USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 535 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.295) USER MOD Single : A 14 SER OG : rot 48:sc= 1.28 USER MOD Single : A 20 CYS SG : rot 180:sc= -2.37! USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.109) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -0.26 K(o=-0.26,f=-3!) USER MOD Single : A 35 SER OG : rot 180:sc= -0.113 USER MOD Single : A 39 THR OG1 : rot 84:sc= 0.654 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.497 K(o=-0.5,f=-4.3!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.681 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -111:sc=-0.00854 (180deg=-0.182) USER MOD ----------------------------------------------------------------- ATOM 136 N PRO A 9 1.646 17.094 2.701 1.00 0.00 N ATOM 137 CA PRO A 9 1.433 15.655 2.422 1.00 0.00 C ATOM 138 C PRO A 9 0.044 15.225 2.903 1.00 0.00 C ATOM 139 O PRO A 9 -0.376 15.567 3.992 1.00 0.00 O ATOM 140 CB PRO A 9 2.534 14.961 3.221 1.00 0.00 C ATOM 141 CG PRO A 9 2.876 15.911 4.324 1.00 0.00 C ATOM 142 CD PRO A 9 2.569 17.304 3.829 1.00 0.00 C ATOM 0 HA PRO A 9 1.477 15.410 1.361 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.191 14.005 3.617 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.403 14.754 2.596 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.297 15.685 5.219 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.928 15.823 4.595 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.111 17.912 4.610 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.474 17.822 3.511 1.00 0.00 H new ATOM 150 N LYS A 10 -0.669 14.482 2.095 1.00 0.00 N ATOM 151 CA LYS A 10 -2.035 14.031 2.495 1.00 0.00 C ATOM 152 C LYS A 10 -1.946 13.008 3.631 1.00 0.00 C ATOM 153 O LYS A 10 -0.912 12.843 4.249 1.00 0.00 O ATOM 154 CB LYS A 10 -2.640 13.395 1.237 1.00 0.00 C ATOM 155 CG LYS A 10 -1.759 12.231 0.753 1.00 0.00 C ATOM 156 CD LYS A 10 -1.169 12.558 -0.622 1.00 0.00 C ATOM 157 CE LYS A 10 -0.029 11.587 -0.934 1.00 0.00 C ATOM 158 NZ LYS A 10 -0.694 10.272 -1.154 1.00 0.00 N ATOM 0 H LYS A 10 -0.363 14.168 1.174 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.646 14.856 2.861 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.646 13.034 1.451 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.731 14.144 0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.957 12.049 1.468 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.349 11.316 0.697 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.942 12.486 -1.387 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.801 13.584 -0.637 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.527 11.901 -1.817 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.683 11.537 -0.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.034 9.625 -1.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.975 9.868 -0.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.538 10.405 -1.748 1.00 0.00 H new ATOM 172 N ARG A 11 -3.026 12.320 3.906 1.00 0.00 N ATOM 173 CA ARG A 11 -3.017 11.303 5.004 1.00 0.00 C ATOM 174 C ARG A 11 -1.943 10.235 4.737 1.00 0.00 C ATOM 175 O ARG A 11 -1.689 9.899 3.598 1.00 0.00 O ATOM 176 CB ARG A 11 -4.410 10.669 4.977 1.00 0.00 C ATOM 177 CG ARG A 11 -5.352 11.462 5.882 1.00 0.00 C ATOM 178 CD ARG A 11 -5.944 12.636 5.099 1.00 0.00 C ATOM 179 NE ARG A 11 -7.257 12.906 5.744 1.00 0.00 N ATOM 180 CZ ARG A 11 -8.257 13.348 5.031 1.00 0.00 C ATOM 181 NH1 ARG A 11 -8.713 12.637 4.036 1.00 0.00 N ATOM 182 NH2 ARG A 11 -8.800 14.501 5.313 1.00 0.00 N ATOM 0 H ARG A 11 -3.916 12.419 3.417 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.789 11.752 5.971 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.795 10.656 3.957 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.355 9.633 5.311 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.150 10.816 6.249 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.812 11.829 6.755 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.294 13.510 5.146 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.066 12.386 4.045 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.376 12.746 6.744 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.288 11.736 3.816 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.494 12.982 3.479 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.443 15.056 6.090 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.581 14.847 4.756 1.00 0.00 H new ATOM 196 N PRO A 12 -1.344 9.727 5.794 1.00 0.00 N ATOM 197 CA PRO A 12 -0.300 8.689 5.630 1.00 0.00 C ATOM 198 C PRO A 12 -0.949 7.343 5.260 1.00 0.00 C ATOM 199 O PRO A 12 -1.824 6.879 5.965 1.00 0.00 O ATOM 200 CB PRO A 12 0.357 8.613 7.005 1.00 0.00 C ATOM 201 CG PRO A 12 -0.682 9.098 7.961 1.00 0.00 C ATOM 202 CD PRO A 12 -1.569 10.057 7.212 1.00 0.00 C ATOM 0 HA PRO A 12 0.414 8.918 4.839 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.663 7.594 7.240 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.253 9.233 7.049 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.263 8.263 8.352 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.218 9.591 8.815 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.616 9.930 7.489 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.306 11.093 7.426 1.00 0.00 H new ATOM 210 N PRO A 13 -0.514 6.752 4.166 1.00 0.00 N ATOM 211 CA PRO A 13 -1.090 5.459 3.738 1.00 0.00 C ATOM 212 C PRO A 13 -0.432 4.309 4.503 1.00 0.00 C ATOM 213 O PRO A 13 0.498 4.513 5.262 1.00 0.00 O ATOM 214 CB PRO A 13 -0.755 5.391 2.253 1.00 0.00 C ATOM 215 CG PRO A 13 0.455 6.259 2.071 1.00 0.00 C ATOM 216 CD PRO A 13 0.530 7.212 3.240 1.00 0.00 C ATOM 0 HA PRO A 13 -2.160 5.379 3.929 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.552 4.366 1.944 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.588 5.748 1.647 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.357 5.649 2.019 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.390 6.811 1.134 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.514 7.187 3.709 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.354 8.240 2.924 1.00 0.00 H new ATOM 224 N SER A 14 -0.908 3.105 4.311 1.00 0.00 N ATOM 225 CA SER A 14 -0.313 1.936 5.027 1.00 0.00 C ATOM 226 C SER A 14 -0.855 0.624 4.454 1.00 0.00 C ATOM 227 O SER A 14 -1.604 -0.085 5.100 1.00 0.00 O ATOM 228 CB SER A 14 -0.743 2.104 6.486 1.00 0.00 C ATOM 229 OG SER A 14 0.293 2.756 7.208 1.00 0.00 O ATOM 0 H SER A 14 -1.684 2.881 3.688 1.00 0.00 H new ATOM 0 HA SER A 14 0.771 1.899 4.922 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.663 2.686 6.541 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.954 1.131 6.929 1.00 0.00 H new ATOM 0 HG SER A 14 0.591 3.546 6.711 1.00 0.00 H new ATOM 235 N ALA A 15 -0.487 0.290 3.237 1.00 0.00 N ATOM 236 CA ALA A 15 -0.972 -0.977 2.590 1.00 0.00 C ATOM 237 C ALA A 15 -2.479 -0.903 2.324 1.00 0.00 C ATOM 238 O ALA A 15 -2.896 -0.694 1.201 1.00 0.00 O ATOM 239 CB ALA A 15 -0.632 -2.132 3.549 1.00 0.00 C ATOM 0 H ALA A 15 0.138 0.849 2.656 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.489 -1.132 1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.968 -3.075 3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.446 -2.169 3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.133 -1.972 4.504 1.00 0.00 H new ATOM 245 N PHE A 16 -3.302 -1.089 3.334 1.00 0.00 N ATOM 246 CA PHE A 16 -4.793 -1.042 3.127 1.00 0.00 C ATOM 247 C PHE A 16 -5.209 0.189 2.313 1.00 0.00 C ATOM 248 O PHE A 16 -5.969 0.087 1.367 1.00 0.00 O ATOM 249 CB PHE A 16 -5.381 -0.959 4.538 1.00 0.00 C ATOM 250 CG PHE A 16 -6.814 -1.431 4.519 1.00 0.00 C ATOM 251 CD1 PHE A 16 -7.785 -0.704 3.817 1.00 0.00 C ATOM 252 CD2 PHE A 16 -7.175 -2.598 5.204 1.00 0.00 C ATOM 253 CE1 PHE A 16 -9.113 -1.143 3.800 1.00 0.00 C ATOM 254 CE2 PHE A 16 -8.505 -3.036 5.189 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.473 -2.309 4.486 1.00 0.00 C ATOM 0 H PHE A 16 -3.007 -1.271 4.293 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.145 -1.911 2.571 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.795 -1.571 5.223 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.330 0.066 4.904 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.508 0.196 3.289 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.427 -3.160 5.744 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.860 -0.583 3.258 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -8.784 -3.934 5.720 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.498 -2.648 4.473 1.00 0.00 H new ATOM 265 N PHE A 17 -4.714 1.344 2.673 1.00 0.00 N ATOM 266 CA PHE A 17 -5.076 2.582 1.919 1.00 0.00 C ATOM 267 C PHE A 17 -4.606 2.463 0.467 1.00 0.00 C ATOM 268 O PHE A 17 -5.202 3.027 -0.432 1.00 0.00 O ATOM 269 CB PHE A 17 -4.341 3.722 2.632 1.00 0.00 C ATOM 270 CG PHE A 17 -5.318 4.516 3.468 1.00 0.00 C ATOM 271 CD1 PHE A 17 -6.283 5.317 2.844 1.00 0.00 C ATOM 272 CD2 PHE A 17 -5.259 4.449 4.864 1.00 0.00 C ATOM 273 CE1 PHE A 17 -7.189 6.051 3.619 1.00 0.00 C ATOM 274 CE2 PHE A 17 -6.166 5.185 5.638 1.00 0.00 C ATOM 275 CZ PHE A 17 -7.130 5.986 5.015 1.00 0.00 C ATOM 0 H PHE A 17 -4.075 1.484 3.456 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.152 2.752 1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.551 3.318 3.265 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.862 4.372 1.900 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.328 5.368 1.766 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.515 3.831 5.345 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.934 6.668 3.139 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.121 5.134 6.716 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.828 6.554 5.612 1.00 0.00 H new ATOM 285 N LEU A 18 -3.541 1.738 0.232 1.00 0.00 N ATOM 286 CA LEU A 18 -3.025 1.583 -1.165 1.00 0.00 C ATOM 287 C LEU A 18 -3.795 0.476 -1.887 1.00 0.00 C ATOM 288 O LEU A 18 -3.954 0.503 -3.092 1.00 0.00 O ATOM 289 CB LEU A 18 -1.540 1.184 -1.038 1.00 0.00 C ATOM 290 CG LEU A 18 -0.795 2.067 -0.019 1.00 0.00 C ATOM 291 CD1 LEU A 18 0.694 1.719 -0.046 1.00 0.00 C ATOM 292 CD2 LEU A 18 -0.970 3.550 -0.373 1.00 0.00 C ATOM 0 H LEU A 18 -3.005 1.246 0.947 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.145 2.504 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.469 0.140 -0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.057 1.266 -2.012 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.206 1.886 0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.226 2.341 0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.827 0.669 0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.092 1.899 -1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.439 4.163 0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.566 3.737 -1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.030 3.805 -0.358 1.00 0.00 H new ATOM 304 N PHE A 19 -4.265 -0.503 -1.156 1.00 0.00 N ATOM 305 CA PHE A 19 -5.019 -1.630 -1.789 1.00 0.00 C ATOM 306 C PHE A 19 -6.450 -1.198 -2.120 1.00 0.00 C ATOM 307 O PHE A 19 -6.896 -1.317 -3.245 1.00 0.00 O ATOM 308 CB PHE A 19 -5.022 -2.740 -0.735 1.00 0.00 C ATOM 309 CG PHE A 19 -5.688 -3.975 -1.294 1.00 0.00 C ATOM 310 CD1 PHE A 19 -7.076 -4.127 -1.195 1.00 0.00 C ATOM 311 CD2 PHE A 19 -4.916 -4.969 -1.907 1.00 0.00 C ATOM 312 CE1 PHE A 19 -7.692 -5.274 -1.709 1.00 0.00 C ATOM 313 CE2 PHE A 19 -5.533 -6.115 -2.421 1.00 0.00 C ATOM 314 CZ PHE A 19 -6.921 -6.268 -2.323 1.00 0.00 C ATOM 0 H PHE A 19 -4.159 -0.571 -0.144 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.566 -1.955 -2.726 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.000 -2.971 -0.434 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.549 -2.404 0.158 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.671 -3.360 -0.722 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.845 -4.851 -1.983 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.763 -5.392 -1.632 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.938 -6.882 -2.894 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.397 -7.152 -2.721 1.00 0.00 H new ATOM 324 N CYS A 20 -7.172 -0.705 -1.146 1.00 0.00 N ATOM 325 CA CYS A 20 -8.582 -0.268 -1.395 1.00 0.00 C ATOM 326 C CYS A 20 -8.629 0.813 -2.480 1.00 0.00 C ATOM 327 O CYS A 20 -9.381 0.716 -3.430 1.00 0.00 O ATOM 328 CB CYS A 20 -9.071 0.295 -0.059 1.00 0.00 C ATOM 329 SG CYS A 20 -10.880 0.352 -0.054 1.00 0.00 S ATOM 0 H CYS A 20 -6.846 -0.586 -0.187 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.205 -1.091 -1.744 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.714 -0.326 0.762 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.665 1.294 0.097 1.00 0.00 H new ATOM 0 HG CYS A 20 -11.296 0.828 1.082 1.00 0.00 H new ATOM 335 N SER A 21 -7.833 1.842 -2.340 1.00 0.00 N ATOM 336 CA SER A 21 -7.829 2.939 -3.360 1.00 0.00 C ATOM 337 C SER A 21 -7.492 2.391 -4.752 1.00 0.00 C ATOM 338 O SER A 21 -7.804 3.005 -5.755 1.00 0.00 O ATOM 339 CB SER A 21 -6.745 3.913 -2.897 1.00 0.00 C ATOM 340 OG SER A 21 -6.837 5.113 -3.653 1.00 0.00 O ATOM 0 H SER A 21 -7.184 1.972 -1.564 1.00 0.00 H new ATOM 0 HA SER A 21 -8.806 3.416 -3.440 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.863 4.129 -1.835 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.759 3.465 -3.023 1.00 0.00 H new ATOM 0 HG SER A 21 -6.144 5.740 -3.357 1.00 0.00 H new ATOM 346 N GLU A 22 -6.854 1.248 -4.823 1.00 0.00 N ATOM 347 CA GLU A 22 -6.493 0.670 -6.153 1.00 0.00 C ATOM 348 C GLU A 22 -7.463 -0.450 -6.547 1.00 0.00 C ATOM 349 O GLU A 22 -7.617 -0.758 -7.714 1.00 0.00 O ATOM 350 CB GLU A 22 -5.083 0.114 -5.970 1.00 0.00 C ATOM 351 CG GLU A 22 -4.057 1.208 -6.270 1.00 0.00 C ATOM 352 CD GLU A 22 -4.124 1.580 -7.753 1.00 0.00 C ATOM 353 OE1 GLU A 22 -3.850 0.719 -8.573 1.00 0.00 O ATOM 354 OE2 GLU A 22 -4.449 2.720 -8.043 1.00 0.00 O ATOM 0 H GLU A 22 -6.568 0.691 -4.017 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.545 1.416 -6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.954 -0.250 -4.951 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.928 -0.736 -6.634 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.256 2.086 -5.655 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.055 0.861 -6.016 1.00 0.00 H new ATOM 361 N TYR A 23 -8.108 -1.065 -5.586 1.00 0.00 N ATOM 362 CA TYR A 23 -9.060 -2.171 -5.912 1.00 0.00 C ATOM 363 C TYR A 23 -10.453 -1.613 -6.218 1.00 0.00 C ATOM 364 O TYR A 23 -11.171 -2.147 -7.040 1.00 0.00 O ATOM 365 CB TYR A 23 -9.087 -3.057 -4.664 1.00 0.00 C ATOM 366 CG TYR A 23 -8.188 -4.251 -4.876 1.00 0.00 C ATOM 367 CD1 TYR A 23 -6.808 -4.069 -5.030 1.00 0.00 C ATOM 368 CD2 TYR A 23 -8.733 -5.540 -4.929 1.00 0.00 C ATOM 369 CE1 TYR A 23 -5.975 -5.174 -5.236 1.00 0.00 C ATOM 370 CE2 TYR A 23 -7.899 -6.645 -5.134 1.00 0.00 C ATOM 371 CZ TYR A 23 -6.520 -6.462 -5.287 1.00 0.00 C ATOM 372 OH TYR A 23 -5.698 -7.552 -5.492 1.00 0.00 O ATOM 0 H TYR A 23 -8.017 -0.850 -4.593 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.752 -2.728 -6.797 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.756 -2.489 -3.794 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -10.106 -3.387 -4.461 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.387 -3.075 -4.990 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.797 -5.681 -4.812 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.911 -5.033 -5.356 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -8.320 -7.639 -5.174 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.236 -8.371 -5.499 1.00 0.00 H new ATOM 382 N ARG A 24 -10.843 -0.544 -5.563 1.00 0.00 N ATOM 383 CA ARG A 24 -12.192 0.056 -5.814 1.00 0.00 C ATOM 384 C ARG A 24 -12.470 0.232 -7.318 1.00 0.00 C ATOM 385 O ARG A 24 -13.488 -0.231 -7.784 1.00 0.00 O ATOM 386 CB ARG A 24 -12.177 1.412 -5.116 1.00 0.00 C ATOM 387 CG ARG A 24 -12.209 1.210 -3.599 1.00 0.00 C ATOM 388 CD ARG A 24 -11.679 2.467 -2.901 1.00 0.00 C ATOM 389 NE ARG A 24 -12.641 2.728 -1.794 1.00 0.00 N ATOM 390 CZ ARG A 24 -13.591 3.609 -1.950 1.00 0.00 C ATOM 391 NH1 ARG A 24 -14.413 3.513 -2.959 1.00 0.00 N ATOM 392 NH2 ARG A 24 -13.720 4.588 -1.096 1.00 0.00 N ATOM 0 H ARG A 24 -10.282 -0.060 -4.862 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.980 -0.595 -5.434 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.284 1.968 -5.400 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.036 2.004 -5.432 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.228 1.002 -3.271 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.603 0.347 -3.324 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.670 2.310 -2.519 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.631 3.311 -3.590 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.557 2.218 -0.914 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.313 2.749 -3.627 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.155 4.202 -3.080 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.078 4.664 -0.307 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.463 5.277 -1.218 1.00 0.00 H new ATOM 406 N PRO A 25 -11.564 0.875 -8.045 1.00 0.00 N ATOM 407 CA PRO A 25 -11.775 1.073 -9.509 1.00 0.00 C ATOM 408 C PRO A 25 -11.889 -0.282 -10.207 1.00 0.00 C ATOM 409 O PRO A 25 -12.564 -0.416 -11.212 1.00 0.00 O ATOM 410 CB PRO A 25 -10.539 1.857 -9.953 1.00 0.00 C ATOM 411 CG PRO A 25 -9.517 1.558 -8.912 1.00 0.00 C ATOM 412 CD PRO A 25 -10.277 1.455 -7.617 1.00 0.00 C ATOM 0 HA PRO A 25 -12.694 1.605 -9.755 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.203 1.543 -10.941 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.746 2.926 -10.011 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.992 0.629 -9.133 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.765 2.345 -8.864 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.765 0.818 -6.896 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.408 2.429 -7.145 1.00 0.00 H new ATOM 420 N LYS A 26 -11.269 -1.292 -9.657 1.00 0.00 N ATOM 421 CA LYS A 26 -11.376 -2.654 -10.258 1.00 0.00 C ATOM 422 C LYS A 26 -12.800 -3.158 -10.046 1.00 0.00 C ATOM 423 O LYS A 26 -13.441 -3.664 -10.945 1.00 0.00 O ATOM 424 CB LYS A 26 -10.398 -3.518 -9.469 1.00 0.00 C ATOM 425 CG LYS A 26 -10.091 -4.793 -10.256 1.00 0.00 C ATOM 426 CD LYS A 26 -11.243 -5.785 -10.091 1.00 0.00 C ATOM 427 CE LYS A 26 -10.765 -7.191 -10.463 1.00 0.00 C ATOM 428 NZ LYS A 26 -10.858 -7.246 -11.948 1.00 0.00 N ATOM 0 H LYS A 26 -10.693 -1.233 -8.817 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.154 -2.670 -11.325 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.478 -2.964 -9.280 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.822 -3.771 -8.498 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.949 -4.557 -11.311 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.161 -5.237 -9.901 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.603 -5.772 -9.062 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.080 -5.495 -10.725 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.743 -7.364 -10.124 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.388 -7.956 -9.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.547 -8.181 -12.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.843 -7.085 -12.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.249 -6.511 -12.361 1.00 0.00 H new ATOM 442 N ILE A 27 -13.291 -3.008 -8.842 1.00 0.00 N ATOM 443 CA ILE A 27 -14.680 -3.458 -8.515 1.00 0.00 C ATOM 444 C ILE A 27 -15.685 -2.786 -9.457 1.00 0.00 C ATOM 445 O ILE A 27 -16.729 -3.330 -9.751 1.00 0.00 O ATOM 446 CB ILE A 27 -14.928 -2.973 -7.071 1.00 0.00 C ATOM 447 CG1 ILE A 27 -13.938 -3.639 -6.098 1.00 0.00 C ATOM 448 CG2 ILE A 27 -16.366 -3.297 -6.640 1.00 0.00 C ATOM 449 CD1 ILE A 27 -14.154 -5.153 -6.070 1.00 0.00 C ATOM 0 H ILE A 27 -12.784 -2.589 -8.063 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.795 -4.537 -8.620 1.00 0.00 H new ATOM 0 HB ILE A 27 -14.779 -1.894 -7.045 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.915 -3.417 -6.402 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.070 -3.228 -5.097 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.527 -2.949 -5.620 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.067 -2.798 -7.308 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.526 -4.374 -6.686 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -13.446 -5.609 -5.377 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -15.171 -5.369 -5.744 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.998 -5.561 -7.069 1.00 0.00 H new ATOM 461 N LYS A 28 -15.388 -1.588 -9.891 1.00 0.00 N ATOM 462 CA LYS A 28 -16.347 -0.850 -10.769 1.00 0.00 C ATOM 463 C LYS A 28 -16.364 -1.460 -12.175 1.00 0.00 C ATOM 464 O LYS A 28 -17.398 -1.541 -12.809 1.00 0.00 O ATOM 465 CB LYS A 28 -15.873 0.625 -10.832 1.00 0.00 C ATOM 466 CG LYS A 28 -15.308 1.160 -9.492 1.00 0.00 C ATOM 467 CD LYS A 28 -16.076 0.656 -8.254 1.00 0.00 C ATOM 468 CE LYS A 28 -17.568 0.974 -8.395 1.00 0.00 C ATOM 469 NZ LYS A 28 -17.684 2.425 -8.085 1.00 0.00 N ATOM 0 H LYS A 28 -14.525 -1.089 -9.676 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.359 -0.914 -10.368 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.106 0.718 -11.601 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.710 1.253 -11.139 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.262 0.866 -9.405 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.333 2.250 -9.506 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.934 -0.419 -8.141 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.679 1.126 -7.354 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.925 0.756 -9.402 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.166 0.375 -7.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.312 2.556 -7.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.743 2.809 -7.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.078 2.925 -8.907 1.00 0.00 H new ATOM 483 N SER A 29 -15.227 -1.882 -12.665 1.00 0.00 N ATOM 484 CA SER A 29 -15.173 -2.481 -14.037 1.00 0.00 C ATOM 485 C SER A 29 -16.059 -3.730 -14.117 1.00 0.00 C ATOM 486 O SER A 29 -16.505 -4.112 -15.184 1.00 0.00 O ATOM 487 CB SER A 29 -13.707 -2.854 -14.256 1.00 0.00 C ATOM 488 OG SER A 29 -13.515 -3.226 -15.615 1.00 0.00 O ATOM 0 H SER A 29 -14.333 -1.839 -12.176 1.00 0.00 H new ATOM 0 HA SER A 29 -15.536 -1.788 -14.795 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.064 -2.011 -14.003 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.427 -3.677 -13.599 1.00 0.00 H new ATOM 0 HG SER A 29 -12.575 -3.464 -15.759 1.00 0.00 H new ATOM 494 N GLU A 30 -16.309 -4.370 -13.003 1.00 0.00 N ATOM 495 CA GLU A 30 -17.160 -5.601 -13.015 1.00 0.00 C ATOM 496 C GLU A 30 -18.435 -5.401 -12.185 1.00 0.00 C ATOM 497 O GLU A 30 -19.387 -6.146 -12.321 1.00 0.00 O ATOM 498 CB GLU A 30 -16.279 -6.688 -12.394 1.00 0.00 C ATOM 499 CG GLU A 30 -15.708 -7.584 -13.497 1.00 0.00 C ATOM 500 CD GLU A 30 -16.791 -8.546 -13.987 1.00 0.00 C ATOM 501 OE1 GLU A 30 -17.074 -9.499 -13.279 1.00 0.00 O ATOM 502 OE2 GLU A 30 -17.320 -8.314 -15.062 1.00 0.00 O ATOM 0 H GLU A 30 -15.961 -4.094 -12.085 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.490 -5.857 -14.022 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.468 -6.232 -11.827 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.862 -7.285 -11.693 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.347 -6.974 -14.325 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.853 -8.145 -13.118 1.00 0.00 H new ATOM 509 N HIS A 31 -18.467 -4.403 -11.335 1.00 0.00 N ATOM 510 CA HIS A 31 -19.690 -4.163 -10.507 1.00 0.00 C ATOM 511 C HIS A 31 -20.135 -2.700 -10.660 1.00 0.00 C ATOM 512 O HIS A 31 -19.634 -1.834 -9.972 1.00 0.00 O ATOM 513 CB HIS A 31 -19.299 -4.452 -9.049 1.00 0.00 C ATOM 514 CG HIS A 31 -18.617 -5.793 -8.939 1.00 0.00 C ATOM 515 ND1 HIS A 31 -17.238 -5.917 -8.926 1.00 0.00 N ATOM 516 CD2 HIS A 31 -19.111 -7.070 -8.834 1.00 0.00 C ATOM 517 CE1 HIS A 31 -16.950 -7.226 -8.817 1.00 0.00 C ATOM 518 NE2 HIS A 31 -18.055 -7.974 -8.757 1.00 0.00 N ATOM 0 H HIS A 31 -17.702 -3.747 -11.179 1.00 0.00 H new ATOM 0 HA HIS A 31 -20.517 -4.801 -10.820 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.635 -3.669 -8.683 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -20.188 -4.437 -8.418 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -16.563 -5.154 -8.988 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -20.158 -7.333 -8.814 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -15.947 -7.624 -8.782 1.00 0.00 H new ATOM 526 N PRO A 32 -21.061 -2.465 -11.564 1.00 0.00 N ATOM 527 CA PRO A 32 -21.552 -1.084 -11.790 1.00 0.00 C ATOM 528 C PRO A 32 -22.481 -0.659 -10.654 1.00 0.00 C ATOM 529 O PRO A 32 -22.488 0.485 -10.240 1.00 0.00 O ATOM 530 CB PRO A 32 -22.309 -1.181 -13.110 1.00 0.00 C ATOM 531 CG PRO A 32 -22.717 -2.616 -13.233 1.00 0.00 C ATOM 532 CD PRO A 32 -21.732 -3.437 -12.443 1.00 0.00 C ATOM 0 HA PRO A 32 -20.753 -0.343 -11.821 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.179 -0.524 -13.113 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -21.679 -0.879 -13.947 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -23.728 -2.761 -12.853 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -22.722 -2.925 -14.278 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -22.235 -4.213 -11.866 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.019 -3.939 -13.097 1.00 0.00 H new ATOM 540 N GLY A 33 -23.259 -1.576 -10.148 1.00 0.00 N ATOM 541 CA GLY A 33 -24.191 -1.245 -9.034 1.00 0.00 C ATOM 542 C GLY A 33 -23.415 -1.117 -7.715 1.00 0.00 C ATOM 543 O GLY A 33 -23.906 -0.551 -6.761 1.00 0.00 O ATOM 0 H GLY A 33 -23.289 -2.546 -10.461 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -24.711 -0.312 -9.250 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -24.951 -2.021 -8.943 1.00 0.00 H new ATOM 547 N LEU A 34 -22.215 -1.652 -7.653 1.00 0.00 N ATOM 548 CA LEU A 34 -21.399 -1.577 -6.392 1.00 0.00 C ATOM 549 C LEU A 34 -21.257 -0.127 -5.902 1.00 0.00 C ATOM 550 O LEU A 34 -20.311 0.560 -6.240 1.00 0.00 O ATOM 551 CB LEU A 34 -20.019 -2.151 -6.773 1.00 0.00 C ATOM 552 CG LEU A 34 -19.689 -3.394 -5.927 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.485 -2.986 -4.465 1.00 0.00 C ATOM 554 CD2 LEU A 34 -20.824 -4.428 -6.025 1.00 0.00 C ATOM 0 H LEU A 34 -21.763 -2.140 -8.426 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.870 -2.130 -5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -20.009 -2.413 -7.831 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.251 -1.391 -6.626 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.773 -3.844 -6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.252 -3.869 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.662 -2.275 -4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.396 -2.523 -4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.575 -5.300 -5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.751 -3.986 -5.659 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -20.952 -4.731 -7.064 1.00 0.00 H new ATOM 566 N SER A 35 -22.189 0.335 -5.106 1.00 0.00 N ATOM 567 CA SER A 35 -22.113 1.735 -4.585 1.00 0.00 C ATOM 568 C SER A 35 -20.981 1.845 -3.563 1.00 0.00 C ATOM 569 O SER A 35 -20.351 0.862 -3.223 1.00 0.00 O ATOM 570 CB SER A 35 -23.466 1.991 -3.920 1.00 0.00 C ATOM 571 OG SER A 35 -23.492 3.316 -3.405 1.00 0.00 O ATOM 0 H SER A 35 -23.001 -0.198 -4.794 1.00 0.00 H new ATOM 0 HA SER A 35 -21.909 2.461 -5.372 1.00 0.00 H new ATOM 0 HB2 SER A 35 -24.271 1.853 -4.642 1.00 0.00 H new ATOM 0 HB3 SER A 35 -23.631 1.273 -3.117 1.00 0.00 H new ATOM 0 HG SER A 35 -24.358 3.485 -2.979 1.00 0.00 H new ATOM 577 N ILE A 36 -20.719 3.029 -3.063 1.00 0.00 N ATOM 578 CA ILE A 36 -19.621 3.194 -2.057 1.00 0.00 C ATOM 579 C ILE A 36 -19.918 2.323 -0.825 1.00 0.00 C ATOM 580 O ILE A 36 -19.018 1.790 -0.204 1.00 0.00 O ATOM 581 CB ILE A 36 -19.599 4.698 -1.709 1.00 0.00 C ATOM 582 CG1 ILE A 36 -18.879 5.461 -2.827 1.00 0.00 C ATOM 583 CG2 ILE A 36 -18.844 4.938 -0.391 1.00 0.00 C ATOM 584 CD1 ILE A 36 -19.841 5.724 -3.986 1.00 0.00 C ATOM 0 H ILE A 36 -21.216 3.886 -3.307 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.649 2.877 -2.436 1.00 0.00 H new ATOM 0 HB ILE A 36 -20.627 5.046 -1.603 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -18.493 6.405 -2.443 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -18.023 4.885 -3.178 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -18.840 6.004 -0.163 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -19.339 4.397 0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -17.818 4.584 -0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -19.320 6.266 -4.775 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -20.206 4.775 -4.378 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -20.683 6.318 -3.632 1.00 0.00 H new ATOM 596 N GLY A 37 -21.173 2.171 -0.477 1.00 0.00 N ATOM 597 CA GLY A 37 -21.529 1.330 0.706 1.00 0.00 C ATOM 598 C GLY A 37 -20.991 -0.085 0.494 1.00 0.00 C ATOM 599 O GLY A 37 -20.192 -0.577 1.266 1.00 0.00 O ATOM 0 H GLY A 37 -21.965 2.593 -0.962 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -21.107 1.761 1.614 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -22.611 1.305 0.838 1.00 0.00 H new ATOM 603 N ASP A 38 -21.411 -0.728 -0.563 1.00 0.00 N ATOM 604 CA ASP A 38 -20.916 -2.107 -0.850 1.00 0.00 C ATOM 605 C ASP A 38 -19.445 -2.060 -1.270 1.00 0.00 C ATOM 606 O ASP A 38 -18.668 -2.906 -0.895 1.00 0.00 O ATOM 607 CB ASP A 38 -21.789 -2.616 -2.000 1.00 0.00 C ATOM 608 CG ASP A 38 -21.895 -4.141 -1.925 1.00 0.00 C ATOM 609 OD1 ASP A 38 -22.133 -4.645 -0.839 1.00 0.00 O ATOM 610 OD2 ASP A 38 -21.735 -4.777 -2.952 1.00 0.00 O ATOM 0 H ASP A 38 -22.077 -0.358 -1.241 1.00 0.00 H new ATOM 0 HA ASP A 38 -20.978 -2.758 0.022 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -22.781 -2.169 -1.943 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -21.360 -2.317 -2.956 1.00 0.00 H new ATOM 615 N THR A 39 -19.050 -1.062 -2.020 1.00 0.00 N ATOM 616 CA THR A 39 -17.616 -0.967 -2.441 1.00 0.00 C ATOM 617 C THR A 39 -16.715 -0.829 -1.212 1.00 0.00 C ATOM 618 O THR A 39 -15.583 -1.276 -1.210 1.00 0.00 O ATOM 619 CB THR A 39 -17.524 0.278 -3.330 1.00 0.00 C ATOM 620 OG1 THR A 39 -18.357 0.106 -4.469 1.00 0.00 O ATOM 621 CG2 THR A 39 -16.075 0.478 -3.789 1.00 0.00 C ATOM 0 H THR A 39 -19.653 -0.312 -2.358 1.00 0.00 H new ATOM 0 HA THR A 39 -17.288 -1.858 -2.976 1.00 0.00 H new ATOM 0 HB THR A 39 -17.849 1.151 -2.764 1.00 0.00 H new ATOM 0 HG1 THR A 39 -19.278 0.351 -4.241 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.013 1.364 -4.421 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.432 0.607 -2.918 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.749 -0.395 -4.355 1.00 0.00 H new ATOM 629 N ALA A 40 -17.209 -0.213 -0.171 1.00 0.00 N ATOM 630 CA ALA A 40 -16.384 -0.040 1.060 1.00 0.00 C ATOM 631 C ALA A 40 -16.302 -1.357 1.837 1.00 0.00 C ATOM 632 O ALA A 40 -15.255 -1.730 2.331 1.00 0.00 O ATOM 633 CB ALA A 40 -17.114 1.022 1.886 1.00 0.00 C ATOM 0 H ALA A 40 -18.150 0.178 -0.120 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.361 0.256 0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.566 1.204 2.810 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.178 1.947 1.314 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -18.119 0.672 2.123 1.00 0.00 H new ATOM 639 N LYS A 41 -17.405 -2.051 1.962 1.00 0.00 N ATOM 640 CA LYS A 41 -17.403 -3.337 2.730 1.00 0.00 C ATOM 641 C LYS A 41 -17.075 -4.544 1.832 1.00 0.00 C ATOM 642 O LYS A 41 -16.795 -5.619 2.330 1.00 0.00 O ATOM 643 CB LYS A 41 -18.812 -3.457 3.330 1.00 0.00 C ATOM 644 CG LYS A 41 -19.851 -3.660 2.223 1.00 0.00 C ATOM 645 CD LYS A 41 -21.259 -3.517 2.805 1.00 0.00 C ATOM 646 CE LYS A 41 -21.534 -2.047 3.142 1.00 0.00 C ATOM 647 NZ LYS A 41 -22.262 -2.082 4.441 1.00 0.00 N ATOM 0 H LYS A 41 -18.307 -1.785 1.567 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.632 -3.333 3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.847 -4.294 4.027 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -19.049 -2.558 3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -19.699 -2.928 1.430 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.731 -4.646 1.774 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.997 -3.880 2.090 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -21.356 -4.130 3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -20.607 -1.480 3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -22.132 -1.569 2.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -22.486 -1.111 4.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -23.144 -2.623 4.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -21.665 -2.536 5.161 1.00 0.00 H new ATOM 661 N LYS A 42 -17.096 -4.390 0.528 1.00 0.00 N ATOM 662 CA LYS A 42 -16.775 -5.545 -0.372 1.00 0.00 C ATOM 663 C LYS A 42 -15.265 -5.607 -0.655 1.00 0.00 C ATOM 664 O LYS A 42 -14.809 -6.418 -1.438 1.00 0.00 O ATOM 665 CB LYS A 42 -17.555 -5.263 -1.660 1.00 0.00 C ATOM 666 CG LYS A 42 -17.619 -6.511 -2.536 1.00 0.00 C ATOM 667 CD LYS A 42 -18.696 -7.454 -1.989 1.00 0.00 C ATOM 668 CE LYS A 42 -18.035 -8.623 -1.251 1.00 0.00 C ATOM 669 NZ LYS A 42 -18.378 -9.835 -2.048 1.00 0.00 N ATOM 0 H LYS A 42 -17.321 -3.518 0.050 1.00 0.00 H new ATOM 0 HA LYS A 42 -17.046 -6.503 0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -18.564 -4.933 -1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -17.078 -4.451 -2.209 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.848 -6.236 -3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.651 -7.012 -2.547 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -19.357 -6.912 -1.313 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -19.313 -7.829 -2.806 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.955 -8.487 -1.186 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -18.408 -8.705 -0.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.958 -10.675 -1.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -19.412 -9.944 -2.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.004 -9.733 -3.013 1.00 0.00 H new ATOM 683 N LEU A 43 -14.483 -4.766 -0.015 1.00 0.00 N ATOM 684 CA LEU A 43 -13.010 -4.786 -0.239 1.00 0.00 C ATOM 685 C LEU A 43 -12.313 -5.368 0.992 1.00 0.00 C ATOM 686 O LEU A 43 -11.274 -5.994 0.894 1.00 0.00 O ATOM 687 CB LEU A 43 -12.616 -3.322 -0.435 1.00 0.00 C ATOM 688 CG LEU A 43 -13.175 -2.816 -1.765 1.00 0.00 C ATOM 689 CD1 LEU A 43 -12.924 -1.311 -1.883 1.00 0.00 C ATOM 690 CD2 LEU A 43 -12.478 -3.541 -2.918 1.00 0.00 C ATOM 0 H LEU A 43 -14.808 -4.067 0.653 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.725 -5.398 -1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.001 -2.718 0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.531 -3.222 -0.423 1.00 0.00 H new ATOM 0 HG LEU A 43 -14.247 -3.010 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.322 -0.949 -2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.419 -0.794 -1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.852 -1.117 -1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.875 -3.181 -3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.406 -3.346 -2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.655 -4.613 -2.834 1.00 0.00 H new ATOM 702 N GLY A 44 -12.884 -5.160 2.154 1.00 0.00 N ATOM 703 CA GLY A 44 -12.271 -5.692 3.405 1.00 0.00 C ATOM 704 C GLY A 44 -12.253 -7.220 3.358 1.00 0.00 C ATOM 705 O GLY A 44 -11.367 -7.855 3.896 1.00 0.00 O ATOM 0 H GLY A 44 -13.752 -4.642 2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.256 -5.310 3.516 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.837 -5.351 4.272 1.00 0.00 H new ATOM 709 N GLU A 45 -13.228 -7.813 2.714 1.00 0.00 N ATOM 710 CA GLU A 45 -13.273 -9.306 2.626 1.00 0.00 C ATOM 711 C GLU A 45 -12.034 -9.822 1.890 1.00 0.00 C ATOM 712 O GLU A 45 -11.311 -10.663 2.387 1.00 0.00 O ATOM 713 CB GLU A 45 -14.542 -9.629 1.834 1.00 0.00 C ATOM 714 CG GLU A 45 -15.031 -11.031 2.205 1.00 0.00 C ATOM 715 CD GLU A 45 -16.455 -11.229 1.684 1.00 0.00 C ATOM 716 OE1 GLU A 45 -17.373 -10.739 2.321 1.00 0.00 O ATOM 717 OE2 GLU A 45 -16.605 -11.867 0.655 1.00 0.00 O ATOM 0 H GLU A 45 -13.994 -7.329 2.246 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.284 -9.777 3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.316 -8.893 2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.340 -9.574 0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.368 -11.784 1.778 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.007 -11.162 3.287 1.00 0.00 H new ATOM 724 N MET A 46 -11.786 -9.316 0.707 1.00 0.00 N ATOM 725 CA MET A 46 -10.591 -9.768 -0.070 1.00 0.00 C ATOM 726 C MET A 46 -9.302 -9.386 0.665 1.00 0.00 C ATOM 727 O MET A 46 -8.267 -9.994 0.468 1.00 0.00 O ATOM 728 CB MET A 46 -10.678 -9.034 -1.410 1.00 0.00 C ATOM 729 CG MET A 46 -11.968 -9.432 -2.130 1.00 0.00 C ATOM 730 SD MET A 46 -11.950 -8.766 -3.813 1.00 0.00 S ATOM 731 CE MET A 46 -12.943 -10.068 -4.582 1.00 0.00 C ATOM 0 H MET A 46 -12.360 -8.610 0.246 1.00 0.00 H new ATOM 0 HA MET A 46 -10.576 -10.850 -0.200 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.658 -7.956 -1.248 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.814 -9.280 -2.028 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.061 -10.518 -2.158 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.833 -9.052 -1.586 1.00 0.00 H new ATOM 0 HE1 MET A 46 -13.061 -9.856 -5.645 1.00 0.00 H new ATOM 0 HE2 MET A 46 -12.443 -11.028 -4.457 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.924 -10.105 -4.108 1.00 0.00 H new ATOM 741 N TRP A 47 -9.358 -8.385 1.513 1.00 0.00 N ATOM 742 CA TRP A 47 -8.135 -7.969 2.263 1.00 0.00 C ATOM 743 C TRP A 47 -7.878 -8.931 3.427 1.00 0.00 C ATOM 744 O TRP A 47 -6.746 -9.269 3.722 1.00 0.00 O ATOM 745 CB TRP A 47 -8.441 -6.563 2.784 1.00 0.00 C ATOM 746 CG TRP A 47 -7.239 -6.019 3.489 1.00 0.00 C ATOM 747 CD1 TRP A 47 -7.127 -5.873 4.830 1.00 0.00 C ATOM 748 CD2 TRP A 47 -5.981 -5.553 2.921 1.00 0.00 C ATOM 749 NE1 TRP A 47 -5.880 -5.346 5.119 1.00 0.00 N ATOM 750 CE2 TRP A 47 -5.138 -5.130 3.975 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.495 -5.455 1.604 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -3.858 -4.631 3.734 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -4.207 -4.951 1.357 1.00 0.00 C ATOM 754 CH2 TRP A 47 -3.390 -4.540 2.421 1.00 0.00 C ATOM 0 H TRP A 47 -10.197 -7.841 1.716 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.243 -7.982 1.636 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.717 -5.909 1.957 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.292 -6.593 3.464 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.886 -6.126 5.555 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.550 -5.142 6.062 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.116 -5.769 0.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.233 -4.317 4.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.844 -4.880 0.342 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.401 -4.154 2.225 1.00 0.00 H new ATOM 765 N SER A 48 -8.918 -9.369 4.091 1.00 0.00 N ATOM 766 CA SER A 48 -8.738 -10.308 5.239 1.00 0.00 C ATOM 767 C SER A 48 -8.531 -11.740 4.736 1.00 0.00 C ATOM 768 O SER A 48 -7.931 -12.559 5.407 1.00 0.00 O ATOM 769 CB SER A 48 -10.033 -10.206 6.045 1.00 0.00 C ATOM 770 OG SER A 48 -9.962 -9.080 6.908 1.00 0.00 O ATOM 0 H SER A 48 -9.885 -9.116 3.887 1.00 0.00 H new ATOM 0 HA SER A 48 -7.863 -10.056 5.838 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.886 -10.110 5.373 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.185 -11.115 6.627 1.00 0.00 H new ATOM 0 HG SER A 48 -10.792 -9.011 7.425 1.00 0.00 H new ATOM 776 N GLU A 49 -9.017 -12.046 3.558 1.00 0.00 N ATOM 777 CA GLU A 49 -8.842 -13.426 3.009 1.00 0.00 C ATOM 778 C GLU A 49 -7.375 -13.655 2.643 1.00 0.00 C ATOM 779 O GLU A 49 -6.810 -14.695 2.926 1.00 0.00 O ATOM 780 CB GLU A 49 -9.724 -13.479 1.759 1.00 0.00 C ATOM 781 CG GLU A 49 -11.182 -13.695 2.173 1.00 0.00 C ATOM 782 CD GLU A 49 -11.403 -15.171 2.507 1.00 0.00 C ATOM 783 OE1 GLU A 49 -10.995 -15.584 3.580 1.00 0.00 O ATOM 784 OE2 GLU A 49 -11.980 -15.864 1.685 1.00 0.00 O ATOM 0 H GLU A 49 -9.526 -11.401 2.954 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.120 -14.197 3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.629 -12.552 1.194 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.397 -14.287 1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.422 -13.076 3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.849 -13.389 1.367 1.00 0.00 H new ATOM 791 N GLN A 50 -6.756 -12.690 2.011 1.00 0.00 N ATOM 792 CA GLN A 50 -5.317 -12.837 1.615 1.00 0.00 C ATOM 793 C GLN A 50 -4.451 -13.149 2.839 1.00 0.00 C ATOM 794 O GLN A 50 -4.791 -12.809 3.957 1.00 0.00 O ATOM 795 CB GLN A 50 -4.924 -11.484 1.017 1.00 0.00 C ATOM 796 CG GLN A 50 -5.703 -11.254 -0.279 1.00 0.00 C ATOM 797 CD GLN A 50 -5.001 -11.974 -1.432 1.00 0.00 C ATOM 798 OE1 GLN A 50 -4.621 -13.121 -1.306 1.00 0.00 O ATOM 799 NE2 GLN A 50 -4.812 -11.344 -2.560 1.00 0.00 N ATOM 0 H GLN A 50 -7.185 -11.802 1.750 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.173 -13.654 0.909 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.135 -10.685 1.728 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.852 -11.459 0.819 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.723 -11.623 -0.173 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.771 -10.187 -0.490 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.131 -10.381 -2.666 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.345 -11.815 -3.335 1.00 0.00 H new ATOM 808 N SER A 51 -3.333 -13.792 2.628 1.00 0.00 N ATOM 809 CA SER A 51 -2.427 -14.130 3.764 1.00 0.00 C ATOM 810 C SER A 51 -1.370 -13.030 3.923 1.00 0.00 C ATOM 811 O SER A 51 -1.621 -11.880 3.617 1.00 0.00 O ATOM 812 CB SER A 51 -1.787 -15.462 3.366 1.00 0.00 C ATOM 813 OG SER A 51 -2.806 -16.375 2.978 1.00 0.00 O ATOM 0 H SER A 51 -3.007 -14.099 1.712 1.00 0.00 H new ATOM 0 HA SER A 51 -2.947 -14.206 4.719 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.086 -15.311 2.545 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.217 -15.869 4.201 1.00 0.00 H new ATOM 0 HG SER A 51 -2.400 -17.229 2.721 1.00 0.00 H new ATOM 819 N ALA A 52 -0.193 -13.368 4.392 1.00 0.00 N ATOM 820 CA ALA A 52 0.873 -12.335 4.559 1.00 0.00 C ATOM 821 C ALA A 52 1.746 -12.265 3.301 1.00 0.00 C ATOM 822 O ALA A 52 2.955 -12.158 3.384 1.00 0.00 O ATOM 823 CB ALA A 52 1.697 -12.806 5.758 1.00 0.00 C ATOM 0 H ALA A 52 0.074 -14.314 4.666 1.00 0.00 H new ATOM 0 HA ALA A 52 0.460 -11.338 4.714 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.504 -12.097 5.946 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.056 -12.868 6.638 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.119 -13.788 5.546 1.00 0.00 H new ATOM 829 N LYS A 53 1.141 -12.325 2.139 1.00 0.00 N ATOM 830 CA LYS A 53 1.932 -12.260 0.875 1.00 0.00 C ATOM 831 C LYS A 53 1.503 -11.047 0.048 1.00 0.00 C ATOM 832 O LYS A 53 2.325 -10.279 -0.413 1.00 0.00 O ATOM 833 CB LYS A 53 1.603 -13.556 0.134 1.00 0.00 C ATOM 834 CG LYS A 53 2.550 -14.666 0.596 1.00 0.00 C ATOM 835 CD LYS A 53 1.983 -15.333 1.850 1.00 0.00 C ATOM 836 CE LYS A 53 2.540 -16.754 1.968 1.00 0.00 C ATOM 837 NZ LYS A 53 1.586 -17.605 1.206 1.00 0.00 N ATOM 0 H LYS A 53 0.133 -12.416 2.014 1.00 0.00 H new ATOM 0 HA LYS A 53 3.001 -12.158 1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.569 -13.843 0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.699 -13.406 -0.941 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.675 -15.404 -0.196 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.537 -14.253 0.806 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.247 -14.753 2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.895 -15.361 1.800 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.546 -16.820 1.553 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.604 -17.068 3.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.901 -18.596 1.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.639 -17.528 1.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.551 -17.287 0.216 1.00 0.00 H new ATOM 851 N ASP A 54 0.221 -10.875 -0.145 1.00 0.00 N ATOM 852 CA ASP A 54 -0.274 -9.713 -0.947 1.00 0.00 C ATOM 853 C ASP A 54 0.126 -8.393 -0.283 1.00 0.00 C ATOM 854 O ASP A 54 0.278 -7.382 -0.943 1.00 0.00 O ATOM 855 CB ASP A 54 -1.797 -9.858 -0.974 1.00 0.00 C ATOM 856 CG ASP A 54 -2.377 -8.952 -2.061 1.00 0.00 C ATOM 857 OD1 ASP A 54 -2.551 -7.774 -1.792 1.00 0.00 O ATOM 858 OD2 ASP A 54 -2.637 -9.449 -3.144 1.00 0.00 O ATOM 0 H ASP A 54 -0.507 -11.490 0.218 1.00 0.00 H new ATOM 0 HA ASP A 54 0.151 -9.703 -1.951 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.071 -10.895 -1.166 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.215 -9.593 -0.003 1.00 0.00 H new ATOM 863 N LYS A 55 0.292 -8.392 1.016 1.00 0.00 N ATOM 864 CA LYS A 55 0.677 -7.133 1.723 1.00 0.00 C ATOM 865 C LYS A 55 2.188 -6.914 1.649 1.00 0.00 C ATOM 866 O LYS A 55 2.648 -5.797 1.591 1.00 0.00 O ATOM 867 CB LYS A 55 0.244 -7.334 3.175 1.00 0.00 C ATOM 868 CG LYS A 55 -0.254 -6.006 3.749 1.00 0.00 C ATOM 869 CD LYS A 55 -0.434 -6.140 5.263 1.00 0.00 C ATOM 870 CE LYS A 55 0.934 -6.094 5.948 1.00 0.00 C ATOM 871 NZ LYS A 55 0.709 -6.686 7.296 1.00 0.00 N ATOM 0 H LYS A 55 0.178 -9.208 1.617 1.00 0.00 H new ATOM 0 HA LYS A 55 0.206 -6.259 1.272 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.545 -8.084 3.230 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.080 -7.707 3.766 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.458 -5.211 3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.199 -5.728 3.283 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.067 -5.335 5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.938 -7.077 5.498 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.676 -6.661 5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.304 -5.071 6.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.603 -6.689 7.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.003 -6.121 7.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.364 -7.662 7.193 1.00 0.00 H new ATOM 885 N GLN A 56 2.962 -7.973 1.675 1.00 0.00 N ATOM 886 CA GLN A 56 4.463 -7.844 1.632 1.00 0.00 C ATOM 887 C GLN A 56 4.933 -6.800 0.593 1.00 0.00 C ATOM 888 O GLN A 56 5.685 -5.908 0.931 1.00 0.00 O ATOM 889 CB GLN A 56 4.966 -9.240 1.251 1.00 0.00 C ATOM 890 CG GLN A 56 5.377 -10.004 2.513 1.00 0.00 C ATOM 891 CD GLN A 56 6.424 -11.060 2.152 1.00 0.00 C ATOM 892 OE1 GLN A 56 6.311 -11.723 1.141 1.00 0.00 O ATOM 893 NE2 GLN A 56 7.447 -11.244 2.941 1.00 0.00 N ATOM 0 H GLN A 56 2.619 -8.932 1.725 1.00 0.00 H new ATOM 0 HA GLN A 56 4.853 -7.499 2.589 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.185 -9.786 0.722 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.814 -9.158 0.571 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.781 -9.314 3.253 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.506 -10.480 2.963 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.543 -10.687 3.790 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.151 -11.944 2.708 1.00 0.00 H new ATOM 902 N PRO A 57 4.484 -6.935 -0.636 1.00 0.00 N ATOM 903 CA PRO A 57 4.890 -5.972 -1.691 1.00 0.00 C ATOM 904 C PRO A 57 4.087 -4.665 -1.592 1.00 0.00 C ATOM 905 O PRO A 57 4.595 -3.595 -1.866 1.00 0.00 O ATOM 906 CB PRO A 57 4.549 -6.695 -2.986 1.00 0.00 C ATOM 907 CG PRO A 57 3.451 -7.643 -2.627 1.00 0.00 C ATOM 908 CD PRO A 57 3.589 -7.974 -1.163 1.00 0.00 C ATOM 0 HA PRO A 57 5.940 -5.691 -1.613 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.228 -5.994 -3.756 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.415 -7.226 -3.380 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.478 -7.194 -2.827 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.515 -8.548 -3.231 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.622 -7.959 -0.659 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.008 -8.970 -1.019 1.00 0.00 H new ATOM 916 N TYR A 58 2.828 -4.754 -1.240 1.00 0.00 N ATOM 917 CA TYR A 58 1.970 -3.527 -1.164 1.00 0.00 C ATOM 918 C TYR A 58 2.096 -2.808 0.193 1.00 0.00 C ATOM 919 O TYR A 58 1.452 -1.799 0.415 1.00 0.00 O ATOM 920 CB TYR A 58 0.537 -4.045 -1.364 1.00 0.00 C ATOM 921 CG TYR A 58 -0.145 -3.269 -2.468 1.00 0.00 C ATOM 922 CD1 TYR A 58 -0.671 -1.997 -2.210 1.00 0.00 C ATOM 923 CD2 TYR A 58 -0.252 -3.824 -3.749 1.00 0.00 C ATOM 924 CE1 TYR A 58 -1.303 -1.281 -3.234 1.00 0.00 C ATOM 925 CE2 TYR A 58 -0.885 -3.107 -4.772 1.00 0.00 C ATOM 926 CZ TYR A 58 -1.410 -1.836 -4.514 1.00 0.00 C ATOM 927 OH TYR A 58 -2.033 -1.130 -5.523 1.00 0.00 O ATOM 0 H TYR A 58 2.355 -5.625 -1.001 1.00 0.00 H new ATOM 0 HA TYR A 58 2.267 -2.791 -1.911 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.557 -5.106 -1.613 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.027 -3.946 -0.437 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -0.589 -1.569 -1.222 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.154 -4.805 -3.948 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.708 -0.300 -3.036 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.968 -3.535 -5.760 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.020 -1.659 -6.348 1.00 0.00 H new ATOM 937 N GLU A 59 2.898 -3.310 1.102 1.00 0.00 N ATOM 938 CA GLU A 59 3.030 -2.641 2.434 1.00 0.00 C ATOM 939 C GLU A 59 4.276 -1.741 2.469 1.00 0.00 C ATOM 940 O GLU A 59 4.338 -0.787 3.222 1.00 0.00 O ATOM 941 CB GLU A 59 3.131 -3.789 3.454 1.00 0.00 C ATOM 942 CG GLU A 59 4.436 -4.574 3.252 1.00 0.00 C ATOM 943 CD GLU A 59 5.446 -4.185 4.334 1.00 0.00 C ATOM 944 OE1 GLU A 59 5.295 -4.648 5.452 1.00 0.00 O ATOM 945 OE2 GLU A 59 6.353 -3.430 4.025 1.00 0.00 O ATOM 0 H GLU A 59 3.464 -4.150 0.980 1.00 0.00 H new ATOM 0 HA GLU A 59 2.185 -1.989 2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.094 -3.388 4.467 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.277 -4.457 3.344 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.238 -5.645 3.295 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.848 -4.365 2.265 1.00 0.00 H new ATOM 952 N GLN A 60 5.261 -2.038 1.660 1.00 0.00 N ATOM 953 CA GLN A 60 6.502 -1.203 1.642 1.00 0.00 C ATOM 954 C GLN A 60 6.241 0.141 0.942 1.00 0.00 C ATOM 955 O GLN A 60 6.957 1.103 1.149 1.00 0.00 O ATOM 956 CB GLN A 60 7.540 -2.026 0.867 1.00 0.00 C ATOM 957 CG GLN A 60 7.031 -2.324 -0.547 1.00 0.00 C ATOM 958 CD GLN A 60 8.209 -2.712 -1.441 1.00 0.00 C ATOM 959 OE1 GLN A 60 8.588 -1.968 -2.324 1.00 0.00 O ATOM 960 NE2 GLN A 60 8.809 -3.855 -1.249 1.00 0.00 N ATOM 0 H GLN A 60 5.260 -2.824 1.010 1.00 0.00 H new ATOM 0 HA GLN A 60 6.845 -0.969 2.650 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.482 -1.480 0.815 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.741 -2.959 1.393 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.300 -3.132 -0.519 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.524 -1.449 -0.954 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.491 -4.480 -0.508 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.596 -4.124 -1.840 1.00 0.00 H new ATOM 969 N LYS A 61 5.222 0.210 0.120 1.00 0.00 N ATOM 970 CA LYS A 61 4.909 1.489 -0.593 1.00 0.00 C ATOM 971 C LYS A 61 4.614 2.598 0.416 1.00 0.00 C ATOM 972 O LYS A 61 5.083 3.713 0.271 1.00 0.00 O ATOM 973 CB LYS A 61 3.672 1.173 -1.448 1.00 0.00 C ATOM 974 CG LYS A 61 3.189 2.433 -2.172 1.00 0.00 C ATOM 975 CD LYS A 61 2.354 2.033 -3.390 1.00 0.00 C ATOM 976 CE LYS A 61 2.361 3.172 -4.410 1.00 0.00 C ATOM 977 NZ LYS A 61 1.187 2.908 -5.289 1.00 0.00 N ATOM 0 H LYS A 61 4.593 -0.565 -0.088 1.00 0.00 H new ATOM 0 HA LYS A 61 5.740 1.841 -1.204 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.913 0.398 -2.175 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.875 0.781 -0.816 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.595 3.048 -1.496 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.042 3.035 -2.484 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.758 1.126 -3.839 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.331 1.810 -3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.277 4.142 -3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.288 3.184 -4.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.124 3.649 -6.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.298 1.981 -5.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.318 2.910 -4.718 1.00 0.00 H new ATOM 991 N ALA A 62 3.858 2.305 1.442 1.00 0.00 N ATOM 992 CA ALA A 62 3.556 3.347 2.465 1.00 0.00 C ATOM 993 C ALA A 62 4.762 3.541 3.393 1.00 0.00 C ATOM 994 O ALA A 62 4.822 4.498 4.140 1.00 0.00 O ATOM 995 CB ALA A 62 2.354 2.814 3.243 1.00 0.00 C ATOM 0 H ALA A 62 3.438 1.392 1.615 1.00 0.00 H new ATOM 0 HA ALA A 62 3.343 4.316 2.014 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.074 3.530 4.016 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.515 2.668 2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.614 1.863 3.707 1.00 0.00 H new ATOM 1001 N ALA A 63 5.734 2.651 3.342 1.00 0.00 N ATOM 1002 CA ALA A 63 6.939 2.805 4.214 1.00 0.00 C ATOM 1003 C ALA A 63 7.607 4.147 3.917 1.00 0.00 C ATOM 1004 O ALA A 63 8.056 4.837 4.813 1.00 0.00 O ATOM 1005 CB ALA A 63 7.867 1.645 3.842 1.00 0.00 C ATOM 0 H ALA A 63 5.740 1.831 2.736 1.00 0.00 H new ATOM 0 HA ALA A 63 6.692 2.787 5.276 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.773 1.696 4.445 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.360 0.699 4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.129 1.713 2.786 1.00 0.00 H new ATOM 1011 N LYS A 64 7.648 4.534 2.664 1.00 0.00 N ATOM 1012 CA LYS A 64 8.256 5.850 2.304 1.00 0.00 C ATOM 1013 C LYS A 64 7.373 6.968 2.864 1.00 0.00 C ATOM 1014 O LYS A 64 7.799 7.766 3.676 1.00 0.00 O ATOM 1015 CB LYS A 64 8.267 5.866 0.771 1.00 0.00 C ATOM 1016 CG LYS A 64 8.644 7.259 0.243 1.00 0.00 C ATOM 1017 CD LYS A 64 9.813 7.144 -0.739 1.00 0.00 C ATOM 1018 CE LYS A 64 9.362 6.379 -1.985 1.00 0.00 C ATOM 1019 NZ LYS A 64 10.424 6.633 -2.997 1.00 0.00 N ATOM 0 H LYS A 64 7.287 3.995 1.877 1.00 0.00 H new ATOM 0 HA LYS A 64 9.258 5.994 2.707 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.977 5.127 0.400 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.285 5.582 0.393 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.786 7.715 -0.251 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.917 7.911 1.073 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.167 8.137 -1.017 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.649 6.629 -0.266 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.260 5.314 -1.779 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.391 6.731 -2.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.186 6.140 -3.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.494 7.655 -3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.335 6.282 -2.640 1.00 0.00 H new ATOM 1033 N LEU A 65 6.140 7.028 2.416 1.00 0.00 N ATOM 1034 CA LEU A 65 5.185 8.092 2.890 1.00 0.00 C ATOM 1035 C LEU A 65 5.236 8.286 4.419 1.00 0.00 C ATOM 1036 O LEU A 65 4.914 9.348 4.919 1.00 0.00 O ATOM 1037 CB LEU A 65 3.800 7.597 2.463 1.00 0.00 C ATOM 1038 CG LEU A 65 3.638 7.751 0.939 1.00 0.00 C ATOM 1039 CD1 LEU A 65 3.447 6.376 0.295 1.00 0.00 C ATOM 1040 CD2 LEU A 65 2.415 8.623 0.635 1.00 0.00 C ATOM 0 H LEU A 65 5.747 6.379 1.734 1.00 0.00 H new ATOM 0 HA LEU A 65 5.440 9.062 2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.673 6.552 2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.026 8.164 2.979 1.00 0.00 H new ATOM 0 HG LEU A 65 4.534 8.221 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.333 6.492 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.317 5.753 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.555 5.903 0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.303 8.730 -0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.522 8.154 1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.549 9.607 1.085 1.00 0.00 H new ATOM 1052 N LYS A 66 5.666 7.289 5.156 1.00 0.00 N ATOM 1053 CA LYS A 66 5.769 7.447 6.637 1.00 0.00 C ATOM 1054 C LYS A 66 6.941 8.375 6.949 1.00 0.00 C ATOM 1055 O LYS A 66 6.838 9.281 7.753 1.00 0.00 O ATOM 1056 CB LYS A 66 6.030 6.045 7.181 1.00 0.00 C ATOM 1057 CG LYS A 66 6.112 6.095 8.708 1.00 0.00 C ATOM 1058 CD LYS A 66 5.683 4.745 9.286 1.00 0.00 C ATOM 1059 CE LYS A 66 5.717 4.809 10.814 1.00 0.00 C ATOM 1060 NZ LYS A 66 4.962 3.607 11.266 1.00 0.00 N ATOM 0 H LYS A 66 5.948 6.378 4.795 1.00 0.00 H new ATOM 0 HA LYS A 66 4.872 7.877 7.082 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.233 5.369 6.871 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.959 5.651 6.769 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.129 6.330 9.021 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.470 6.888 9.092 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.679 4.494 8.944 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.347 3.958 8.930 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.741 4.795 11.187 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.256 5.726 11.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.941 3.581 12.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.989 3.651 10.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.428 2.749 10.907 1.00 0.00 H new ATOM 1074 N GLU A 67 8.051 8.165 6.286 1.00 0.00 N ATOM 1075 CA GLU A 67 9.240 9.040 6.500 1.00 0.00 C ATOM 1076 C GLU A 67 9.105 10.327 5.667 1.00 0.00 C ATOM 1077 O GLU A 67 9.864 11.262 5.837 1.00 0.00 O ATOM 1078 CB GLU A 67 10.433 8.214 6.019 1.00 0.00 C ATOM 1079 CG GLU A 67 10.889 7.276 7.138 1.00 0.00 C ATOM 1080 CD GLU A 67 11.907 7.995 8.024 1.00 0.00 C ATOM 1081 OE1 GLU A 67 11.486 8.669 8.950 1.00 0.00 O ATOM 1082 OE2 GLU A 67 13.091 7.862 7.760 1.00 0.00 O ATOM 0 H GLU A 67 8.183 7.420 5.602 1.00 0.00 H new ATOM 0 HA GLU A 67 9.349 9.343 7.541 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.157 7.637 5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.251 8.873 5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.032 6.960 7.733 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.332 6.375 6.714 1.00 0.00 H new ATOM 1089 N LYS A 68 8.136 10.386 4.780 1.00 0.00 N ATOM 1090 CA LYS A 68 7.939 11.610 3.951 1.00 0.00 C ATOM 1091 C LYS A 68 6.840 12.467 4.576 1.00 0.00 C ATOM 1092 O LYS A 68 6.874 13.680 4.515 1.00 0.00 O ATOM 1093 CB LYS A 68 7.507 11.096 2.576 1.00 0.00 C ATOM 1094 CG LYS A 68 8.228 11.887 1.482 1.00 0.00 C ATOM 1095 CD LYS A 68 9.701 11.477 1.442 1.00 0.00 C ATOM 1096 CE LYS A 68 9.893 10.357 0.418 1.00 0.00 C ATOM 1097 NZ LYS A 68 10.136 11.055 -0.875 1.00 0.00 N ATOM 0 H LYS A 68 7.473 9.633 4.598 1.00 0.00 H new ATOM 0 HA LYS A 68 8.837 12.225 3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.739 10.035 2.484 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.428 11.198 2.461 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.761 11.699 0.515 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.142 12.956 1.675 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.321 12.334 1.179 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.023 11.141 2.428 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.734 9.717 0.686 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.012 9.718 0.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.277 10.352 -1.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.316 11.651 -1.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.985 11.650 -0.794 1.00 0.00 H new ATOM 1111 N TYR A 69 5.874 11.836 5.194 1.00 0.00 N ATOM 1112 CA TYR A 69 4.771 12.598 5.849 1.00 0.00 C ATOM 1113 C TYR A 69 5.275 13.169 7.177 1.00 0.00 C ATOM 1114 O TYR A 69 5.139 14.348 7.445 1.00 0.00 O ATOM 1115 CB TYR A 69 3.655 11.569 6.080 1.00 0.00 C ATOM 1116 CG TYR A 69 2.496 12.218 6.806 1.00 0.00 C ATOM 1117 CD1 TYR A 69 2.478 12.245 8.205 1.00 0.00 C ATOM 1118 CD2 TYR A 69 1.445 12.792 6.080 1.00 0.00 C ATOM 1119 CE1 TYR A 69 1.407 12.845 8.880 1.00 0.00 C ATOM 1120 CE2 TYR A 69 0.376 13.394 6.755 1.00 0.00 C ATOM 1121 CZ TYR A 69 0.357 13.420 8.155 1.00 0.00 C ATOM 1122 OH TYR A 69 -0.697 14.012 8.821 1.00 0.00 O ATOM 0 H TYR A 69 5.803 10.822 5.273 1.00 0.00 H new ATOM 0 HA TYR A 69 4.417 13.436 5.249 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.317 11.166 5.125 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.037 10.731 6.663 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.290 11.803 8.764 1.00 0.00 H new ATOM 0 HD2 TYR A 69 1.459 12.770 5.000 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.392 12.864 9.960 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.434 13.838 6.196 1.00 0.00 H new ATOM 0 HH TYR A 69 -1.340 14.363 8.170 1.00 0.00 H new ATOM 1132 N GLU A 70 5.860 12.340 8.005 1.00 0.00 N ATOM 1133 CA GLU A 70 6.380 12.832 9.320 1.00 0.00 C ATOM 1134 C GLU A 70 7.622 13.718 9.128 1.00 0.00 C ATOM 1135 O GLU A 70 8.095 14.332 10.067 1.00 0.00 O ATOM 1136 CB GLU A 70 6.743 11.571 10.106 1.00 0.00 C ATOM 1137 CG GLU A 70 5.466 10.898 10.612 1.00 0.00 C ATOM 1138 CD GLU A 70 5.820 9.575 11.293 1.00 0.00 C ATOM 1139 OE1 GLU A 70 6.181 9.608 12.457 1.00 0.00 O ATOM 1140 OE2 GLU A 70 5.725 8.550 10.637 1.00 0.00 O ATOM 0 H GLU A 70 6.000 11.345 7.829 1.00 0.00 H new ATOM 0 HA GLU A 70 5.641 13.443 9.838 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.302 10.883 9.472 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.389 11.827 10.946 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.951 11.554 11.314 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.783 10.720 9.782 1.00 0.00 H new ATOM 1147 N LYS A 71 8.156 13.795 7.929 1.00 0.00 N ATOM 1148 CA LYS A 71 9.364 14.642 7.698 1.00 0.00 C ATOM 1149 C LYS A 71 9.002 15.885 6.880 1.00 0.00 C ATOM 1150 O LYS A 71 9.565 16.947 7.070 1.00 0.00 O ATOM 1151 CB LYS A 71 10.329 13.750 6.916 1.00 0.00 C ATOM 1152 CG LYS A 71 11.714 14.401 6.884 1.00 0.00 C ATOM 1153 CD LYS A 71 12.720 13.427 6.269 1.00 0.00 C ATOM 1154 CE LYS A 71 13.154 12.407 7.323 1.00 0.00 C ATOM 1155 NZ LYS A 71 14.196 13.104 8.128 1.00 0.00 N ATOM 0 H LYS A 71 7.805 13.307 7.105 1.00 0.00 H new ATOM 0 HA LYS A 71 9.798 14.997 8.632 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.389 12.766 7.381 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.962 13.601 5.901 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.681 15.322 6.303 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.024 14.672 7.893 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.273 12.916 5.416 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.587 13.971 5.896 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.313 12.101 7.946 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.552 11.505 6.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.123 12.669 7.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.227 14.108 7.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.966 13.022 9.139 1.00 0.00 H new ATOM 1169 N ASP A 72 8.069 15.759 5.969 1.00 0.00 N ATOM 1170 CA ASP A 72 7.670 16.933 5.133 1.00 0.00 C ATOM 1171 C ASP A 72 6.671 17.813 5.887 1.00 0.00 C ATOM 1172 O ASP A 72 6.635 19.015 5.704 1.00 0.00 O ATOM 1173 CB ASP A 72 7.021 16.334 3.885 1.00 0.00 C ATOM 1174 CG ASP A 72 6.835 17.427 2.831 1.00 0.00 C ATOM 1175 OD1 ASP A 72 7.832 17.879 2.293 1.00 0.00 O ATOM 1176 OD2 ASP A 72 5.698 17.794 2.581 1.00 0.00 O ATOM 0 H ASP A 72 7.567 14.894 5.768 1.00 0.00 H new ATOM 0 HA ASP A 72 8.522 17.566 4.885 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.644 15.533 3.487 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.058 15.892 4.140 1.00 0.00 H new ATOM 1181 N ILE A 73 5.861 17.224 6.733 1.00 0.00 N ATOM 1182 CA ILE A 73 4.863 18.033 7.500 1.00 0.00 C ATOM 1183 C ILE A 73 5.575 18.935 8.524 1.00 0.00 C ATOM 1184 O ILE A 73 5.016 19.909 8.991 1.00 0.00 O ATOM 1185 CB ILE A 73 3.945 17.008 8.188 1.00 0.00 C ATOM 1186 CG1 ILE A 73 2.722 17.733 8.756 1.00 0.00 C ATOM 1187 CG2 ILE A 73 4.685 16.288 9.323 1.00 0.00 C ATOM 1188 CD1 ILE A 73 1.690 17.934 7.644 1.00 0.00 C ATOM 0 H ILE A 73 5.848 16.222 6.925 1.00 0.00 H new ATOM 0 HA ILE A 73 4.291 18.700 6.856 1.00 0.00 H new ATOM 0 HB ILE A 73 3.635 16.265 7.453 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.287 17.153 9.570 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.017 18.696 9.172 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.016 15.568 9.795 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.552 15.766 8.918 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.013 17.017 10.063 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.818 18.450 8.046 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.128 18.531 6.844 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.387 16.964 7.249 1.00 0.00 H new