USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 458 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: A 246 LYS NZ :NH3+ -141:sc= -0.306 (180deg=-0.835) USER MOD Set 1.2: A 291 HIS : no HE2:sc= -8.66! C(o=-9!,f=-9.5!) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 250 ASN : amide:sc= -1.92 K(o=-1.9,f=-11!) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ 166:sc= 1.02 (180deg=0.89) USER MOD Single : A 255 THR OG1 : rot 50:sc= 0.733 USER MOD Single : A 266 LYS NZ :NH3+ -170:sc= 1.21 (180deg=1.13) USER MOD Single : A 268 THR OG1 : rot -26:sc= 0.679 USER MOD Single : A 269 LYS NZ :NH3+ -150:sc= -0.0818 (180deg=-0.599) USER MOD Single : A 280 CYS SG : rot -40:sc= -18.3! USER MOD Single : A 281 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 283 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 286 HIS : no HD1:sc= -0.438 K(o=-0.44,f=-2.3!) USER MOD Single : A 290 THR OG1 : rot 180:sc= -0.811 USER MOD Single : A 297 GLN :FLIP amide:sc= -0.067 F(o=-1.5!,f=-0.067) USER MOD ----------------------------------------------------------------- ATOM 262 N PRO A 238 5.955 -2.410 -8.746 1.00 0.40 N ATOM 263 CA PRO A 238 5.253 -2.396 -7.470 1.00 0.28 C ATOM 264 C PRO A 238 4.956 -3.740 -6.953 1.00 0.28 C ATOM 265 O PRO A 238 4.586 -4.675 -7.665 1.00 0.41 O ATOM 266 CB PRO A 238 3.986 -1.599 -7.739 1.00 0.25 C ATOM 267 CG PRO A 238 3.741 -1.791 -9.181 1.00 0.59 C ATOM 268 CD PRO A 238 5.113 -1.859 -9.815 1.00 0.43 C ATOM 0 HA PRO A 238 5.869 -1.951 -6.689 1.00 0.28 H new ATOM 0 HB2 PRO A 238 3.151 -1.963 -7.141 1.00 0.25 H new ATOM 0 HB3 PRO A 238 4.118 -0.545 -7.494 1.00 0.25 H new ATOM 0 HG2 PRO A 238 3.177 -2.705 -9.366 1.00 0.59 H new ATOM 0 HG3 PRO A 238 3.158 -0.968 -9.594 1.00 0.59 H new ATOM 0 HD2 PRO A 238 5.116 -2.498 -10.698 1.00 0.43 H new ATOM 0 HD3 PRO A 238 5.458 -0.875 -10.132 1.00 0.43 H new ATOM 276 N PHE A 239 5.148 -3.788 -5.679 1.00 0.24 N ATOM 277 CA PHE A 239 5.120 -4.999 -4.957 1.00 0.26 C ATOM 278 C PHE A 239 3.695 -5.356 -4.641 1.00 0.22 C ATOM 279 O PHE A 239 2.811 -4.498 -4.669 1.00 0.26 O ATOM 280 CB PHE A 239 5.933 -4.863 -3.668 1.00 0.38 C ATOM 281 CG PHE A 239 7.430 -4.790 -3.847 1.00 0.48 C ATOM 282 CD1 PHE A 239 8.071 -5.580 -4.779 1.00 0.56 C ATOM 283 CD2 PHE A 239 8.195 -3.959 -3.054 1.00 0.66 C ATOM 284 CE1 PHE A 239 9.441 -5.549 -4.922 1.00 0.71 C ATOM 285 CE2 PHE A 239 9.571 -3.918 -3.194 1.00 0.79 C ATOM 286 CZ PHE A 239 10.194 -4.715 -4.128 1.00 0.78 C ATOM 0 H PHE A 239 5.332 -2.965 -5.105 1.00 0.24 H new ATOM 0 HA PHE A 239 5.563 -5.791 -5.560 1.00 0.26 H new ATOM 0 HB2 PHE A 239 5.603 -3.966 -3.144 1.00 0.38 H new ATOM 0 HB3 PHE A 239 5.703 -5.711 -3.023 1.00 0.38 H new ATOM 0 HD1 PHE A 239 7.488 -6.235 -5.409 1.00 0.56 H new ATOM 0 HD2 PHE A 239 7.714 -3.334 -2.316 1.00 0.66 H new ATOM 0 HE1 PHE A 239 9.923 -6.178 -5.656 1.00 0.71 H new ATOM 0 HE2 PHE A 239 10.157 -3.260 -2.570 1.00 0.79 H new ATOM 0 HZ PHE A 239 11.268 -4.686 -4.237 1.00 0.78 H new ATOM 296 N TYR A 240 3.466 -6.604 -4.321 1.00 0.22 N ATOM 297 CA TYR A 240 2.167 -7.024 -3.951 1.00 0.21 C ATOM 298 C TYR A 240 2.177 -7.045 -2.462 1.00 0.19 C ATOM 299 O TYR A 240 3.241 -7.159 -1.870 1.00 0.23 O ATOM 300 CB TYR A 240 1.853 -8.406 -4.521 1.00 0.24 C ATOM 301 CG TYR A 240 1.106 -8.397 -5.833 1.00 0.36 C ATOM 302 CD1 TYR A 240 0.232 -7.370 -6.155 1.00 0.43 C ATOM 303 CD2 TYR A 240 1.248 -9.443 -6.734 1.00 0.64 C ATOM 304 CE1 TYR A 240 -0.476 -7.382 -7.333 1.00 0.57 C ATOM 305 CE2 TYR A 240 0.546 -9.459 -7.923 1.00 0.79 C ATOM 306 CZ TYR A 240 -0.315 -8.426 -8.218 1.00 0.69 C ATOM 307 OH TYR A 240 -1.025 -8.444 -9.397 1.00 0.88 O ATOM 0 H TYR A 240 4.174 -7.338 -4.314 1.00 0.22 H new ATOM 0 HA TYR A 240 1.397 -6.359 -4.342 1.00 0.21 H new ATOM 0 HB2 TYR A 240 2.789 -8.949 -4.656 1.00 0.24 H new ATOM 0 HB3 TYR A 240 1.266 -8.960 -3.789 1.00 0.24 H new ATOM 0 HD1 TYR A 240 0.105 -6.546 -5.468 1.00 0.43 H new ATOM 0 HD2 TYR A 240 1.918 -10.257 -6.502 1.00 0.64 H new ATOM 0 HE1 TYR A 240 -1.156 -6.576 -7.564 1.00 0.57 H new ATOM 0 HE2 TYR A 240 0.672 -10.277 -8.617 1.00 0.79 H new ATOM 0 HH TYR A 240 -0.793 -9.249 -9.906 1.00 0.88 H new ATOM 317 N ALA A 241 1.056 -6.872 -1.845 1.00 0.14 N ATOM 318 CA ALA A 241 1.028 -6.954 -0.426 1.00 0.15 C ATOM 319 C ALA A 241 -0.295 -7.427 0.079 1.00 0.11 C ATOM 320 O ALA A 241 -1.327 -6.857 -0.215 1.00 0.12 O ATOM 321 CB ALA A 241 1.423 -5.628 0.200 1.00 0.24 C ATOM 0 H ALA A 241 0.161 -6.676 -2.293 1.00 0.14 H new ATOM 0 HA ALA A 241 1.764 -7.700 -0.125 1.00 0.15 H new ATOM 0 HB1 ALA A 241 1.394 -5.715 1.286 1.00 0.24 H new ATOM 0 HB2 ALA A 241 2.432 -5.363 -0.116 1.00 0.24 H new ATOM 0 HB3 ALA A 241 0.727 -4.853 -0.120 1.00 0.24 H new ATOM 327 N ARG A 242 -0.255 -8.462 0.870 1.00 0.10 N ATOM 328 CA ARG A 242 -1.462 -9.016 1.404 1.00 0.08 C ATOM 329 C ARG A 242 -1.931 -8.130 2.537 1.00 0.08 C ATOM 330 O ARG A 242 -1.363 -8.140 3.628 1.00 0.11 O ATOM 331 CB ARG A 242 -1.221 -10.424 1.916 1.00 0.10 C ATOM 332 CG ARG A 242 -2.430 -11.074 2.597 1.00 0.10 C ATOM 333 CD ARG A 242 -3.422 -11.650 1.607 1.00 0.11 C ATOM 334 NE ARG A 242 -2.795 -12.464 0.570 1.00 0.18 N ATOM 335 CZ ARG A 242 -3.416 -12.822 -0.552 1.00 0.35 C ATOM 336 NH1 ARG A 242 -4.686 -12.477 -0.744 1.00 0.51 N ATOM 337 NH2 ARG A 242 -2.778 -13.539 -1.470 1.00 0.43 N ATOM 0 H ARG A 242 0.601 -8.937 1.158 1.00 0.10 H new ATOM 0 HA ARG A 242 -2.220 -9.065 0.622 1.00 0.08 H new ATOM 0 HB2 ARG A 242 -0.911 -11.052 1.080 1.00 0.10 H new ATOM 0 HB3 ARG A 242 -0.392 -10.402 2.623 1.00 0.10 H new ATOM 0 HG2 ARG A 242 -2.085 -11.866 3.261 1.00 0.10 H new ATOM 0 HG3 ARG A 242 -2.933 -10.333 3.219 1.00 0.10 H new ATOM 0 HD2 ARG A 242 -4.151 -12.257 2.144 1.00 0.11 H new ATOM 0 HD3 ARG A 242 -3.971 -10.834 1.137 1.00 0.11 H new ATOM 0 HE ARG A 242 -1.834 -12.774 0.712 1.00 0.18 H new ATOM 0 HH11 ARG A 242 -5.182 -11.940 -0.033 1.00 0.51 H new ATOM 0 HH12 ARG A 242 -5.164 -12.750 -1.603 1.00 0.51 H new ATOM 0 HH21 ARG A 242 -1.809 -13.817 -1.317 1.00 0.43 H new ATOM 0 HH22 ARG A 242 -3.257 -13.811 -2.328 1.00 0.43 H new ATOM 351 N VAL A 243 -2.936 -7.338 2.260 1.00 0.07 N ATOM 352 CA VAL A 243 -3.491 -6.459 3.237 1.00 0.08 C ATOM 353 C VAL A 243 -4.060 -7.279 4.372 1.00 0.11 C ATOM 354 O VAL A 243 -4.611 -8.344 4.146 1.00 0.14 O ATOM 355 CB VAL A 243 -4.586 -5.571 2.611 1.00 0.10 C ATOM 356 CG1 VAL A 243 -5.669 -6.396 1.959 1.00 0.14 C ATOM 357 CG2 VAL A 243 -5.196 -4.696 3.663 1.00 0.18 C ATOM 0 H VAL A 243 -3.388 -7.290 1.347 1.00 0.07 H new ATOM 0 HA VAL A 243 -2.708 -5.804 3.619 1.00 0.08 H new ATOM 0 HB VAL A 243 -4.114 -4.959 1.842 1.00 0.10 H new ATOM 0 HG11 VAL A 243 -6.422 -5.735 1.530 1.00 0.14 H new ATOM 0 HG12 VAL A 243 -5.234 -7.010 1.171 1.00 0.14 H new ATOM 0 HG13 VAL A 243 -6.135 -7.040 2.705 1.00 0.14 H new ATOM 0 HG21 VAL A 243 -5.968 -4.072 3.214 1.00 0.18 H new ATOM 0 HG22 VAL A 243 -5.639 -5.317 4.441 1.00 0.18 H new ATOM 0 HG23 VAL A 243 -4.425 -4.061 4.100 1.00 0.18 H new ATOM 367 N ILE A 244 -3.897 -6.812 5.590 1.00 0.12 N ATOM 368 CA ILE A 244 -4.431 -7.548 6.727 1.00 0.16 C ATOM 369 C ILE A 244 -5.226 -6.663 7.631 1.00 0.13 C ATOM 370 O ILE A 244 -5.693 -7.112 8.662 1.00 0.17 O ATOM 371 CB ILE A 244 -3.376 -8.212 7.611 1.00 0.30 C ATOM 372 CG1 ILE A 244 -2.235 -7.237 7.869 1.00 0.43 C ATOM 373 CG2 ILE A 244 -2.912 -9.509 7.002 1.00 0.37 C ATOM 374 CD1 ILE A 244 -1.821 -7.144 9.317 1.00 0.61 C ATOM 0 H ILE A 244 -3.411 -5.946 5.822 1.00 0.12 H new ATOM 0 HA ILE A 244 -5.042 -8.320 6.259 1.00 0.16 H new ATOM 0 HB ILE A 244 -3.812 -8.466 8.577 1.00 0.30 H new ATOM 0 HG12 ILE A 244 -1.373 -7.538 7.274 1.00 0.43 H new ATOM 0 HG13 ILE A 244 -2.532 -6.247 7.523 1.00 0.43 H new ATOM 0 HG21 ILE A 244 -2.161 -9.966 7.647 1.00 0.37 H new ATOM 0 HG22 ILE A 244 -3.760 -10.186 6.897 1.00 0.37 H new ATOM 0 HG23 ILE A 244 -2.478 -9.316 6.021 1.00 0.37 H new ATOM 0 HD11 ILE A 244 -1.004 -6.429 9.417 1.00 0.61 H new ATOM 0 HD12 ILE A 244 -2.668 -6.812 9.917 1.00 0.61 H new ATOM 0 HD13 ILE A 244 -1.491 -8.123 9.665 1.00 0.61 H new ATOM 386 N GLN A 245 -5.328 -5.404 7.266 1.00 0.11 N ATOM 387 CA GLN A 245 -6.149 -4.457 8.002 1.00 0.12 C ATOM 388 C GLN A 245 -6.359 -3.227 7.162 1.00 0.11 C ATOM 389 O GLN A 245 -5.522 -2.341 7.082 1.00 0.12 O ATOM 390 CB GLN A 245 -5.531 -4.085 9.361 1.00 0.15 C ATOM 391 CG GLN A 245 -5.880 -5.051 10.469 1.00 0.21 C ATOM 392 CD GLN A 245 -5.760 -4.432 11.844 1.00 0.33 C ATOM 393 OE1 GLN A 245 -6.722 -3.877 12.374 1.00 1.05 O ATOM 394 NE2 GLN A 245 -4.577 -4.516 12.431 1.00 1.20 N ATOM 0 H GLN A 245 -4.850 -5.006 6.458 1.00 0.11 H new ATOM 0 HA GLN A 245 -7.108 -4.930 8.213 1.00 0.12 H new ATOM 0 HB2 GLN A 245 -4.447 -4.040 9.258 1.00 0.15 H new ATOM 0 HB3 GLN A 245 -5.866 -3.087 9.642 1.00 0.15 H new ATOM 0 HG2 GLN A 245 -6.899 -5.410 10.325 1.00 0.21 H new ATOM 0 HG3 GLN A 245 -5.224 -5.920 10.408 1.00 0.21 H new ATOM 0 HE21 GLN A 245 -3.805 -4.985 11.957 1.00 1.20 H new ATOM 0 HE22 GLN A 245 -4.437 -4.112 13.357 1.00 1.20 H new ATOM 403 N LYS A 246 -7.466 -3.216 6.486 1.00 0.12 N ATOM 404 CA LYS A 246 -7.846 -2.100 5.672 1.00 0.12 C ATOM 405 C LYS A 246 -9.316 -1.857 5.906 1.00 0.15 C ATOM 406 O LYS A 246 -10.002 -2.701 6.484 1.00 0.19 O ATOM 407 CB LYS A 246 -7.517 -2.428 4.229 1.00 0.12 C ATOM 408 CG LYS A 246 -7.229 -1.253 3.276 1.00 0.13 C ATOM 409 CD LYS A 246 -5.947 -1.513 2.518 1.00 0.14 C ATOM 410 CE LYS A 246 -4.758 -1.030 3.256 1.00 0.16 C ATOM 411 NZ LYS A 246 -3.497 -1.344 2.521 1.00 0.21 N ATOM 0 H LYS A 246 -8.136 -3.985 6.483 1.00 0.12 H new ATOM 0 HA LYS A 246 -7.307 -1.186 5.922 1.00 0.12 H new ATOM 0 HB2 LYS A 246 -6.647 -3.085 4.224 1.00 0.12 H new ATOM 0 HB3 LYS A 246 -8.349 -2.998 3.816 1.00 0.12 H new ATOM 0 HG2 LYS A 246 -8.056 -1.128 2.578 1.00 0.13 H new ATOM 0 HG3 LYS A 246 -7.146 -0.325 3.842 1.00 0.13 H new ATOM 0 HD2 LYS A 246 -5.847 -2.582 2.330 1.00 0.14 H new ATOM 0 HD3 LYS A 246 -5.995 -1.022 1.546 1.00 0.14 H new ATOM 0 HE2 LYS A 246 -4.834 0.047 3.407 1.00 0.16 H new ATOM 0 HE3 LYS A 246 -4.729 -1.490 4.244 1.00 0.16 H new ATOM 0 HZ1 LYS A 246 -2.762 -1.628 3.199 1.00 0.21 H new ATOM 0 HZ2 LYS A 246 -3.670 -2.121 1.851 1.00 0.21 H new ATOM 0 HZ3 LYS A 246 -3.180 -0.502 2.000 1.00 0.21 H new ATOM 425 N ARG A 247 -9.788 -0.728 5.487 1.00 0.16 N ATOM 426 CA ARG A 247 -11.165 -0.379 5.656 1.00 0.16 C ATOM 427 C ARG A 247 -11.836 -0.557 4.317 1.00 0.14 C ATOM 428 O ARG A 247 -11.146 -0.791 3.324 1.00 0.14 O ATOM 429 CB ARG A 247 -11.270 1.067 6.124 1.00 0.17 C ATOM 430 CG ARG A 247 -10.960 2.072 5.034 1.00 0.18 C ATOM 431 CD ARG A 247 -11.011 3.503 5.527 1.00 0.23 C ATOM 432 NE ARG A 247 -12.367 4.028 5.456 1.00 0.49 N ATOM 433 CZ ARG A 247 -12.665 5.289 5.160 1.00 0.63 C ATOM 434 NH1 ARG A 247 -11.704 6.167 4.908 1.00 1.63 N ATOM 435 NH2 ARG A 247 -13.930 5.675 5.097 1.00 0.63 N ATOM 0 H ARG A 247 -9.229 -0.017 5.016 1.00 0.16 H new ATOM 0 HA ARG A 247 -11.646 -1.008 6.405 1.00 0.16 H new ATOM 0 HB2 ARG A 247 -12.277 1.248 6.500 1.00 0.17 H new ATOM 0 HB3 ARG A 247 -10.585 1.223 6.958 1.00 0.17 H new ATOM 0 HG2 ARG A 247 -9.970 1.867 4.628 1.00 0.18 H new ATOM 0 HG3 ARG A 247 -11.672 1.948 4.218 1.00 0.18 H new ATOM 0 HD2 ARG A 247 -10.651 3.551 6.555 1.00 0.23 H new ATOM 0 HD3 ARG A 247 -10.345 4.123 4.927 1.00 0.23 H new ATOM 0 HE ARG A 247 -13.138 3.387 5.646 1.00 0.49 H new ATOM 0 HH11 ARG A 247 -10.727 5.877 4.940 1.00 1.63 H new ATOM 0 HH12 ARG A 247 -11.942 7.133 4.682 1.00 1.63 H new ATOM 0 HH21 ARG A 247 -14.677 5.004 5.276 1.00 0.63 H new ATOM 0 HH22 ARG A 247 -14.157 6.643 4.870 1.00 0.63 H new ATOM 449 N VAL A 248 -13.149 -0.527 4.268 1.00 0.15 N ATOM 450 CA VAL A 248 -13.807 -0.369 3.002 1.00 0.15 C ATOM 451 C VAL A 248 -14.164 1.099 2.801 1.00 0.14 C ATOM 452 O VAL A 248 -15.199 1.580 3.269 1.00 0.16 O ATOM 453 CB VAL A 248 -15.045 -1.274 2.870 1.00 0.19 C ATOM 454 CG1 VAL A 248 -15.933 -0.803 1.735 1.00 0.21 C ATOM 455 CG2 VAL A 248 -14.605 -2.706 2.626 1.00 0.21 C ATOM 0 H VAL A 248 -13.767 -0.609 5.075 1.00 0.15 H new ATOM 0 HA VAL A 248 -13.120 -0.683 2.216 1.00 0.15 H new ATOM 0 HB VAL A 248 -15.617 -1.224 3.796 1.00 0.19 H new ATOM 0 HG11 VAL A 248 -16.802 -1.456 1.658 1.00 0.21 H new ATOM 0 HG12 VAL A 248 -16.262 0.218 1.930 1.00 0.21 H new ATOM 0 HG13 VAL A 248 -15.374 -0.832 0.800 1.00 0.21 H new ATOM 0 HG21 VAL A 248 -15.483 -3.345 2.533 1.00 0.21 H new ATOM 0 HG22 VAL A 248 -14.021 -2.756 1.707 1.00 0.21 H new ATOM 0 HG23 VAL A 248 -13.995 -3.047 3.463 1.00 0.21 H new ATOM 465 N PRO A 249 -13.248 1.850 2.176 1.00 0.13 N ATOM 466 CA PRO A 249 -13.467 3.195 1.759 1.00 0.15 C ATOM 467 C PRO A 249 -13.861 3.230 0.297 1.00 0.16 C ATOM 468 O PRO A 249 -14.561 2.347 -0.200 1.00 0.17 O ATOM 469 CB PRO A 249 -12.083 3.843 1.951 1.00 0.16 C ATOM 470 CG PRO A 249 -11.104 2.711 2.011 1.00 0.14 C ATOM 471 CD PRO A 249 -11.898 1.457 1.832 1.00 0.13 C ATOM 0 HA PRO A 249 -14.263 3.697 2.309 1.00 0.15 H new ATOM 0 HB2 PRO A 249 -11.850 4.518 1.127 1.00 0.16 H new ATOM 0 HB3 PRO A 249 -12.052 4.435 2.866 1.00 0.16 H new ATOM 0 HG2 PRO A 249 -10.350 2.808 1.230 1.00 0.14 H new ATOM 0 HG3 PRO A 249 -10.576 2.704 2.965 1.00 0.14 H new ATOM 0 HD2 PRO A 249 -11.838 1.088 0.808 1.00 0.13 H new ATOM 0 HD3 PRO A 249 -11.536 0.659 2.480 1.00 0.13 H new ATOM 479 N ASN A 250 -13.403 4.255 -0.371 1.00 0.17 N ATOM 480 CA ASN A 250 -13.441 4.333 -1.813 1.00 0.20 C ATOM 481 C ASN A 250 -12.447 5.381 -2.256 1.00 0.21 C ATOM 482 O ASN A 250 -11.778 5.999 -1.423 1.00 0.19 O ATOM 483 CB ASN A 250 -14.842 4.660 -2.356 1.00 0.24 C ATOM 484 CG ASN A 250 -15.514 5.823 -1.652 1.00 0.69 C ATOM 485 OD1 ASN A 250 -14.859 6.724 -1.143 1.00 1.18 O ATOM 486 ND2 ASN A 250 -16.837 5.808 -1.622 1.00 1.28 N ATOM 0 H ASN A 250 -12.986 5.073 0.075 1.00 0.17 H new ATOM 0 HA ASN A 250 -13.181 3.355 -2.217 1.00 0.20 H new ATOM 0 HB2 ASN A 250 -14.766 4.886 -3.420 1.00 0.24 H new ATOM 0 HB3 ASN A 250 -15.473 3.776 -2.262 1.00 0.24 H new ATOM 0 HD21 ASN A 250 -17.345 6.564 -1.164 1.00 1.28 H new ATOM 0 HD22 ASN A 250 -17.348 5.040 -2.057 1.00 1.28 H new ATOM 493 N ALA A 251 -12.337 5.583 -3.550 1.00 0.26 N ATOM 494 CA ALA A 251 -11.392 6.549 -4.068 1.00 0.31 C ATOM 495 C ALA A 251 -11.884 7.976 -3.851 1.00 0.37 C ATOM 496 O ALA A 251 -11.145 8.942 -4.033 1.00 0.42 O ATOM 497 CB ALA A 251 -11.118 6.281 -5.536 1.00 0.39 C ATOM 0 H ALA A 251 -12.885 5.096 -4.259 1.00 0.26 H new ATOM 0 HA ALA A 251 -10.457 6.441 -3.518 1.00 0.31 H new ATOM 0 HB1 ALA A 251 -10.406 7.015 -5.913 1.00 0.39 H new ATOM 0 HB2 ALA A 251 -10.703 5.280 -5.652 1.00 0.39 H new ATOM 0 HB3 ALA A 251 -12.048 6.356 -6.099 1.00 0.39 H new ATOM 503 N TYR A 252 -13.138 8.096 -3.461 1.00 0.39 N ATOM 504 CA TYR A 252 -13.727 9.382 -3.137 1.00 0.47 C ATOM 505 C TYR A 252 -13.208 9.847 -1.801 1.00 0.46 C ATOM 506 O TYR A 252 -12.856 11.010 -1.596 1.00 0.56 O ATOM 507 CB TYR A 252 -15.237 9.240 -3.064 1.00 0.57 C ATOM 508 CG TYR A 252 -15.897 9.188 -4.405 1.00 0.95 C ATOM 509 CD1 TYR A 252 -15.815 8.071 -5.226 1.00 1.30 C ATOM 510 CD2 TYR A 252 -16.606 10.275 -4.840 1.00 1.27 C ATOM 511 CE1 TYR A 252 -16.437 8.057 -6.462 1.00 1.80 C ATOM 512 CE2 TYR A 252 -17.233 10.279 -6.069 1.00 1.76 C ATOM 513 CZ TYR A 252 -17.146 9.165 -6.879 1.00 1.98 C ATOM 514 OH TYR A 252 -17.765 9.161 -8.110 1.00 2.53 O ATOM 0 H TYR A 252 -13.777 7.307 -3.360 1.00 0.39 H new ATOM 0 HA TYR A 252 -13.463 10.108 -3.906 1.00 0.47 H new ATOM 0 HB2 TYR A 252 -15.482 8.333 -2.512 1.00 0.57 H new ATOM 0 HB3 TYR A 252 -15.646 10.078 -2.499 1.00 0.57 H new ATOM 0 HD1 TYR A 252 -15.260 7.205 -4.897 1.00 1.30 H new ATOM 0 HD2 TYR A 252 -16.676 11.148 -4.208 1.00 1.27 H new ATOM 0 HE1 TYR A 252 -16.368 7.185 -7.096 1.00 1.80 H new ATOM 0 HE2 TYR A 252 -17.787 11.147 -6.395 1.00 1.76 H new ATOM 0 HH TYR A 252 -18.222 10.017 -8.249 1.00 2.53 H new ATOM 524 N ASP A 253 -13.168 8.889 -0.913 1.00 0.40 N ATOM 525 CA ASP A 253 -12.700 9.048 0.422 1.00 0.43 C ATOM 526 C ASP A 253 -11.218 9.208 0.427 1.00 0.38 C ATOM 527 O ASP A 253 -10.499 8.246 0.702 1.00 0.34 O ATOM 528 CB ASP A 253 -12.983 7.770 1.163 1.00 0.44 C ATOM 529 CG ASP A 253 -13.891 7.940 2.363 1.00 0.56 C ATOM 530 OD1 ASP A 253 -15.094 8.190 2.182 1.00 0.80 O ATOM 531 OD2 ASP A 253 -13.394 7.845 3.502 1.00 0.88 O ATOM 0 H ASP A 253 -13.476 7.938 -1.118 1.00 0.40 H new ATOM 0 HA ASP A 253 -13.185 9.915 0.871 1.00 0.43 H new ATOM 0 HB2 ASP A 253 -13.437 7.057 0.475 1.00 0.44 H new ATOM 0 HB3 ASP A 253 -12.039 7.337 1.494 1.00 0.44 H new ATOM 536 N LYS A 254 -10.757 10.402 0.121 1.00 0.43 N ATOM 537 CA LYS A 254 -9.361 10.739 0.286 1.00 0.41 C ATOM 538 C LYS A 254 -8.483 9.901 -0.616 1.00 0.31 C ATOM 539 O LYS A 254 -7.258 9.977 -0.547 1.00 0.28 O ATOM 540 CB LYS A 254 -8.995 10.484 1.733 1.00 0.45 C ATOM 541 CG LYS A 254 -9.943 11.168 2.676 1.00 0.60 C ATOM 542 CD LYS A 254 -9.954 10.494 4.030 1.00 0.74 C ATOM 543 CE LYS A 254 -11.020 9.417 4.050 1.00 0.79 C ATOM 544 NZ LYS A 254 -12.343 9.964 4.445 1.00 1.32 N ATOM 0 H LYS A 254 -11.334 11.159 -0.246 1.00 0.43 H new ATOM 0 HA LYS A 254 -9.204 11.784 0.018 1.00 0.41 H new ATOM 0 HB2 LYS A 254 -9.001 9.411 1.926 1.00 0.45 H new ATOM 0 HB3 LYS A 254 -7.980 10.836 1.919 1.00 0.45 H new ATOM 0 HG2 LYS A 254 -9.655 12.213 2.790 1.00 0.60 H new ATOM 0 HG3 LYS A 254 -10.948 11.159 2.255 1.00 0.60 H new ATOM 0 HD2 LYS A 254 -8.977 10.058 4.239 1.00 0.74 H new ATOM 0 HD3 LYS A 254 -10.149 11.228 4.812 1.00 0.74 H new ATOM 0 HE2 LYS A 254 -11.095 8.960 3.063 1.00 0.79 H new ATOM 0 HE3 LYS A 254 -10.729 8.629 4.745 1.00 0.79 H new ATOM 0 HZ1 LYS A 254 -13.086 9.271 4.223 1.00 1.32 H new ATOM 0 HZ2 LYS A 254 -12.347 10.160 5.466 1.00 1.32 H new ATOM 0 HZ3 LYS A 254 -12.524 10.845 3.923 1.00 1.32 H new ATOM 558 N THR A 255 -9.141 9.114 -1.447 1.00 0.28 N ATOM 559 CA THR A 255 -8.539 8.028 -2.170 1.00 0.22 C ATOM 560 C THR A 255 -7.959 7.066 -1.164 1.00 0.15 C ATOM 561 O THR A 255 -6.841 7.237 -0.679 1.00 0.14 O ATOM 562 CB THR A 255 -7.495 8.431 -3.256 1.00 0.27 C ATOM 563 OG1 THR A 255 -6.949 9.733 -3.018 1.00 0.41 O ATOM 564 CG2 THR A 255 -8.125 8.396 -4.640 1.00 0.55 C ATOM 0 H THR A 255 -10.137 9.222 -1.637 1.00 0.28 H new ATOM 0 HA THR A 255 -9.328 7.560 -2.759 1.00 0.22 H new ATOM 0 HB THR A 255 -6.683 7.705 -3.201 1.00 0.27 H new ATOM 0 HG1 THR A 255 -6.647 9.796 -2.088 1.00 0.41 H new ATOM 0 HG21 THR A 255 -7.382 8.680 -5.385 1.00 0.55 H new ATOM 0 HG22 THR A 255 -8.484 7.389 -4.851 1.00 0.55 H new ATOM 0 HG23 THR A 255 -8.961 9.094 -4.677 1.00 0.55 H new ATOM 572 N ALA A 256 -8.815 6.160 -0.731 1.00 0.13 N ATOM 573 CA ALA A 256 -8.417 5.082 0.143 1.00 0.11 C ATOM 574 C ALA A 256 -8.713 3.702 -0.485 1.00 0.10 C ATOM 575 O ALA A 256 -9.457 3.602 -1.460 1.00 0.12 O ATOM 576 CB ALA A 256 -9.081 5.240 1.495 1.00 0.13 C ATOM 0 H ALA A 256 -9.805 6.154 -0.977 1.00 0.13 H new ATOM 0 HA ALA A 256 -7.337 5.132 0.285 1.00 0.11 H new ATOM 0 HB1 ALA A 256 -8.775 4.423 2.148 1.00 0.13 H new ATOM 0 HB2 ALA A 256 -8.782 6.190 1.938 1.00 0.13 H new ATOM 0 HB3 ALA A 256 -10.164 5.221 1.373 1.00 0.13 H new ATOM 582 N LEU A 257 -8.155 2.640 0.102 1.00 0.10 N ATOM 583 CA LEU A 257 -8.246 1.281 -0.470 1.00 0.09 C ATOM 584 C LEU A 257 -9.401 0.497 0.076 1.00 0.09 C ATOM 585 O LEU A 257 -9.433 0.207 1.269 1.00 0.11 O ATOM 586 CB LEU A 257 -6.985 0.470 -0.165 1.00 0.11 C ATOM 587 CG LEU A 257 -5.747 0.842 -0.933 1.00 0.19 C ATOM 588 CD1 LEU A 257 -6.064 1.199 -2.367 1.00 0.27 C ATOM 589 CD2 LEU A 257 -5.023 1.970 -0.241 1.00 0.21 C ATOM 0 H LEU A 257 -7.632 2.689 0.976 1.00 0.10 H new ATOM 0 HA LEU A 257 -8.376 1.431 -1.542 1.00 0.09 H new ATOM 0 HB2 LEU A 257 -6.768 0.564 0.899 1.00 0.11 H new ATOM 0 HB3 LEU A 257 -7.201 -0.581 -0.355 1.00 0.11 H new ATOM 0 HG LEU A 257 -5.093 -0.029 -0.958 1.00 0.19 H new ATOM 0 HD11 LEU A 257 -5.144 1.462 -2.888 1.00 0.27 H new ATOM 0 HD12 LEU A 257 -6.529 0.346 -2.860 1.00 0.27 H new ATOM 0 HD13 LEU A 257 -6.748 2.047 -2.388 1.00 0.27 H new ATOM 0 HD21 LEU A 257 -4.129 2.230 -0.807 1.00 0.21 H new ATOM 0 HD22 LEU A 257 -5.678 2.839 -0.179 1.00 0.21 H new ATOM 0 HD23 LEU A 257 -4.738 1.658 0.764 1.00 0.21 H new ATOM 601 N ALA A 258 -10.303 0.079 -0.802 1.00 0.10 N ATOM 602 CA ALA A 258 -11.431 -0.712 -0.366 1.00 0.11 C ATOM 603 C ALA A 258 -11.132 -2.169 -0.479 1.00 0.11 C ATOM 604 O ALA A 258 -11.308 -2.793 -1.525 1.00 0.14 O ATOM 605 CB ALA A 258 -12.650 -0.375 -1.165 1.00 0.14 C ATOM 0 H ALA A 258 -10.272 0.273 -1.803 1.00 0.10 H new ATOM 0 HA ALA A 258 -11.622 -0.478 0.681 1.00 0.11 H new ATOM 0 HB1 ALA A 258 -13.489 -0.981 -0.822 1.00 0.14 H new ATOM 0 HB2 ALA A 258 -12.889 0.681 -1.037 1.00 0.14 H new ATOM 0 HB3 ALA A 258 -12.462 -0.579 -2.219 1.00 0.14 H new ATOM 611 N LEU A 259 -10.678 -2.700 0.617 1.00 0.10 N ATOM 612 CA LEU A 259 -10.346 -4.099 0.700 1.00 0.12 C ATOM 613 C LEU A 259 -10.415 -4.575 2.136 1.00 0.12 C ATOM 614 O LEU A 259 -10.501 -3.768 3.061 1.00 0.12 O ATOM 615 CB LEU A 259 -8.950 -4.359 0.137 1.00 0.14 C ATOM 616 CG LEU A 259 -8.074 -3.123 0.010 1.00 0.11 C ATOM 617 CD1 LEU A 259 -6.654 -3.465 0.341 1.00 0.49 C ATOM 618 CD2 LEU A 259 -8.151 -2.541 -1.380 1.00 0.55 C ATOM 0 H LEU A 259 -10.526 -2.179 1.481 1.00 0.10 H new ATOM 0 HA LEU A 259 -11.072 -4.653 0.106 1.00 0.12 H new ATOM 0 HB2 LEU A 259 -8.444 -5.082 0.777 1.00 0.14 H new ATOM 0 HB3 LEU A 259 -9.050 -4.819 -0.846 1.00 0.14 H new ATOM 0 HG LEU A 259 -8.440 -2.375 0.713 1.00 0.11 H new ATOM 0 HD11 LEU A 259 -6.034 -2.574 0.247 1.00 0.49 H new ATOM 0 HD12 LEU A 259 -6.599 -3.840 1.363 1.00 0.49 H new ATOM 0 HD13 LEU A 259 -6.295 -4.231 -0.346 1.00 0.49 H new ATOM 0 HD21 LEU A 259 -7.514 -1.658 -1.441 1.00 0.55 H new ATOM 0 HD22 LEU A 259 -7.813 -3.282 -2.104 1.00 0.55 H new ATOM 0 HD23 LEU A 259 -9.181 -2.261 -1.601 1.00 0.55 H new ATOM 630 N GLU A 260 -10.358 -5.881 2.327 1.00 0.15 N ATOM 631 CA GLU A 260 -10.486 -6.441 3.659 1.00 0.16 C ATOM 632 C GLU A 260 -9.150 -6.984 4.135 1.00 0.15 C ATOM 633 O GLU A 260 -8.202 -7.117 3.374 1.00 0.16 O ATOM 634 CB GLU A 260 -11.564 -7.546 3.680 1.00 0.21 C ATOM 635 CG GLU A 260 -11.500 -8.475 4.892 1.00 0.23 C ATOM 636 CD GLU A 260 -12.827 -8.646 5.603 1.00 0.47 C ATOM 637 OE1 GLU A 260 -13.396 -7.632 6.062 1.00 0.75 O ATOM 638 OE2 GLU A 260 -13.286 -9.797 5.747 1.00 0.92 O ATOM 0 H GLU A 260 -10.225 -6.567 1.584 1.00 0.15 H new ATOM 0 HA GLU A 260 -10.797 -5.649 4.340 1.00 0.16 H new ATOM 0 HB2 GLU A 260 -12.547 -7.077 3.650 1.00 0.21 H new ATOM 0 HB3 GLU A 260 -11.469 -8.145 2.774 1.00 0.21 H new ATOM 0 HG2 GLU A 260 -11.143 -9.453 4.570 1.00 0.23 H new ATOM 0 HG3 GLU A 260 -10.768 -8.085 5.599 1.00 0.23 H new ATOM 645 N VAL A 261 -9.069 -7.208 5.416 1.00 0.16 N ATOM 646 CA VAL A 261 -8.058 -8.052 5.990 1.00 0.16 C ATOM 647 C VAL A 261 -7.925 -9.370 5.226 1.00 0.17 C ATOM 648 O VAL A 261 -8.892 -10.114 5.080 1.00 0.21 O ATOM 649 CB VAL A 261 -8.447 -8.371 7.426 1.00 0.19 C ATOM 650 CG1 VAL A 261 -7.475 -9.366 8.035 1.00 0.21 C ATOM 651 CG2 VAL A 261 -8.543 -7.084 8.207 1.00 0.18 C ATOM 0 H VAL A 261 -9.710 -6.805 6.099 1.00 0.16 H new ATOM 0 HA VAL A 261 -7.106 -7.524 5.941 1.00 0.16 H new ATOM 0 HB VAL A 261 -9.426 -8.850 7.455 1.00 0.19 H new ATOM 0 HG11 VAL A 261 -7.770 -9.581 9.062 1.00 0.21 H new ATOM 0 HG12 VAL A 261 -7.486 -10.288 7.454 1.00 0.21 H new ATOM 0 HG13 VAL A 261 -6.470 -8.944 8.027 1.00 0.21 H new ATOM 0 HG21 VAL A 261 -8.821 -7.304 9.238 1.00 0.18 H new ATOM 0 HG22 VAL A 261 -7.578 -6.577 8.192 1.00 0.18 H new ATOM 0 HG23 VAL A 261 -9.299 -6.440 7.756 1.00 0.18 H new ATOM 661 N GLY A 262 -6.733 -9.651 4.736 1.00 0.17 N ATOM 662 CA GLY A 262 -6.483 -10.915 4.090 1.00 0.18 C ATOM 663 C GLY A 262 -6.590 -10.810 2.600 1.00 0.17 C ATOM 664 O GLY A 262 -6.384 -11.778 1.867 1.00 0.19 O ATOM 0 H GLY A 262 -5.930 -9.023 4.775 1.00 0.17 H new ATOM 0 HA2 GLY A 262 -5.488 -11.270 4.359 1.00 0.18 H new ATOM 0 HA3 GLY A 262 -7.195 -11.656 4.454 1.00 0.18 H new ATOM 668 N GLU A 263 -6.935 -9.631 2.164 1.00 0.16 N ATOM 669 CA GLU A 263 -7.011 -9.319 0.766 1.00 0.17 C ATOM 670 C GLU A 263 -5.635 -8.900 0.273 1.00 0.13 C ATOM 671 O GLU A 263 -4.634 -9.218 0.896 1.00 0.11 O ATOM 672 CB GLU A 263 -8.076 -8.248 0.654 1.00 0.18 C ATOM 673 CG GLU A 263 -9.368 -8.753 1.266 1.00 0.21 C ATOM 674 CD GLU A 263 -10.319 -9.348 0.248 1.00 0.51 C ATOM 675 OE1 GLU A 263 -10.049 -10.467 -0.243 1.00 0.75 O ATOM 676 OE2 GLU A 263 -11.345 -8.704 -0.060 1.00 0.84 O ATOM 0 H GLU A 263 -7.174 -8.851 2.777 1.00 0.16 H new ATOM 0 HA GLU A 263 -7.291 -10.160 0.132 1.00 0.17 H new ATOM 0 HB2 GLU A 263 -7.750 -7.341 1.164 1.00 0.18 H new ATOM 0 HB3 GLU A 263 -8.235 -7.986 -0.392 1.00 0.18 H new ATOM 0 HG2 GLU A 263 -9.136 -9.506 2.019 1.00 0.21 H new ATOM 0 HG3 GLU A 263 -9.865 -7.930 1.780 1.00 0.21 H new ATOM 683 N LEU A 264 -5.566 -8.188 -0.810 1.00 0.17 N ATOM 684 CA LEU A 264 -4.275 -7.834 -1.382 1.00 0.18 C ATOM 685 C LEU A 264 -4.314 -6.398 -1.862 1.00 0.17 C ATOM 686 O LEU A 264 -5.349 -5.887 -2.282 1.00 0.31 O ATOM 687 CB LEU A 264 -4.001 -8.806 -2.522 1.00 0.48 C ATOM 688 CG LEU A 264 -2.589 -8.931 -3.153 1.00 0.31 C ATOM 689 CD1 LEU A 264 -2.115 -7.660 -3.803 1.00 0.36 C ATOM 690 CD2 LEU A 264 -1.552 -9.394 -2.157 1.00 0.83 C ATOM 0 H LEU A 264 -6.374 -7.836 -1.323 1.00 0.17 H new ATOM 0 HA LEU A 264 -3.474 -7.907 -0.647 1.00 0.18 H new ATOM 0 HB2 LEU A 264 -4.280 -9.798 -2.167 1.00 0.48 H new ATOM 0 HB3 LEU A 264 -4.688 -8.551 -3.329 1.00 0.48 H new ATOM 0 HG LEU A 264 -2.701 -9.688 -3.929 1.00 0.31 H new ATOM 0 HD11 LEU A 264 -1.122 -7.815 -4.224 1.00 0.36 H new ATOM 0 HD12 LEU A 264 -2.806 -7.378 -4.597 1.00 0.36 H new ATOM 0 HD13 LEU A 264 -2.073 -6.865 -3.059 1.00 0.36 H new ATOM 0 HD21 LEU A 264 -0.582 -9.465 -2.649 1.00 0.83 H new ATOM 0 HD22 LEU A 264 -1.491 -8.679 -1.336 1.00 0.83 H new ATOM 0 HD23 LEU A 264 -1.834 -10.372 -1.767 1.00 0.83 H new ATOM 702 N VAL A 265 -3.177 -5.775 -1.776 1.00 0.19 N ATOM 703 CA VAL A 265 -3.004 -4.394 -2.109 1.00 0.19 C ATOM 704 C VAL A 265 -1.616 -4.223 -2.723 1.00 0.24 C ATOM 705 O VAL A 265 -0.695 -4.920 -2.342 1.00 0.47 O ATOM 706 CB VAL A 265 -3.164 -3.547 -0.829 1.00 0.16 C ATOM 707 CG1 VAL A 265 -2.006 -3.705 0.110 1.00 0.25 C ATOM 708 CG2 VAL A 265 -3.290 -2.100 -1.105 1.00 0.27 C ATOM 0 H VAL A 265 -2.319 -6.228 -1.463 1.00 0.19 H new ATOM 0 HA VAL A 265 -3.751 -4.062 -2.830 1.00 0.19 H new ATOM 0 HB VAL A 265 -4.082 -3.923 -0.377 1.00 0.16 H new ATOM 0 HG11 VAL A 265 -2.168 -3.089 0.994 1.00 0.25 H new ATOM 0 HG12 VAL A 265 -1.919 -4.750 0.407 1.00 0.25 H new ATOM 0 HG13 VAL A 265 -1.088 -3.391 -0.388 1.00 0.25 H new ATOM 0 HG21 VAL A 265 -3.400 -1.559 -0.165 1.00 0.27 H new ATOM 0 HG22 VAL A 265 -2.398 -1.750 -1.624 1.00 0.27 H new ATOM 0 HG23 VAL A 265 -4.166 -1.924 -1.730 1.00 0.27 H new ATOM 718 N LYS A 266 -1.463 -3.331 -3.673 1.00 0.14 N ATOM 719 CA LYS A 266 -0.220 -3.254 -4.428 1.00 0.15 C ATOM 720 C LYS A 266 0.301 -1.842 -4.481 1.00 0.32 C ATOM 721 O LYS A 266 -0.323 -0.969 -5.060 1.00 0.74 O ATOM 722 CB LYS A 266 -0.464 -3.787 -5.836 1.00 0.26 C ATOM 723 CG LYS A 266 0.732 -3.645 -6.775 1.00 0.42 C ATOM 724 CD LYS A 266 0.564 -2.503 -7.777 1.00 0.57 C ATOM 725 CE LYS A 266 -0.830 -2.481 -8.399 1.00 0.96 C ATOM 726 NZ LYS A 266 -0.920 -1.551 -9.555 1.00 1.84 N ATOM 0 H LYS A 266 -2.173 -2.651 -3.945 1.00 0.14 H new ATOM 0 HA LYS A 266 0.536 -3.860 -3.930 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.738 -4.840 -5.771 1.00 0.26 H new ATOM 0 HB3 LYS A 266 -1.316 -3.262 -6.269 1.00 0.26 H new ATOM 0 HG2 LYS A 266 1.633 -3.476 -6.186 1.00 0.42 H new ATOM 0 HG3 LYS A 266 0.876 -4.580 -7.317 1.00 0.42 H new ATOM 0 HD2 LYS A 266 0.752 -1.553 -7.277 1.00 0.57 H new ATOM 0 HD3 LYS A 266 1.310 -2.601 -8.565 1.00 0.57 H new ATOM 0 HE2 LYS A 266 -1.096 -3.487 -8.724 1.00 0.96 H new ATOM 0 HE3 LYS A 266 -1.558 -2.188 -7.643 1.00 0.96 H new ATOM 0 HZ1 LYS A 266 -1.915 -1.442 -9.836 1.00 1.84 H new ATOM 0 HZ2 LYS A 266 -0.532 -0.624 -9.286 1.00 1.84 H new ATOM 0 HZ3 LYS A 266 -0.375 -1.936 -10.353 1.00 1.84 H new ATOM 740 N VAL A 267 1.472 -1.614 -3.930 1.00 0.14 N ATOM 741 CA VAL A 267 1.904 -0.262 -3.767 1.00 0.16 C ATOM 742 C VAL A 267 2.652 0.205 -5.005 1.00 0.20 C ATOM 743 O VAL A 267 3.764 -0.220 -5.310 1.00 0.23 O ATOM 744 CB VAL A 267 2.706 -0.053 -2.476 1.00 0.20 C ATOM 745 CG1 VAL A 267 4.089 -0.691 -2.531 1.00 0.31 C ATOM 746 CG2 VAL A 267 2.757 1.423 -2.152 1.00 0.22 C ATOM 0 H VAL A 267 2.119 -2.330 -3.599 1.00 0.14 H new ATOM 0 HA VAL A 267 1.018 0.363 -3.659 1.00 0.16 H new ATOM 0 HB VAL A 267 2.194 -0.569 -1.664 1.00 0.20 H new ATOM 0 HG11 VAL A 267 4.610 -0.511 -1.591 1.00 0.31 H new ATOM 0 HG12 VAL A 267 3.988 -1.765 -2.690 1.00 0.31 H new ATOM 0 HG13 VAL A 267 4.659 -0.254 -3.351 1.00 0.31 H new ATOM 0 HG21 VAL A 267 3.326 1.575 -1.235 1.00 0.22 H new ATOM 0 HG22 VAL A 267 3.238 1.959 -2.970 1.00 0.22 H new ATOM 0 HG23 VAL A 267 1.744 1.801 -2.017 1.00 0.22 H new ATOM 756 N THR A 268 1.994 1.101 -5.692 1.00 0.21 N ATOM 757 CA THR A 268 2.361 1.532 -7.009 1.00 0.24 C ATOM 758 C THR A 268 2.617 3.032 -7.051 1.00 0.24 C ATOM 759 O THR A 268 3.000 3.577 -8.084 1.00 0.35 O ATOM 760 CB THR A 268 1.192 1.218 -7.955 1.00 0.26 C ATOM 761 OG1 THR A 268 1.432 1.741 -9.267 1.00 0.31 O ATOM 762 CG2 THR A 268 -0.101 1.797 -7.378 1.00 0.24 C ATOM 0 H THR A 268 1.159 1.565 -5.335 1.00 0.21 H new ATOM 0 HA THR A 268 3.274 1.015 -7.305 1.00 0.24 H new ATOM 0 HB THR A 268 1.097 0.136 -8.043 1.00 0.26 H new ATOM 0 HG1 THR A 268 2.034 2.512 -9.207 1.00 0.31 H new ATOM 0 HG21 THR A 268 -0.931 1.574 -8.049 1.00 0.24 H new ATOM 0 HG22 THR A 268 -0.295 1.353 -6.402 1.00 0.24 H new ATOM 0 HG23 THR A 268 -0.000 2.877 -7.272 1.00 0.24 H new ATOM 770 N LYS A 269 2.380 3.711 -5.948 1.00 0.20 N ATOM 771 CA LYS A 269 2.436 5.152 -5.954 1.00 0.23 C ATOM 772 C LYS A 269 3.397 5.648 -4.898 1.00 0.28 C ATOM 773 O LYS A 269 3.055 5.715 -3.734 1.00 0.45 O ATOM 774 CB LYS A 269 1.051 5.726 -5.666 1.00 0.25 C ATOM 775 CG LYS A 269 0.919 7.226 -5.905 1.00 0.49 C ATOM 776 CD LYS A 269 1.451 7.654 -7.266 1.00 0.59 C ATOM 777 CE LYS A 269 2.760 8.415 -7.123 1.00 0.49 C ATOM 778 NZ LYS A 269 2.572 9.674 -6.362 1.00 1.40 N ATOM 0 H LYS A 269 2.150 3.292 -5.047 1.00 0.20 H new ATOM 0 HA LYS A 269 2.778 5.477 -6.937 1.00 0.23 H new ATOM 0 HB2 LYS A 269 0.322 5.207 -6.288 1.00 0.25 H new ATOM 0 HB3 LYS A 269 0.793 5.513 -4.628 1.00 0.25 H new ATOM 0 HG2 LYS A 269 -0.130 7.512 -5.823 1.00 0.49 H new ATOM 0 HG3 LYS A 269 1.457 7.763 -5.124 1.00 0.49 H new ATOM 0 HD2 LYS A 269 1.603 6.776 -7.894 1.00 0.59 H new ATOM 0 HD3 LYS A 269 0.714 8.281 -7.768 1.00 0.59 H new ATOM 0 HE2 LYS A 269 3.494 7.788 -6.617 1.00 0.49 H new ATOM 0 HE3 LYS A 269 3.161 8.641 -8.111 1.00 0.49 H new ATOM 0 HZ1 LYS A 269 3.261 10.382 -6.686 1.00 1.40 H new ATOM 0 HZ2 LYS A 269 1.608 10.033 -6.517 1.00 1.40 H new ATOM 0 HZ3 LYS A 269 2.714 9.491 -5.348 1.00 1.40 H new ATOM 792 N ILE A 270 4.589 6.007 -5.292 1.00 0.31 N ATOM 793 CA ILE A 270 5.513 6.600 -4.348 1.00 0.34 C ATOM 794 C ILE A 270 5.224 8.084 -4.231 1.00 0.38 C ATOM 795 O ILE A 270 5.513 8.862 -5.141 1.00 0.42 O ATOM 796 CB ILE A 270 6.989 6.397 -4.724 1.00 0.39 C ATOM 797 CG1 ILE A 270 7.150 5.492 -5.948 1.00 0.57 C ATOM 798 CG2 ILE A 270 7.746 5.812 -3.546 1.00 0.61 C ATOM 799 CD1 ILE A 270 6.824 6.159 -7.271 1.00 1.44 C ATOM 0 H ILE A 270 4.944 5.904 -6.243 1.00 0.31 H new ATOM 0 HA ILE A 270 5.360 6.092 -3.396 1.00 0.34 H new ATOM 0 HB ILE A 270 7.401 7.373 -4.980 1.00 0.39 H new ATOM 0 HG12 ILE A 270 8.177 5.128 -5.982 1.00 0.57 H new ATOM 0 HG13 ILE A 270 6.507 4.620 -5.827 1.00 0.57 H new ATOM 0 HG21 ILE A 270 8.792 5.671 -3.819 1.00 0.61 H new ATOM 0 HG22 ILE A 270 7.682 6.493 -2.698 1.00 0.61 H new ATOM 0 HG23 ILE A 270 7.309 4.851 -3.274 1.00 0.61 H new ATOM 0 HD11 ILE A 270 6.965 5.445 -8.083 1.00 1.44 H new ATOM 0 HD12 ILE A 270 5.788 6.498 -7.262 1.00 1.44 H new ATOM 0 HD13 ILE A 270 7.484 7.013 -7.420 1.00 1.44 H new ATOM 877 N TRP A 276 2.531 5.569 1.282 1.00 0.41 N ATOM 878 CA TRP A 276 2.289 5.700 -0.132 1.00 0.33 C ATOM 879 C TRP A 276 0.899 5.228 -0.475 1.00 0.23 C ATOM 880 O TRP A 276 0.116 4.847 0.403 1.00 0.22 O ATOM 881 CB TRP A 276 3.307 4.933 -0.975 1.00 0.41 C ATOM 882 CG TRP A 276 4.612 4.649 -0.298 1.00 0.62 C ATOM 883 CD1 TRP A 276 4.957 3.503 0.349 1.00 0.98 C ATOM 884 CD2 TRP A 276 5.747 5.515 -0.209 1.00 0.58 C ATOM 885 NE1 TRP A 276 6.233 3.608 0.839 1.00 1.10 N ATOM 886 CE2 TRP A 276 6.741 4.831 0.508 1.00 0.86 C ATOM 887 CE3 TRP A 276 6.015 6.796 -0.669 1.00 0.52 C ATOM 888 CZ2 TRP A 276 7.985 5.394 0.784 1.00 0.93 C ATOM 889 CZ3 TRP A 276 7.250 7.359 -0.399 1.00 0.69 C ATOM 890 CH2 TRP A 276 8.223 6.656 0.321 1.00 0.82 C ATOM 0 HA TRP A 276 2.392 6.759 -0.369 1.00 0.33 H new ATOM 0 HB2 TRP A 276 2.861 3.986 -1.281 1.00 0.41 H new ATOM 0 HB3 TRP A 276 3.504 5.501 -1.884 1.00 0.41 H new ATOM 0 HD1 TRP A 276 4.320 2.638 0.460 1.00 0.98 H new ATOM 0 HE1 TRP A 276 6.725 2.887 1.367 1.00 1.10 H new ATOM 0 HE3 TRP A 276 5.272 7.345 -1.229 1.00 0.52 H new ATOM 0 HZ2 TRP A 276 8.733 4.852 1.343 1.00 0.93 H new ATOM 0 HZ3 TRP A 276 7.467 8.357 -0.750 1.00 0.69 H new ATOM 0 HH2 TRP A 276 9.179 7.120 0.514 1.00 0.82 H new ATOM 901 N GLU A 277 0.604 5.265 -1.756 1.00 0.19 N ATOM 902 CA GLU A 277 -0.690 4.923 -2.250 1.00 0.16 C ATOM 903 C GLU A 277 -0.653 3.597 -2.912 1.00 0.19 C ATOM 904 O GLU A 277 0.139 3.368 -3.788 1.00 0.48 O ATOM 905 CB GLU A 277 -1.160 5.989 -3.214 1.00 0.15 C ATOM 906 CG GLU A 277 -1.881 7.108 -2.504 1.00 0.23 C ATOM 907 CD GLU A 277 -2.153 8.310 -3.382 1.00 0.27 C ATOM 908 OE1 GLU A 277 -1.398 8.521 -4.355 1.00 1.03 O ATOM 909 OE2 GLU A 277 -3.125 9.039 -3.120 1.00 0.92 O ATOM 0 H GLU A 277 1.268 5.537 -2.481 1.00 0.19 H new ATOM 0 HA GLU A 277 -1.391 4.866 -1.417 1.00 0.16 H new ATOM 0 HB2 GLU A 277 -0.304 6.393 -3.754 1.00 0.15 H new ATOM 0 HB3 GLU A 277 -1.823 5.542 -3.955 1.00 0.15 H new ATOM 0 HG2 GLU A 277 -2.827 6.730 -2.117 1.00 0.23 H new ATOM 0 HG3 GLU A 277 -1.288 7.423 -1.645 1.00 0.23 H new ATOM 916 N GLY A 278 -1.515 2.733 -2.471 1.00 0.39 N ATOM 917 CA GLY A 278 -1.629 1.466 -3.065 1.00 0.34 C ATOM 918 C GLY A 278 -2.717 1.459 -4.094 1.00 0.28 C ATOM 919 O GLY A 278 -3.457 2.430 -4.245 1.00 0.32 O ATOM 0 H GLY A 278 -2.151 2.899 -1.691 1.00 0.39 H new ATOM 0 HA2 GLY A 278 -0.682 1.190 -3.528 1.00 0.34 H new ATOM 0 HA3 GLY A 278 -1.840 0.718 -2.301 1.00 0.34 H new ATOM 923 N GLU A 279 -2.811 0.364 -4.786 1.00 0.22 N ATOM 924 CA GLU A 279 -3.804 0.163 -5.777 1.00 0.18 C ATOM 925 C GLU A 279 -4.077 -1.310 -5.834 1.00 0.13 C ATOM 926 O GLU A 279 -3.205 -2.117 -6.152 1.00 0.14 O ATOM 927 CB GLU A 279 -3.378 0.668 -7.131 1.00 0.25 C ATOM 928 CG GLU A 279 -4.527 0.610 -8.096 1.00 0.27 C ATOM 929 CD GLU A 279 -4.471 -0.587 -9.015 1.00 0.66 C ATOM 930 OE1 GLU A 279 -3.459 -0.752 -9.728 1.00 1.08 O ATOM 931 OE2 GLU A 279 -5.444 -1.367 -9.028 1.00 0.99 O ATOM 0 H GLU A 279 -2.180 -0.429 -4.668 1.00 0.22 H new ATOM 0 HA GLU A 279 -4.698 0.727 -5.512 1.00 0.18 H new ATOM 0 HB2 GLU A 279 -3.017 1.693 -7.047 1.00 0.25 H new ATOM 0 HB3 GLU A 279 -2.549 0.068 -7.506 1.00 0.25 H new ATOM 0 HG2 GLU A 279 -5.462 0.587 -7.537 1.00 0.27 H new ATOM 0 HG3 GLU A 279 -4.536 1.520 -8.695 1.00 0.27 H new ATOM 938 N CYS A 280 -5.259 -1.650 -5.446 1.00 0.10 N ATOM 939 CA CYS A 280 -5.632 -3.017 -5.285 1.00 0.12 C ATOM 940 C CYS A 280 -6.759 -3.389 -6.220 1.00 0.15 C ATOM 941 O CYS A 280 -7.921 -3.195 -5.886 1.00 0.19 O ATOM 942 CB CYS A 280 -6.078 -3.150 -3.865 1.00 0.17 C ATOM 943 SG CYS A 280 -5.597 -1.746 -2.874 1.00 1.52 S ATOM 0 H CYS A 280 -6.000 -0.983 -5.230 1.00 0.10 H new ATOM 0 HA CYS A 280 -4.799 -3.680 -5.518 1.00 0.12 H new ATOM 0 HB2 CYS A 280 -7.162 -3.260 -3.835 1.00 0.17 H new ATOM 0 HB3 CYS A 280 -5.654 -4.058 -3.436 1.00 0.17 H new ATOM 0 HG CYS A 280 -4.396 -1.374 -3.203 1.00 1.52 H new ATOM 949 N ASN A 281 -6.409 -3.902 -7.388 1.00 0.18 N ATOM 950 CA ASN A 281 -7.402 -4.351 -8.368 1.00 0.25 C ATOM 951 C ASN A 281 -8.517 -3.322 -8.565 1.00 0.23 C ATOM 952 O ASN A 281 -9.683 -3.676 -8.739 1.00 0.32 O ATOM 953 CB ASN A 281 -8.001 -5.699 -7.952 1.00 0.33 C ATOM 954 CG ASN A 281 -7.134 -6.888 -8.337 1.00 0.48 C ATOM 955 OD1 ASN A 281 -5.823 -6.695 -8.396 1.00 1.04 O flip ATOM 956 ND2 ASN A 281 -7.648 -7.980 -8.588 1.00 0.69 N flip ATOM 0 H ASN A 281 -5.441 -4.021 -7.688 1.00 0.18 H new ATOM 0 HA ASN A 281 -6.883 -4.468 -9.320 1.00 0.25 H new ATOM 0 HB2 ASN A 281 -8.153 -5.703 -6.873 1.00 0.33 H new ATOM 0 HB3 ASN A 281 -8.983 -5.810 -8.412 1.00 0.33 H new ATOM 0 HD21 ASN A 281 -8.660 -8.092 -8.532 1.00 0.69 H new ATOM 0 HD22 ASN A 281 -7.061 -8.772 -8.851 1.00 0.69 H new ATOM 963 N GLY A 282 -8.152 -2.049 -8.558 1.00 0.17 N ATOM 964 CA GLY A 282 -9.118 -1.010 -8.809 1.00 0.18 C ATOM 965 C GLY A 282 -9.530 -0.235 -7.572 1.00 0.16 C ATOM 966 O GLY A 282 -10.508 0.509 -7.601 1.00 0.28 O ATOM 0 H GLY A 282 -7.202 -1.721 -8.382 1.00 0.17 H new ATOM 0 HA2 GLY A 282 -8.706 -0.314 -9.540 1.00 0.18 H new ATOM 0 HA3 GLY A 282 -10.006 -1.455 -9.258 1.00 0.18 H new ATOM 970 N LYS A 283 -8.802 -0.404 -6.478 1.00 0.10 N ATOM 971 CA LYS A 283 -8.891 0.536 -5.375 1.00 0.10 C ATOM 972 C LYS A 283 -7.570 1.221 -5.268 1.00 0.09 C ATOM 973 O LYS A 283 -6.535 0.600 -5.467 1.00 0.12 O ATOM 974 CB LYS A 283 -9.187 -0.079 -4.005 1.00 0.11 C ATOM 975 CG LYS A 283 -10.453 -0.913 -3.924 1.00 0.15 C ATOM 976 CD LYS A 283 -10.290 -2.284 -4.558 1.00 0.14 C ATOM 977 CE LYS A 283 -11.607 -3.018 -4.609 1.00 0.24 C ATOM 978 NZ LYS A 283 -11.608 -4.128 -5.594 1.00 0.38 N ATOM 0 H LYS A 283 -8.150 -1.175 -6.332 1.00 0.10 H new ATOM 0 HA LYS A 283 -9.730 1.193 -5.606 1.00 0.10 H new ATOM 0 HB2 LYS A 283 -8.342 -0.704 -3.716 1.00 0.11 H new ATOM 0 HB3 LYS A 283 -9.254 0.725 -3.272 1.00 0.11 H new ATOM 0 HG2 LYS A 283 -10.739 -1.032 -2.879 1.00 0.15 H new ATOM 0 HG3 LYS A 283 -11.266 -0.382 -4.419 1.00 0.15 H new ATOM 0 HD2 LYS A 283 -9.890 -2.177 -5.566 1.00 0.14 H new ATOM 0 HD3 LYS A 283 -9.566 -2.868 -3.989 1.00 0.14 H new ATOM 0 HE2 LYS A 283 -11.835 -3.416 -3.620 1.00 0.24 H new ATOM 0 HE3 LYS A 283 -12.401 -2.314 -4.860 1.00 0.24 H new ATOM 0 HZ1 LYS A 283 -12.536 -4.597 -5.587 1.00 0.38 H new ATOM 0 HZ2 LYS A 283 -11.418 -3.749 -6.544 1.00 0.38 H new ATOM 0 HZ3 LYS A 283 -10.870 -4.816 -5.342 1.00 0.38 H new ATOM 992 N ARG A 284 -7.600 2.484 -4.952 1.00 0.07 N ATOM 993 CA ARG A 284 -6.388 3.247 -4.787 1.00 0.09 C ATOM 994 C ARG A 284 -6.529 4.176 -3.613 1.00 0.11 C ATOM 995 O ARG A 284 -7.620 4.664 -3.330 1.00 0.13 O ATOM 996 CB ARG A 284 -6.057 4.039 -6.021 1.00 0.11 C ATOM 997 CG ARG A 284 -6.241 3.223 -7.263 1.00 0.20 C ATOM 998 CD ARG A 284 -5.504 3.825 -8.428 1.00 0.35 C ATOM 999 NE ARG A 284 -5.796 3.150 -9.692 1.00 0.68 N ATOM 1000 CZ ARG A 284 -5.402 3.598 -10.882 1.00 1.10 C ATOM 1001 NH1 ARG A 284 -4.792 4.771 -10.990 1.00 1.42 N ATOM 1002 NH2 ARG A 284 -5.638 2.875 -11.969 1.00 1.46 N ATOM 0 H ARG A 284 -8.458 3.015 -4.801 1.00 0.07 H new ATOM 0 HA ARG A 284 -5.573 2.545 -4.611 1.00 0.09 H new ATOM 0 HB2 ARG A 284 -6.692 4.923 -6.068 1.00 0.11 H new ATOM 0 HB3 ARG A 284 -5.026 4.389 -5.964 1.00 0.11 H new ATOM 0 HG2 ARG A 284 -5.884 2.208 -7.090 1.00 0.20 H new ATOM 0 HG3 ARG A 284 -7.303 3.151 -7.500 1.00 0.20 H new ATOM 0 HD2 ARG A 284 -5.769 4.879 -8.514 1.00 0.35 H new ATOM 0 HD3 ARG A 284 -4.432 3.780 -8.236 1.00 0.35 H new ATOM 0 HE ARG A 284 -6.334 2.284 -9.660 1.00 0.68 H new ATOM 0 HH11 ARG A 284 -4.622 5.336 -10.158 1.00 1.42 H new ATOM 0 HH12 ARG A 284 -4.493 5.108 -11.905 1.00 1.42 H new ATOM 0 HH21 ARG A 284 -6.120 1.979 -11.891 1.00 1.46 H new ATOM 0 HH22 ARG A 284 -5.338 3.215 -12.883 1.00 1.46 H new ATOM 1016 N GLY A 285 -5.434 4.434 -2.956 1.00 0.13 N ATOM 1017 CA GLY A 285 -5.478 5.211 -1.754 1.00 0.14 C ATOM 1018 C GLY A 285 -4.231 5.058 -0.942 1.00 0.15 C ATOM 1019 O GLY A 285 -3.325 4.396 -1.368 1.00 0.24 O ATOM 0 H GLY A 285 -4.504 4.118 -3.232 1.00 0.13 H new ATOM 0 HA2 GLY A 285 -5.620 6.262 -2.007 1.00 0.14 H new ATOM 0 HA3 GLY A 285 -6.339 4.908 -1.158 1.00 0.14 H new ATOM 1023 N HIS A 286 -4.187 5.617 0.245 1.00 0.11 N ATOM 1024 CA HIS A 286 -2.966 5.634 1.017 1.00 0.12 C ATOM 1025 C HIS A 286 -3.199 5.083 2.384 1.00 0.12 C ATOM 1026 O HIS A 286 -4.246 5.313 2.979 1.00 0.15 O ATOM 1027 CB HIS A 286 -2.421 7.056 1.117 1.00 0.14 C ATOM 1028 CG HIS A 286 -3.482 8.120 1.115 1.00 0.15 C ATOM 1029 ND1 HIS A 286 -4.358 8.334 2.161 1.00 0.21 N ATOM 1030 CD2 HIS A 286 -3.819 9.010 0.160 1.00 0.19 C ATOM 1031 CE1 HIS A 286 -5.188 9.312 1.840 1.00 0.25 C ATOM 1032 NE2 HIS A 286 -4.879 9.739 0.632 1.00 0.23 N ATOM 0 H HIS A 286 -4.983 6.066 0.697 1.00 0.11 H new ATOM 0 HA HIS A 286 -2.233 5.008 0.508 1.00 0.12 H new ATOM 0 HB2 HIS A 286 -1.833 7.145 2.031 1.00 0.14 H new ATOM 0 HB3 HIS A 286 -1.742 7.233 0.283 1.00 0.14 H new ATOM 0 HD2 HIS A 286 -3.341 9.127 -0.801 1.00 0.19 H new ATOM 0 HE1 HIS A 286 -5.983 9.696 2.462 1.00 0.25 H new ATOM 0 HE2 HIS A 286 -5.352 10.490 0.130 1.00 0.23 H new ATOM 1041 N PHE A 287 -2.198 4.386 2.884 1.00 0.10 N ATOM 1042 CA PHE A 287 -2.350 3.604 4.101 1.00 0.11 C ATOM 1043 C PHE A 287 -0.987 3.086 4.568 1.00 0.15 C ATOM 1044 O PHE A 287 -0.185 2.622 3.757 1.00 0.23 O ATOM 1045 CB PHE A 287 -3.279 2.392 3.875 1.00 0.12 C ATOM 1046 CG PHE A 287 -4.774 2.622 3.952 1.00 0.10 C ATOM 1047 CD1 PHE A 287 -5.336 3.412 4.938 1.00 0.12 C ATOM 1048 CD2 PHE A 287 -5.618 2.029 3.024 1.00 0.09 C ATOM 1049 CE1 PHE A 287 -6.702 3.610 4.996 1.00 0.13 C ATOM 1050 CE2 PHE A 287 -6.982 2.222 3.074 1.00 0.09 C ATOM 1051 CZ PHE A 287 -7.526 3.015 4.062 1.00 0.12 C ATOM 0 H PHE A 287 -1.268 4.343 2.468 1.00 0.10 H new ATOM 0 HA PHE A 287 -2.788 4.257 4.856 1.00 0.11 H new ATOM 0 HB2 PHE A 287 -3.055 1.977 2.892 1.00 0.12 H new ATOM 0 HB3 PHE A 287 -3.019 1.630 4.610 1.00 0.12 H new ATOM 0 HD1 PHE A 287 -4.698 3.881 5.673 1.00 0.12 H new ATOM 0 HD2 PHE A 287 -5.199 1.405 2.249 1.00 0.09 H new ATOM 0 HE1 PHE A 287 -7.125 4.230 5.772 1.00 0.13 H new ATOM 0 HE2 PHE A 287 -7.623 1.753 2.341 1.00 0.09 H new ATOM 0 HZ PHE A 287 -8.594 3.170 4.105 1.00 0.12 H new ATOM 1061 N PRO A 288 -0.710 3.178 5.878 1.00 0.17 N ATOM 1062 CA PRO A 288 0.508 2.643 6.501 1.00 0.23 C ATOM 1063 C PRO A 288 0.757 1.162 6.226 1.00 0.18 C ATOM 1064 O PRO A 288 -0.143 0.410 5.846 1.00 0.16 O ATOM 1065 CB PRO A 288 0.273 2.867 8.002 1.00 0.35 C ATOM 1066 CG PRO A 288 -1.182 3.144 8.121 1.00 0.33 C ATOM 1067 CD PRO A 288 -1.526 3.877 6.869 1.00 0.23 C ATOM 0 HA PRO A 288 1.391 3.139 6.099 1.00 0.23 H new ATOM 0 HB2 PRO A 288 0.557 1.989 8.582 1.00 0.35 H new ATOM 0 HB3 PRO A 288 0.866 3.702 8.375 1.00 0.35 H new ATOM 0 HG2 PRO A 288 -1.756 2.222 8.211 1.00 0.33 H new ATOM 0 HG3 PRO A 288 -1.401 3.743 9.005 1.00 0.33 H new ATOM 0 HD2 PRO A 288 -2.590 3.816 6.639 1.00 0.23 H new ATOM 0 HD3 PRO A 288 -1.274 4.936 6.933 1.00 0.23 H new ATOM 1075 N PHE A 289 2.006 0.767 6.413 1.00 0.23 N ATOM 1076 CA PHE A 289 2.418 -0.633 6.290 1.00 0.26 C ATOM 1077 C PHE A 289 1.966 -1.438 7.495 1.00 0.23 C ATOM 1078 O PHE A 289 1.967 -2.668 7.469 1.00 0.26 O ATOM 1079 CB PHE A 289 3.936 -0.736 6.126 1.00 0.38 C ATOM 1080 CG PHE A 289 4.507 -2.105 6.395 1.00 0.29 C ATOM 1081 CD1 PHE A 289 4.528 -3.061 5.403 1.00 0.26 C ATOM 1082 CD2 PHE A 289 5.026 -2.427 7.636 1.00 0.32 C ATOM 1083 CE1 PHE A 289 5.056 -4.317 5.635 1.00 0.26 C ATOM 1084 CE2 PHE A 289 5.551 -3.680 7.880 1.00 0.31 C ATOM 1085 CZ PHE A 289 5.568 -4.627 6.877 1.00 0.26 C ATOM 0 H PHE A 289 2.766 1.403 6.654 1.00 0.23 H new ATOM 0 HA PHE A 289 1.942 -1.046 5.401 1.00 0.26 H new ATOM 0 HB2 PHE A 289 4.199 -0.441 5.110 1.00 0.38 H new ATOM 0 HB3 PHE A 289 4.410 -0.021 6.799 1.00 0.38 H new ATOM 0 HD1 PHE A 289 4.126 -2.825 4.429 1.00 0.26 H new ATOM 0 HD2 PHE A 289 5.020 -1.689 8.424 1.00 0.32 H new ATOM 0 HE1 PHE A 289 5.067 -5.054 4.845 1.00 0.26 H new ATOM 0 HE2 PHE A 289 5.948 -3.919 8.855 1.00 0.31 H new ATOM 0 HZ PHE A 289 5.981 -5.607 7.064 1.00 0.26 H new ATOM 1095 N THR A 290 1.537 -0.728 8.524 1.00 0.24 N ATOM 1096 CA THR A 290 1.153 -1.307 9.800 1.00 0.27 C ATOM 1097 C THR A 290 0.036 -2.347 9.677 1.00 0.23 C ATOM 1098 O THR A 290 -0.440 -2.874 10.681 1.00 0.28 O ATOM 1099 CB THR A 290 0.700 -0.190 10.748 1.00 0.36 C ATOM 1100 OG1 THR A 290 -0.332 0.583 10.120 1.00 0.62 O ATOM 1101 CG2 THR A 290 1.867 0.718 11.106 1.00 0.44 C ATOM 0 H THR A 290 1.444 0.287 8.495 1.00 0.24 H new ATOM 0 HA THR A 290 2.029 -1.823 10.192 1.00 0.27 H new ATOM 0 HB THR A 290 0.318 -0.644 11.662 1.00 0.36 H new ATOM 0 HG1 THR A 290 -0.622 1.296 10.727 1.00 0.62 H new ATOM 0 HG21 THR A 290 1.524 1.503 11.779 1.00 0.44 H new ATOM 0 HG22 THR A 290 2.645 0.134 11.597 1.00 0.44 H new ATOM 0 HG23 THR A 290 2.269 1.168 10.199 1.00 0.44 H new ATOM 1109 N HIS A 291 -0.385 -2.642 8.453 1.00 0.17 N ATOM 1110 CA HIS A 291 -1.514 -3.507 8.242 1.00 0.16 C ATOM 1111 C HIS A 291 -1.378 -4.251 6.927 1.00 0.14 C ATOM 1112 O HIS A 291 -2.382 -4.660 6.337 1.00 0.13 O ATOM 1113 CB HIS A 291 -2.818 -2.716 8.241 1.00 0.20 C ATOM 1114 CG HIS A 291 -2.839 -1.548 7.304 1.00 0.30 C ATOM 1115 ND1 HIS A 291 -3.054 -0.246 7.696 1.00 0.40 N ATOM 1116 CD2 HIS A 291 -2.718 -1.513 5.965 1.00 0.94 C ATOM 1117 CE1 HIS A 291 -3.063 0.532 6.629 1.00 0.19 C ATOM 1118 NE2 HIS A 291 -2.856 -0.214 5.568 1.00 0.77 N ATOM 0 H HIS A 291 0.046 -2.289 7.598 1.00 0.17 H new ATOM 0 HA HIS A 291 -1.537 -4.224 9.063 1.00 0.16 H new ATOM 0 HB2 HIS A 291 -3.635 -3.389 7.980 1.00 0.20 H new ATOM 0 HB3 HIS A 291 -3.011 -2.357 9.252 1.00 0.20 H new ATOM 0 HD1 HIS A 291 -3.185 0.068 8.658 1.00 0.40 H new ATOM 0 HD2 HIS A 291 -2.543 -2.361 5.319 1.00 0.94 H new ATOM 0 HE1 HIS A 291 -3.215 1.601 6.629 1.00 0.19 H new ATOM 1127 N VAL A 292 -0.158 -4.386 6.432 1.00 0.16 N ATOM 1128 CA VAL A 292 0.067 -5.205 5.254 1.00 0.15 C ATOM 1129 C VAL A 292 1.207 -6.147 5.443 1.00 0.19 C ATOM 1130 O VAL A 292 2.216 -5.858 6.084 1.00 0.22 O ATOM 1131 CB VAL A 292 0.324 -4.354 3.991 1.00 0.14 C ATOM 1132 CG1 VAL A 292 -0.865 -3.495 3.676 1.00 0.17 C ATOM 1133 CG2 VAL A 292 1.549 -3.489 4.177 1.00 0.31 C ATOM 0 H VAL A 292 0.677 -3.947 6.820 1.00 0.16 H new ATOM 0 HA VAL A 292 -0.850 -5.776 5.112 1.00 0.15 H new ATOM 0 HB VAL A 292 0.493 -5.033 3.155 1.00 0.14 H new ATOM 0 HG11 VAL A 292 -0.661 -2.905 2.783 1.00 0.17 H new ATOM 0 HG12 VAL A 292 -1.735 -4.128 3.502 1.00 0.17 H new ATOM 0 HG13 VAL A 292 -1.064 -2.827 4.514 1.00 0.17 H new ATOM 0 HG21 VAL A 292 1.716 -2.896 3.278 1.00 0.31 H new ATOM 0 HG22 VAL A 292 1.399 -2.824 5.028 1.00 0.31 H new ATOM 0 HG23 VAL A 292 2.417 -4.122 4.360 1.00 0.31 H new ATOM 1143 N ARG A 293 0.974 -7.297 4.902 1.00 0.22 N ATOM 1144 CA ARG A 293 1.991 -8.254 4.659 1.00 0.21 C ATOM 1145 C ARG A 293 2.384 -7.982 3.248 1.00 0.32 C ATOM 1146 O ARG A 293 1.599 -7.394 2.536 1.00 0.70 O ATOM 1147 CB ARG A 293 1.404 -9.642 4.763 1.00 0.19 C ATOM 1148 CG ARG A 293 0.272 -9.734 5.755 1.00 0.17 C ATOM 1149 CD ARG A 293 -0.598 -10.934 5.492 1.00 0.26 C ATOM 1150 NE ARG A 293 0.170 -12.173 5.401 1.00 0.27 N ATOM 1151 CZ ARG A 293 -0.367 -13.377 5.219 1.00 0.52 C ATOM 1152 NH1 ARG A 293 -1.685 -13.519 5.134 1.00 1.09 N ATOM 1153 NH2 ARG A 293 0.417 -14.445 5.135 1.00 0.60 N ATOM 0 H ARG A 293 0.045 -7.601 4.611 1.00 0.22 H new ATOM 0 HA ARG A 293 2.825 -8.194 5.359 1.00 0.21 H new ATOM 0 HB2 ARG A 293 1.045 -9.952 3.782 1.00 0.19 H new ATOM 0 HB3 ARG A 293 2.189 -10.341 5.051 1.00 0.19 H new ATOM 0 HG2 ARG A 293 0.677 -9.791 6.766 1.00 0.17 H new ATOM 0 HG3 ARG A 293 -0.332 -8.828 5.704 1.00 0.17 H new ATOM 0 HD2 ARG A 293 -1.336 -11.025 6.289 1.00 0.26 H new ATOM 0 HD3 ARG A 293 -1.149 -10.783 4.564 1.00 0.26 H new ATOM 0 HE ARG A 293 1.185 -12.111 5.482 1.00 0.27 H new ATOM 0 HH11 ARG A 293 -2.292 -12.702 5.208 1.00 1.09 H new ATOM 0 HH12 ARG A 293 -2.090 -14.445 4.994 1.00 1.09 H new ATOM 0 HH21 ARG A 293 1.429 -14.342 5.210 1.00 0.60 H new ATOM 0 HH22 ARG A 293 0.007 -15.369 4.996 1.00 0.60 H new ATOM 1167 N LEU A 294 3.560 -8.306 2.828 1.00 0.18 N ATOM 1168 CA LEU A 294 3.831 -8.152 1.420 1.00 0.18 C ATOM 1169 C LEU A 294 4.171 -9.444 0.720 1.00 0.21 C ATOM 1170 O LEU A 294 4.619 -10.429 1.306 1.00 0.30 O ATOM 1171 CB LEU A 294 4.934 -7.147 1.135 1.00 0.22 C ATOM 1172 CG LEU A 294 5.137 -6.026 2.156 1.00 0.30 C ATOM 1173 CD1 LEU A 294 6.291 -5.139 1.735 1.00 0.66 C ATOM 1174 CD2 LEU A 294 3.878 -5.197 2.316 1.00 0.58 C ATOM 0 H LEU A 294 4.325 -8.664 3.400 1.00 0.18 H new ATOM 0 HA LEU A 294 2.888 -7.779 1.019 1.00 0.18 H new ATOM 0 HB2 LEU A 294 5.873 -7.693 1.041 1.00 0.22 H new ATOM 0 HB3 LEU A 294 4.733 -6.690 0.166 1.00 0.22 H new ATOM 0 HG LEU A 294 5.368 -6.484 3.118 1.00 0.30 H new ATOM 0 HD11 LEU A 294 6.426 -4.345 2.469 1.00 0.66 H new ATOM 0 HD12 LEU A 294 7.202 -5.733 1.672 1.00 0.66 H new ATOM 0 HD13 LEU A 294 6.076 -4.700 0.761 1.00 0.66 H new ATOM 0 HD21 LEU A 294 4.052 -4.408 3.048 1.00 0.58 H new ATOM 0 HD22 LEU A 294 3.612 -4.751 1.358 1.00 0.58 H new ATOM 0 HD23 LEU A 294 3.063 -5.835 2.658 1.00 0.58 H new ATOM 1186 N LEU A 295 3.917 -9.378 -0.563 1.00 0.20 N ATOM 1187 CA LEU A 295 4.244 -10.359 -1.527 1.00 0.22 C ATOM 1188 C LEU A 295 5.385 -9.813 -2.376 1.00 0.28 C ATOM 1189 O LEU A 295 5.969 -8.787 -2.029 1.00 0.31 O ATOM 1190 CB LEU A 295 3.021 -10.535 -2.388 1.00 0.23 C ATOM 1191 CG LEU A 295 2.159 -11.755 -2.117 1.00 0.25 C ATOM 1192 CD1 LEU A 295 1.400 -11.553 -0.823 1.00 0.29 C ATOM 1193 CD2 LEU A 295 1.205 -11.991 -3.276 1.00 0.28 C ATOM 0 H LEU A 295 3.442 -8.574 -0.974 1.00 0.20 H new ATOM 0 HA LEU A 295 4.542 -11.305 -1.075 1.00 0.22 H new ATOM 0 HB2 LEU A 295 2.398 -9.648 -2.277 1.00 0.23 H new ATOM 0 HB3 LEU A 295 3.342 -10.571 -3.429 1.00 0.23 H new ATOM 0 HG LEU A 295 2.792 -12.637 -2.020 1.00 0.25 H new ATOM 0 HD11 LEU A 295 0.780 -12.427 -0.625 1.00 0.29 H new ATOM 0 HD12 LEU A 295 2.107 -11.416 -0.004 1.00 0.29 H new ATOM 0 HD13 LEU A 295 0.766 -10.670 -0.907 1.00 0.29 H new ATOM 0 HD21 LEU A 295 0.592 -12.869 -3.070 1.00 0.28 H new ATOM 0 HD22 LEU A 295 0.561 -11.120 -3.401 1.00 0.28 H new ATOM 0 HD23 LEU A 295 1.776 -12.154 -4.190 1.00 0.28 H new ATOM 1205 N ASP A 296 5.673 -10.438 -3.508 1.00 0.39 N ATOM 1206 CA ASP A 296 6.755 -9.952 -4.349 1.00 0.50 C ATOM 1207 C ASP A 296 6.286 -8.753 -5.194 1.00 0.73 C ATOM 1208 O ASP A 296 6.175 -7.663 -4.670 1.00 1.81 O ATOM 1209 CB ASP A 296 7.341 -11.078 -5.209 1.00 0.84 C ATOM 1210 CG ASP A 296 8.822 -10.886 -5.464 1.00 1.76 C ATOM 1211 OD1 ASP A 296 9.192 -9.954 -6.198 1.00 2.42 O ATOM 1212 OD2 ASP A 296 9.632 -11.661 -4.902 1.00 2.44 O ATOM 0 H ASP A 296 5.186 -11.263 -3.859 1.00 0.39 H new ATOM 0 HA ASP A 296 7.562 -9.601 -3.706 1.00 0.50 H new ATOM 0 HB2 ASP A 296 7.180 -12.035 -4.712 1.00 0.84 H new ATOM 0 HB3 ASP A 296 6.812 -11.120 -6.161 1.00 0.84 H new ATOM 1217 N GLN A 297 5.952 -8.958 -6.463 1.00 0.53 N ATOM 1218 CA GLN A 297 5.573 -7.859 -7.361 1.00 0.41 C ATOM 1219 C GLN A 297 4.714 -8.392 -8.506 1.00 0.64 C ATOM 1220 O GLN A 297 3.485 -8.236 -8.450 1.00 1.25 O ATOM 1221 CB GLN A 297 6.818 -7.156 -7.907 1.00 0.51 C ATOM 1222 CG GLN A 297 7.885 -8.077 -8.476 1.00 0.88 C ATOM 1223 CD GLN A 297 9.164 -7.330 -8.801 1.00 0.87 C ATOM 1224 OE1 GLN A 297 9.462 -6.303 -8.019 1.00 1.02 O flip ATOM 1225 NE2 GLN A 297 9.883 -7.680 -9.737 1.00 1.02 N flip ATOM 1226 OXT GLN A 297 5.271 -9.006 -9.442 1.00 1.41 O ATOM 0 H GLN A 297 5.934 -9.879 -6.901 1.00 0.53 H new ATOM 0 HA GLN A 297 4.992 -7.131 -6.796 1.00 0.41 H new ATOM 0 HB2 GLN A 297 6.510 -6.459 -8.686 1.00 0.51 H new ATOM 0 HB3 GLN A 297 7.261 -6.564 -7.107 1.00 0.51 H new ATOM 0 HG2 GLN A 297 8.100 -8.870 -7.759 1.00 0.88 H new ATOM 0 HG3 GLN A 297 7.506 -8.557 -9.378 1.00 0.88 H new ATOM 0 HE21 GLN A 297 9.616 -8.477 -10.315 1.00 1.02 H new ATOM 0 HE22 GLN A 297 10.746 -7.173 -9.935 1.00 1.02 H new