USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 820 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 175 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 180 HIS : no HE2:sc= -3.06! K(o=-3.1!,f=-3.7) USER MOD Set 2.1: A 75 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 80 HIS : no HE2:sc= -3.05! K(o=-3!,f=-3.8) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -169:sc= -10.7! (180deg=-10.9!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 160:sc= -2.85! USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.028) USER MOD Single : A 59 LYS NZ :NH3+ 155:sc= 0.226 (180deg=0.0809) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : B 110 CYS SG : rot 180:sc= 0 USER MOD Single : B 118 LYS NZ :NH3+ -174:sc= -10.4! (180deg=-10.9!) USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 138 THR OG1 : rot 162:sc= -3.12! USER MOD Single : B 145 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 156 SER OG : rot 180:sc= 0 USER MOD Single : B 158 GLN : amide:sc= -0.293 X(o=-0.29,f=-0.04) USER MOD Single : B 159 LYS NZ :NH3+ 158:sc= 0.219 (180deg=0.0956) USER MOD Single : B 163 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 10 10.781 32.946 -0.571 1.00 2.54 N ATOM 146 CA CYS A 10 10.796 31.628 0.056 1.00 1.93 C ATOM 147 C CYS A 10 9.413 31.171 0.535 1.00 1.72 C ATOM 148 O CYS A 10 9.127 31.203 1.733 1.00 1.97 O ATOM 149 CB CYS A 10 11.865 31.540 1.129 1.00 2.28 C ATOM 150 SG CYS A 10 13.269 30.482 0.629 1.00 2.68 S ATOM 0 HA CYS A 10 11.068 30.911 -0.718 1.00 1.93 H new ATOM 0 HB2 CYS A 10 12.231 32.541 1.356 1.00 2.28 H new ATOM 0 HB3 CYS A 10 11.425 31.146 2.045 1.00 2.28 H new ATOM 0 HG CYS A 10 14.149 30.448 1.585 1.00 2.68 H new ATOM 155 N LEU A 11 8.564 30.756 -0.408 1.00 1.49 N ATOM 156 CA LEU A 11 7.198 30.297 -0.108 1.00 1.39 C ATOM 157 C LEU A 11 7.072 29.631 1.266 1.00 1.20 C ATOM 158 O LEU A 11 7.651 28.571 1.507 1.00 1.16 O ATOM 159 CB LEU A 11 6.706 29.342 -1.188 1.00 1.55 C ATOM 160 CG LEU A 11 5.269 29.591 -1.642 1.00 1.91 C ATOM 161 CD1 LEU A 11 4.301 29.365 -0.491 1.00 2.48 C ATOM 162 CD2 LEU A 11 5.129 31.002 -2.192 1.00 2.29 C ATOM 0 H LEU A 11 8.799 30.727 -1.400 1.00 1.49 H new ATOM 0 HA LEU A 11 6.575 31.191 -0.089 1.00 1.39 H new ATOM 0 HB2 LEU A 11 7.366 29.419 -2.052 1.00 1.55 H new ATOM 0 HB3 LEU A 11 6.785 28.320 -0.816 1.00 1.55 H new ATOM 0 HG LEU A 11 5.026 28.885 -2.436 1.00 1.91 H new ATOM 0 HD11 LEU A 11 3.282 29.547 -0.832 1.00 2.48 H new ATOM 0 HD12 LEU A 11 4.388 28.337 -0.139 1.00 2.48 H new ATOM 0 HD13 LEU A 11 4.538 30.049 0.324 1.00 2.48 H new ATOM 0 HD21 LEU A 11 4.100 31.167 -2.512 1.00 2.29 H new ATOM 0 HD22 LEU A 11 5.388 31.722 -1.416 1.00 2.29 H new ATOM 0 HD23 LEU A 11 5.799 31.129 -3.043 1.00 2.29 H new ATOM 174 N PRO A 12 6.319 30.266 2.183 1.00 1.19 N ATOM 175 CA PRO A 12 6.109 29.785 3.547 1.00 1.11 C ATOM 176 C PRO A 12 4.859 28.917 3.751 1.00 1.01 C ATOM 177 O PRO A 12 3.849 29.092 3.069 1.00 1.05 O ATOM 178 CB PRO A 12 5.943 31.096 4.300 1.00 1.29 C ATOM 179 CG PRO A 12 5.161 31.943 3.358 1.00 1.49 C ATOM 180 CD PRO A 12 5.620 31.555 1.973 1.00 1.39 C ATOM 0 HA PRO A 12 6.922 29.132 3.865 1.00 1.11 H new ATOM 0 HB2 PRO A 12 5.416 30.953 5.243 1.00 1.29 H new ATOM 0 HB3 PRO A 12 6.907 31.546 4.539 1.00 1.29 H new ATOM 0 HG2 PRO A 12 4.091 31.773 3.477 1.00 1.49 H new ATOM 0 HG3 PRO A 12 5.338 33.002 3.546 1.00 1.49 H new ATOM 0 HD2 PRO A 12 4.779 31.448 1.288 1.00 1.39 H new ATOM 0 HD3 PRO A 12 6.285 32.306 1.546 1.00 1.39 H new ATOM 188 N CYS A 13 4.922 28.028 4.757 1.00 0.93 N ATOM 189 CA CYS A 13 3.786 27.195 5.128 1.00 0.89 C ATOM 190 C CYS A 13 3.899 26.794 6.614 1.00 0.90 C ATOM 191 O CYS A 13 4.700 27.365 7.374 1.00 1.00 O ATOM 192 CB CYS A 13 3.726 25.949 4.231 1.00 0.82 C ATOM 193 SG CYS A 13 4.991 24.682 4.596 1.00 0.86 S ATOM 0 H CYS A 13 5.755 27.874 5.325 1.00 0.93 H new ATOM 0 HA CYS A 13 2.864 27.760 4.987 1.00 0.89 H new ATOM 0 HB2 CYS A 13 2.739 25.496 4.328 1.00 0.82 H new ATOM 0 HB3 CYS A 13 3.833 26.261 3.192 1.00 0.82 H new ATOM 198 N GLY A 14 3.179 25.728 6.981 1.00 0.91 N ATOM 199 CA GLY A 14 3.269 25.169 8.323 1.00 0.98 C ATOM 200 C GLY A 14 2.587 25.976 9.414 1.00 1.10 C ATOM 201 O GLY A 14 1.793 26.872 9.132 1.00 1.15 O ATOM 0 H GLY A 14 2.530 25.240 6.364 1.00 0.91 H new ATOM 0 HA2 GLY A 14 2.836 24.169 8.311 1.00 0.98 H new ATOM 0 HA3 GLY A 14 4.322 25.058 8.582 1.00 0.98 H new ATOM 205 N PRO A 15 2.939 25.697 10.689 1.00 1.19 N ATOM 206 CA PRO A 15 2.424 26.412 11.871 1.00 1.33 C ATOM 207 C PRO A 15 2.813 27.876 11.809 1.00 1.40 C ATOM 208 O PRO A 15 3.943 28.274 12.049 1.00 1.57 O ATOM 209 CB PRO A 15 3.134 25.720 13.019 1.00 1.46 C ATOM 210 CG PRO A 15 4.392 25.434 12.353 1.00 1.39 C ATOM 211 CD PRO A 15 3.949 24.730 11.116 1.00 1.21 C ATOM 0 HA PRO A 15 1.338 26.387 11.958 1.00 1.33 H new ATOM 0 HB2 PRO A 15 3.254 26.363 13.891 1.00 1.46 H new ATOM 0 HB3 PRO A 15 2.619 24.820 13.354 1.00 1.46 H new ATOM 0 HG2 PRO A 15 4.947 26.344 12.125 1.00 1.39 H new ATOM 0 HG3 PRO A 15 5.042 24.809 12.965 1.00 1.39 H new ATOM 0 HD2 PRO A 15 4.750 24.601 10.389 1.00 1.21 H new ATOM 0 HD3 PRO A 15 3.536 23.741 11.313 1.00 1.21 H new ATOM 219 N GLY A 16 1.842 28.626 11.482 1.00 1.34 N ATOM 220 CA GLY A 16 1.916 30.052 11.318 1.00 1.47 C ATOM 221 C GLY A 16 2.343 30.438 9.932 1.00 1.43 C ATOM 222 O GLY A 16 2.305 31.620 9.578 1.00 1.68 O ATOM 0 H GLY A 16 0.907 28.257 11.306 1.00 1.34 H new ATOM 0 HA2 GLY A 16 0.942 30.492 11.533 1.00 1.47 H new ATOM 0 HA3 GLY A 16 2.619 30.464 12.042 1.00 1.47 H new ATOM 226 N GLY A 17 2.759 29.461 9.132 1.00 1.28 N ATOM 227 CA GLY A 17 3.156 29.745 7.817 1.00 1.25 C ATOM 228 C GLY A 17 4.530 30.335 7.688 1.00 1.24 C ATOM 229 O GLY A 17 4.760 31.230 6.882 1.00 1.36 O ATOM 0 H GLY A 17 2.819 28.478 9.399 1.00 1.28 H new ATOM 0 HA2 GLY A 17 3.114 28.825 7.233 1.00 1.25 H new ATOM 0 HA3 GLY A 17 2.437 30.435 7.376 1.00 1.25 H new ATOM 233 N LYS A 18 5.477 29.755 8.423 1.00 1.18 N ATOM 234 CA LYS A 18 6.867 30.155 8.327 1.00 1.23 C ATOM 235 C LYS A 18 7.491 29.220 7.286 1.00 1.13 C ATOM 236 O LYS A 18 8.424 29.601 6.578 1.00 1.22 O ATOM 237 CB LYS A 18 7.486 30.049 9.719 1.00 1.28 C ATOM 238 CG LYS A 18 6.419 30.053 10.828 1.00 1.34 C ATOM 239 CD LYS A 18 6.600 28.934 11.836 1.00 1.73 C ATOM 240 CE LYS A 18 6.871 27.584 11.178 1.00 1.91 C ATOM 241 NZ LYS A 18 5.844 27.251 10.155 1.00 2.50 N ATOM 0 H LYS A 18 5.300 29.005 9.091 1.00 1.18 H new ATOM 0 HA LYS A 18 7.025 31.185 8.006 1.00 1.23 H new ATOM 0 HB2 LYS A 18 8.074 29.134 9.785 1.00 1.28 H new ATOM 0 HB3 LYS A 18 8.173 30.881 9.874 1.00 1.28 H new ATOM 0 HG2 LYS A 18 6.449 31.010 11.348 1.00 1.34 H new ATOM 0 HG3 LYS A 18 5.432 29.968 10.374 1.00 1.34 H new ATOM 0 HD2 LYS A 18 7.427 29.181 12.502 1.00 1.73 H new ATOM 0 HD3 LYS A 18 5.705 28.859 12.454 1.00 1.73 H new ATOM 0 HE2 LYS A 18 7.856 27.598 10.712 1.00 1.91 H new ATOM 0 HE3 LYS A 18 6.890 26.805 11.941 1.00 1.91 H new ATOM 0 HZ1 LYS A 18 5.951 26.258 9.866 1.00 2.50 H new ATOM 0 HZ2 LYS A 18 4.895 27.394 10.556 1.00 2.50 H new ATOM 0 HZ3 LYS A 18 5.966 27.868 9.327 1.00 2.50 H new ATOM 255 N GLY A 19 7.224 27.923 7.487 1.00 1.02 N ATOM 256 CA GLY A 19 8.018 26.935 6.757 1.00 0.95 C ATOM 257 C GLY A 19 7.832 26.912 5.251 1.00 0.91 C ATOM 258 O GLY A 19 6.996 27.569 4.683 1.00 1.00 O ATOM 0 H GLY A 19 6.508 27.551 8.111 1.00 1.02 H new ATOM 0 HA2 GLY A 19 9.072 27.116 6.970 1.00 0.95 H new ATOM 0 HA3 GLY A 19 7.779 25.946 7.148 1.00 0.95 H new ATOM 262 N ARG A 20 8.794 26.289 4.619 1.00 0.86 N ATOM 263 CA ARG A 20 8.881 26.336 3.173 1.00 0.86 C ATOM 264 C ARG A 20 8.310 25.124 2.453 1.00 0.80 C ATOM 265 O ARG A 20 8.066 24.074 3.048 1.00 0.78 O ATOM 266 CB ARG A 20 10.322 26.617 2.786 1.00 0.94 C ATOM 267 CG ARG A 20 10.555 28.078 2.424 1.00 1.13 C ATOM 268 CD ARG A 20 11.072 28.880 3.610 1.00 1.55 C ATOM 269 NE ARG A 20 12.385 28.421 4.054 1.00 1.82 N ATOM 270 CZ ARG A 20 12.665 28.071 5.309 1.00 2.25 C ATOM 271 NH1 ARG A 20 11.736 28.138 6.255 1.00 2.59 N ATOM 272 NH2 ARG A 20 13.885 27.656 5.620 1.00 2.92 N ATOM 0 H ARG A 20 9.526 25.745 5.075 1.00 0.86 H new ATOM 0 HA ARG A 20 8.235 27.146 2.834 1.00 0.86 H new ATOM 0 HB2 ARG A 20 10.977 26.342 3.613 1.00 0.94 H new ATOM 0 HB3 ARG A 20 10.597 25.988 1.939 1.00 0.94 H new ATOM 0 HG2 ARG A 20 11.271 28.139 1.604 1.00 1.13 H new ATOM 0 HG3 ARG A 20 9.623 28.517 2.067 1.00 1.13 H new ATOM 0 HD2 ARG A 20 11.130 29.934 3.337 1.00 1.55 H new ATOM 0 HD3 ARG A 20 10.364 28.803 4.435 1.00 1.55 H new ATOM 0 HE ARG A 20 13.133 28.365 3.362 1.00 1.82 H new ATOM 0 HH11 ARG A 20 10.796 28.460 6.025 1.00 2.59 H new ATOM 0 HH12 ARG A 20 11.962 27.867 7.212 1.00 2.59 H new ATOM 0 HH21 ARG A 20 14.606 27.605 4.900 1.00 2.92 H new ATOM 0 HH22 ARG A 20 14.103 27.387 6.579 1.00 2.92 H new ATOM 286 N CYS A 21 8.079 25.317 1.152 1.00 0.82 N ATOM 287 CA CYS A 21 7.487 24.288 0.293 1.00 0.81 C ATOM 288 C CYS A 21 8.539 23.682 -0.628 1.00 0.84 C ATOM 289 O CYS A 21 9.334 24.392 -1.247 1.00 1.04 O ATOM 290 CB CYS A 21 6.379 24.906 -0.590 1.00 0.91 C ATOM 291 SG CYS A 21 4.668 24.825 0.066 1.00 1.10 S ATOM 0 H CYS A 21 8.296 26.187 0.666 1.00 0.82 H new ATOM 0 HA CYS A 21 7.073 23.515 0.940 1.00 0.81 H new ATOM 0 HB2 CYS A 21 6.627 25.953 -0.766 1.00 0.91 H new ATOM 0 HB3 CYS A 21 6.397 24.407 -1.559 1.00 0.91 H new ATOM 296 N PHE A 22 8.523 22.358 -0.710 1.00 0.76 N ATOM 297 CA PHE A 22 9.455 21.614 -1.548 1.00 0.83 C ATOM 298 C PHE A 22 8.703 20.546 -2.338 1.00 0.94 C ATOM 299 O PHE A 22 9.211 19.447 -2.564 1.00 1.43 O ATOM 300 CB PHE A 22 10.538 20.964 -0.681 1.00 0.85 C ATOM 301 CG PHE A 22 11.455 21.957 -0.028 1.00 0.84 C ATOM 302 CD1 PHE A 22 11.026 22.714 1.051 1.00 1.40 C ATOM 303 CD2 PHE A 22 12.743 22.146 -0.505 1.00 1.42 C ATOM 304 CE1 PHE A 22 11.866 23.638 1.645 1.00 1.51 C ATOM 305 CE2 PHE A 22 13.586 23.070 0.083 1.00 1.50 C ATOM 306 CZ PHE A 22 13.147 23.818 1.159 1.00 1.14 C ATOM 0 H PHE A 22 7.865 21.770 -0.198 1.00 0.76 H new ATOM 0 HA PHE A 22 9.932 22.302 -2.247 1.00 0.83 H new ATOM 0 HB2 PHE A 22 10.061 20.359 0.090 1.00 0.85 H new ATOM 0 HB3 PHE A 22 11.128 20.286 -1.298 1.00 0.85 H new ATOM 0 HD1 PHE A 22 10.024 22.581 1.432 1.00 1.40 H new ATOM 0 HD2 PHE A 22 13.092 21.565 -1.346 1.00 1.42 H new ATOM 0 HE1 PHE A 22 11.521 24.218 2.488 1.00 1.51 H new ATOM 0 HE2 PHE A 22 14.587 23.207 -0.298 1.00 1.50 H new ATOM 0 HZ PHE A 22 13.804 24.542 1.619 1.00 1.14 H new ATOM 316 N GLY A 23 7.485 20.884 -2.755 1.00 0.83 N ATOM 317 CA GLY A 23 6.666 19.954 -3.514 1.00 0.88 C ATOM 318 C GLY A 23 5.186 20.085 -3.187 1.00 0.88 C ATOM 319 O GLY A 23 4.825 20.696 -2.180 1.00 0.90 O ATOM 0 H GLY A 23 7.049 21.789 -2.580 1.00 0.83 H new ATOM 0 HA2 GLY A 23 6.817 20.127 -4.580 1.00 0.88 H new ATOM 0 HA3 GLY A 23 6.992 18.935 -3.308 1.00 0.88 H new ATOM 323 N PRO A 24 4.300 19.524 -4.030 1.00 1.01 N ATOM 324 CA PRO A 24 2.845 19.592 -3.816 1.00 1.07 C ATOM 325 C PRO A 24 2.432 19.127 -2.416 1.00 0.96 C ATOM 326 O PRO A 24 2.081 19.947 -1.569 1.00 1.03 O ATOM 327 CB PRO A 24 2.280 18.665 -4.897 1.00 1.32 C ATOM 328 CG PRO A 24 3.324 18.638 -5.961 1.00 1.50 C ATOM 329 CD PRO A 24 4.645 18.787 -5.258 1.00 1.24 C ATOM 0 HA PRO A 24 2.471 20.613 -3.883 1.00 1.07 H new ATOM 0 HB2 PRO A 24 2.092 17.666 -4.503 1.00 1.32 H new ATOM 0 HB3 PRO A 24 1.332 19.039 -5.283 1.00 1.32 H new ATOM 0 HG2 PRO A 24 3.285 17.704 -6.521 1.00 1.50 H new ATOM 0 HG3 PRO A 24 3.171 19.446 -6.677 1.00 1.50 H new ATOM 0 HD2 PRO A 24 5.091 17.818 -5.033 1.00 1.24 H new ATOM 0 HD3 PRO A 24 5.364 19.335 -5.867 1.00 1.24 H new ATOM 337 N SER A 25 2.489 17.819 -2.165 1.00 0.97 N ATOM 338 CA SER A 25 2.138 17.280 -0.850 1.00 0.92 C ATOM 339 C SER A 25 3.387 17.213 0.016 1.00 0.78 C ATOM 340 O SER A 25 3.642 16.211 0.680 1.00 0.81 O ATOM 341 CB SER A 25 1.523 15.874 -0.981 1.00 1.12 C ATOM 342 OG SER A 25 0.107 15.932 -0.957 1.00 1.26 O ATOM 0 H SER A 25 2.773 17.117 -2.849 1.00 0.97 H new ATOM 0 HA SER A 25 1.400 17.936 -0.388 1.00 0.92 H new ATOM 0 HB2 SER A 25 1.855 15.414 -1.911 1.00 1.12 H new ATOM 0 HB3 SER A 25 1.878 15.241 -0.168 1.00 1.12 H new ATOM 0 HG SER A 25 -0.259 15.027 -1.043 1.00 1.26 H new ATOM 348 N ILE A 26 4.198 18.260 -0.038 1.00 0.70 N ATOM 349 CA ILE A 26 5.441 18.269 0.696 1.00 0.61 C ATOM 350 C ILE A 26 5.821 19.652 1.242 1.00 0.58 C ATOM 351 O ILE A 26 5.995 20.605 0.480 1.00 0.73 O ATOM 352 CB ILE A 26 6.556 17.743 -0.215 1.00 0.60 C ATOM 353 CG1 ILE A 26 6.041 16.601 -1.090 1.00 0.79 C ATOM 354 CG2 ILE A 26 7.749 17.320 0.593 1.00 0.74 C ATOM 355 CD1 ILE A 26 7.103 16.033 -2.012 1.00 0.83 C ATOM 0 H ILE A 26 4.014 19.105 -0.580 1.00 0.70 H new ATOM 0 HA ILE A 26 5.308 17.626 1.566 1.00 0.61 H new ATOM 0 HB ILE A 26 6.874 18.551 -0.874 1.00 0.60 H new ATOM 0 HG12 ILE A 26 5.660 15.805 -0.451 1.00 0.79 H new ATOM 0 HG13 ILE A 26 5.203 16.959 -1.688 1.00 0.79 H new ATOM 0 HG21 ILE A 26 8.528 16.950 -0.074 1.00 0.74 H new ATOM 0 HG22 ILE A 26 8.128 18.173 1.156 1.00 0.74 H new ATOM 0 HG23 ILE A 26 7.458 16.529 1.285 1.00 0.74 H new ATOM 0 HD11 ILE A 26 6.675 15.226 -2.607 1.00 0.83 H new ATOM 0 HD12 ILE A 26 7.467 16.818 -2.675 1.00 0.83 H new ATOM 0 HD13 ILE A 26 7.931 15.646 -1.418 1.00 0.83 H new ATOM 367 N CYS A 27 5.973 19.746 2.566 1.00 0.56 N ATOM 368 CA CYS A 27 6.362 21.006 3.210 1.00 0.56 C ATOM 369 C CYS A 27 7.395 20.752 4.314 1.00 0.55 C ATOM 370 O CYS A 27 7.110 20.139 5.331 1.00 0.59 O ATOM 371 CB CYS A 27 5.145 21.751 3.774 1.00 0.60 C ATOM 372 SG CYS A 27 4.865 23.392 3.029 1.00 0.92 S ATOM 0 H CYS A 27 5.834 18.969 3.212 1.00 0.56 H new ATOM 0 HA CYS A 27 6.814 21.640 2.447 1.00 0.56 H new ATOM 0 HB2 CYS A 27 4.256 21.139 3.623 1.00 0.60 H new ATOM 0 HB3 CYS A 27 5.272 21.869 4.850 1.00 0.60 H new ATOM 377 N CYS A 28 8.600 21.230 4.071 1.00 0.56 N ATOM 378 CA CYS A 28 9.723 21.097 4.956 1.00 0.58 C ATOM 379 C CYS A 28 10.510 22.414 5.223 1.00 0.61 C ATOM 380 O CYS A 28 11.084 23.003 4.315 1.00 0.76 O ATOM 381 CB CYS A 28 10.763 20.118 4.357 1.00 0.65 C ATOM 382 SG CYS A 28 10.271 19.324 2.790 1.00 1.28 S ATOM 0 H CYS A 28 8.824 21.740 3.217 1.00 0.56 H new ATOM 0 HA CYS A 28 9.279 20.753 5.890 1.00 0.58 H new ATOM 0 HB2 CYS A 28 11.695 20.659 4.195 1.00 0.65 H new ATOM 0 HB3 CYS A 28 10.970 19.339 5.091 1.00 0.65 H new ATOM 387 N GLY A 29 10.530 22.820 6.511 1.00 0.62 N ATOM 388 CA GLY A 29 11.284 23.958 6.931 1.00 0.65 C ATOM 389 C GLY A 29 12.459 23.442 7.721 1.00 0.67 C ATOM 390 O GLY A 29 12.758 22.248 7.681 1.00 0.66 O ATOM 0 H GLY A 29 10.020 22.354 7.261 1.00 0.62 H new ATOM 0 HA2 GLY A 29 11.622 24.536 6.071 1.00 0.65 H new ATOM 0 HA3 GLY A 29 10.672 24.623 7.540 1.00 0.65 H new ATOM 394 N ASP A 30 13.120 24.298 8.429 1.00 0.72 N ATOM 395 CA ASP A 30 14.265 23.887 9.207 1.00 0.76 C ATOM 396 C ASP A 30 13.956 22.993 10.395 1.00 0.77 C ATOM 397 O ASP A 30 14.435 21.866 10.483 1.00 0.80 O ATOM 398 CB ASP A 30 15.032 25.105 9.721 1.00 0.84 C ATOM 399 CG ASP A 30 16.424 24.735 10.200 1.00 1.41 C ATOM 400 OD1 ASP A 30 17.264 24.372 9.351 1.00 1.92 O ATOM 401 OD2 ASP A 30 16.672 24.797 11.424 1.00 2.27 O ATOM 0 H ASP A 30 12.894 25.291 8.491 1.00 0.72 H new ATOM 0 HA ASP A 30 14.859 23.295 8.511 1.00 0.76 H new ATOM 0 HB2 ASP A 30 15.107 25.849 8.928 1.00 0.84 H new ATOM 0 HB3 ASP A 30 14.477 25.565 10.538 1.00 0.84 H new ATOM 406 N GLU A 31 13.169 23.502 11.306 1.00 0.78 N ATOM 407 CA GLU A 31 12.850 22.778 12.534 1.00 0.83 C ATOM 408 C GLU A 31 11.456 22.274 12.520 1.00 0.87 C ATOM 409 O GLU A 31 10.861 21.992 13.558 1.00 1.00 O ATOM 410 CB GLU A 31 13.054 23.639 13.776 1.00 0.90 C ATOM 411 CG GLU A 31 13.499 25.065 13.513 1.00 0.99 C ATOM 412 CD GLU A 31 14.186 25.679 14.718 1.00 1.14 C ATOM 413 OE1 GLU A 31 15.370 25.359 14.959 1.00 1.64 O ATOM 414 OE2 GLU A 31 13.535 26.475 15.426 1.00 1.66 O ATOM 0 H GLU A 31 12.729 24.419 11.231 1.00 0.78 H new ATOM 0 HA GLU A 31 13.539 21.934 12.576 1.00 0.83 H new ATOM 0 HB2 GLU A 31 12.120 23.665 14.337 1.00 0.90 H new ATOM 0 HB3 GLU A 31 13.795 23.157 14.414 1.00 0.90 H new ATOM 0 HG2 GLU A 31 14.179 25.081 12.661 1.00 0.99 H new ATOM 0 HG3 GLU A 31 12.634 25.670 13.242 1.00 0.99 H new ATOM 421 N LEU A 32 10.923 22.222 11.348 1.00 0.82 N ATOM 422 CA LEU A 32 9.617 21.784 11.127 1.00 0.88 C ATOM 423 C LEU A 32 9.724 20.522 10.317 1.00 0.82 C ATOM 424 O LEU A 32 8.872 19.637 10.382 1.00 0.90 O ATOM 425 CB LEU A 32 8.901 22.881 10.403 1.00 0.93 C ATOM 426 CG LEU A 32 7.771 23.524 11.188 1.00 1.15 C ATOM 427 CD1 LEU A 32 7.249 24.754 10.468 1.00 1.24 C ATOM 428 CD2 LEU A 32 6.660 22.521 11.437 1.00 1.37 C ATOM 0 H LEU A 32 11.414 22.496 10.497 1.00 0.82 H new ATOM 0 HA LEU A 32 9.059 21.565 12.038 1.00 0.88 H new ATOM 0 HB2 LEU A 32 9.623 23.652 10.133 1.00 0.93 H new ATOM 0 HB3 LEU A 32 8.498 22.482 9.472 1.00 0.93 H new ATOM 0 HG LEU A 32 8.159 23.844 12.155 1.00 1.15 H new ATOM 0 HD11 LEU A 32 6.440 25.199 11.048 1.00 1.24 H new ATOM 0 HD12 LEU A 32 8.055 25.479 10.354 1.00 1.24 H new ATOM 0 HD13 LEU A 32 6.876 24.469 9.484 1.00 1.24 H new ATOM 0 HD21 LEU A 32 5.858 22.998 12.001 1.00 1.37 H new ATOM 0 HD22 LEU A 32 6.271 22.165 10.483 1.00 1.37 H new ATOM 0 HD23 LEU A 32 7.052 21.678 12.006 1.00 1.37 H new ATOM 440 N GLY A 33 10.836 20.424 9.602 1.00 0.73 N ATOM 441 CA GLY A 33 11.090 19.273 8.846 1.00 0.71 C ATOM 442 C GLY A 33 10.273 19.252 7.604 1.00 0.67 C ATOM 443 O GLY A 33 10.172 20.272 6.950 1.00 0.65 O ATOM 0 H GLY A 33 11.557 21.143 9.549 1.00 0.73 H new ATOM 0 HA2 GLY A 33 12.148 19.230 8.589 1.00 0.71 H new ATOM 0 HA3 GLY A 33 10.871 18.388 9.443 1.00 0.71 H new ATOM 447 N CYS A 34 9.623 18.142 7.291 1.00 0.70 N ATOM 448 CA CYS A 34 8.794 18.101 6.107 1.00 0.69 C ATOM 449 C CYS A 34 7.518 17.397 6.361 1.00 0.65 C ATOM 450 O CYS A 34 7.526 16.183 6.564 1.00 0.62 O ATOM 451 CB CYS A 34 9.496 17.381 4.974 1.00 0.73 C ATOM 452 SG CYS A 34 8.935 17.908 3.339 1.00 1.08 S ATOM 0 H CYS A 34 9.654 17.277 7.830 1.00 0.70 H new ATOM 0 HA CYS A 34 8.598 19.138 5.834 1.00 0.69 H new ATOM 0 HB2 CYS A 34 10.570 17.550 5.055 1.00 0.73 H new ATOM 0 HB3 CYS A 34 9.334 16.308 5.078 1.00 0.73 H new ATOM 457 N PHE A 35 6.387 18.080 6.216 1.00 0.68 N ATOM 458 CA PHE A 35 5.156 17.382 6.333 1.00 0.67 C ATOM 459 C PHE A 35 4.878 16.986 4.911 1.00 0.64 C ATOM 460 O PHE A 35 4.565 17.842 4.079 1.00 0.63 O ATOM 461 CB PHE A 35 3.999 18.260 6.872 1.00 0.69 C ATOM 462 CG PHE A 35 4.404 19.562 7.509 1.00 0.73 C ATOM 463 CD1 PHE A 35 4.955 20.568 6.751 1.00 0.98 C ATOM 464 CD2 PHE A 35 4.236 19.771 8.869 1.00 1.16 C ATOM 465 CE1 PHE A 35 5.338 21.763 7.322 1.00 1.21 C ATOM 466 CE2 PHE A 35 4.615 20.964 9.451 1.00 1.38 C ATOM 467 CZ PHE A 35 5.169 21.962 8.675 1.00 1.26 C ATOM 0 H PHE A 35 6.317 19.079 6.025 1.00 0.68 H new ATOM 0 HA PHE A 35 5.224 16.556 7.041 1.00 0.67 H new ATOM 0 HB2 PHE A 35 3.319 18.477 6.048 1.00 0.69 H new ATOM 0 HB3 PHE A 35 3.438 17.679 7.604 1.00 0.69 H new ATOM 0 HD1 PHE A 35 5.090 20.420 5.690 1.00 0.98 H new ATOM 0 HD2 PHE A 35 3.804 18.992 9.480 1.00 1.16 H new ATOM 0 HE1 PHE A 35 5.770 22.541 6.710 1.00 1.21 H new ATOM 0 HE2 PHE A 35 4.478 21.116 10.511 1.00 1.38 H new ATOM 0 HZ PHE A 35 5.469 22.896 9.127 1.00 1.26 H new ATOM 477 N VAL A 36 5.028 15.728 4.597 1.00 0.67 N ATOM 478 CA VAL A 36 4.826 15.321 3.244 1.00 0.68 C ATOM 479 C VAL A 36 3.397 14.870 3.042 1.00 0.71 C ATOM 480 O VAL A 36 3.036 13.701 3.203 1.00 0.74 O ATOM 481 CB VAL A 36 5.865 14.276 2.782 1.00 0.74 C ATOM 482 CG1 VAL A 36 6.018 14.337 1.267 1.00 0.75 C ATOM 483 CG2 VAL A 36 7.219 14.539 3.452 1.00 0.76 C ATOM 0 H VAL A 36 5.284 14.985 5.248 1.00 0.67 H new ATOM 0 HA VAL A 36 4.990 16.184 2.599 1.00 0.68 H new ATOM 0 HB VAL A 36 5.518 13.284 3.070 1.00 0.74 H new ATOM 0 HG11 VAL A 36 6.752 13.598 0.945 1.00 0.75 H new ATOM 0 HG12 VAL A 36 5.059 14.124 0.796 1.00 0.75 H new ATOM 0 HG13 VAL A 36 6.353 15.332 0.975 1.00 0.75 H new ATOM 0 HG21 VAL A 36 7.941 13.795 3.117 1.00 0.76 H new ATOM 0 HG22 VAL A 36 7.572 15.534 3.182 1.00 0.76 H new ATOM 0 HG23 VAL A 36 7.108 14.475 4.534 1.00 0.76 H new ATOM 493 N GLY A 37 2.591 15.855 2.683 1.00 0.71 N ATOM 494 CA GLY A 37 1.179 15.614 2.412 1.00 0.76 C ATOM 495 C GLY A 37 0.211 16.029 3.505 1.00 0.72 C ATOM 496 O GLY A 37 -0.937 15.588 3.500 1.00 0.81 O ATOM 0 H GLY A 37 2.886 16.825 2.572 1.00 0.71 H new ATOM 0 HA2 GLY A 37 0.910 16.141 1.497 1.00 0.76 H new ATOM 0 HA3 GLY A 37 1.043 14.550 2.219 1.00 0.76 H new ATOM 500 N THR A 38 0.631 16.868 4.433 1.00 0.68 N ATOM 501 CA THR A 38 -0.276 17.310 5.484 1.00 0.68 C ATOM 502 C THR A 38 -0.888 18.632 5.082 1.00 0.72 C ATOM 503 O THR A 38 -0.446 19.228 4.100 1.00 0.77 O ATOM 504 CB THR A 38 0.469 17.461 6.811 1.00 0.72 C ATOM 505 OG1 THR A 38 1.333 18.589 6.793 1.00 0.77 O ATOM 506 CG2 THR A 38 1.295 16.242 7.162 1.00 0.76 C ATOM 0 H THR A 38 1.574 17.253 4.485 1.00 0.68 H new ATOM 0 HA THR A 38 -1.060 16.565 5.617 1.00 0.68 H new ATOM 0 HB THR A 38 -0.307 17.589 7.566 1.00 0.72 H new ATOM 0 HG1 THR A 38 1.545 18.854 7.713 1.00 0.77 H new ATOM 0 HG21 THR A 38 1.801 16.407 8.113 1.00 0.76 H new ATOM 0 HG22 THR A 38 0.643 15.372 7.243 1.00 0.76 H new ATOM 0 HG23 THR A 38 2.036 16.068 6.382 1.00 0.76 H new ATOM 514 N ALA A 39 -1.959 19.081 5.730 1.00 0.77 N ATOM 515 CA ALA A 39 -2.595 20.325 5.327 1.00 0.86 C ATOM 516 C ALA A 39 -1.609 21.467 5.165 1.00 0.82 C ATOM 517 O ALA A 39 -1.816 22.346 4.331 1.00 0.86 O ATOM 518 CB ALA A 39 -3.654 20.715 6.352 1.00 1.02 C ATOM 0 H ALA A 39 -2.396 18.610 6.522 1.00 0.77 H new ATOM 0 HA ALA A 39 -3.049 20.148 4.352 1.00 0.86 H new ATOM 0 HB1 ALA A 39 -4.129 21.648 6.048 1.00 1.02 H new ATOM 0 HB2 ALA A 39 -4.406 19.929 6.415 1.00 1.02 H new ATOM 0 HB3 ALA A 39 -3.185 20.848 7.327 1.00 1.02 H new ATOM 524 N GLU A 40 -0.519 21.445 5.923 1.00 0.78 N ATOM 525 CA GLU A 40 0.481 22.489 5.818 1.00 0.79 C ATOM 526 C GLU A 40 1.088 22.493 4.426 1.00 0.74 C ATOM 527 O GLU A 40 1.703 23.478 4.011 1.00 0.79 O ATOM 528 CB GLU A 40 1.555 22.306 6.891 1.00 0.82 C ATOM 529 CG GLU A 40 1.028 22.505 8.305 1.00 1.25 C ATOM 530 CD GLU A 40 0.425 21.244 8.889 1.00 1.55 C ATOM 531 OE1 GLU A 40 -0.754 20.955 8.596 1.00 1.91 O ATOM 532 OE2 GLU A 40 1.133 20.543 9.643 1.00 2.32 O ATOM 0 H GLU A 40 -0.310 20.720 6.610 1.00 0.78 H new ATOM 0 HA GLU A 40 0.005 23.456 5.983 1.00 0.79 H new ATOM 0 HB2 GLU A 40 1.979 21.305 6.805 1.00 0.82 H new ATOM 0 HB3 GLU A 40 2.365 23.012 6.709 1.00 0.82 H new ATOM 0 HG2 GLU A 40 1.841 22.844 8.947 1.00 1.25 H new ATOM 0 HG3 GLU A 40 0.276 23.294 8.300 1.00 1.25 H new ATOM 539 N ALA A 41 0.969 21.372 3.713 1.00 0.70 N ATOM 540 CA ALA A 41 1.524 21.246 2.403 1.00 0.71 C ATOM 541 C ALA A 41 0.476 21.538 1.355 1.00 0.78 C ATOM 542 O ALA A 41 0.827 21.918 0.247 1.00 0.87 O ATOM 543 CB ALA A 41 2.100 19.846 2.208 1.00 0.77 C ATOM 0 H ALA A 41 0.483 20.539 4.044 1.00 0.70 H new ATOM 0 HA ALA A 41 2.329 21.972 2.294 1.00 0.71 H new ATOM 0 HB1 ALA A 41 2.520 19.762 1.206 1.00 0.77 H new ATOM 0 HB2 ALA A 41 2.883 19.669 2.946 1.00 0.77 H new ATOM 0 HB3 ALA A 41 1.309 19.106 2.333 1.00 0.77 H new ATOM 549 N LEU A 42 -0.828 21.384 1.652 1.00 0.81 N ATOM 550 CA LEU A 42 -1.841 21.679 0.655 1.00 0.94 C ATOM 551 C LEU A 42 -1.702 23.118 0.178 1.00 1.05 C ATOM 552 O LEU A 42 -2.022 23.433 -0.967 1.00 1.23 O ATOM 553 CB LEU A 42 -3.235 21.432 1.254 1.00 0.98 C ATOM 554 CG LEU A 42 -3.723 19.980 1.180 1.00 1.02 C ATOM 555 CD1 LEU A 42 -4.508 19.600 2.429 1.00 1.11 C ATOM 556 CD2 LEU A 42 -4.570 19.771 -0.065 1.00 1.16 C ATOM 0 H LEU A 42 -1.186 21.065 2.552 1.00 0.81 H new ATOM 0 HA LEU A 42 -1.708 21.023 -0.206 1.00 0.94 H new ATOM 0 HB2 LEU A 42 -3.226 21.744 2.298 1.00 0.98 H new ATOM 0 HB3 LEU A 42 -3.954 22.068 0.738 1.00 0.98 H new ATOM 0 HG LEU A 42 -2.849 19.331 1.123 1.00 1.02 H new ATOM 0 HD11 LEU A 42 -4.841 18.565 2.348 1.00 1.11 H new ATOM 0 HD12 LEU A 42 -3.871 19.709 3.306 1.00 1.11 H new ATOM 0 HD13 LEU A 42 -5.375 20.254 2.527 1.00 1.11 H new ATOM 0 HD21 LEU A 42 -4.910 18.736 -0.105 1.00 1.16 H new ATOM 0 HD22 LEU A 42 -5.434 20.435 -0.033 1.00 1.16 H new ATOM 0 HD23 LEU A 42 -3.975 19.992 -0.951 1.00 1.16 H new ATOM 568 N ARG A 43 -1.160 23.981 1.048 1.00 1.04 N ATOM 569 CA ARG A 43 -0.911 25.380 0.678 1.00 1.23 C ATOM 570 C ARG A 43 0.362 25.448 -0.193 1.00 1.24 C ATOM 571 O ARG A 43 0.804 26.509 -0.625 1.00 1.46 O ATOM 572 CB ARG A 43 -0.788 26.277 1.914 1.00 1.32 C ATOM 573 CG ARG A 43 -0.072 25.631 3.086 1.00 1.34 C ATOM 574 CD ARG A 43 -1.058 25.120 4.127 1.00 1.50 C ATOM 575 NE ARG A 43 -1.134 25.998 5.293 1.00 1.88 N ATOM 576 CZ ARG A 43 -1.945 25.787 6.328 1.00 2.20 C ATOM 577 NH1 ARG A 43 -2.738 24.722 6.354 1.00 2.39 N ATOM 578 NH2 ARG A 43 -1.962 26.641 7.343 1.00 2.92 N ATOM 0 H ARG A 43 -0.889 23.739 2.001 1.00 1.04 H new ATOM 0 HA ARG A 43 -1.761 25.754 0.106 1.00 1.23 H new ATOM 0 HB2 ARG A 43 -0.257 27.188 1.636 1.00 1.32 H new ATOM 0 HB3 ARG A 43 -1.787 26.575 2.233 1.00 1.32 H new ATOM 0 HG2 ARG A 43 0.542 24.805 2.728 1.00 1.34 H new ATOM 0 HG3 ARG A 43 0.602 26.354 3.545 1.00 1.34 H new ATOM 0 HD2 ARG A 43 -2.046 25.031 3.676 1.00 1.50 H new ATOM 0 HD3 ARG A 43 -0.762 24.120 4.446 1.00 1.50 H new ATOM 0 HE ARG A 43 -0.531 26.820 5.315 1.00 1.88 H new ATOM 0 HH11 ARG A 43 -2.728 24.060 5.578 1.00 2.39 H new ATOM 0 HH12 ARG A 43 -3.357 24.566 7.150 1.00 2.39 H new ATOM 0 HH21 ARG A 43 -1.354 27.460 7.331 1.00 2.92 H new ATOM 0 HH22 ARG A 43 -2.583 26.479 8.135 1.00 2.92 H new ATOM 592 N CYS A 44 0.800 24.254 -0.556 1.00 1.08 N ATOM 593 CA CYS A 44 1.895 24.123 -1.514 1.00 1.15 C ATOM 594 C CYS A 44 1.312 24.230 -2.924 1.00 1.41 C ATOM 595 O CYS A 44 2.038 24.117 -3.920 1.00 1.57 O ATOM 596 CB CYS A 44 2.722 22.837 -1.374 1.00 1.04 C ATOM 597 SG CYS A 44 4.101 22.878 -0.154 1.00 1.28 S ATOM 0 H CYS A 44 0.424 23.371 -0.210 1.00 1.08 H new ATOM 0 HA CYS A 44 2.599 24.929 -1.306 1.00 1.15 H new ATOM 0 HB2 CYS A 44 2.048 22.026 -1.100 1.00 1.04 H new ATOM 0 HB3 CYS A 44 3.138 22.590 -2.351 1.00 1.04 H new ATOM 602 N GLN A 45 -0.010 24.475 -3.042 1.00 1.55 N ATOM 603 CA GLN A 45 -0.648 24.597 -4.339 1.00 1.86 C ATOM 604 C GLN A 45 -0.561 26.022 -4.856 1.00 2.09 C ATOM 605 O GLN A 45 -0.877 26.292 -6.020 1.00 2.35 O ATOM 606 CB GLN A 45 -2.126 24.202 -4.206 1.00 1.97 C ATOM 607 CG GLN A 45 -2.833 24.003 -5.533 1.00 2.40 C ATOM 608 CD GLN A 45 -2.619 22.615 -6.096 1.00 2.73 C ATOM 609 OE1 GLN A 45 -3.140 21.632 -5.568 1.00 3.31 O ATOM 610 NE2 GLN A 45 -1.848 22.527 -7.172 1.00 3.02 N ATOM 0 H GLN A 45 -0.641 24.589 -2.249 1.00 1.55 H new ATOM 0 HA GLN A 45 -0.136 23.941 -5.043 1.00 1.86 H new ATOM 0 HB2 GLN A 45 -2.195 23.281 -3.628 1.00 1.97 H new ATOM 0 HB3 GLN A 45 -2.648 24.973 -3.640 1.00 1.97 H new ATOM 0 HG2 GLN A 45 -3.901 24.179 -5.403 1.00 2.40 H new ATOM 0 HG3 GLN A 45 -2.473 24.742 -6.248 1.00 2.40 H new ATOM 0 HE21 GLN A 45 -1.437 23.369 -7.575 1.00 3.02 H new ATOM 0 HE22 GLN A 45 -1.666 21.617 -7.596 1.00 3.02 H new ATOM 619 N GLU A 46 -0.099 26.940 -4.018 1.00 2.07 N ATOM 620 CA GLU A 46 0.021 28.307 -4.470 1.00 2.35 C ATOM 621 C GLU A 46 1.361 28.477 -5.159 1.00 2.34 C ATOM 622 O GLU A 46 1.709 29.574 -5.603 1.00 2.50 O ATOM 623 CB GLU A 46 -0.123 29.292 -3.310 1.00 2.41 C ATOM 624 CG GLU A 46 -1.546 29.391 -2.778 1.00 2.80 C ATOM 625 CD GLU A 46 -1.595 29.643 -1.284 1.00 3.19 C ATOM 626 OE1 GLU A 46 -1.503 30.820 -0.877 1.00 3.53 O ATOM 627 OE2 GLU A 46 -1.725 28.662 -0.521 1.00 3.69 O ATOM 0 H GLU A 46 0.189 26.767 -3.055 1.00 2.07 H new ATOM 0 HA GLU A 46 -0.784 28.523 -5.173 1.00 2.35 H new ATOM 0 HB2 GLU A 46 0.540 28.988 -2.500 1.00 2.41 H new ATOM 0 HB3 GLU A 46 0.205 30.279 -3.637 1.00 2.41 H new ATOM 0 HG2 GLU A 46 -2.068 30.196 -3.296 1.00 2.80 H new ATOM 0 HG3 GLU A 46 -2.079 28.468 -3.004 1.00 2.80 H new ATOM 634 N GLU A 47 2.089 27.362 -5.312 1.00 2.22 N ATOM 635 CA GLU A 47 3.355 27.398 -6.007 1.00 2.31 C ATOM 636 C GLU A 47 3.117 27.408 -7.512 1.00 2.34 C ATOM 637 O GLU A 47 4.064 27.393 -8.299 1.00 2.42 O ATOM 638 CB GLU A 47 4.216 26.198 -5.618 1.00 2.37 C ATOM 639 CG GLU A 47 5.683 26.367 -5.972 1.00 2.96 C ATOM 640 CD GLU A 47 6.380 27.384 -5.090 1.00 3.45 C ATOM 641 OE1 GLU A 47 6.453 27.154 -3.865 1.00 3.99 O ATOM 642 OE2 GLU A 47 6.849 28.411 -5.623 1.00 3.68 O ATOM 0 H GLU A 47 1.816 26.443 -4.964 1.00 2.22 H new ATOM 0 HA GLU A 47 3.885 28.307 -5.722 1.00 2.31 H new ATOM 0 HB2 GLU A 47 4.126 26.029 -4.545 1.00 2.37 H new ATOM 0 HB3 GLU A 47 3.830 25.308 -6.115 1.00 2.37 H new ATOM 0 HG2 GLU A 47 6.188 25.405 -5.881 1.00 2.96 H new ATOM 0 HG3 GLU A 47 5.769 26.675 -7.014 1.00 2.96 H new ATOM 769 N SER A 56 16.514 25.766 -3.557 1.00 2.28 N ATOM 770 CA SER A 56 16.264 24.498 -2.881 1.00 2.07 C ATOM 771 C SER A 56 17.483 24.131 -2.034 1.00 1.82 C ATOM 772 O SER A 56 18.476 24.858 -2.040 1.00 2.22 O ATOM 773 CB SER A 56 16.035 23.395 -3.926 1.00 2.60 C ATOM 774 OG SER A 56 15.295 22.314 -3.387 1.00 3.12 O ATOM 0 HA SER A 56 15.383 24.593 -2.247 1.00 2.07 H new ATOM 0 HB2 SER A 56 15.504 23.809 -4.783 1.00 2.60 H new ATOM 0 HB3 SER A 56 16.996 23.033 -4.291 1.00 2.60 H new ATOM 0 HG SER A 56 15.165 21.630 -4.077 1.00 3.12 H new ATOM 780 N GLY A 57 17.378 23.074 -1.230 1.00 1.58 N ATOM 781 CA GLY A 57 18.468 22.706 -0.375 1.00 1.86 C ATOM 782 C GLY A 57 19.538 22.017 -1.172 1.00 1.68 C ATOM 783 O GLY A 57 19.234 21.294 -2.122 1.00 2.10 O ATOM 0 H GLY A 57 16.555 22.475 -1.164 1.00 1.58 H new ATOM 0 HA2 GLY A 57 18.878 23.593 0.108 1.00 1.86 H new ATOM 0 HA3 GLY A 57 18.113 22.047 0.417 1.00 1.86 H new ATOM 787 N GLN A 58 20.785 22.199 -0.795 1.00 1.37 N ATOM 788 CA GLN A 58 21.847 21.536 -1.510 1.00 1.46 C ATOM 789 C GLN A 58 22.491 20.528 -0.600 1.00 1.08 C ATOM 790 O GLN A 58 23.635 20.669 -0.173 1.00 1.00 O ATOM 791 CB GLN A 58 22.882 22.549 -1.982 1.00 1.97 C ATOM 792 CG GLN A 58 23.299 23.523 -0.895 1.00 2.80 C ATOM 793 CD GLN A 58 22.557 24.841 -0.977 1.00 3.61 C ATOM 794 OE1 GLN A 58 22.734 25.606 -1.925 1.00 3.96 O ATOM 795 NE2 GLN A 58 21.720 25.113 0.019 1.00 4.36 N ATOM 0 H GLN A 58 21.082 22.787 -0.016 1.00 1.37 H new ATOM 0 HA GLN A 58 21.436 21.033 -2.386 1.00 1.46 H new ATOM 0 HB2 GLN A 58 23.763 22.018 -2.344 1.00 1.97 H new ATOM 0 HB3 GLN A 58 22.477 23.107 -2.826 1.00 1.97 H new ATOM 0 HG2 GLN A 58 23.121 23.071 0.081 1.00 2.80 H new ATOM 0 HG3 GLN A 58 24.370 23.708 -0.970 1.00 2.80 H new ATOM 0 HE21 GLN A 58 21.605 24.449 0.784 1.00 4.36 H new ATOM 0 HE22 GLN A 58 21.192 25.986 0.018 1.00 4.36 H new ATOM 804 N LYS A 59 21.769 19.460 -0.404 1.00 1.17 N ATOM 805 CA LYS A 59 22.244 18.357 0.425 1.00 1.13 C ATOM 806 C LYS A 59 21.739 17.091 -0.214 1.00 0.95 C ATOM 807 O LYS A 59 20.979 16.327 0.365 1.00 0.88 O ATOM 808 CB LYS A 59 21.689 18.466 1.859 1.00 1.54 C ATOM 809 CG LYS A 59 22.378 19.513 2.718 1.00 1.90 C ATOM 810 CD LYS A 59 23.780 19.077 3.115 1.00 2.17 C ATOM 811 CE LYS A 59 24.001 19.202 4.614 1.00 2.82 C ATOM 812 NZ LYS A 59 23.560 17.983 5.346 1.00 3.55 N ATOM 0 H LYS A 59 20.842 19.318 -0.804 1.00 1.17 H new ATOM 0 HA LYS A 59 23.332 18.372 0.491 1.00 1.13 H new ATOM 0 HB2 LYS A 59 20.625 18.698 1.808 1.00 1.54 H new ATOM 0 HB3 LYS A 59 21.781 17.495 2.346 1.00 1.54 H new ATOM 0 HG2 LYS A 59 22.430 20.455 2.172 1.00 1.90 H new ATOM 0 HG3 LYS A 59 21.786 19.696 3.615 1.00 1.90 H new ATOM 0 HD2 LYS A 59 23.941 18.044 2.808 1.00 2.17 H new ATOM 0 HD3 LYS A 59 24.514 19.685 2.586 1.00 2.17 H new ATOM 0 HE2 LYS A 59 25.058 19.381 4.811 1.00 2.82 H new ATOM 0 HE3 LYS A 59 23.456 20.068 4.990 1.00 2.82 H new ATOM 0 HZ1 LYS A 59 24.082 17.909 6.243 1.00 3.55 H new ATOM 0 HZ2 LYS A 59 22.541 18.046 5.542 1.00 3.55 H new ATOM 0 HZ3 LYS A 59 23.749 17.142 4.765 1.00 3.55 H new ATOM 826 N PRO A 60 22.127 16.897 -1.488 1.00 1.06 N ATOM 827 CA PRO A 60 21.684 15.761 -2.271 1.00 1.15 C ATOM 828 C PRO A 60 22.037 14.399 -1.688 1.00 1.10 C ATOM 829 O PRO A 60 22.958 13.721 -2.137 1.00 1.23 O ATOM 830 CB PRO A 60 22.338 15.949 -3.636 1.00 1.48 C ATOM 831 CG PRO A 60 23.439 16.926 -3.408 1.00 1.54 C ATOM 832 CD PRO A 60 22.971 17.805 -2.286 1.00 1.30 C ATOM 0 HA PRO A 60 20.595 15.746 -2.303 1.00 1.15 H new ATOM 0 HB2 PRO A 60 22.722 15.005 -4.022 1.00 1.48 H new ATOM 0 HB3 PRO A 60 21.623 16.325 -4.367 1.00 1.48 H new ATOM 0 HG2 PRO A 60 24.367 16.417 -3.147 1.00 1.54 H new ATOM 0 HG3 PRO A 60 23.638 17.510 -4.307 1.00 1.54 H new ATOM 0 HD2 PRO A 60 23.805 18.197 -1.704 1.00 1.30 H new ATOM 0 HD3 PRO A 60 22.407 18.663 -2.653 1.00 1.30 H new ATOM 840 N CYS A 61 21.226 13.993 -0.730 1.00 1.08 N ATOM 841 CA CYS A 61 21.331 12.684 -0.108 1.00 1.13 C ATOM 842 C CYS A 61 20.278 11.808 -0.768 1.00 1.36 C ATOM 843 O CYS A 61 19.566 12.275 -1.656 1.00 1.54 O ATOM 844 CB CYS A 61 21.105 12.743 1.410 1.00 1.30 C ATOM 845 SG CYS A 61 20.081 14.138 1.980 1.00 1.59 S ATOM 0 H CYS A 61 20.469 14.566 -0.357 1.00 1.08 H new ATOM 0 HA CYS A 61 22.335 12.284 -0.247 1.00 1.13 H new ATOM 0 HB2 CYS A 61 20.635 11.813 1.729 1.00 1.30 H new ATOM 0 HB3 CYS A 61 22.075 12.797 1.905 1.00 1.30 H new ATOM 850 N GLY A 62 20.144 10.561 -0.360 1.00 1.60 N ATOM 851 CA GLY A 62 19.126 9.746 -0.984 1.00 1.92 C ATOM 852 C GLY A 62 19.470 9.392 -2.410 1.00 2.10 C ATOM 853 O GLY A 62 20.621 9.520 -2.831 1.00 2.43 O ATOM 0 H GLY A 62 20.699 10.108 0.366 1.00 1.60 H new ATOM 0 HA2 GLY A 62 18.992 8.831 -0.407 1.00 1.92 H new ATOM 0 HA3 GLY A 62 18.175 10.278 -0.963 1.00 1.92 H new ATOM 857 N SER A 63 18.489 8.887 -3.136 1.00 2.43 N ATOM 858 CA SER A 63 18.711 8.437 -4.525 1.00 2.98 C ATOM 859 C SER A 63 18.569 9.580 -5.503 1.00 2.74 C ATOM 860 O SER A 63 17.985 9.446 -6.578 1.00 3.32 O ATOM 861 CB SER A 63 17.725 7.323 -4.895 1.00 3.86 C ATOM 862 OG SER A 63 18.230 6.048 -4.540 1.00 4.11 O ATOM 0 H SER A 63 17.532 8.773 -2.802 1.00 2.43 H new ATOM 0 HA SER A 63 19.729 8.053 -4.585 1.00 2.98 H new ATOM 0 HB2 SER A 63 16.774 7.493 -4.389 1.00 3.86 H new ATOM 0 HB3 SER A 63 17.526 7.352 -5.966 1.00 3.86 H new ATOM 0 HG SER A 63 17.579 5.358 -4.786 1.00 4.11 H new ATOM 868 N GLY A 64 19.094 10.747 -5.078 1.00 2.15 N ATOM 869 CA GLY A 64 19.021 11.966 -5.857 1.00 2.11 C ATOM 870 C GLY A 64 18.284 13.127 -5.158 1.00 1.92 C ATOM 871 O GLY A 64 18.009 14.135 -5.814 1.00 2.21 O ATOM 0 H GLY A 64 19.576 10.854 -4.185 1.00 2.15 H new ATOM 0 HA2 GLY A 64 20.033 12.289 -6.100 1.00 2.11 H new ATOM 0 HA3 GLY A 64 18.520 11.750 -6.801 1.00 2.11 H new ATOM 875 N GLY A 65 17.956 13.023 -3.867 1.00 1.62 N ATOM 876 CA GLY A 65 17.240 14.127 -3.227 1.00 1.62 C ATOM 877 C GLY A 65 18.094 15.009 -2.327 1.00 1.43 C ATOM 878 O GLY A 65 19.066 14.550 -1.739 1.00 1.62 O ATOM 0 H GLY A 65 18.163 12.224 -3.268 1.00 1.62 H new ATOM 0 HA2 GLY A 65 16.793 14.749 -4.003 1.00 1.62 H new ATOM 0 HA3 GLY A 65 16.421 13.716 -2.637 1.00 1.62 H new ATOM 882 N ARG A 66 17.707 16.286 -2.213 1.00 1.17 N ATOM 883 CA ARG A 66 18.417 17.243 -1.360 1.00 1.03 C ATOM 884 C ARG A 66 17.698 17.423 -0.017 1.00 0.94 C ATOM 885 O ARG A 66 16.484 17.235 0.071 1.00 1.04 O ATOM 886 CB ARG A 66 18.626 18.599 -2.050 1.00 1.10 C ATOM 887 CG ARG A 66 17.531 18.983 -3.033 1.00 1.26 C ATOM 888 CD ARG A 66 17.771 18.388 -4.412 1.00 1.41 C ATOM 889 NE ARG A 66 19.136 18.611 -4.887 1.00 1.78 N ATOM 890 CZ ARG A 66 19.534 19.714 -5.518 1.00 2.30 C ATOM 891 NH1 ARG A 66 18.691 20.722 -5.710 1.00 2.55 N ATOM 892 NH2 ARG A 66 20.783 19.814 -5.952 1.00 3.02 N ATOM 0 H ARG A 66 16.904 16.679 -2.703 1.00 1.17 H new ATOM 0 HA ARG A 66 19.405 16.823 -1.172 1.00 1.03 H new ATOM 0 HB2 ARG A 66 18.699 19.373 -1.286 1.00 1.10 H new ATOM 0 HB3 ARG A 66 19.580 18.581 -2.577 1.00 1.10 H new ATOM 0 HG2 ARG A 66 16.567 18.643 -2.654 1.00 1.26 H new ATOM 0 HG3 ARG A 66 17.478 20.069 -3.111 1.00 1.26 H new ATOM 0 HD2 ARG A 66 17.570 17.317 -4.382 1.00 1.41 H new ATOM 0 HD3 ARG A 66 17.067 18.825 -5.120 1.00 1.41 H new ATOM 0 HE ARG A 66 19.825 17.877 -4.725 1.00 1.78 H new ATOM 0 HH11 ARG A 66 17.731 20.655 -5.373 1.00 2.55 H new ATOM 0 HH12 ARG A 66 19.004 21.563 -6.194 1.00 2.55 H new ATOM 0 HH21 ARG A 66 21.438 19.046 -5.802 1.00 3.02 H new ATOM 0 HH22 ARG A 66 21.089 20.658 -6.435 1.00 3.02 H new ATOM 906 N CYS A 67 18.452 17.776 1.033 1.00 0.87 N ATOM 907 CA CYS A 67 17.897 17.960 2.353 1.00 0.87 C ATOM 908 C CYS A 67 16.979 19.162 2.409 1.00 0.88 C ATOM 909 O CYS A 67 17.397 20.290 2.162 1.00 0.93 O ATOM 910 CB CYS A 67 19.016 18.120 3.385 1.00 0.93 C ATOM 911 SG CYS A 67 18.445 18.154 5.114 1.00 1.52 S ATOM 0 H CYS A 67 19.458 17.938 0.977 1.00 0.87 H new ATOM 0 HA CYS A 67 17.311 17.071 2.587 1.00 0.87 H new ATOM 0 HB2 CYS A 67 19.724 17.300 3.265 1.00 0.93 H new ATOM 0 HB3 CYS A 67 19.558 19.042 3.176 1.00 0.93 H new ATOM 916 N ALA A 68 15.745 18.921 2.788 1.00 0.91 N ATOM 917 CA ALA A 68 14.778 19.996 2.932 1.00 0.98 C ATOM 918 C ALA A 68 14.674 20.374 4.396 1.00 0.98 C ATOM 919 O ALA A 68 14.205 21.457 4.757 1.00 1.07 O ATOM 920 CB ALA A 68 13.421 19.581 2.395 1.00 0.98 C ATOM 0 H ALA A 68 15.383 17.992 3.003 1.00 0.91 H new ATOM 0 HA ALA A 68 15.113 20.857 2.354 1.00 0.98 H new ATOM 0 HB1 ALA A 68 12.715 20.403 2.515 1.00 0.98 H new ATOM 0 HB2 ALA A 68 13.509 19.329 1.338 1.00 0.98 H new ATOM 0 HB3 ALA A 68 13.062 18.712 2.946 1.00 0.98 H new ATOM 926 N ALA A 69 15.170 19.473 5.228 1.00 0.92 N ATOM 927 CA ALA A 69 15.188 19.673 6.677 1.00 0.96 C ATOM 928 C ALA A 69 16.031 18.595 7.363 1.00 0.92 C ATOM 929 O ALA A 69 16.255 17.525 6.801 1.00 0.87 O ATOM 930 CB ALA A 69 13.781 19.649 7.222 1.00 1.00 C ATOM 0 H ALA A 69 15.571 18.585 4.925 1.00 0.92 H new ATOM 0 HA ALA A 69 15.635 20.646 6.883 1.00 0.96 H new ATOM 0 HB1 ALA A 69 13.806 19.799 8.301 1.00 1.00 H new ATOM 0 HB2 ALA A 69 13.198 20.445 6.759 1.00 1.00 H new ATOM 0 HB3 ALA A 69 13.321 18.686 7.000 1.00 1.00 H new ATOM 936 N ALA A 70 16.463 18.849 8.594 1.00 0.98 N ATOM 937 CA ALA A 70 17.242 17.861 9.335 1.00 1.00 C ATOM 938 C ALA A 70 16.435 16.570 9.560 1.00 1.04 C ATOM 939 O ALA A 70 15.241 16.616 9.856 1.00 1.24 O ATOM 940 CB ALA A 70 17.708 18.435 10.666 1.00 1.15 C ATOM 0 H ALA A 70 16.290 19.720 9.096 1.00 0.98 H new ATOM 0 HA ALA A 70 18.118 17.611 8.737 1.00 1.00 H new ATOM 0 HB1 ALA A 70 18.287 17.684 11.204 1.00 1.15 H new ATOM 0 HB2 ALA A 70 18.330 19.312 10.486 1.00 1.15 H new ATOM 0 HB3 ALA A 70 16.842 18.721 11.262 1.00 1.15 H new ATOM 946 N GLY A 71 17.107 15.427 9.388 1.00 1.15 N ATOM 947 CA GLY A 71 16.483 14.109 9.551 1.00 1.27 C ATOM 948 C GLY A 71 15.391 13.849 8.540 1.00 1.21 C ATOM 949 O GLY A 71 14.675 12.856 8.647 1.00 1.28 O ATOM 0 H GLY A 71 18.094 15.389 9.133 1.00 1.15 H new ATOM 0 HA2 GLY A 71 17.247 13.337 9.461 1.00 1.27 H new ATOM 0 HA3 GLY A 71 16.068 14.030 10.556 1.00 1.27 H new ATOM 953 N ILE A 72 15.401 14.608 7.452 1.00 1.12 N ATOM 954 CA ILE A 72 14.491 14.356 6.336 1.00 1.08 C ATOM 955 C ILE A 72 15.091 14.790 4.992 1.00 1.03 C ATOM 956 O ILE A 72 15.149 15.995 4.679 1.00 1.36 O ATOM 957 CB ILE A 72 13.120 14.990 6.549 1.00 1.52 C ATOM 958 CG1 ILE A 72 13.239 16.496 6.573 1.00 1.09 C ATOM 959 CG2 ILE A 72 12.472 14.475 7.823 1.00 2.27 C ATOM 960 CD1 ILE A 72 12.596 17.109 5.379 1.00 0.92 C ATOM 0 H ILE A 72 16.027 15.402 7.316 1.00 1.12 H new ATOM 0 HA ILE A 72 14.349 13.276 6.302 1.00 1.08 H new ATOM 0 HB ILE A 72 12.477 14.708 5.715 1.00 1.52 H new ATOM 0 HG12 ILE A 72 12.774 16.885 7.479 1.00 1.09 H new ATOM 0 HG13 ILE A 72 14.291 16.779 6.608 1.00 1.09 H new ATOM 0 HG21 ILE A 72 11.496 14.944 7.950 1.00 2.27 H new ATOM 0 HG22 ILE A 72 12.350 13.394 7.758 1.00 2.27 H new ATOM 0 HG23 ILE A 72 13.105 14.718 8.677 1.00 2.27 H new ATOM 0 HD11 ILE A 72 12.699 18.193 5.427 1.00 0.92 H new ATOM 0 HD12 ILE A 72 13.079 16.738 4.475 1.00 0.92 H new ATOM 0 HD13 ILE A 72 11.538 16.846 5.360 1.00 0.92 H new ATOM 972 N CYS A 73 15.510 13.834 4.189 1.00 0.82 N ATOM 973 CA CYS A 73 16.070 14.140 2.882 1.00 1.07 C ATOM 974 C CYS A 73 15.011 13.979 1.803 1.00 1.08 C ATOM 975 O CYS A 73 14.561 12.868 1.520 1.00 1.21 O ATOM 976 CB CYS A 73 17.266 13.243 2.588 1.00 1.19 C ATOM 977 SG CYS A 73 18.262 13.769 1.162 1.00 1.98 S ATOM 0 H CYS A 73 15.475 12.840 4.414 1.00 0.82 H new ATOM 0 HA CYS A 73 16.409 15.176 2.887 1.00 1.07 H new ATOM 0 HB2 CYS A 73 17.905 13.209 3.470 1.00 1.19 H new ATOM 0 HB3 CYS A 73 16.910 12.228 2.413 1.00 1.19 H new ATOM 982 N CYS A 74 14.597 15.094 1.221 1.00 0.98 N ATOM 983 CA CYS A 74 13.580 15.069 0.188 1.00 0.99 C ATOM 984 C CYS A 74 14.192 14.978 -1.202 1.00 1.15 C ATOM 985 O CYS A 74 15.192 15.627 -1.508 1.00 1.33 O ATOM 986 CB CYS A 74 12.672 16.291 0.300 1.00 1.13 C ATOM 987 SG CYS A 74 11.749 16.380 1.870 1.00 1.32 S ATOM 0 H CYS A 74 14.950 16.024 1.447 1.00 0.98 H new ATOM 0 HA CYS A 74 12.978 14.173 0.339 1.00 0.99 H new ATOM 0 HB2 CYS A 74 13.276 17.192 0.193 1.00 1.13 H new ATOM 0 HB3 CYS A 74 11.963 16.282 -0.528 1.00 1.13 H new ATOM 992 N SER A 75 13.564 14.159 -2.034 1.00 1.14 N ATOM 993 CA SER A 75 13.993 13.941 -3.409 1.00 1.36 C ATOM 994 C SER A 75 12.932 14.503 -4.355 1.00 1.28 C ATOM 995 O SER A 75 11.921 15.028 -3.892 1.00 1.10 O ATOM 996 CB SER A 75 14.213 12.441 -3.640 1.00 1.46 C ATOM 997 OG SER A 75 13.055 11.696 -3.306 1.00 1.99 O ATOM 0 H SER A 75 12.737 13.623 -1.772 1.00 1.14 H new ATOM 0 HA SER A 75 14.935 14.454 -3.603 1.00 1.36 H new ATOM 0 HB2 SER A 75 14.473 12.265 -4.684 1.00 1.46 H new ATOM 0 HB3 SER A 75 15.055 12.098 -3.040 1.00 1.46 H new ATOM 0 HG SER A 75 13.222 10.743 -3.464 1.00 1.99 H new ATOM 1003 N PRO A 76 13.123 14.420 -5.684 1.00 1.46 N ATOM 1004 CA PRO A 76 12.139 14.949 -6.629 1.00 1.42 C ATOM 1005 C PRO A 76 10.923 14.035 -6.760 1.00 1.18 C ATOM 1006 O PRO A 76 10.290 13.965 -7.813 1.00 1.22 O ATOM 1007 CB PRO A 76 12.915 15.020 -7.942 1.00 1.74 C ATOM 1008 CG PRO A 76 13.932 13.938 -7.836 1.00 1.86 C ATOM 1009 CD PRO A 76 14.290 13.833 -6.374 1.00 1.77 C ATOM 0 HA PRO A 76 11.735 15.911 -6.313 1.00 1.42 H new ATOM 0 HB2 PRO A 76 12.259 14.865 -8.799 1.00 1.74 H new ATOM 0 HB3 PRO A 76 13.385 15.995 -8.072 1.00 1.74 H new ATOM 0 HG2 PRO A 76 13.535 12.993 -8.208 1.00 1.86 H new ATOM 0 HG3 PRO A 76 14.812 14.172 -8.436 1.00 1.86 H new ATOM 0 HD2 PRO A 76 14.453 12.797 -6.075 1.00 1.77 H new ATOM 0 HD3 PRO A 76 15.206 14.378 -6.146 1.00 1.77 H new ATOM 1017 N ASP A 77 10.604 13.343 -5.667 1.00 0.99 N ATOM 1018 CA ASP A 77 9.466 12.435 -5.614 1.00 0.91 C ATOM 1019 C ASP A 77 8.828 12.476 -4.222 1.00 0.82 C ATOM 1020 O ASP A 77 7.602 12.495 -4.095 1.00 0.90 O ATOM 1021 CB ASP A 77 9.903 11.010 -5.958 1.00 1.16 C ATOM 1022 CG ASP A 77 10.112 10.819 -7.449 1.00 1.92 C ATOM 1023 OD1 ASP A 77 9.120 10.899 -8.203 1.00 2.65 O ATOM 1024 OD2 ASP A 77 11.269 10.589 -7.861 1.00 2.50 O ATOM 0 H ASP A 77 11.129 13.398 -4.794 1.00 0.99 H new ATOM 0 HA ASP A 77 8.728 12.755 -6.349 1.00 0.91 H new ATOM 0 HB2 ASP A 77 10.828 10.778 -5.430 1.00 1.16 H new ATOM 0 HB3 ASP A 77 9.150 10.306 -5.605 1.00 1.16 H new ATOM 1029 N GLY A 78 9.671 12.503 -3.186 1.00 0.88 N ATOM 1030 CA GLY A 78 9.176 12.556 -1.821 1.00 0.87 C ATOM 1031 C GLY A 78 10.240 12.973 -0.827 1.00 0.86 C ATOM 1032 O GLY A 78 10.995 13.916 -1.062 1.00 0.99 O ATOM 0 H GLY A 78 10.687 12.489 -3.271 1.00 0.88 H new ATOM 0 HA2 GLY A 78 8.342 13.256 -1.769 1.00 0.87 H new ATOM 0 HA3 GLY A 78 8.788 11.576 -1.542 1.00 0.87 H new ATOM 1036 N CYS A 79 10.297 12.257 0.291 1.00 0.79 N ATOM 1037 CA CYS A 79 11.272 12.540 1.337 1.00 0.80 C ATOM 1038 C CYS A 79 11.672 11.253 2.050 1.00 0.78 C ATOM 1039 O CYS A 79 10.941 10.263 2.031 1.00 0.89 O ATOM 1040 CB CYS A 79 10.709 13.553 2.337 1.00 0.94 C ATOM 1041 SG CYS A 79 10.176 15.127 1.583 1.00 1.34 S ATOM 0 H CYS A 79 9.677 11.474 0.496 1.00 0.79 H new ATOM 0 HA CYS A 79 12.160 12.972 0.875 1.00 0.80 H new ATOM 0 HB2 CYS A 79 9.861 13.104 2.854 1.00 0.94 H new ATOM 0 HB3 CYS A 79 11.467 13.762 3.092 1.00 0.94 H new ATOM 1046 N HIS A 80 12.842 11.248 2.675 1.00 0.71 N ATOM 1047 CA HIS A 80 13.296 10.051 3.372 1.00 0.76 C ATOM 1048 C HIS A 80 14.329 10.404 4.422 1.00 0.70 C ATOM 1049 O HIS A 80 15.024 11.409 4.302 1.00 0.67 O ATOM 1050 CB HIS A 80 13.878 9.042 2.377 1.00 0.87 C ATOM 1051 CG HIS A 80 14.542 9.688 1.201 1.00 0.99 C ATOM 1052 ND1 HIS A 80 15.791 10.263 1.269 1.00 1.64 N ATOM 1053 CD2 HIS A 80 14.111 9.878 -0.068 1.00 1.76 C ATOM 1054 CE1 HIS A 80 16.098 10.785 0.097 1.00 2.09 C ATOM 1055 NE2 HIS A 80 15.096 10.563 -0.737 1.00 2.17 N ATOM 0 H HIS A 80 13.482 12.041 2.715 1.00 0.71 H new ATOM 0 HA HIS A 80 12.438 9.599 3.869 1.00 0.76 H new ATOM 0 HB2 HIS A 80 14.601 8.410 2.892 1.00 0.87 H new ATOM 0 HB3 HIS A 80 13.080 8.390 2.022 1.00 0.87 H new ATOM 0 HD1 HIS A 80 16.386 10.282 2.097 1.00 1.64 H new ATOM 0 HD2 HIS A 80 13.167 9.551 -0.479 1.00 1.76 H new ATOM 0 HE1 HIS A 80 17.014 11.306 -0.141 1.00 2.09 H new ATOM 1064 N GLU A 81 14.423 9.584 5.457 1.00 0.75 N ATOM 1065 CA GLU A 81 15.385 9.833 6.513 1.00 0.77 C ATOM 1066 C GLU A 81 16.795 9.763 5.957 1.00 0.72 C ATOM 1067 O GLU A 81 17.098 8.927 5.105 1.00 0.92 O ATOM 1068 CB GLU A 81 15.216 8.825 7.646 1.00 0.94 C ATOM 1069 CG GLU A 81 13.966 9.060 8.472 1.00 1.70 C ATOM 1070 CD GLU A 81 12.839 8.123 8.094 1.00 2.35 C ATOM 1071 OE1 GLU A 81 12.742 7.762 6.903 1.00 3.05 O ATOM 1072 OE2 GLU A 81 12.051 7.752 8.988 1.00 2.71 O ATOM 0 H GLU A 81 13.851 8.750 5.586 1.00 0.75 H new ATOM 0 HA GLU A 81 15.209 10.831 6.913 1.00 0.77 H new ATOM 0 HB2 GLU A 81 15.183 7.819 7.227 1.00 0.94 H new ATOM 0 HB3 GLU A 81 16.088 8.871 8.298 1.00 0.94 H new ATOM 0 HG2 GLU A 81 14.203 8.932 9.528 1.00 1.70 H new ATOM 0 HG3 GLU A 81 13.637 10.091 8.342 1.00 1.70 H new ATOM 1079 N ASP A 82 17.650 10.654 6.428 1.00 0.76 N ATOM 1080 CA ASP A 82 19.031 10.697 5.960 1.00 0.77 C ATOM 1081 C ASP A 82 20.000 10.994 7.115 1.00 0.96 C ATOM 1082 O ASP A 82 19.685 11.778 8.009 1.00 1.21 O ATOM 1083 CB ASP A 82 19.152 11.733 4.847 1.00 0.86 C ATOM 1084 CG ASP A 82 19.247 13.149 5.379 1.00 1.34 C ATOM 1085 OD1 ASP A 82 18.247 13.637 5.949 1.00 2.02 O ATOM 1086 OD2 ASP A 82 20.323 13.765 5.228 1.00 1.82 O ATOM 0 H ASP A 82 17.417 11.356 7.131 1.00 0.76 H new ATOM 0 HA ASP A 82 19.305 9.720 5.563 1.00 0.77 H new ATOM 0 HB2 ASP A 82 20.035 11.514 4.246 1.00 0.86 H new ATOM 0 HB3 ASP A 82 18.289 11.654 4.186 1.00 0.86 H new ATOM 1091 N PRO A 83 21.180 10.332 7.126 1.00 1.15 N ATOM 1092 CA PRO A 83 22.188 10.483 8.192 1.00 1.42 C ATOM 1093 C PRO A 83 22.938 11.816 8.174 1.00 1.28 C ATOM 1094 O PRO A 83 23.399 12.282 9.218 1.00 1.40 O ATOM 1095 CB PRO A 83 23.170 9.330 7.935 1.00 1.81 C ATOM 1096 CG PRO A 83 22.523 8.459 6.910 1.00 1.93 C ATOM 1097 CD PRO A 83 21.613 9.351 6.122 1.00 1.42 C ATOM 0 HA PRO A 83 21.705 10.463 9.169 1.00 1.42 H new ATOM 0 HB2 PRO A 83 24.129 9.706 7.578 1.00 1.81 H new ATOM 0 HB3 PRO A 83 23.367 8.774 8.851 1.00 1.81 H new ATOM 0 HG2 PRO A 83 23.269 7.996 6.265 1.00 1.93 H new ATOM 0 HG3 PRO A 83 21.964 7.651 7.382 1.00 1.93 H new ATOM 0 HD2 PRO A 83 22.132 9.825 5.289 1.00 1.42 H new ATOM 0 HD3 PRO A 83 20.770 8.802 5.702 1.00 1.42 H new ATOM 1105 N ALA A 84 23.062 12.433 7.005 1.00 1.13 N ATOM 1106 CA ALA A 84 23.743 13.714 6.903 1.00 1.17 C ATOM 1107 C ALA A 84 22.912 14.738 7.630 1.00 1.20 C ATOM 1108 O ALA A 84 23.399 15.486 8.478 1.00 1.53 O ATOM 1109 CB ALA A 84 23.958 14.111 5.449 1.00 1.21 C ATOM 0 H ALA A 84 22.703 12.069 6.122 1.00 1.13 H new ATOM 0 HA ALA A 84 24.732 13.647 7.356 1.00 1.17 H new ATOM 0 HB1 ALA A 84 24.469 15.073 5.406 1.00 1.21 H new ATOM 0 HB2 ALA A 84 24.565 13.355 4.951 1.00 1.21 H new ATOM 0 HB3 ALA A 84 22.994 14.190 4.947 1.00 1.21 H new ATOM 1115 N CYS A 85 21.627 14.705 7.328 1.00 1.02 N ATOM 1116 CA CYS A 85 20.670 15.560 7.981 1.00 1.19 C ATOM 1117 C CYS A 85 19.991 14.743 9.059 1.00 1.46 C ATOM 1118 O CYS A 85 18.889 14.262 8.867 1.00 1.88 O ATOM 1119 CB CYS A 85 19.633 16.101 6.991 1.00 1.15 C ATOM 1120 SG CYS A 85 20.100 17.666 6.186 1.00 1.42 S ATOM 0 H CYS A 85 21.225 14.085 6.625 1.00 1.02 H new ATOM 0 HA CYS A 85 21.179 16.423 8.409 1.00 1.19 H new ATOM 0 HB2 CYS A 85 19.458 15.349 6.221 1.00 1.15 H new ATOM 0 HB3 CYS A 85 18.689 16.245 7.516 1.00 1.15 H new ATOM 1125 N ASP A 86 20.679 14.561 10.172 1.00 1.53 N ATOM 1126 CA ASP A 86 20.153 13.778 11.286 1.00 1.90 C ATOM 1127 C ASP A 86 20.913 13.975 12.612 1.00 1.82 C ATOM 1128 O ASP A 86 20.572 13.316 13.595 1.00 2.29 O ATOM 1129 CB ASP A 86 20.217 12.283 10.968 1.00 0.00 C ATOM 1130 CG ASP A 86 19.344 11.453 11.888 1.00 0.00 C ATOM 1131 OD1 ASP A 86 18.729 12.034 12.807 1.00 0.00 O ATOM 1132 OD2 ASP A 86 19.275 10.222 11.691 1.00 0.00 O ATOM 0 H ASP A 86 21.610 14.946 10.333 1.00 1.53 H new ATOM 0 HA ASP A 86 19.131 14.135 11.412 1.00 1.90 H new ATOM 0 HB2 ASP A 86 19.907 12.121 9.936 1.00 0.00 H new ATOM 0 HB3 ASP A 86 21.249 11.942 11.048 1.00 0.00 H new ATOM 1363 N CYS B 110 -2.868 1.252 17.343 1.00 2.52 N ATOM 1364 CA CYS B 110 -2.527 2.139 16.241 1.00 1.89 C ATOM 1365 C CYS B 110 -1.867 3.438 16.712 1.00 1.69 C ATOM 1366 O CYS B 110 -2.504 4.492 16.738 1.00 1.94 O ATOM 1367 CB CYS B 110 -3.722 2.370 15.334 1.00 2.23 C ATOM 1368 SG CYS B 110 -3.538 1.545 13.712 1.00 2.61 S ATOM 0 HA CYS B 110 -1.768 1.637 15.641 1.00 1.89 H new ATOM 0 HB2 CYS B 110 -4.623 2.003 15.825 1.00 2.23 H new ATOM 0 HB3 CYS B 110 -3.856 3.441 15.181 1.00 2.23 H new ATOM 0 HG CYS B 110 -4.590 1.778 12.985 1.00 2.61 H new ATOM 1373 N LEU B 111 -0.591 3.342 17.087 1.00 1.46 N ATOM 1374 CA LEU B 111 0.187 4.490 17.572 1.00 1.37 C ATOM 1375 C LEU B 111 -0.246 5.819 16.943 1.00 1.20 C ATOM 1376 O LEU B 111 -0.094 6.024 15.739 1.00 1.18 O ATOM 1377 CB LEU B 111 1.676 4.267 17.330 1.00 1.54 C ATOM 1378 CG LEU B 111 2.570 4.651 18.508 1.00 1.90 C ATOM 1379 CD1 LEU B 111 2.469 6.143 18.788 1.00 2.47 C ATOM 1380 CD2 LEU B 111 2.188 3.846 19.742 1.00 2.26 C ATOM 0 H LEU B 111 -0.065 2.468 17.064 1.00 1.46 H new ATOM 0 HA LEU B 111 -0.009 4.562 18.642 1.00 1.37 H new ATOM 0 HB2 LEU B 111 1.840 3.216 17.092 1.00 1.54 H new ATOM 0 HB3 LEU B 111 1.980 4.843 16.456 1.00 1.54 H new ATOM 0 HG LEU B 111 3.604 4.421 18.252 1.00 1.90 H new ATOM 0 HD11 LEU B 111 3.112 6.400 19.630 1.00 2.47 H new ATOM 0 HD12 LEU B 111 2.785 6.701 17.907 1.00 2.47 H new ATOM 0 HD13 LEU B 111 1.437 6.399 19.028 1.00 2.47 H new ATOM 0 HD21 LEU B 111 2.832 4.129 20.575 1.00 2.26 H new ATOM 0 HD22 LEU B 111 1.149 4.049 20.002 1.00 2.26 H new ATOM 0 HD23 LEU B 111 2.309 2.783 19.535 1.00 2.26 H new ATOM 1392 N PRO B 112 -0.804 6.725 17.767 1.00 1.19 N ATOM 1393 CA PRO B 112 -1.295 8.038 17.344 1.00 1.12 C ATOM 1394 C PRO B 112 -0.251 9.163 17.425 1.00 1.03 C ATOM 1395 O PRO B 112 0.622 9.152 18.292 1.00 1.06 O ATOM 1396 CB PRO B 112 -2.416 8.280 18.335 1.00 1.30 C ATOM 1397 CG PRO B 112 -1.892 7.712 19.605 1.00 1.47 C ATOM 1398 CD PRO B 112 -1.037 6.530 19.214 1.00 1.37 C ATOM 0 HA PRO B 112 -1.585 8.043 16.293 1.00 1.12 H new ATOM 0 HB2 PRO B 112 -2.641 9.342 18.434 1.00 1.30 H new ATOM 0 HB3 PRO B 112 -3.337 7.787 18.026 1.00 1.30 H new ATOM 0 HG2 PRO B 112 -1.307 8.452 20.151 1.00 1.47 H new ATOM 0 HG3 PRO B 112 -2.707 7.404 20.260 1.00 1.47 H new ATOM 0 HD2 PRO B 112 -0.100 6.512 19.771 1.00 1.37 H new ATOM 0 HD3 PRO B 112 -1.544 5.586 19.414 1.00 1.37 H new ATOM 1406 N CYS B 113 -0.439 10.200 16.594 1.00 0.94 N ATOM 1407 CA CYS B 113 0.398 11.393 16.634 1.00 0.90 C ATOM 1408 C CYS B 113 -0.379 12.587 16.040 1.00 0.91 C ATOM 1409 O CYS B 113 -1.597 12.532 15.867 1.00 1.00 O ATOM 1410 CB CYS B 113 1.708 11.156 15.864 1.00 0.83 C ATOM 1411 SG CYS B 113 1.536 11.140 14.044 1.00 0.87 S ATOM 0 H CYS B 113 -1.171 10.229 15.884 1.00 0.94 H new ATOM 0 HA CYS B 113 0.654 11.618 17.669 1.00 0.90 H new ATOM 0 HB2 CYS B 113 2.421 11.933 16.141 1.00 0.83 H new ATOM 0 HB3 CYS B 113 2.133 10.204 16.183 1.00 0.83 H new ATOM 1416 N GLY B 114 0.366 13.618 15.628 1.00 0.92 N ATOM 1417 CA GLY B 114 -0.224 14.765 14.950 1.00 0.99 C ATOM 1418 C GLY B 114 -1.020 15.708 15.829 1.00 1.11 C ATOM 1419 O GLY B 114 -0.934 15.654 17.056 1.00 1.16 O ATOM 0 H GLY B 114 1.376 13.677 15.754 1.00 0.92 H new ATOM 0 HA2 GLY B 114 0.575 15.331 14.471 1.00 0.99 H new ATOM 0 HA3 GLY B 114 -0.876 14.399 14.157 1.00 0.99 H new ATOM 1423 N PRO B 115 -1.855 16.565 15.202 1.00 1.19 N ATOM 1424 CA PRO B 115 -2.733 17.521 15.891 1.00 1.33 C ATOM 1425 C PRO B 115 -3.740 16.809 16.775 1.00 1.40 C ATOM 1426 O PRO B 115 -4.738 16.254 16.326 1.00 1.57 O ATOM 1427 CB PRO B 115 -3.444 18.217 14.744 1.00 1.46 C ATOM 1428 CG PRO B 115 -3.519 17.099 13.825 1.00 1.39 C ATOM 1429 CD PRO B 115 -2.100 16.643 13.762 1.00 1.21 C ATOM 0 HA PRO B 115 -2.186 18.198 16.548 1.00 1.33 H new ATOM 0 HB2 PRO B 115 -4.425 18.600 15.025 1.00 1.46 H new ATOM 0 HB3 PRO B 115 -2.877 19.057 14.343 1.00 1.46 H new ATOM 0 HG2 PRO B 115 -4.182 16.315 14.191 1.00 1.39 H new ATOM 0 HG3 PRO B 115 -3.893 17.401 12.847 1.00 1.39 H new ATOM 0 HD2 PRO B 115 -1.982 15.684 13.257 1.00 1.21 H new ATOM 0 HD3 PRO B 115 -1.446 17.353 13.256 1.00 1.21 H new ATOM 1437 N GLY B 116 -3.405 16.818 18.013 1.00 1.35 N ATOM 1438 CA GLY B 116 -4.174 16.185 19.051 1.00 1.48 C ATOM 1439 C GLY B 116 -3.825 14.738 19.238 1.00 1.44 C ATOM 1440 O GLY B 116 -4.312 14.095 20.168 1.00 1.70 O ATOM 0 H GLY B 116 -2.562 17.278 18.356 1.00 1.35 H new ATOM 0 HA2 GLY B 116 -4.014 16.716 19.989 1.00 1.48 H new ATOM 0 HA3 GLY B 116 -5.234 16.270 18.813 1.00 1.48 H new ATOM 1444 N GLY B 117 -2.890 14.250 18.449 1.00 1.29 N ATOM 1445 CA GLY B 117 -2.430 12.921 18.615 1.00 1.26 C ATOM 1446 C GLY B 117 -3.349 11.839 18.097 1.00 1.26 C ATOM 1447 O GLY B 117 -3.478 10.791 18.720 1.00 1.38 O ATOM 0 H GLY B 117 -2.445 14.768 17.691 1.00 1.29 H new ATOM 0 HA2 GLY B 117 -1.467 12.824 18.114 1.00 1.26 H new ATOM 0 HA3 GLY B 117 -2.256 12.746 19.677 1.00 1.26 H new ATOM 1451 N LYS B 118 -4.000 12.098 16.989 1.00 1.19 N ATOM 1452 CA LYS B 118 -4.897 11.132 16.396 1.00 1.25 C ATOM 1453 C LYS B 118 -4.211 10.317 15.313 1.00 1.15 C ATOM 1454 O LYS B 118 -4.557 9.168 15.052 1.00 1.25 O ATOM 1455 CB LYS B 118 -6.102 11.859 15.790 1.00 1.30 C ATOM 1456 CG LYS B 118 -6.237 13.304 16.271 1.00 1.36 C ATOM 1457 CD LYS B 118 -6.328 14.313 15.140 1.00 1.78 C ATOM 1458 CE LYS B 118 -5.308 14.077 14.031 1.00 1.95 C ATOM 1459 NZ LYS B 118 -3.917 13.964 14.548 1.00 2.54 N ATOM 0 H LYS B 118 -3.925 12.976 16.475 1.00 1.19 H new ATOM 0 HA LYS B 118 -5.219 10.449 17.182 1.00 1.25 H new ATOM 0 HB2 LYS B 118 -6.014 11.851 14.704 1.00 1.30 H new ATOM 0 HB3 LYS B 118 -7.011 11.313 16.040 1.00 1.30 H new ATOM 0 HG2 LYS B 118 -7.126 13.389 16.896 1.00 1.36 H new ATOM 0 HG3 LYS B 118 -5.381 13.551 16.899 1.00 1.36 H new ATOM 0 HD2 LYS B 118 -7.331 14.280 14.714 1.00 1.78 H new ATOM 0 HD3 LYS B 118 -6.187 15.315 15.545 1.00 1.78 H new ATOM 0 HE2 LYS B 118 -5.567 13.165 13.492 1.00 1.95 H new ATOM 0 HE3 LYS B 118 -5.360 14.896 13.314 1.00 1.95 H new ATOM 0 HZ1 LYS B 118 -3.253 13.906 13.749 1.00 2.54 H new ATOM 0 HZ2 LYS B 118 -3.692 14.799 15.125 1.00 2.54 H new ATOM 0 HZ3 LYS B 118 -3.832 13.107 15.131 1.00 2.54 H new ATOM 1473 N GLY B 119 -3.253 10.955 14.667 1.00 1.04 N ATOM 1474 CA GLY B 119 -2.589 10.347 13.546 1.00 0.97 C ATOM 1475 C GLY B 119 -1.536 9.300 13.841 1.00 0.93 C ATOM 1476 O GLY B 119 -1.137 9.075 14.943 1.00 1.02 O ATOM 0 H GLY B 119 -2.923 11.891 14.904 1.00 1.04 H new ATOM 0 HA2 GLY B 119 -3.349 9.890 12.912 1.00 0.97 H new ATOM 0 HA3 GLY B 119 -2.121 11.139 12.962 1.00 0.97 H new ATOM 1480 N ARG B 120 -1.334 8.522 12.825 1.00 0.87 N ATOM 1481 CA ARG B 120 -0.537 7.317 13.005 1.00 0.87 C ATOM 1482 C ARG B 120 0.907 7.470 12.533 1.00 0.80 C ATOM 1483 O ARG B 120 1.260 8.404 11.813 1.00 0.79 O ATOM 1484 CB ARG B 120 -1.229 6.138 12.357 1.00 0.95 C ATOM 1485 CG ARG B 120 -1.915 5.249 13.377 1.00 1.16 C ATOM 1486 CD ARG B 120 -3.399 5.556 13.470 1.00 1.60 C ATOM 1487 NE ARG B 120 -4.091 5.310 12.208 1.00 1.82 N ATOM 1488 CZ ARG B 120 -4.834 6.216 11.575 1.00 2.25 C ATOM 1489 NH1 ARG B 120 -4.991 7.436 12.079 1.00 2.62 N ATOM 1490 NH2 ARG B 120 -5.426 5.901 10.432 1.00 2.89 N ATOM 0 H ARG B 120 -1.691 8.679 11.883 1.00 0.87 H new ATOM 0 HA ARG B 120 -0.463 7.132 14.077 1.00 0.87 H new ATOM 0 HB2 ARG B 120 -1.965 6.500 11.639 1.00 0.95 H new ATOM 0 HB3 ARG B 120 -0.499 5.552 11.798 1.00 0.95 H new ATOM 0 HG2 ARG B 120 -1.775 4.203 13.103 1.00 1.16 H new ATOM 0 HG3 ARG B 120 -1.451 5.388 14.354 1.00 1.16 H new ATOM 0 HD2 ARG B 120 -3.847 4.945 14.254 1.00 1.60 H new ATOM 0 HD3 ARG B 120 -3.536 6.598 13.761 1.00 1.60 H new ATOM 0 HE ARG B 120 -4.000 4.386 11.785 1.00 1.82 H new ATOM 0 HH11 ARG B 120 -4.540 7.686 12.959 1.00 2.62 H new ATOM 0 HH12 ARG B 120 -5.562 8.122 11.586 1.00 2.62 H new ATOM 0 HH21 ARG B 120 -5.312 4.967 10.039 1.00 2.89 H new ATOM 0 HH22 ARG B 120 -5.996 6.593 9.945 1.00 2.89 H new ATOM 1504 N CYS B 121 1.754 6.566 13.046 1.00 0.82 N ATOM 1505 CA CYS B 121 3.197 6.597 12.789 1.00 0.81 C ATOM 1506 C CYS B 121 3.592 5.507 11.807 1.00 0.85 C ATOM 1507 O CYS B 121 3.172 4.355 11.926 1.00 1.05 O ATOM 1508 CB CYS B 121 3.978 6.358 14.104 1.00 0.91 C ATOM 1509 SG CYS B 121 4.481 7.849 15.044 1.00 1.07 S ATOM 0 H CYS B 121 1.458 5.797 13.648 1.00 0.82 H new ATOM 0 HA CYS B 121 3.438 7.576 12.374 1.00 0.81 H new ATOM 0 HB2 CYS B 121 3.365 5.735 14.756 1.00 0.91 H new ATOM 0 HB3 CYS B 121 4.875 5.786 13.868 1.00 0.91 H new ATOM 1514 N PHE B 122 4.405 5.893 10.834 1.00 0.76 N ATOM 1515 CA PHE B 122 4.882 4.978 9.806 1.00 0.84 C ATOM 1516 C PHE B 122 6.383 5.159 9.603 1.00 0.95 C ATOM 1517 O PHE B 122 6.890 5.065 8.486 1.00 1.44 O ATOM 1518 CB PHE B 122 4.138 5.235 8.492 1.00 0.86 C ATOM 1519 CG PHE B 122 2.679 4.882 8.554 1.00 0.86 C ATOM 1520 CD1 PHE B 122 1.784 5.691 9.237 1.00 1.41 C ATOM 1521 CD2 PHE B 122 2.206 3.732 7.942 1.00 1.42 C ATOM 1522 CE1 PHE B 122 0.443 5.361 9.305 1.00 1.53 C ATOM 1523 CE2 PHE B 122 0.867 3.396 8.010 1.00 1.50 C ATOM 1524 CZ PHE B 122 -0.016 4.211 8.692 1.00 1.15 C ATOM 0 H PHE B 122 4.752 6.847 10.735 1.00 0.76 H new ATOM 0 HA PHE B 122 4.691 3.954 10.125 1.00 0.84 H new ATOM 0 HB2 PHE B 122 4.239 6.287 8.226 1.00 0.86 H new ATOM 0 HB3 PHE B 122 4.610 4.658 7.697 1.00 0.86 H new ATOM 0 HD1 PHE B 122 2.138 6.589 9.721 1.00 1.41 H new ATOM 0 HD2 PHE B 122 2.891 3.092 7.406 1.00 1.42 H new ATOM 0 HE1 PHE B 122 -0.245 6.002 9.837 1.00 1.53 H new ATOM 0 HE2 PHE B 122 0.511 2.496 7.530 1.00 1.50 H new ATOM 0 HZ PHE B 122 -1.063 3.950 8.746 1.00 1.15 H new ATOM 1534 N GLY B 123 7.090 5.424 10.701 1.00 0.84 N ATOM 1535 CA GLY B 123 8.528 5.620 10.640 1.00 0.89 C ATOM 1536 C GLY B 123 9.014 6.660 11.638 1.00 0.89 C ATOM 1537 O GLY B 123 8.211 7.424 12.176 1.00 0.90 O ATOM 0 H GLY B 123 6.689 5.506 11.635 1.00 0.84 H new ATOM 0 HA2 GLY B 123 9.030 4.672 10.834 1.00 0.89 H new ATOM 0 HA3 GLY B 123 8.808 5.928 9.633 1.00 0.89 H new ATOM 1541 N PRO B 124 10.330 6.711 11.910 1.00 1.02 N ATOM 1542 CA PRO B 124 10.909 7.672 12.859 1.00 1.08 C ATOM 1543 C PRO B 124 10.497 9.118 12.564 1.00 0.96 C ATOM 1544 O PRO B 124 9.671 9.685 13.277 1.00 1.02 O ATOM 1545 CB PRO B 124 12.421 7.480 12.689 1.00 1.33 C ATOM 1546 CG PRO B 124 12.572 6.096 12.159 1.00 1.51 C ATOM 1547 CD PRO B 124 11.353 5.831 11.318 1.00 1.26 C ATOM 0 HA PRO B 124 10.562 7.495 13.877 1.00 1.08 H new ATOM 0 HB2 PRO B 124 12.838 8.215 12.000 1.00 1.33 H new ATOM 0 HB3 PRO B 124 12.944 7.599 13.638 1.00 1.33 H new ATOM 0 HG2 PRO B 124 13.482 6.004 11.565 1.00 1.51 H new ATOM 0 HG3 PRO B 124 12.648 5.374 12.972 1.00 1.51 H new ATOM 0 HD2 PRO B 124 11.529 6.069 10.269 1.00 1.26 H new ATOM 0 HD3 PRO B 124 11.055 4.783 11.361 1.00 1.26 H new ATOM 1555 N SER B 125 11.053 9.707 11.502 1.00 0.97 N ATOM 1556 CA SER B 125 10.703 11.078 11.123 1.00 0.92 C ATOM 1557 C SER B 125 9.541 11.046 10.142 1.00 0.76 C ATOM 1558 O SER B 125 9.556 11.729 9.121 1.00 0.78 O ATOM 1559 CB SER B 125 11.905 11.793 10.477 1.00 1.12 C ATOM 1560 OG SER B 125 12.598 12.584 11.427 1.00 1.25 O ATOM 0 H SER B 125 11.741 9.261 10.895 1.00 0.97 H new ATOM 0 HA SER B 125 10.419 11.627 12.021 1.00 0.92 H new ATOM 0 HB2 SER B 125 12.584 11.055 10.049 1.00 1.12 H new ATOM 0 HB3 SER B 125 11.560 12.423 9.657 1.00 1.12 H new ATOM 0 HG SER B 125 13.357 13.026 10.993 1.00 1.25 H new ATOM 1566 N ILE B 126 8.557 10.199 10.421 1.00 0.70 N ATOM 1567 CA ILE B 126 7.440 10.038 9.523 1.00 0.60 C ATOM 1568 C ILE B 126 6.108 9.789 10.237 1.00 0.57 C ATOM 1569 O ILE B 126 5.957 8.806 10.960 1.00 0.74 O ATOM 1570 CB ILE B 126 7.737 8.871 8.579 1.00 0.60 C ATOM 1571 CG1 ILE B 126 9.204 8.906 8.149 1.00 0.79 C ATOM 1572 CG2 ILE B 126 6.819 8.914 7.384 1.00 0.72 C ATOM 1573 CD1 ILE B 126 9.577 7.797 7.184 1.00 0.85 C ATOM 0 H ILE B 126 8.518 9.620 11.260 1.00 0.70 H new ATOM 0 HA ILE B 126 7.326 10.976 8.979 1.00 0.60 H new ATOM 0 HB ILE B 126 7.557 7.934 9.105 1.00 0.60 H new ATOM 0 HG12 ILE B 126 9.415 9.869 7.683 1.00 0.79 H new ATOM 0 HG13 ILE B 126 9.836 8.835 9.034 1.00 0.79 H new ATOM 0 HG21 ILE B 126 7.043 8.077 6.723 1.00 0.72 H new ATOM 0 HG22 ILE B 126 5.784 8.845 7.718 1.00 0.72 H new ATOM 0 HG23 ILE B 126 6.965 9.851 6.846 1.00 0.72 H new ATOM 0 HD11 ILE B 126 10.631 7.883 6.921 1.00 0.85 H new ATOM 0 HD12 ILE B 126 9.398 6.830 7.654 1.00 0.85 H new ATOM 0 HD13 ILE B 126 8.970 7.880 6.282 1.00 0.85 H new ATOM 1585 N CYS B 127 5.134 10.670 10.001 1.00 0.54 N ATOM 1586 CA CYS B 127 3.805 10.524 10.597 1.00 0.53 C ATOM 1587 C CYS B 127 2.713 10.865 9.571 1.00 0.53 C ATOM 1588 O CYS B 127 2.546 12.002 9.173 1.00 0.56 O ATOM 1589 CB CYS B 127 3.649 11.392 11.856 1.00 0.56 C ATOM 1590 SG CYS B 127 3.333 10.449 13.386 1.00 0.89 S ATOM 0 H CYS B 127 5.240 11.490 9.403 1.00 0.54 H new ATOM 0 HA CYS B 127 3.692 9.482 10.898 1.00 0.53 H new ATOM 0 HB2 CYS B 127 4.554 11.984 11.989 1.00 0.56 H new ATOM 0 HB3 CYS B 127 2.829 12.093 11.700 1.00 0.56 H new ATOM 1595 N CYS B 128 1.975 9.845 9.169 1.00 0.53 N ATOM 1596 CA CYS B 128 0.890 9.951 8.229 1.00 0.56 C ATOM 1597 C CYS B 128 -0.401 9.320 8.783 1.00 0.60 C ATOM 1598 O CYS B 128 -0.413 8.124 9.089 1.00 0.76 O ATOM 1599 CB CYS B 128 1.272 9.214 6.932 1.00 0.63 C ATOM 1600 SG CYS B 128 2.979 8.554 6.900 1.00 1.23 S ATOM 0 H CYS B 128 2.125 8.893 9.503 1.00 0.53 H new ATOM 0 HA CYS B 128 0.710 11.010 8.041 1.00 0.56 H new ATOM 0 HB2 CYS B 128 0.576 8.389 6.780 1.00 0.63 H new ATOM 0 HB3 CYS B 128 1.145 9.897 6.092 1.00 0.63 H new ATOM 1605 N GLY B 129 -1.551 10.044 8.748 1.00 0.60 N ATOM 1606 CA GLY B 129 -2.789 9.450 9.098 1.00 0.65 C ATOM 1607 C GLY B 129 -3.638 9.608 7.857 1.00 0.66 C ATOM 1608 O GLY B 129 -3.097 9.837 6.774 1.00 0.64 O ATOM 0 H GLY B 129 -1.607 11.026 8.479 1.00 0.60 H new ATOM 0 HA2 GLY B 129 -2.666 8.401 9.366 1.00 0.65 H new ATOM 0 HA3 GLY B 129 -3.241 9.947 9.956 1.00 0.65 H new ATOM 1612 N ASP B 130 -4.925 9.518 7.978 1.00 0.72 N ATOM 1613 CA ASP B 130 -5.779 9.638 6.817 1.00 0.76 C ATOM 1614 C ASP B 130 -5.742 11.028 6.240 1.00 0.77 C ATOM 1615 O ASP B 130 -5.307 11.218 5.099 1.00 0.81 O ATOM 1616 CB ASP B 130 -7.209 9.229 7.156 1.00 0.84 C ATOM 1617 CG ASP B 130 -8.013 8.901 5.912 1.00 1.47 C ATOM 1618 OD1 ASP B 130 -7.686 7.896 5.243 1.00 1.96 O ATOM 1619 OD2 ASP B 130 -8.960 9.651 5.602 1.00 2.35 O ATOM 0 H ASP B 130 -5.415 9.363 8.859 1.00 0.72 H new ATOM 0 HA ASP B 130 -5.396 8.959 6.055 1.00 0.76 H new ATOM 0 HB2 ASP B 130 -7.192 8.362 7.816 1.00 0.84 H new ATOM 0 HB3 ASP B 130 -7.698 10.036 7.702 1.00 0.84 H new ATOM 1624 N GLU B 131 -6.361 11.967 6.906 1.00 0.79 N ATOM 1625 CA GLU B 131 -6.499 13.293 6.343 1.00 0.85 C ATOM 1626 C GLU B 131 -5.551 14.229 6.984 1.00 0.89 C ATOM 1627 O GLU B 131 -5.798 15.432 7.089 1.00 1.03 O ATOM 1628 CB GLU B 131 -7.911 13.828 6.624 1.00 0.93 C ATOM 1629 CG GLU B 131 -8.784 12.943 7.501 1.00 1.02 C ATOM 1630 CD GLU B 131 -10.258 13.265 7.364 1.00 1.16 C ATOM 1631 OE1 GLU B 131 -10.857 12.882 6.338 1.00 1.63 O ATOM 1632 OE2 GLU B 131 -10.816 13.900 8.286 1.00 1.69 O ATOM 0 H GLU B 131 -6.775 11.845 7.830 1.00 0.79 H new ATOM 0 HA GLU B 131 -6.304 13.224 5.273 1.00 0.85 H new ATOM 0 HB2 GLU B 131 -7.823 14.805 7.098 1.00 0.93 H new ATOM 0 HB3 GLU B 131 -8.419 13.980 5.672 1.00 0.93 H new ATOM 0 HG2 GLU B 131 -8.617 11.898 7.238 1.00 1.02 H new ATOM 0 HG3 GLU B 131 -8.485 13.061 8.543 1.00 1.02 H new ATOM 1639 N LEU B 132 -4.430 13.716 7.312 1.00 0.83 N ATOM 1640 CA LEU B 132 -3.386 14.444 7.874 1.00 0.89 C ATOM 1641 C LEU B 132 -2.189 14.156 6.993 1.00 0.83 C ATOM 1642 O LEU B 132 -1.279 14.972 6.879 1.00 0.91 O ATOM 1643 CB LEU B 132 -3.184 13.927 9.281 1.00 0.93 C ATOM 1644 CG LEU B 132 -3.460 14.931 10.390 1.00 1.16 C ATOM 1645 CD1 LEU B 132 -3.443 14.247 11.756 1.00 1.25 C ATOM 1646 CD2 LEU B 132 -2.453 16.070 10.328 1.00 1.38 C ATOM 0 H LEU B 132 -4.214 12.727 7.186 1.00 0.83 H new ATOM 0 HA LEU B 132 -3.563 15.518 7.931 1.00 0.89 H new ATOM 0 HB2 LEU B 132 -3.830 13.062 9.428 1.00 0.93 H new ATOM 0 HB3 LEU B 132 -2.156 13.578 9.378 1.00 0.93 H new ATOM 0 HG LEU B 132 -4.456 15.350 10.245 1.00 1.16 H new ATOM 0 HD11 LEU B 132 -3.643 14.984 12.534 1.00 1.25 H new ATOM 0 HD12 LEU B 132 -4.209 13.472 11.785 1.00 1.25 H new ATOM 0 HD13 LEU B 132 -2.465 13.796 11.925 1.00 1.25 H new ATOM 0 HD21 LEU B 132 -2.660 16.783 11.126 1.00 1.38 H new ATOM 0 HD22 LEU B 132 -1.446 15.672 10.449 1.00 1.38 H new ATOM 0 HD23 LEU B 132 -2.531 16.573 9.364 1.00 1.38 H new ATOM 1658 N GLY B 133 -2.247 13.011 6.302 1.00 0.72 N ATOM 1659 CA GLY B 133 -1.241 12.668 5.406 1.00 0.70 C ATOM 1660 C GLY B 133 -0.024 12.249 6.137 1.00 0.66 C ATOM 1661 O GLY B 133 -0.136 11.501 7.091 1.00 0.65 O ATOM 0 H GLY B 133 -3.003 12.331 6.377 1.00 0.72 H new ATOM 0 HA2 GLY B 133 -1.581 11.860 4.759 1.00 0.70 H new ATOM 0 HA3 GLY B 133 -1.013 13.517 4.762 1.00 0.70 H new ATOM 1665 N CYS B 134 1.137 12.708 5.726 1.00 0.69 N ATOM 1666 CA CYS B 134 2.346 12.313 6.414 1.00 0.68 C ATOM 1667 C CYS B 134 3.289 13.446 6.661 1.00 0.64 C ATOM 1668 O CYS B 134 3.865 13.976 5.717 1.00 0.62 O ATOM 1669 CB CYS B 134 3.106 11.277 5.608 1.00 0.72 C ATOM 1670 SG CYS B 134 4.139 10.190 6.617 1.00 1.08 S ATOM 0 H CYS B 134 1.270 13.341 4.937 1.00 0.69 H new ATOM 0 HA CYS B 134 2.009 11.917 7.372 1.00 0.68 H new ATOM 0 HB2 CYS B 134 2.394 10.671 5.048 1.00 0.72 H new ATOM 0 HB3 CYS B 134 3.735 11.787 4.878 1.00 0.72 H new ATOM 1675 N PHE B 135 3.534 13.760 7.925 1.00 0.67 N ATOM 1676 CA PHE B 135 4.504 14.760 8.207 1.00 0.66 C ATOM 1677 C PHE B 135 5.776 13.968 8.289 1.00 0.64 C ATOM 1678 O PHE B 135 5.983 13.226 9.251 1.00 0.64 O ATOM 1679 CB PHE B 135 4.259 15.525 9.525 1.00 0.70 C ATOM 1680 CG PHE B 135 2.898 15.355 10.132 1.00 0.72 C ATOM 1681 CD1 PHE B 135 2.522 14.142 10.653 1.00 0.96 C ATOM 1682 CD2 PHE B 135 2.003 16.410 10.182 1.00 1.15 C ATOM 1683 CE1 PHE B 135 1.275 13.963 11.213 1.00 1.19 C ATOM 1684 CE2 PHE B 135 0.750 16.245 10.744 1.00 1.36 C ATOM 1685 CZ PHE B 135 0.387 15.017 11.259 1.00 1.23 C ATOM 0 H PHE B 135 3.080 13.341 8.737 1.00 0.67 H new ATOM 0 HA PHE B 135 4.497 15.544 7.450 1.00 0.66 H new ATOM 0 HB2 PHE B 135 5.004 15.205 10.253 1.00 0.70 H new ATOM 0 HB3 PHE B 135 4.426 16.587 9.344 1.00 0.70 H new ATOM 0 HD1 PHE B 135 3.215 13.314 10.624 1.00 0.96 H new ATOM 0 HD2 PHE B 135 2.286 17.371 9.778 1.00 1.15 H new ATOM 0 HE1 PHE B 135 0.994 13.000 11.614 1.00 1.19 H new ATOM 0 HE2 PHE B 135 0.058 17.074 10.780 1.00 1.36 H new ATOM 0 HZ PHE B 135 -0.591 14.882 11.697 1.00 1.23 H new ATOM 1695 N VAL B 136 6.612 14.076 7.291 1.00 0.66 N ATOM 1696 CA VAL B 136 7.815 13.303 7.297 1.00 0.68 C ATOM 1697 C VAL B 136 8.943 14.097 7.912 1.00 0.71 C ATOM 1698 O VAL B 136 9.711 14.806 7.250 1.00 0.74 O ATOM 1699 CB VAL B 136 8.164 12.741 5.900 1.00 0.73 C ATOM 1700 CG1 VAL B 136 9.078 11.532 6.031 1.00 0.75 C ATOM 1701 CG2 VAL B 136 6.885 12.351 5.152 1.00 0.74 C ATOM 0 H VAL B 136 6.483 14.681 6.480 1.00 0.66 H new ATOM 0 HA VAL B 136 7.651 12.425 7.922 1.00 0.68 H new ATOM 0 HB VAL B 136 8.683 13.515 5.334 1.00 0.73 H new ATOM 0 HG11 VAL B 136 9.316 11.146 5.040 1.00 0.75 H new ATOM 0 HG12 VAL B 136 9.998 11.825 6.537 1.00 0.75 H new ATOM 0 HG13 VAL B 136 8.576 10.757 6.611 1.00 0.75 H new ATOM 0 HG21 VAL B 136 7.144 11.957 4.169 1.00 0.74 H new ATOM 0 HG22 VAL B 136 6.350 11.589 5.719 1.00 0.74 H new ATOM 0 HG23 VAL B 136 6.250 13.229 5.035 1.00 0.74 H new ATOM 1711 N GLY B 137 9.009 13.957 9.223 1.00 0.72 N ATOM 1712 CA GLY B 137 10.050 14.620 9.997 1.00 0.76 C ATOM 1713 C GLY B 137 9.623 15.861 10.755 1.00 0.73 C ATOM 1714 O GLY B 137 10.476 16.655 11.156 1.00 0.83 O ATOM 0 H GLY B 137 8.360 13.395 9.774 1.00 0.72 H new ATOM 0 HA2 GLY B 137 10.457 13.904 10.711 1.00 0.76 H new ATOM 0 HA3 GLY B 137 10.861 14.892 9.321 1.00 0.76 H new ATOM 1718 N THR B 138 8.331 16.043 10.974 1.00 0.69 N ATOM 1719 CA THR B 138 7.880 17.204 11.723 1.00 0.70 C ATOM 1720 C THR B 138 7.836 16.846 13.199 1.00 0.73 C ATOM 1721 O THR B 138 8.034 15.681 13.543 1.00 0.77 O ATOM 1722 CB THR B 138 6.556 17.729 11.186 1.00 0.73 C ATOM 1723 OG1 THR B 138 5.491 16.847 11.475 1.00 0.78 O ATOM 1724 CG2 THR B 138 6.607 17.950 9.687 1.00 0.77 C ATOM 0 H THR B 138 7.591 15.418 10.653 1.00 0.69 H new ATOM 0 HA THR B 138 8.583 18.028 11.600 1.00 0.70 H new ATOM 0 HB THR B 138 6.383 18.682 11.685 1.00 0.73 H new ATOM 0 HG1 THR B 138 4.639 17.323 11.385 1.00 0.78 H new ATOM 0 HG21 THR B 138 5.644 18.325 9.341 1.00 0.77 H new ATOM 0 HG22 THR B 138 7.384 18.677 9.453 1.00 0.77 H new ATOM 0 HG23 THR B 138 6.830 17.007 9.188 1.00 0.77 H new ATOM 1732 N ALA B 139 7.505 17.785 14.080 1.00 0.79 N ATOM 1733 CA ALA B 139 7.439 17.456 15.501 1.00 0.88 C ATOM 1734 C ALA B 139 6.449 16.333 15.741 1.00 0.83 C ATOM 1735 O ALA B 139 6.645 15.497 16.622 1.00 0.87 O ATOM 1736 CB ALA B 139 7.094 18.683 16.325 1.00 1.04 C ATOM 0 H ALA B 139 7.284 18.753 13.846 1.00 0.79 H new ATOM 0 HA ALA B 139 8.422 17.111 15.821 1.00 0.88 H new ATOM 0 HB1 ALA B 139 7.051 18.412 17.380 1.00 1.04 H new ATOM 0 HB2 ALA B 139 7.857 19.447 16.177 1.00 1.04 H new ATOM 0 HB3 ALA B 139 6.126 19.072 16.010 1.00 1.04 H new ATOM 1742 N GLU B 140 5.364 16.333 14.985 1.00 0.79 N ATOM 1743 CA GLU B 140 4.334 15.317 15.129 1.00 0.79 C ATOM 1744 C GLU B 140 4.890 13.908 14.887 1.00 0.73 C ATOM 1745 O GLU B 140 4.262 12.915 15.249 1.00 0.79 O ATOM 1746 CB GLU B 140 3.200 15.600 14.136 1.00 0.83 C ATOM 1747 CG GLU B 140 2.469 16.910 14.400 1.00 1.27 C ATOM 1748 CD GLU B 140 3.130 18.101 13.733 1.00 1.55 C ATOM 1749 OE1 GLU B 140 4.096 18.643 14.310 1.00 1.90 O ATOM 1750 OE2 GLU B 140 2.680 18.494 12.637 1.00 2.31 O ATOM 0 H GLU B 140 5.173 17.028 14.263 1.00 0.79 H new ATOM 0 HA GLU B 140 3.959 15.357 16.152 1.00 0.79 H new ATOM 0 HB2 GLU B 140 3.610 15.620 13.126 1.00 0.83 H new ATOM 0 HB3 GLU B 140 2.483 14.780 14.173 1.00 0.83 H new ATOM 0 HG2 GLU B 140 1.442 16.825 14.045 1.00 1.27 H new ATOM 0 HG3 GLU B 140 2.421 17.083 15.475 1.00 1.27 H new ATOM 1757 N ALA B 141 6.078 13.838 14.297 1.00 0.69 N ATOM 1758 CA ALA B 141 6.724 12.579 14.009 1.00 0.70 C ATOM 1759 C ALA B 141 7.759 12.260 15.063 1.00 0.77 C ATOM 1760 O ALA B 141 8.056 11.100 15.305 1.00 0.87 O ATOM 1761 CB ALA B 141 7.344 12.594 12.618 1.00 0.75 C ATOM 0 H ALA B 141 6.614 14.656 14.008 1.00 0.69 H new ATOM 0 HA ALA B 141 5.969 11.793 14.028 1.00 0.70 H new ATOM 0 HB1 ALA B 141 7.825 11.635 12.424 1.00 0.75 H new ATOM 0 HB2 ALA B 141 6.566 12.767 11.875 1.00 0.75 H new ATOM 0 HB3 ALA B 141 8.086 13.390 12.559 1.00 0.75 H new ATOM 1767 N LEU B 142 8.313 13.284 15.704 1.00 0.80 N ATOM 1768 CA LEU B 142 9.307 13.051 16.747 1.00 0.93 C ATOM 1769 C LEU B 142 8.728 12.128 17.810 1.00 1.06 C ATOM 1770 O LEU B 142 9.442 11.335 18.428 1.00 1.24 O ATOM 1771 CB LEU B 142 9.770 14.372 17.358 1.00 0.97 C ATOM 1772 CG LEU B 142 10.913 15.055 16.602 1.00 1.01 C ATOM 1773 CD1 LEU B 142 10.757 16.568 16.639 1.00 1.11 C ATOM 1774 CD2 LEU B 142 12.258 14.642 17.180 1.00 1.14 C ATOM 0 H LEU B 142 8.097 14.265 15.525 1.00 0.80 H new ATOM 0 HA LEU B 142 10.180 12.570 16.305 1.00 0.93 H new ATOM 0 HB2 LEU B 142 8.921 15.055 17.402 1.00 0.97 H new ATOM 0 HB3 LEU B 142 10.087 14.191 18.385 1.00 0.97 H new ATOM 0 HG LEU B 142 10.872 14.734 15.561 1.00 1.01 H new ATOM 0 HD11 LEU B 142 11.580 17.032 16.096 1.00 1.11 H new ATOM 0 HD12 LEU B 142 9.812 16.848 16.174 1.00 1.11 H new ATOM 0 HD13 LEU B 142 10.767 16.910 17.674 1.00 1.11 H new ATOM 0 HD21 LEU B 142 13.058 15.137 16.630 1.00 1.14 H new ATOM 0 HD22 LEU B 142 12.307 14.931 18.230 1.00 1.14 H new ATOM 0 HD23 LEU B 142 12.374 13.562 17.095 1.00 1.14 H new ATOM 1786 N ARG B 143 7.408 12.191 17.977 1.00 1.06 N ATOM 1787 CA ARG B 143 6.735 11.315 18.917 1.00 1.26 C ATOM 1788 C ARG B 143 6.581 9.934 18.288 1.00 1.27 C ATOM 1789 O ARG B 143 6.000 9.021 18.893 1.00 1.49 O ATOM 1790 CB ARG B 143 5.367 11.869 19.347 1.00 1.35 C ATOM 1791 CG ARG B 143 4.595 12.556 18.234 1.00 1.36 C ATOM 1792 CD ARG B 143 4.730 14.067 18.321 1.00 1.50 C ATOM 1793 NE ARG B 143 3.524 14.701 18.849 1.00 1.90 N ATOM 1794 CZ ARG B 143 3.406 16.011 19.057 1.00 2.20 C ATOM 1795 NH1 ARG B 143 4.407 16.830 18.760 1.00 2.36 N ATOM 1796 NH2 ARG B 143 2.280 16.505 19.557 1.00 2.93 N ATOM 0 H ARG B 143 6.794 12.834 17.477 1.00 1.06 H new ATOM 0 HA ARG B 143 7.344 11.247 19.819 1.00 1.26 H new ATOM 0 HB2 ARG B 143 4.764 11.051 19.741 1.00 1.35 H new ATOM 0 HB3 ARG B 143 5.515 12.577 20.162 1.00 1.35 H new ATOM 0 HG2 ARG B 143 4.962 12.211 17.267 1.00 1.36 H new ATOM 0 HG3 ARG B 143 3.543 12.279 18.293 1.00 1.36 H new ATOM 0 HD2 ARG B 143 5.578 14.318 18.958 1.00 1.50 H new ATOM 0 HD3 ARG B 143 4.945 14.468 17.331 1.00 1.50 H new ATOM 0 HE ARG B 143 2.726 14.106 19.071 1.00 1.90 H new ATOM 0 HH11 ARG B 143 5.273 16.457 18.370 1.00 2.36 H new ATOM 0 HH12 ARG B 143 4.311 17.833 18.922 1.00 2.36 H new ATOM 0 HH21 ARG B 143 1.505 15.881 19.782 1.00 2.93 H new ATOM 0 HH22 ARG B 143 2.190 17.508 19.716 1.00 2.93 H new ATOM 1810 N CYS B 144 7.265 9.703 17.154 1.00 1.10 N ATOM 1811 CA CYS B 144 7.316 8.369 16.567 1.00 1.17 C ATOM 1812 C CYS B 144 8.530 7.643 17.186 1.00 1.44 C ATOM 1813 O CYS B 144 8.900 6.546 16.773 1.00 1.61 O ATOM 1814 CB CYS B 144 7.528 8.444 15.037 1.00 1.05 C ATOM 1815 SG CYS B 144 6.031 8.642 13.995 1.00 1.26 S ATOM 0 H CYS B 144 7.780 10.416 16.638 1.00 1.10 H new ATOM 0 HA CYS B 144 6.379 7.849 16.763 1.00 1.17 H new ATOM 0 HB2 CYS B 144 8.198 9.278 14.829 1.00 1.05 H new ATOM 0 HB3 CYS B 144 8.042 7.536 14.722 1.00 1.05 H new ATOM 1820 N GLN B 145 9.063 8.235 18.255 1.00 1.58 N ATOM 1821 CA GLN B 145 10.181 7.645 18.984 1.00 1.89 C ATOM 1822 C GLN B 145 9.672 6.717 20.062 1.00 2.14 C ATOM 1823 O GLN B 145 10.428 5.919 20.628 1.00 2.40 O ATOM 1824 CB GLN B 145 11.095 8.712 19.595 1.00 2.00 C ATOM 1825 CG GLN B 145 12.428 8.156 20.085 1.00 2.43 C ATOM 1826 CD GLN B 145 13.467 8.055 18.983 1.00 2.77 C ATOM 1827 OE1 GLN B 145 13.967 9.067 18.493 1.00 3.35 O ATOM 1828 NE2 GLN B 145 13.800 6.830 18.590 1.00 3.05 N ATOM 0 H GLN B 145 8.737 9.124 18.634 1.00 1.58 H new ATOM 0 HA GLN B 145 10.773 7.076 18.267 1.00 1.89 H new ATOM 0 HB2 GLN B 145 11.284 9.487 18.852 1.00 2.00 H new ATOM 0 HB3 GLN B 145 10.579 9.188 20.429 1.00 2.00 H new ATOM 0 HG2 GLN B 145 12.811 8.794 20.881 1.00 2.43 H new ATOM 0 HG3 GLN B 145 12.267 7.168 20.517 1.00 2.43 H new ATOM 0 HE21 GLN B 145 13.360 6.018 19.024 1.00 3.05 H new ATOM 0 HE22 GLN B 145 14.495 6.702 17.855 1.00 3.05 H new ATOM 1837 N GLU B 146 8.375 6.778 20.328 1.00 2.12 N ATOM 1838 CA GLU B 146 7.824 5.906 21.334 1.00 2.41 C ATOM 1839 C GLU B 146 7.474 4.573 20.701 1.00 2.40 C ATOM 1840 O GLU B 146 6.952 3.677 21.369 1.00 2.57 O ATOM 1841 CB GLU B 146 6.600 6.536 21.996 1.00 2.47 C ATOM 1842 CG GLU B 146 6.946 7.714 22.895 1.00 2.88 C ATOM 1843 CD GLU B 146 5.876 8.788 22.889 1.00 3.26 C ATOM 1844 OE1 GLU B 146 4.899 8.656 23.654 1.00 3.59 O ATOM 1845 OE2 GLU B 146 6.016 9.761 22.118 1.00 3.76 O ATOM 0 H GLU B 146 7.709 7.403 19.874 1.00 2.12 H new ATOM 0 HA GLU B 146 8.568 5.747 22.115 1.00 2.41 H new ATOM 0 HB2 GLU B 146 5.907 6.868 21.223 1.00 2.47 H new ATOM 0 HB3 GLU B 146 6.082 5.778 22.584 1.00 2.47 H new ATOM 0 HG2 GLU B 146 7.091 7.357 23.915 1.00 2.88 H new ATOM 0 HG3 GLU B 146 7.892 8.148 22.571 1.00 2.88 H new ATOM 1852 N GLU B 147 7.832 4.415 19.417 1.00 2.27 N ATOM 1853 CA GLU B 147 7.595 3.161 18.742 1.00 2.36 C ATOM 1854 C GLU B 147 8.673 2.154 19.130 1.00 2.40 C ATOM 1855 O GLU B 147 8.688 1.026 18.635 1.00 2.48 O ATOM 1856 CB GLU B 147 7.585 3.360 17.227 1.00 2.40 C ATOM 1857 CG GLU B 147 6.951 2.205 16.471 1.00 2.97 C ATOM 1858 CD GLU B 147 5.448 2.143 16.658 1.00 3.47 C ATOM 1859 OE1 GLU B 147 4.760 3.104 16.252 1.00 4.01 O ATOM 1860 OE2 GLU B 147 4.958 1.136 17.211 1.00 3.71 O ATOM 0 H GLU B 147 8.277 5.134 18.847 1.00 2.27 H new ATOM 0 HA GLU B 147 6.620 2.779 19.046 1.00 2.36 H new ATOM 0 HB2 GLU B 147 7.046 4.278 16.992 1.00 2.40 H new ATOM 0 HB3 GLU B 147 8.609 3.494 16.879 1.00 2.40 H new ATOM 0 HG2 GLU B 147 7.178 2.302 15.409 1.00 2.97 H new ATOM 0 HG3 GLU B 147 7.395 1.268 16.807 1.00 2.97 H new ATOM 1987 N SER B 156 0.158 -1.927 8.706 1.00 2.21 N ATOM 1988 CA SER B 156 0.586 -0.860 7.823 1.00 2.03 C ATOM 1989 C SER B 156 -0.472 -0.666 6.739 1.00 1.77 C ATOM 1990 O SER B 156 -1.469 -1.390 6.712 1.00 2.17 O ATOM 1991 CB SER B 156 1.957 -1.165 7.218 1.00 2.58 C ATOM 1992 OG SER B 156 2.634 0.031 6.867 1.00 3.11 O ATOM 0 HA SER B 156 0.691 0.065 8.391 1.00 2.03 H new ATOM 0 HB2 SER B 156 2.556 -1.730 7.932 1.00 2.58 H new ATOM 0 HB3 SER B 156 1.838 -1.792 6.335 1.00 2.58 H new ATOM 0 HG SER B 156 3.509 -0.189 6.484 1.00 3.11 H new ATOM 1998 N GLY B 157 -0.211 0.205 5.779 1.00 1.55 N ATOM 1999 CA GLY B 157 -1.149 0.379 4.692 1.00 1.82 C ATOM 2000 C GLY B 157 -0.833 -0.583 3.593 1.00 1.65 C ATOM 2001 O GLY B 157 0.344 -0.882 3.375 1.00 2.07 O ATOM 0 H GLY B 157 0.624 0.789 5.732 1.00 1.55 H new ATOM 0 HA2 GLY B 157 -2.166 0.217 5.048 1.00 1.82 H new ATOM 0 HA3 GLY B 157 -1.101 1.402 4.318 1.00 1.82 H new ATOM 2005 N GLN B 158 -1.830 -1.070 2.863 1.00 1.33 N ATOM 2006 CA GLN B 158 -1.483 -1.975 1.790 1.00 1.42 C ATOM 2007 C GLN B 158 -1.831 -1.361 0.453 1.00 1.04 C ATOM 2008 O GLN B 158 -2.608 -1.894 -0.334 1.00 0.95 O ATOM 2009 CB GLN B 158 -2.301 -3.259 1.972 1.00 1.93 C ATOM 2010 CG GLN B 158 -3.779 -2.994 2.270 1.00 2.76 C ATOM 2011 CD GLN B 158 -4.111 -3.069 3.753 1.00 3.57 C ATOM 2012 OE1 GLN B 158 -4.043 -4.137 4.363 1.00 3.89 O ATOM 2013 NE2 GLN B 158 -4.476 -1.932 4.341 1.00 4.34 N ATOM 0 H GLN B 158 -2.822 -0.867 2.985 1.00 1.33 H new ATOM 0 HA GLN B 158 -0.413 -2.182 1.815 1.00 1.42 H new ATOM 0 HB2 GLN B 158 -2.222 -3.864 1.069 1.00 1.93 H new ATOM 0 HB3 GLN B 158 -1.872 -3.843 2.786 1.00 1.93 H new ATOM 0 HG2 GLN B 158 -4.048 -2.007 1.893 1.00 2.76 H new ATOM 0 HG3 GLN B 158 -4.388 -3.719 1.730 1.00 2.76 H new ATOM 0 HE21 GLN B 158 -4.519 -1.069 3.799 1.00 4.34 H new ATOM 0 HE22 GLN B 158 -4.712 -1.924 5.333 1.00 4.34 H new ATOM 2022 N LYS B 159 -1.168 -0.258 0.195 1.00 1.15 N ATOM 2023 CA LYS B 159 -1.196 0.439 -1.072 1.00 1.13 C ATOM 2024 C LYS B 159 0.196 0.473 -1.693 1.00 0.95 C ATOM 2025 O LYS B 159 0.708 1.579 -1.878 1.00 0.91 O ATOM 2026 CB LYS B 159 -1.838 1.787 -0.912 1.00 1.54 C ATOM 2027 CG LYS B 159 -3.340 1.673 -0.691 1.00 1.91 C ATOM 2028 CD LYS B 159 -4.069 1.253 -1.961 1.00 2.18 C ATOM 2029 CE LYS B 159 -5.224 2.191 -2.270 1.00 2.81 C ATOM 2030 NZ LYS B 159 -4.769 3.403 -3.004 1.00 3.54 N ATOM 0 H LYS B 159 -0.572 0.196 0.887 1.00 1.15 H new ATOM 0 HA LYS B 159 -1.820 -0.102 -1.783 1.00 1.13 H new ATOM 0 HB2 LYS B 159 -1.385 2.308 -0.069 1.00 1.54 H new ATOM 0 HB3 LYS B 159 -1.646 2.389 -1.800 1.00 1.54 H new ATOM 0 HG2 LYS B 159 -3.537 0.947 0.098 1.00 1.91 H new ATOM 0 HG3 LYS B 159 -3.731 2.631 -0.348 1.00 1.91 H new ATOM 0 HD2 LYS B 159 -3.371 1.244 -2.798 1.00 2.18 H new ATOM 0 HD3 LYS B 159 -4.444 0.236 -1.848 1.00 2.18 H new ATOM 0 HE2 LYS B 159 -5.971 1.665 -2.865 1.00 2.81 H new ATOM 0 HE3 LYS B 159 -5.709 2.489 -1.341 1.00 2.81 H new ATOM 0 HZ1 LYS B 159 -5.572 3.822 -3.515 1.00 3.54 H new ATOM 0 HZ2 LYS B 159 -4.389 4.096 -2.328 1.00 3.54 H new ATOM 0 HZ3 LYS B 159 -4.027 3.139 -3.683 1.00 3.54 H new ATOM 2044 N PRO B 160 0.902 -0.639 -1.885 1.00 1.05 N ATOM 2045 CA PRO B 160 2.292 -0.580 -2.344 1.00 1.14 C ATOM 2046 C PRO B 160 2.528 0.121 -3.674 1.00 1.10 C ATOM 2047 O PRO B 160 2.727 -0.509 -4.711 1.00 1.23 O ATOM 2048 CB PRO B 160 2.733 -2.038 -2.409 1.00 1.46 C ATOM 2049 CG PRO B 160 1.466 -2.823 -2.382 1.00 1.51 C ATOM 2050 CD PRO B 160 0.495 -2.008 -1.568 1.00 1.27 C ATOM 0 HA PRO B 160 2.870 0.034 -1.653 1.00 1.14 H new ATOM 0 HB2 PRO B 160 3.303 -2.238 -3.316 1.00 1.46 H new ATOM 0 HB3 PRO B 160 3.375 -2.295 -1.566 1.00 1.46 H new ATOM 0 HG2 PRO B 160 1.088 -2.989 -3.391 1.00 1.51 H new ATOM 0 HG3 PRO B 160 1.624 -3.804 -1.935 1.00 1.51 H new ATOM 0 HD2 PRO B 160 -0.539 -2.202 -1.853 1.00 1.27 H new ATOM 0 HD3 PRO B 160 0.577 -2.221 -0.502 1.00 1.27 H new ATOM 2058 N CYS B 161 2.579 1.437 -3.594 1.00 1.09 N ATOM 2059 CA CYS B 161 2.885 2.290 -4.735 1.00 1.15 C ATOM 2060 C CYS B 161 4.356 2.665 -4.626 1.00 1.37 C ATOM 2061 O CYS B 161 5.028 2.233 -3.692 1.00 1.58 O ATOM 2062 CB CYS B 161 2.008 3.547 -4.776 1.00 1.32 C ATOM 2063 SG CYS B 161 1.375 4.093 -3.156 1.00 1.58 S ATOM 0 H CYS B 161 2.408 1.952 -2.730 1.00 1.09 H new ATOM 0 HA CYS B 161 2.679 1.753 -5.661 1.00 1.15 H new ATOM 0 HB2 CYS B 161 2.584 4.360 -5.218 1.00 1.32 H new ATOM 0 HB3 CYS B 161 1.161 3.360 -5.437 1.00 1.32 H new ATOM 2068 N GLY B 162 4.870 3.471 -5.537 1.00 1.57 N ATOM 2069 CA GLY B 162 6.264 3.845 -5.415 1.00 1.88 C ATOM 2070 C GLY B 162 7.195 2.686 -5.692 1.00 2.05 C ATOM 2071 O GLY B 162 6.790 1.671 -6.254 1.00 2.37 O ATOM 0 H GLY B 162 4.370 3.864 -6.334 1.00 1.57 H new ATOM 0 HA2 GLY B 162 6.482 4.657 -6.108 1.00 1.88 H new ATOM 0 HA3 GLY B 162 6.449 4.225 -4.410 1.00 1.88 H new ATOM 2075 N SER B 163 8.462 2.861 -5.337 1.00 2.40 N ATOM 2076 CA SER B 163 9.487 1.834 -5.591 1.00 2.93 C ATOM 2077 C SER B 163 9.529 0.804 -4.475 1.00 2.71 C ATOM 2078 O SER B 163 10.593 0.363 -4.044 1.00 3.29 O ATOM 2079 CB SER B 163 10.866 2.482 -5.742 1.00 3.81 C ATOM 2080 OG SER B 163 11.110 2.881 -7.082 1.00 4.07 O ATOM 0 H SER B 163 8.812 3.699 -4.873 1.00 2.40 H new ATOM 0 HA SER B 163 9.220 1.327 -6.518 1.00 2.93 H new ATOM 0 HB2 SER B 163 10.936 3.349 -5.085 1.00 3.81 H new ATOM 0 HB3 SER B 163 11.636 1.779 -5.425 1.00 3.81 H new ATOM 0 HG SER B 163 11.997 3.292 -7.144 1.00 4.07 H new ATOM 2086 N GLY B 164 8.329 0.444 -4.004 1.00 2.12 N ATOM 2087 CA GLY B 164 8.154 -0.509 -2.930 1.00 2.11 C ATOM 2088 C GLY B 164 7.397 0.036 -1.704 1.00 1.92 C ATOM 2089 O GLY B 164 7.363 -0.648 -0.680 1.00 2.20 O ATOM 0 H GLY B 164 7.452 0.816 -4.369 1.00 2.12 H new ATOM 0 HA2 GLY B 164 7.618 -1.376 -3.315 1.00 2.11 H new ATOM 0 HA3 GLY B 164 9.135 -0.858 -2.609 1.00 2.11 H new ATOM 2093 N GLY B 165 6.846 1.251 -1.748 1.00 1.61 N ATOM 2094 CA GLY B 165 6.175 1.756 -0.549 1.00 1.60 C ATOM 2095 C GLY B 165 4.654 1.684 -0.579 1.00 1.42 C ATOM 2096 O GLY B 165 4.041 1.732 -1.637 1.00 1.62 O ATOM 0 H GLY B 165 6.848 1.875 -2.555 1.00 1.61 H new ATOM 0 HA2 GLY B 165 6.533 1.192 0.313 1.00 1.60 H new ATOM 0 HA3 GLY B 165 6.471 2.794 -0.396 1.00 1.60 H new ATOM 2100 N ARG B 166 4.053 1.563 0.613 1.00 1.16 N ATOM 2101 CA ARG B 166 2.597 1.493 0.751 1.00 1.03 C ATOM 2102 C ARG B 166 2.015 2.856 1.144 1.00 0.95 C ATOM 2103 O ARG B 166 2.699 3.670 1.762 1.00 1.04 O ATOM 2104 CB ARG B 166 2.157 0.405 1.741 1.00 1.08 C ATOM 2105 CG ARG B 166 3.135 0.156 2.880 1.00 1.23 C ATOM 2106 CD ARG B 166 4.226 -0.828 2.486 1.00 1.39 C ATOM 2107 NE ARG B 166 3.692 -2.033 1.851 1.00 1.79 N ATOM 2108 CZ ARG B 166 3.259 -3.099 2.523 1.00 2.31 C ATOM 2109 NH1 ARG B 166 3.247 -3.100 3.850 1.00 2.54 N ATOM 2110 NH2 ARG B 166 2.831 -4.166 1.864 1.00 3.05 N ATOM 0 H ARG B 166 4.558 1.512 1.498 1.00 1.16 H new ATOM 0 HA ARG B 166 2.200 1.217 -0.226 1.00 1.03 H new ATOM 0 HB2 ARG B 166 1.191 0.684 2.162 1.00 1.08 H new ATOM 0 HB3 ARG B 166 2.009 -0.527 1.195 1.00 1.08 H new ATOM 0 HG2 ARG B 166 3.589 1.100 3.181 1.00 1.23 H new ATOM 0 HG3 ARG B 166 2.595 -0.228 3.745 1.00 1.23 H new ATOM 0 HD2 ARG B 166 4.922 -0.340 1.804 1.00 1.39 H new ATOM 0 HD3 ARG B 166 4.794 -1.110 3.373 1.00 1.39 H new ATOM 0 HE ARG B 166 3.649 -2.059 0.832 1.00 1.79 H new ATOM 0 HH11 ARG B 166 3.571 -2.280 4.364 1.00 2.54 H new ATOM 0 HH12 ARG B 166 2.914 -3.920 4.356 1.00 2.54 H new ATOM 0 HH21 ARG B 166 2.833 -4.170 0.844 1.00 3.05 H new ATOM 0 HH22 ARG B 166 2.499 -4.983 2.377 1.00 3.05 H new ATOM 2124 N CYS B 167 0.753 3.109 0.772 1.00 0.87 N ATOM 2125 CA CYS B 167 0.099 4.359 1.064 1.00 0.88 C ATOM 2126 C CYS B 167 -0.143 4.528 2.548 1.00 0.88 C ATOM 2127 O CYS B 167 -0.854 3.737 3.163 1.00 0.93 O ATOM 2128 CB CYS B 167 -1.234 4.454 0.313 1.00 0.94 C ATOM 2129 SG CYS B 167 -2.057 6.072 0.436 1.00 1.56 S ATOM 0 H CYS B 167 0.171 2.444 0.262 1.00 0.87 H new ATOM 0 HA CYS B 167 0.762 5.158 0.732 1.00 0.88 H new ATOM 0 HB2 CYS B 167 -1.060 4.228 -0.739 1.00 0.94 H new ATOM 0 HB3 CYS B 167 -1.908 3.688 0.697 1.00 0.94 H new ATOM 2134 N ALA B 168 0.402 5.591 3.105 1.00 0.90 N ATOM 2135 CA ALA B 168 0.186 5.886 4.514 1.00 0.95 C ATOM 2136 C ALA B 168 -0.955 6.889 4.627 1.00 0.96 C ATOM 2137 O ALA B 168 -1.563 7.070 5.682 1.00 1.04 O ATOM 2138 CB ALA B 168 1.456 6.416 5.152 1.00 0.96 C ATOM 0 H ALA B 168 0.993 6.261 2.612 1.00 0.90 H new ATOM 0 HA ALA B 168 -0.082 4.975 5.049 1.00 0.95 H new ATOM 0 HB1 ALA B 168 1.272 6.630 6.205 1.00 0.96 H new ATOM 0 HB2 ALA B 168 2.245 5.669 5.066 1.00 0.96 H new ATOM 0 HB3 ALA B 168 1.764 7.330 4.644 1.00 0.96 H new ATOM 2144 N ALA B 169 -1.195 7.552 3.506 1.00 0.90 N ATOM 2145 CA ALA B 169 -2.234 8.572 3.398 1.00 0.94 C ATOM 2146 C ALA B 169 -2.484 8.975 1.956 1.00 0.91 C ATOM 2147 O ALA B 169 -1.634 8.779 1.092 1.00 0.87 O ATOM 2148 CB ALA B 169 -1.849 9.777 4.189 1.00 0.98 C ATOM 0 H ALA B 169 -0.675 7.400 2.642 1.00 0.90 H new ATOM 0 HA ALA B 169 -3.155 8.144 3.794 1.00 0.94 H new ATOM 0 HB1 ALA B 169 -2.629 10.533 4.103 1.00 0.98 H new ATOM 0 HB2 ALA B 169 -1.725 9.501 5.236 1.00 0.98 H new ATOM 0 HB3 ALA B 169 -0.911 10.179 3.806 1.00 0.98 H new ATOM 2154 N ALA B 170 -3.631 9.577 1.708 1.00 0.98 N ATOM 2155 CA ALA B 170 -3.957 10.035 0.356 1.00 1.00 C ATOM 2156 C ALA B 170 -2.949 11.086 -0.114 1.00 1.04 C ATOM 2157 O ALA B 170 -2.548 11.963 0.647 1.00 1.25 O ATOM 2158 CB ALA B 170 -5.376 10.585 0.287 1.00 1.15 C ATOM 0 H ALA B 170 -4.349 9.762 2.409 1.00 0.98 H new ATOM 0 HA ALA B 170 -3.898 9.175 -0.312 1.00 1.00 H new ATOM 0 HB1 ALA B 170 -5.588 10.917 -0.729 1.00 1.15 H new ATOM 0 HB2 ALA B 170 -6.083 9.805 0.569 1.00 1.15 H new ATOM 0 HB3 ALA B 170 -5.473 11.427 0.972 1.00 1.15 H new ATOM 2164 N GLY B 171 -2.551 10.991 -1.373 1.00 1.15 N ATOM 2165 CA GLY B 171 -1.602 11.941 -1.938 1.00 1.28 C ATOM 2166 C GLY B 171 -0.166 11.738 -1.472 1.00 1.22 C ATOM 2167 O GLY B 171 0.725 12.490 -1.855 1.00 1.29 O ATOM 0 H GLY B 171 -2.868 10.270 -2.021 1.00 1.15 H new ATOM 0 HA2 GLY B 171 -1.634 11.867 -3.025 1.00 1.28 H new ATOM 0 HA3 GLY B 171 -1.918 12.951 -1.678 1.00 1.28 H new ATOM 2171 N ILE B 172 0.042 10.755 -0.608 1.00 1.13 N ATOM 2172 CA ILE B 172 1.379 10.479 -0.081 1.00 1.09 C ATOM 2173 C ILE B 172 1.659 8.979 0.094 1.00 1.02 C ATOM 2174 O ILE B 172 1.141 8.321 1.009 1.00 1.34 O ATOM 2175 CB ILE B 172 1.604 11.214 1.233 1.00 1.53 C ATOM 2176 CG1 ILE B 172 0.677 10.673 2.303 1.00 1.09 C ATOM 2177 CG2 ILE B 172 1.403 12.703 1.035 1.00 2.27 C ATOM 2178 CD1 ILE B 172 1.436 9.933 3.354 1.00 0.91 C ATOM 0 H ILE B 172 -0.689 10.137 -0.256 1.00 1.13 H new ATOM 0 HA ILE B 172 2.084 10.848 -0.826 1.00 1.09 H new ATOM 0 HB ILE B 172 2.630 11.050 1.564 1.00 1.53 H new ATOM 0 HG12 ILE B 172 0.126 11.495 2.760 1.00 1.09 H new ATOM 0 HG13 ILE B 172 -0.059 10.010 1.848 1.00 1.09 H new ATOM 0 HG21 ILE B 172 1.566 13.221 1.980 1.00 2.27 H new ATOM 0 HG22 ILE B 172 2.112 13.070 0.293 1.00 2.27 H new ATOM 0 HG23 ILE B 172 0.386 12.890 0.689 1.00 2.27 H new ATOM 0 HD11 ILE B 172 0.743 9.557 4.107 1.00 0.91 H new ATOM 0 HD12 ILE B 172 1.966 9.096 2.899 1.00 0.91 H new ATOM 0 HD13 ILE B 172 2.154 10.604 3.825 1.00 0.91 H new ATOM 2190 N CYS B 173 2.502 8.446 -0.779 1.00 0.81 N ATOM 2191 CA CYS B 173 2.876 7.042 -0.718 1.00 1.04 C ATOM 2192 C CYS B 173 4.207 6.884 -0.004 1.00 1.06 C ATOM 2193 O CYS B 173 5.253 7.294 -0.512 1.00 1.19 O ATOM 2194 CB CYS B 173 2.954 6.444 -2.118 1.00 1.17 C ATOM 2195 SG CYS B 173 3.052 4.629 -2.147 1.00 1.94 S ATOM 0 H CYS B 173 2.940 8.967 -1.539 1.00 0.81 H new ATOM 0 HA CYS B 173 2.110 6.506 -0.158 1.00 1.04 H new ATOM 0 HB2 CYS B 173 2.078 6.759 -2.685 1.00 1.17 H new ATOM 0 HB3 CYS B 173 3.827 6.852 -2.627 1.00 1.17 H new ATOM 2200 N CYS B 174 4.162 6.308 1.188 1.00 0.97 N ATOM 2201 CA CYS B 174 5.362 6.112 1.974 1.00 0.99 C ATOM 2202 C CYS B 174 5.982 4.746 1.725 1.00 1.16 C ATOM 2203 O CYS B 174 5.287 3.735 1.618 1.00 1.35 O ATOM 2204 CB CYS B 174 5.067 6.307 3.459 1.00 1.12 C ATOM 2205 SG CYS B 174 4.495 7.988 3.878 1.00 1.26 S ATOM 0 H CYS B 174 3.306 5.970 1.628 1.00 0.97 H new ATOM 0 HA CYS B 174 6.088 6.862 1.660 1.00 0.99 H new ATOM 0 HB2 CYS B 174 4.309 5.587 3.767 1.00 1.12 H new ATOM 0 HB3 CYS B 174 5.968 6.086 4.032 1.00 1.12 H new ATOM 2210 N SER B 175 7.305 4.742 1.636 1.00 1.15 N ATOM 2211 CA SER B 175 8.081 3.530 1.406 1.00 1.38 C ATOM 2212 C SER B 175 8.915 3.233 2.650 1.00 1.29 C ATOM 2213 O SER B 175 8.848 3.983 3.623 1.00 1.12 O ATOM 2214 CB SER B 175 8.967 3.723 0.168 1.00 1.48 C ATOM 2215 OG SER B 175 9.774 4.880 0.293 1.00 2.00 O ATOM 0 H SER B 175 7.874 5.584 1.722 1.00 1.15 H new ATOM 0 HA SER B 175 7.423 2.681 1.221 1.00 1.38 H new ATOM 0 HB2 SER B 175 9.601 2.847 0.031 1.00 1.48 H new ATOM 0 HB3 SER B 175 8.342 3.806 -0.721 1.00 1.48 H new ATOM 0 HG SER B 175 10.330 4.979 -0.508 1.00 2.00 H new ATOM 2221 N PRO B 176 9.711 2.148 2.668 1.00 1.49 N ATOM 2222 CA PRO B 176 10.522 1.816 3.840 1.00 1.45 C ATOM 2223 C PRO B 176 11.757 2.708 3.950 1.00 1.20 C ATOM 2224 O PRO B 176 12.797 2.293 4.462 1.00 1.25 O ATOM 2225 CB PRO B 176 10.916 0.360 3.595 1.00 1.77 C ATOM 2226 CG PRO B 176 10.935 0.221 2.113 1.00 1.90 C ATOM 2227 CD PRO B 176 9.877 1.157 1.583 1.00 1.81 C ATOM 0 HA PRO B 176 9.983 1.965 4.776 1.00 1.45 H new ATOM 0 HB2 PRO B 176 11.891 0.135 4.027 1.00 1.77 H new ATOM 0 HB3 PRO B 176 10.201 -0.326 4.048 1.00 1.77 H new ATOM 0 HG2 PRO B 176 11.916 0.476 1.712 1.00 1.90 H new ATOM 0 HG3 PRO B 176 10.727 -0.807 1.817 1.00 1.90 H new ATOM 0 HD2 PRO B 176 10.191 1.630 0.653 1.00 1.81 H new ATOM 0 HD3 PRO B 176 8.945 0.631 1.375 1.00 1.81 H new ATOM 2235 N ASP B 177 11.620 3.942 3.466 1.00 1.01 N ATOM 2236 CA ASP B 177 12.695 4.926 3.504 1.00 0.92 C ATOM 2237 C ASP B 177 12.118 6.326 3.734 1.00 0.83 C ATOM 2238 O ASP B 177 12.663 7.109 4.512 1.00 0.90 O ATOM 2239 CB ASP B 177 13.499 4.886 2.203 1.00 1.18 C ATOM 2240 CG ASP B 177 14.449 3.705 2.151 1.00 1.96 C ATOM 2241 OD1 ASP B 177 15.399 3.669 2.960 1.00 2.72 O ATOM 2242 OD2 ASP B 177 14.241 2.814 1.299 1.00 2.51 O ATOM 0 H ASP B 177 10.760 4.285 3.037 1.00 1.01 H new ATOM 0 HA ASP B 177 13.364 4.684 4.330 1.00 0.92 H new ATOM 0 HB2 ASP B 177 12.814 4.836 1.356 1.00 1.18 H new ATOM 0 HB3 ASP B 177 14.066 5.811 2.100 1.00 1.18 H new ATOM 2247 N GLY B 178 11.003 6.624 3.059 1.00 0.89 N ATOM 2248 CA GLY B 178 10.361 7.917 3.208 1.00 0.87 C ATOM 2249 C GLY B 178 8.937 7.928 2.689 1.00 0.85 C ATOM 2250 O GLY B 178 8.158 7.011 2.951 1.00 0.99 O ATOM 0 H GLY B 178 10.536 5.988 2.412 1.00 0.89 H new ATOM 0 HA2 GLY B 178 10.361 8.199 4.261 1.00 0.87 H new ATOM 0 HA3 GLY B 178 10.943 8.670 2.676 1.00 0.87 H new ATOM 2254 N CYS B 179 8.603 8.976 1.944 1.00 0.78 N ATOM 2255 CA CYS B 179 7.270 9.121 1.373 1.00 0.79 C ATOM 2256 C CYS B 179 7.339 9.857 0.041 1.00 0.77 C ATOM 2257 O CYS B 179 8.294 10.583 -0.232 1.00 0.88 O ATOM 2258 CB CYS B 179 6.346 9.861 2.345 1.00 0.92 C ATOM 2259 SG CYS B 179 6.208 9.075 3.986 1.00 1.34 S ATOM 0 H CYS B 179 9.240 9.740 1.721 1.00 0.78 H new ATOM 0 HA CYS B 179 6.861 8.126 1.199 1.00 0.79 H new ATOM 0 HB2 CYS B 179 6.711 10.880 2.472 1.00 0.92 H new ATOM 0 HB3 CYS B 179 5.352 9.931 1.903 1.00 0.92 H new ATOM 2264 N HIS B 180 6.338 9.668 -0.808 1.00 0.70 N ATOM 2265 CA HIS B 180 6.339 10.333 -2.106 1.00 0.75 C ATOM 2266 C HIS B 180 4.932 10.425 -2.659 1.00 0.69 C ATOM 2267 O HIS B 180 4.077 9.609 -2.331 1.00 0.66 O ATOM 2268 CB HIS B 180 7.246 9.584 -3.087 1.00 0.89 C ATOM 2269 CG HIS B 180 7.281 8.106 -2.848 1.00 0.94 C ATOM 2270 ND1 HIS B 180 6.263 7.261 -3.225 1.00 1.60 N ATOM 2271 CD2 HIS B 180 8.206 7.329 -2.234 1.00 1.70 C ATOM 2272 CE1 HIS B 180 6.553 6.029 -2.849 1.00 2.03 C ATOM 2273 NE2 HIS B 180 7.729 6.041 -2.247 1.00 2.10 N ATOM 0 H HIS B 180 5.530 9.072 -0.628 1.00 0.70 H new ATOM 0 HA HIS B 180 6.725 11.344 -1.974 1.00 0.75 H new ATOM 0 HB2 HIS B 180 6.904 9.773 -4.105 1.00 0.89 H new ATOM 0 HB3 HIS B 180 8.258 9.982 -3.012 1.00 0.89 H new ATOM 0 HD1 HIS B 180 5.416 7.542 -3.718 1.00 1.60 H new ATOM 0 HD2 HIS B 180 9.144 7.661 -1.813 1.00 1.70 H new ATOM 0 HE1 HIS B 180 5.934 5.159 -3.007 1.00 2.03 H new ATOM 2282 N GLU B 181 4.690 11.424 -3.493 1.00 0.75 N ATOM 2283 CA GLU B 181 3.377 11.596 -4.082 1.00 0.77 C ATOM 2284 C GLU B 181 3.039 10.401 -4.953 1.00 0.73 C ATOM 2285 O GLU B 181 3.902 9.860 -5.646 1.00 0.94 O ATOM 2286 CB GLU B 181 3.318 12.879 -4.904 1.00 0.93 C ATOM 2287 CG GLU B 181 3.304 14.134 -4.054 1.00 1.69 C ATOM 2288 CD GLU B 181 4.664 14.795 -3.979 1.00 2.34 C ATOM 2289 OE1 GLU B 181 5.681 14.070 -4.006 1.00 3.06 O ATOM 2290 OE2 GLU B 181 4.713 16.039 -3.890 1.00 2.69 O ATOM 0 H GLU B 181 5.380 12.121 -3.774 1.00 0.75 H new ATOM 0 HA GLU B 181 2.644 11.670 -3.278 1.00 0.77 H new ATOM 0 HB2 GLU B 181 4.176 12.912 -5.575 1.00 0.93 H new ATOM 0 HB3 GLU B 181 2.425 12.861 -5.529 1.00 0.93 H new ATOM 0 HG2 GLU B 181 2.582 14.840 -4.465 1.00 1.69 H new ATOM 0 HG3 GLU B 181 2.968 13.884 -3.047 1.00 1.69 H new ATOM 2297 N ASP B 182 1.786 9.980 -4.903 1.00 0.77 N ATOM 2298 CA ASP B 182 1.345 8.830 -5.683 1.00 0.79 C ATOM 2299 C ASP B 182 -0.063 9.057 -6.255 1.00 0.97 C ATOM 2300 O ASP B 182 -0.916 9.653 -5.597 1.00 1.22 O ATOM 2301 CB ASP B 182 1.401 7.579 -4.812 1.00 0.90 C ATOM 2302 CG ASP B 182 0.206 7.462 -3.888 1.00 1.39 C ATOM 2303 OD1 ASP B 182 0.084 8.298 -2.965 1.00 2.06 O ATOM 2304 OD2 ASP B 182 -0.608 6.536 -4.089 1.00 1.88 O ATOM 0 H ASP B 182 1.058 10.413 -4.335 1.00 0.77 H new ATOM 0 HA ASP B 182 2.014 8.695 -6.533 1.00 0.79 H new ATOM 0 HB2 ASP B 182 1.450 6.697 -5.451 1.00 0.90 H new ATOM 0 HB3 ASP B 182 2.315 7.594 -4.219 1.00 0.90 H new ATOM 2309 N PRO B 183 -0.306 8.615 -7.510 1.00 1.15 N ATOM 2310 CA PRO B 183 -1.595 8.800 -8.202 1.00 1.41 C ATOM 2311 C PRO B 183 -2.733 7.923 -7.677 1.00 1.28 C ATOM 2312 O PRO B 183 -3.902 8.298 -7.779 1.00 1.41 O ATOM 2313 CB PRO B 183 -1.285 8.431 -9.661 1.00 1.79 C ATOM 2314 CG PRO B 183 0.200 8.309 -9.748 1.00 1.91 C ATOM 2315 CD PRO B 183 0.668 7.935 -8.375 1.00 1.41 C ATOM 0 HA PRO B 183 -1.955 9.818 -8.053 1.00 1.41 H new ATOM 0 HB2 PRO B 183 -1.770 7.495 -9.938 1.00 1.79 H new ATOM 0 HB3 PRO B 183 -1.654 9.196 -10.344 1.00 1.79 H new ATOM 0 HG2 PRO B 183 0.487 7.551 -10.477 1.00 1.91 H new ATOM 0 HG3 PRO B 183 0.650 9.248 -10.071 1.00 1.91 H new ATOM 0 HD2 PRO B 183 0.661 6.856 -8.224 1.00 1.41 H new ATOM 0 HD3 PRO B 183 1.686 8.276 -8.186 1.00 1.41 H new ATOM 2323 N ALA B 184 -2.403 6.768 -7.113 1.00 1.13 N ATOM 2324 CA ALA B 184 -3.423 5.883 -6.569 1.00 1.18 C ATOM 2325 C ALA B 184 -4.038 6.568 -5.376 1.00 1.22 C ATOM 2326 O ALA B 184 -5.257 6.686 -5.254 1.00 1.56 O ATOM 2327 CB ALA B 184 -2.834 4.532 -6.188 1.00 1.21 C ATOM 0 H ALA B 184 -1.447 6.425 -7.021 1.00 1.13 H new ATOM 0 HA ALA B 184 -4.187 5.686 -7.321 1.00 1.18 H new ATOM 0 HB1 ALA B 184 -3.620 3.893 -5.785 1.00 1.21 H new ATOM 0 HB2 ALA B 184 -2.401 4.062 -7.071 1.00 1.21 H new ATOM 0 HB3 ALA B 184 -2.059 4.672 -5.435 1.00 1.21 H new ATOM 2333 N CYS B 185 -3.159 7.080 -4.533 1.00 1.05 N ATOM 2334 CA CYS B 185 -3.558 7.839 -3.373 1.00 1.23 C ATOM 2335 C CYS B 185 -3.424 9.304 -3.716 1.00 1.50 C ATOM 2336 O CYS B 185 -2.454 9.943 -3.344 1.00 1.94 O ATOM 2337 CB CYS B 185 -2.699 7.495 -2.154 1.00 1.19 C ATOM 2338 SG CYS B 185 -3.320 6.105 -1.154 1.00 1.46 S ATOM 0 H CYS B 185 -2.150 6.978 -4.638 1.00 1.05 H new ATOM 0 HA CYS B 185 -4.588 7.596 -3.112 1.00 1.23 H new ATOM 0 HB2 CYS B 185 -1.690 7.259 -2.492 1.00 1.19 H new ATOM 0 HB3 CYS B 185 -2.624 8.377 -1.518 1.00 1.19 H new ATOM 2343 N ASP B 186 -4.389 9.814 -4.461 1.00 1.54 N ATOM 2344 CA ASP B 186 -4.379 11.210 -4.879 1.00 1.92 C ATOM 2345 C ASP B 186 -5.728 11.721 -5.410 1.00 1.82 C ATOM 2346 O ASP B 186 -5.800 12.868 -5.852 1.00 2.28 O ATOM 2347 CB ASP B 186 -3.362 11.426 -6.002 1.00 0.00 C ATOM 2348 CG ASP B 186 -3.021 12.889 -6.206 1.00 0.00 C ATOM 2349 OD1 ASP B 186 -3.613 13.740 -5.509 1.00 0.00 O ATOM 2350 OD2 ASP B 186 -2.162 13.185 -7.062 1.00 0.00 O ATOM 0 H ASP B 186 -5.194 9.282 -4.791 1.00 1.54 H new ATOM 0 HA ASP B 186 -4.128 11.763 -3.974 1.00 1.92 H new ATOM 0 HB2 ASP B 186 -2.451 10.873 -5.774 1.00 0.00 H new ATOM 0 HB3 ASP B 186 -3.759 11.016 -6.931 1.00 0.00 H new