H LYS A 3 -30.330 6.486 6.765 1.00 0.00 H new ATOM 0 HA LYS A 3 -33.114 6.447 6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -32.617 4.683 4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -31.372 5.910 4.637 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -29.856 4.564 6.063 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -31.110 3.363 6.304 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -30.881 2.478 4.168 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -30.456 4.020 3.452 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -28.327 3.491 5.228 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -28.697 1.923 4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -27.105 3.123 3.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -28.548 2.895 2.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -28.190 4.414 2.990 1.00 0.00 H new ATOM 57 N GLY A 4 -31.978 4.190 8.356 1.00 0.00 N ATOM 58 CA GLY A 4 -32.382 3.216 9.354 1.00 0.00 C ATOM 59 C GLY A 4 -33.361 3.830 10.356 1.00 0.00 C ATOM 60 O GLY A 4 -34.160 3.120 10.965 1.00 0.00 O ATOM 0 H GLY A 4 -30.974 4.362 8.310 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -32.847 2.360 8.864 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -31.503 2.844 9.880 1.00 0.00 H new ATOM 64 N ASN A 5 -33.269 5.144 10.496 1.00 0.00 N ATOM 65 CA ASN A 5 -34.137 5.863 11.413 1.00 0.00 C ATOM 66 C ASN A 5 -35.597 5.594 11.043 1.00 0.00 C ATOM 67 O ASN A 5 -36.455 5.497 11.919 1.00 0.00 O ATOM 68 CB ASN A 5 -33.898 7.372 11.328 1.00 0.00 C ATOM 69 CG ASN A 5 -34.180 8.047 12.672 1.00 0.00 C ATOM 70 OD1 ASN A 5 -34.949 7.567 13.488 1.00 0.00 O ATOM 71 ND2 ASN A 5 -33.516 9.185 12.855 1.00 0.00 N ATOM 0 H ASN A 5 -32.606 5.730 9.989 1.00 0.00 H new ATOM 0 HA ASN A 5 -33.918 5.519 12.424 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -32.868 7.565 11.029 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -34.539 7.803 10.559 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -33.636 9.712 13.720 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -32.887 9.531 12.130 1.00 0.00 H new ATOM 78 N PHE A 6 -35.834 5.480 9.744 1.00 0.00 N ATOM 79 CA PHE A 6 -37.176 5.223 9.247 1.00 0.00 C ATOM 80 C PHE A 6 -37.738 3.927 9.833 1.00 0.00 C ATOM 81 O PHE A 6 -38.953 3.753 9.913 1.00 0.00 O ATOM 82 CB PHE A 6 -37.071 5.080 7.729 1.00 0.00 C ATOM 83 CG PHE A 6 -38.407 4.806 7.035 1.00 0.00 C ATOM 84 CD1 PHE A 6 -39.044 3.620 7.233 1.00 0.00 C ATOM 85 CD2 PHE A 6 -38.957 5.746 6.222 1.00 0.00 C ATOM 86 CE1 PHE A 6 -40.284 3.366 6.590 1.00 0.00 C ATOM 87 CE2 PHE A 6 -40.197 5.492 5.579 1.00 0.00 C ATOM 88 CZ PHE A 6 -40.834 4.306 5.777 1.00 0.00 C ATOM 0 H PHE A 6 -35.120 5.561 9.020 1.00 0.00 H new ATOM 0 HA PHE A 6 -37.841 6.038 9.533 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -36.640 5.993 7.317 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -36.380 4.269 7.498 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -38.607 2.873 7.879 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -38.450 6.687 6.065 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -40.791 2.425 6.747 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -40.634 6.239 4.933 1.00 0.00 H new ATOM 0 HZ PHE A 6 -41.777 4.112 5.288 1.00 0.00 H new ATOM 98 N ARG A 7 -36.827 3.048 10.226 1.00 0.00 N ATOM 99 CA ARG A 7 -37.217 1.772 10.801 1.00 0.00 C ATOM 100 C ARG A 7 -38.014 1.992 12.089 1.00 0.00 C ATOM 101 O ARG A 7 -38.631 1.062 12.607 1.00 0.00 O ATOM 102 CB ARG A 7 -35.991 0.909 11.109 1.00 0.00 C ATOM 103 CG ARG A 7 -36.348 -0.578 11.082 1.00 0.00 C ATOM 104 CD ARG A 7 -35.466 -1.372 12.048 1.00 0.00 C ATOM 105 NE ARG A 7 -34.723 -2.419 11.313 1.00 0.00 N ATOM 106 CZ ARG A 7 -33.628 -2.186 10.576 1.00 0.00 C ATOM 107 NH1 ARG A 7 -33.143 -0.941 10.473 1.00 0.00 N ATOM 108 NH2 ARG A 7 -33.019 -3.198 9.944 1.00 0.00 N ATOM 0 H ARG A 7 -35.820 3.195 10.157 1.00 0.00 H new ATOM 0 HA ARG A 7 -37.837 1.254 10.070 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -35.206 1.112 10.380 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -35.592 1.173 12.088 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -37.396 -0.709 11.350 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -36.227 -0.966 10.071 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -34.767 -0.702 12.549 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -36.081 -1.828 12.824 1.00 0.00 H new ATOM 0 HE ARG A 7 -35.065 -3.378 11.371 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -33.607 -0.171 10.955 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -32.310 -0.763 9.912 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -33.389 -4.145 10.024 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -32.186 -3.021 9.383 1.00 0.00 H new ATOM 122 N ASN A 8 -37.974 3.227 12.568 1.00 0.00 N ATOM 123 CA ASN A 8 -38.685 3.579 13.785 1.00 0.00 C ATOM 124 C ASN A 8 -40.177 3.288 13.603 1.00 0.00 C ATOM 125 O ASN A 8 -40.923 3.219 14.578 1.00 0.00 O ATOM 126 CB ASN A 8 -38.530 5.068 14.101 1.00 0.00 C ATOM 127 CG ASN A 8 -39.233 5.929 13.049 1.00 0.00 C ATOM 128 OD1 ASN A 8 -40.553 5.994 13.197 1.00 0.00 O flip ATOM 129 ND2 ASN A 8 -38.617 6.495 12.162 1.00 0.00 N flip ATOM 0 H ASN A 8 -37.461 3.995 12.136 1.00 0.00 H new ATOM 0 HA ASN A 8 -38.267 2.990 14.602 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -38.946 5.279 15.086 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -37.472 5.327 14.140 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -37.603 6.403 12.106 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -39.116 7.061 11.476 1.00 0.00 H new ATOM 136 N GLN A 9 -40.566 3.124 12.347 1.00 0.00 N ATOM 137 CA GLN A 9 -41.954 2.842 12.025 1.00 0.00 C ATOM 138 C GLN A 9 -42.424 1.586 12.759 1.00 0.00 C ATOM 139 O GLN A 9 -43.590 1.485 13.141 1.00 0.00 O ATOM 140 CB GLN A 9 -42.148 2.699 10.513 1.00 0.00 C ATOM 141 CG GLN A 9 -43.419 3.416 10.053 1.00 0.00 C ATOM 142 CD GLN A 9 -44.229 2.537 9.098 1.00 0.00 C ATOM 143 OE1 GLN A 9 -43.694 1.769 8.316 1.00 0.00 O ATOM 144 NE2 GLN A 9 -45.545 2.691 9.206 1.00 0.00 N ATOM 0 H GLN A 9 -39.944 3.181 11.541 1.00 0.00 H new ATOM 0 HA GLN A 9 -42.562 3.683 12.358 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -41.284 3.112 9.991 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -42.206 1.643 10.248 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -44.028 3.676 10.919 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -43.155 4.350 9.557 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -45.927 3.352 9.882 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -46.172 2.148 8.613 1.00 0.00 H new ATOM 153 N ARG A 10 -41.494 0.658 12.935 1.00 0.00 N ATOM 154 CA ARG A 10 -41.800 -0.588 13.616 1.00 0.00 C ATOM 155 C ARG A 10 -42.359 -0.306 15.012 1.00 0.00 C ATOM 156 O ARG A 10 -43.000 -1.168 15.613 1.00 0.00 O ATOM 157 CB ARG A 10 -40.553 -1.466 13.742 1.00 0.00 C ATOM 158 CG ARG A 10 -40.743 -2.796 13.010 1.00 0.00 C ATOM 159 CD ARG A 10 -39.397 -3.378 12.571 1.00 0.00 C ATOM 160 NE ARG A 10 -39.142 -3.046 11.152 1.00 0.00 N ATOM 161 CZ ARG A 10 -39.588 -3.772 10.118 1.00 0.00 C ATOM 162 NH1 ARG A 10 -40.316 -4.876 10.340 1.00 0.00 N ATOM 163 NH2 ARG A 10 -39.308 -3.396 8.863 1.00 0.00 N ATOM 0 H ARG A 10 -40.529 0.745 12.618 1.00 0.00 H new ATOM 0 HA ARG A 10 -42.545 -1.117 13.022 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -39.691 -0.941 13.331 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -40.340 -1.653 14.795 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -41.254 -3.504 13.662 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -41.381 -2.648 12.139 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -38.598 -2.979 13.196 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -39.398 -4.460 12.706 1.00 0.00 H new ATOM 0 HE ARG A 10 -38.592 -2.212 10.948 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -40.530 -5.162 11.295 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -40.656 -5.429 9.554 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -38.755 -2.556 8.694 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -39.648 -3.950 8.077 1.00 0.00 H new ATOM 177 N LYS A 11 -42.098 0.903 15.487 1.00 0.00 N ATOM 178 CA LYS A 11 -42.568 1.309 16.801 1.00 0.00 C ATOM 179 C LYS A 11 -43.271 2.663 16.689 1.00 0.00 C ATOM 180 O LYS A 11 -43.088 3.534 17.538 1.00 0.00 O ATOM 181 CB LYS A 11 -41.418 1.295 17.809 1.00 0.00 C ATOM 182 CG LYS A 11 -41.879 0.744 19.160 1.00 0.00 C ATOM 183 CD LYS A 11 -40.983 1.249 20.293 1.00 0.00 C ATOM 184 CE LYS A 11 -40.153 0.107 20.884 1.00 0.00 C ATOM 185 NZ LYS A 11 -40.674 -0.278 22.215 1.00 0.00 N ATOM 0 H LYS A 11 -41.567 1.615 14.985 1.00 0.00 H new ATOM 0 HA LYS A 11 -43.302 0.598 17.180 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -40.600 0.686 17.424 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -41.030 2.306 17.938 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -42.910 1.044 19.346 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -41.863 -0.346 19.137 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -40.320 2.029 19.918 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -41.596 1.700 21.073 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -40.178 -0.753 20.215 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -39.111 0.414 20.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -40.099 -1.054 22.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -40.627 0.540 22.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -41.662 -0.591 22.124 1.00 0.00 H new ATOM 199 N THR A 12 -44.064 2.797 15.636 1.00 0.00 N ATOM 200 CA THR A 12 -44.797 4.030 15.403 1.00 0.00 C ATOM 201 C THR A 12 -43.916 5.043 14.669 1.00 0.00 C ATOM 202 O THR A 12 -42.722 5.150 14.948 1.00 0.00 O ATOM 203 CB THR A 12 -45.312 4.537 16.752 1.00 0.00 C ATOM 204 OG1 THR A 12 -45.672 3.350 17.453 1.00 0.00 O ATOM 205 CG2 THR A 12 -46.626 5.308 16.625 1.00 0.00 C ATOM 0 H THR A 12 -44.215 2.072 14.935 1.00 0.00 H new ATOM 0 HA THR A 12 -45.656 3.863 14.754 1.00 0.00 H new ATOM 0 HB THR A 12 -44.559 5.178 17.211 1.00 0.00 H new ATOM 0 HG1 THR A 12 -46.015 3.585 18.340 1.00 0.00 H new ATOM 0 HG21 THR A 12 -46.947 5.645 17.611 1.00 0.00 H new ATOM 0 HG22 THR A 12 -46.480 6.171 15.976 1.00 0.00 H new ATOM 0 HG23 THR A 12 -47.389 4.658 16.198 1.00 0.00 H new ATOM 213 N VAL A 13 -44.538 5.762 13.746 1.00 0.00 N ATOM 214 CA VAL A 13 -43.825 6.763 12.971 1.00 0.00 C ATOM 215 C VAL A 13 -44.524 8.114 13.126 1.00 0.00 C ATOM 216 O VAL A 13 -45.630 8.188 13.660 1.00 0.00 O ATOM 217 CB VAL A 13 -43.712 6.312 11.513 1.00 0.00 C ATOM 218 CG1 VAL A 13 -45.093 6.058 10.908 1.00 0.00 C ATOM 219 CG2 VAL A 13 -42.929 7.333 10.683 1.00 0.00 C ATOM 0 H VAL A 13 -45.528 5.671 13.518 1.00 0.00 H new ATOM 0 HA VAL A 13 -42.807 6.880 13.341 1.00 0.00 H new ATOM 0 HB VAL A 13 -43.161 5.371 11.495 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -44.983 5.739 9.872 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -45.601 5.279 11.476 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -45.681 6.975 10.945 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -42.863 6.989 9.651 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -43.440 8.295 10.713 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -41.925 7.443 11.094 1.00 0.00 H new ATOM 229 N LYS A 14 -43.850 9.152 12.651 1.00 0.00 N ATOM 230 CA LYS A 14 -44.393 10.497 12.730 1.00 0.00 C ATOM 231 C LYS A 14 -44.624 11.033 11.316 1.00 0.00 C ATOM 232 O LYS A 14 -43.705 11.057 10.499 1.00 0.00 O ATOM 233 CB LYS A 14 -43.492 11.389 13.586 1.00 0.00 C ATOM 234 CG LYS A 14 -44.232 12.653 14.029 1.00 0.00 C ATOM 235 CD LYS A 14 -43.307 13.871 13.990 1.00 0.00 C ATOM 236 CE LYS A 14 -43.821 14.979 14.912 1.00 0.00 C ATOM 237 NZ LYS A 14 -43.607 16.307 14.296 1.00 0.00 N ATOM 0 H LYS A 14 -42.932 9.088 12.210 1.00 0.00 H new ATOM 0 HA LYS A 14 -45.361 10.488 13.230 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -43.153 10.836 14.462 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -42.602 11.664 13.019 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -45.091 12.823 13.379 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -44.619 12.517 15.039 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -42.301 13.578 14.292 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -43.236 14.246 12.969 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -44.882 14.831 15.111 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -43.306 14.930 15.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -43.961 17.047 14.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -42.591 16.452 14.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -44.118 16.357 13.392 1.00 0.00 H new ATOM 251 N CYS A 15 -45.857 11.452 11.070 1.00 0.00 N ATOM 252 CA CYS A 15 -46.220 11.986 9.768 1.00 0.00 C ATOM 253 C CYS A 15 -45.920 13.487 9.765 1.00 0.00 C ATOM 254 O CYS A 15 -46.538 14.248 10.506 1.00 0.00 O ATOM 255 CB CYS A 15 -47.683 11.696 9.426 1.00 0.00 C ATOM 256 SG CYS A 15 -48.012 12.118 7.675 1.00 0.00 S ATOM 0 H CYS A 15 -46.617 11.432 11.750 1.00 0.00 H new ATOM 0 HA CYS A 15 -45.630 11.496 8.993 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -47.905 10.644 9.603 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -48.339 12.274 10.077 1.00 0.00 H new ATOM 261 N PHE A 16 -44.972 13.865 8.921 1.00 0.00 N ATOM 262 CA PHE A 16 -44.582 15.261 8.810 1.00 0.00 C ATOM 263 C PHE A 16 -45.532 16.024 7.884 1.00 0.00 C ATOM 264 O PHE A 16 -45.229 17.137 7.458 1.00 0.00 O ATOM 265 CB PHE A 16 -43.175 15.286 8.210 1.00 0.00 C ATOM 266 CG PHE A 16 -43.151 15.416 6.686 1.00 0.00 C ATOM 267 CD1 PHE A 16 -43.202 14.301 5.908 1.00 0.00 C ATOM 268 CD2 PHE A 16 -43.076 16.644 6.109 1.00 0.00 C ATOM 269 CE1 PHE A 16 -43.179 14.421 4.494 1.00 0.00 C ATOM 270 CE2 PHE A 16 -43.054 16.764 4.694 1.00 0.00 C ATOM 271 CZ PHE A 16 -43.106 15.650 3.916 1.00 0.00 C ATOM 0 H PHE A 16 -44.462 13.229 8.307 1.00 0.00 H new ATOM 0 HA PHE A 16 -44.615 15.735 9.791 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -42.621 16.118 8.644 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -42.653 14.372 8.495 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -43.260 13.325 6.366 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -43.033 17.529 6.727 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -43.219 13.536 3.877 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -42.996 17.740 4.236 1.00 0.00 H new ATOM 0 HZ PHE A 16 -43.089 15.741 2.840 1.00 0.00 H new ATOM 281 N ASN A 17 -46.664 15.395 7.601 1.00 0.00 N ATOM 282 CA ASN A 17 -47.660 16.000 6.733 1.00 0.00 C ATOM 283 C ASN A 17 -48.920 16.305 7.546 1.00 0.00 C ATOM 284 O ASN A 17 -49.364 17.450 7.602 1.00 0.00 O ATOM 285 CB ASN A 17 -48.049 15.053 5.596 1.00 0.00 C ATOM 286 CG ASN A 17 -49.388 15.458 4.979 1.00 0.00 C ATOM 287 OD1 ASN A 17 -49.647 16.618 4.701 1.00 0.00 O ATOM 288 ND2 ASN A 17 -50.222 14.443 4.780 1.00 0.00 N ATOM 0 H ASN A 17 -46.913 14.472 7.958 1.00 0.00 H new ATOM 0 HA ASN A 17 -47.233 16.911 6.313 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -47.274 15.062 4.830 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -48.112 14.032 5.974 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -51.142 14.611 4.372 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -49.943 13.496 5.035 1.00 0.00 H new ATOM 295 N CYS A 18 -49.459 15.260 8.156 1.00 0.00 N ATOM 296 CA CYS A 18 -50.658 15.401 8.963 1.00 0.00 C ATOM 297 C CYS A 18 -50.236 15.618 10.418 1.00 0.00 C ATOM 298 O CYS A 18 -50.930 16.295 11.176 1.00 0.00 O ATOM 299 CB CYS A 18 -51.587 14.195 8.813 1.00 0.00 C ATOM 300 SG CYS A 18 -50.844 12.729 9.614 1.00 0.00 S ATOM 0 H CYS A 18 -49.087 14.312 8.107 1.00 0.00 H new ATOM 0 HA CYS A 18 -51.230 16.262 8.619 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -52.555 14.414 9.263 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -51.765 13.992 7.757 1.00 0.00 H new ATOM 305 N GLY A 19 -49.100 15.032 10.765 1.00 0.00 N ATOM 306 CA GLY A 19 -48.576 15.153 12.114 1.00 0.00 C ATOM 307 C GLY A 19 -48.813 13.869 12.911 1.00 0.00 C ATOM 308 O GLY A 19 -47.971 13.467 13.714 1.00 0.00 O ATOM 0 H GLY A 19 -48.527 14.471 10.134 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -47.508 15.369 12.075 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -49.053 15.992 12.620 1.00 0.00 H new ATOM 312 N LYS A 20 -49.962 13.258 12.661 1.00 0.00 N ATOM 313 CA LYS A 20 -50.320 12.026 13.344 1.00 0.00 C ATOM 314 C LYS A 20 -49.142 11.053 13.282 1.00 0.00 C ATOM 315 O LYS A 20 -48.127 11.340 12.648 1.00 0.00 O ATOM 316 CB LYS A 20 -51.621 11.456 12.776 1.00 0.00 C ATOM 317 CG LYS A 20 -52.657 11.245 13.881 1.00 0.00 C ATOM 318 CD LYS A 20 -53.595 10.086 13.540 1.00 0.00 C ATOM 319 CE LYS A 20 -54.933 10.602 13.008 1.00 0.00 C ATOM 320 NZ LYS A 20 -56.039 9.716 13.437 1.00 0.00 N ATOM 0 H LYS A 20 -50.658 13.593 11.995 1.00 0.00 H new ATOM 0 HA LYS A 20 -50.519 12.219 14.398 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -52.021 12.135 12.023 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -51.419 10.509 12.276 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -52.151 11.042 14.825 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -53.237 12.158 14.020 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -53.127 9.442 12.795 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -53.763 9.476 14.428 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -55.109 11.615 13.371 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -54.902 10.654 11.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -56.940 10.081 13.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -55.877 8.756 13.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -56.078 9.687 14.476 1.00 0.00 H new ATOM 334 N GLU A 21 -49.316 9.919 13.946 1.00 0.00 N ATOM 335 CA GLU A 21 -48.280 8.902 13.974 1.00 0.00 C ATOM 336 C GLU A 21 -48.839 7.562 13.492 1.00 0.00 C ATOM 337 O GLU A 21 -50.053 7.366 13.465 1.00 0.00 O ATOM 338 CB GLU A 21 -47.676 8.772 15.374 1.00 0.00 C ATOM 339 CG GLU A 21 -48.763 8.515 16.419 1.00 0.00 C ATOM 340 CD GLU A 21 -48.148 8.218 17.788 1.00 0.00 C ATOM 341 OE1 GLU A 21 -47.201 8.946 18.155 1.00 0.00 O ATOM 342 OE2 GLU A 21 -48.639 7.269 18.438 1.00 0.00 O ATOM 0 H GLU A 21 -50.160 9.683 14.469 1.00 0.00 H new ATOM 0 HA GLU A 21 -47.482 9.206 13.297 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -46.953 7.956 15.388 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -47.133 9.683 15.626 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -49.416 9.385 16.491 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -49.383 7.675 16.105 1.00 0.00 H new ATOM 349 N GLY A 22 -47.927 6.674 13.125 1.00 0.00 N ATOM 350 CA GLY A 22 -48.314 5.357 12.645 1.00 0.00 C ATOM 351 C GLY A 22 -47.924 5.172 11.177 1.00 0.00 C ATOM 352 O GLY A 22 -47.597 4.064 10.753 1.00 0.00 O ATOM 0 H GLY A 22 -46.921 6.840 13.150 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -47.834 4.589 13.252 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -49.390 5.226 12.758 1.00 0.00 H new ATOM 356 N HIS A 23 -47.971 6.273 10.442 1.00 0.00 N ATOM 357 CA HIS A 23 -47.626 6.246 9.030 1.00 0.00 C ATOM 358 C HIS A 23 -46.816 7.495 8.676 1.00 0.00 C ATOM 359 O HIS A 23 -46.513 8.311 9.546 1.00 0.00 O ATOM 360 CB HIS A 23 -48.879 6.088 8.168 1.00 0.00 C ATOM 361 CG HIS A 23 -49.775 7.303 8.155 1.00 0.00 C ATOM 362 ND1 HIS A 23 -50.909 7.408 8.942 1.00 0.00 N ATOM 363 CD2 HIS A 23 -49.690 8.465 7.446 1.00 0.00 C ATOM 364 CE1 HIS A 23 -51.474 8.582 8.707 1.00 0.00 C ATOM 365 NE2 HIS A 23 -50.718 9.237 7.780 1.00 0.00 N ATOM 0 H HIS A 23 -48.243 7.190 10.797 1.00 0.00 H new ATOM 0 HA HIS A 23 -47.000 5.378 8.821 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -48.577 5.861 7.145 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -49.450 5.233 8.529 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -51.251 6.701 9.593 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -48.918 8.715 6.734 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -52.376 8.956 9.169 1.00 0.00 H new ATOM 373 N ILE A 24 -46.488 7.604 7.397 1.00 0.00 N ATOM 374 CA ILE A 24 -45.720 8.741 6.916 1.00 0.00 C ATOM 375 C ILE A 24 -46.503 9.450 5.810 1.00 0.00 C ATOM 376 O ILE A 24 -47.379 8.854 5.186 1.00 0.00 O ATOM 377 CB ILE A 24 -44.318 8.297 6.490 1.00 0.00 C ATOM 378 CG1 ILE A 24 -44.389 7.133 5.499 1.00 0.00 C ATOM 379 CG2 ILE A 24 -43.455 7.961 7.707 1.00 0.00 C ATOM 380 CD1 ILE A 24 -42.991 6.722 5.035 1.00 0.00 C ATOM 0 H ILE A 24 -46.740 6.924 6.679 1.00 0.00 H new ATOM 0 HA ILE A 24 -45.572 9.467 7.716 1.00 0.00 H new ATOM 0 HB ILE A 24 -43.838 9.130 5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -44.886 6.283 5.966 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -44.992 7.420 4.638 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -42.465 7.649 7.376 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -43.364 8.842 8.343 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -43.920 7.153 8.271 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -43.070 5.893 4.332 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -42.507 7.567 4.546 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -42.398 6.412 5.896 1.00 0.00 H new ATOM 392 N ALA A 25 -46.159 10.713 5.602 1.00 0.00 N ATOM 393 CA ALA A 25 -46.820 11.510 4.582 1.00 0.00 C ATOM 394 C ALA A 25 -46.778 10.760 3.249 1.00 0.00 C ATOM 395 O ALA A 25 -47.724 10.826 2.466 1.00 0.00 O ATOM 396 CB ALA A 25 -46.155 12.885 4.500 1.00 0.00 C ATOM 0 H ALA A 25 -45.432 11.204 6.122 1.00 0.00 H new ATOM 0 HA ALA A 25 -47.868 11.669 4.837 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -46.650 13.484 3.735 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -46.238 13.387 5.464 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -45.103 12.765 4.242 1.00 0.00 H new ATOM 402 N LYS A 26 -45.671 10.065 3.032 1.00 0.00 N ATOM 403 CA LYS A 26 -45.494 9.303 1.807 1.00 0.00 C ATOM 404 C LYS A 26 -46.807 8.603 1.453 1.00 0.00 C ATOM 405 O LYS A 26 -47.108 8.398 0.278 1.00 0.00 O ATOM 406 CB LYS A 26 -44.304 8.351 1.936 1.00 0.00 C ATOM 407 CG LYS A 26 -44.713 6.915 1.605 1.00 0.00 C ATOM 408 CD LYS A 26 -43.586 5.934 1.936 1.00 0.00 C ATOM 409 CE LYS A 26 -42.218 6.549 1.637 1.00 0.00 C ATOM 410 NZ LYS A 26 -41.134 5.640 2.071 1.00 0.00 N ATOM 0 H LYS A 26 -44.888 10.013 3.683 1.00 0.00 H new ATOM 0 HA LYS A 26 -45.253 9.967 0.977 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -43.505 8.669 1.266 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -43.906 8.395 2.950 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -45.608 6.649 2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -44.967 6.840 0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -43.640 5.654 2.988 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -43.712 5.020 1.356 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -42.128 6.748 0.569 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -42.124 7.507 2.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -40.328 5.725 1.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -40.831 5.895 3.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -41.480 4.659 2.066 1.00 0.00 H new ATOM 424 N ASN A 27 -47.554 8.254 2.490 1.00 0.00 N ATOM 425 CA ASN A 27 -48.827 7.581 2.303 1.00 0.00 C ATOM 426 C ASN A 27 -49.782 7.983 3.428 1.00 0.00 C ATOM 427 O ASN A 27 -50.302 7.127 4.141 1.00 0.00 O ATOM 428 CB ASN A 27 -48.658 6.061 2.347 1.00 0.00 C ATOM 429 CG ASN A 27 -47.417 5.670 3.151 1.00 0.00 C ATOM 430 OD1 ASN A 27 -47.269 6.352 4.283 1.00 0.00 O flip ATOM 431 ND2 ASN A 27 -46.644 4.807 2.768 1.00 0.00 N flip ATOM 0 H ASN A 27 -47.301 8.425 3.463 1.00 0.00 H new ATOM 0 HA ASN A 27 -49.222 7.872 1.330 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -49.543 5.606 2.793 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -48.576 5.671 1.332 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -46.817 4.321 1.888 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -45.825 4.571 3.328 1.00 0.00 H new ATOM 438 N CYS A 28 -49.984 9.287 3.553 1.00 0.00 N ATOM 439 CA CYS A 28 -50.867 9.813 4.579 1.00 0.00 C ATOM 440 C CYS A 28 -52.308 9.471 4.195 1.00 0.00 C ATOM 441 O CYS A 28 -52.643 9.414 3.012 1.00 0.00 O ATOM 442 CB CYS A 28 -50.672 11.317 4.777 1.00 0.00 C ATOM 443 SG CYS A 28 -51.728 11.911 6.147 1.00 0.00 S ATOM 0 H CYS A 28 -49.551 9.995 2.960 1.00 0.00 H new ATOM 0 HA CYS A 28 -50.628 9.353 5.538 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -49.626 11.531 4.995 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -50.921 11.848 3.858 1.00 0.00 H new ATOM 448 N ARG A 29 -53.123 9.250 5.216 1.00 0.00 N ATOM 449 CA ARG A 29 -54.520 8.915 5.000 1.00 0.00 C ATOM 450 C ARG A 29 -55.420 10.058 5.475 1.00 0.00 C ATOM 451 O ARG A 29 -56.546 9.825 5.911 1.00 0.00 O ATOM 452 CB ARG A 29 -54.899 7.633 5.744 1.00 0.00 C ATOM 453 CG ARG A 29 -54.766 7.817 7.257 1.00 0.00 C ATOM 454 CD ARG A 29 -55.780 6.950 8.007 1.00 0.00 C ATOM 455 NE ARG A 29 -56.355 7.709 9.139 1.00 0.00 N ATOM 456 CZ ARG A 29 -57.408 8.532 9.035 1.00 0.00 C ATOM 457 NH1 ARG A 29 -58.006 8.707 7.848 1.00 0.00 N ATOM 458 NH2 ARG A 29 -57.861 9.180 10.116 1.00 0.00 N ATOM 0 H ARG A 29 -52.842 9.296 6.195 1.00 0.00 H new ATOM 0 HA ARG A 29 -54.662 8.757 3.931 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -55.923 7.354 5.497 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -54.258 6.815 5.416 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -53.756 7.555 7.571 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -54.918 8.865 7.514 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -56.573 6.635 7.329 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -55.296 6.045 8.374 1.00 0.00 H new ATOM 0 HE ARG A 29 -55.923 7.599 10.056 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -57.660 8.214 7.025 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -58.807 9.333 7.768 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -57.405 9.047 11.019 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -58.662 9.806 10.037 1.00 0.00 H new ATOM 472 N ALA A 30 -54.889 11.267 5.376 1.00 0.00 N ATOM 473 CA ALA A 30 -55.629 12.446 5.790 1.00 0.00 C ATOM 474 C ALA A 30 -57.081 12.322 5.322 1.00 0.00 C ATOM 475 O ALA A 30 -57.343 11.841 4.220 1.00 0.00 O ATOM 476 CB ALA A 30 -54.946 13.699 5.239 1.00 0.00 C ATOM 0 H ALA A 30 -53.954 11.456 5.015 1.00 0.00 H new ATOM 0 HA ALA A 30 -55.637 12.530 6.877 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -55.502 14.583 5.550 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -53.928 13.757 5.623 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -54.921 13.651 4.150 1.00 0.00 H new ATOM 482 N PRO A 31 -58.011 12.775 6.205 1.00 0.00 N ATOM 483 CA PRO A 31 -59.429 12.720 5.893 1.00 0.00 C ATOM 484 C PRO A 31 -59.811 13.802 4.882 1.00 0.00 C ATOM 485 O PRO A 31 -60.774 14.538 5.090 1.00 0.00 O ATOM 486 CB PRO A 31 -60.132 12.882 7.232 1.00 0.00 C ATOM 487 CG PRO A 31 -59.103 13.486 8.173 1.00 0.00 C ATOM 488 CD PRO A 31 -57.737 13.352 7.519 1.00 0.00 C ATOM 0 HA PRO A 31 -59.719 11.784 5.416 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -61.004 13.529 7.139 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -60.486 11.921 7.606 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -59.332 14.534 8.367 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -59.118 12.973 9.135 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -57.243 14.320 7.432 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -57.079 12.710 8.104 1.00 0.00 H new ATOM 496 N ARG A 32 -59.037 13.864 3.808 1.00 0.00 N ATOM 497 CA ARG A 32 -59.283 14.844 2.763 1.00 0.00 C ATOM 498 C ARG A 32 -58.525 14.463 1.491 1.00 0.00 C ATOM 499 O ARG A 32 -57.500 13.786 1.553 1.00 0.00 O ATOM 500 CB ARG A 32 -58.850 16.242 3.208 1.00 0.00 C ATOM 501 CG ARG A 32 -60.063 17.103 3.567 1.00 0.00 C ATOM 502 CD ARG A 32 -59.762 17.999 4.771 1.00 0.00 C ATOM 503 NE ARG A 32 -60.803 19.042 4.898 1.00 0.00 N ATOM 504 CZ ARG A 32 -62.067 18.802 5.273 1.00 0.00 C ATOM 505 NH1 ARG A 32 -62.453 17.551 5.561 1.00 0.00 N ATOM 506 NH2 ARG A 32 -62.944 19.811 5.360 1.00 0.00 N ATOM 0 H ARG A 32 -58.239 13.251 3.639 1.00 0.00 H new ATOM 0 HA ARG A 32 -60.354 14.855 2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -58.187 16.164 4.070 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -58.282 16.722 2.411 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -60.343 17.718 2.712 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -60.916 16.462 3.790 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -59.723 17.399 5.680 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -58.783 18.463 4.654 1.00 0.00 H new ATOM 0 HE ARG A 32 -60.542 20.005 4.687 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -61.785 16.783 5.495 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -63.415 17.367 5.847 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -62.650 20.763 5.141 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -63.906 19.627 5.645 1.00 0.00 H new ATOM 520 N LYS A 33 -59.059 14.915 0.365 1.00 0.00 N ATOM 521 CA LYS A 33 -58.446 14.630 -0.921 1.00 0.00 C ATOM 522 C LYS A 33 -57.390 15.695 -1.225 1.00 0.00 C ATOM 523 O LYS A 33 -56.194 15.414 -1.203 1.00 0.00 O ATOM 524 CB LYS A 33 -59.516 14.496 -2.007 1.00 0.00 C ATOM 525 CG LYS A 33 -58.899 14.040 -3.331 1.00 0.00 C ATOM 526 CD LYS A 33 -59.841 14.326 -4.501 1.00 0.00 C ATOM 527 CE LYS A 33 -59.818 13.181 -5.516 1.00 0.00 C ATOM 528 NZ LYS A 33 -59.648 13.708 -6.889 1.00 0.00 N ATOM 0 H LYS A 33 -59.909 15.476 0.317 1.00 0.00 H new ATOM 0 HA LYS A 33 -57.931 13.669 -0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -60.274 13.780 -1.689 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -60.019 15.453 -2.147 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -57.950 14.552 -3.490 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -58.682 12.973 -3.287 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -60.856 14.467 -4.129 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -59.548 15.256 -4.989 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -59.005 12.495 -5.280 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -60.745 12.611 -5.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -59.635 12.918 -7.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -60.438 14.345 -7.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -58.752 14.232 -6.951 1.00 0.00 H new ATOM 542 N LYS A 34 -57.873 16.899 -1.502 1.00 0.00 N ATOM 543 CA LYS A 34 -56.986 18.007 -1.811 1.00 0.00 C ATOM 544 C LYS A 34 -57.428 19.242 -1.022 1.00 0.00 C ATOM 545 O LYS A 34 -58.531 19.748 -1.220 1.00 0.00 O ATOM 546 CB LYS A 34 -56.919 18.235 -3.322 1.00 0.00 C ATOM 547 CG LYS A 34 -55.674 17.578 -3.921 1.00 0.00 C ATOM 548 CD LYS A 34 -55.726 17.596 -5.450 1.00 0.00 C ATOM 549 CE LYS A 34 -56.550 16.424 -5.985 1.00 0.00 C ATOM 550 NZ LYS A 34 -57.082 16.737 -7.331 1.00 0.00 N ATOM 0 H LYS A 34 -58.866 17.130 -1.519 1.00 0.00 H new ATOM 0 HA LYS A 34 -55.966 17.777 -1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -57.813 17.828 -3.795 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -56.907 19.305 -3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -54.782 18.101 -3.578 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -55.596 16.550 -3.568 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -56.160 18.536 -5.791 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -54.714 17.547 -5.852 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -55.931 15.528 -6.031 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -57.373 16.209 -5.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -57.639 15.931 -7.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -57.689 17.580 -7.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -56.292 16.920 -7.982 1.00 0.00 H new ATOM 564 N GLY A 35 -56.543 19.691 -0.143 1.00 0.00 N ATOM 565 CA GLY A 35 -56.828 20.856 0.677 1.00 0.00 C ATOM 566 C GLY A 35 -55.534 21.517 1.157 1.00 0.00 C ATOM 567 O GLY A 35 -54.480 20.883 1.181 1.00 0.00 O ATOM 0 H GLY A 35 -55.629 19.269 0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -57.417 21.573 0.105 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -57.431 20.562 1.536 1.00 0.00 H new ATOM 571 N CYS A 36 -55.657 22.783 1.527 1.00 0.00 N ATOM 572 CA CYS A 36 -54.510 23.537 2.005 1.00 0.00 C ATOM 573 C CYS A 36 -54.212 23.099 3.441 1.00 0.00 C ATOM 574 O CYS A 36 -54.944 23.447 4.366 1.00 0.00 O ATOM 575 CB CYS A 36 -54.745 25.047 1.907 1.00 0.00 C ATOM 576 SG CYS A 36 -53.221 25.948 2.368 1.00 0.00 S ATOM 0 H CYS A 36 -56.533 23.306 1.506 1.00 0.00 H new ATOM 0 HA CYS A 36 -53.646 23.328 1.375 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -55.041 25.312 0.892 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -55.563 25.340 2.565 1.00 0.00 H new ATOM 581 N TRP A 37 -53.134 22.341 3.581 1.00 0.00 N ATOM 582 CA TRP A 37 -52.730 21.851 4.888 1.00 0.00 C ATOM 583 C TRP A 37 -51.799 22.891 5.515 1.00 0.00 C ATOM 584 O TRP A 37 -51.119 22.607 6.501 1.00 0.00 O ATOM 585 CB TRP A 37 -52.091 20.465 4.781 1.00 0.00 C ATOM 586 CG TRP A 37 -50.616 20.426 5.184 1.00 0.00 C ATOM 587 CD1 TRP A 37 -50.055 19.751 6.195 1.00 0.00 C ATOM 588 CD2 TRP A 37 -49.529 21.124 4.538 1.00 0.00 C ATOM 589 NE1 TRP A 37 -48.692 19.960 6.250 1.00 0.00 N ATOM 590 CE2 TRP A 37 -48.363 20.822 5.210 1.00 0.00 C ATOM 591 CE3 TRP A 37 -49.533 21.981 3.424 1.00 0.00 C ATOM 592 CZ2 TRP A 37 -47.113 21.334 4.843 1.00 0.00 C ATOM 593 CZ3 TRP A 37 -48.276 22.485 3.070 1.00 0.00 C ATOM 594 CH2 TRP A 37 -47.092 22.191 3.735 1.00 0.00 C ATOM 0 H TRP A 37 -52.529 22.055 2.812 1.00 0.00 H new ATOM 0 HA TRP A 37 -53.597 21.722 5.536 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -52.647 19.770 5.410 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -52.186 20.111 3.754 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -50.601 19.121 6.882 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -48.046 19.557 6.928 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -50.434 22.231 2.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -46.213 21.082 5.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -48.223 23.149 2.220 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -46.160 22.621 3.399 1.00 0.00 H new ATOM 605 N LYS A 38 -51.798 24.074 4.919 1.00 0.00 N ATOM 606 CA LYS A 38 -50.962 25.157 5.407 1.00 0.00 C ATOM 607 C LYS A 38 -51.823 26.142 6.202 1.00 0.00 C ATOM 608 O LYS A 38 -51.370 26.701 7.200 1.00 0.00 O ATOM 609 CB LYS A 38 -50.196 25.805 4.252 1.00 0.00 C ATOM 610 CG LYS A 38 -49.537 27.113 4.695 1.00 0.00 C ATOM 611 CD LYS A 38 -48.279 26.840 5.521 1.00 0.00 C ATOM 612 CE LYS A 38 -48.244 27.717 6.774 1.00 0.00 C ATOM 613 NZ LYS A 38 -47.002 28.521 6.810 1.00 0.00 N ATOM 0 H LYS A 38 -52.363 24.306 4.102 1.00 0.00 H new ATOM 0 HA LYS A 38 -50.202 24.774 6.088 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -49.435 25.117 3.884 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -50.877 25.999 3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -49.279 27.709 3.820 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -50.243 27.699 5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -48.249 25.789 5.808 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -47.393 27.030 4.915 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -49.112 28.377 6.788 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -48.305 27.092 7.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -46.995 29.110 7.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -46.178 27.887 6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -46.959 29.132 5.969 1.00 0.00 H new ATOM 627 N CYS A 39 -53.047 26.321 5.731 1.00 0.00 N ATOM 628 CA CYS A 39 -53.975 27.228 6.386 1.00 0.00 C ATOM 629 C CYS A 39 -55.082 26.396 7.035 1.00 0.00 C ATOM 630 O CYS A 39 -55.476 26.659 8.170 1.00 0.00 O ATOM 631 CB CYS A 39 -54.538 28.264 5.410 1.00 0.00 C ATOM 632 SG CYS A 39 -55.455 27.425 4.067 1.00 0.00 S ATOM 0 H CYS A 39 -53.419 25.854 4.904 1.00 0.00 H new ATOM 0 HA CYS A 39 -53.451 27.796 7.154 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -55.198 28.952 5.938 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -53.727 28.859 4.991 1.00 0.00 H new ATOM 637 N GLY A 40 -55.553 25.408 6.287 1.00 0.00 N ATOM 638 CA GLY A 40 -56.607 24.536 6.777 1.00 0.00 C ATOM 639 C GLY A 40 -57.893 24.725 5.970 1.00 0.00 C ATOM 640 O GLY A 40 -58.990 24.524 6.488 1.00 0.00 O ATOM 0 H GLY A 40 -55.224 25.193 5.346 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -56.283 23.497 6.714 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -56.799 24.747 7.829 1.00 0.00 H new ATOM 644 N LYS A 41 -57.715 25.109 4.715 1.00 0.00 N ATOM 645 CA LYS A 41 -58.849 25.327 3.831 1.00 0.00 C ATOM 646 C LYS A 41 -58.765 24.356 2.651 1.00 0.00 C ATOM 647 O LYS A 41 -57.864 24.461 1.821 1.00 0.00 O ATOM 648 CB LYS A 41 -58.927 26.797 3.414 1.00 0.00 C ATOM 649 CG LYS A 41 -60.082 27.508 4.122 1.00 0.00 C ATOM 650 CD LYS A 41 -61.263 27.719 3.172 1.00 0.00 C ATOM 651 CE LYS A 41 -62.361 28.550 3.837 1.00 0.00 C ATOM 652 NZ LYS A 41 -63.411 27.668 4.395 1.00 0.00 N ATOM 0 H LYS A 41 -56.803 25.275 4.289 1.00 0.00 H new ATOM 0 HA LYS A 41 -59.784 25.117 4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -57.988 27.296 3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -59.060 26.866 2.334 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -60.403 26.920 4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -59.742 28.471 4.504 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -60.921 28.220 2.267 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -61.667 26.753 2.868 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -61.932 29.162 4.630 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -62.800 29.233 3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -64.149 28.248 4.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -63.832 27.102 3.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -62.991 27.034 5.104 1.00 0.00 H new ATOM 666 N GLU A 42 -59.715 23.435 2.617 1.00 0.00 N ATOM 667 CA GLU A 42 -59.760 22.445 1.553 1.00 0.00 C ATOM 668 C GLU A 42 -60.158 23.106 0.232 1.00 0.00 C ATOM 669 O GLU A 42 -60.797 24.156 0.226 1.00 0.00 O ATOM 670 CB GLU A 42 -60.715 21.304 1.906 1.00 0.00 C ATOM 671 CG GLU A 42 -62.163 21.796 1.956 1.00 0.00 C ATOM 672 CD GLU A 42 -63.144 20.627 1.850 1.00 0.00 C ATOM 673 OE1 GLU A 42 -62.809 19.670 1.119 1.00 0.00 O ATOM 674 OE2 GLU A 42 -64.206 20.716 2.504 1.00 0.00 O ATOM 0 H GLU A 42 -60.460 23.352 3.309 1.00 0.00 H new ATOM 0 HA GLU A 42 -58.764 22.017 1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -60.623 20.507 1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -60.438 20.879 2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -62.335 22.336 2.887 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -62.340 22.499 1.142 1.00 0.00 H new ATOM 681 N GLY A 43 -59.762 22.462 -0.857 1.00 0.00 N ATOM 682 CA GLY A 43 -60.070 22.974 -2.182 1.00 0.00 C ATOM 683 C GLY A 43 -58.808 23.487 -2.878 1.00 0.00 C ATOM 684 O GLY A 43 -58.711 23.449 -4.104 1.00 0.00 O ATOM 0 H GLY A 43 -59.231 21.591 -0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -60.527 22.187 -2.783 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -60.800 23.780 -2.104 1.00 0.00 H new ATOM 688 N HIS A 44 -57.872 23.955 -2.066 1.00 0.00 N ATOM 689 CA HIS A 44 -56.619 24.476 -2.588 1.00 0.00 C ATOM 690 C HIS A 44 -55.448 23.869 -1.813 1.00 0.00 C ATOM 691 O HIS A 44 -55.647 23.021 -0.944 1.00 0.00 O ATOM 692 CB HIS A 44 -56.616 26.006 -2.566 1.00 0.00 C ATOM 693 CG HIS A 44 -56.332 26.600 -1.208 1.00 0.00 C ATOM 694 ND1 HIS A 44 -57.281 26.657 -0.201 1.00 0.00 N ATOM 695 CD2 HIS A 44 -55.198 27.161 -0.700 1.00 0.00 C ATOM 696 CE1 HIS A 44 -56.731 27.229 0.860 1.00 0.00 C ATOM 697 NE2 HIS A 44 -55.440 27.542 0.549 1.00 0.00 N ATOM 0 H HIS A 44 -57.956 23.985 -1.050 1.00 0.00 H new ATOM 0 HA HIS A 44 -56.507 24.185 -3.633 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -55.869 26.368 -3.273 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -57.584 26.366 -2.913 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -58.240 26.316 -0.265 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -54.261 27.276 -1.225 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -57.219 27.415 1.805 1.00 0.00 H new ATOM 705 N GLN A 45 -54.252 24.327 -2.156 1.00 0.00 N ATOM 706 CA GLN A 45 -53.050 23.840 -1.503 1.00 0.00 C ATOM 707 C GLN A 45 -52.169 25.014 -1.069 1.00 0.00 C ATOM 708 O GLN A 45 -52.397 26.150 -1.481 1.00 0.00 O ATOM 709 CB GLN A 45 -52.279 22.885 -2.416 1.00 0.00 C ATOM 710 CG GLN A 45 -51.603 23.644 -3.559 1.00 0.00 C ATOM 711 CD GLN A 45 -50.122 23.274 -3.664 1.00 0.00 C ATOM 712 OE1 GLN A 45 -49.402 23.210 -2.682 1.00 0.00 O ATOM 713 NE2 GLN A 45 -49.711 23.035 -4.907 1.00 0.00 N ATOM 0 H GLN A 45 -54.091 25.030 -2.877 1.00 0.00 H new ATOM 0 HA GLN A 45 -53.344 23.283 -0.613 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -51.527 22.349 -1.836 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -52.959 22.137 -2.824 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -52.106 23.416 -4.499 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -51.703 24.717 -3.396 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -50.368 23.107 -5.684 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -48.739 22.780 -5.083 1.00 0.00 H new ATOM 722 N MET A 46 -51.181 24.698 -0.244 1.00 0.00 N ATOM 723 CA MET A 46 -50.266 25.712 0.249 1.00 0.00 C ATOM 724 C MET A 46 -49.650 26.504 -0.906 1.00 0.00 C ATOM 725 O MET A 46 -49.678 27.734 -0.905 1.00 0.00 O ATOM 726 CB MET A 46 -49.153 25.045 1.061 1.00 0.00 C ATOM 727 CG MET A 46 -48.069 26.055 1.441 1.00 0.00 C ATOM 728 SD MET A 46 -47.093 25.423 2.795 1.00 0.00 S ATOM 729 CE MET A 46 -45.751 24.676 1.887 1.00 0.00 C ATOM 0 H MET A 46 -50.995 23.754 0.095 1.00 0.00 H new ATOM 0 HA MET A 46 -50.825 26.402 0.880 1.00 0.00 H new ATOM 0 HB2 MET A 46 -49.573 24.601 1.963 1.00 0.00 H new ATOM 0 HB3 MET A 46 -48.712 24.234 0.482 1.00 0.00 H new ATOM 0 HG2 MET A 46 -47.428 26.254 0.582 1.00 0.00 H new ATOM 0 HG3 MET A 46 -48.527 27.003 1.723 1.00 0.00 H new ATOM 0 HE1 MET A 46 -45.016 24.277 2.586 1.00 0.00 H new ATOM 0 HE2 MET A 46 -46.137 23.868 1.266 1.00 0.00 H new ATOM 0 HE3 MET A 46 -45.278 25.426 1.253 1.00 0.00 H new ATOM 739 N LYS A 47 -49.107 25.767 -1.864 1.00 0.00 N ATOM 740 CA LYS A 47 -48.486 26.385 -3.022 1.00 0.00 C ATOM 741 C LYS A 47 -49.490 27.323 -3.695 1.00 0.00 C ATOM 742 O LYS A 47 -49.106 28.196 -4.472 1.00 0.00 O ATOM 743 CB LYS A 47 -47.919 25.317 -3.960 1.00 0.00 C ATOM 744 CG LYS A 47 -46.639 25.808 -4.641 1.00 0.00 C ATOM 745 CD LYS A 47 -45.647 24.660 -4.835 1.00 0.00 C ATOM 746 CE LYS A 47 -44.998 24.264 -3.508 1.00 0.00 C ATOM 747 NZ LYS A 47 -44.621 22.833 -3.521 1.00 0.00 N ATOM 0 H LYS A 47 -49.085 24.747 -1.861 1.00 0.00 H new ATOM 0 HA LYS A 47 -47.635 26.994 -2.717 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -47.710 24.408 -3.397 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -48.662 25.060 -4.716 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -46.883 26.250 -5.607 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -46.180 26.592 -4.039 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -46.161 23.799 -5.263 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -44.876 24.957 -5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -44.114 24.877 -3.332 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -45.689 24.457 -2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -44.182 22.581 -2.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -45.471 22.251 -3.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -43.945 22.659 -4.292 1.00 0.00 H new ATOM 761 N ASP A 48 -50.758 27.112 -3.371 1.00 0.00 N ATOM 762 CA ASP A 48 -51.820 27.928 -3.934 1.00 0.00 C ATOM 763 C ASP A 48 -52.650 28.530 -2.798 1.00 0.00 C ATOM 764 O ASP A 48 -53.872 28.628 -2.903 1.00 0.00 O ATOM 765 CB ASP A 48 -52.753 27.089 -4.809 1.00 0.00 C ATOM 766 CG ASP A 48 -52.078 26.394 -5.993 1.00 0.00 C ATOM 767 OD1 ASP A 48 -51.854 27.088 -7.008 1.00 0.00 O ATOM 768 OD2 ASP A 48 -51.801 25.183 -5.856 1.00 0.00 O ATOM 0 H ASP A 48 -51.073 26.388 -2.726 1.00 0.00 H new ATOM 0 HA ASP A 48 -51.361 28.708 -4.541 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -53.228 26.332 -4.185 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -53.546 27.733 -5.189 1.00 0.00 H new ATOM 773 N CYS A 49 -51.954 28.918 -1.740 1.00 0.00 N ATOM 774 CA CYS A 49 -52.612 29.509 -0.587 1.00 0.00 C ATOM 775 C CYS A 49 -52.839 30.994 -0.872 1.00 0.00 C ATOM 776 O CYS A 49 -52.059 31.619 -1.589 1.00 0.00 O ATOM 777 CB CYS A 49 -51.807 29.290 0.696 1.00 0.00 C ATOM 778 SG CYS A 49 -52.786 29.826 2.147 1.00 0.00 S ATOM 0 H CYS A 49 -50.941 28.835 -1.657 1.00 0.00 H new ATOM 0 HA CYS A 49 -53.573 29.021 -0.423 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -51.542 28.237 0.794 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -50.873 29.850 0.650 1.00 0.00 H new ATOM 783 N THR A 50 -53.912 31.518 -0.296 1.00 0.00 N ATOM 784 CA THR A 50 -54.252 32.918 -0.479 1.00 0.00 C ATOM 785 C THR A 50 -53.423 33.795 0.462 1.00 0.00 C ATOM 786 O THR A 50 -53.106 34.938 0.133 1.00 0.00 O ATOM 787 CB THR A 50 -55.761 33.069 -0.277 1.00 0.00 C ATOM 788 OG1 THR A 50 -55.984 32.592 1.048 1.00 0.00 O ATOM 789 CG2 THR A 50 -56.568 32.111 -1.157 1.00 0.00 C ATOM 0 H THR A 50 -54.557 30.997 0.298 1.00 0.00 H new ATOM 0 HA THR A 50 -54.009 33.255 -1.487 1.00 0.00 H new ATOM 0 HB THR A 50 -56.055 34.096 -0.493 1.00 0.00 H new ATOM 0 HG1 THR A 50 -56.938 32.656 1.262 1.00 0.00 H new ATOM 0 HG21 THR A 50 -57.632 32.259 -0.975 1.00 0.00 H new ATOM 0 HG22 THR A 50 -56.348 32.308 -2.206 1.00 0.00 H new ATOM 0 HG23 THR A 50 -56.299 31.082 -0.917 1.00 0.00 H new ATOM 797 N GLU A 51 -53.096 33.228 1.613 1.00 0.00 N ATOM 798 CA GLU A 51 -52.309 33.944 2.603 1.00 0.00 C ATOM 799 C GLU A 51 -50.858 34.075 2.135 1.00 0.00 C ATOM 800 O GLU A 51 -50.347 35.185 1.990 1.00 0.00 O ATOM 801 CB GLU A 51 -52.386 33.255 3.967 1.00 0.00 C ATOM 802 CG GLU A 51 -51.533 33.991 5.002 1.00 0.00 C ATOM 803 CD GLU A 51 -52.208 35.291 5.443 1.00 0.00 C ATOM 804 OE1 GLU A 51 -52.162 36.253 4.647 1.00 0.00 O ATOM 805 OE2 GLU A 51 -52.754 35.294 6.567 1.00 0.00 O ATOM 0 H GLU A 51 -53.361 32.281 1.883 1.00 0.00 H new ATOM 0 HA GLU A 51 -52.725 34.945 2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -53.422 33.220 4.303 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -52.045 32.223 3.877 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -51.371 33.349 5.868 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -50.552 34.211 4.580 1.00 0.00 H new ATOM 812 N ARG A 52 -50.236 32.927 1.913 1.00 0.00 N ATOM 813 CA ARG A 52 -48.854 32.900 1.465 1.00 0.00 C ATOM 814 C ARG A 52 -48.656 31.799 0.421 1.00 0.00 C ATOM 815 O ARG A 52 -48.633 30.616 0.757 1.00 0.00 O ATOM 816 CB ARG A 52 -47.899 32.660 2.636 1.00 0.00 C ATOM 817 CG ARG A 52 -46.806 33.729 2.679 1.00 0.00 C ATOM 818 CD ARG A 52 -45.458 33.120 3.073 1.00 0.00 C ATOM 819 NE ARG A 52 -44.408 34.163 3.062 1.00 0.00 N ATOM 820 CZ ARG A 52 -43.255 34.074 3.738 1.00 0.00 C ATOM 821 NH1 ARG A 52 -42.996 32.991 4.482 1.00 0.00 N ATOM 822 NH2 ARG A 52 -42.360 35.070 3.670 1.00 0.00 N ATOM 0 H ARG A 52 -50.663 32.009 2.035 1.00 0.00 H new ATOM 0 HA ARG A 52 -48.631 33.871 1.022 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -48.457 32.667 3.572 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -47.445 31.674 2.543 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -46.722 34.207 1.703 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -47.080 34.506 3.392 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -45.528 32.673 4.065 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -45.195 32.320 2.381 1.00 0.00 H new ATOM 0 HE ARG A 52 -44.573 35.002 2.505 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -43.677 32.233 4.534 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -42.118 32.924 4.997 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -42.557 35.895 3.104 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -41.482 35.003 4.185 1.00 0.00 H new ATOM 836 N GLN A 53 -48.518 32.227 -0.825 1.00 0.00 N ATOM 837 CA GLN A 53 -48.323 31.292 -1.921 1.00 0.00 C ATOM 838 C GLN A 53 -46.836 31.184 -2.268 1.00 0.00 C ATOM 839 O GLN A 53 -46.045 32.050 -1.898 1.00 0.00 O ATOM 840 CB GLN A 53 -49.143 31.702 -3.145 1.00 0.00 C ATOM 841 CG GLN A 53 -48.654 33.036 -3.711 1.00 0.00 C ATOM 842 CD GLN A 53 -49.720 34.123 -3.556 1.00 0.00 C ATOM 843 OE1 GLN A 53 -50.815 34.035 -4.087 1.00 0.00 O ATOM 844 NE2 GLN A 53 -49.341 35.149 -2.800 1.00 0.00 N ATOM 0 H GLN A 53 -48.537 33.209 -1.101 1.00 0.00 H new ATOM 0 HA GLN A 53 -48.674 30.311 -1.602 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -49.071 30.930 -3.911 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -50.195 31.783 -2.872 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -47.742 33.340 -3.197 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -48.402 32.917 -4.765 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -48.409 35.160 -2.385 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -49.982 35.925 -2.635 1.00 0.00 H new ATOM 853 N ALA A 54 -46.503 30.114 -2.975 1.00 0.00 N ATOM 854 CA ALA A 54 -45.125 29.882 -3.376 1.00 0.00 C ATOM 855 C ALA A 54 -45.089 29.497 -4.856 1.00 0.00 C ATOM 856 O ALA A 54 -46.110 29.125 -5.430 1.00 0.00 O ATOM 857 CB ALA A 54 -44.507 28.808 -2.479 1.00 0.00 C ATOM 0 H ALA A 54 -47.163 29.399 -3.280 1.00 0.00 H new ATOM 0 HA ALA A 54 -44.531 30.788 -3.256 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -43.474 28.634 -2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -44.532 29.142 -1.442 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -45.074 27.882 -2.576 1.00 0.00 H new ATOM 863 N ASN A 55 -43.900 29.600 -5.432 1.00 0.00 N ATOM 864 CA ASN A 55 -43.716 29.268 -6.834 1.00 0.00 C ATOM 865 C ASN A 55 -44.715 30.061 -7.677 1.00 0.00 C ATOM 866 O ASN A 55 -45.393 30.952 -7.167 1.00 0.00 O ATOM 867 CB ASN A 55 -43.964 27.778 -7.084 1.00 0.00 C ATOM 868 CG ASN A 55 -43.098 27.264 -8.237 1.00 0.00 C ATOM 869 OD1 ASN A 55 -42.256 27.965 -8.774 1.00 0.00 O ATOM 870 ND2 ASN A 55 -43.352 26.007 -8.585 1.00 0.00 N ATOM 0 H ASN A 55 -43.054 29.909 -4.953 1.00 0.00 H new ATOM 0 HA ASN A 55 -42.690 29.514 -7.107 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -43.744 27.212 -6.179 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -45.017 27.614 -7.314 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -42.828 25.572 -9.344 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -44.071 25.477 -8.093 1.00 0.00 H new HETATM 877 N NH2 A 56 -44.775 29.709 -8.953 1.00 0.00 N TER 878 NH2 A 56 HETATM 879 OP3 CG1 B 201 -42.049 -12.550 -2.323 1.00 0.00 O HETATM 880 P CG1 B 201 -43.541 -13.063 -2.590 1.00 0.00 P HETATM 881 OP1 CG1 B 201 -43.862 -14.167 -1.658 1.00 0.00 O HETATM 882 OP2 CG1 B 201 -43.731 -13.314 -4.037 1.00 0.00 O HETATM 883 O5' CG1 B 201 -44.435 -11.799 -2.186 1.00 0.00 O HETATM 884 C5' CG1 B 201 -45.085 -11.761 -0.918 1.00 0.00 C HETATM 885 C4' CG1 B 201 -44.929 -10.392 -0.295 1.00 0.00 C HETATM 886 O4' CG1 B 201 -46.130 -10.443 0.480 1.00 0.00 O HETATM 887 C3' CG1 B 201 -45.424 -9.242 -1.168 1.00 0.00 C HETATM 888 O3' CG1 B 201 -44.599 -9.138 -2.326 1.00 0.00 O HETATM 889 C2' CG1 B 201 -46.839 -9.597 -1.528 1.00 0.00 C HETATM 890 O2' CG1 B 201 -46.668 -10.532 -2.570 1.00 0.00 O HETATM 891 C1' CG1 B 201 -47.333 -10.174 -0.204 1.00 0.00 C HETATM 892 N9 CG1 B 201 -48.186 -9.242 0.562 1.00 0.00 N HETATM 893 C8 CG1 B 201 -47.788 -8.176 1.289 1.00 0.00 C HETATM 894 N7 CG1 B 201 -48.803 -7.537 1.862 1.00 0.00 N HETATM 895 C5 CG1 B 201 -49.904 -8.249 1.467 1.00 0.00 C HETATM 896 C6 CG1 B 201 -51.277 -8.077 1.741 1.00 0.00 C HETATM 897 O6 CG1 B 201 -51.758 -7.185 2.438 1.00 0.00 O HETATM 898 N1 CG1 B 201 -52.144 -8.970 1.190 1.00 0.00 N HETATM 899 C2 CG1 B 201 -51.643 -9.961 0.418 1.00 0.00 C HETATM 900 N2 CG1 B 201 -52.612 -10.749 -0.046 1.00 0.00 N HETATM 901 N3 CG1 B 201 -50.363 -10.220 0.092 1.00 0.00 N HETATM 902 C4 CG1 B 201 -49.550 -9.295 0.673 1.00 0.00 C HETATM 906 C CG1 B 201 -41.617 -11.303 -2.864 1.00 0.00 C HETATM 0 HO2' CG1 B 201 -45.712 -10.652 -2.748 1.00 0.00 H new HETATM 0 HN2A CG1 B 201 -52.382 -11.542 -0.645 1.00 0.00 H new HETATM 0 H5'A CG1 B 201 -46.143 -11.997 -1.036 1.00 0.00 H new HETATM 0 HN2 CG1 B 201 -53.584 -10.559 0.198 1.00 0.00 H new HETATM 0 HN1 CG1 B 201 -53.148 -8.894 1.355 1.00 0.00 H new HETATM 0 HB CG1 B 201 -41.695 -11.331 -3.951 1.00 0.00 H new HETATM 0 HA CG1 B 201 -42.245 -10.501 -2.476 1.00 0.00 H new HETATM 0 H8 CG1 B 201 -46.747 -7.872 1.395 1.00 0.00 H new HETATM 0 H5' CG1 B 201 -44.660 -12.519 -0.260 1.00 0.00 H new HETATM 0 H4' CG1 B 201 -43.910 -10.241 0.061 1.00 0.00 H new HETATM 0 H3' CG1 B 201 -45.383 -8.277 -0.663 1.00 0.00 H new HETATM 0 H2' CG1 B 201 -47.538 -8.836 -1.876 1.00 0.00 H new HETATM 0 H1' CG1 B 201 -47.972 -11.045 -0.349 1.00 0.00 H new HETATM 0 H CG1 B 201 -40.580 -11.123 -2.579 1.00 0.00 H new ATOM 915 P G B 202 -44.240 -7.699 -2.927 1.00 0.00 P ATOM 916 OP1 G B 202 -42.999 -7.788 -3.728 1.00 0.00 O ATOM 917 OP2 G B 202 -44.286 -6.685 -1.850 1.00 0.00 O ATOM 918 O5' G B 202 -45.455 -7.414 -3.927 1.00 0.00 O ATOM 919 C5' G B 202 -46.026 -8.483 -4.678 1.00 0.00 C ATOM 920 C4' G B 202 -47.533 -8.354 -4.704 1.00 0.00 C ATOM 921 O4' G B 202 -48.209 -8.442 -3.830 1.00 0.00 O ATOM 922 C3' G B 202 -48.051 -7.165 -5.508 1.00 0.00 C ATOM 923 O3' G B 202 -48.009 -7.480 -6.899 1.00 0.00 O ATOM 924 C2' G B 202 -49.460 -6.947 -5.034 1.00 0.00 C ATOM 925 O2' G B 202 -50.229 -7.396 -6.127 1.00 0.00 O ATOM 926 C1' G B 202 -49.486 -7.845 -3.800 1.00 0.00 C ATOM 927 N9 G B 202 -49.701 -7.105 -2.538 1.00 0.00 N ATOM 928 C8 G B 202 -48.771 -6.480 -1.786 1.00 0.00 C ATOM 929 N7 G B 202 -49.288 -5.906 -0.705 1.00 0.00 N ATOM 930 C5 G B 202 -50.625 -6.192 -0.788 1.00 0.00 C ATOM 931 C6 G B 202 -51.705 -5.862 0.057 1.00 0.00 C ATOM 932 O6 G B 202 -51.623 -5.209 1.097 1.00 0.00 O ATOM 933 N1 G B 202 -52.941 -6.303 -0.305 1.00 0.00 N ATOM 934 C2 G B 202 -53.061 -7.023 -1.442 1.00 0.00 C ATOM 935 N2 G B 202 -54.325 -7.379 -1.659 1.00 0.00 N ATOM 936 N3 G B 202 -52.107 -7.394 -2.318 1.00 0.00 N ATOM 937 C4 G B 202 -50.899 -6.923 -1.899 1.00 0.00 C ATOM 0 H5' G B 202 -45.743 -9.439 -4.237 1.00 0.00 H new ATOM 0 H5'' G B 202 -45.635 -8.472 -5.695 1.00 0.00 H new ATOM 0 H4' G B 202 -47.609 -9.344 -5.153 1.00 0.00 H new ATOM 0 H3' G B 202 -47.452 -6.265 -5.368 1.00 0.00 H new ATOM 0 H2' G B 202 -49.815 -5.952 -4.767 1.00 0.00 H new ATOM 0 HO2' G B 202 -49.654 -7.487 -6.916 1.00 0.00 H new ATOM 0 H1' G B 202 -50.314 -8.554 -3.825 1.00 0.00 H new ATOM 0 H8 G B 202 -47.721 -6.450 -2.036 1.00 0.00 H new ATOM 0 H1 G B 202 -53.758 -6.095 0.269 1.00 0.00 H new ATOM 0 H21 G B 202 -54.566 -7.928 -2.484 1.00 0.00 H new ATOM 0 H22 G B 202 -55.053 -7.102 -1.000 1.00 0.00 H new ATOM 949 P C B 203 -47.513 -6.383 -7.953 1.00 0.00 P ATOM 950 OP1 C B 203 -47.491 -6.970 -9.311 1.00 0.00 O ATOM 951 OP2 C B 203 -46.268 -5.749 -7.464 1.00 0.00 O ATOM 952 O5' C B 203 -48.678 -5.286 -7.907 1.00 0.00 O ATOM 953 C5' C B 203 -49.821 -5.425 -8.747 1.00 0.00 C ATOM 954 C4' C B 203 -51.074 -5.056 -7.985 1.00 0.00 C ATOM 955 O4' C B 203 -50.775 -5.005 -6.690 1.00 0.00 O ATOM 956 C3' C B 203 -51.474 -3.588 -8.103 1.00 0.00 C ATOM 957 O3' C B 203 -52.233 -3.398 -9.296 1.00 0.00 O ATOM 958 C2' C B 203 -52.294 -3.300 -6.875 1.00 0.00 C ATOM 959 O2' C B 203 -53.616 -3.424 -7.350 1.00 0.00 O ATOM 960 C1' C B 203 -51.822 -4.418 -5.951 1.00 0.00 C ATOM 961 N1 C B 203 -51.344 -3.935 -4.638 1.00 0.00 N ATOM 962 C2 C B 203 -52.282 -3.803 -3.615 1.00 0.00 C ATOM 963 O2 C B 203 -53.460 -4.094 -3.852 1.00 0.00 O ATOM 964 N3 C B 203 -51.871 -3.365 -2.412 1.00 0.00 N ATOM 965 C4 C B 203 -50.611 -3.060 -2.178 1.00 0.00 C ATOM 966 N4 C B 203 -50.225 -2.628 -0.983 1.00 0.00 N ATOM 967 C5 C B 203 -49.619 -3.188 -3.220 1.00 0.00 C ATOM 968 C6 C B 203 -50.044 -3.626 -4.414 1.00 0.00 C ATOM 0 H5' C B 203 -49.894 -6.451 -9.108 1.00 0.00 H new ATOM 0 H5'' C B 203 -49.718 -4.786 -9.624 1.00 0.00 H new ATOM 0 H4' C B 203 -51.816 -5.765 -8.353 1.00 0.00 H new ATOM 0 H3' C B 203 -50.617 -2.918 -8.163 1.00 0.00 H new ATOM 0 H2' C B 203 -52.216 -2.344 -6.358 1.00 0.00 H new ATOM 0 HO2' C B 203 -53.620 -3.963 -8.168 1.00 0.00 H new ATOM 0 H1' C B 203 -52.629 -5.104 -5.693 1.00 0.00 H new ATOM 0 H41 C B 203 -49.246 -2.396 -0.817 1.00 0.00 H new ATOM 0 H42 C B 203 -50.908 -2.529 -0.232 1.00 0.00 H new ATOM 0 H5 C B 203 -48.582 -2.942 -3.045 1.00 0.00 H new ATOM 0 H6 C B 203 -49.331 -3.735 -5.218 1.00 0.00 H new ATOM 980 P G B 204 -51.793 -2.282 -10.355 1.00 0.00 P ATOM 981 OP1 G B 204 -51.988 -2.795 -11.729 1.00 0.00 O ATOM 982 OP2 G B 204 -50.452 -1.763 -10.003 1.00 0.00 O ATOM 983 O5' G B 204 -52.857 -1.113 -10.106 1.00 0.00 O ATOM 984 C5' G B 204 -54.172 -1.429 -9.656 1.00 0.00 C ATOM 985 C4' G B 204 -54.616 -0.433 -8.609 1.00 0.00 C ATOM 986 O4' G B 204 -54.742 -0.497 -7.445 1.00 0.00 O ATOM 987 C3' G B 204 -54.181 1.004 -8.880 1.00 0.00 C ATOM 988 O3' G B 204 -54.841 1.486 -10.048 1.00 0.00 O ATOM 989 C2' G B 204 -54.586 1.779 -7.657 1.00 0.00 C ATOM 990 O2' G B 204 -55.806 2.364 -8.051 1.00 0.00 O ATOM 991 C1' G B 204 -54.699 0.654 -6.632 1.00 0.00 C ATOM 992 N9 G B 204 -53.563 0.599 -5.688 1.00 0.00 N ATOM 993 C8 G B 204 -52.323 0.124 -5.927 1.00 0.00 C ATOM 994 N7 G B 204 -51.527 0.216 -4.866 1.00 0.00 N ATOM 995 C5 G B 204 -52.320 0.785 -3.907 1.00 0.00 C ATOM 996 C6 G B 204 -52.059 1.139 -2.567 1.00 0.00 C ATOM 997 O6 G B 204 -50.985 0.986 -1.986 1.00 0.00 O ATOM 998 N1 G B 204 -53.077 1.698 -1.857 1.00 0.00 N ATOM 999 C2 G B 204 -54.268 1.879 -2.470 1.00 0.00 C ATOM 1000 N2 G B 204 -55.156 2.432 -1.648 1.00 0.00 N ATOM 1001 N3 G B 204 -54.626 1.580 -3.732 1.00 0.00 N ATOM 1002 C4 G B 204 -53.569 1.027 -4.387 1.00 0.00 C ATOM 0 H5' G B 204 -54.190 -2.437 -9.241 1.00 0.00 H new ATOM 0 H5'' G B 204 -54.865 -1.418 -10.497 1.00 0.00 H new ATOM 0 H4' G B 204 -55.571 -0.896 -8.857 1.00 0.00 H new ATOM 0 H3' G B 204 -53.110 1.097 -9.061 1.00 0.00 H new ATOM 0 H2' G B 204 -53.952 2.571 -7.258 1.00 0.00 H new ATOM 0 HO2' G B 204 -55.973 3.166 -7.514 1.00 0.00 H new ATOM 0 H1' G B 204 -55.565 0.778 -5.982 1.00 0.00 H new ATOM 0 H8 G B 204 -52.011 -0.286 -6.876 1.00 0.00 H new ATOM 0 H1 G B 204 -52.944 1.974 -0.884 1.00 0.00 H new ATOM 0 H21 G B 204 -56.102 2.628 -1.976 1.00 0.00 H new ATOM 0 H22 G B 204 -54.891 2.660 -0.690 1.00 0.00 H new ATOM 1014 P A B 205 -54.067 2.450 -11.064 1.00 0.00 P ATOM 1015 OP1 A B 205 -54.834 2.566 -12.324 1.00 0.00 O ATOM 1016 OP2 A B 205 -52.649 2.034 -11.163 1.00 0.00 O ATOM 1017 O5' A B 205 -54.115 3.868 -10.323 1.00 0.00 O ATOM 1018 C5' A B 205 -55.365 4.407 -9.896 1.00 0.00 C ATOM 1019 C4' A B 205 -55.214 5.058 -8.541 1.00 0.00 C ATOM 1020 O4' A B 205 -54.818 4.488 -7.534 1.00 0.00 O ATOM 1021 C3' A B 205 -54.311 6.288 -8.529 1.00 0.00 C ATOM 1022 O3' A B 205 -54.957 7.356 -9.220 1.00 0.00 O ATOM 1023 C2' A B 205 -54.106 6.617 -7.076 1.00 0.00 C ATOM 1024 O2' A B 205 -55.081 7.608 -6.842 1.00 0.00 O ATOM 1025 C1' A B 205 -54.384 5.260 -6.436 1.00 0.00 C ATOM 1026 N9 A B 205 -53.196 4.657 -5.796 1.00 0.00 N ATOM 1027 C8 A B 205 -52.201 3.970 -6.396 1.00 0.00 C ATOM 1028 N7 A B 205 -51.274 3.556 -5.538 1.00 0.00 N ATOM 1029 C5 A B 205 -51.720 4.013 -4.327 1.00 0.00 C ATOM 1030 C6 A B 205 -51.179 3.899 -3.029 1.00 0.00 C ATOM 1031 N6 A B 205 -50.019 3.257 -2.732 1.00 0.00 N ATOM 1032 N1 A B 205 -51.873 4.474 -2.009 1.00 0.00 N ATOM 1033 C2 A B 205 -53.028 5.114 -2.295 1.00 0.00 C ATOM 1034 N3 A B 205 -53.632 5.284 -3.486 1.00 0.00 N ATOM 1035 C4 A B 205 -52.891 4.687 -4.460 1.00 0.00 C ATOM 0 H5' A B 205 -56.113 3.616 -9.847 1.00 0.00 H new ATOM 0 H5'' A B 205 -55.722 5.138 -10.622 1.00 0.00 H new ATOM 0 H4' A B 205 -56.294 5.178 -8.454 1.00 0.00 H new ATOM 0 H3' A B 205 -53.356 6.118 -9.027 1.00 0.00 H new ATOM 0 H2' A B 205 -53.151 7.000 -6.716 1.00 0.00 H new ATOM 0 HO2' A B 205 -55.766 7.564 -7.541 1.00 0.00 H new ATOM 0 H1' A B 205 -55.106 5.330 -5.622 1.00 0.00 H new ATOM 0 H8 A B 205 -52.162 3.778 -7.458 1.00 0.00 H new ATOM 0 H61 A B 205 -49.691 3.216 -1.767 1.00 0.00 H new ATOM 0 H62 A B 205 -49.476 2.816 -3.474 1.00 0.00 H new ATOM 0 H2 A B 205 -53.538 5.551 -1.449 1.00 0.00 H new ATOM 1047 P C B 206 -54.119 8.280 -10.223 1.00 0.00 P ATOM 1048 OP1 C B 206 -55.027 8.869 -11.233 1.00 0.00 O ATOM 1049 OP2 C B 206 -52.938 7.538 -10.716 1.00 0.00 O ATOM 1050 O5' C B 206 -53.602 9.461 -9.276 1.00 0.00 O ATOM 1051 C5' C B 206 -54.501 10.095 -8.369 1.00 0.00 C ATOM 1052 C4' C B 206 -53.859 10.226 -7.006 1.00 0.00 C ATOM 1053 O4' C B 206 -53.236 9.137 -6.803 1.00 0.00 O ATOM 1054 C3' C B 206 -52.684 11.198 -6.954 1.00 0.00 C ATOM 1055 O3' C B 206 -53.156 12.494 -6.593 1.00 0.00 O ATOM 1056 C2' C B 206 -51.754 10.639 -5.913 1.00 0.00 C ATOM 1057 O2' C B 206 -52.206 11.258 -4.729 1.00 0.00 O ATOM 1058 C1' C B 206 -52.056 9.149 -6.031 1.00 0.00 C ATOM 1059 N1 C B 206 -50.980 8.379 -6.690 1.00 0.00 N ATOM 1060 C2 C B 206 -50.067 7.712 -5.873 1.00 0.00 C ATOM 1061 O2 C B 206 -50.200 7.795 -4.648 1.00 0.00 O ATOM 1062 N3 C B 206 -49.079 7.006 -6.450 1.00 0.00 N ATOM 1063 C4 C B 206 -48.952 6.928 -7.759 1.00 0.00 C ATOM 1064 N4 C B 206 -47.970 6.225 -8.308 1.00 0.00 N ATOM 1065 C5 C B 206 -49.884 7.609 -8.627 1.00 0.00 C ATOM 1066 C6 C B 206 -50.864 8.310 -8.038 1.00 0.00 C ATOM 0 H5' C B 206 -55.421 9.515 -8.292 1.00 0.00 H new ATOM 0 H5'' C B 206 -54.776 11.080 -8.746 1.00 0.00 H new ATOM 0 H4' C B 206 -54.660 10.520 -6.328 1.00 0.00 H new ATOM 0 H3' C B 206 -52.176 11.303 -7.913 1.00 0.00 H new ATOM 0 H2' C B 206 -50.677 10.797 -5.979 1.00 0.00 H new ATOM 0 HO2' C B 206 -51.511 11.859 -4.388 1.00 0.00 H new ATOM 0 H1' C B 206 -52.151 8.672 -5.055 1.00 0.00 H new ATOM 0 H41 C B 206 -47.885 6.174 -9.323 1.00 0.00 H new ATOM 0 H42 C B 206 -47.300 5.735 -7.715 1.00 0.00 H new ATOM 0 H5 C B 206 -49.796 7.556 -9.702 1.00 0.00 H new ATOM 0 H6 C B 206 -51.580 8.833 -8.655 1.00 0.00 H new ATOM 1078 P U B 207 -52.690 13.777 -7.429 1.00 0.00 P ATOM 1079 OP1 U B 207 -53.873 14.573 -7.822 1.00 0.00 O ATOM 1080 OP2 U B 207 -51.759 13.361 -8.503 1.00 0.00 O ATOM 1081 O5' U B 207 -51.859 14.623 -6.355 1.00 0.00 O ATOM 1082 C5' U B 207 -52.293 14.674 -4.997 1.00 0.00 C ATOM 1083 C4' U B 207 -51.179 14.230 -4.078 1.00 0.00 C ATOM 1084 O4' U B 207 -50.669 13.182 -4.457 1.00 0.00 O ATOM 1085 C3' U B 207 -49.950 15.136 -4.091 1.00 0.00 C ATOM 1086 O3' U B 207 -50.146 16.213 -3.177 1.00 0.00 O ATOM 1087 C2' U B 207 -48.804 14.257 -3.673 1.00 0.00 C ATOM 1088 O2' U B 207 -48.675 14.550 -2.300 1.00 0.00 O ATOM 1089 C1' U B 207 -49.370 12.878 -3.999 1.00 0.00 C ATOM 1090 N1 U B 207 -48.596 12.152 -5.028 1.00 0.00 N ATOM 1091 C2 U B 207 -47.603 11.341 -4.574 1.00 0.00 C ATOM 1092 O2 U B 207 -47.335 11.193 -3.392 1.00 0.00 O ATOM 1093 N3 U B 207 -46.881 10.663 -5.531 1.00 0.00 N ATOM 1094 C4 U B 207 -47.117 10.771 -6.879 1.00 0.00 C ATOM 1095 O4 U B 207 -46.409 10.118 -7.643 1.00 0.00 O ATOM 1096 C5 U B 207 -48.166 11.633 -7.297 1.00 0.00 C ATOM 1097 C6 U B 207 -48.852 12.280 -6.353 1.00 0.00 C ATOM 0 H5' U B 207 -53.164 14.033 -4.861 1.00 0.00 H new ATOM 0 H5'' U B 207 -52.601 15.688 -4.744 1.00 0.00 H new ATOM 0 H4' U B 207 -51.683 14.197 -3.112 1.00 0.00 H new ATOM 0 H3' U B 207 -49.760 15.581 -5.068 1.00 0.00 H new ATOM 0 H2' U B 207 -47.819 14.362 -4.129 1.00 0.00 H new ATOM 0 HO2' U B 207 -49.380 15.175 -2.031 1.00 0.00 H new ATOM 0 H1' U B 207 -49.342 12.209 -3.139 1.00 0.00 H new ATOM 0 H3 U B 207 -46.130 10.047 -5.221 1.00 0.00 H new ATOM 0 H5 U B 207 -48.400 11.760 -8.344 1.00 0.00 H new ATOM 0 H6 U B 207 -49.651 12.939 -6.660 1.00 0.00 H new ATOM 1108 P G B 208 -49.362 17.592 -3.386 1.00 0.00 P ATOM 1109 OP1 G B 208 -49.509 18.437 -2.180 1.00 0.00 O ATOM 1110 OP2 G B 208 -49.738 18.188 -4.687 1.00 0.00 O ATOM 1111 O5' G B 208 -47.834 17.126 -3.479 1.00 0.00 O ATOM 1112 C5' G B 208 -47.255 16.829 -4.748 1.00 0.00 C ATOM 1113 C4' G B 208 -45.939 16.108 -4.562 1.00 0.00 C ATOM 1114 O4' G B 208 -45.944 15.114 -4.983 1.00 0.00 O ATOM 1115 C3' G B 208 -44.730 16.846 -5.130 1.00 0.00 C ATOM 1116 O3' G B 208 -43.868 17.236 -4.062 1.00 0.00 O ATOM 1117 C2' G B 208 -44.060 15.864 -6.050 1.00 0.00 C ATOM 1118 O2' G B 208 -42.818 15.646 -5.419 1.00 0.00 O ATOM 1119 C1' G B 208 -45.042 14.698 -5.984 1.00 0.00 C ATOM 1120 N9 G B 208 -45.742 14.445 -7.262 1.00 0.00 N ATOM 1121 C8 G B 208 -46.820 15.093 -7.748 1.00 0.00 C ATOM 1122 N7 G B 208 -47.211 14.624 -8.928 1.00 0.00 N ATOM 1123 C5 G B 208 -46.320 13.619 -9.195 1.00 0.00 C ATOM 1124 C6 G B 208 -46.202 12.742 -10.293 1.00 0.00 C ATOM 1125 O6 G B 208 -46.939 12.727 -11.277 1.00 0.00 O ATOM 1126 N1 G B 208 -45.188 11.833 -10.262 1.00 0.00 N ATOM 1127 C2 G B 208 -44.361 11.824 -9.192 1.00 0.00 C ATOM 1128 N2 G B 208 -43.428 10.885 -9.311 1.00 0.00 N ATOM 1129 N3 G B 208 -44.381 12.609 -8.099 1.00 0.00 N ATOM 1130 C4 G B 208 -45.413 13.492 -8.190 1.00 0.00 C ATOM 0 H5' G B 208 -47.098 17.750 -5.309 1.00 0.00 H new ATOM 0 H5'' G B 208 -47.937 16.212 -5.332 1.00 0.00 H new ATOM 0 H4' G B 208 -45.838 16.059 -3.478 1.00 0.00 H new ATOM 0 H3' G B 208 -45.001 17.756 -5.666 1.00 0.00 H new ATOM 0 H2' G B 208 -43.863 16.115 -7.092 1.00 0.00 H new ATOM 0 HO2' G B 208 -42.780 16.159 -4.585 1.00 0.00 H new ATOM 0 H1' G B 208 -44.542 13.752 -5.774 1.00 0.00 H new ATOM 0 H8 G B 208 -47.312 15.905 -7.234 1.00 0.00 H new ATOM 0 H1 G B 208 -45.055 11.174 -11.029 1.00 0.00 H new ATOM 0 H21 G B 208 -42.732 10.762 -8.576 1.00 0.00 H new ATOM 0 H22 G B 208 -43.408 10.288 -10.138 1.00 0.00 H new ATOM 1142 P G B 209 -43.224 18.700 -4.047 1.00 0.00 P ATOM 1143 OP1 G B 209 -43.368 19.322 -5.382 1.00 0.00 O ATOM 1144 OP2 G B 209 -41.865 18.640 -3.465 1.00 0.00 O ATOM 1145 O5' G B 209 -44.164 19.497 -3.027 1.00 0.00 O ATOM 1146 C5' G B 209 -43.753 19.680 -1.674 1.00 0.00 C ATOM 1147 C4' G B 209 -44.744 19.025 -0.736 1.00 0.00 C ATOM 1148 O4' G B 209 -45.636 19.500 0.130 1.00 0.00 O ATOM 1149 C3' G B 209 -45.484 17.832 -1.335 1.00 0.00 C ATOM 1150 O3' G B 209 -45.130 16.649 -0.622 1.00 0.00 O ATOM 1151 C2' G B 209 -46.944 18.153 -1.181 1.00 0.00 C ATOM 1152 O2' G B 209 -47.538 16.876 -1.116 1.00 0.00 O ATOM 1153 C1' G B 209 -46.927 18.935 0.130 1.00 0.00 C ATOM 1154 N9 G B 209 -47.968 19.981 0.205 1.00 0.00 N ATOM 1155 C8 G B 209 -47.854 21.278 -0.150 1.00 0.00 C ATOM 1156 N7 G B 209 -48.978 21.962 0.041 1.00 0.00 N ATOM 1157 C5 G B 209 -49.846 21.034 0.547 1.00 0.00 C ATOM 1158 C6 G B 209 -51.194 21.137 0.952 1.00 0.00 C ATOM 1159 O6 G B 209 -51.872 22.163 0.917 1.00 0.00 O ATOM 1160 N1 G B 209 -51.795 20.010 1.422 1.00 0.00 N ATOM 1161 C2 G B 209 -51.075 18.867 1.473 1.00 0.00 C ATOM 1162 N2 G B 209 -51.800 17.859 1.952 1.00 0.00 N ATOM 1163 N3 G B 209 -49.794 18.655 1.115 1.00 0.00 N ATOM 1164 C4 G B 209 -49.252 19.817 0.656 1.00 0.00 C ATOM 0 H5' G B 209 -43.677 20.744 -1.450 1.00 0.00 H new ATOM 0 H5'' G B 209 -42.762 19.251 -1.526 1.00 0.00 H new ATOM 0 H4' G B 209 -43.861 19.011 -0.098 1.00 0.00 H new ATOM 0 H3' G B 209 -45.233 17.658 -2.381 1.00 0.00 H new ATOM 0 H2' G B 209 -47.475 18.727 -1.940 1.00 0.00 H new ATOM 0 HO2' G B 209 -47.506 16.455 -2.000 1.00 0.00 H new ATOM 0 H1' G B 209 -47.140 18.300 0.990 1.00 0.00 H new ATOM 0 H8 G B 209 -46.948 21.713 -0.546 1.00 0.00 H new ATOM 0 H1 G B 209 -52.768 20.027 1.729 1.00 0.00 H new ATOM 0 H21 G B 209 -51.385 16.932 2.047 1.00 0.00 H new ATOM 0 H22 G B 209 -52.771 18.013 2.224 1.00 0.00 H new ATOM 1176 P U B 210 -43.622 16.115 -0.656 1.00 0.00 P ATOM 1177 OP1 U B 210 -42.686 17.256 -0.555 1.00 0.00 O ATOM 1178 OP2 U B 210 -43.448 15.188 -1.797 1.00 0.00 O ATOM 1179 O5' U B 210 -43.511 15.263 0.693 1.00 0.00 O ATOM 1180 C5' U B 210 -42.454 14.319 0.857 1.00 0.00 C ATOM 1181 C4' U B 210 -43.021 12.927 1.014 1.00 0.00 C ATOM 1182 O4' U B 210 -44.187 13.062 1.780 1.00 0.00 O ATOM 1183 C3' U B 210 -43.607 12.336 -0.265 1.00 0.00 C ATOM 1184 O3' U B 210 -43.611 10.913 -0.172 1.00 0.00 O ATOM 1185 C2' U B 210 -45.003 12.888 -0.354 1.00 0.00 C ATOM 1186 O2' U B 210 -45.653 11.953 -1.186 1.00 0.00 O ATOM 1187 C1' U B 210 -45.414 12.856 1.116 1.00 0.00 C ATOM 1188 N1 U B 210 -46.398 13.900 1.474 1.00 0.00 N ATOM 1189 C2 U B 210 -47.695 13.641 1.155 1.00 0.00 C ATOM 1190 O2 U B 210 -48.066 12.617 0.603 1.00 0.00 O ATOM 1191 N3 U B 210 -48.613 14.612 1.488 1.00 0.00 N ATOM 1192 C4 U B 210 -48.280 15.790 2.109 1.00 0.00 C ATOM 1193 O4 U B 210 -49.184 16.585 2.359 1.00 0.00 O ATOM 1194 C5 U B 210 -46.912 16.009 2.419 1.00 0.00 C ATOM 1195 C6 U B 210 -46.040 15.055 2.088 1.00 0.00 C ATOM 0 H5' U B 210 -41.857 14.578 1.732 1.00 0.00 H new ATOM 0 H5'' U B 210 -41.788 14.354 -0.005 1.00 0.00 H new ATOM 0 H4' U B 210 -42.205 12.315 1.398 1.00 0.00 H new ATOM 0 H3' U B 210 -43.031 12.592 -1.154 1.00 0.00 H new ATOM 0 H2' U B 210 -45.190 13.881 -0.762 1.00 0.00 H new ATOM 0 HO2' U B 210 -45.139 11.119 -1.204 1.00 0.00 H new ATOM 0 H1' U B 210 -45.918 11.927 1.382 1.00 0.00 H new ATOM 0 H3 U B 210 -49.594 14.447 1.261 1.00 0.00 H new ATOM 0 H5 U B 210 -46.588 16.917 2.906 1.00 0.00 H new ATOM 0 H6 U B 210 -44.997 15.210 2.321 1.00 0.00 H new ATOM 1206 P G B 211 -42.310 10.080 -0.590 1.00 0.00 P ATOM 1207 OP1 G B 211 -41.629 10.752 -1.718 1.00 0.00 O ATOM 1208 OP2 G B 211 -42.665 8.654 -0.759 1.00 0.00 O ATOM 1209 O5' G B 211 -41.373 10.207 0.701 1.00 0.00 O ATOM 1210 C5' G B 211 -40.016 10.620 0.558 1.00 0.00 C ATOM 1211 C4' G B 211 -39.132 9.843 1.507 1.00 0.00 C ATOM 1212 O4' G B 211 -39.427 10.411 2.425 1.00 0.00 O ATOM 1213 C3' G B 211 -39.588 8.410 1.762 1.00 0.00 C ATOM 1214 O3' G B 211 -38.610 7.503 1.257 1.00 0.00 O ATOM 1215 C2' G B 211 -39.728 8.297 3.255 1.00 0.00 C ATOM 1216 O2' G B 211 -38.615 7.505 3.611 1.00 0.00 O ATOM 1217 C1' G B 211 -39.644 9.765 3.660 1.00 0.00 C ATOM 1218 N9 G B 211 -40.869 10.266 4.318 1.00 0.00 N ATOM 1219 C8 G B 211 -41.990 10.722 3.722 1.00 0.00 C ATOM 1220 N7 G B 211 -42.917 11.102 4.596 1.00 0.00 N ATOM 1221 C5 G B 211 -42.336 10.868 5.813 1.00 0.00 C ATOM 1222 C6 G B 211 -42.810 11.064 7.128 1.00 0.00 C ATOM 1223 O6 G B 211 -43.914 11.514 7.427 1.00 0.00 O ATOM 1224 N1 G B 211 -41.977 10.727 8.150 1.00 0.00 N ATOM 1225 C2 G B 211 -40.756 10.228 7.851 1.00 0.00 C ATOM 1226 N2 G B 211 -40.064 9.948 8.952 1.00 0.00 N ATOM 1227 N3 G B 211 -40.205 10.001 6.644 1.00 0.00 N ATOM 1228 C4 G B 211 -41.085 10.357 5.667 1.00 0.00 C ATOM 0 H5' G B 211 -39.930 11.688 0.760 1.00 0.00 H new ATOM 0 H5'' G B 211 -39.686 10.463 -0.469 1.00 0.00 H new ATOM 0 H4' G B 211 -38.094 9.769 1.182 1.00 0.00 H new ATOM 0 H3' G B 211 -40.528 8.169 1.265 1.00 0.00 H new ATOM 0 H2' G B 211 -40.613 7.847 3.704 1.00 0.00 H new ATOM 0 HO2' G B 211 -37.838 8.082 3.762 1.00 0.00 H new ATOM 0 H1' G B 211 -38.865 9.942 4.402 1.00 0.00 H new ATOM 0 H8 G B 211 -42.120 10.773 2.651 1.00 0.00 H new ATOM 0 H1 G B 211 -42.267 10.848 9.120 1.00 0.00 H new ATOM 0 H21 G B 211 -39.122 9.563 8.878 1.00 0.00 H new ATOM 0 H22 G B 211 -40.475 10.118 9.870 1.00 0.00 H new ATOM 1240 P A B 212 -37.056 7.769 1.534 1.00 0.00 P ATOM 1241 OP1 A B 212 -36.362 6.481 1.756 1.00 0.00 O ATOM 1242 OP2 A B 212 -36.906 8.814 2.570 1.00 0.00 O ATOM 1243 O5' A B 212 -36.542 8.374 0.144 1.00 0.00 O ATOM 1244 C5' A B 212 -36.632 7.598 -1.049 1.00 0.00 C ATOM 1245 C4' A B 212 -38.046 7.631 -1.585 1.00 0.00 C ATOM 1246 O4' A B 212 -38.700 8.259 -2.668 1.00 0.00 O ATOM 1247 C3' A B 212 -38.607 6.265 -1.968 1.00 0.00 C ATOM 1248 O3' A B 212 -38.378 5.342 -0.906 1.00 0.00 O ATOM 1249 C2' A B 212 -40.076 6.488 -2.198 1.00 0.00 C ATOM 1250 O2' A B 212 -40.631 6.236 -0.926 1.00 0.00 O ATOM 1251 C1' A B 212 -40.076 7.950 -2.634 1.00 0.00 C ATOM 1252 N9 A B 212 -40.706 8.173 -3.952 1.00 0.00 N ATOM 1253 C8 A B 212 -40.138 8.026 -5.167 1.00 0.00 C ATOM 1254 N7 A B 212 -40.975 8.304 -6.161 1.00 0.00 N ATOM 1255 C5 A B 212 -42.138 8.647 -5.526 1.00 0.00 C ATOM 1256 C6 A B 212 -43.396 9.043 -6.028 1.00 0.00 C ATOM 1257 N6 A B 212 -43.694 9.165 -7.347 1.00 0.00 N ATOM 1258 N1 A B 212 -44.371 9.324 -5.122 1.00 0.00 N ATOM 1259 C2 A B 212 -44.083 9.206 -3.806 1.00 0.00 C ATOM 1260 N3 A B 212 -42.929 8.839 -3.219 1.00 0.00 N ATOM 1261 C4 A B 212 -41.997 8.574 -4.176 1.00 0.00 C ATOM 0 H5' A B 212 -36.336 6.569 -0.846 1.00 0.00 H new ATOM 0 H5'' A B 212 -35.942 7.987 -1.798 1.00 0.00 H new ATOM 0 H4' A B 212 -38.184 8.258 -0.704 1.00 0.00 H new ATOM 0 H3' A B 212 -38.134 5.847 -2.857 1.00 0.00 H new ATOM 0 H2' A B 212 -40.627 5.891 -2.925 1.00 0.00 H new ATOM 0 HO2' A B 212 -41.489 5.774 -1.029 1.00 0.00 H new ATOM 0 H1' A B 212 -40.662 8.577 -1.962 1.00 0.00 H new ATOM 0 H8 A B 212 -39.114 7.716 -5.316 1.00 0.00 H new ATOM 0 H61 A B 212 -44.628 9.457 -7.634 1.00 0.00 H new ATOM 0 H62 A B 212 -42.984 8.965 -8.051 1.00 0.00 H new ATOM 0 H2 A B 212 -44.893 9.439 -3.131 1.00 0.00 H new ATOM 1273 P G B 213 -38.212 3.783 -1.222 1.00 0.00 P ATOM 1274 OP1 G B 213 -37.562 3.108 -0.076 1.00 0.00 O ATOM 1275 OP2 G B 213 -37.597 3.607 -2.556 1.00 0.00 O ATOM 1276 O5' G B 213 -39.726 3.269 -1.303 1.00 0.00 O ATOM 1277 C5' G B 213 -40.463 3.030 -0.107 1.00 0.00 C ATOM 1278 C4' G B 213 -41.880 3.536 -0.260 1.00 0.00 C ATOM 1279 O4' G B 213 -42.315 4.284 -0.934 1.00 0.00 O ATOM 1280 C3' G B 213 -42.955 2.474 -0.044 1.00 0.00 C ATOM 1281 O3' G B 213 -43.026 2.145 1.341 1.00 0.00 O ATOM 1282 C2' G B 213 -44.234 3.099 -0.530 1.00 0.00 C ATOM 1283 O2' G B 213 -44.946 3.316 0.667 1.00 0.00 O ATOM 1284 C1' G B 213 -43.696 4.355 -1.210 1.00 0.00 C ATOM 1285 N9 G B 213 -43.948 4.391 -2.666 1.00 0.00 N ATOM 1286 C8 G B 213 -43.219 3.806 -3.639 1.00 0.00 C ATOM 1287 N7 G B 213 -43.712 4.028 -4.852 1.00 0.00 N ATOM 1288 C5 G B 213 -44.819 4.798 -4.622 1.00 0.00 C ATOM 1289 C6 G B 213 -45.769 5.359 -5.503 1.00 0.00 C ATOM 1290 O6 G B 213 -45.761 5.241 -6.728 1.00 0.00 O ATOM 1291 N1 G B 213 -46.776 6.092 -4.955 1.00 0.00 N ATOM 1292 C2 G B 213 -46.809 6.239 -3.611 1.00 0.00 C ATOM 1293 N2 G B 213 -47.848 6.979 -3.232 1.00 0.00 N ATOM 1294 N3 G B 213 -45.964 5.753 -2.683 1.00 0.00 N ATOM 1295 C4 G B 213 -44.983 5.033 -3.294 1.00 0.00 C ATOM 0 H5' G B 213 -39.979 3.528 0.733 1.00 0.00 H new ATOM 0 H5'' G B 213 -40.472 1.963 0.117 1.00 0.00 H new ATOM 0 H4' G B 213 -41.546 4.245 0.497 1.00 0.00 H new ATOM 0 H3' G B 213 -42.749 1.547 -0.578 1.00 0.00 H new ATOM 0 H2' G B 213 -44.893 2.568 -1.217 1.00 0.00 H new ATOM 0 HO2' G B 213 -44.428 2.969 1.423 1.00 0.00 H new ATOM 0 H1' G B 213 -44.182 5.259 -0.844 1.00 0.00 H new ATOM 0 H8 G B 213 -42.331 3.221 -3.452 1.00 0.00 H new ATOM 0 H1 G B 213 -47.490 6.521 -5.544 1.00 0.00 H new ATOM 0 H21 G B 213 -48.001 7.175 -2.243 1.00 0.00 H new ATOM 0 H22 G B 213 -48.491 7.351 -3.931 1.00 0.00 H new ATOM 1307 P U B 214 -42.721 0.651 1.826 1.00 0.00 P ATOM 1308 OP1 U B 214 -41.326 0.559 2.310 1.00 0.00 O ATOM 1309 OP2 U B 214 -43.146 -0.308 0.781 1.00 0.00 O ATOM 1310 O5' U B 214 -43.694 0.475 3.083 1.00 0.00 O ATOM 1311 C5' U B 214 -44.641 -0.590 3.109 1.00 0.00 C ATOM 1312 C4' U B 214 -45.937 -0.149 2.468 1.00 0.00 C ATOM 1313 O4' U B 214 -46.669 0.823 1.996 1.00 0.00 O ATOM 1314 C3' U B 214 -47.059 -1.183 2.538 1.00 0.00 C ATOM 1315 O3' U B 214 -47.865 -0.931 3.687 1.00 0.00 O ATOM 1316 C2' U B 214 -47.841 -1.005 1.266 1.00 0.00 C ATOM 1317 O2' U B 214 -49.165 -1.258 1.679 1.00 0.00 O ATOM 1318 C1' U B 214 -47.523 0.451 0.937 1.00 0.00 C ATOM 1319 N1 U B 214 -46.860 0.628 -0.372 1.00 0.00 N ATOM 1320 C2 U B 214 -47.511 1.409 -1.276 1.00 0.00 C ATOM 1321 O2 U B 214 -48.583 1.950 -1.056 1.00 0.00 O ATOM 1322 N3 U B 214 -46.897 1.575 -2.497 1.00 0.00 N ATOM 1323 C4 U B 214 -45.693 1.004 -2.825 1.00 0.00 C ATOM 1324 O4 U B 214 -45.236 1.221 -3.946 1.00 0.00 O ATOM 1325 C5 U B 214 -45.056 0.198 -1.844 1.00 0.00 C ATOM 1326 C6 U B 214 -45.670 0.050 -0.668 1.00 0.00 C ATOM 0 H5' U B 214 -44.822 -0.900 4.138 1.00 0.00 H new ATOM 0 H5'' U B 214 -44.241 -1.455 2.581 1.00 0.00 H new ATOM 0 H4' U B 214 -44.989 0.336 2.234 1.00 0.00 H new ATOM 0 H3' U B 214 -46.690 -2.205 2.628 1.00 0.00 H new ATOM 0 H2' U B 214 -47.642 -1.626 0.393 1.00 0.00 H new ATOM 0 HO2' U B 214 -49.251 -1.066 2.636 1.00 0.00 H new ATOM 0 H1' U B 214 -48.424 1.059 0.851 1.00 0.00 H new ATOM 0 H3 U B 214 -47.362 2.154 -3.196 1.00 0.00 H new ATOM 0 H5 U B 214 -44.107 -0.279 -2.043 1.00 0.00 H new ATOM 0 H6 U B 214 -45.195 -0.561 0.085 1.00 0.00 H new ATOM 1337 P A B 215 -47.698 -1.838 4.995 1.00 0.00 P ATOM 1338 OP1 A B 215 -46.281 -2.236 5.148 1.00 0.00 O ATOM 1339 OP2 A B 215 -48.713 -2.915 4.988 1.00 0.00 O ATOM 1340 O5' A B 215 -48.058 -0.827 6.182 1.00 0.00 O ATOM 1341 C5' A B 215 -49.418 -0.624 6.559 1.00 0.00 C ATOM 1342 C4' A B 215 -49.613 0.788 7.061 1.00 0.00 C ATOM 1343 O4' A B 215 -48.802 1.918 6.871 1.00 0.00 O ATOM 1344 C3' A B 215 -51.038 1.317 6.919 1.00 0.00 C ATOM 1345 O3' A B 215 -51.830 0.843 8.005 1.00 0.00 O ATOM 1346 C2' A B 215 -50.909 2.815 6.943 1.00 0.00 C ATOM 1347 O2' A B 215 -50.993 3.112 8.319 1.00 0.00 O ATOM 1348 C1' A B 215 -49.528 2.992 6.317 1.00 0.00 C ATOM 1349 N9 A B 215 -49.538 2.925 4.840 1.00 0.00 N ATOM 1350 C8 A B 215 -48.793 2.124 4.051 1.00 0.00 C ATOM 1351 N7 A B 215 -49.036 2.306 2.758 1.00 0.00 N ATOM 1352 C5 A B 215 -49.996 3.283 2.739 1.00 0.00 C ATOM 1353 C6 A B 215 -50.667 3.914 1.670 1.00 0.00 C ATOM 1354 N6 A B 215 -50.458 3.633 0.358 1.00 0.00 N ATOM 1355 N1 A B 215 -51.586 4.867 1.983 1.00 0.00 N ATOM 1356 C2 A B 215 -51.799 5.154 3.287 1.00 0.00 C ATOM 1357 N3 A B 215 -51.222 4.620 4.380 1.00 0.00 N ATOM 1358 C4 A B 215 -50.317 3.676 3.999 1.00 0.00 C ATOM 0 H5' A B 215 -49.698 -1.336 7.335 1.00 0.00 H new ATOM 0 H5'' A B 215 -50.071 -0.808 5.706 1.00 0.00 H new ATOM 0 H4' A B 215 -49.228 0.420 8.012 1.00 0.00 H new ATOM 0 H3' A B 215 -51.526 0.983 6.003 1.00 0.00 H new ATOM 0 H2' A B 215 -51.627 3.449 6.423 1.00 0.00 H new ATOM 0 HO2' A B 215 -51.493 2.404 8.777 1.00 0.00 H new ATOM 0 H1' A B 215 -49.106 3.975 6.526 1.00 0.00 H new ATOM 0 H8 A B 215 -48.076 1.411 4.430 1.00 0.00 H new ATOM 0 H61 A B 215 -50.983 4.132 -0.360 1.00 0.00 H new ATOM 0 H62 A B 215 -49.776 2.923 0.091 1.00 0.00 H new ATOM 0 H2 A B 215 -52.536 5.920 3.479 1.00 0.00 H new ATOM 1370 P C B 216 -53.165 0.010 7.717 1.00 0.00 P ATOM 1371 OP1 C B 216 -53.995 -0.041 8.942 1.00 0.00 O ATOM 1372 OP2 C B 216 -52.821 -1.277 7.072 1.00 0.00 O ATOM 1373 O5' C B 216 -53.928 0.914 6.640 1.00 0.00 O ATOM 1374 C5' C B 216 -54.303 2.250 6.968 1.00 0.00 C ATOM 1375 C4' C B 216 -54.961 2.913 5.779 1.00 0.00 C ATOM 1376 O4' C B 216 -54.723 3.677 4.949 1.00 0.00 O ATOM 1377 C3' C B 216 -56.243 2.233 5.308 1.00 0.00 C ATOM 1378 O3' C B 216 -57.365 2.856 5.931 1.00 0.00 O ATOM 1379 C2' C B 216 -56.266 2.418 3.816 1.00 0.00 C ATOM 1380 O2' C B 216 -57.522 3.025 3.599 1.00 0.00 O ATOM 1381 C1' C B 216 -55.057 3.329 3.624 1.00 0.00 C ATOM 1382 N1 C B 216 -53.924 2.667 2.944 1.00 0.00 N ATOM 1383 C2 C B 216 -53.803 2.842 1.567 1.00 0.00 C ATOM 1384 O2 C B 216 -54.642 3.536 0.982 1.00 0.00 O ATOM 1385 N3 C B 216 -52.780 2.250 0.926 1.00 0.00 N ATOM 1386 C4 C B 216 -51.893 1.513 1.564 1.00 0.00 C ATOM 1387 N4 C B 216 -50.890 0.937 0.914 1.00 0.00 N ATOM 1388 C5 C B 216 -51.996 1.316 2.992 1.00 0.00 C ATOM 1389 C6 C B 216 -53.021 1.912 3.618 1.00 0.00 C ATOM 0 H5' C B 216 -53.424 2.819 7.271 1.00 0.00 H new ATOM 0 H5'' C B 216 -54.987 2.246 7.816 1.00 0.00 H new ATOM 0 H4' C B 216 -54.397 3.542 6.467 1.00 0.00 H new ATOM 0 H3' C B 216 -56.283 1.175 5.568 1.00 0.00 H new ATOM 0 H2' C B 216 -56.188 1.564 3.143 1.00 0.00 H new ATOM 0 HO2' C B 216 -57.804 3.493 4.413 1.00 0.00 H new ATOM 0 H1' C B 216 -55.282 4.179 2.979 1.00 0.00 H new ATOM 0 H41 C B 216 -50.212 0.370 1.422 1.00 0.00 H new ATOM 0 H42 C B 216 -50.797 1.062 -0.094 1.00 0.00 H new ATOM 0 H5 C B 216 -51.279 0.715 3.531 1.00 0.00 H new ATOM 0 H6 C B 216 -53.130 1.788 4.685 1.00 0.00 H new ATOM 1401 P G B 217 -58.440 1.966 6.714 1.00 0.00 P ATOM 1402 OP1 G B 217 -59.636 2.783 7.018 1.00 0.00 O ATOM 1403 OP2 G B 217 -57.783 1.271 7.844 1.00 0.00 O ATOM 1404 O5' G B 217 -58.856 0.866 5.630 1.00 0.00 O ATOM 1405 C5' G B 217 -59.669 1.233 4.517 1.00 0.00 C ATOM 1406 C4' G B 217 -59.344 0.359 3.326 1.00 0.00 C ATOM 1407 O4' G B 217 -58.499 0.410 2.532 1.00 0.00 O ATOM 1408 C3' G B 217 -59.539 -1.135 3.568 1.00 0.00 C ATOM 1409 O3' G B 217 -60.923 -1.403 3.781 1.00 0.00 O ATOM 1410 C2' G B 217 -59.032 -1.808 2.322 1.00 0.00 C ATOM 1411 O2' G B 217 -60.218 -2.079 1.611 1.00 0.00 O ATOM 1412 C1' G B 217 -58.155 -0.704 1.739 1.00 0.00 C ATOM 1413 N9 G B 217 -56.707 -0.993 1.825 1.00 0.00 N ATOM 1414 C8 G B 217 -55.905 -0.846 2.899 1.00 0.00 C ATOM 1415 N7 G B 217 -54.647 -1.193 2.650 1.00 0.00 N ATOM 1416 C5 G B 217 -54.666 -1.581 1.338 1.00 0.00 C ATOM 1417 C6 G B 217 -53.645 -2.057 0.488 1.00 0.00 C ATOM 1418 O6 G B 217 -52.468 -2.217 0.808 1.00 0.00 O ATOM 1419 N1 G B 217 -53.988 -2.365 -0.793 1.00 0.00 N ATOM 1420 C2 G B 217 -55.276 -2.199 -1.173 1.00 0.00 C ATOM 1421 N2 G B 217 -55.451 -2.541 -2.447 1.00 0.00 N ATOM 1422 N3 G B 217 -56.323 -1.756 -0.453 1.00 0.00 N ATOM 1423 C4 G B 217 -55.914 -1.466 0.814 1.00 0.00 C ATOM 0 H5' G B 217 -59.503 2.281 4.265 1.00 0.00 H new ATOM 0 H5'' G B 217 -60.723 1.130 4.777 1.00 0.00 H new ATOM 0 H4' G B 217 -60.059 1.022 2.840 1.00 0.00 H new ATOM 0 H3' G B 217 -59.007 -1.496 4.448 1.00 0.00 H new ATOM 0 H2' G B 217 -58.460 -2.734 2.377 1.00 0.00 H new ATOM 0 HO2' G B 217 -60.100 -2.891 1.076 1.00 0.00 H new ATOM 0 H1' G B 217 -58.326 -0.567 0.671 1.00 0.00 H new ATOM 0 H8 G B 217 -56.248 -0.485 3.857 1.00 0.00 H new ATOM 0 H1 G B 217 -53.290 -2.713 -1.451 1.00 0.00 H new ATOM 0 H21 G B 217 -56.375 -2.468 -2.872 1.00 0.00 H new ATOM 0 H22 G B 217 -54.661 -2.877 -2.998 1.00 0.00 H new ATOM 1435 P C B 218 -61.368 -2.509 4.849 1.00 0.00 P ATOM 1436 OP1 C B 218 -62.826 -2.418 5.082 1.00 0.00 O ATOM 1437 OP2 C B 218 -60.482 -2.443 6.032 1.00 0.00 O ATOM 1438 O5' C B 218 -61.073 -3.884 4.087 1.00 0.00 O ATOM 1439 C5' C B 218 -61.741 -4.177 2.861 1.00 0.00 C ATOM 1440 C4' C B 218 -60.822 -4.948 1.940 1.00 0.00 C ATOM 1441 O4' C B 218 -59.722 -4.562 1.384 1.00 0.00 O ATOM 1442 C3' C B 218 -60.377 -6.303 2.483 1.00 0.00 C ATOM 1443 O3' C B 218 -61.509 -7.163 2.599 1.00 0.00 O ATOM 1444 C2' C B 218 -59.387 -6.826 1.479 1.00 0.00 C ATOM 1445 O2' C B 218 -60.209 -7.502 0.555 1.00 0.00 O ATOM 1446 C1' C B 218 -58.773 -5.523 0.979 1.00 0.00 C ATOM 1447 N1 C B 218 -57.444 -5.237 1.558 1.00 0.00 N ATOM 1448 C2 C B 218 -56.322 -5.531 0.784 1.00 0.00 C ATOM 1449 O2 C B 218 -56.490 -6.014 -0.341 1.00 0.00 O ATOM 1450 N3 C B 218 -55.101 -5.280 1.290 1.00 0.00 N ATOM 1451 C4 C B 218 -54.941 -4.765 2.493 1.00 0.00 C ATOM 1452 N4 C B 218 -53.727 -4.523 2.973 1.00 0.00 N ATOM 1453 C5 C B 218 -56.086 -4.450 3.315 1.00 0.00 C ATOM 1454 C6 C B 218 -57.296 -4.706 2.796 1.00 0.00 C ATOM 0 H5' C B 218 -62.058 -3.251 2.380 1.00 0.00 H new ATOM 0 H5'' C B 218 -62.642 -4.758 3.058 1.00 0.00 H new ATOM 0 H4' C B 218 -61.589 -4.834 1.174 1.00 0.00 H new ATOM 0 H3' C B 218 -59.928 -6.237 3.474 1.00 0.00 H new ATOM 0 H2' C B 218 -58.593 -7.510 1.778 1.00 0.00 H new ATOM 0 HO2' C B 218 -60.053 -8.467 0.624 1.00 0.00 H new ATOM 0 H1' C B 218 -58.585 -5.545 -0.094 1.00 0.00 H new ATOM 0 H41 C B 218 -53.617 -4.124 3.905 1.00 0.00 H new ATOM 0 H42 C B 218 -52.904 -4.736 2.409 1.00 0.00 H new ATOM 0 H5 C B 218 -55.973 -4.028 4.303 1.00 0.00 H new ATOM 0 H6 C B 218 -58.176 -4.483 3.381 1.00 0.00 H new ATOM 1466 P C B 219 -61.669 -8.106 3.881 1.00 0.00 P ATOM 1467 OP1 C B 219 -63.104 -8.368 4.131 1.00 0.00 O ATOM 1468 OP2 C B 219 -60.869 -7.564 5.001 1.00 0.00 O ATOM 1469 O5' C B 219 -60.991 -9.476 3.406 1.00 0.00 O ATOM 1470 C5' C B 219 -61.445 -10.122 2.219 1.00 0.00 C ATOM 1471 C4' C B 219 -60.305 -10.875 1.568 1.00 0.00 C ATOM 1472 O4' C B 219 -59.269 -9.999 1.297 1.00 0.00 O ATOM 1473 C3' C B 219 -59.499 -11.747 2.527 1.00 0.00 C ATOM 1474 O3' C B 219 -60.166 -13.007 2.697 1.00 0.00 O ATOM 1475 C2' C B 219 -58.155 -11.916 1.874 1.00 0.00 C ATOM 1476 O2' C B 219 -58.384 -12.965 0.960 1.00 0.00 O ATOM 1477 C1' C B 219 -57.965 -10.535 1.253 1.00 0.00 C ATOM 1478 N1 C B 219 -57.012 -9.683 1.993 1.00 0.00 N ATOM 1479 C2 C B 219 -55.713 -9.580 1.497 1.00 0.00 C ATOM 1480 O2 C B 219 -55.422 -10.201 0.469 1.00 0.00 O ATOM 1481 N3 C B 219 -54.828 -8.809 2.153 1.00 0.00 N ATOM 1482 C4 C B 219 -55.155 -8.153 3.249 1.00 0.00 C ATOM 1483 N4 C B 219 -54.266 -7.398 3.882 1.00 0.00 N ATOM 1484 C5 C B 219 -56.494 -8.242 3.784 1.00 0.00 C ATOM 1485 C6 C B 219 -57.366 -9.015 3.118 1.00 0.00 C ATOM 0 H5' C B 219 -61.847 -9.384 1.525 1.00 0.00 H new ATOM 0 H5'' C B 219 -62.256 -10.810 2.458 1.00 0.00 H new ATOM 0 H4' C B 219 -60.800 -11.404 0.753 1.00 0.00 H new ATOM 0 H3' C B 219 -59.395 -11.307 3.519 1.00 0.00 H new ATOM 0 H2' C B 219 -57.274 -12.175 2.461 1.00 0.00 H new ATOM 0 HO2' C B 219 -59.237 -13.400 1.169 1.00 0.00 H new ATOM 0 HO3' C B 219 -59.650 -13.570 3.311 1.00 0.00 H new ATOM 0 H1' C B 219 -57.535 -10.590 0.253 1.00 0.00 H new ATOM 0 H41 C B 219 -54.534 -6.896 4.729 1.00 0.00 H new ATOM 0 H42 C B 219 -53.315 -7.319 3.522 1.00 0.00 H new ATOM 0 H5 C B 219 -56.780 -7.711 4.679 1.00 0.00 H new ATOM 0 H6 C B 219 -58.376 -9.107 3.488 1.00 0.00 H new TER 1497 C B 219 HETATM 1498 ZN ZN A 128 -50.279 11.330 7.839 1.00 0.00 ZN HETATM 1499 ZN ZN A 149 -54.242 28.042 2.128 1.00 0.00 ZN