USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=15 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 80:sc= 0.701 USER MOD Set 1.2: A 508 THR OG1 : rot -113:sc= -1.63! USER MOD Single : A 444 SER OG : rot 43:sc= 0.512 USER MOD Single : A 447 MET CE :methyl 165:sc= -0.625 (180deg=-1.47) USER MOD Single : A 451 ASN : amide:sc= 0.551 K(o=0.55,f=-0.23) USER MOD Single : A 452 MET CE :methyl -130:sc= -0.314 (180deg=-1.77!) USER MOD Single : A 456 LYS NZ :NH3+ 162:sc= -0.0169 (180deg=-0.229) USER MOD Single : A 467 THR OG1 : rot 72:sc= 0.835 USER MOD Single : A 470 CYS SG : rot 69:sc= 0.0165 USER MOD Single : A 472 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0229) USER MOD Single : A 477 ASN : amide:sc= -1.53 K(o=-1.5,f=-5.6!) USER MOD Single : A 482 TYR OH : rot 180:sc= 0 USER MOD Single : A 483 GLN :FLIP amide:sc= -0.0528 F(o=-1.8,f=-0.053) USER MOD Single : A 485 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 497 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 503 SER OG : rot 180:sc= 0 USER MOD Single : A 506 SER OG : rot 180:sc= 0 USER MOD Single : A 509 HIS : no HD1:sc= -0.0989 X(o=-0.099,f=0.0099) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 513 GLN : amide:sc= -0.0438 X(o=-0.044,f=0) USER MOD Single : A 516 ASN : amide:sc= -1.46 K(o=-1.5,f=-2.8!) USER MOD Single : A 524 LYS NZ :NH3+ -167:sc= 2.75 (180deg=2.52) USER MOD Single : A 530 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 204 N SER A 444 0.961 13.750 10.069 1.00 0.00 N ATOM 205 CA SER A 444 1.364 12.469 9.500 1.00 0.00 C ATOM 206 C SER A 444 0.150 11.689 9.004 1.00 0.00 C ATOM 207 O SER A 444 -0.663 11.211 9.796 1.00 0.00 O ATOM 208 CB SER A 444 2.126 11.643 10.537 1.00 0.00 C ATOM 209 OG SER A 444 1.294 11.312 11.636 1.00 0.00 O ATOM 0 HA SER A 444 2.019 12.667 8.651 1.00 0.00 H new ATOM 0 HB2 SER A 444 2.503 10.731 10.074 1.00 0.00 H new ATOM 0 HB3 SER A 444 2.992 12.204 10.888 1.00 0.00 H new ATOM 0 HG SER A 444 0.411 11.042 11.308 1.00 0.00 H new ATOM 215 N THR A 445 0.033 11.564 7.685 1.00 0.00 N ATOM 216 CA THR A 445 -1.082 10.844 7.082 1.00 0.00 C ATOM 217 C THR A 445 -0.610 9.551 6.428 1.00 0.00 C ATOM 218 O THR A 445 -1.347 8.924 5.665 1.00 0.00 O ATOM 219 CB THR A 445 -1.802 11.706 6.028 1.00 0.00 C ATOM 220 OG1 THR A 445 -2.812 10.932 5.369 1.00 0.00 O ATOM 221 CG2 THR A 445 -0.816 12.242 5.000 1.00 0.00 C ATOM 0 H THR A 445 0.697 11.952 7.015 1.00 0.00 H new ATOM 0 HA THR A 445 -1.779 10.608 7.886 1.00 0.00 H new ATOM 0 HB THR A 445 -2.266 12.551 6.538 1.00 0.00 H new ATOM 0 HG1 THR A 445 -3.610 10.886 5.936 1.00 0.00 H new ATOM 0 HG21 THR A 445 -1.348 12.848 4.266 1.00 0.00 H new ATOM 0 HG22 THR A 445 -0.066 12.854 5.500 1.00 0.00 H new ATOM 0 HG23 THR A 445 -0.327 11.408 4.496 1.00 0.00 H new ATOM 229 N VAL A 446 0.622 9.154 6.731 1.00 0.00 N ATOM 230 CA VAL A 446 1.191 7.933 6.174 1.00 0.00 C ATOM 231 C VAL A 446 1.361 6.865 7.249 1.00 0.00 C ATOM 232 O VAL A 446 1.930 7.123 8.309 1.00 0.00 O ATOM 233 CB VAL A 446 2.555 8.201 5.512 1.00 0.00 C ATOM 234 CG1 VAL A 446 3.082 6.939 4.844 1.00 0.00 C ATOM 235 CG2 VAL A 446 2.446 9.339 4.508 1.00 0.00 C ATOM 0 H VAL A 446 1.245 9.661 7.360 1.00 0.00 H new ATOM 0 HA VAL A 446 0.492 7.575 5.418 1.00 0.00 H new ATOM 0 HB VAL A 446 3.263 8.497 6.286 1.00 0.00 H new ATOM 0 HG11 VAL A 446 4.047 7.148 4.382 1.00 0.00 H new ATOM 0 HG12 VAL A 446 3.200 6.154 5.591 1.00 0.00 H new ATOM 0 HG13 VAL A 446 2.377 6.610 4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 446 3.419 9.515 4.050 1.00 0.00 H new ATOM 0 HG22 VAL A 446 1.724 9.075 3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 446 2.117 10.244 5.018 1.00 0.00 H new ATOM 245 N MET A 447 0.864 5.665 6.968 1.00 0.00 N ATOM 246 CA MET A 447 0.963 4.557 7.911 1.00 0.00 C ATOM 247 C MET A 447 1.713 3.382 7.292 1.00 0.00 C ATOM 248 O MET A 447 1.521 3.057 6.120 1.00 0.00 O ATOM 249 CB MET A 447 -0.432 4.111 8.353 1.00 0.00 C ATOM 250 CG MET A 447 -0.464 2.706 8.934 1.00 0.00 C ATOM 251 SD MET A 447 -2.142 2.111 9.219 1.00 0.00 S ATOM 252 CE MET A 447 -2.714 1.891 7.536 1.00 0.00 C ATOM 0 H MET A 447 0.389 5.435 6.095 1.00 0.00 H new ATOM 0 HA MET A 447 1.520 4.902 8.782 1.00 0.00 H new ATOM 0 HB2 MET A 447 -0.810 4.812 9.097 1.00 0.00 H new ATOM 0 HB3 MET A 447 -1.107 4.158 7.499 1.00 0.00 H new ATOM 0 HG2 MET A 447 0.049 2.024 8.255 1.00 0.00 H new ATOM 0 HG3 MET A 447 0.087 2.693 9.875 1.00 0.00 H new ATOM 0 HE1 MET A 447 -3.621 1.286 7.536 1.00 0.00 H new ATOM 0 HE2 MET A 447 -2.927 2.864 7.094 1.00 0.00 H new ATOM 0 HE3 MET A 447 -1.943 1.389 6.952 1.00 0.00 H new ATOM 262 N VAL A 448 2.570 2.748 8.087 1.00 0.00 N ATOM 263 CA VAL A 448 3.349 1.609 7.617 1.00 0.00 C ATOM 264 C VAL A 448 2.945 0.331 8.344 1.00 0.00 C ATOM 265 O VAL A 448 2.898 0.291 9.574 1.00 0.00 O ATOM 266 CB VAL A 448 4.858 1.842 7.812 1.00 0.00 C ATOM 267 CG1 VAL A 448 5.178 2.071 9.282 1.00 0.00 C ATOM 268 CG2 VAL A 448 5.654 0.669 7.261 1.00 0.00 C ATOM 0 H VAL A 448 2.742 3.004 9.059 1.00 0.00 H new ATOM 0 HA VAL A 448 3.141 1.500 6.553 1.00 0.00 H new ATOM 0 HB VAL A 448 5.144 2.737 7.259 1.00 0.00 H new ATOM 0 HG11 VAL A 448 6.249 2.234 9.400 1.00 0.00 H new ATOM 0 HG12 VAL A 448 4.636 2.946 9.640 1.00 0.00 H new ATOM 0 HG13 VAL A 448 4.878 1.197 9.860 1.00 0.00 H new ATOM 0 HG21 VAL A 448 6.719 0.851 7.407 1.00 0.00 H new ATOM 0 HG22 VAL A 448 5.367 -0.243 7.784 1.00 0.00 H new ATOM 0 HG23 VAL A 448 5.448 0.558 6.196 1.00 0.00 H new ATOM 278 N LEU A 449 2.656 -0.714 7.575 1.00 0.00 N ATOM 279 CA LEU A 449 2.256 -1.996 8.146 1.00 0.00 C ATOM 280 C LEU A 449 3.409 -2.994 8.102 1.00 0.00 C ATOM 281 O LEU A 449 4.101 -3.115 7.091 1.00 0.00 O ATOM 282 CB LEU A 449 1.051 -2.559 7.391 1.00 0.00 C ATOM 283 CG LEU A 449 -0.177 -1.650 7.313 1.00 0.00 C ATOM 284 CD1 LEU A 449 -1.396 -2.438 6.859 1.00 0.00 C ATOM 285 CD2 LEU A 449 -0.438 -0.990 8.660 1.00 0.00 C ATOM 0 H LEU A 449 2.691 -0.699 6.556 1.00 0.00 H new ATOM 0 HA LEU A 449 1.980 -1.832 9.188 1.00 0.00 H new ATOM 0 HB2 LEU A 449 1.364 -2.801 6.375 1.00 0.00 H new ATOM 0 HB3 LEU A 449 0.756 -3.495 7.865 1.00 0.00 H new ATOM 0 HG LEU A 449 0.019 -0.868 6.579 1.00 0.00 H new ATOM 0 HD11 LEU A 449 -2.260 -1.775 6.809 1.00 0.00 H new ATOM 0 HD12 LEU A 449 -1.208 -2.863 5.873 1.00 0.00 H new ATOM 0 HD13 LEU A 449 -1.595 -3.241 7.569 1.00 0.00 H new ATOM 0 HD21 LEU A 449 -1.315 -0.347 8.586 1.00 0.00 H new ATOM 0 HD22 LEU A 449 -0.613 -1.758 9.414 1.00 0.00 H new ATOM 0 HD23 LEU A 449 0.427 -0.392 8.946 1.00 0.00 H new ATOM 297 N ARG A 450 3.609 -3.707 9.206 1.00 0.00 N ATOM 298 CA ARG A 450 4.677 -4.696 9.293 1.00 0.00 C ATOM 299 C ARG A 450 4.145 -6.027 9.816 1.00 0.00 C ATOM 300 O ARG A 450 2.973 -6.140 10.175 1.00 0.00 O ATOM 301 CB ARG A 450 5.797 -4.188 10.204 1.00 0.00 C ATOM 302 CG ARG A 450 6.392 -2.863 9.757 1.00 0.00 C ATOM 303 CD ARG A 450 7.242 -2.237 10.852 1.00 0.00 C ATOM 304 NE ARG A 450 8.422 -3.043 11.156 1.00 0.00 N ATOM 305 CZ ARG A 450 9.270 -2.762 12.140 1.00 0.00 C ATOM 306 NH1 ARG A 450 9.069 -1.701 12.909 1.00 0.00 N ATOM 307 NH2 ARG A 450 10.321 -3.543 12.355 1.00 0.00 N ATOM 0 H ARG A 450 3.046 -3.618 10.052 1.00 0.00 H new ATOM 0 HA ARG A 450 5.076 -4.853 8.291 1.00 0.00 H new ATOM 0 HB2 ARG A 450 5.409 -4.079 11.217 1.00 0.00 H new ATOM 0 HB3 ARG A 450 6.588 -4.937 10.245 1.00 0.00 H new ATOM 0 HG2 ARG A 450 7.001 -3.018 8.866 1.00 0.00 H new ATOM 0 HG3 ARG A 450 5.591 -2.178 9.480 1.00 0.00 H new ATOM 0 HD2 ARG A 450 7.554 -1.239 10.543 1.00 0.00 H new ATOM 0 HD3 ARG A 450 6.642 -2.118 11.754 1.00 0.00 H new ATOM 0 HE ARG A 450 8.605 -3.866 10.582 1.00 0.00 H new ATOM 0 HH11 ARG A 450 8.262 -1.098 12.746 1.00 0.00 H new ATOM 0 HH12 ARG A 450 9.721 -1.487 13.664 1.00 0.00 H new ATOM 0 HH21 ARG A 450 10.479 -4.360 11.765 1.00 0.00 H new ATOM 0 HH22 ARG A 450 10.971 -3.326 13.110 1.00 0.00 H new ATOM 321 N ASN A 451 5.014 -7.031 9.856 1.00 0.00 N ATOM 322 CA ASN A 451 4.631 -8.355 10.334 1.00 0.00 C ATOM 323 C ASN A 451 3.212 -8.702 9.896 1.00 0.00 C ATOM 324 O ASN A 451 2.423 -9.233 10.677 1.00 0.00 O ATOM 325 CB ASN A 451 4.736 -8.419 11.859 1.00 0.00 C ATOM 326 CG ASN A 451 5.067 -9.812 12.358 1.00 0.00 C ATOM 327 OD1 ASN A 451 6.218 -10.112 12.677 1.00 0.00 O ATOM 328 ND2 ASN A 451 4.057 -10.672 12.426 1.00 0.00 N ATOM 0 H ASN A 451 5.988 -6.954 9.563 1.00 0.00 H new ATOM 0 HA ASN A 451 5.315 -9.083 9.898 1.00 0.00 H new ATOM 0 HB2 ASN A 451 5.504 -7.723 12.197 1.00 0.00 H new ATOM 0 HB3 ASN A 451 3.794 -8.093 12.299 1.00 0.00 H new ATOM 0 HD21 ASN A 451 4.219 -11.624 12.753 1.00 0.00 H new ATOM 0 HD22 ASN A 451 3.119 -10.380 12.151 1.00 0.00 H new ATOM 335 N MET A 452 2.895 -8.398 8.641 1.00 0.00 N ATOM 336 CA MET A 452 1.571 -8.680 8.099 1.00 0.00 C ATOM 337 C MET A 452 1.586 -9.958 7.266 1.00 0.00 C ATOM 338 O MET A 452 0.949 -10.950 7.621 1.00 0.00 O ATOM 339 CB MET A 452 1.086 -7.507 7.245 1.00 0.00 C ATOM 340 CG MET A 452 -0.369 -7.624 6.821 1.00 0.00 C ATOM 341 SD MET A 452 -1.026 -6.081 6.158 1.00 0.00 S ATOM 342 CE MET A 452 -1.499 -6.595 4.509 1.00 0.00 C ATOM 0 H MET A 452 3.536 -7.957 7.982 1.00 0.00 H new ATOM 0 HA MET A 452 0.885 -8.820 8.935 1.00 0.00 H new ATOM 0 HB2 MET A 452 1.219 -6.581 7.805 1.00 0.00 H new ATOM 0 HB3 MET A 452 1.711 -7.434 6.355 1.00 0.00 H new ATOM 0 HG2 MET A 452 -0.462 -8.407 6.068 1.00 0.00 H new ATOM 0 HG3 MET A 452 -0.969 -7.932 7.677 1.00 0.00 H new ATOM 0 HE1 MET A 452 -1.090 -5.896 3.779 1.00 0.00 H new ATOM 0 HE2 MET A 452 -1.109 -7.594 4.313 1.00 0.00 H new ATOM 0 HE3 MET A 452 -2.586 -6.608 4.430 1.00 0.00 H new ATOM 352 N VAL A 453 2.316 -9.927 6.155 1.00 0.00 N ATOM 353 CA VAL A 453 2.413 -11.083 5.272 1.00 0.00 C ATOM 354 C VAL A 453 3.832 -11.248 4.738 1.00 0.00 C ATOM 355 O VAL A 453 4.452 -10.285 4.287 1.00 0.00 O ATOM 356 CB VAL A 453 1.440 -10.966 4.084 1.00 0.00 C ATOM 357 CG1 VAL A 453 0.001 -11.099 4.558 1.00 0.00 C ATOM 358 CG2 VAL A 453 1.649 -9.649 3.352 1.00 0.00 C ATOM 0 H VAL A 453 2.849 -9.114 5.846 1.00 0.00 H new ATOM 0 HA VAL A 453 2.146 -11.958 5.865 1.00 0.00 H new ATOM 0 HB VAL A 453 1.645 -11.779 3.387 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -0.672 -11.014 3.705 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -0.137 -12.070 5.034 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -0.220 -10.309 5.275 1.00 0.00 H new ATOM 0 HG21 VAL A 453 0.953 -9.583 2.516 1.00 0.00 H new ATOM 0 HG22 VAL A 453 1.472 -8.820 4.037 1.00 0.00 H new ATOM 0 HG23 VAL A 453 2.672 -9.599 2.978 1.00 0.00 H new ATOM 368 N ASP A 454 4.339 -12.474 4.791 1.00 0.00 N ATOM 369 CA ASP A 454 5.685 -12.767 4.311 1.00 0.00 C ATOM 370 C ASP A 454 5.854 -12.320 2.863 1.00 0.00 C ATOM 371 O ASP A 454 4.885 -12.141 2.125 1.00 0.00 O ATOM 372 CB ASP A 454 5.979 -14.263 4.434 1.00 0.00 C ATOM 373 CG ASP A 454 6.494 -14.641 5.809 1.00 0.00 C ATOM 374 OD1 ASP A 454 7.060 -13.762 6.492 1.00 0.00 O ATOM 375 OD2 ASP A 454 6.333 -15.816 6.201 1.00 0.00 O ATOM 0 H ASP A 454 3.839 -13.282 5.162 1.00 0.00 H new ATOM 0 HA ASP A 454 6.393 -12.214 4.928 1.00 0.00 H new ATOM 0 HB2 ASP A 454 5.071 -14.827 4.222 1.00 0.00 H new ATOM 0 HB3 ASP A 454 6.715 -14.549 3.682 1.00 0.00 H new ATOM 380 N PRO A 455 7.115 -12.132 2.445 1.00 0.00 N ATOM 381 CA PRO A 455 7.441 -11.703 1.082 1.00 0.00 C ATOM 382 C PRO A 455 7.155 -12.787 0.048 1.00 0.00 C ATOM 383 O PRO A 455 7.339 -12.580 -1.152 1.00 0.00 O ATOM 384 CB PRO A 455 8.942 -11.413 1.151 1.00 0.00 C ATOM 385 CG PRO A 455 9.440 -12.259 2.271 1.00 0.00 C ATOM 386 CD PRO A 455 8.319 -12.326 3.270 1.00 0.00 C ATOM 0 HA PRO A 455 6.841 -10.848 0.770 1.00 0.00 H new ATOM 0 HB2 PRO A 455 9.437 -11.665 0.214 1.00 0.00 H new ATOM 0 HB3 PRO A 455 9.133 -10.356 1.338 1.00 0.00 H new ATOM 0 HG2 PRO A 455 9.708 -13.255 1.918 1.00 0.00 H new ATOM 0 HG3 PRO A 455 10.336 -11.827 2.718 1.00 0.00 H new ATOM 0 HD2 PRO A 455 8.300 -13.284 3.789 1.00 0.00 H new ATOM 0 HD3 PRO A 455 8.413 -11.552 4.032 1.00 0.00 H new ATOM 394 N LYS A 456 6.703 -13.944 0.520 1.00 0.00 N ATOM 395 CA LYS A 456 6.390 -15.061 -0.363 1.00 0.00 C ATOM 396 C LYS A 456 4.935 -15.004 -0.817 1.00 0.00 C ATOM 397 O LYS A 456 4.613 -15.368 -1.948 1.00 0.00 O ATOM 398 CB LYS A 456 6.662 -16.390 0.346 1.00 0.00 C ATOM 399 CG LYS A 456 8.057 -16.488 0.940 1.00 0.00 C ATOM 400 CD LYS A 456 8.077 -17.375 2.173 1.00 0.00 C ATOM 401 CE LYS A 456 7.987 -18.847 1.802 1.00 0.00 C ATOM 402 NZ LYS A 456 9.224 -19.325 1.124 1.00 0.00 N ATOM 0 H LYS A 456 6.545 -14.132 1.510 1.00 0.00 H new ATOM 0 HA LYS A 456 7.030 -14.987 -1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 456 5.928 -16.526 1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 456 6.520 -17.206 -0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 456 8.744 -16.886 0.193 1.00 0.00 H new ATOM 0 HG3 LYS A 456 8.413 -15.492 1.202 1.00 0.00 H new ATOM 0 HD2 LYS A 456 8.993 -17.196 2.736 1.00 0.00 H new ATOM 0 HD3 LYS A 456 7.245 -17.112 2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 456 7.814 -19.438 2.701 1.00 0.00 H new ATOM 0 HE3 LYS A 456 7.130 -19.005 1.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 9.260 -20.364 1.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 9.219 -19.013 0.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 10.058 -18.933 1.606 1.00 0.00 H new ATOM 416 N ASP A 457 4.060 -14.544 0.071 1.00 0.00 N ATOM 417 CA ASP A 457 2.640 -14.437 -0.239 1.00 0.00 C ATOM 418 C ASP A 457 2.347 -13.152 -1.009 1.00 0.00 C ATOM 419 O ASP A 457 1.189 -12.769 -1.179 1.00 0.00 O ATOM 420 CB ASP A 457 1.810 -14.477 1.045 1.00 0.00 C ATOM 421 CG ASP A 457 1.694 -15.876 1.615 1.00 0.00 C ATOM 422 OD1 ASP A 457 0.748 -16.597 1.232 1.00 0.00 O ATOM 423 OD2 ASP A 457 2.549 -16.252 2.444 1.00 0.00 O ATOM 0 H ASP A 457 4.310 -14.239 1.012 1.00 0.00 H new ATOM 0 HA ASP A 457 2.366 -15.286 -0.865 1.00 0.00 H new ATOM 0 HB2 ASP A 457 2.264 -13.821 1.788 1.00 0.00 H new ATOM 0 HB3 ASP A 457 0.813 -14.087 0.842 1.00 0.00 H new ATOM 428 N ILE A 458 3.403 -12.491 -1.470 1.00 0.00 N ATOM 429 CA ILE A 458 3.259 -11.250 -2.221 1.00 0.00 C ATOM 430 C ILE A 458 2.715 -11.515 -3.621 1.00 0.00 C ATOM 431 O ILE A 458 3.416 -12.050 -4.479 1.00 0.00 O ATOM 432 CB ILE A 458 4.601 -10.503 -2.337 1.00 0.00 C ATOM 433 CG1 ILE A 458 5.114 -10.114 -0.949 1.00 0.00 C ATOM 434 CG2 ILE A 458 4.447 -9.271 -3.215 1.00 0.00 C ATOM 435 CD1 ILE A 458 4.185 -9.184 -0.200 1.00 0.00 C ATOM 0 H ILE A 458 4.368 -12.794 -1.337 1.00 0.00 H new ATOM 0 HA ILE A 458 2.553 -10.628 -1.671 1.00 0.00 H new ATOM 0 HB ILE A 458 5.331 -11.167 -2.801 1.00 0.00 H new ATOM 0 HG12 ILE A 458 5.263 -11.018 -0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 458 6.088 -9.636 -1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 458 5.404 -8.754 -3.287 1.00 0.00 H new ATOM 0 HG22 ILE A 458 4.121 -9.572 -4.211 1.00 0.00 H new ATOM 0 HG23 ILE A 458 3.705 -8.603 -2.777 1.00 0.00 H new ATOM 0 HD11 ILE A 458 4.612 -8.951 0.775 1.00 0.00 H new ATOM 0 HD12 ILE A 458 4.055 -8.263 -0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 458 3.217 -9.667 -0.066 1.00 0.00 H new ATOM 447 N ASP A 459 1.462 -11.134 -3.844 1.00 0.00 N ATOM 448 CA ASP A 459 0.824 -11.327 -5.140 1.00 0.00 C ATOM 449 C ASP A 459 0.099 -10.059 -5.583 1.00 0.00 C ATOM 450 O ASP A 459 -0.322 -9.252 -4.755 1.00 0.00 O ATOM 451 CB ASP A 459 -0.160 -12.497 -5.080 1.00 0.00 C ATOM 452 CG ASP A 459 0.391 -13.676 -4.303 1.00 0.00 C ATOM 453 OD1 ASP A 459 1.550 -14.066 -4.558 1.00 0.00 O ATOM 454 OD2 ASP A 459 -0.337 -14.209 -3.439 1.00 0.00 O ATOM 0 H ASP A 459 0.868 -10.690 -3.144 1.00 0.00 H new ATOM 0 HA ASP A 459 1.602 -11.554 -5.869 1.00 0.00 H new ATOM 0 HB2 ASP A 459 -1.089 -12.163 -4.618 1.00 0.00 H new ATOM 0 HB3 ASP A 459 -0.404 -12.815 -6.094 1.00 0.00 H new ATOM 459 N ASP A 460 -0.041 -9.892 -6.894 1.00 0.00 N ATOM 460 CA ASP A 460 -0.715 -8.723 -7.447 1.00 0.00 C ATOM 461 C ASP A 460 -2.024 -8.452 -6.714 1.00 0.00 C ATOM 462 O ASP A 460 -2.445 -7.303 -6.578 1.00 0.00 O ATOM 463 CB ASP A 460 -0.983 -8.922 -8.940 1.00 0.00 C ATOM 464 CG ASP A 460 -2.151 -8.090 -9.433 1.00 0.00 C ATOM 465 OD1 ASP A 460 -3.280 -8.301 -8.942 1.00 0.00 O ATOM 466 OD2 ASP A 460 -1.936 -7.229 -10.311 1.00 0.00 O ATOM 0 H ASP A 460 0.303 -10.551 -7.593 1.00 0.00 H new ATOM 0 HA ASP A 460 -0.061 -7.861 -7.314 1.00 0.00 H new ATOM 0 HB2 ASP A 460 -0.089 -8.659 -9.505 1.00 0.00 H new ATOM 0 HB3 ASP A 460 -1.184 -9.976 -9.133 1.00 0.00 H new ATOM 471 N ASP A 461 -2.664 -9.517 -6.244 1.00 0.00 N ATOM 472 CA ASP A 461 -3.926 -9.395 -5.524 1.00 0.00 C ATOM 473 C ASP A 461 -3.733 -8.642 -4.211 1.00 0.00 C ATOM 474 O ASP A 461 -4.532 -7.774 -3.857 1.00 0.00 O ATOM 475 CB ASP A 461 -4.518 -10.778 -5.250 1.00 0.00 C ATOM 476 CG ASP A 461 -5.428 -10.789 -4.037 1.00 0.00 C ATOM 477 OD1 ASP A 461 -6.522 -10.191 -4.111 1.00 0.00 O ATOM 478 OD2 ASP A 461 -5.046 -11.395 -3.014 1.00 0.00 O ATOM 0 H ASP A 461 -2.329 -10.475 -6.349 1.00 0.00 H new ATOM 0 HA ASP A 461 -4.618 -8.829 -6.148 1.00 0.00 H new ATOM 0 HB2 ASP A 461 -5.079 -11.110 -6.124 1.00 0.00 H new ATOM 0 HB3 ASP A 461 -3.709 -11.493 -5.100 1.00 0.00 H new ATOM 483 N LEU A 462 -2.668 -8.980 -3.493 1.00 0.00 N ATOM 484 CA LEU A 462 -2.369 -8.337 -2.218 1.00 0.00 C ATOM 485 C LEU A 462 -2.572 -6.828 -2.308 1.00 0.00 C ATOM 486 O LEU A 462 -3.400 -6.261 -1.597 1.00 0.00 O ATOM 487 CB LEU A 462 -0.932 -8.646 -1.793 1.00 0.00 C ATOM 488 CG LEU A 462 -0.577 -8.322 -0.341 1.00 0.00 C ATOM 489 CD1 LEU A 462 -1.285 -9.277 0.607 1.00 0.00 C ATOM 490 CD2 LEU A 462 0.929 -8.382 -0.135 1.00 0.00 C ATOM 0 H LEU A 462 -1.997 -9.696 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 462 -3.056 -8.733 -1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 462 -0.744 -9.706 -1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 462 -0.255 -8.093 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 462 -0.914 -7.309 -0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 462 -1.021 -9.031 1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 462 -2.363 -9.185 0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 462 -0.979 -10.300 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 462 1.164 -8.149 0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 462 1.289 -9.383 -0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 462 1.415 -7.657 -0.788 1.00 0.00 H new ATOM 502 N GLU A 463 -1.811 -6.186 -3.189 1.00 0.00 N ATOM 503 CA GLU A 463 -1.909 -4.743 -3.373 1.00 0.00 C ATOM 504 C GLU A 463 -3.362 -4.283 -3.301 1.00 0.00 C ATOM 505 O GLU A 463 -3.700 -3.372 -2.545 1.00 0.00 O ATOM 506 CB GLU A 463 -1.299 -4.334 -4.715 1.00 0.00 C ATOM 507 CG GLU A 463 -0.910 -2.867 -4.786 1.00 0.00 C ATOM 508 CD GLU A 463 -0.157 -2.524 -6.057 1.00 0.00 C ATOM 509 OE1 GLU A 463 -0.809 -2.374 -7.111 1.00 0.00 O ATOM 510 OE2 GLU A 463 1.085 -2.406 -5.997 1.00 0.00 O ATOM 0 H GLU A 463 -1.121 -6.642 -3.786 1.00 0.00 H new ATOM 0 HA GLU A 463 -1.353 -4.262 -2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 463 -0.416 -4.945 -4.904 1.00 0.00 H new ATOM 0 HB3 GLU A 463 -2.013 -4.551 -5.510 1.00 0.00 H new ATOM 0 HG2 GLU A 463 -1.809 -2.253 -4.724 1.00 0.00 H new ATOM 0 HG3 GLU A 463 -0.292 -2.617 -3.923 1.00 0.00 H new ATOM 517 N GLY A 464 -4.218 -4.919 -4.094 1.00 0.00 N ATOM 518 CA GLY A 464 -5.625 -4.562 -4.106 1.00 0.00 C ATOM 519 C GLY A 464 -6.305 -4.838 -2.780 1.00 0.00 C ATOM 520 O GLY A 464 -7.035 -3.993 -2.263 1.00 0.00 O ATOM 0 H GLY A 464 -3.963 -5.675 -4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 464 -5.726 -3.504 -4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 464 -6.131 -5.120 -4.894 1.00 0.00 H new ATOM 524 N GLU A 465 -6.066 -6.024 -2.230 1.00 0.00 N ATOM 525 CA GLU A 465 -6.664 -6.409 -0.956 1.00 0.00 C ATOM 526 C GLU A 465 -6.423 -5.337 0.103 1.00 0.00 C ATOM 527 O GLU A 465 -7.344 -4.933 0.814 1.00 0.00 O ATOM 528 CB GLU A 465 -6.092 -7.747 -0.483 1.00 0.00 C ATOM 529 CG GLU A 465 -6.695 -8.950 -1.190 1.00 0.00 C ATOM 530 CD GLU A 465 -8.164 -9.141 -0.867 1.00 0.00 C ATOM 531 OE1 GLU A 465 -8.476 -9.503 0.287 1.00 0.00 O ATOM 532 OE2 GLU A 465 -9.001 -8.928 -1.768 1.00 0.00 O ATOM 0 H GLU A 465 -5.463 -6.734 -2.645 1.00 0.00 H new ATOM 0 HA GLU A 465 -7.739 -6.514 -1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 465 -5.013 -7.747 -0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 465 -6.259 -7.845 0.590 1.00 0.00 H new ATOM 0 HG2 GLU A 465 -6.576 -8.831 -2.267 1.00 0.00 H new ATOM 0 HG3 GLU A 465 -6.145 -9.847 -0.906 1.00 0.00 H new ATOM 539 N VAL A 466 -5.179 -4.882 0.204 1.00 0.00 N ATOM 540 CA VAL A 466 -4.816 -3.857 1.176 1.00 0.00 C ATOM 541 C VAL A 466 -5.547 -2.549 0.895 1.00 0.00 C ATOM 542 O VAL A 466 -6.081 -1.915 1.805 1.00 0.00 O ATOM 543 CB VAL A 466 -3.298 -3.594 1.174 1.00 0.00 C ATOM 544 CG1 VAL A 466 -2.939 -2.534 2.204 1.00 0.00 C ATOM 545 CG2 VAL A 466 -2.534 -4.884 1.436 1.00 0.00 C ATOM 0 H VAL A 466 -4.405 -5.207 -0.375 1.00 0.00 H new ATOM 0 HA VAL A 466 -5.112 -4.232 2.156 1.00 0.00 H new ATOM 0 HB VAL A 466 -3.012 -3.222 0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -1.863 -2.361 2.188 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -3.459 -1.606 1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -3.238 -2.874 3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -1.463 -4.680 1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -2.822 -5.287 2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -2.769 -5.610 0.658 1.00 0.00 H new ATOM 555 N THR A 467 -5.569 -2.151 -0.373 1.00 0.00 N ATOM 556 CA THR A 467 -6.235 -0.918 -0.776 1.00 0.00 C ATOM 557 C THR A 467 -7.695 -0.913 -0.337 1.00 0.00 C ATOM 558 O THR A 467 -8.193 0.086 0.179 1.00 0.00 O ATOM 559 CB THR A 467 -6.168 -0.715 -2.301 1.00 0.00 C ATOM 560 OG1 THR A 467 -4.804 -0.718 -2.736 1.00 0.00 O ATOM 561 CG2 THR A 467 -6.830 0.594 -2.703 1.00 0.00 C ATOM 0 H THR A 467 -5.133 -2.665 -1.139 1.00 0.00 H new ATOM 0 HA THR A 467 -5.708 -0.100 -0.285 1.00 0.00 H new ATOM 0 HB THR A 467 -6.703 -1.536 -2.778 1.00 0.00 H new ATOM 0 HG1 THR A 467 -4.445 -1.628 -2.680 1.00 0.00 H new ATOM 0 HG21 THR A 467 -6.770 0.715 -3.785 1.00 0.00 H new ATOM 0 HG22 THR A 467 -7.876 0.582 -2.397 1.00 0.00 H new ATOM 0 HG23 THR A 467 -6.319 1.425 -2.216 1.00 0.00 H new ATOM 569 N GLU A 468 -8.375 -2.036 -0.547 1.00 0.00 N ATOM 570 CA GLU A 468 -9.778 -2.159 -0.172 1.00 0.00 C ATOM 571 C GLU A 468 -9.943 -2.117 1.344 1.00 0.00 C ATOM 572 O GLU A 468 -10.743 -1.345 1.870 1.00 0.00 O ATOM 573 CB GLU A 468 -10.364 -3.461 -0.724 1.00 0.00 C ATOM 574 CG GLU A 468 -10.366 -3.533 -2.242 1.00 0.00 C ATOM 575 CD GLU A 468 -11.121 -4.738 -2.768 1.00 0.00 C ATOM 576 OE1 GLU A 468 -11.984 -5.264 -2.034 1.00 0.00 O ATOM 577 OE2 GLU A 468 -10.849 -5.156 -3.913 1.00 0.00 O ATOM 0 H GLU A 468 -7.977 -2.872 -0.974 1.00 0.00 H new ATOM 0 HA GLU A 468 -10.317 -1.315 -0.602 1.00 0.00 H new ATOM 0 HB2 GLU A 468 -9.794 -4.302 -0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 468 -11.386 -3.571 -0.362 1.00 0.00 H new ATOM 0 HG2 GLU A 468 -10.814 -2.624 -2.644 1.00 0.00 H new ATOM 0 HG3 GLU A 468 -9.338 -3.568 -2.602 1.00 0.00 H new ATOM 584 N GLU A 469 -9.180 -2.954 2.040 1.00 0.00 N ATOM 585 CA GLU A 469 -9.242 -3.014 3.496 1.00 0.00 C ATOM 586 C GLU A 469 -8.976 -1.641 4.108 1.00 0.00 C ATOM 587 O GLU A 469 -9.505 -1.310 5.169 1.00 0.00 O ATOM 588 CB GLU A 469 -8.229 -4.028 4.031 1.00 0.00 C ATOM 589 CG GLU A 469 -8.677 -5.472 3.880 1.00 0.00 C ATOM 590 CD GLU A 469 -7.680 -6.456 4.461 1.00 0.00 C ATOM 591 OE1 GLU A 469 -7.000 -6.100 5.446 1.00 0.00 O ATOM 592 OE2 GLU A 469 -7.579 -7.582 3.929 1.00 0.00 O ATOM 0 H GLU A 469 -8.512 -3.600 1.619 1.00 0.00 H new ATOM 0 HA GLU A 469 -10.246 -3.331 3.779 1.00 0.00 H new ATOM 0 HB2 GLU A 469 -7.282 -3.893 3.508 1.00 0.00 H new ATOM 0 HB3 GLU A 469 -8.043 -3.822 5.085 1.00 0.00 H new ATOM 0 HG2 GLU A 469 -9.640 -5.603 4.373 1.00 0.00 H new ATOM 0 HG3 GLU A 469 -8.827 -5.693 2.823 1.00 0.00 H new ATOM 599 N CYS A 470 -8.152 -0.848 3.432 1.00 0.00 N ATOM 600 CA CYS A 470 -7.814 0.488 3.909 1.00 0.00 C ATOM 601 C CYS A 470 -8.955 1.465 3.645 1.00 0.00 C ATOM 602 O CYS A 470 -9.124 2.448 4.365 1.00 0.00 O ATOM 603 CB CYS A 470 -6.535 0.984 3.234 1.00 0.00 C ATOM 604 SG CYS A 470 -5.059 0.028 3.654 1.00 0.00 S ATOM 0 H CYS A 470 -7.706 -1.107 2.552 1.00 0.00 H new ATOM 0 HA CYS A 470 -7.650 0.432 4.985 1.00 0.00 H new ATOM 0 HB2 CYS A 470 -6.675 0.960 2.153 1.00 0.00 H new ATOM 0 HB3 CYS A 470 -6.371 2.025 3.511 1.00 0.00 H new ATOM 0 HG CYS A 470 -5.143 -1.155 3.122 1.00 0.00 H new ATOM 610 N GLY A 471 -9.736 1.187 2.605 1.00 0.00 N ATOM 611 CA GLY A 471 -10.850 2.052 2.262 1.00 0.00 C ATOM 612 C GLY A 471 -11.789 2.277 3.430 1.00 0.00 C ATOM 613 O GLY A 471 -12.351 3.362 3.585 1.00 0.00 O ATOM 0 H GLY A 471 -9.617 0.379 1.994 1.00 0.00 H new ATOM 0 HA2 GLY A 471 -10.467 3.013 1.917 1.00 0.00 H new ATOM 0 HA3 GLY A 471 -11.405 1.613 1.433 1.00 0.00 H new ATOM 617 N LYS A 472 -11.963 1.250 4.255 1.00 0.00 N ATOM 618 CA LYS A 472 -12.841 1.339 5.415 1.00 0.00 C ATOM 619 C LYS A 472 -12.475 2.539 6.283 1.00 0.00 C ATOM 620 O LYS A 472 -13.344 3.308 6.694 1.00 0.00 O ATOM 621 CB LYS A 472 -12.760 0.054 6.242 1.00 0.00 C ATOM 622 CG LYS A 472 -13.567 -1.095 5.662 1.00 0.00 C ATOM 623 CD LYS A 472 -12.911 -1.662 4.414 1.00 0.00 C ATOM 624 CE LYS A 472 -13.564 -2.968 3.986 1.00 0.00 C ATOM 625 NZ LYS A 472 -13.154 -4.104 4.857 1.00 0.00 N ATOM 0 H LYS A 472 -11.507 0.345 4.141 1.00 0.00 H new ATOM 0 HA LYS A 472 -13.862 1.469 5.057 1.00 0.00 H new ATOM 0 HB2 LYS A 472 -11.717 -0.251 6.323 1.00 0.00 H new ATOM 0 HB3 LYS A 472 -13.112 0.260 7.253 1.00 0.00 H new ATOM 0 HG2 LYS A 472 -13.671 -1.882 6.409 1.00 0.00 H new ATOM 0 HG3 LYS A 472 -14.572 -0.750 5.421 1.00 0.00 H new ATOM 0 HD2 LYS A 472 -12.980 -0.936 3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 472 -11.851 -1.829 4.603 1.00 0.00 H new ATOM 0 HE2 LYS A 472 -14.648 -2.859 4.017 1.00 0.00 H new ATOM 0 HE3 LYS A 472 -13.295 -3.187 2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 472 -13.523 -4.993 4.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 472 -12.116 -4.150 4.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 472 -13.536 -3.963 5.814 1.00 0.00 H new ATOM 639 N PHE A 473 -11.184 2.693 6.558 1.00 0.00 N ATOM 640 CA PHE A 473 -10.704 3.800 7.376 1.00 0.00 C ATOM 641 C PHE A 473 -11.097 5.141 6.764 1.00 0.00 C ATOM 642 O PHE A 473 -11.719 5.976 7.419 1.00 0.00 O ATOM 643 CB PHE A 473 -9.183 3.724 7.532 1.00 0.00 C ATOM 644 CG PHE A 473 -8.685 2.353 7.888 1.00 0.00 C ATOM 645 CD1 PHE A 473 -9.075 1.745 9.070 1.00 0.00 C ATOM 646 CD2 PHE A 473 -7.825 1.673 7.040 1.00 0.00 C ATOM 647 CE1 PHE A 473 -8.618 0.482 9.400 1.00 0.00 C ATOM 648 CE2 PHE A 473 -7.365 0.410 7.365 1.00 0.00 C ATOM 649 CZ PHE A 473 -7.761 -0.185 8.547 1.00 0.00 C ATOM 0 H PHE A 473 -10.452 2.065 6.226 1.00 0.00 H new ATOM 0 HA PHE A 473 -11.169 3.720 8.359 1.00 0.00 H new ATOM 0 HB2 PHE A 473 -8.714 4.042 6.601 1.00 0.00 H new ATOM 0 HB3 PHE A 473 -8.869 4.427 8.303 1.00 0.00 H new ATOM 0 HD1 PHE A 473 -9.744 2.263 9.742 1.00 0.00 H new ATOM 0 HD2 PHE A 473 -7.511 2.134 6.115 1.00 0.00 H new ATOM 0 HE1 PHE A 473 -8.931 0.018 10.324 1.00 0.00 H new ATOM 0 HE2 PHE A 473 -6.697 -0.111 6.695 1.00 0.00 H new ATOM 0 HZ PHE A 473 -7.401 -1.170 8.804 1.00 0.00 H new ATOM 659 N GLY A 474 -10.729 5.339 5.502 1.00 0.00 N ATOM 660 CA GLY A 474 -11.051 6.580 4.821 1.00 0.00 C ATOM 661 C GLY A 474 -10.782 6.511 3.331 1.00 0.00 C ATOM 662 O GLY A 474 -11.143 5.536 2.673 1.00 0.00 O ATOM 0 H GLY A 474 -10.214 4.662 4.939 1.00 0.00 H new ATOM 0 HA2 GLY A 474 -12.101 6.820 4.987 1.00 0.00 H new ATOM 0 HA3 GLY A 474 -10.467 7.391 5.255 1.00 0.00 H new ATOM 666 N ALA A 475 -10.147 7.549 2.797 1.00 0.00 N ATOM 667 CA ALA A 475 -9.829 7.602 1.376 1.00 0.00 C ATOM 668 C ALA A 475 -8.346 7.343 1.135 1.00 0.00 C ATOM 669 O ALA A 475 -7.497 8.160 1.491 1.00 0.00 O ATOM 670 CB ALA A 475 -10.233 8.948 0.794 1.00 0.00 C ATOM 0 H ALA A 475 -9.843 8.365 3.328 1.00 0.00 H new ATOM 0 HA ALA A 475 -10.394 6.817 0.873 1.00 0.00 H new ATOM 0 HB1 ALA A 475 -9.989 8.973 -0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 475 -11.305 9.093 0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 475 -9.694 9.743 1.309 1.00 0.00 H new ATOM 676 N VAL A 476 -8.040 6.201 0.528 1.00 0.00 N ATOM 677 CA VAL A 476 -6.658 5.835 0.239 1.00 0.00 C ATOM 678 C VAL A 476 -6.099 6.664 -0.912 1.00 0.00 C ATOM 679 O VAL A 476 -6.682 6.714 -1.995 1.00 0.00 O ATOM 680 CB VAL A 476 -6.536 4.340 -0.113 1.00 0.00 C ATOM 681 CG1 VAL A 476 -5.103 3.996 -0.490 1.00 0.00 C ATOM 682 CG2 VAL A 476 -7.012 3.480 1.047 1.00 0.00 C ATOM 0 H VAL A 476 -8.730 5.513 0.227 1.00 0.00 H new ATOM 0 HA VAL A 476 -6.081 6.037 1.142 1.00 0.00 H new ATOM 0 HB VAL A 476 -7.172 4.133 -0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.036 2.936 -0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -4.802 4.588 -1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -4.443 4.217 0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -6.919 2.427 0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -6.404 3.687 1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -8.055 3.708 1.265 1.00 0.00 H new ATOM 692 N ASN A 477 -4.965 7.314 -0.670 1.00 0.00 N ATOM 693 CA ASN A 477 -4.327 8.142 -1.687 1.00 0.00 C ATOM 694 C ASN A 477 -3.367 7.315 -2.537 1.00 0.00 C ATOM 695 O ASN A 477 -3.450 7.318 -3.766 1.00 0.00 O ATOM 696 CB ASN A 477 -3.575 9.302 -1.031 1.00 0.00 C ATOM 697 CG ASN A 477 -4.472 10.494 -0.763 1.00 0.00 C ATOM 698 OD1 ASN A 477 -5.547 10.358 -0.178 1.00 0.00 O ATOM 699 ND2 ASN A 477 -4.033 11.672 -1.192 1.00 0.00 N ATOM 0 H ASN A 477 -4.469 7.283 0.221 1.00 0.00 H new ATOM 0 HA ASN A 477 -5.106 8.543 -2.336 1.00 0.00 H new ATOM 0 HB2 ASN A 477 -3.136 8.963 -0.093 1.00 0.00 H new ATOM 0 HB3 ASN A 477 -2.751 9.608 -1.676 1.00 0.00 H new ATOM 0 HD21 ASN A 477 -4.593 12.511 -1.041 1.00 0.00 H new ATOM 0 HD22 ASN A 477 -3.136 11.738 -1.672 1.00 0.00 H new ATOM 706 N ARG A 478 -2.458 6.608 -1.875 1.00 0.00 N ATOM 707 CA ARG A 478 -1.482 5.777 -2.571 1.00 0.00 C ATOM 708 C ARG A 478 -0.953 4.677 -1.654 1.00 0.00 C ATOM 709 O ARG A 478 -1.227 4.670 -0.454 1.00 0.00 O ATOM 710 CB ARG A 478 -0.321 6.633 -3.079 1.00 0.00 C ATOM 711 CG ARG A 478 0.372 7.430 -1.986 1.00 0.00 C ATOM 712 CD ARG A 478 1.350 8.439 -2.568 1.00 0.00 C ATOM 713 NE ARG A 478 0.666 9.534 -3.251 1.00 0.00 N ATOM 714 CZ ARG A 478 1.272 10.649 -3.644 1.00 0.00 C ATOM 715 NH1 ARG A 478 2.569 10.815 -3.422 1.00 0.00 N ATOM 716 NH2 ARG A 478 0.582 11.599 -4.260 1.00 0.00 N ATOM 0 H ARG A 478 -2.376 6.593 -0.858 1.00 0.00 H new ATOM 0 HA ARG A 478 -1.980 5.311 -3.421 1.00 0.00 H new ATOM 0 HB2 ARG A 478 0.410 5.987 -3.565 1.00 0.00 H new ATOM 0 HB3 ARG A 478 -0.693 7.321 -3.838 1.00 0.00 H new ATOM 0 HG2 ARG A 478 -0.374 7.950 -1.384 1.00 0.00 H new ATOM 0 HG3 ARG A 478 0.902 6.750 -1.319 1.00 0.00 H new ATOM 0 HD2 ARG A 478 1.972 8.843 -1.769 1.00 0.00 H new ATOM 0 HD3 ARG A 478 2.017 7.935 -3.268 1.00 0.00 H new ATOM 0 HE ARG A 478 -0.332 9.437 -3.437 1.00 0.00 H new ATOM 0 HH11 ARG A 478 3.103 10.086 -2.949 1.00 0.00 H new ATOM 0 HH12 ARG A 478 3.033 11.672 -3.724 1.00 0.00 H new ATOM 0 HH21 ARG A 478 -0.416 11.474 -4.433 1.00 0.00 H new ATOM 0 HH22 ARG A 478 1.049 12.455 -4.561 1.00 0.00 H new ATOM 730 N VAL A 479 -0.195 3.749 -2.229 1.00 0.00 N ATOM 731 CA VAL A 479 0.373 2.644 -1.464 1.00 0.00 C ATOM 732 C VAL A 479 1.741 2.248 -2.006 1.00 0.00 C ATOM 733 O VAL A 479 1.961 2.236 -3.217 1.00 0.00 O ATOM 734 CB VAL A 479 -0.552 1.413 -1.486 1.00 0.00 C ATOM 735 CG1 VAL A 479 0.103 0.240 -0.773 1.00 0.00 C ATOM 736 CG2 VAL A 479 -1.897 1.746 -0.856 1.00 0.00 C ATOM 0 H VAL A 479 0.040 3.740 -3.221 1.00 0.00 H new ATOM 0 HA VAL A 479 0.479 2.991 -0.436 1.00 0.00 H new ATOM 0 HB VAL A 479 -0.723 1.127 -2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 479 -0.565 -0.621 -0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 479 1.039 -0.012 -1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 479 0.306 0.511 0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 479 -2.538 0.865 -0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 479 -1.747 2.058 0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 479 -2.370 2.554 -1.414 1.00 0.00 H new ATOM 746 N ILE A 480 2.658 1.923 -1.100 1.00 0.00 N ATOM 747 CA ILE A 480 4.005 1.523 -1.487 1.00 0.00 C ATOM 748 C ILE A 480 4.339 0.132 -0.960 1.00 0.00 C ATOM 749 O ILE A 480 4.012 -0.206 0.178 1.00 0.00 O ATOM 750 CB ILE A 480 5.058 2.522 -0.972 1.00 0.00 C ATOM 751 CG1 ILE A 480 4.720 3.940 -1.438 1.00 0.00 C ATOM 752 CG2 ILE A 480 6.447 2.120 -1.447 1.00 0.00 C ATOM 753 CD1 ILE A 480 5.201 5.018 -0.493 1.00 0.00 C ATOM 0 H ILE A 480 2.492 1.929 -0.094 1.00 0.00 H new ATOM 0 HA ILE A 480 4.030 1.511 -2.577 1.00 0.00 H new ATOM 0 HB ILE A 480 5.049 2.506 0.118 1.00 0.00 H new ATOM 0 HG12 ILE A 480 5.162 4.106 -2.420 1.00 0.00 H new ATOM 0 HG13 ILE A 480 3.640 4.027 -1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 480 7.180 2.836 -1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 480 6.687 1.126 -1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 480 6.470 2.110 -2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 480 4.927 5.996 -0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 480 4.739 4.878 0.484 1.00 0.00 H new ATOM 0 HD13 ILE A 480 6.285 4.958 -0.394 1.00 0.00 H new ATOM 765 N ILE A 481 4.994 -0.669 -1.793 1.00 0.00 N ATOM 766 CA ILE A 481 5.375 -2.023 -1.409 1.00 0.00 C ATOM 767 C ILE A 481 6.891 -2.162 -1.317 1.00 0.00 C ATOM 768 O ILE A 481 7.559 -2.463 -2.306 1.00 0.00 O ATOM 769 CB ILE A 481 4.836 -3.064 -2.408 1.00 0.00 C ATOM 770 CG1 ILE A 481 3.307 -3.025 -2.442 1.00 0.00 C ATOM 771 CG2 ILE A 481 5.327 -4.456 -2.039 1.00 0.00 C ATOM 772 CD1 ILE A 481 2.708 -3.815 -3.585 1.00 0.00 C ATOM 0 H ILE A 481 5.272 -0.404 -2.738 1.00 0.00 H new ATOM 0 HA ILE A 481 4.935 -2.209 -0.429 1.00 0.00 H new ATOM 0 HB ILE A 481 5.210 -2.820 -3.402 1.00 0.00 H new ATOM 0 HG12 ILE A 481 2.921 -3.414 -1.500 1.00 0.00 H new ATOM 0 HG13 ILE A 481 2.980 -1.988 -2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 481 4.938 -5.181 -2.754 1.00 0.00 H new ATOM 0 HG22 ILE A 481 6.417 -4.475 -2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 481 4.979 -4.711 -1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 481 1.621 -3.743 -3.547 1.00 0.00 H new ATOM 0 HD12 ILE A 481 3.065 -3.412 -4.533 1.00 0.00 H new ATOM 0 HD13 ILE A 481 3.005 -4.860 -3.500 1.00 0.00 H new ATOM 784 N TYR A 482 7.428 -1.941 -0.122 1.00 0.00 N ATOM 785 CA TYR A 482 8.865 -2.041 0.101 1.00 0.00 C ATOM 786 C TYR A 482 9.247 -3.438 0.580 1.00 0.00 C ATOM 787 O TYR A 482 8.745 -3.915 1.598 1.00 0.00 O ATOM 788 CB TYR A 482 9.318 -0.998 1.124 1.00 0.00 C ATOM 789 CG TYR A 482 10.796 -0.686 1.057 1.00 0.00 C ATOM 790 CD1 TYR A 482 11.739 -1.586 1.539 1.00 0.00 C ATOM 791 CD2 TYR A 482 11.250 0.509 0.511 1.00 0.00 C ATOM 792 CE1 TYR A 482 13.090 -1.304 1.480 1.00 0.00 C ATOM 793 CE2 TYR A 482 12.599 0.798 0.447 1.00 0.00 C ATOM 794 CZ TYR A 482 13.515 -0.112 0.934 1.00 0.00 C ATOM 795 OH TYR A 482 14.860 0.172 0.872 1.00 0.00 O ATOM 0 H TYR A 482 6.889 -1.691 0.707 1.00 0.00 H new ATOM 0 HA TYR A 482 9.367 -1.852 -0.848 1.00 0.00 H new ATOM 0 HB2 TYR A 482 8.754 -0.079 0.967 1.00 0.00 H new ATOM 0 HB3 TYR A 482 9.075 -1.354 2.125 1.00 0.00 H new ATOM 0 HD1 TYR A 482 11.410 -2.521 1.967 1.00 0.00 H new ATOM 0 HD2 TYR A 482 10.535 1.224 0.130 1.00 0.00 H new ATOM 0 HE1 TYR A 482 13.810 -2.014 1.860 1.00 0.00 H new ATOM 0 HE2 TYR A 482 12.935 1.731 0.018 1.00 0.00 H new ATOM 0 HH TYR A 482 14.990 1.051 0.458 1.00 0.00 H new ATOM 805 N GLN A 483 10.138 -4.089 -0.161 1.00 0.00 N ATOM 806 CA GLN A 483 10.587 -5.431 0.187 1.00 0.00 C ATOM 807 C GLN A 483 12.047 -5.635 -0.202 1.00 0.00 C ATOM 808 O GLN A 483 12.372 -5.765 -1.382 1.00 0.00 O ATOM 809 CB GLN A 483 9.712 -6.480 -0.502 1.00 0.00 C ATOM 810 CG GLN A 483 9.657 -6.328 -2.013 1.00 0.00 C ATOM 811 CD GLN A 483 8.523 -7.116 -2.638 1.00 0.00 C ATOM 812 OE1 GLN A 483 7.296 -6.813 -2.230 1.00 0.00 O flip ATOM 813 NE2 GLN A 483 8.746 -7.988 -3.479 1.00 0.00 N flip ATOM 0 H GLN A 483 10.563 -3.708 -1.006 1.00 0.00 H new ATOM 0 HA GLN A 483 10.498 -5.547 1.267 1.00 0.00 H new ATOM 0 HB2 GLN A 483 10.090 -7.473 -0.259 1.00 0.00 H new ATOM 0 HB3 GLN A 483 8.700 -6.417 -0.102 1.00 0.00 H new ATOM 0 HG2 GLN A 483 9.543 -5.273 -2.264 1.00 0.00 H new ATOM 0 HG3 GLN A 483 10.603 -6.658 -2.442 1.00 0.00 H new ATOM 0 HE21 GLN A 483 9.705 -8.189 -3.764 1.00 0.00 H new ATOM 0 HE22 GLN A 483 7.972 -8.509 -3.891 1.00 0.00 H new ATOM 822 N GLU A 484 12.923 -5.662 0.797 1.00 0.00 N ATOM 823 CA GLU A 484 14.349 -5.849 0.558 1.00 0.00 C ATOM 824 C GLU A 484 15.029 -6.469 1.775 1.00 0.00 C ATOM 825 O GLU A 484 14.517 -6.392 2.893 1.00 0.00 O ATOM 826 CB GLU A 484 15.011 -4.512 0.216 1.00 0.00 C ATOM 827 CG GLU A 484 16.497 -4.627 -0.079 1.00 0.00 C ATOM 828 CD GLU A 484 16.782 -5.405 -1.348 1.00 0.00 C ATOM 829 OE1 GLU A 484 16.404 -6.593 -1.413 1.00 0.00 O ATOM 830 OE2 GLU A 484 17.383 -4.826 -2.277 1.00 0.00 O ATOM 0 H GLU A 484 12.670 -5.557 1.780 1.00 0.00 H new ATOM 0 HA GLU A 484 14.463 -6.530 -0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 484 14.510 -4.079 -0.650 1.00 0.00 H new ATOM 0 HB3 GLU A 484 14.866 -3.821 1.047 1.00 0.00 H new ATOM 0 HG2 GLU A 484 16.924 -3.628 -0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 484 16.993 -5.114 0.760 1.00 0.00 H new ATOM 837 N LYS A 485 16.185 -7.083 1.551 1.00 0.00 N ATOM 838 CA LYS A 485 16.938 -7.716 2.628 1.00 0.00 C ATOM 839 C LYS A 485 17.484 -6.672 3.596 1.00 0.00 C ATOM 840 O LYS A 485 18.020 -5.646 3.178 1.00 0.00 O ATOM 841 CB LYS A 485 18.088 -8.547 2.054 1.00 0.00 C ATOM 842 CG LYS A 485 18.669 -9.544 3.042 1.00 0.00 C ATOM 843 CD LYS A 485 19.644 -10.494 2.367 1.00 0.00 C ATOM 844 CE LYS A 485 18.917 -11.587 1.599 1.00 0.00 C ATOM 845 NZ LYS A 485 19.730 -12.103 0.463 1.00 0.00 N ATOM 0 H LYS A 485 16.622 -7.156 0.632 1.00 0.00 H new ATOM 0 HA LYS A 485 16.261 -8.373 3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 485 17.733 -9.084 1.174 1.00 0.00 H new ATOM 0 HB3 LYS A 485 18.879 -7.876 1.720 1.00 0.00 H new ATOM 0 HG2 LYS A 485 19.177 -9.009 3.844 1.00 0.00 H new ATOM 0 HG3 LYS A 485 17.862 -10.115 3.501 1.00 0.00 H new ATOM 0 HD2 LYS A 485 20.286 -9.935 1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 485 20.292 -10.945 3.118 1.00 0.00 H new ATOM 0 HE2 LYS A 485 18.677 -12.407 2.275 1.00 0.00 H new ATOM 0 HE3 LYS A 485 17.972 -11.198 1.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 485 19.199 -12.846 -0.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 485 19.938 -11.326 -0.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 485 20.621 -12.498 0.825 1.00 0.00 H new ATOM 950 N GLU A 493 16.649 -12.422 6.936 1.00 0.00 N ATOM 951 CA GLU A 493 15.344 -12.692 6.343 1.00 0.00 C ATOM 952 C GLU A 493 14.822 -11.468 5.596 1.00 0.00 C ATOM 953 O GLU A 493 15.189 -10.335 5.907 1.00 0.00 O ATOM 954 CB GLU A 493 14.344 -13.109 7.424 1.00 0.00 C ATOM 955 CG GLU A 493 12.999 -13.547 6.872 1.00 0.00 C ATOM 956 CD GLU A 493 13.036 -14.945 6.285 1.00 0.00 C ATOM 957 OE1 GLU A 493 13.898 -15.203 5.419 1.00 0.00 O ATOM 958 OE2 GLU A 493 12.203 -15.781 6.693 1.00 0.00 O ATOM 0 HA GLU A 493 15.459 -13.509 5.631 1.00 0.00 H new ATOM 0 HB2 GLU A 493 14.771 -13.925 8.007 1.00 0.00 H new ATOM 0 HB3 GLU A 493 14.192 -12.274 8.108 1.00 0.00 H new ATOM 0 HG2 GLU A 493 12.255 -13.511 7.668 1.00 0.00 H new ATOM 0 HG3 GLU A 493 12.679 -12.843 6.104 1.00 0.00 H new ATOM 965 N ILE A 494 13.964 -11.706 4.609 1.00 0.00 N ATOM 966 CA ILE A 494 13.391 -10.624 3.819 1.00 0.00 C ATOM 967 C ILE A 494 12.112 -10.094 4.458 1.00 0.00 C ATOM 968 O ILE A 494 11.180 -10.852 4.726 1.00 0.00 O ATOM 969 CB ILE A 494 13.081 -11.081 2.381 1.00 0.00 C ATOM 970 CG1 ILE A 494 14.323 -11.708 1.743 1.00 0.00 C ATOM 971 CG2 ILE A 494 12.585 -9.909 1.548 1.00 0.00 C ATOM 972 CD1 ILE A 494 15.422 -10.710 1.453 1.00 0.00 C ATOM 0 H ILE A 494 13.651 -12.638 4.338 1.00 0.00 H new ATOM 0 HA ILE A 494 14.135 -9.828 3.787 1.00 0.00 H new ATOM 0 HB ILE A 494 12.294 -11.835 2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 494 14.711 -12.481 2.406 1.00 0.00 H new ATOM 0 HG13 ILE A 494 14.035 -12.200 0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 494 12.370 -10.248 0.535 1.00 0.00 H new ATOM 0 HG22 ILE A 494 11.677 -9.503 1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 494 13.351 -9.135 1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 494 16.271 -11.224 1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 494 15.051 -9.950 0.765 1.00 0.00 H new ATOM 0 HD13 ILE A 494 15.737 -10.236 2.382 1.00 0.00 H new ATOM 984 N ILE A 495 12.076 -8.787 4.698 1.00 0.00 N ATOM 985 CA ILE A 495 10.910 -8.155 5.303 1.00 0.00 C ATOM 986 C ILE A 495 10.059 -7.450 4.252 1.00 0.00 C ATOM 987 O ILE A 495 10.434 -7.376 3.081 1.00 0.00 O ATOM 988 CB ILE A 495 11.320 -7.136 6.383 1.00 0.00 C ATOM 989 CG1 ILE A 495 12.178 -6.028 5.771 1.00 0.00 C ATOM 990 CG2 ILE A 495 12.068 -7.832 7.510 1.00 0.00 C ATOM 991 CD1 ILE A 495 11.401 -5.081 4.883 1.00 0.00 C ATOM 0 H ILE A 495 12.840 -8.146 4.483 1.00 0.00 H new ATOM 0 HA ILE A 495 10.325 -8.949 5.767 1.00 0.00 H new ATOM 0 HB ILE A 495 10.418 -6.684 6.796 1.00 0.00 H new ATOM 0 HG12 ILE A 495 12.647 -5.458 6.573 1.00 0.00 H new ATOM 0 HG13 ILE A 495 12.981 -6.481 5.190 1.00 0.00 H new ATOM 0 HG21 ILE A 495 12.351 -7.099 8.266 1.00 0.00 H new ATOM 0 HG22 ILE A 495 11.425 -8.588 7.961 1.00 0.00 H new ATOM 0 HG23 ILE A 495 12.964 -8.308 7.112 1.00 0.00 H new ATOM 0 HD11 ILE A 495 12.074 -4.322 4.484 1.00 0.00 H new ATOM 0 HD12 ILE A 495 10.954 -5.638 4.060 1.00 0.00 H new ATOM 0 HD13 ILE A 495 10.615 -4.600 5.464 1.00 0.00 H new ATOM 1003 N VAL A 496 8.912 -6.931 4.678 1.00 0.00 N ATOM 1004 CA VAL A 496 8.009 -6.228 3.774 1.00 0.00 C ATOM 1005 C VAL A 496 7.245 -5.129 4.505 1.00 0.00 C ATOM 1006 O VAL A 496 6.469 -5.401 5.421 1.00 0.00 O ATOM 1007 CB VAL A 496 7.000 -7.195 3.126 1.00 0.00 C ATOM 1008 CG1 VAL A 496 6.017 -6.433 2.251 1.00 0.00 C ATOM 1009 CG2 VAL A 496 7.727 -8.262 2.321 1.00 0.00 C ATOM 0 H VAL A 496 8.586 -6.984 5.643 1.00 0.00 H new ATOM 0 HA VAL A 496 8.626 -5.781 2.994 1.00 0.00 H new ATOM 0 HB VAL A 496 6.437 -7.690 3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 496 5.312 -7.132 1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 496 5.473 -5.710 2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 496 6.560 -5.910 1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 496 6.999 -8.937 1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 496 8.316 -7.787 1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 496 8.387 -8.828 2.979 1.00 0.00 H new ATOM 1019 N LYS A 497 7.471 -3.886 4.093 1.00 0.00 N ATOM 1020 CA LYS A 497 6.803 -2.744 4.706 1.00 0.00 C ATOM 1021 C LYS A 497 5.789 -2.128 3.748 1.00 0.00 C ATOM 1022 O LYS A 497 6.156 -1.581 2.708 1.00 0.00 O ATOM 1023 CB LYS A 497 7.832 -1.690 5.124 1.00 0.00 C ATOM 1024 CG LYS A 497 8.878 -2.212 6.094 1.00 0.00 C ATOM 1025 CD LYS A 497 10.016 -1.222 6.272 1.00 0.00 C ATOM 1026 CE LYS A 497 10.673 -1.367 7.636 1.00 0.00 C ATOM 1027 NZ LYS A 497 11.514 -0.185 7.976 1.00 0.00 N ATOM 0 H LYS A 497 8.112 -3.644 3.337 1.00 0.00 H new ATOM 0 HA LYS A 497 6.272 -3.097 5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 497 8.332 -1.310 4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 497 7.312 -0.848 5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 497 8.413 -2.411 7.060 1.00 0.00 H new ATOM 0 HG3 LYS A 497 9.273 -3.160 5.729 1.00 0.00 H new ATOM 0 HD2 LYS A 497 10.760 -1.377 5.490 1.00 0.00 H new ATOM 0 HD3 LYS A 497 9.638 -0.206 6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 497 9.904 -1.496 8.397 1.00 0.00 H new ATOM 0 HE3 LYS A 497 11.289 -2.266 7.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 497 11.944 -0.323 8.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 497 12.264 -0.076 7.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 497 10.922 0.670 7.989 1.00 0.00 H new ATOM 1041 N ILE A 498 4.513 -2.219 4.107 1.00 0.00 N ATOM 1042 CA ILE A 498 3.446 -1.668 3.280 1.00 0.00 C ATOM 1043 C ILE A 498 3.030 -0.285 3.769 1.00 0.00 C ATOM 1044 O ILE A 498 2.468 -0.143 4.856 1.00 0.00 O ATOM 1045 CB ILE A 498 2.212 -2.589 3.265 1.00 0.00 C ATOM 1046 CG1 ILE A 498 2.586 -3.971 2.728 1.00 0.00 C ATOM 1047 CG2 ILE A 498 1.101 -1.972 2.429 1.00 0.00 C ATOM 1048 CD1 ILE A 498 1.569 -5.042 3.055 1.00 0.00 C ATOM 0 H ILE A 498 4.193 -2.669 4.965 1.00 0.00 H new ATOM 0 HA ILE A 498 3.841 -1.588 2.267 1.00 0.00 H new ATOM 0 HB ILE A 498 1.850 -2.704 4.287 1.00 0.00 H new ATOM 0 HG12 ILE A 498 2.704 -3.912 1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 498 3.553 -4.262 3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 498 0.236 -2.635 2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 498 0.819 -1.008 2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 498 1.451 -1.831 1.406 1.00 0.00 H new ATOM 0 HD11 ILE A 498 1.900 -5.996 2.643 1.00 0.00 H new ATOM 0 HD12 ILE A 498 1.468 -5.129 4.137 1.00 0.00 H new ATOM 0 HD13 ILE A 498 0.606 -4.774 2.621 1.00 0.00 H new ATOM 1060 N PHE A 499 3.307 0.732 2.960 1.00 0.00 N ATOM 1061 CA PHE A 499 2.960 2.104 3.310 1.00 0.00 C ATOM 1062 C PHE A 499 1.638 2.512 2.666 1.00 0.00 C ATOM 1063 O PHE A 499 1.434 2.322 1.467 1.00 0.00 O ATOM 1064 CB PHE A 499 4.071 3.061 2.872 1.00 0.00 C ATOM 1065 CG PHE A 499 5.423 2.701 3.418 1.00 0.00 C ATOM 1066 CD1 PHE A 499 6.175 1.694 2.834 1.00 0.00 C ATOM 1067 CD2 PHE A 499 5.941 3.368 4.516 1.00 0.00 C ATOM 1068 CE1 PHE A 499 7.420 1.360 3.334 1.00 0.00 C ATOM 1069 CE2 PHE A 499 7.185 3.039 5.020 1.00 0.00 C ATOM 1070 CZ PHE A 499 7.925 2.033 4.429 1.00 0.00 C ATOM 0 H PHE A 499 3.771 0.632 2.057 1.00 0.00 H new ATOM 0 HA PHE A 499 2.848 2.159 4.393 1.00 0.00 H new ATOM 0 HB2 PHE A 499 4.120 3.074 1.783 1.00 0.00 H new ATOM 0 HB3 PHE A 499 3.816 4.071 3.192 1.00 0.00 H new ATOM 0 HD1 PHE A 499 5.784 1.164 1.978 1.00 0.00 H new ATOM 0 HD2 PHE A 499 5.366 4.154 4.983 1.00 0.00 H new ATOM 0 HE1 PHE A 499 7.997 0.574 2.869 1.00 0.00 H new ATOM 0 HE2 PHE A 499 7.579 3.568 5.875 1.00 0.00 H new ATOM 0 HZ PHE A 499 8.897 1.773 4.823 1.00 0.00 H new ATOM 1080 N VAL A 500 0.743 3.075 3.472 1.00 0.00 N ATOM 1081 CA VAL A 500 -0.559 3.510 2.982 1.00 0.00 C ATOM 1082 C VAL A 500 -0.798 4.984 3.293 1.00 0.00 C ATOM 1083 O VAL A 500 -1.016 5.357 4.445 1.00 0.00 O ATOM 1084 CB VAL A 500 -1.698 2.676 3.598 1.00 0.00 C ATOM 1085 CG1 VAL A 500 -3.051 3.198 3.139 1.00 0.00 C ATOM 1086 CG2 VAL A 500 -1.535 1.207 3.239 1.00 0.00 C ATOM 0 H VAL A 500 0.896 3.240 4.467 1.00 0.00 H new ATOM 0 HA VAL A 500 -0.556 3.365 1.902 1.00 0.00 H new ATOM 0 HB VAL A 500 -1.648 2.770 4.683 1.00 0.00 H new ATOM 0 HG11 VAL A 500 -3.843 2.596 3.584 1.00 0.00 H new ATOM 0 HG12 VAL A 500 -3.165 4.236 3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -3.115 3.136 2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 500 -2.348 0.632 3.682 1.00 0.00 H new ATOM 0 HG22 VAL A 500 -1.558 1.093 2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 500 -0.582 0.842 3.622 1.00 0.00 H new ATOM 1096 N GLU A 501 -0.756 5.816 2.257 1.00 0.00 N ATOM 1097 CA GLU A 501 -0.968 7.249 2.420 1.00 0.00 C ATOM 1098 C GLU A 501 -2.422 7.619 2.144 1.00 0.00 C ATOM 1099 O GLU A 501 -3.014 7.167 1.163 1.00 0.00 O ATOM 1100 CB GLU A 501 -0.044 8.033 1.486 1.00 0.00 C ATOM 1101 CG GLU A 501 -0.479 9.472 1.266 1.00 0.00 C ATOM 1102 CD GLU A 501 -0.262 10.341 2.490 1.00 0.00 C ATOM 1103 OE1 GLU A 501 -0.435 9.833 3.617 1.00 0.00 O ATOM 1104 OE2 GLU A 501 0.081 11.530 2.320 1.00 0.00 O ATOM 0 H GLU A 501 -0.577 5.522 1.297 1.00 0.00 H new ATOM 0 HA GLU A 501 -0.735 7.510 3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 501 0.965 8.026 1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 501 0.001 7.525 0.523 1.00 0.00 H new ATOM 0 HG2 GLU A 501 0.074 9.890 0.425 1.00 0.00 H new ATOM 0 HG3 GLU A 501 -1.534 9.491 0.994 1.00 0.00 H new ATOM 1111 N PHE A 502 -2.992 8.445 3.015 1.00 0.00 N ATOM 1112 CA PHE A 502 -4.378 8.875 2.867 1.00 0.00 C ATOM 1113 C PHE A 502 -4.452 10.362 2.532 1.00 0.00 C ATOM 1114 O PHE A 502 -3.428 11.031 2.396 1.00 0.00 O ATOM 1115 CB PHE A 502 -5.163 8.589 4.148 1.00 0.00 C ATOM 1116 CG PHE A 502 -5.349 7.124 4.423 1.00 0.00 C ATOM 1117 CD1 PHE A 502 -4.402 6.416 5.146 1.00 0.00 C ATOM 1118 CD2 PHE A 502 -6.470 6.456 3.959 1.00 0.00 C ATOM 1119 CE1 PHE A 502 -4.571 5.067 5.399 1.00 0.00 C ATOM 1120 CE2 PHE A 502 -6.644 5.107 4.210 1.00 0.00 C ATOM 1121 CZ PHE A 502 -5.694 4.413 4.932 1.00 0.00 C ATOM 0 H PHE A 502 -2.516 8.830 3.831 1.00 0.00 H new ATOM 0 HA PHE A 502 -4.821 8.313 2.045 1.00 0.00 H new ATOM 0 HB2 PHE A 502 -4.645 9.046 4.991 1.00 0.00 H new ATOM 0 HB3 PHE A 502 -6.141 9.065 4.079 1.00 0.00 H new ATOM 0 HD1 PHE A 502 -3.523 6.923 5.516 1.00 0.00 H new ATOM 0 HD2 PHE A 502 -7.217 6.995 3.395 1.00 0.00 H new ATOM 0 HE1 PHE A 502 -3.825 4.525 5.962 1.00 0.00 H new ATOM 0 HE2 PHE A 502 -7.522 4.597 3.842 1.00 0.00 H new ATOM 0 HZ PHE A 502 -5.829 3.360 5.131 1.00 0.00 H new ATOM 1131 N SER A 503 -5.673 10.872 2.400 1.00 0.00 N ATOM 1132 CA SER A 503 -5.883 12.278 2.077 1.00 0.00 C ATOM 1133 C SER A 503 -5.576 13.164 3.281 1.00 0.00 C ATOM 1134 O SER A 503 -4.842 14.146 3.172 1.00 0.00 O ATOM 1135 CB SER A 503 -7.323 12.508 1.615 1.00 0.00 C ATOM 1136 OG SER A 503 -7.495 13.824 1.118 1.00 0.00 O ATOM 0 H SER A 503 -6.531 10.332 2.512 1.00 0.00 H new ATOM 0 HA SER A 503 -5.203 12.545 1.268 1.00 0.00 H new ATOM 0 HB2 SER A 503 -7.579 11.787 0.839 1.00 0.00 H new ATOM 0 HB3 SER A 503 -8.007 12.338 2.447 1.00 0.00 H new ATOM 0 HG SER A 503 -8.423 13.945 0.828 1.00 0.00 H new ATOM 1142 N ILE A 504 -6.144 12.808 4.429 1.00 0.00 N ATOM 1143 CA ILE A 504 -5.931 13.569 5.654 1.00 0.00 C ATOM 1144 C ILE A 504 -5.161 12.749 6.684 1.00 0.00 C ATOM 1145 O ILE A 504 -4.930 11.555 6.495 1.00 0.00 O ATOM 1146 CB ILE A 504 -7.265 14.027 6.272 1.00 0.00 C ATOM 1147 CG1 ILE A 504 -8.217 12.838 6.422 1.00 0.00 C ATOM 1148 CG2 ILE A 504 -7.899 15.115 5.417 1.00 0.00 C ATOM 1149 CD1 ILE A 504 -9.507 13.183 7.133 1.00 0.00 C ATOM 0 H ILE A 504 -6.755 11.998 4.536 1.00 0.00 H new ATOM 0 HA ILE A 504 -5.346 14.447 5.382 1.00 0.00 H new ATOM 0 HB ILE A 504 -7.068 14.438 7.262 1.00 0.00 H new ATOM 0 HG12 ILE A 504 -8.451 12.443 5.433 1.00 0.00 H new ATOM 0 HG13 ILE A 504 -7.710 12.044 6.971 1.00 0.00 H new ATOM 0 HG21 ILE A 504 -8.841 15.428 5.867 1.00 0.00 H new ATOM 0 HG22 ILE A 504 -7.224 15.969 5.356 1.00 0.00 H new ATOM 0 HG23 ILE A 504 -8.086 14.728 4.415 1.00 0.00 H new ATOM 0 HD11 ILE A 504 -10.133 12.293 7.204 1.00 0.00 H new ATOM 0 HD12 ILE A 504 -9.283 13.550 8.135 1.00 0.00 H new ATOM 0 HD13 ILE A 504 -10.036 13.955 6.574 1.00 0.00 H new ATOM 1161 N ALA A 505 -4.769 13.398 7.775 1.00 0.00 N ATOM 1162 CA ALA A 505 -4.029 12.728 8.838 1.00 0.00 C ATOM 1163 C ALA A 505 -4.960 11.903 9.719 1.00 0.00 C ATOM 1164 O ALA A 505 -4.638 10.776 10.095 1.00 0.00 O ATOM 1165 CB ALA A 505 -3.270 13.746 9.676 1.00 0.00 C ATOM 0 H ALA A 505 -4.951 14.387 7.946 1.00 0.00 H new ATOM 0 HA ALA A 505 -3.313 12.049 8.376 1.00 0.00 H new ATOM 0 HB1 ALA A 505 -2.722 13.231 10.466 1.00 0.00 H new ATOM 0 HB2 ALA A 505 -2.569 14.289 9.042 1.00 0.00 H new ATOM 0 HB3 ALA A 505 -3.975 14.448 10.122 1.00 0.00 H new ATOM 1171 N SER A 506 -6.116 12.473 10.047 1.00 0.00 N ATOM 1172 CA SER A 506 -7.092 11.791 10.889 1.00 0.00 C ATOM 1173 C SER A 506 -7.277 10.343 10.444 1.00 0.00 C ATOM 1174 O SER A 506 -7.015 9.412 11.204 1.00 0.00 O ATOM 1175 CB SER A 506 -8.434 12.525 10.846 1.00 0.00 C ATOM 1176 OG SER A 506 -9.168 12.317 12.040 1.00 0.00 O ATOM 0 H SER A 506 -6.399 13.404 9.743 1.00 0.00 H new ATOM 0 HA SER A 506 -6.717 11.793 11.912 1.00 0.00 H new ATOM 0 HB2 SER A 506 -8.264 13.592 10.701 1.00 0.00 H new ATOM 0 HB3 SER A 506 -9.016 12.176 9.993 1.00 0.00 H new ATOM 0 HG SER A 506 -10.020 12.798 11.988 1.00 0.00 H new ATOM 1182 N GLU A 507 -7.729 10.164 9.207 1.00 0.00 N ATOM 1183 CA GLU A 507 -7.949 8.830 8.661 1.00 0.00 C ATOM 1184 C GLU A 507 -6.786 7.903 9.002 1.00 0.00 C ATOM 1185 O GLU A 507 -6.985 6.788 9.484 1.00 0.00 O ATOM 1186 CB GLU A 507 -8.132 8.899 7.143 1.00 0.00 C ATOM 1187 CG GLU A 507 -9.416 9.591 6.716 1.00 0.00 C ATOM 1188 CD GLU A 507 -10.610 9.174 7.553 1.00 0.00 C ATOM 1189 OE1 GLU A 507 -10.742 9.674 8.690 1.00 0.00 O ATOM 1190 OE2 GLU A 507 -11.412 8.347 7.071 1.00 0.00 O ATOM 0 H GLU A 507 -7.950 10.925 8.565 1.00 0.00 H new ATOM 0 HA GLU A 507 -8.856 8.427 9.111 1.00 0.00 H new ATOM 0 HB2 GLU A 507 -7.283 9.425 6.707 1.00 0.00 H new ATOM 0 HB3 GLU A 507 -8.122 7.887 6.738 1.00 0.00 H new ATOM 0 HG2 GLU A 507 -9.284 10.670 6.790 1.00 0.00 H new ATOM 0 HG3 GLU A 507 -9.615 9.365 5.668 1.00 0.00 H new ATOM 1197 N THR A 508 -5.568 8.373 8.747 1.00 0.00 N ATOM 1198 CA THR A 508 -4.372 7.588 9.024 1.00 0.00 C ATOM 1199 C THR A 508 -4.322 7.161 10.486 1.00 0.00 C ATOM 1200 O THR A 508 -4.173 5.977 10.793 1.00 0.00 O ATOM 1201 CB THR A 508 -3.092 8.376 8.688 1.00 0.00 C ATOM 1202 OG1 THR A 508 -3.182 8.915 7.364 1.00 0.00 O ATOM 1203 CG2 THR A 508 -1.864 7.485 8.795 1.00 0.00 C ATOM 0 H THR A 508 -5.385 9.294 8.349 1.00 0.00 H new ATOM 0 HA THR A 508 -4.422 6.703 8.390 1.00 0.00 H new ATOM 0 HB THR A 508 -2.994 9.190 9.406 1.00 0.00 H new ATOM 0 HG1 THR A 508 -2.518 8.481 6.788 1.00 0.00 H new ATOM 0 HG21 THR A 508 -0.972 8.064 8.553 1.00 0.00 H new ATOM 0 HG22 THR A 508 -1.782 7.099 9.811 1.00 0.00 H new ATOM 0 HG23 THR A 508 -1.957 6.653 8.097 1.00 0.00 H new ATOM 1211 N HIS A 509 -4.448 8.130 11.387 1.00 0.00 N ATOM 1212 CA HIS A 509 -4.419 7.853 12.818 1.00 0.00 C ATOM 1213 C HIS A 509 -5.324 6.675 13.162 1.00 0.00 C ATOM 1214 O HIS A 509 -4.955 5.802 13.949 1.00 0.00 O ATOM 1215 CB HIS A 509 -4.849 9.090 13.608 1.00 0.00 C ATOM 1216 CG HIS A 509 -3.740 10.069 13.839 1.00 0.00 C ATOM 1217 ND1 HIS A 509 -3.182 10.295 15.080 1.00 0.00 N ATOM 1218 CD2 HIS A 509 -3.083 10.882 12.980 1.00 0.00 C ATOM 1219 CE1 HIS A 509 -2.232 11.206 14.974 1.00 0.00 C ATOM 1220 NE2 HIS A 509 -2.151 11.578 13.709 1.00 0.00 N ATOM 0 H HIS A 509 -4.571 9.115 11.151 1.00 0.00 H new ATOM 0 HA HIS A 509 -3.396 7.594 13.092 1.00 0.00 H new ATOM 0 HB2 HIS A 509 -5.658 9.589 13.074 1.00 0.00 H new ATOM 0 HB3 HIS A 509 -5.250 8.774 14.571 1.00 0.00 H new ATOM 0 HD2 HIS A 509 -3.259 10.968 11.918 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -1.625 11.583 15.784 1.00 0.00 H new ATOM 0 HE2 HIS A 509 -1.502 12.270 13.335 1.00 0.00 H new ATOM 1228 N LYS A 510 -6.513 6.655 12.569 1.00 0.00 N ATOM 1229 CA LYS A 510 -7.472 5.584 12.811 1.00 0.00 C ATOM 1230 C LYS A 510 -6.906 4.237 12.372 1.00 0.00 C ATOM 1231 O LYS A 510 -6.690 3.347 13.193 1.00 0.00 O ATOM 1232 CB LYS A 510 -8.781 5.866 12.069 1.00 0.00 C ATOM 1233 CG LYS A 510 -9.884 4.869 12.381 1.00 0.00 C ATOM 1234 CD LYS A 510 -11.063 5.030 11.436 1.00 0.00 C ATOM 1235 CE LYS A 510 -12.319 4.380 11.998 1.00 0.00 C ATOM 1236 NZ LYS A 510 -13.251 3.951 10.919 1.00 0.00 N ATOM 0 H LYS A 510 -6.836 7.370 11.916 1.00 0.00 H new ATOM 0 HA LYS A 510 -7.670 5.543 13.882 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -9.125 6.868 12.325 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -8.589 5.859 10.996 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -9.491 3.855 12.305 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -10.219 5.005 13.409 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -11.248 6.090 11.260 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -10.821 4.584 10.471 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -12.042 3.517 12.603 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -12.827 5.082 12.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -14.094 3.513 11.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -13.536 4.778 10.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -12.775 3.261 10.303 1.00 0.00 H new ATOM 1250 N ALA A 511 -6.668 4.096 11.072 1.00 0.00 N ATOM 1251 CA ALA A 511 -6.124 2.859 10.525 1.00 0.00 C ATOM 1252 C ALA A 511 -4.994 2.323 11.398 1.00 0.00 C ATOM 1253 O ALA A 511 -4.834 1.111 11.547 1.00 0.00 O ATOM 1254 CB ALA A 511 -5.634 3.082 9.102 1.00 0.00 C ATOM 0 H ALA A 511 -6.843 4.823 10.378 1.00 0.00 H new ATOM 0 HA ALA A 511 -6.921 2.115 10.511 1.00 0.00 H new ATOM 0 HB1 ALA A 511 -5.230 2.150 8.706 1.00 0.00 H new ATOM 0 HB2 ALA A 511 -6.465 3.411 8.478 1.00 0.00 H new ATOM 0 HB3 ALA A 511 -4.855 3.844 9.101 1.00 0.00 H new ATOM 1260 N ILE A 512 -4.213 3.232 11.971 1.00 0.00 N ATOM 1261 CA ILE A 512 -3.099 2.850 12.829 1.00 0.00 C ATOM 1262 C ILE A 512 -3.591 2.386 14.196 1.00 0.00 C ATOM 1263 O ILE A 512 -3.269 1.285 14.641 1.00 0.00 O ATOM 1264 CB ILE A 512 -2.110 4.015 13.020 1.00 0.00 C ATOM 1265 CG1 ILE A 512 -1.381 4.315 11.709 1.00 0.00 C ATOM 1266 CG2 ILE A 512 -1.114 3.688 14.123 1.00 0.00 C ATOM 1267 CD1 ILE A 512 -0.708 5.669 11.687 1.00 0.00 C ATOM 0 H ILE A 512 -4.331 4.239 11.856 1.00 0.00 H new ATOM 0 HA ILE A 512 -2.586 2.027 12.332 1.00 0.00 H new ATOM 0 HB ILE A 512 -2.670 4.903 13.313 1.00 0.00 H new ATOM 0 HG12 ILE A 512 -0.631 3.543 11.535 1.00 0.00 H new ATOM 0 HG13 ILE A 512 -2.093 4.259 10.886 1.00 0.00 H new ATOM 0 HG21 ILE A 512 -0.421 4.521 14.246 1.00 0.00 H new ATOM 0 HG22 ILE A 512 -1.649 3.519 15.058 1.00 0.00 H new ATOM 0 HG23 ILE A 512 -0.557 2.790 13.856 1.00 0.00 H new ATOM 0 HD11 ILE A 512 -0.211 5.813 10.727 1.00 0.00 H new ATOM 0 HD12 ILE A 512 -1.456 6.449 11.829 1.00 0.00 H new ATOM 0 HD13 ILE A 512 0.029 5.722 12.488 1.00 0.00 H new ATOM 1279 N GLN A 513 -4.375 3.234 14.855 1.00 0.00 N ATOM 1280 CA GLN A 513 -4.913 2.910 16.171 1.00 0.00 C ATOM 1281 C GLN A 513 -5.469 1.490 16.197 1.00 0.00 C ATOM 1282 O GLN A 513 -5.480 0.836 17.240 1.00 0.00 O ATOM 1283 CB GLN A 513 -6.008 3.906 16.557 1.00 0.00 C ATOM 1284 CG GLN A 513 -5.484 5.136 17.280 1.00 0.00 C ATOM 1285 CD GLN A 513 -6.566 5.865 18.052 1.00 0.00 C ATOM 1286 OE1 GLN A 513 -6.366 6.261 19.200 1.00 0.00 O ATOM 1287 NE2 GLN A 513 -7.722 6.046 17.424 1.00 0.00 N ATOM 0 H GLN A 513 -4.651 4.149 14.499 1.00 0.00 H new ATOM 0 HA GLN A 513 -4.100 2.976 16.894 1.00 0.00 H new ATOM 0 HB2 GLN A 513 -6.535 4.221 15.656 1.00 0.00 H new ATOM 0 HB3 GLN A 513 -6.737 3.404 17.193 1.00 0.00 H new ATOM 0 HG2 GLN A 513 -4.691 4.839 17.966 1.00 0.00 H new ATOM 0 HG3 GLN A 513 -5.039 5.817 16.555 1.00 0.00 H new ATOM 0 HE21 GLN A 513 -7.845 5.701 16.472 1.00 0.00 H new ATOM 0 HE22 GLN A 513 -8.487 6.530 17.894 1.00 0.00 H new ATOM 1296 N ALA A 514 -5.931 1.019 15.043 1.00 0.00 N ATOM 1297 CA ALA A 514 -6.487 -0.324 14.934 1.00 0.00 C ATOM 1298 C ALA A 514 -5.423 -1.325 14.497 1.00 0.00 C ATOM 1299 O ALA A 514 -5.106 -2.268 15.224 1.00 0.00 O ATOM 1300 CB ALA A 514 -7.656 -0.334 13.960 1.00 0.00 C ATOM 0 H ALA A 514 -5.931 1.548 14.171 1.00 0.00 H new ATOM 0 HA ALA A 514 -6.846 -0.623 15.919 1.00 0.00 H new ATOM 0 HB1 ALA A 514 -8.061 -1.343 13.888 1.00 0.00 H new ATOM 0 HB2 ALA A 514 -8.432 0.344 14.316 1.00 0.00 H new ATOM 0 HB3 ALA A 514 -7.314 -0.010 12.977 1.00 0.00 H new ATOM 1306 N LEU A 515 -4.874 -1.115 13.305 1.00 0.00 N ATOM 1307 CA LEU A 515 -3.845 -2.000 12.770 1.00 0.00 C ATOM 1308 C LEU A 515 -2.629 -2.039 13.689 1.00 0.00 C ATOM 1309 O LEU A 515 -1.735 -2.867 13.518 1.00 0.00 O ATOM 1310 CB LEU A 515 -3.428 -1.542 11.372 1.00 0.00 C ATOM 1311 CG LEU A 515 -4.432 -1.809 10.250 1.00 0.00 C ATOM 1312 CD1 LEU A 515 -4.175 -0.882 9.072 1.00 0.00 C ATOM 1313 CD2 LEU A 515 -4.367 -3.264 9.810 1.00 0.00 C ATOM 0 H LEU A 515 -5.124 -0.340 12.691 1.00 0.00 H new ATOM 0 HA LEU A 515 -4.262 -3.005 12.707 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -3.229 -0.471 11.407 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -2.489 -2.032 11.116 1.00 0.00 H new ATOM 0 HG LEU A 515 -5.434 -1.610 10.631 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -4.899 -1.087 8.283 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -4.274 0.154 9.396 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -3.167 -1.048 8.691 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -5.088 -3.435 9.011 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -3.364 -3.490 9.448 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -4.602 -3.911 10.655 1.00 0.00 H new ATOM 1325 N ASN A 516 -2.603 -1.138 14.666 1.00 0.00 N ATOM 1326 CA ASN A 516 -1.496 -1.070 15.614 1.00 0.00 C ATOM 1327 C ASN A 516 -1.548 -2.238 16.595 1.00 0.00 C ATOM 1328 O ASN A 516 -0.697 -2.361 17.475 1.00 0.00 O ATOM 1329 CB ASN A 516 -1.533 0.254 16.379 1.00 0.00 C ATOM 1330 CG ASN A 516 -0.491 0.316 17.480 1.00 0.00 C ATOM 1331 OD1 ASN A 516 0.571 -0.299 17.379 1.00 0.00 O ATOM 1332 ND2 ASN A 516 -0.792 1.060 18.538 1.00 0.00 N ATOM 0 H ASN A 516 -3.335 -0.445 14.822 1.00 0.00 H new ATOM 0 HA ASN A 516 -0.564 -1.131 15.052 1.00 0.00 H new ATOM 0 HB2 ASN A 516 -1.371 1.077 15.683 1.00 0.00 H new ATOM 0 HB3 ASN A 516 -2.524 0.393 16.812 1.00 0.00 H new ATOM 0 HD21 ASN A 516 -0.131 1.139 19.310 1.00 0.00 H new ATOM 0 HD22 ASN A 516 -1.685 1.552 18.578 1.00 0.00 H new ATOM 1339 N GLY A 517 -2.552 -3.094 16.435 1.00 0.00 N ATOM 1340 CA GLY A 517 -2.696 -4.241 17.312 1.00 0.00 C ATOM 1341 C GLY A 517 -3.636 -5.289 16.748 1.00 0.00 C ATOM 1342 O GLY A 517 -4.232 -6.064 17.495 1.00 0.00 O ATOM 0 H GLY A 517 -3.269 -3.014 15.713 1.00 0.00 H new ATOM 0 HA2 GLY A 517 -1.717 -4.689 17.482 1.00 0.00 H new ATOM 0 HA3 GLY A 517 -3.067 -3.909 18.281 1.00 0.00 H new ATOM 1346 N ARG A 518 -3.769 -5.311 15.426 1.00 0.00 N ATOM 1347 CA ARG A 518 -4.645 -6.269 14.762 1.00 0.00 C ATOM 1348 C ARG A 518 -4.078 -7.682 14.859 1.00 0.00 C ATOM 1349 O ARG A 518 -2.866 -7.869 14.970 1.00 0.00 O ATOM 1350 CB ARG A 518 -4.838 -5.884 13.294 1.00 0.00 C ATOM 1351 CG ARG A 518 -6.026 -4.967 13.056 1.00 0.00 C ATOM 1352 CD ARG A 518 -7.313 -5.756 12.879 1.00 0.00 C ATOM 1353 NE ARG A 518 -7.976 -6.016 14.154 1.00 0.00 N ATOM 1354 CZ ARG A 518 -8.953 -6.902 14.308 1.00 0.00 C ATOM 1355 NH1 ARG A 518 -9.379 -7.610 13.271 1.00 0.00 N ATOM 1356 NH2 ARG A 518 -9.506 -7.082 15.500 1.00 0.00 N ATOM 0 H ARG A 518 -3.281 -4.676 14.794 1.00 0.00 H new ATOM 0 HA ARG A 518 -5.612 -6.249 15.265 1.00 0.00 H new ATOM 0 HB2 ARG A 518 -3.934 -5.394 12.934 1.00 0.00 H new ATOM 0 HB3 ARG A 518 -4.966 -6.791 12.703 1.00 0.00 H new ATOM 0 HG2 ARG A 518 -6.131 -4.281 13.896 1.00 0.00 H new ATOM 0 HG3 ARG A 518 -5.846 -4.359 12.169 1.00 0.00 H new ATOM 0 HD2 ARG A 518 -7.989 -5.205 12.225 1.00 0.00 H new ATOM 0 HD3 ARG A 518 -7.093 -6.703 12.385 1.00 0.00 H new ATOM 0 HE ARG A 518 -7.672 -5.488 14.972 1.00 0.00 H new ATOM 0 HH11 ARG A 518 -8.956 -7.475 12.353 1.00 0.00 H new ATOM 0 HH12 ARG A 518 -10.130 -8.290 13.392 1.00 0.00 H new ATOM 0 HH21 ARG A 518 -9.181 -6.539 16.300 1.00 0.00 H new ATOM 0 HH22 ARG A 518 -10.256 -7.763 15.616 1.00 0.00 H new ATOM 1370 N TRP A 519 -4.961 -8.673 14.816 1.00 0.00 N ATOM 1371 CA TRP A 519 -4.548 -10.069 14.899 1.00 0.00 C ATOM 1372 C TRP A 519 -4.578 -10.728 13.525 1.00 0.00 C ATOM 1373 O TRP A 519 -5.641 -10.878 12.920 1.00 0.00 O ATOM 1374 CB TRP A 519 -5.455 -10.834 15.865 1.00 0.00 C ATOM 1375 CG TRP A 519 -4.940 -10.854 17.273 1.00 0.00 C ATOM 1376 CD1 TRP A 519 -5.386 -10.097 18.319 1.00 0.00 C ATOM 1377 CD2 TRP A 519 -3.881 -11.669 17.786 1.00 0.00 C ATOM 1378 NE1 TRP A 519 -4.667 -10.394 19.452 1.00 0.00 N ATOM 1379 CE2 TRP A 519 -3.739 -11.355 19.152 1.00 0.00 C ATOM 1380 CE3 TRP A 519 -3.041 -12.635 17.226 1.00 0.00 C ATOM 1381 CZ2 TRP A 519 -2.790 -11.973 19.963 1.00 0.00 C ATOM 1382 CZ3 TRP A 519 -2.099 -13.246 18.032 1.00 0.00 C ATOM 1383 CH2 TRP A 519 -1.981 -12.914 19.388 1.00 0.00 C ATOM 0 H TRP A 519 -5.968 -8.536 14.724 1.00 0.00 H new ATOM 0 HA TRP A 519 -3.524 -10.098 15.273 1.00 0.00 H new ATOM 0 HB2 TRP A 519 -6.447 -10.383 15.855 1.00 0.00 H new ATOM 0 HB3 TRP A 519 -5.567 -11.859 15.512 1.00 0.00 H new ATOM 0 HD1 TRP A 519 -6.185 -9.373 18.264 1.00 0.00 H new ATOM 0 HE1 TRP A 519 -4.803 -9.967 20.368 1.00 0.00 H new ATOM 0 HE3 TRP A 519 -3.126 -12.899 16.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 519 -2.696 -11.718 21.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 519 -1.443 -13.992 17.609 1.00 0.00 H new ATOM 0 HH2 TRP A 519 -1.236 -13.411 19.992 1.00 0.00 H new ATOM 1394 N PHE A 520 -3.407 -11.122 13.036 1.00 0.00 N ATOM 1395 CA PHE A 520 -3.300 -11.765 11.731 1.00 0.00 C ATOM 1396 C PHE A 520 -3.546 -13.267 11.844 1.00 0.00 C ATOM 1397 O PHE A 520 -3.397 -13.852 12.916 1.00 0.00 O ATOM 1398 CB PHE A 520 -1.919 -11.507 11.124 1.00 0.00 C ATOM 1399 CG PHE A 520 -1.873 -11.706 9.636 1.00 0.00 C ATOM 1400 CD1 PHE A 520 -1.710 -12.972 9.097 1.00 0.00 C ATOM 1401 CD2 PHE A 520 -1.990 -10.626 8.776 1.00 0.00 C ATOM 1402 CE1 PHE A 520 -1.667 -13.158 7.728 1.00 0.00 C ATOM 1403 CE2 PHE A 520 -1.949 -10.806 7.406 1.00 0.00 C ATOM 1404 CZ PHE A 520 -1.786 -12.073 6.882 1.00 0.00 C ATOM 0 H PHE A 520 -2.518 -11.007 13.524 1.00 0.00 H new ATOM 0 HA PHE A 520 -4.062 -11.338 11.079 1.00 0.00 H new ATOM 0 HB2 PHE A 520 -1.614 -10.487 11.356 1.00 0.00 H new ATOM 0 HB3 PHE A 520 -1.194 -12.171 11.594 1.00 0.00 H new ATOM 0 HD1 PHE A 520 -1.615 -13.824 9.754 1.00 0.00 H new ATOM 0 HD2 PHE A 520 -2.115 -9.632 9.180 1.00 0.00 H new ATOM 0 HE1 PHE A 520 -1.541 -14.150 7.321 1.00 0.00 H new ATOM 0 HE2 PHE A 520 -2.044 -9.956 6.746 1.00 0.00 H new ATOM 0 HZ PHE A 520 -1.752 -12.215 5.812 1.00 0.00 H new ATOM 1414 N ALA A 521 -3.925 -13.883 10.729 1.00 0.00 N ATOM 1415 CA ALA A 521 -4.191 -15.316 10.701 1.00 0.00 C ATOM 1416 C ALA A 521 -3.024 -16.102 11.287 1.00 0.00 C ATOM 1417 O ALA A 521 -2.147 -16.566 10.560 1.00 0.00 O ATOM 1418 CB ALA A 521 -4.475 -15.772 9.277 1.00 0.00 C ATOM 0 H ALA A 521 -4.055 -13.412 9.834 1.00 0.00 H new ATOM 0 HA ALA A 521 -5.070 -15.510 11.315 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -4.672 -16.844 9.271 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -5.345 -15.241 8.892 1.00 0.00 H new ATOM 0 HB3 ALA A 521 -3.611 -15.558 8.647 1.00 0.00 H new ATOM 1424 N GLY A 522 -3.019 -16.249 12.609 1.00 0.00 N ATOM 1425 CA GLY A 522 -1.954 -16.979 13.271 1.00 0.00 C ATOM 1426 C GLY A 522 -0.702 -16.144 13.449 1.00 0.00 C ATOM 1427 O GLY A 522 0.393 -16.682 13.611 1.00 0.00 O ATOM 0 H GLY A 522 -3.734 -15.875 13.233 1.00 0.00 H new ATOM 0 HA2 GLY A 522 -2.302 -17.318 14.247 1.00 0.00 H new ATOM 0 HA3 GLY A 522 -1.713 -17.870 12.691 1.00 0.00 H new ATOM 1431 N ARG A 523 -0.864 -14.825 13.419 1.00 0.00 N ATOM 1432 CA ARG A 523 0.263 -13.914 13.576 1.00 0.00 C ATOM 1433 C ARG A 523 -0.202 -12.559 14.103 1.00 0.00 C ATOM 1434 O ARG A 523 -1.401 -12.291 14.185 1.00 0.00 O ATOM 1435 CB ARG A 523 0.990 -13.732 12.242 1.00 0.00 C ATOM 1436 CG ARG A 523 1.861 -14.917 11.857 1.00 0.00 C ATOM 1437 CD ARG A 523 2.948 -15.168 12.890 1.00 0.00 C ATOM 1438 NE ARG A 523 3.982 -16.069 12.388 1.00 0.00 N ATOM 1439 CZ ARG A 523 3.877 -17.393 12.413 1.00 0.00 C ATOM 1440 NH1 ARG A 523 2.791 -17.967 12.911 1.00 0.00 N ATOM 1441 NH2 ARG A 523 4.861 -18.146 11.937 1.00 0.00 N ATOM 0 H ARG A 523 -1.764 -14.364 13.287 1.00 0.00 H new ATOM 0 HA ARG A 523 0.951 -14.350 14.300 1.00 0.00 H new ATOM 0 HB2 ARG A 523 0.253 -13.563 11.457 1.00 0.00 H new ATOM 0 HB3 ARG A 523 1.611 -12.838 12.295 1.00 0.00 H new ATOM 0 HG2 ARG A 523 1.241 -15.808 11.756 1.00 0.00 H new ATOM 0 HG3 ARG A 523 2.317 -14.734 10.884 1.00 0.00 H new ATOM 0 HD2 ARG A 523 3.402 -14.219 13.177 1.00 0.00 H new ATOM 0 HD3 ARG A 523 2.502 -15.593 13.789 1.00 0.00 H new ATOM 0 HE ARG A 523 4.831 -15.660 11.997 1.00 0.00 H new ATOM 0 HH11 ARG A 523 2.032 -17.392 13.277 1.00 0.00 H new ATOM 0 HH12 ARG A 523 2.714 -18.984 12.928 1.00 0.00 H new ATOM 0 HH21 ARG A 523 5.698 -17.708 11.552 1.00 0.00 H new ATOM 0 HH22 ARG A 523 4.780 -19.163 11.956 1.00 0.00 H new ATOM 1455 N LYS A 524 0.754 -11.708 14.459 1.00 0.00 N ATOM 1456 CA LYS A 524 0.444 -10.381 14.977 1.00 0.00 C ATOM 1457 C LYS A 524 0.872 -9.298 13.991 1.00 0.00 C ATOM 1458 O LYS A 524 1.918 -9.407 13.350 1.00 0.00 O ATOM 1459 CB LYS A 524 1.137 -10.162 16.324 1.00 0.00 C ATOM 1460 CG LYS A 524 0.508 -9.060 17.159 1.00 0.00 C ATOM 1461 CD LYS A 524 -0.602 -9.598 18.046 1.00 0.00 C ATOM 1462 CE LYS A 524 -1.514 -8.483 18.536 1.00 0.00 C ATOM 1463 NZ LYS A 524 -2.652 -8.247 17.605 1.00 0.00 N ATOM 0 H LYS A 524 1.751 -11.914 14.398 1.00 0.00 H new ATOM 0 HA LYS A 524 -0.635 -10.316 15.116 1.00 0.00 H new ATOM 0 HB2 LYS A 524 1.115 -11.093 16.890 1.00 0.00 H new ATOM 0 HB3 LYS A 524 2.185 -9.920 16.149 1.00 0.00 H new ATOM 0 HG2 LYS A 524 1.273 -8.589 17.777 1.00 0.00 H new ATOM 0 HG3 LYS A 524 0.108 -8.288 16.502 1.00 0.00 H new ATOM 0 HD2 LYS A 524 -1.188 -10.332 17.493 1.00 0.00 H new ATOM 0 HD3 LYS A 524 -0.167 -10.116 18.901 1.00 0.00 H new ATOM 0 HE2 LYS A 524 -1.899 -8.737 19.523 1.00 0.00 H new ATOM 0 HE3 LYS A 524 -0.938 -7.564 18.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 524 -3.120 -7.351 17.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 524 -2.297 -8.198 16.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 524 -3.335 -9.027 17.686 1.00 0.00 H new ATOM 1477 N VAL A 525 0.058 -8.254 13.876 1.00 0.00 N ATOM 1478 CA VAL A 525 0.355 -7.150 12.970 1.00 0.00 C ATOM 1479 C VAL A 525 0.772 -5.903 13.742 1.00 0.00 C ATOM 1480 O VAL A 525 0.413 -5.731 14.906 1.00 0.00 O ATOM 1481 CB VAL A 525 -0.859 -6.810 12.084 1.00 0.00 C ATOM 1482 CG1 VAL A 525 -0.555 -5.609 11.202 1.00 0.00 C ATOM 1483 CG2 VAL A 525 -1.257 -8.013 11.243 1.00 0.00 C ATOM 0 H VAL A 525 -0.812 -8.149 14.398 1.00 0.00 H new ATOM 0 HA VAL A 525 1.180 -7.474 12.335 1.00 0.00 H new ATOM 0 HB VAL A 525 -1.699 -6.553 12.730 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -1.423 -5.383 10.583 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -0.322 -4.748 11.828 1.00 0.00 H new ATOM 0 HG13 VAL A 525 0.298 -5.834 10.562 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -2.116 -7.756 10.623 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -0.423 -8.303 10.604 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -1.518 -8.844 11.898 1.00 0.00 H new ATOM 1493 N VAL A 526 1.534 -5.035 13.084 1.00 0.00 N ATOM 1494 CA VAL A 526 2.000 -3.802 13.707 1.00 0.00 C ATOM 1495 C VAL A 526 2.020 -2.653 12.705 1.00 0.00 C ATOM 1496 O VAL A 526 2.625 -2.757 11.638 1.00 0.00 O ATOM 1497 CB VAL A 526 3.410 -3.973 14.304 1.00 0.00 C ATOM 1498 CG1 VAL A 526 3.965 -2.630 14.756 1.00 0.00 C ATOM 1499 CG2 VAL A 526 3.383 -4.963 15.458 1.00 0.00 C ATOM 0 H VAL A 526 1.842 -5.163 12.120 1.00 0.00 H new ATOM 0 HA VAL A 526 1.300 -3.568 14.509 1.00 0.00 H new ATOM 0 HB VAL A 526 4.068 -4.369 13.530 1.00 0.00 H new ATOM 0 HG11 VAL A 526 4.961 -2.770 15.175 1.00 0.00 H new ATOM 0 HG12 VAL A 526 4.022 -1.954 13.903 1.00 0.00 H new ATOM 0 HG13 VAL A 526 3.310 -2.202 15.515 1.00 0.00 H new ATOM 0 HG21 VAL A 526 4.387 -5.072 15.868 1.00 0.00 H new ATOM 0 HG22 VAL A 526 2.712 -4.598 16.235 1.00 0.00 H new ATOM 0 HG23 VAL A 526 3.031 -5.930 15.099 1.00 0.00 H new ATOM 1509 N ALA A 527 1.355 -1.558 13.056 1.00 0.00 N ATOM 1510 CA ALA A 527 1.298 -0.388 12.188 1.00 0.00 C ATOM 1511 C ALA A 527 1.949 0.820 12.852 1.00 0.00 C ATOM 1512 O ALA A 527 1.584 1.200 13.964 1.00 0.00 O ATOM 1513 CB ALA A 527 -0.144 -0.075 11.817 1.00 0.00 C ATOM 0 H ALA A 527 0.848 -1.456 13.935 1.00 0.00 H new ATOM 0 HA ALA A 527 1.855 -0.614 11.278 1.00 0.00 H new ATOM 0 HB1 ALA A 527 -0.171 0.801 11.169 1.00 0.00 H new ATOM 0 HB2 ALA A 527 -0.578 -0.927 11.294 1.00 0.00 H new ATOM 0 HB3 ALA A 527 -0.717 0.126 12.722 1.00 0.00 H new ATOM 1519 N GLU A 528 2.915 1.420 12.163 1.00 0.00 N ATOM 1520 CA GLU A 528 3.618 2.584 12.689 1.00 0.00 C ATOM 1521 C GLU A 528 3.246 3.842 11.909 1.00 0.00 C ATOM 1522 O GLU A 528 2.644 3.766 10.838 1.00 0.00 O ATOM 1523 CB GLU A 528 5.131 2.363 12.631 1.00 0.00 C ATOM 1524 CG GLU A 528 5.940 3.635 12.824 1.00 0.00 C ATOM 1525 CD GLU A 528 7.435 3.382 12.821 1.00 0.00 C ATOM 1526 OE1 GLU A 528 7.932 2.754 13.780 1.00 0.00 O ATOM 1527 OE2 GLU A 528 8.108 3.812 11.862 1.00 0.00 O ATOM 0 H GLU A 528 3.228 1.119 11.240 1.00 0.00 H new ATOM 0 HA GLU A 528 3.318 2.719 13.728 1.00 0.00 H new ATOM 0 HB2 GLU A 528 5.414 1.642 13.398 1.00 0.00 H new ATOM 0 HB3 GLU A 528 5.389 1.921 11.668 1.00 0.00 H new ATOM 0 HG2 GLU A 528 5.693 4.342 12.032 1.00 0.00 H new ATOM 0 HG3 GLU A 528 5.656 4.102 13.767 1.00 0.00 H new ATOM 1534 N VAL A 529 3.610 4.998 12.454 1.00 0.00 N ATOM 1535 CA VAL A 529 3.316 6.273 11.810 1.00 0.00 C ATOM 1536 C VAL A 529 4.554 6.843 11.128 1.00 0.00 C ATOM 1537 O VAL A 529 5.514 7.238 11.791 1.00 0.00 O ATOM 1538 CB VAL A 529 2.780 7.303 12.822 1.00 0.00 C ATOM 1539 CG1 VAL A 529 3.858 7.671 13.831 1.00 0.00 C ATOM 1540 CG2 VAL A 529 2.268 8.541 12.102 1.00 0.00 C ATOM 0 H VAL A 529 4.109 5.078 13.340 1.00 0.00 H new ATOM 0 HA VAL A 529 2.549 6.079 11.060 1.00 0.00 H new ATOM 0 HB VAL A 529 1.947 6.855 13.363 1.00 0.00 H new ATOM 0 HG11 VAL A 529 3.461 8.400 14.538 1.00 0.00 H new ATOM 0 HG12 VAL A 529 4.173 6.777 14.370 1.00 0.00 H new ATOM 0 HG13 VAL A 529 4.713 8.100 13.309 1.00 0.00 H new ATOM 0 HG21 VAL A 529 1.893 9.258 12.833 1.00 0.00 H new ATOM 0 HG22 VAL A 529 3.081 8.993 11.534 1.00 0.00 H new ATOM 0 HG23 VAL A 529 1.463 8.260 11.423 1.00 0.00 H new ATOM 1550 N TYR A 530 4.526 6.885 9.801 1.00 0.00 N ATOM 1551 CA TYR A 530 5.648 7.405 9.028 1.00 0.00 C ATOM 1552 C TYR A 530 5.588 8.927 8.939 1.00 0.00 C ATOM 1553 O TYR A 530 4.819 9.485 8.156 1.00 0.00 O ATOM 1554 CB TYR A 530 5.651 6.801 7.623 1.00 0.00 C ATOM 1555 CG TYR A 530 7.031 6.680 7.019 1.00 0.00 C ATOM 1556 CD1 TYR A 530 8.018 5.922 7.637 1.00 0.00 C ATOM 1557 CD2 TYR A 530 7.348 7.323 5.829 1.00 0.00 C ATOM 1558 CE1 TYR A 530 9.281 5.810 7.088 1.00 0.00 C ATOM 1559 CE2 TYR A 530 8.608 7.216 5.272 1.00 0.00 C ATOM 1560 CZ TYR A 530 9.571 6.458 5.906 1.00 0.00 C ATOM 1561 OH TYR A 530 10.828 6.348 5.356 1.00 0.00 O ATOM 0 H TYR A 530 3.738 6.565 9.238 1.00 0.00 H new ATOM 0 HA TYR A 530 6.569 7.124 9.538 1.00 0.00 H new ATOM 0 HB2 TYR A 530 5.192 5.813 7.660 1.00 0.00 H new ATOM 0 HB3 TYR A 530 5.031 7.416 6.971 1.00 0.00 H new ATOM 0 HD1 TYR A 530 7.794 5.412 8.562 1.00 0.00 H new ATOM 0 HD2 TYR A 530 6.596 7.917 5.330 1.00 0.00 H new ATOM 0 HE1 TYR A 530 10.037 5.218 7.582 1.00 0.00 H new ATOM 0 HE2 TYR A 530 8.838 7.723 4.346 1.00 0.00 H new ATOM 0 HH TYR A 530 10.867 6.864 4.524 1.00 0.00 H new