USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 640 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 445 THR OG1 : rot -16:sc= 0.756 USER MOD Set 1.2: A 508 THR OG1 : rot 76:sc= -0.631 USER MOD Set 2.1: A 477 ASN : amide:sc= -3.43 K(o=-2.3,f=-11!) USER MOD Set 2.2: A 503 SER OG : rot -10:sc= 1.1 USER MOD Set 3.1: A 447 MET CE :methyl -158:sc= -0.831 (180deg=-2.29) USER MOD Set 3.2: A 470 CYS SG : rot 140:sc= -1.84! USER MOD Single : A 444 SER OG : rot -131:sc= 0.204 USER MOD Single : A 451 ASN : amide:sc= 0.909 K(o=0.91,f=-0.061) USER MOD Single : A 452 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 456 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 467 THR OG1 : rot 69:sc= 0.905 USER MOD Single : A 472 LYS NZ :NH3+ -121:sc= -0.0918 (180deg=-0.527) USER MOD Single : A 482 TYR OH : rot 180:sc= 0 USER MOD Single : A 483 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 485 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 497 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.0918) USER MOD Single : A 506 SER OG : rot 180:sc= 0 USER MOD Single : A 509 HIS : no HD1:sc= -0.156 X(o=-0.16,f=0.036) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 513 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 516 ASN : amide:sc= -0.882 X(o=-0.88,f=-1.3!) USER MOD Single : A 524 LYS NZ :NH3+ 166:sc= -0.0732 (180deg=-0.654) USER MOD Single : A 530 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 204 N SER A 444 0.929 13.347 10.365 1.00 0.00 N ATOM 205 CA SER A 444 1.368 12.232 9.534 1.00 0.00 C ATOM 206 C SER A 444 0.172 11.492 8.942 1.00 0.00 C ATOM 207 O SER A 444 -0.693 11.002 9.669 1.00 0.00 O ATOM 208 CB SER A 444 2.226 11.265 10.352 1.00 0.00 C ATOM 209 OG SER A 444 3.589 11.655 10.338 1.00 0.00 O ATOM 0 HA SER A 444 1.966 12.634 8.716 1.00 0.00 H new ATOM 0 HB2 SER A 444 1.864 11.233 11.380 1.00 0.00 H new ATOM 0 HB3 SER A 444 2.129 10.257 9.948 1.00 0.00 H new ATOM 0 HG SER A 444 4.149 10.880 10.122 1.00 0.00 H new ATOM 215 N THR A 445 0.130 11.414 7.615 1.00 0.00 N ATOM 216 CA THR A 445 -0.958 10.735 6.924 1.00 0.00 C ATOM 217 C THR A 445 -0.479 9.438 6.284 1.00 0.00 C ATOM 218 O THR A 445 -1.153 8.873 5.422 1.00 0.00 O ATOM 219 CB THR A 445 -1.578 11.633 5.836 1.00 0.00 C ATOM 220 OG1 THR A 445 -2.714 10.983 5.253 1.00 0.00 O ATOM 221 CG2 THR A 445 -0.560 11.952 4.753 1.00 0.00 C ATOM 0 H THR A 445 0.837 11.813 6.998 1.00 0.00 H new ATOM 0 HA THR A 445 -1.716 10.508 7.674 1.00 0.00 H new ATOM 0 HB THR A 445 -1.893 12.566 6.303 1.00 0.00 H new ATOM 0 HG1 THR A 445 -2.700 10.031 5.484 1.00 0.00 H new ATOM 0 HG21 THR A 445 -1.021 12.587 3.996 1.00 0.00 H new ATOM 0 HG22 THR A 445 0.290 12.472 5.195 1.00 0.00 H new ATOM 0 HG23 THR A 445 -0.218 11.026 4.291 1.00 0.00 H new ATOM 229 N VAL A 446 0.689 8.969 6.711 1.00 0.00 N ATOM 230 CA VAL A 446 1.258 7.735 6.180 1.00 0.00 C ATOM 231 C VAL A 446 1.417 6.688 7.276 1.00 0.00 C ATOM 232 O VAL A 446 2.037 6.943 8.307 1.00 0.00 O ATOM 233 CB VAL A 446 2.628 7.987 5.523 1.00 0.00 C ATOM 234 CG1 VAL A 446 3.194 6.693 4.956 1.00 0.00 C ATOM 235 CG2 VAL A 446 2.512 9.047 4.438 1.00 0.00 C ATOM 0 H VAL A 446 1.260 9.424 7.423 1.00 0.00 H new ATOM 0 HA VAL A 446 0.564 7.364 5.426 1.00 0.00 H new ATOM 0 HB VAL A 446 3.315 8.354 6.286 1.00 0.00 H new ATOM 0 HG11 VAL A 446 4.162 6.890 4.496 1.00 0.00 H new ATOM 0 HG12 VAL A 446 3.315 5.966 5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 446 2.510 6.295 4.206 1.00 0.00 H new ATOM 0 HG21 VAL A 446 3.489 9.212 3.985 1.00 0.00 H new ATOM 0 HG22 VAL A 446 1.810 8.711 3.675 1.00 0.00 H new ATOM 0 HG23 VAL A 446 2.153 9.978 4.876 1.00 0.00 H new ATOM 245 N MET A 447 0.852 5.507 7.044 1.00 0.00 N ATOM 246 CA MET A 447 0.933 4.419 8.012 1.00 0.00 C ATOM 247 C MET A 447 1.644 3.210 7.412 1.00 0.00 C ATOM 248 O MET A 447 1.342 2.790 6.295 1.00 0.00 O ATOM 249 CB MET A 447 -0.468 4.020 8.481 1.00 0.00 C ATOM 250 CG MET A 447 -0.525 2.643 9.121 1.00 0.00 C ATOM 251 SD MET A 447 -0.853 1.334 7.925 1.00 0.00 S ATOM 252 CE MET A 447 -2.552 1.693 7.487 1.00 0.00 C ATOM 0 H MET A 447 0.334 5.279 6.195 1.00 0.00 H new ATOM 0 HA MET A 447 1.509 4.770 8.868 1.00 0.00 H new ATOM 0 HB2 MET A 447 -0.827 4.760 9.197 1.00 0.00 H new ATOM 0 HB3 MET A 447 -1.148 4.044 7.629 1.00 0.00 H new ATOM 0 HG2 MET A 447 0.420 2.441 9.624 1.00 0.00 H new ATOM 0 HG3 MET A 447 -1.302 2.634 9.886 1.00 0.00 H new ATOM 0 HE1 MET A 447 -3.021 0.796 7.084 1.00 0.00 H new ATOM 0 HE2 MET A 447 -3.095 2.019 8.374 1.00 0.00 H new ATOM 0 HE3 MET A 447 -2.575 2.483 6.736 1.00 0.00 H new ATOM 262 N VAL A 448 2.591 2.654 8.162 1.00 0.00 N ATOM 263 CA VAL A 448 3.344 1.493 7.704 1.00 0.00 C ATOM 264 C VAL A 448 2.925 0.234 8.456 1.00 0.00 C ATOM 265 O VAL A 448 2.733 0.259 9.673 1.00 0.00 O ATOM 266 CB VAL A 448 4.860 1.702 7.882 1.00 0.00 C ATOM 267 CG1 VAL A 448 5.228 1.715 9.357 1.00 0.00 C ATOM 268 CG2 VAL A 448 5.637 0.625 7.139 1.00 0.00 C ATOM 0 H VAL A 448 2.854 2.989 9.089 1.00 0.00 H new ATOM 0 HA VAL A 448 3.123 1.370 6.644 1.00 0.00 H new ATOM 0 HB VAL A 448 5.128 2.669 7.457 1.00 0.00 H new ATOM 0 HG11 VAL A 448 6.303 1.864 9.463 1.00 0.00 H new ATOM 0 HG12 VAL A 448 4.699 2.526 9.857 1.00 0.00 H new ATOM 0 HG13 VAL A 448 4.947 0.765 9.811 1.00 0.00 H new ATOM 0 HG21 VAL A 448 6.706 0.788 7.276 1.00 0.00 H new ATOM 0 HG22 VAL A 448 5.366 -0.355 7.532 1.00 0.00 H new ATOM 0 HG23 VAL A 448 5.396 0.670 6.077 1.00 0.00 H new ATOM 278 N LEU A 449 2.785 -0.866 7.725 1.00 0.00 N ATOM 279 CA LEU A 449 2.388 -2.136 8.322 1.00 0.00 C ATOM 280 C LEU A 449 3.532 -3.144 8.267 1.00 0.00 C ATOM 281 O LEU A 449 4.138 -3.353 7.216 1.00 0.00 O ATOM 282 CB LEU A 449 1.162 -2.700 7.603 1.00 0.00 C ATOM 283 CG LEU A 449 -0.121 -1.874 7.715 1.00 0.00 C ATOM 284 CD1 LEU A 449 -1.322 -2.689 7.261 1.00 0.00 C ATOM 285 CD2 LEU A 449 -0.315 -1.384 9.142 1.00 0.00 C ATOM 0 H LEU A 449 2.941 -0.904 6.718 1.00 0.00 H new ATOM 0 HA LEU A 449 2.137 -1.955 9.367 1.00 0.00 H new ATOM 0 HB2 LEU A 449 1.406 -2.814 6.547 1.00 0.00 H new ATOM 0 HB3 LEU A 449 0.963 -3.698 7.994 1.00 0.00 H new ATOM 0 HG LEU A 449 -0.030 -1.006 7.062 1.00 0.00 H new ATOM 0 HD11 LEU A 449 -2.225 -2.085 7.348 1.00 0.00 H new ATOM 0 HD12 LEU A 449 -1.185 -2.991 6.222 1.00 0.00 H new ATOM 0 HD13 LEU A 449 -1.417 -3.576 7.887 1.00 0.00 H new ATOM 0 HD21 LEU A 449 -1.232 -0.798 9.204 1.00 0.00 H new ATOM 0 HD22 LEU A 449 -0.385 -2.239 9.814 1.00 0.00 H new ATOM 0 HD23 LEU A 449 0.533 -0.763 9.432 1.00 0.00 H new ATOM 297 N ARG A 450 3.819 -3.768 9.405 1.00 0.00 N ATOM 298 CA ARG A 450 4.889 -4.755 9.486 1.00 0.00 C ATOM 299 C ARG A 450 4.366 -6.079 10.035 1.00 0.00 C ATOM 300 O ARG A 450 3.497 -6.102 10.905 1.00 0.00 O ATOM 301 CB ARG A 450 6.024 -4.236 10.371 1.00 0.00 C ATOM 302 CG ARG A 450 6.347 -2.768 10.149 1.00 0.00 C ATOM 303 CD ARG A 450 6.971 -2.142 11.386 1.00 0.00 C ATOM 304 NE ARG A 450 8.423 -2.299 11.405 1.00 0.00 N ATOM 305 CZ ARG A 450 9.241 -1.673 10.567 1.00 0.00 C ATOM 306 NH1 ARG A 450 8.752 -0.851 9.648 1.00 0.00 N ATOM 307 NH2 ARG A 450 10.551 -1.867 10.646 1.00 0.00 N ATOM 0 H ARG A 450 3.326 -3.608 10.283 1.00 0.00 H new ATOM 0 HA ARG A 450 5.271 -4.924 8.479 1.00 0.00 H new ATOM 0 HB2 ARG A 450 5.756 -4.386 11.417 1.00 0.00 H new ATOM 0 HB3 ARG A 450 6.919 -4.829 10.184 1.00 0.00 H new ATOM 0 HG2 ARG A 450 7.030 -2.668 9.305 1.00 0.00 H new ATOM 0 HG3 ARG A 450 5.436 -2.229 9.887 1.00 0.00 H new ATOM 0 HD2 ARG A 450 6.720 -1.082 11.422 1.00 0.00 H new ATOM 0 HD3 ARG A 450 6.545 -2.600 12.279 1.00 0.00 H new ATOM 0 HE ARG A 450 8.831 -2.924 12.100 1.00 0.00 H new ATOM 0 HH11 ARG A 450 7.746 -0.699 9.584 1.00 0.00 H new ATOM 0 HH12 ARG A 450 9.382 -0.371 9.005 1.00 0.00 H new ATOM 0 HH21 ARG A 450 10.931 -2.498 11.351 1.00 0.00 H new ATOM 0 HH22 ARG A 450 11.178 -1.385 10.001 1.00 0.00 H new ATOM 321 N ASN A 451 4.903 -7.181 9.520 1.00 0.00 N ATOM 322 CA ASN A 451 4.490 -8.509 9.957 1.00 0.00 C ATOM 323 C ASN A 451 3.088 -8.836 9.453 1.00 0.00 C ATOM 324 O ASN A 451 2.301 -9.478 10.149 1.00 0.00 O ATOM 325 CB ASN A 451 4.530 -8.601 11.484 1.00 0.00 C ATOM 326 CG ASN A 451 4.830 -10.006 11.971 1.00 0.00 C ATOM 327 OD1 ASN A 451 5.881 -10.570 11.664 1.00 0.00 O ATOM 328 ND2 ASN A 451 3.906 -10.578 12.733 1.00 0.00 N ATOM 0 H ASN A 451 5.625 -7.180 8.800 1.00 0.00 H new ATOM 0 HA ASN A 451 5.186 -9.235 9.537 1.00 0.00 H new ATOM 0 HB2 ASN A 451 5.288 -7.917 11.867 1.00 0.00 H new ATOM 0 HB3 ASN A 451 3.572 -8.275 11.890 1.00 0.00 H new ATOM 0 HD21 ASN A 451 4.052 -11.522 13.089 1.00 0.00 H new ATOM 0 HD22 ASN A 451 3.050 -10.073 12.962 1.00 0.00 H new ATOM 335 N MET A 452 2.782 -8.391 8.239 1.00 0.00 N ATOM 336 CA MET A 452 1.475 -8.638 7.641 1.00 0.00 C ATOM 337 C MET A 452 1.473 -9.949 6.861 1.00 0.00 C ATOM 338 O MET A 452 0.787 -10.902 7.231 1.00 0.00 O ATOM 339 CB MET A 452 1.086 -7.481 6.719 1.00 0.00 C ATOM 340 CG MET A 452 -0.400 -7.433 6.399 1.00 0.00 C ATOM 341 SD MET A 452 -0.851 -5.992 5.413 1.00 0.00 S ATOM 342 CE MET A 452 -2.631 -5.991 5.611 1.00 0.00 C ATOM 0 H MET A 452 3.421 -7.857 7.650 1.00 0.00 H new ATOM 0 HA MET A 452 0.743 -8.714 8.445 1.00 0.00 H new ATOM 0 HB2 MET A 452 1.380 -6.541 7.186 1.00 0.00 H new ATOM 0 HB3 MET A 452 1.647 -7.564 5.788 1.00 0.00 H new ATOM 0 HG2 MET A 452 -0.682 -8.339 5.862 1.00 0.00 H new ATOM 0 HG3 MET A 452 -0.968 -7.424 7.329 1.00 0.00 H new ATOM 0 HE1 MET A 452 -3.058 -5.155 5.057 1.00 0.00 H new ATOM 0 HE2 MET A 452 -3.040 -6.926 5.229 1.00 0.00 H new ATOM 0 HE3 MET A 452 -2.879 -5.891 6.668 1.00 0.00 H new ATOM 352 N VAL A 453 2.245 -9.990 5.780 1.00 0.00 N ATOM 353 CA VAL A 453 2.333 -11.185 4.949 1.00 0.00 C ATOM 354 C VAL A 453 3.744 -11.371 4.401 1.00 0.00 C ATOM 355 O VAL A 453 4.343 -10.436 3.870 1.00 0.00 O ATOM 356 CB VAL A 453 1.342 -11.123 3.771 1.00 0.00 C ATOM 357 CG1 VAL A 453 -0.071 -11.426 4.247 1.00 0.00 C ATOM 358 CG2 VAL A 453 1.404 -9.763 3.093 1.00 0.00 C ATOM 0 H VAL A 453 2.818 -9.210 5.459 1.00 0.00 H new ATOM 0 HA VAL A 453 2.078 -12.032 5.585 1.00 0.00 H new ATOM 0 HB VAL A 453 1.625 -11.881 3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -0.758 -11.378 3.402 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -0.102 -12.424 4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -0.367 -10.693 4.997 1.00 0.00 H new ATOM 0 HG21 VAL A 453 0.697 -9.737 2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 453 1.147 -8.986 3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 453 2.412 -9.590 2.716 1.00 0.00 H new ATOM 368 N ASP A 454 4.268 -12.584 4.535 1.00 0.00 N ATOM 369 CA ASP A 454 5.609 -12.895 4.052 1.00 0.00 C ATOM 370 C ASP A 454 5.778 -12.459 2.600 1.00 0.00 C ATOM 371 O ASP A 454 4.809 -12.289 1.860 1.00 0.00 O ATOM 372 CB ASP A 454 5.887 -14.393 4.184 1.00 0.00 C ATOM 373 CG ASP A 454 6.377 -14.771 5.567 1.00 0.00 C ATOM 374 OD1 ASP A 454 7.587 -14.611 5.832 1.00 0.00 O ATOM 375 OD2 ASP A 454 5.551 -15.228 6.385 1.00 0.00 O ATOM 0 H ASP A 454 3.785 -13.368 4.974 1.00 0.00 H new ATOM 0 HA ASP A 454 6.325 -12.346 4.663 1.00 0.00 H new ATOM 0 HB2 ASP A 454 4.977 -14.950 3.959 1.00 0.00 H new ATOM 0 HB3 ASP A 454 6.632 -14.688 3.445 1.00 0.00 H new ATOM 380 N PRO A 455 7.039 -12.272 2.181 1.00 0.00 N ATOM 381 CA PRO A 455 7.365 -11.853 0.814 1.00 0.00 C ATOM 382 C PRO A 455 7.082 -12.946 -0.210 1.00 0.00 C ATOM 383 O PRO A 455 7.284 -12.755 -1.410 1.00 0.00 O ATOM 384 CB PRO A 455 8.865 -11.558 0.882 1.00 0.00 C ATOM 385 CG PRO A 455 9.365 -12.394 2.009 1.00 0.00 C ATOM 386 CD PRO A 455 8.242 -12.456 3.008 1.00 0.00 C ATOM 0 HA PRO A 455 6.764 -11.002 0.494 1.00 0.00 H new ATOM 0 HB2 PRO A 455 9.362 -11.816 -0.053 1.00 0.00 H new ATOM 0 HB3 PRO A 455 9.053 -10.499 1.061 1.00 0.00 H new ATOM 0 HG2 PRO A 455 9.636 -13.392 1.664 1.00 0.00 H new ATOM 0 HG3 PRO A 455 10.259 -11.956 2.453 1.00 0.00 H new ATOM 0 HD2 PRO A 455 8.225 -13.410 3.535 1.00 0.00 H new ATOM 0 HD3 PRO A 455 8.333 -11.676 3.764 1.00 0.00 H new ATOM 394 N LYS A 456 6.614 -14.093 0.269 1.00 0.00 N ATOM 395 CA LYS A 456 6.301 -15.218 -0.604 1.00 0.00 C ATOM 396 C LYS A 456 4.867 -15.129 -1.115 1.00 0.00 C ATOM 397 O LYS A 456 4.529 -15.703 -2.150 1.00 0.00 O ATOM 398 CB LYS A 456 6.508 -16.540 0.138 1.00 0.00 C ATOM 399 CG LYS A 456 7.888 -16.681 0.757 1.00 0.00 C ATOM 400 CD LYS A 456 8.916 -17.129 -0.268 1.00 0.00 C ATOM 401 CE LYS A 456 10.086 -17.844 0.391 1.00 0.00 C ATOM 402 NZ LYS A 456 11.196 -18.094 -0.569 1.00 0.00 N ATOM 0 H LYS A 456 6.443 -14.268 1.259 1.00 0.00 H new ATOM 0 HA LYS A 456 6.976 -15.179 -1.459 1.00 0.00 H new ATOM 0 HB2 LYS A 456 5.756 -16.628 0.923 1.00 0.00 H new ATOM 0 HB3 LYS A 456 6.344 -17.365 -0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 456 8.194 -15.727 1.187 1.00 0.00 H new ATOM 0 HG3 LYS A 456 7.849 -17.402 1.574 1.00 0.00 H new ATOM 0 HD2 LYS A 456 8.444 -17.793 -0.992 1.00 0.00 H new ATOM 0 HD3 LYS A 456 9.282 -16.263 -0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 456 10.455 -17.245 1.224 1.00 0.00 H new ATOM 0 HE3 LYS A 456 9.745 -18.792 0.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 11.974 -18.583 -0.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 10.852 -18.686 -1.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 11.539 -17.188 -0.946 1.00 0.00 H new ATOM 416 N ASP A 457 4.027 -14.404 -0.383 1.00 0.00 N ATOM 417 CA ASP A 457 2.629 -14.237 -0.763 1.00 0.00 C ATOM 418 C ASP A 457 2.453 -13.017 -1.661 1.00 0.00 C ATOM 419 O ASP A 457 1.332 -12.658 -2.023 1.00 0.00 O ATOM 420 CB ASP A 457 1.753 -14.101 0.482 1.00 0.00 C ATOM 421 CG ASP A 457 0.322 -14.534 0.233 1.00 0.00 C ATOM 422 OD1 ASP A 457 0.035 -15.742 0.373 1.00 0.00 O ATOM 423 OD2 ASP A 457 -0.512 -13.667 -0.102 1.00 0.00 O ATOM 0 H ASP A 457 4.290 -13.923 0.477 1.00 0.00 H new ATOM 0 HA ASP A 457 2.320 -15.122 -1.319 1.00 0.00 H new ATOM 0 HB2 ASP A 457 2.176 -14.701 1.288 1.00 0.00 H new ATOM 0 HB3 ASP A 457 1.763 -13.064 0.818 1.00 0.00 H new ATOM 428 N ILE A 458 3.565 -12.383 -2.016 1.00 0.00 N ATOM 429 CA ILE A 458 3.533 -11.203 -2.872 1.00 0.00 C ATOM 430 C ILE A 458 2.872 -11.513 -4.210 1.00 0.00 C ATOM 431 O ILE A 458 3.447 -12.202 -5.054 1.00 0.00 O ATOM 432 CB ILE A 458 4.948 -10.653 -3.126 1.00 0.00 C ATOM 433 CG1 ILE A 458 5.643 -10.340 -1.799 1.00 0.00 C ATOM 434 CG2 ILE A 458 4.884 -9.411 -4.002 1.00 0.00 C ATOM 435 CD1 ILE A 458 5.034 -9.170 -1.059 1.00 0.00 C ATOM 0 H ILE A 458 4.500 -12.667 -1.724 1.00 0.00 H new ATOM 0 HA ILE A 458 2.948 -10.448 -2.347 1.00 0.00 H new ATOM 0 HB ILE A 458 5.529 -11.413 -3.649 1.00 0.00 H new ATOM 0 HG12 ILE A 458 5.604 -11.223 -1.161 1.00 0.00 H new ATOM 0 HG13 ILE A 458 6.696 -10.131 -1.990 1.00 0.00 H new ATOM 0 HG21 ILE A 458 5.892 -9.034 -4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 458 4.424 -9.663 -4.958 1.00 0.00 H new ATOM 0 HG23 ILE A 458 4.289 -8.645 -3.504 1.00 0.00 H new ATOM 0 HD11 ILE A 458 5.577 -9.006 -0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 458 5.097 -8.275 -1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 458 3.989 -9.385 -0.836 1.00 0.00 H new ATOM 447 N ASP A 459 1.662 -10.999 -4.399 1.00 0.00 N ATOM 448 CA ASP A 459 0.923 -11.218 -5.638 1.00 0.00 C ATOM 449 C ASP A 459 0.253 -9.930 -6.105 1.00 0.00 C ATOM 450 O ASP A 459 0.163 -8.957 -5.356 1.00 0.00 O ATOM 451 CB ASP A 459 -0.128 -12.312 -5.443 1.00 0.00 C ATOM 452 CG ASP A 459 0.491 -13.686 -5.274 1.00 0.00 C ATOM 453 OD1 ASP A 459 0.893 -14.285 -6.294 1.00 0.00 O ATOM 454 OD2 ASP A 459 0.575 -14.162 -4.123 1.00 0.00 O ATOM 0 H ASP A 459 1.172 -10.428 -3.711 1.00 0.00 H new ATOM 0 HA ASP A 459 1.631 -11.537 -6.403 1.00 0.00 H new ATOM 0 HB2 ASP A 459 -0.733 -12.079 -4.567 1.00 0.00 H new ATOM 0 HB3 ASP A 459 -0.801 -12.323 -6.301 1.00 0.00 H new ATOM 459 N ASP A 460 -0.216 -9.931 -7.349 1.00 0.00 N ATOM 460 CA ASP A 460 -0.877 -8.762 -7.917 1.00 0.00 C ATOM 461 C ASP A 460 -2.255 -8.562 -7.294 1.00 0.00 C ATOM 462 O ASP A 460 -2.886 -7.520 -7.479 1.00 0.00 O ATOM 463 CB ASP A 460 -1.006 -8.910 -9.434 1.00 0.00 C ATOM 464 CG ASP A 460 0.340 -9.017 -10.122 1.00 0.00 C ATOM 465 OD1 ASP A 460 1.290 -9.526 -9.491 1.00 0.00 O ATOM 466 OD2 ASP A 460 0.445 -8.590 -11.291 1.00 0.00 O ATOM 0 H ASP A 460 -0.150 -10.728 -7.982 1.00 0.00 H new ATOM 0 HA ASP A 460 -0.267 -7.886 -7.696 1.00 0.00 H new ATOM 0 HB2 ASP A 460 -1.598 -9.797 -9.660 1.00 0.00 H new ATOM 0 HB3 ASP A 460 -1.548 -8.054 -9.835 1.00 0.00 H new ATOM 471 N ASP A 461 -2.717 -9.565 -6.556 1.00 0.00 N ATOM 472 CA ASP A 461 -4.021 -9.499 -5.906 1.00 0.00 C ATOM 473 C ASP A 461 -3.910 -8.846 -4.532 1.00 0.00 C ATOM 474 O ASP A 461 -4.808 -8.119 -4.104 1.00 0.00 O ATOM 475 CB ASP A 461 -4.619 -10.900 -5.772 1.00 0.00 C ATOM 476 CG ASP A 461 -4.862 -11.558 -7.116 1.00 0.00 C ATOM 477 OD1 ASP A 461 -5.679 -11.027 -7.898 1.00 0.00 O ATOM 478 OD2 ASP A 461 -4.234 -12.602 -7.387 1.00 0.00 O ATOM 0 H ASP A 461 -2.208 -10.434 -6.393 1.00 0.00 H new ATOM 0 HA ASP A 461 -4.679 -8.890 -6.526 1.00 0.00 H new ATOM 0 HB2 ASP A 461 -3.947 -11.523 -5.182 1.00 0.00 H new ATOM 0 HB3 ASP A 461 -5.560 -10.839 -5.225 1.00 0.00 H new ATOM 483 N LEU A 462 -2.804 -9.110 -3.844 1.00 0.00 N ATOM 484 CA LEU A 462 -2.576 -8.549 -2.517 1.00 0.00 C ATOM 485 C LEU A 462 -2.801 -7.041 -2.518 1.00 0.00 C ATOM 486 O LEU A 462 -3.705 -6.538 -1.851 1.00 0.00 O ATOM 487 CB LEU A 462 -1.155 -8.864 -2.046 1.00 0.00 C ATOM 488 CG LEU A 462 -0.876 -8.641 -0.560 1.00 0.00 C ATOM 489 CD1 LEU A 462 -1.872 -9.412 0.292 1.00 0.00 C ATOM 490 CD2 LEU A 462 0.549 -9.050 -0.217 1.00 0.00 C ATOM 0 H LEU A 462 -2.051 -9.709 -4.183 1.00 0.00 H new ATOM 0 HA LEU A 462 -3.289 -9.004 -1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 462 -0.937 -9.905 -2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 462 -0.459 -8.253 -2.621 1.00 0.00 H new ATOM 0 HG LEU A 462 -0.990 -7.579 -0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 462 -1.658 -9.241 1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 462 -2.883 -9.072 0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 462 -1.790 -10.477 0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 462 0.729 -8.884 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 462 0.690 -10.106 -0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 462 1.249 -8.453 -0.801 1.00 0.00 H new ATOM 502 N GLU A 463 -1.974 -6.324 -3.273 1.00 0.00 N ATOM 503 CA GLU A 463 -2.084 -4.873 -3.361 1.00 0.00 C ATOM 504 C GLU A 463 -3.543 -4.433 -3.283 1.00 0.00 C ATOM 505 O GLU A 463 -3.923 -3.659 -2.405 1.00 0.00 O ATOM 506 CB GLU A 463 -1.458 -4.370 -4.663 1.00 0.00 C ATOM 507 CG GLU A 463 -1.229 -2.868 -4.688 1.00 0.00 C ATOM 508 CD GLU A 463 -1.297 -2.290 -6.089 1.00 0.00 C ATOM 509 OE1 GLU A 463 -2.280 -2.579 -6.803 1.00 0.00 O ATOM 510 OE2 GLU A 463 -0.367 -1.550 -6.470 1.00 0.00 O ATOM 0 H GLU A 463 -1.221 -6.725 -3.832 1.00 0.00 H new ATOM 0 HA GLU A 463 -1.546 -4.441 -2.517 1.00 0.00 H new ATOM 0 HB2 GLU A 463 -0.505 -4.877 -4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 463 -2.104 -4.644 -5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 463 -1.975 -2.380 -4.061 1.00 0.00 H new ATOM 0 HG3 GLU A 463 -0.254 -2.646 -4.254 1.00 0.00 H new ATOM 517 N GLY A 464 -4.357 -4.932 -4.208 1.00 0.00 N ATOM 518 CA GLY A 464 -5.765 -4.579 -4.227 1.00 0.00 C ATOM 519 C GLY A 464 -6.441 -4.820 -2.892 1.00 0.00 C ATOM 520 O GLY A 464 -7.201 -3.980 -2.414 1.00 0.00 O ATOM 0 H GLY A 464 -4.067 -5.575 -4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 464 -5.869 -3.529 -4.499 1.00 0.00 H new ATOM 0 HA3 GLY A 464 -6.272 -5.160 -4.998 1.00 0.00 H new ATOM 524 N GLU A 465 -6.164 -5.973 -2.290 1.00 0.00 N ATOM 525 CA GLU A 465 -6.754 -6.322 -1.003 1.00 0.00 C ATOM 526 C GLU A 465 -6.501 -5.225 0.028 1.00 0.00 C ATOM 527 O GLU A 465 -7.438 -4.632 0.562 1.00 0.00 O ATOM 528 CB GLU A 465 -6.185 -7.651 -0.500 1.00 0.00 C ATOM 529 CG GLU A 465 -6.516 -8.833 -1.396 1.00 0.00 C ATOM 530 CD GLU A 465 -6.567 -10.144 -0.636 1.00 0.00 C ATOM 531 OE1 GLU A 465 -7.039 -10.141 0.520 1.00 0.00 O ATOM 532 OE2 GLU A 465 -6.135 -11.173 -1.197 1.00 0.00 O ATOM 0 H GLU A 465 -5.536 -6.680 -2.672 1.00 0.00 H new ATOM 0 HA GLU A 465 -7.830 -6.424 -1.142 1.00 0.00 H new ATOM 0 HB2 GLU A 465 -5.102 -7.563 -0.414 1.00 0.00 H new ATOM 0 HB3 GLU A 465 -6.570 -7.846 0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 465 -7.477 -8.660 -1.879 1.00 0.00 H new ATOM 0 HG3 GLU A 465 -5.770 -8.905 -2.187 1.00 0.00 H new ATOM 539 N VAL A 466 -5.227 -4.962 0.302 1.00 0.00 N ATOM 540 CA VAL A 466 -4.850 -3.937 1.268 1.00 0.00 C ATOM 541 C VAL A 466 -5.540 -2.612 0.961 1.00 0.00 C ATOM 542 O VAL A 466 -5.868 -1.845 1.867 1.00 0.00 O ATOM 543 CB VAL A 466 -3.325 -3.717 1.285 1.00 0.00 C ATOM 544 CG1 VAL A 466 -2.949 -2.670 2.322 1.00 0.00 C ATOM 545 CG2 VAL A 466 -2.602 -5.028 1.553 1.00 0.00 C ATOM 0 H VAL A 466 -4.439 -5.444 -0.131 1.00 0.00 H new ATOM 0 HA VAL A 466 -5.170 -4.292 2.248 1.00 0.00 H new ATOM 0 HB VAL A 466 -3.016 -3.351 0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -1.868 -2.528 2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -3.440 -1.727 2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -3.269 -3.004 3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -1.526 -4.855 1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -2.914 -5.424 2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -2.848 -5.746 0.770 1.00 0.00 H new ATOM 555 N THR A 467 -5.758 -2.349 -0.324 1.00 0.00 N ATOM 556 CA THR A 467 -6.409 -1.116 -0.751 1.00 0.00 C ATOM 557 C THR A 467 -7.868 -1.084 -0.312 1.00 0.00 C ATOM 558 O THR A 467 -8.318 -0.121 0.308 1.00 0.00 O ATOM 559 CB THR A 467 -6.341 -0.947 -2.281 1.00 0.00 C ATOM 560 OG1 THR A 467 -4.981 -1.022 -2.722 1.00 0.00 O ATOM 561 CG2 THR A 467 -6.944 0.384 -2.704 1.00 0.00 C ATOM 0 H THR A 467 -5.494 -2.973 -1.087 1.00 0.00 H new ATOM 0 HA THR A 467 -5.872 -0.294 -0.277 1.00 0.00 H new ATOM 0 HB THR A 467 -6.916 -1.751 -2.740 1.00 0.00 H new ATOM 0 HG1 THR A 467 -4.647 -1.935 -2.599 1.00 0.00 H new ATOM 0 HG21 THR A 467 -6.885 0.482 -3.788 1.00 0.00 H new ATOM 0 HG22 THR A 467 -7.987 0.426 -2.392 1.00 0.00 H new ATOM 0 HG23 THR A 467 -6.392 1.199 -2.236 1.00 0.00 H new ATOM 569 N GLU A 468 -8.603 -2.143 -0.637 1.00 0.00 N ATOM 570 CA GLU A 468 -10.013 -2.235 -0.275 1.00 0.00 C ATOM 571 C GLU A 468 -10.177 -2.429 1.229 1.00 0.00 C ATOM 572 O GLU A 468 -11.258 -2.219 1.778 1.00 0.00 O ATOM 573 CB GLU A 468 -10.681 -3.389 -1.025 1.00 0.00 C ATOM 574 CG GLU A 468 -9.990 -4.728 -0.822 1.00 0.00 C ATOM 575 CD GLU A 468 -10.818 -5.894 -1.326 1.00 0.00 C ATOM 576 OE1 GLU A 468 -11.906 -6.137 -0.763 1.00 0.00 O ATOM 577 OE2 GLU A 468 -10.377 -6.564 -2.283 1.00 0.00 O ATOM 0 H GLU A 468 -8.246 -2.949 -1.150 1.00 0.00 H new ATOM 0 HA GLU A 468 -10.496 -1.300 -0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 468 -11.718 -3.472 -0.699 1.00 0.00 H new ATOM 0 HB3 GLU A 468 -10.699 -3.157 -2.090 1.00 0.00 H new ATOM 0 HG2 GLU A 468 -9.030 -4.719 -1.338 1.00 0.00 H new ATOM 0 HG3 GLU A 468 -9.781 -4.867 0.239 1.00 0.00 H new ATOM 584 N GLU A 469 -9.095 -2.830 1.890 1.00 0.00 N ATOM 585 CA GLU A 469 -9.120 -3.053 3.331 1.00 0.00 C ATOM 586 C GLU A 469 -8.942 -1.740 4.088 1.00 0.00 C ATOM 587 O GLU A 469 -9.596 -1.504 5.104 1.00 0.00 O ATOM 588 CB GLU A 469 -8.023 -4.040 3.735 1.00 0.00 C ATOM 589 CG GLU A 469 -8.078 -4.446 5.198 1.00 0.00 C ATOM 590 CD GLU A 469 -7.504 -5.828 5.443 1.00 0.00 C ATOM 591 OE1 GLU A 469 -7.904 -6.770 4.728 1.00 0.00 O ATOM 592 OE2 GLU A 469 -6.656 -5.967 6.349 1.00 0.00 O ATOM 0 H GLU A 469 -8.191 -3.007 1.451 1.00 0.00 H new ATOM 0 HA GLU A 469 -10.091 -3.473 3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 469 -8.104 -4.933 3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 469 -7.050 -3.594 3.527 1.00 0.00 H new ATOM 0 HG2 GLU A 469 -7.528 -3.718 5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 469 -9.113 -4.421 5.539 1.00 0.00 H new ATOM 599 N CYS A 470 -8.053 -0.890 3.586 1.00 0.00 N ATOM 600 CA CYS A 470 -7.787 0.399 4.215 1.00 0.00 C ATOM 601 C CYS A 470 -8.936 1.370 3.970 1.00 0.00 C ATOM 602 O CYS A 470 -9.123 2.329 4.718 1.00 0.00 O ATOM 603 CB CYS A 470 -6.481 0.990 3.682 1.00 0.00 C ATOM 604 SG CYS A 470 -4.992 0.276 4.420 1.00 0.00 S ATOM 0 H CYS A 470 -7.504 -1.070 2.745 1.00 0.00 H new ATOM 0 HA CYS A 470 -7.693 0.239 5.289 1.00 0.00 H new ATOM 0 HB2 CYS A 470 -6.443 0.846 2.602 1.00 0.00 H new ATOM 0 HB3 CYS A 470 -6.482 2.065 3.860 1.00 0.00 H new ATOM 0 HG CYS A 470 -4.086 0.117 3.502 1.00 0.00 H new ATOM 610 N GLY A 471 -9.704 1.117 2.914 1.00 0.00 N ATOM 611 CA GLY A 471 -10.825 1.980 2.587 1.00 0.00 C ATOM 612 C GLY A 471 -11.713 2.254 3.785 1.00 0.00 C ATOM 613 O GLY A 471 -12.182 3.377 3.975 1.00 0.00 O ATOM 0 H GLY A 471 -9.570 0.330 2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 471 -10.450 2.924 2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 471 -11.417 1.518 1.797 1.00 0.00 H new ATOM 617 N LYS A 472 -11.946 1.227 4.595 1.00 0.00 N ATOM 618 CA LYS A 472 -12.784 1.362 5.780 1.00 0.00 C ATOM 619 C LYS A 472 -12.410 2.611 6.571 1.00 0.00 C ATOM 620 O LYS A 472 -13.278 3.394 6.961 1.00 0.00 O ATOM 621 CB LYS A 472 -12.649 0.123 6.669 1.00 0.00 C ATOM 622 CG LYS A 472 -13.467 -1.063 6.188 1.00 0.00 C ATOM 623 CD LYS A 472 -12.872 -1.678 4.932 1.00 0.00 C ATOM 624 CE LYS A 472 -13.332 -3.116 4.745 1.00 0.00 C ATOM 625 NZ LYS A 472 -12.823 -4.006 5.825 1.00 0.00 N ATOM 0 H LYS A 472 -11.566 0.291 4.452 1.00 0.00 H new ATOM 0 HA LYS A 472 -13.820 1.457 5.453 1.00 0.00 H new ATOM 0 HB2 LYS A 472 -11.599 -0.166 6.718 1.00 0.00 H new ATOM 0 HB3 LYS A 472 -12.957 0.378 7.683 1.00 0.00 H new ATOM 0 HG2 LYS A 472 -13.516 -1.816 6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 472 -14.490 -0.744 5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 472 -13.161 -1.086 4.063 1.00 0.00 H new ATOM 0 HD3 LYS A 472 -11.784 -1.647 4.991 1.00 0.00 H new ATOM 0 HE2 LYS A 472 -14.421 -3.150 4.730 1.00 0.00 H new ATOM 0 HE3 LYS A 472 -12.988 -3.485 3.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 472 -12.251 -4.767 5.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 472 -12.237 -3.453 6.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 472 -13.626 -4.420 6.341 1.00 0.00 H new ATOM 639 N PHE A 473 -11.115 2.793 6.805 1.00 0.00 N ATOM 640 CA PHE A 473 -10.627 3.948 7.549 1.00 0.00 C ATOM 641 C PHE A 473 -10.983 5.247 6.832 1.00 0.00 C ATOM 642 O PHE A 473 -11.613 6.134 7.406 1.00 0.00 O ATOM 643 CB PHE A 473 -9.112 3.856 7.739 1.00 0.00 C ATOM 644 CG PHE A 473 -8.653 2.524 8.261 1.00 0.00 C ATOM 645 CD1 PHE A 473 -8.985 2.115 9.542 1.00 0.00 C ATOM 646 CD2 PHE A 473 -7.889 1.682 7.469 1.00 0.00 C ATOM 647 CE1 PHE A 473 -8.565 0.890 10.025 1.00 0.00 C ATOM 648 CE2 PHE A 473 -7.466 0.455 7.946 1.00 0.00 C ATOM 649 CZ PHE A 473 -7.804 0.060 9.226 1.00 0.00 C ATOM 0 H PHE A 473 -10.384 2.155 6.490 1.00 0.00 H new ATOM 0 HA PHE A 473 -11.109 3.949 8.526 1.00 0.00 H new ATOM 0 HB2 PHE A 473 -8.622 4.052 6.785 1.00 0.00 H new ATOM 0 HB3 PHE A 473 -8.792 4.637 8.429 1.00 0.00 H new ATOM 0 HD1 PHE A 473 -9.579 2.761 10.171 1.00 0.00 H new ATOM 0 HD2 PHE A 473 -7.621 1.987 6.468 1.00 0.00 H new ATOM 0 HE1 PHE A 473 -8.832 0.583 11.025 1.00 0.00 H new ATOM 0 HE2 PHE A 473 -6.872 -0.194 7.319 1.00 0.00 H new ATOM 0 HZ PHE A 473 -7.473 -0.897 9.601 1.00 0.00 H new ATOM 659 N GLY A 474 -10.573 5.352 5.571 1.00 0.00 N ATOM 660 CA GLY A 474 -10.856 6.546 4.796 1.00 0.00 C ATOM 661 C GLY A 474 -10.494 6.386 3.333 1.00 0.00 C ATOM 662 O GLY A 474 -10.265 5.272 2.861 1.00 0.00 O ATOM 0 H GLY A 474 -10.050 4.632 5.073 1.00 0.00 H new ATOM 0 HA2 GLY A 474 -11.915 6.788 4.881 1.00 0.00 H new ATOM 0 HA3 GLY A 474 -10.303 7.387 5.214 1.00 0.00 H new ATOM 666 N ALA A 475 -10.443 7.501 2.612 1.00 0.00 N ATOM 667 CA ALA A 475 -10.106 7.480 1.194 1.00 0.00 C ATOM 668 C ALA A 475 -8.621 7.198 0.987 1.00 0.00 C ATOM 669 O ALA A 475 -7.773 8.042 1.275 1.00 0.00 O ATOM 670 CB ALA A 475 -10.491 8.799 0.540 1.00 0.00 C ATOM 0 H ALA A 475 -10.631 8.431 2.987 1.00 0.00 H new ATOM 0 HA ALA A 475 -10.671 6.675 0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 475 -10.234 8.769 -0.519 1.00 0.00 H new ATOM 0 HB2 ALA A 475 -11.564 8.959 0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 475 -9.952 9.615 1.021 1.00 0.00 H new ATOM 676 N VAL A 476 -8.314 6.005 0.487 1.00 0.00 N ATOM 677 CA VAL A 476 -6.932 5.612 0.241 1.00 0.00 C ATOM 678 C VAL A 476 -6.313 6.447 -0.874 1.00 0.00 C ATOM 679 O VAL A 476 -6.796 6.445 -2.006 1.00 0.00 O ATOM 680 CB VAL A 476 -6.831 4.121 -0.132 1.00 0.00 C ATOM 681 CG1 VAL A 476 -5.402 3.761 -0.510 1.00 0.00 C ATOM 682 CG2 VAL A 476 -7.323 3.251 1.014 1.00 0.00 C ATOM 0 H VAL A 476 -9.004 5.294 0.244 1.00 0.00 H new ATOM 0 HA VAL A 476 -6.384 5.785 1.167 1.00 0.00 H new ATOM 0 HB VAL A 476 -7.468 3.937 -0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.350 2.704 -0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -5.090 4.361 -1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -4.741 3.960 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -7.245 2.201 0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -6.714 3.436 1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -8.363 3.491 1.233 1.00 0.00 H new ATOM 692 N ASN A 477 -5.241 7.161 -0.547 1.00 0.00 N ATOM 693 CA ASN A 477 -4.555 8.001 -1.521 1.00 0.00 C ATOM 694 C ASN A 477 -3.641 7.166 -2.412 1.00 0.00 C ATOM 695 O ASN A 477 -3.718 7.238 -3.639 1.00 0.00 O ATOM 696 CB ASN A 477 -3.742 9.084 -0.809 1.00 0.00 C ATOM 697 CG ASN A 477 -4.543 10.350 -0.577 1.00 0.00 C ATOM 698 OD1 ASN A 477 -5.763 10.305 -0.412 1.00 0.00 O ATOM 699 ND2 ASN A 477 -3.860 11.489 -0.563 1.00 0.00 N ATOM 0 H ASN A 477 -4.829 7.174 0.386 1.00 0.00 H new ATOM 0 HA ASN A 477 -5.309 8.476 -2.149 1.00 0.00 H new ATOM 0 HB2 ASN A 477 -3.390 8.700 0.148 1.00 0.00 H new ATOM 0 HB3 ASN A 477 -2.858 9.320 -1.402 1.00 0.00 H new ATOM 0 HD21 ASN A 477 -4.346 12.373 -0.411 1.00 0.00 H new ATOM 0 HD22 ASN A 477 -2.850 11.480 -0.704 1.00 0.00 H new ATOM 706 N ARG A 478 -2.776 6.375 -1.786 1.00 0.00 N ATOM 707 CA ARG A 478 -1.846 5.526 -2.522 1.00 0.00 C ATOM 708 C ARG A 478 -1.192 4.506 -1.596 1.00 0.00 C ATOM 709 O ARG A 478 -1.251 4.634 -0.373 1.00 0.00 O ATOM 710 CB ARG A 478 -0.771 6.378 -3.200 1.00 0.00 C ATOM 711 CG ARG A 478 0.102 7.148 -2.222 1.00 0.00 C ATOM 712 CD ARG A 478 1.164 7.961 -2.945 1.00 0.00 C ATOM 713 NE ARG A 478 2.130 7.110 -3.634 1.00 0.00 N ATOM 714 CZ ARG A 478 1.941 6.623 -4.856 1.00 0.00 C ATOM 715 NH1 ARG A 478 0.827 6.902 -5.519 1.00 0.00 N ATOM 716 NH2 ARG A 478 2.866 5.855 -5.416 1.00 0.00 N ATOM 0 H ARG A 478 -2.700 6.304 -0.771 1.00 0.00 H new ATOM 0 HA ARG A 478 -2.410 4.989 -3.285 1.00 0.00 H new ATOM 0 HB2 ARG A 478 -0.138 5.732 -3.809 1.00 0.00 H new ATOM 0 HB3 ARG A 478 -1.252 7.083 -3.878 1.00 0.00 H new ATOM 0 HG2 ARG A 478 -0.520 7.812 -1.622 1.00 0.00 H new ATOM 0 HG3 ARG A 478 0.581 6.452 -1.534 1.00 0.00 H new ATOM 0 HD2 ARG A 478 0.685 8.623 -3.666 1.00 0.00 H new ATOM 0 HD3 ARG A 478 1.686 8.595 -2.228 1.00 0.00 H new ATOM 0 HE ARG A 478 2.997 6.876 -3.151 1.00 0.00 H new ATOM 0 HH11 ARG A 478 0.113 7.492 -5.091 1.00 0.00 H new ATOM 0 HH12 ARG A 478 0.684 6.527 -6.457 1.00 0.00 H new ATOM 0 HH21 ARG A 478 3.724 5.637 -4.909 1.00 0.00 H new ATOM 0 HH22 ARG A 478 2.720 5.482 -6.354 1.00 0.00 H new ATOM 730 N VAL A 479 -0.568 3.491 -2.187 1.00 0.00 N ATOM 731 CA VAL A 479 0.098 2.449 -1.415 1.00 0.00 C ATOM 732 C VAL A 479 1.435 2.071 -2.042 1.00 0.00 C ATOM 733 O VAL A 479 1.566 2.018 -3.265 1.00 0.00 O ATOM 734 CB VAL A 479 -0.779 1.187 -1.302 1.00 0.00 C ATOM 735 CG1 VAL A 479 -0.065 0.111 -0.498 1.00 0.00 C ATOM 736 CG2 VAL A 479 -2.123 1.528 -0.678 1.00 0.00 C ATOM 0 H VAL A 479 -0.510 3.369 -3.198 1.00 0.00 H new ATOM 0 HA VAL A 479 0.269 2.854 -0.418 1.00 0.00 H new ATOM 0 HB VAL A 479 -0.958 0.798 -2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 479 -0.699 -0.773 -0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 479 0.870 -0.152 -0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 479 0.146 0.485 0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 479 -2.730 0.626 -0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 479 -1.967 1.941 0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 479 -2.637 2.262 -1.299 1.00 0.00 H new ATOM 746 N ILE A 480 2.425 1.808 -1.196 1.00 0.00 N ATOM 747 CA ILE A 480 3.753 1.433 -1.667 1.00 0.00 C ATOM 748 C ILE A 480 4.271 0.204 -0.928 1.00 0.00 C ATOM 749 O ILE A 480 4.207 0.132 0.300 1.00 0.00 O ATOM 750 CB ILE A 480 4.759 2.586 -1.492 1.00 0.00 C ATOM 751 CG1 ILE A 480 4.330 3.796 -2.324 1.00 0.00 C ATOM 752 CG2 ILE A 480 6.157 2.133 -1.887 1.00 0.00 C ATOM 753 CD1 ILE A 480 4.885 5.107 -1.813 1.00 0.00 C ATOM 0 H ILE A 480 2.333 1.848 -0.181 1.00 0.00 H new ATOM 0 HA ILE A 480 3.658 1.203 -2.728 1.00 0.00 H new ATOM 0 HB ILE A 480 4.776 2.878 -0.442 1.00 0.00 H new ATOM 0 HG12 ILE A 480 4.653 3.651 -3.355 1.00 0.00 H new ATOM 0 HG13 ILE A 480 3.241 3.851 -2.336 1.00 0.00 H new ATOM 0 HG21 ILE A 480 6.857 2.959 -1.758 1.00 0.00 H new ATOM 0 HG22 ILE A 480 6.461 1.298 -1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 480 6.156 1.818 -2.930 1.00 0.00 H new ATOM 0 HD11 ILE A 480 4.540 5.921 -2.450 1.00 0.00 H new ATOM 0 HD12 ILE A 480 4.541 5.275 -0.792 1.00 0.00 H new ATOM 0 HD13 ILE A 480 5.974 5.071 -1.827 1.00 0.00 H new ATOM 765 N ILE A 481 4.787 -0.760 -1.683 1.00 0.00 N ATOM 766 CA ILE A 481 5.320 -1.985 -1.099 1.00 0.00 C ATOM 767 C ILE A 481 6.838 -2.041 -1.230 1.00 0.00 C ATOM 768 O ILE A 481 7.370 -2.318 -2.305 1.00 0.00 O ATOM 769 CB ILE A 481 4.713 -3.235 -1.762 1.00 0.00 C ATOM 770 CG1 ILE A 481 3.188 -3.219 -1.632 1.00 0.00 C ATOM 771 CG2 ILE A 481 5.289 -4.498 -1.140 1.00 0.00 C ATOM 772 CD1 ILE A 481 2.502 -4.309 -2.425 1.00 0.00 C ATOM 0 H ILE A 481 4.847 -0.717 -2.700 1.00 0.00 H new ATOM 0 HA ILE A 481 5.049 -1.975 -0.043 1.00 0.00 H new ATOM 0 HB ILE A 481 4.969 -3.226 -2.821 1.00 0.00 H new ATOM 0 HG12 ILE A 481 2.920 -3.323 -0.581 1.00 0.00 H new ATOM 0 HG13 ILE A 481 2.814 -2.250 -1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 481 4.850 -5.373 -1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 481 6.370 -4.512 -1.280 1.00 0.00 H new ATOM 0 HG23 ILE A 481 5.061 -4.516 -0.074 1.00 0.00 H new ATOM 0 HD11 ILE A 481 1.423 -4.236 -2.286 1.00 0.00 H new ATOM 0 HD12 ILE A 481 2.740 -4.194 -3.483 1.00 0.00 H new ATOM 0 HD13 ILE A 481 2.848 -5.283 -2.079 1.00 0.00 H new ATOM 784 N TYR A 482 7.531 -1.778 -0.127 1.00 0.00 N ATOM 785 CA TYR A 482 8.989 -1.797 -0.118 1.00 0.00 C ATOM 786 C TYR A 482 9.513 -3.006 0.652 1.00 0.00 C ATOM 787 O TYR A 482 8.995 -3.350 1.714 1.00 0.00 O ATOM 788 CB TYR A 482 9.534 -0.509 0.501 1.00 0.00 C ATOM 789 CG TYR A 482 10.964 -0.209 0.114 1.00 0.00 C ATOM 790 CD1 TYR A 482 12.026 -0.716 0.853 1.00 0.00 C ATOM 791 CD2 TYR A 482 11.254 0.581 -0.992 1.00 0.00 C ATOM 792 CE1 TYR A 482 13.334 -0.443 0.503 1.00 0.00 C ATOM 793 CE2 TYR A 482 12.559 0.858 -1.350 1.00 0.00 C ATOM 794 CZ TYR A 482 13.596 0.344 -0.599 1.00 0.00 C ATOM 795 OH TYR A 482 14.897 0.617 -0.952 1.00 0.00 O ATOM 0 H TYR A 482 7.107 -1.549 0.772 1.00 0.00 H new ATOM 0 HA TYR A 482 9.332 -1.869 -1.150 1.00 0.00 H new ATOM 0 HB2 TYR A 482 8.902 0.326 0.198 1.00 0.00 H new ATOM 0 HB3 TYR A 482 9.468 -0.581 1.587 1.00 0.00 H new ATOM 0 HD1 TYR A 482 11.825 -1.334 1.716 1.00 0.00 H new ATOM 0 HD2 TYR A 482 10.445 0.985 -1.582 1.00 0.00 H new ATOM 0 HE1 TYR A 482 14.148 -0.844 1.089 1.00 0.00 H new ATOM 0 HE2 TYR A 482 12.766 1.473 -2.213 1.00 0.00 H new ATOM 0 HH TYR A 482 14.907 1.183 -1.752 1.00 0.00 H new ATOM 805 N GLN A 483 10.543 -3.645 0.108 1.00 0.00 N ATOM 806 CA GLN A 483 11.138 -4.815 0.743 1.00 0.00 C ATOM 807 C GLN A 483 12.655 -4.804 0.593 1.00 0.00 C ATOM 808 O GLN A 483 13.193 -4.173 -0.316 1.00 0.00 O ATOM 809 CB GLN A 483 10.563 -6.097 0.138 1.00 0.00 C ATOM 810 CG GLN A 483 10.707 -6.175 -1.373 1.00 0.00 C ATOM 811 CD GLN A 483 10.390 -7.553 -1.920 1.00 0.00 C ATOM 812 OE1 GLN A 483 11.109 -8.518 -1.658 1.00 0.00 O ATOM 813 NE2 GLN A 483 9.309 -7.653 -2.685 1.00 0.00 N ATOM 0 H GLN A 483 10.983 -3.373 -0.771 1.00 0.00 H new ATOM 0 HA GLN A 483 10.897 -4.783 1.805 1.00 0.00 H new ATOM 0 HB2 GLN A 483 11.062 -6.956 0.587 1.00 0.00 H new ATOM 0 HB3 GLN A 483 9.507 -6.170 0.398 1.00 0.00 H new ATOM 0 HG2 GLN A 483 10.044 -5.444 -1.835 1.00 0.00 H new ATOM 0 HG3 GLN A 483 11.725 -5.903 -1.651 1.00 0.00 H new ATOM 0 HE21 GLN A 483 8.742 -6.827 -2.876 1.00 0.00 H new ATOM 0 HE22 GLN A 483 9.046 -8.555 -3.081 1.00 0.00 H new ATOM 822 N GLU A 484 13.339 -5.506 1.491 1.00 0.00 N ATOM 823 CA GLU A 484 14.795 -5.575 1.458 1.00 0.00 C ATOM 824 C GLU A 484 15.318 -6.542 2.516 1.00 0.00 C ATOM 825 O GLU A 484 14.591 -6.934 3.429 1.00 0.00 O ATOM 826 CB GLU A 484 15.399 -4.186 1.677 1.00 0.00 C ATOM 827 CG GLU A 484 16.902 -4.136 1.464 1.00 0.00 C ATOM 828 CD GLU A 484 17.320 -4.693 0.117 1.00 0.00 C ATOM 829 OE1 GLU A 484 16.501 -4.646 -0.825 1.00 0.00 O ATOM 830 OE2 GLU A 484 18.466 -5.175 0.005 1.00 0.00 O ATOM 0 H GLU A 484 12.908 -6.035 2.250 1.00 0.00 H new ATOM 0 HA GLU A 484 15.094 -5.942 0.476 1.00 0.00 H new ATOM 0 HB2 GLU A 484 14.921 -3.480 0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 484 15.173 -3.856 2.691 1.00 0.00 H new ATOM 0 HG2 GLU A 484 17.243 -3.104 1.548 1.00 0.00 H new ATOM 0 HG3 GLU A 484 17.396 -4.700 2.255 1.00 0.00 H new ATOM 837 N LYS A 485 16.585 -6.923 2.387 1.00 0.00 N ATOM 838 CA LYS A 485 17.207 -7.844 3.331 1.00 0.00 C ATOM 839 C LYS A 485 17.719 -7.099 4.559 1.00 0.00 C ATOM 840 O LYS A 485 18.171 -5.958 4.461 1.00 0.00 O ATOM 841 CB LYS A 485 18.360 -8.593 2.659 1.00 0.00 C ATOM 842 CG LYS A 485 18.747 -9.878 3.370 1.00 0.00 C ATOM 843 CD LYS A 485 20.011 -10.483 2.782 1.00 0.00 C ATOM 844 CE LYS A 485 19.700 -11.369 1.586 1.00 0.00 C ATOM 845 NZ LYS A 485 20.920 -11.668 0.786 1.00 0.00 N ATOM 0 H LYS A 485 17.201 -6.608 1.638 1.00 0.00 H new ATOM 0 HA LYS A 485 16.452 -8.562 3.651 1.00 0.00 H new ATOM 0 HB2 LYS A 485 18.081 -8.826 1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 485 19.230 -7.938 2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 485 18.898 -9.676 4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 485 17.930 -10.596 3.295 1.00 0.00 H new ATOM 0 HD2 LYS A 485 20.690 -9.686 2.479 1.00 0.00 H new ATOM 0 HD3 LYS A 485 20.525 -11.067 3.545 1.00 0.00 H new ATOM 0 HE2 LYS A 485 19.254 -12.302 1.931 1.00 0.00 H new ATOM 0 HE3 LYS A 485 18.961 -10.878 0.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 485 20.667 -12.274 -0.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 485 21.331 -10.780 0.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 485 21.615 -12.159 1.383 1.00 0.00 H new ATOM 950 N GLU A 493 16.645 -13.300 6.461 1.00 0.00 N ATOM 951 CA GLU A 493 15.208 -13.062 6.393 1.00 0.00 C ATOM 952 C GLU A 493 14.903 -11.793 5.601 1.00 0.00 C ATOM 953 O GLU A 493 15.655 -10.820 5.656 1.00 0.00 O ATOM 954 CB GLU A 493 14.620 -12.951 7.801 1.00 0.00 C ATOM 955 CG GLU A 493 13.102 -12.898 7.825 1.00 0.00 C ATOM 956 CD GLU A 493 12.541 -12.851 9.233 1.00 0.00 C ATOM 957 OE1 GLU A 493 13.255 -12.374 10.140 1.00 0.00 O ATOM 958 OE2 GLU A 493 11.389 -13.292 9.429 1.00 0.00 O ATOM 0 HA GLU A 493 14.749 -13.908 5.881 1.00 0.00 H new ATOM 0 HB2 GLU A 493 14.955 -13.803 8.393 1.00 0.00 H new ATOM 0 HB3 GLU A 493 15.014 -12.055 8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 493 12.764 -12.020 7.274 1.00 0.00 H new ATOM 0 HG3 GLU A 493 12.704 -13.771 7.308 1.00 0.00 H new ATOM 965 N ILE A 494 13.797 -11.813 4.866 1.00 0.00 N ATOM 966 CA ILE A 494 13.392 -10.665 4.064 1.00 0.00 C ATOM 967 C ILE A 494 12.173 -9.976 4.666 1.00 0.00 C ATOM 968 O ILE A 494 11.103 -10.574 4.784 1.00 0.00 O ATOM 969 CB ILE A 494 13.072 -11.076 2.615 1.00 0.00 C ATOM 970 CG1 ILE A 494 14.280 -11.766 1.978 1.00 0.00 C ATOM 971 CG2 ILE A 494 12.658 -9.861 1.799 1.00 0.00 C ATOM 972 CD1 ILE A 494 15.408 -10.818 1.639 1.00 0.00 C ATOM 0 H ILE A 494 13.165 -12.612 4.809 1.00 0.00 H new ATOM 0 HA ILE A 494 14.233 -9.971 4.059 1.00 0.00 H new ATOM 0 HB ILE A 494 12.241 -11.781 2.628 1.00 0.00 H new ATOM 0 HG12 ILE A 494 14.652 -12.531 2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 494 13.960 -12.276 1.070 1.00 0.00 H new ATOM 0 HG21 ILE A 494 12.435 -10.168 0.777 1.00 0.00 H new ATOM 0 HG22 ILE A 494 11.771 -9.409 2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 494 13.470 -9.134 1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 494 16.230 -11.376 1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 494 15.053 -10.067 0.933 1.00 0.00 H new ATOM 0 HD13 ILE A 494 15.756 -10.326 2.548 1.00 0.00 H new ATOM 984 N ILE A 495 12.341 -8.713 5.045 1.00 0.00 N ATOM 985 CA ILE A 495 11.254 -7.941 5.633 1.00 0.00 C ATOM 986 C ILE A 495 10.348 -7.357 4.553 1.00 0.00 C ATOM 987 O ILE A 495 10.647 -7.446 3.363 1.00 0.00 O ATOM 988 CB ILE A 495 11.788 -6.796 6.513 1.00 0.00 C ATOM 989 CG1 ILE A 495 12.371 -5.682 5.641 1.00 0.00 C ATOM 990 CG2 ILE A 495 12.836 -7.319 7.484 1.00 0.00 C ATOM 991 CD1 ILE A 495 11.319 -4.817 4.982 1.00 0.00 C ATOM 0 H ILE A 495 13.220 -8.203 4.955 1.00 0.00 H new ATOM 0 HA ILE A 495 10.679 -8.628 6.254 1.00 0.00 H new ATOM 0 HB ILE A 495 10.960 -6.384 7.090 1.00 0.00 H new ATOM 0 HG12 ILE A 495 13.016 -5.052 6.254 1.00 0.00 H new ATOM 0 HG13 ILE A 495 12.999 -6.127 4.869 1.00 0.00 H new ATOM 0 HG21 ILE A 495 13.204 -6.498 8.099 1.00 0.00 H new ATOM 0 HG22 ILE A 495 12.391 -8.081 8.124 1.00 0.00 H new ATOM 0 HG23 ILE A 495 13.665 -7.754 6.925 1.00 0.00 H new ATOM 0 HD11 ILE A 495 11.804 -4.049 4.380 1.00 0.00 H new ATOM 0 HD12 ILE A 495 10.688 -5.435 4.343 1.00 0.00 H new ATOM 0 HD13 ILE A 495 10.705 -4.343 5.748 1.00 0.00 H new ATOM 1003 N VAL A 496 9.240 -6.758 4.978 1.00 0.00 N ATOM 1004 CA VAL A 496 8.292 -6.157 4.049 1.00 0.00 C ATOM 1005 C VAL A 496 7.542 -5.000 4.700 1.00 0.00 C ATOM 1006 O VAL A 496 6.684 -5.207 5.559 1.00 0.00 O ATOM 1007 CB VAL A 496 7.272 -7.193 3.538 1.00 0.00 C ATOM 1008 CG1 VAL A 496 6.223 -6.523 2.664 1.00 0.00 C ATOM 1009 CG2 VAL A 496 7.979 -8.306 2.780 1.00 0.00 C ATOM 0 H VAL A 496 8.977 -6.676 5.960 1.00 0.00 H new ATOM 0 HA VAL A 496 8.871 -5.782 3.205 1.00 0.00 H new ATOM 0 HB VAL A 496 6.766 -7.634 4.397 1.00 0.00 H new ATOM 0 HG11 VAL A 496 5.511 -7.270 2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 496 5.697 -5.765 3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 496 6.708 -6.053 1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 496 7.244 -9.029 2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 496 8.512 -7.884 1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 496 8.688 -8.804 3.442 1.00 0.00 H new ATOM 1019 N LYS A 497 7.870 -3.781 4.286 1.00 0.00 N ATOM 1020 CA LYS A 497 7.227 -2.590 4.827 1.00 0.00 C ATOM 1021 C LYS A 497 6.124 -2.097 3.896 1.00 0.00 C ATOM 1022 O LYS A 497 6.395 -1.628 2.791 1.00 0.00 O ATOM 1023 CB LYS A 497 8.260 -1.481 5.042 1.00 0.00 C ATOM 1024 CG LYS A 497 9.271 -1.795 6.131 1.00 0.00 C ATOM 1025 CD LYS A 497 10.290 -0.679 6.285 1.00 0.00 C ATOM 1026 CE LYS A 497 11.412 -1.074 7.233 1.00 0.00 C ATOM 1027 NZ LYS A 497 12.530 -1.749 6.518 1.00 0.00 N ATOM 0 H LYS A 497 8.578 -3.592 3.577 1.00 0.00 H new ATOM 0 HA LYS A 497 6.779 -2.853 5.785 1.00 0.00 H new ATOM 0 HB2 LYS A 497 8.790 -1.303 4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 497 7.741 -0.557 5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 497 8.752 -1.948 7.077 1.00 0.00 H new ATOM 0 HG3 LYS A 497 9.784 -2.727 5.894 1.00 0.00 H new ATOM 0 HD2 LYS A 497 10.708 -0.429 5.310 1.00 0.00 H new ATOM 0 HD3 LYS A 497 9.795 0.217 6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 497 11.789 -0.186 7.740 1.00 0.00 H new ATOM 0 HE3 LYS A 497 11.020 -1.738 8.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 497 13.078 -2.321 7.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 497 12.145 -2.365 5.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 497 13.149 -1.033 6.088 1.00 0.00 H new ATOM 1041 N ILE A 498 4.880 -2.205 4.351 1.00 0.00 N ATOM 1042 CA ILE A 498 3.737 -1.768 3.560 1.00 0.00 C ATOM 1043 C ILE A 498 3.291 -0.367 3.965 1.00 0.00 C ATOM 1044 O ILE A 498 2.803 -0.156 5.076 1.00 0.00 O ATOM 1045 CB ILE A 498 2.547 -2.735 3.707 1.00 0.00 C ATOM 1046 CG1 ILE A 498 2.933 -4.131 3.214 1.00 0.00 C ATOM 1047 CG2 ILE A 498 1.341 -2.212 2.942 1.00 0.00 C ATOM 1048 CD1 ILE A 498 2.005 -5.222 3.701 1.00 0.00 C ATOM 0 H ILE A 498 4.638 -2.591 5.264 1.00 0.00 H new ATOM 0 HA ILE A 498 4.060 -1.758 2.519 1.00 0.00 H new ATOM 0 HB ILE A 498 2.281 -2.803 4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 498 2.942 -4.133 2.124 1.00 0.00 H new ATOM 0 HG13 ILE A 498 3.948 -4.355 3.542 1.00 0.00 H new ATOM 0 HG21 ILE A 498 0.509 -2.907 3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 498 1.056 -1.236 3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 498 1.593 -2.118 1.886 1.00 0.00 H new ATOM 0 HD11 ILE A 498 2.339 -6.184 3.313 1.00 0.00 H new ATOM 0 HD12 ILE A 498 2.014 -5.248 4.791 1.00 0.00 H new ATOM 0 HD13 ILE A 498 0.992 -5.022 3.351 1.00 0.00 H new ATOM 1060 N PHE A 499 3.461 0.588 3.057 1.00 0.00 N ATOM 1061 CA PHE A 499 3.075 1.970 3.319 1.00 0.00 C ATOM 1062 C PHE A 499 1.672 2.253 2.789 1.00 0.00 C ATOM 1063 O PHE A 499 1.304 1.803 1.704 1.00 0.00 O ATOM 1064 CB PHE A 499 4.078 2.931 2.678 1.00 0.00 C ATOM 1065 CG PHE A 499 5.500 2.677 3.090 1.00 0.00 C ATOM 1066 CD1 PHE A 499 5.885 2.808 4.414 1.00 0.00 C ATOM 1067 CD2 PHE A 499 6.451 2.306 2.152 1.00 0.00 C ATOM 1068 CE1 PHE A 499 7.193 2.575 4.795 1.00 0.00 C ATOM 1069 CE2 PHE A 499 7.760 2.072 2.528 1.00 0.00 C ATOM 1070 CZ PHE A 499 8.132 2.205 3.851 1.00 0.00 C ATOM 0 H PHE A 499 3.864 0.431 2.133 1.00 0.00 H new ATOM 0 HA PHE A 499 3.074 2.123 4.398 1.00 0.00 H new ATOM 0 HB2 PHE A 499 4.003 2.852 1.593 1.00 0.00 H new ATOM 0 HB3 PHE A 499 3.809 3.954 2.942 1.00 0.00 H new ATOM 0 HD1 PHE A 499 5.155 3.095 5.157 1.00 0.00 H new ATOM 0 HD2 PHE A 499 6.166 2.199 1.116 1.00 0.00 H new ATOM 0 HE1 PHE A 499 7.481 2.682 5.830 1.00 0.00 H new ATOM 0 HE2 PHE A 499 8.492 1.785 1.787 1.00 0.00 H new ATOM 0 HZ PHE A 499 9.154 2.020 4.147 1.00 0.00 H new ATOM 1080 N VAL A 500 0.894 3.001 3.565 1.00 0.00 N ATOM 1081 CA VAL A 500 -0.469 3.345 3.175 1.00 0.00 C ATOM 1082 C VAL A 500 -0.742 4.830 3.385 1.00 0.00 C ATOM 1083 O VAL A 500 -0.929 5.283 4.513 1.00 0.00 O ATOM 1084 CB VAL A 500 -1.503 2.526 3.970 1.00 0.00 C ATOM 1085 CG1 VAL A 500 -2.915 2.989 3.643 1.00 0.00 C ATOM 1086 CG2 VAL A 500 -1.341 1.041 3.684 1.00 0.00 C ATOM 0 H VAL A 500 1.184 3.380 4.467 1.00 0.00 H new ATOM 0 HA VAL A 500 -0.565 3.107 2.116 1.00 0.00 H new ATOM 0 HB VAL A 500 -1.329 2.688 5.034 1.00 0.00 H new ATOM 0 HG11 VAL A 500 -3.633 2.399 4.214 1.00 0.00 H new ATOM 0 HG12 VAL A 500 -3.022 4.042 3.903 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -3.103 2.858 2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 500 -2.080 0.478 4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 500 -1.487 0.857 2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 500 -0.340 0.722 3.973 1.00 0.00 H new ATOM 1096 N GLU A 501 -0.763 5.583 2.289 1.00 0.00 N ATOM 1097 CA GLU A 501 -1.013 7.018 2.354 1.00 0.00 C ATOM 1098 C GLU A 501 -2.495 7.321 2.157 1.00 0.00 C ATOM 1099 O GLU A 501 -3.132 6.796 1.243 1.00 0.00 O ATOM 1100 CB GLU A 501 -0.186 7.750 1.295 1.00 0.00 C ATOM 1101 CG GLU A 501 -0.572 9.210 1.124 1.00 0.00 C ATOM 1102 CD GLU A 501 -0.026 10.092 2.230 1.00 0.00 C ATOM 1103 OE1 GLU A 501 -0.021 9.647 3.397 1.00 0.00 O ATOM 1104 OE2 GLU A 501 0.397 11.227 1.928 1.00 0.00 O ATOM 0 H GLU A 501 -0.610 5.223 1.347 1.00 0.00 H new ATOM 0 HA GLU A 501 -0.717 7.369 3.343 1.00 0.00 H new ATOM 0 HB2 GLU A 501 0.868 7.691 1.565 1.00 0.00 H new ATOM 0 HB3 GLU A 501 -0.300 7.238 0.339 1.00 0.00 H new ATOM 0 HG2 GLU A 501 -0.204 9.569 0.163 1.00 0.00 H new ATOM 0 HG3 GLU A 501 -1.658 9.294 1.100 1.00 0.00 H new ATOM 1111 N PHE A 502 -3.039 8.172 3.021 1.00 0.00 N ATOM 1112 CA PHE A 502 -4.446 8.545 2.943 1.00 0.00 C ATOM 1113 C PHE A 502 -4.601 10.000 2.509 1.00 0.00 C ATOM 1114 O PHE A 502 -3.614 10.715 2.336 1.00 0.00 O ATOM 1115 CB PHE A 502 -5.128 8.330 4.296 1.00 0.00 C ATOM 1116 CG PHE A 502 -5.300 6.882 4.657 1.00 0.00 C ATOM 1117 CD1 PHE A 502 -6.331 6.136 4.109 1.00 0.00 C ATOM 1118 CD2 PHE A 502 -4.431 6.268 5.544 1.00 0.00 C ATOM 1119 CE1 PHE A 502 -6.492 4.803 4.439 1.00 0.00 C ATOM 1120 CE2 PHE A 502 -4.587 4.935 5.877 1.00 0.00 C ATOM 1121 CZ PHE A 502 -5.619 4.202 5.325 1.00 0.00 C ATOM 0 H PHE A 502 -2.527 8.616 3.783 1.00 0.00 H new ATOM 0 HA PHE A 502 -4.923 7.909 2.197 1.00 0.00 H new ATOM 0 HB2 PHE A 502 -4.542 8.822 5.072 1.00 0.00 H new ATOM 0 HB3 PHE A 502 -6.106 8.811 4.282 1.00 0.00 H new ATOM 0 HD1 PHE A 502 -7.017 6.601 3.416 1.00 0.00 H new ATOM 0 HD2 PHE A 502 -3.623 6.837 5.980 1.00 0.00 H new ATOM 0 HE1 PHE A 502 -7.299 4.232 4.005 1.00 0.00 H new ATOM 0 HE2 PHE A 502 -3.902 4.467 6.569 1.00 0.00 H new ATOM 0 HZ PHE A 502 -5.743 3.161 5.585 1.00 0.00 H new ATOM 1131 N SER A 503 -5.846 10.431 2.336 1.00 0.00 N ATOM 1132 CA SER A 503 -6.131 11.798 1.918 1.00 0.00 C ATOM 1133 C SER A 503 -5.758 12.791 3.015 1.00 0.00 C ATOM 1134 O SER A 503 -5.112 13.806 2.756 1.00 0.00 O ATOM 1135 CB SER A 503 -7.611 11.948 1.561 1.00 0.00 C ATOM 1136 OG SER A 503 -7.903 11.321 0.324 1.00 0.00 O ATOM 0 H SER A 503 -6.674 9.853 2.479 1.00 0.00 H new ATOM 0 HA SER A 503 -5.528 12.014 1.036 1.00 0.00 H new ATOM 0 HB2 SER A 503 -8.224 11.510 2.348 1.00 0.00 H new ATOM 0 HB3 SER A 503 -7.870 13.005 1.506 1.00 0.00 H new ATOM 0 HG SER A 503 -7.067 11.065 -0.118 1.00 0.00 H new ATOM 1142 N ILE A 504 -6.170 12.488 4.242 1.00 0.00 N ATOM 1143 CA ILE A 504 -5.879 13.352 5.379 1.00 0.00 C ATOM 1144 C ILE A 504 -5.133 12.592 6.470 1.00 0.00 C ATOM 1145 O ILE A 504 -5.078 11.362 6.458 1.00 0.00 O ATOM 1146 CB ILE A 504 -7.167 13.951 5.976 1.00 0.00 C ATOM 1147 CG1 ILE A 504 -8.213 12.855 6.189 1.00 0.00 C ATOM 1148 CG2 ILE A 504 -7.712 15.043 5.068 1.00 0.00 C ATOM 1149 CD1 ILE A 504 -9.478 13.350 6.855 1.00 0.00 C ATOM 0 H ILE A 504 -6.706 11.651 4.473 1.00 0.00 H new ATOM 0 HA ILE A 504 -5.250 14.161 5.007 1.00 0.00 H new ATOM 0 HB ILE A 504 -6.931 14.394 6.943 1.00 0.00 H new ATOM 0 HG12 ILE A 504 -8.468 12.414 5.225 1.00 0.00 H new ATOM 0 HG13 ILE A 504 -7.778 12.062 6.797 1.00 0.00 H new ATOM 0 HG21 ILE A 504 -8.622 15.457 5.502 1.00 0.00 H new ATOM 0 HG22 ILE A 504 -6.968 15.833 4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 504 -7.937 14.623 4.088 1.00 0.00 H new ATOM 0 HD11 ILE A 504 -10.175 12.520 6.975 1.00 0.00 H new ATOM 0 HD12 ILE A 504 -9.236 13.764 7.834 1.00 0.00 H new ATOM 0 HD13 ILE A 504 -9.936 14.122 6.237 1.00 0.00 H new ATOM 1161 N ALA A 505 -4.561 13.332 7.414 1.00 0.00 N ATOM 1162 CA ALA A 505 -3.821 12.727 8.515 1.00 0.00 C ATOM 1163 C ALA A 505 -4.760 12.012 9.481 1.00 0.00 C ATOM 1164 O ALA A 505 -4.433 10.948 10.006 1.00 0.00 O ATOM 1165 CB ALA A 505 -3.011 13.785 9.251 1.00 0.00 C ATOM 0 H ALA A 505 -4.596 14.351 7.439 1.00 0.00 H new ATOM 0 HA ALA A 505 -3.139 11.987 8.097 1.00 0.00 H new ATOM 0 HB1 ALA A 505 -2.464 13.319 10.070 1.00 0.00 H new ATOM 0 HB2 ALA A 505 -2.306 14.249 8.561 1.00 0.00 H new ATOM 0 HB3 ALA A 505 -3.683 14.546 9.649 1.00 0.00 H new ATOM 1171 N SER A 506 -5.928 12.604 9.710 1.00 0.00 N ATOM 1172 CA SER A 506 -6.913 12.025 10.616 1.00 0.00 C ATOM 1173 C SER A 506 -7.162 10.557 10.282 1.00 0.00 C ATOM 1174 O SER A 506 -6.904 9.672 11.098 1.00 0.00 O ATOM 1175 CB SER A 506 -8.226 12.806 10.542 1.00 0.00 C ATOM 1176 OG SER A 506 -9.139 12.364 11.532 1.00 0.00 O ATOM 0 H SER A 506 -6.215 13.484 9.281 1.00 0.00 H new ATOM 0 HA SER A 506 -6.518 12.087 11.630 1.00 0.00 H new ATOM 0 HB2 SER A 506 -8.028 13.870 10.674 1.00 0.00 H new ATOM 0 HB3 SER A 506 -8.670 12.685 9.554 1.00 0.00 H new ATOM 0 HG SER A 506 -9.969 12.880 11.465 1.00 0.00 H new ATOM 1182 N GLU A 507 -7.664 10.308 9.077 1.00 0.00 N ATOM 1183 CA GLU A 507 -7.949 8.947 8.635 1.00 0.00 C ATOM 1184 C GLU A 507 -6.788 8.014 8.967 1.00 0.00 C ATOM 1185 O GLU A 507 -6.991 6.897 9.444 1.00 0.00 O ATOM 1186 CB GLU A 507 -8.223 8.923 7.130 1.00 0.00 C ATOM 1187 CG GLU A 507 -9.448 9.725 6.722 1.00 0.00 C ATOM 1188 CD GLU A 507 -10.746 9.006 7.032 1.00 0.00 C ATOM 1189 OE1 GLU A 507 -10.841 8.392 8.115 1.00 0.00 O ATOM 1190 OE2 GLU A 507 -11.668 9.058 6.191 1.00 0.00 O ATOM 0 H GLU A 507 -7.882 11.029 8.390 1.00 0.00 H new ATOM 0 HA GLU A 507 -8.836 8.598 9.164 1.00 0.00 H new ATOM 0 HB2 GLU A 507 -7.352 9.313 6.604 1.00 0.00 H new ATOM 0 HB3 GLU A 507 -8.352 7.889 6.809 1.00 0.00 H new ATOM 0 HG2 GLU A 507 -9.437 10.685 7.237 1.00 0.00 H new ATOM 0 HG3 GLU A 507 -9.400 9.936 5.654 1.00 0.00 H new ATOM 1197 N THR A 508 -5.569 8.480 8.710 1.00 0.00 N ATOM 1198 CA THR A 508 -4.376 7.688 8.979 1.00 0.00 C ATOM 1199 C THR A 508 -4.238 7.388 10.467 1.00 0.00 C ATOM 1200 O THR A 508 -4.215 6.227 10.877 1.00 0.00 O ATOM 1201 CB THR A 508 -3.103 8.406 8.492 1.00 0.00 C ATOM 1202 OG1 THR A 508 -3.257 8.802 7.124 1.00 0.00 O ATOM 1203 CG2 THR A 508 -1.886 7.504 8.630 1.00 0.00 C ATOM 0 H THR A 508 -5.383 9.402 8.316 1.00 0.00 H new ATOM 0 HA THR A 508 -4.489 6.752 8.432 1.00 0.00 H new ATOM 0 HB THR A 508 -2.952 9.290 9.111 1.00 0.00 H new ATOM 0 HG1 THR A 508 -3.836 9.591 7.075 1.00 0.00 H new ATOM 0 HG21 THR A 508 -1.000 8.033 8.280 1.00 0.00 H new ATOM 0 HG22 THR A 508 -1.754 7.228 9.676 1.00 0.00 H new ATOM 0 HG23 THR A 508 -2.031 6.604 8.033 1.00 0.00 H new ATOM 1211 N HIS A 509 -4.148 8.441 11.272 1.00 0.00 N ATOM 1212 CA HIS A 509 -4.014 8.290 12.717 1.00 0.00 C ATOM 1213 C HIS A 509 -4.918 7.173 13.232 1.00 0.00 C ATOM 1214 O HIS A 509 -4.524 6.392 14.099 1.00 0.00 O ATOM 1215 CB HIS A 509 -4.355 9.603 13.422 1.00 0.00 C ATOM 1216 CG HIS A 509 -3.229 10.591 13.425 1.00 0.00 C ATOM 1217 ND1 HIS A 509 -2.727 11.158 14.578 1.00 0.00 N ATOM 1218 CD2 HIS A 509 -2.505 11.111 12.406 1.00 0.00 C ATOM 1219 CE1 HIS A 509 -1.745 11.985 14.268 1.00 0.00 C ATOM 1220 NE2 HIS A 509 -1.590 11.975 12.956 1.00 0.00 N ATOM 0 H HIS A 509 -4.165 9.408 10.949 1.00 0.00 H new ATOM 0 HA HIS A 509 -2.979 8.027 12.936 1.00 0.00 H new ATOM 0 HB2 HIS A 509 -5.221 10.053 12.936 1.00 0.00 H new ATOM 0 HB3 HIS A 509 -4.643 9.389 14.451 1.00 0.00 H new ATOM 0 HD2 HIS A 509 -2.625 10.888 11.356 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -1.167 12.570 14.968 1.00 0.00 H new ATOM 0 HE2 HIS A 509 -0.903 12.520 12.436 1.00 0.00 H new ATOM 1228 N LYS A 510 -6.130 7.104 12.694 1.00 0.00 N ATOM 1229 CA LYS A 510 -7.090 6.084 13.098 1.00 0.00 C ATOM 1230 C LYS A 510 -6.620 4.696 12.674 1.00 0.00 C ATOM 1231 O LYS A 510 -6.442 3.809 13.508 1.00 0.00 O ATOM 1232 CB LYS A 510 -8.463 6.376 12.490 1.00 0.00 C ATOM 1233 CG LYS A 510 -9.487 5.283 12.744 1.00 0.00 C ATOM 1234 CD LYS A 510 -10.846 5.647 12.170 1.00 0.00 C ATOM 1235 CE LYS A 510 -11.535 6.715 13.005 1.00 0.00 C ATOM 1236 NZ LYS A 510 -13.018 6.645 12.881 1.00 0.00 N ATOM 0 H LYS A 510 -6.471 7.743 11.976 1.00 0.00 H new ATOM 0 HA LYS A 510 -7.169 6.106 14.185 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -8.838 7.315 12.896 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -8.352 6.516 11.415 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -9.142 4.349 12.300 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -9.578 5.111 13.816 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -10.726 6.004 11.147 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -11.474 4.757 12.126 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -11.252 6.597 14.051 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -11.190 7.700 12.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -13.451 7.389 13.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -13.290 6.783 11.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -13.350 5.714 13.205 1.00 0.00 H new ATOM 1250 N ALA A 511 -6.418 4.516 11.373 1.00 0.00 N ATOM 1251 CA ALA A 511 -5.965 3.238 10.839 1.00 0.00 C ATOM 1252 C ALA A 511 -4.851 2.649 11.698 1.00 0.00 C ATOM 1253 O ALA A 511 -4.786 1.436 11.899 1.00 0.00 O ATOM 1254 CB ALA A 511 -5.495 3.403 9.402 1.00 0.00 C ATOM 0 H ALA A 511 -6.561 5.240 10.669 1.00 0.00 H new ATOM 0 HA ALA A 511 -6.807 2.546 10.857 1.00 0.00 H new ATOM 0 HB1 ALA A 511 -5.159 2.440 9.016 1.00 0.00 H new ATOM 0 HB2 ALA A 511 -6.318 3.772 8.790 1.00 0.00 H new ATOM 0 HB3 ALA A 511 -4.670 4.115 9.368 1.00 0.00 H new ATOM 1260 N ILE A 512 -3.977 3.514 12.200 1.00 0.00 N ATOM 1261 CA ILE A 512 -2.866 3.078 13.037 1.00 0.00 C ATOM 1262 C ILE A 512 -3.347 2.692 14.432 1.00 0.00 C ATOM 1263 O ILE A 512 -2.929 1.674 14.982 1.00 0.00 O ATOM 1264 CB ILE A 512 -1.792 4.175 13.163 1.00 0.00 C ATOM 1265 CG1 ILE A 512 -1.263 4.561 11.780 1.00 0.00 C ATOM 1266 CG2 ILE A 512 -0.656 3.703 14.058 1.00 0.00 C ATOM 1267 CD1 ILE A 512 -0.471 5.850 11.775 1.00 0.00 C ATOM 0 H ILE A 512 -4.016 4.521 12.042 1.00 0.00 H new ATOM 0 HA ILE A 512 -2.429 2.206 12.551 1.00 0.00 H new ATOM 0 HB ILE A 512 -2.244 5.056 13.618 1.00 0.00 H new ATOM 0 HG12 ILE A 512 -0.633 3.755 11.403 1.00 0.00 H new ATOM 0 HG13 ILE A 512 -2.103 4.657 11.092 1.00 0.00 H new ATOM 0 HG21 ILE A 512 0.095 4.489 14.137 1.00 0.00 H new ATOM 0 HG22 ILE A 512 -1.046 3.472 15.049 1.00 0.00 H new ATOM 0 HG23 ILE A 512 -0.202 2.809 13.629 1.00 0.00 H new ATOM 0 HD11 ILE A 512 -0.127 6.062 10.763 1.00 0.00 H new ATOM 0 HD12 ILE A 512 -1.104 6.667 12.122 1.00 0.00 H new ATOM 0 HD13 ILE A 512 0.389 5.751 12.437 1.00 0.00 H new ATOM 1279 N GLN A 513 -4.229 3.510 14.995 1.00 0.00 N ATOM 1280 CA GLN A 513 -4.768 3.253 16.325 1.00 0.00 C ATOM 1281 C GLN A 513 -5.403 1.868 16.397 1.00 0.00 C ATOM 1282 O GLN A 513 -5.458 1.254 17.462 1.00 0.00 O ATOM 1283 CB GLN A 513 -5.800 4.320 16.696 1.00 0.00 C ATOM 1284 CG GLN A 513 -5.189 5.573 17.301 1.00 0.00 C ATOM 1285 CD GLN A 513 -6.174 6.352 18.149 1.00 0.00 C ATOM 1286 OE1 GLN A 513 -5.890 6.690 19.299 1.00 0.00 O ATOM 1287 NE2 GLN A 513 -7.342 6.641 17.587 1.00 0.00 N ATOM 0 H GLN A 513 -4.586 4.356 14.551 1.00 0.00 H new ATOM 0 HA GLN A 513 -3.944 3.292 17.037 1.00 0.00 H new ATOM 0 HB2 GLN A 513 -6.363 4.595 15.804 1.00 0.00 H new ATOM 0 HB3 GLN A 513 -6.512 3.895 17.404 1.00 0.00 H new ATOM 0 HG2 GLN A 513 -4.330 5.295 17.912 1.00 0.00 H new ATOM 0 HG3 GLN A 513 -4.818 6.214 16.501 1.00 0.00 H new ATOM 0 HE21 GLN A 513 -7.536 6.342 16.631 1.00 0.00 H new ATOM 0 HE22 GLN A 513 -8.045 7.162 18.111 1.00 0.00 H new ATOM 1296 N ALA A 514 -5.882 1.383 15.256 1.00 0.00 N ATOM 1297 CA ALA A 514 -6.512 0.070 15.189 1.00 0.00 C ATOM 1298 C ALA A 514 -5.524 -0.989 14.712 1.00 0.00 C ATOM 1299 O ALA A 514 -5.332 -2.015 15.367 1.00 0.00 O ATOM 1300 CB ALA A 514 -7.726 0.113 14.273 1.00 0.00 C ATOM 0 H ALA A 514 -5.846 1.880 14.366 1.00 0.00 H new ATOM 0 HA ALA A 514 -6.838 -0.201 16.193 1.00 0.00 H new ATOM 0 HB1 ALA A 514 -8.186 -0.874 14.232 1.00 0.00 H new ATOM 0 HB2 ALA A 514 -8.447 0.834 14.658 1.00 0.00 H new ATOM 0 HB3 ALA A 514 -7.416 0.410 13.271 1.00 0.00 H new ATOM 1306 N LEU A 515 -4.899 -0.736 13.568 1.00 0.00 N ATOM 1307 CA LEU A 515 -3.930 -1.668 13.002 1.00 0.00 C ATOM 1308 C LEU A 515 -2.694 -1.775 13.889 1.00 0.00 C ATOM 1309 O LEU A 515 -1.797 -2.575 13.628 1.00 0.00 O ATOM 1310 CB LEU A 515 -3.525 -1.223 11.595 1.00 0.00 C ATOM 1311 CG LEU A 515 -4.598 -1.357 10.514 1.00 0.00 C ATOM 1312 CD1 LEU A 515 -4.291 -0.439 9.341 1.00 0.00 C ATOM 1313 CD2 LEU A 515 -4.708 -2.801 10.048 1.00 0.00 C ATOM 0 H LEU A 515 -5.046 0.107 13.013 1.00 0.00 H new ATOM 0 HA LEU A 515 -4.399 -2.650 12.945 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -3.213 -0.180 11.641 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -2.654 -1.803 11.289 1.00 0.00 H new ATOM 0 HG LEU A 515 -5.556 -1.060 10.941 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -5.065 -0.548 8.581 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -4.263 0.595 9.686 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -3.324 -0.705 8.914 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -5.476 -2.878 9.279 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -3.751 -3.125 9.639 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -4.975 -3.436 10.892 1.00 0.00 H new ATOM 1325 N ASN A 516 -2.656 -0.964 14.942 1.00 0.00 N ATOM 1326 CA ASN A 516 -1.531 -0.968 15.870 1.00 0.00 C ATOM 1327 C ASN A 516 -1.485 -2.271 16.662 1.00 0.00 C ATOM 1328 O ASN A 516 -0.525 -2.537 17.385 1.00 0.00 O ATOM 1329 CB ASN A 516 -1.628 0.221 16.827 1.00 0.00 C ATOM 1330 CG ASN A 516 -0.974 -0.059 18.166 1.00 0.00 C ATOM 1331 OD1 ASN A 516 0.234 -0.285 18.244 1.00 0.00 O ATOM 1332 ND2 ASN A 516 -1.771 -0.046 19.228 1.00 0.00 N ATOM 0 H ASN A 516 -3.391 -0.296 15.174 1.00 0.00 H new ATOM 0 HA ASN A 516 -0.612 -0.884 15.289 1.00 0.00 H new ATOM 0 HB2 ASN A 516 -1.156 1.091 16.370 1.00 0.00 H new ATOM 0 HB3 ASN A 516 -2.677 0.473 16.984 1.00 0.00 H new ATOM 0 HD21 ASN A 516 -1.388 -0.228 20.156 1.00 0.00 H new ATOM 0 HD22 ASN A 516 -2.766 0.146 19.116 1.00 0.00 H new ATOM 1339 N GLY A 517 -2.530 -3.081 16.521 1.00 0.00 N ATOM 1340 CA GLY A 517 -2.589 -4.346 17.229 1.00 0.00 C ATOM 1341 C GLY A 517 -3.581 -5.311 16.612 1.00 0.00 C ATOM 1342 O GLY A 517 -4.028 -6.255 17.264 1.00 0.00 O ATOM 0 H GLY A 517 -3.337 -2.883 15.929 1.00 0.00 H new ATOM 0 HA2 GLY A 517 -1.599 -4.802 17.235 1.00 0.00 H new ATOM 0 HA3 GLY A 517 -2.862 -4.164 18.268 1.00 0.00 H new ATOM 1346 N ARG A 518 -3.930 -5.073 15.351 1.00 0.00 N ATOM 1347 CA ARG A 518 -4.879 -5.926 14.647 1.00 0.00 C ATOM 1348 C ARG A 518 -4.406 -7.377 14.642 1.00 0.00 C ATOM 1349 O ARG A 518 -3.217 -7.653 14.804 1.00 0.00 O ATOM 1350 CB ARG A 518 -5.069 -5.436 13.210 1.00 0.00 C ATOM 1351 CG ARG A 518 -6.191 -4.422 13.056 1.00 0.00 C ATOM 1352 CD ARG A 518 -7.555 -5.094 13.069 1.00 0.00 C ATOM 1353 NE ARG A 518 -8.632 -4.152 12.780 1.00 0.00 N ATOM 1354 CZ ARG A 518 -8.880 -3.669 11.567 1.00 0.00 C ATOM 1355 NH1 ARG A 518 -8.131 -4.038 10.537 1.00 0.00 N ATOM 1356 NH2 ARG A 518 -9.879 -2.815 11.383 1.00 0.00 N ATOM 0 H ARG A 518 -3.569 -4.296 14.797 1.00 0.00 H new ATOM 0 HA ARG A 518 -5.833 -5.874 15.171 1.00 0.00 H new ATOM 0 HB2 ARG A 518 -4.138 -4.990 12.861 1.00 0.00 H new ATOM 0 HB3 ARG A 518 -5.274 -6.292 12.567 1.00 0.00 H new ATOM 0 HG2 ARG A 518 -6.136 -3.692 13.863 1.00 0.00 H new ATOM 0 HG3 ARG A 518 -6.063 -3.875 12.122 1.00 0.00 H new ATOM 0 HD2 ARG A 518 -7.570 -5.898 12.333 1.00 0.00 H new ATOM 0 HD3 ARG A 518 -7.725 -5.551 14.044 1.00 0.00 H new ATOM 0 HE ARG A 518 -9.227 -3.848 13.551 1.00 0.00 H new ATOM 0 HH11 ARG A 518 -7.362 -4.694 10.675 1.00 0.00 H new ATOM 0 HH12 ARG A 518 -8.324 -3.666 9.607 1.00 0.00 H new ATOM 0 HH21 ARG A 518 -10.457 -2.529 12.173 1.00 0.00 H new ATOM 0 HH22 ARG A 518 -10.069 -2.445 10.452 1.00 0.00 H new ATOM 1370 N TRP A 519 -5.344 -8.298 14.456 1.00 0.00 N ATOM 1371 CA TRP A 519 -5.023 -9.721 14.431 1.00 0.00 C ATOM 1372 C TRP A 519 -5.172 -10.288 13.024 1.00 0.00 C ATOM 1373 O TRP A 519 -6.251 -10.235 12.433 1.00 0.00 O ATOM 1374 CB TRP A 519 -5.926 -10.486 15.400 1.00 0.00 C ATOM 1375 CG TRP A 519 -5.318 -10.671 16.758 1.00 0.00 C ATOM 1376 CD1 TRP A 519 -5.612 -9.966 17.890 1.00 0.00 C ATOM 1377 CD2 TRP A 519 -4.312 -11.621 17.124 1.00 0.00 C ATOM 1378 NE1 TRP A 519 -4.849 -10.421 18.938 1.00 0.00 N ATOM 1379 CE2 TRP A 519 -4.044 -11.437 18.495 1.00 0.00 C ATOM 1380 CE3 TRP A 519 -3.612 -12.611 16.428 1.00 0.00 C ATOM 1381 CZ2 TRP A 519 -3.106 -12.205 19.179 1.00 0.00 C ATOM 1382 CZ3 TRP A 519 -2.682 -13.372 17.109 1.00 0.00 C ATOM 1383 CH2 TRP A 519 -2.436 -13.167 18.473 1.00 0.00 C ATOM 0 H TRP A 519 -6.332 -8.086 14.320 1.00 0.00 H new ATOM 0 HA TRP A 519 -3.985 -9.839 14.742 1.00 0.00 H new ATOM 0 HB2 TRP A 519 -6.871 -9.953 15.502 1.00 0.00 H new ATOM 0 HB3 TRP A 519 -6.156 -11.464 14.976 1.00 0.00 H new ATOM 0 HD1 TRP A 519 -6.337 -9.168 17.952 1.00 0.00 H new ATOM 0 HE1 TRP A 519 -4.877 -10.061 19.892 1.00 0.00 H new ATOM 0 HE3 TRP A 519 -3.795 -12.778 15.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 519 -2.914 -12.047 20.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 519 -2.135 -14.139 16.581 1.00 0.00 H new ATOM 0 HH2 TRP A 519 -1.703 -13.780 18.977 1.00 0.00 H new ATOM 1394 N PHE A 520 -4.082 -10.831 12.491 1.00 0.00 N ATOM 1395 CA PHE A 520 -4.092 -11.407 11.151 1.00 0.00 C ATOM 1396 C PHE A 520 -4.443 -12.891 11.200 1.00 0.00 C ATOM 1397 O PHE A 520 -4.284 -13.544 12.231 1.00 0.00 O ATOM 1398 CB PHE A 520 -2.730 -11.216 10.481 1.00 0.00 C ATOM 1399 CG PHE A 520 -2.743 -11.500 9.006 1.00 0.00 C ATOM 1400 CD1 PHE A 520 -2.651 -12.800 8.536 1.00 0.00 C ATOM 1401 CD2 PHE A 520 -2.848 -10.466 8.089 1.00 0.00 C ATOM 1402 CE1 PHE A 520 -2.663 -13.064 7.179 1.00 0.00 C ATOM 1403 CE2 PHE A 520 -2.861 -10.724 6.731 1.00 0.00 C ATOM 1404 CZ PHE A 520 -2.767 -12.025 6.276 1.00 0.00 C ATOM 0 H PHE A 520 -3.181 -10.884 12.966 1.00 0.00 H new ATOM 0 HA PHE A 520 -4.853 -10.890 10.566 1.00 0.00 H new ATOM 0 HB2 PHE A 520 -2.395 -10.192 10.643 1.00 0.00 H new ATOM 0 HB3 PHE A 520 -2.002 -11.869 10.962 1.00 0.00 H new ATOM 0 HD1 PHE A 520 -2.569 -13.617 9.238 1.00 0.00 H new ATOM 0 HD2 PHE A 520 -2.920 -9.447 8.439 1.00 0.00 H new ATOM 0 HE1 PHE A 520 -2.591 -14.082 6.826 1.00 0.00 H new ATOM 0 HE2 PHE A 520 -2.945 -9.910 6.027 1.00 0.00 H new ATOM 0 HZ PHE A 520 -2.775 -12.229 5.215 1.00 0.00 H new ATOM 1414 N ALA A 521 -4.923 -13.417 10.078 1.00 0.00 N ATOM 1415 CA ALA A 521 -5.296 -14.824 9.992 1.00 0.00 C ATOM 1416 C ALA A 521 -4.158 -15.723 10.462 1.00 0.00 C ATOM 1417 O ALA A 521 -3.364 -16.207 9.657 1.00 0.00 O ATOM 1418 CB ALA A 521 -5.697 -15.177 8.567 1.00 0.00 C ATOM 0 H ALA A 521 -5.063 -12.890 9.216 1.00 0.00 H new ATOM 0 HA ALA A 521 -6.149 -14.990 10.649 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -5.973 -16.230 8.517 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -6.547 -14.564 8.266 1.00 0.00 H new ATOM 0 HB3 ALA A 521 -4.859 -14.989 7.896 1.00 0.00 H new ATOM 1424 N GLY A 522 -4.085 -15.942 11.771 1.00 0.00 N ATOM 1425 CA GLY A 522 -3.040 -16.783 12.326 1.00 0.00 C ATOM 1426 C GLY A 522 -1.739 -16.032 12.530 1.00 0.00 C ATOM 1427 O GLY A 522 -0.694 -16.639 12.763 1.00 0.00 O ATOM 0 H GLY A 522 -4.731 -15.552 12.457 1.00 0.00 H new ATOM 0 HA2 GLY A 522 -3.374 -17.191 13.280 1.00 0.00 H new ATOM 0 HA3 GLY A 522 -2.867 -17.629 11.661 1.00 0.00 H new ATOM 1431 N ARG A 523 -1.802 -14.707 12.441 1.00 0.00 N ATOM 1432 CA ARG A 523 -0.620 -13.872 12.615 1.00 0.00 C ATOM 1433 C ARG A 523 -0.979 -12.556 13.298 1.00 0.00 C ATOM 1434 O ARG A 523 -2.154 -12.240 13.483 1.00 0.00 O ATOM 1435 CB ARG A 523 0.037 -13.594 11.262 1.00 0.00 C ATOM 1436 CG ARG A 523 0.848 -14.762 10.726 1.00 0.00 C ATOM 1437 CD ARG A 523 0.912 -14.746 9.207 1.00 0.00 C ATOM 1438 NE ARG A 523 -0.270 -15.356 8.603 1.00 0.00 N ATOM 1439 CZ ARG A 523 -0.456 -16.668 8.515 1.00 0.00 C ATOM 1440 NH1 ARG A 523 0.457 -17.504 8.991 1.00 0.00 N ATOM 1441 NH2 ARG A 523 -1.558 -17.147 7.952 1.00 0.00 N ATOM 0 H ARG A 523 -2.660 -14.189 12.249 1.00 0.00 H new ATOM 0 HA ARG A 523 0.084 -14.410 13.250 1.00 0.00 H new ATOM 0 HB2 ARG A 523 -0.737 -13.338 10.538 1.00 0.00 H new ATOM 0 HB3 ARG A 523 0.687 -12.724 11.355 1.00 0.00 H new ATOM 0 HG2 ARG A 523 1.858 -14.723 11.134 1.00 0.00 H new ATOM 0 HG3 ARG A 523 0.404 -15.699 11.063 1.00 0.00 H new ATOM 0 HD2 ARG A 523 1.007 -13.717 8.859 1.00 0.00 H new ATOM 0 HD3 ARG A 523 1.804 -15.278 8.876 1.00 0.00 H new ATOM 0 HE ARG A 523 -0.992 -14.741 8.228 1.00 0.00 H new ATOM 0 HH11 ARG A 523 1.305 -17.140 9.426 1.00 0.00 H new ATOM 0 HH12 ARG A 523 0.312 -18.511 8.922 1.00 0.00 H new ATOM 0 HH21 ARG A 523 -2.263 -16.507 7.586 1.00 0.00 H new ATOM 0 HH22 ARG A 523 -1.700 -18.155 7.885 1.00 0.00 H new ATOM 1455 N LYS A 524 0.042 -11.793 13.673 1.00 0.00 N ATOM 1456 CA LYS A 524 -0.164 -10.510 14.336 1.00 0.00 C ATOM 1457 C LYS A 524 0.298 -9.359 13.449 1.00 0.00 C ATOM 1458 O LYS A 524 1.288 -9.477 12.727 1.00 0.00 O ATOM 1459 CB LYS A 524 0.587 -10.475 15.669 1.00 0.00 C ATOM 1460 CG LYS A 524 0.270 -9.253 16.514 1.00 0.00 C ATOM 1461 CD LYS A 524 -0.981 -9.463 17.350 1.00 0.00 C ATOM 1462 CE LYS A 524 -1.099 -8.416 18.448 1.00 0.00 C ATOM 1463 NZ LYS A 524 -0.566 -7.095 18.014 1.00 0.00 N ATOM 0 H LYS A 524 1.021 -12.041 13.529 1.00 0.00 H new ATOM 0 HA LYS A 524 -1.231 -10.394 14.525 1.00 0.00 H new ATOM 0 HB2 LYS A 524 0.343 -11.373 16.237 1.00 0.00 H new ATOM 0 HB3 LYS A 524 1.659 -10.503 15.473 1.00 0.00 H new ATOM 0 HG2 LYS A 524 1.113 -9.033 17.168 1.00 0.00 H new ATOM 0 HG3 LYS A 524 0.135 -8.387 15.866 1.00 0.00 H new ATOM 0 HD2 LYS A 524 -1.861 -9.419 16.708 1.00 0.00 H new ATOM 0 HD3 LYS A 524 -0.960 -10.458 17.795 1.00 0.00 H new ATOM 0 HE2 LYS A 524 -2.145 -8.309 18.737 1.00 0.00 H new ATOM 0 HE3 LYS A 524 -0.557 -8.754 19.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 524 -0.873 -6.360 18.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 524 0.473 -7.131 17.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 524 -0.926 -6.870 17.064 1.00 0.00 H new ATOM 1477 N VAL A 525 -0.423 -8.244 13.510 1.00 0.00 N ATOM 1478 CA VAL A 525 -0.085 -7.070 12.714 1.00 0.00 C ATOM 1479 C VAL A 525 0.462 -5.950 13.592 1.00 0.00 C ATOM 1480 O VAL A 525 0.194 -5.900 14.793 1.00 0.00 O ATOM 1481 CB VAL A 525 -1.308 -6.547 11.937 1.00 0.00 C ATOM 1482 CG1 VAL A 525 -0.888 -5.484 10.933 1.00 0.00 C ATOM 1483 CG2 VAL A 525 -2.028 -7.694 11.243 1.00 0.00 C ATOM 0 H VAL A 525 -1.245 -8.129 14.103 1.00 0.00 H new ATOM 0 HA VAL A 525 0.682 -7.379 12.004 1.00 0.00 H new ATOM 0 HB VAL A 525 -1.999 -6.090 12.645 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -1.765 -5.126 10.394 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -0.421 -4.651 11.459 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -0.177 -5.912 10.226 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -2.889 -7.307 10.699 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -1.347 -8.182 10.545 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -2.364 -8.416 11.987 1.00 0.00 H new ATOM 1493 N VAL A 526 1.231 -5.052 12.985 1.00 0.00 N ATOM 1494 CA VAL A 526 1.816 -3.931 13.711 1.00 0.00 C ATOM 1495 C VAL A 526 1.853 -2.676 12.846 1.00 0.00 C ATOM 1496 O VAL A 526 2.679 -2.558 11.941 1.00 0.00 O ATOM 1497 CB VAL A 526 3.244 -4.254 14.188 1.00 0.00 C ATOM 1498 CG1 VAL A 526 3.857 -3.053 14.892 1.00 0.00 C ATOM 1499 CG2 VAL A 526 3.237 -5.471 15.101 1.00 0.00 C ATOM 0 H VAL A 526 1.463 -5.079 11.992 1.00 0.00 H new ATOM 0 HA VAL A 526 1.183 -3.752 14.580 1.00 0.00 H new ATOM 0 HB VAL A 526 3.856 -4.485 13.316 1.00 0.00 H new ATOM 0 HG11 VAL A 526 4.866 -3.301 15.222 1.00 0.00 H new ATOM 0 HG12 VAL A 526 3.897 -2.209 14.203 1.00 0.00 H new ATOM 0 HG13 VAL A 526 3.248 -2.788 15.756 1.00 0.00 H new ATOM 0 HG21 VAL A 526 4.254 -5.686 15.429 1.00 0.00 H new ATOM 0 HG22 VAL A 526 2.610 -5.270 15.970 1.00 0.00 H new ATOM 0 HG23 VAL A 526 2.842 -6.330 14.559 1.00 0.00 H new ATOM 1509 N ALA A 527 0.954 -1.740 13.131 1.00 0.00 N ATOM 1510 CA ALA A 527 0.885 -0.492 12.381 1.00 0.00 C ATOM 1511 C ALA A 527 1.611 0.630 13.115 1.00 0.00 C ATOM 1512 O ALA A 527 1.355 0.881 14.292 1.00 0.00 O ATOM 1513 CB ALA A 527 -0.565 -0.108 12.127 1.00 0.00 C ATOM 0 H ALA A 527 0.263 -1.822 13.877 1.00 0.00 H new ATOM 0 HA ALA A 527 1.382 -0.645 11.423 1.00 0.00 H new ATOM 0 HB1 ALA A 527 -0.601 0.826 11.566 1.00 0.00 H new ATOM 0 HB2 ALA A 527 -1.055 -0.895 11.553 1.00 0.00 H new ATOM 0 HB3 ALA A 527 -1.079 0.021 13.079 1.00 0.00 H new ATOM 1519 N GLU A 528 2.519 1.301 12.412 1.00 0.00 N ATOM 1520 CA GLU A 528 3.283 2.395 12.998 1.00 0.00 C ATOM 1521 C GLU A 528 3.123 3.672 12.178 1.00 0.00 C ATOM 1522 O GLU A 528 2.676 3.634 11.032 1.00 0.00 O ATOM 1523 CB GLU A 528 4.763 2.020 13.094 1.00 0.00 C ATOM 1524 CG GLU A 528 5.702 3.207 12.963 1.00 0.00 C ATOM 1525 CD GLU A 528 7.163 2.802 13.000 1.00 0.00 C ATOM 1526 OE1 GLU A 528 7.728 2.726 14.111 1.00 0.00 O ATOM 1527 OE2 GLU A 528 7.741 2.563 11.919 1.00 0.00 O ATOM 0 H GLU A 528 2.743 1.106 11.436 1.00 0.00 H new ATOM 0 HA GLU A 528 2.896 2.577 14.001 1.00 0.00 H new ATOM 0 HB2 GLU A 528 4.943 1.529 14.050 1.00 0.00 H new ATOM 0 HB3 GLU A 528 4.997 1.295 12.314 1.00 0.00 H new ATOM 0 HG2 GLU A 528 5.496 3.727 12.027 1.00 0.00 H new ATOM 0 HG3 GLU A 528 5.504 3.913 13.770 1.00 0.00 H new ATOM 1534 N VAL A 529 3.490 4.802 12.774 1.00 0.00 N ATOM 1535 CA VAL A 529 3.388 6.090 12.100 1.00 0.00 C ATOM 1536 C VAL A 529 4.669 6.415 11.340 1.00 0.00 C ATOM 1537 O VAL A 529 5.729 6.598 11.938 1.00 0.00 O ATOM 1538 CB VAL A 529 3.095 7.225 13.099 1.00 0.00 C ATOM 1539 CG1 VAL A 529 2.827 8.529 12.363 1.00 0.00 C ATOM 1540 CG2 VAL A 529 1.921 6.857 13.994 1.00 0.00 C ATOM 0 H VAL A 529 3.861 4.851 13.723 1.00 0.00 H new ATOM 0 HA VAL A 529 2.560 6.014 11.395 1.00 0.00 H new ATOM 0 HB VAL A 529 3.973 7.366 13.730 1.00 0.00 H new ATOM 0 HG11 VAL A 529 2.622 9.319 13.085 1.00 0.00 H new ATOM 0 HG12 VAL A 529 3.701 8.798 11.769 1.00 0.00 H new ATOM 0 HG13 VAL A 529 1.966 8.406 11.706 1.00 0.00 H new ATOM 0 HG21 VAL A 529 1.728 7.670 14.694 1.00 0.00 H new ATOM 0 HG22 VAL A 529 1.036 6.687 13.381 1.00 0.00 H new ATOM 0 HG23 VAL A 529 2.157 5.949 14.549 1.00 0.00 H new ATOM 1550 N TYR A 530 4.564 6.487 10.018 1.00 0.00 N ATOM 1551 CA TYR A 530 5.714 6.788 9.174 1.00 0.00 C ATOM 1552 C TYR A 530 6.073 8.269 9.252 1.00 0.00 C ATOM 1553 O TYR A 530 5.267 9.093 9.684 1.00 0.00 O ATOM 1554 CB TYR A 530 5.426 6.397 7.724 1.00 0.00 C ATOM 1555 CG TYR A 530 6.670 6.258 6.876 1.00 0.00 C ATOM 1556 CD1 TYR A 530 7.382 5.066 6.840 1.00 0.00 C ATOM 1557 CD2 TYR A 530 7.134 7.321 6.109 1.00 0.00 C ATOM 1558 CE1 TYR A 530 8.519 4.935 6.067 1.00 0.00 C ATOM 1559 CE2 TYR A 530 8.270 7.199 5.332 1.00 0.00 C ATOM 1560 CZ TYR A 530 8.959 6.004 5.315 1.00 0.00 C ATOM 1561 OH TYR A 530 10.091 5.878 4.542 1.00 0.00 O ATOM 0 H TYR A 530 3.693 6.341 9.507 1.00 0.00 H new ATOM 0 HA TYR A 530 6.562 6.207 9.538 1.00 0.00 H new ATOM 0 HB2 TYR A 530 4.881 5.453 7.712 1.00 0.00 H new ATOM 0 HB3 TYR A 530 4.774 7.147 7.277 1.00 0.00 H new ATOM 0 HD1 TYR A 530 7.040 4.226 7.427 1.00 0.00 H new ATOM 0 HD2 TYR A 530 6.597 8.258 6.121 1.00 0.00 H new ATOM 0 HE1 TYR A 530 9.060 4.001 6.052 1.00 0.00 H new ATOM 0 HE2 TYR A 530 8.616 8.034 4.741 1.00 0.00 H new ATOM 0 HH TYR A 530 10.263 6.722 4.074 1.00 0.00 H new