USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=14 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 4:sc= -0.0293 USER MOD Set 1.2: A 508 THR OG1 : rot -26:sc= 0.516! USER MOD Single : A 444 SER OG : rot -101:sc= 0.0386 USER MOD Single : A 447 MET CE :methyl -171:sc= -0.108 (180deg=-0.147) USER MOD Single : A 451 ASN : amide:sc= -1.62 K(o=-1.6,f=-2.6) USER MOD Single : A 452 MET CE :methyl 158:sc= -0.0222 (180deg=-0.739) USER MOD Single : A 456 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 467 THR OG1 : rot 72:sc= 1.07 USER MOD Single : A 470 CYS SG : rot 68:sc= -0.591 USER MOD Single : A 472 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 477 ASN : amide:sc= -0.407 X(o=-0.41,f=-0.77) USER MOD Single : A 482 TYR OH : rot 180:sc= 0 USER MOD Single : A 483 GLN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 485 LYS NZ :NH3+ 144:sc= 0 (180deg=-1.38!) 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 X(o=0,f=-0.0017) USER MOD Single : A 510 LYS NZ :NH3+ 145:sc= 0.284 (180deg=-0.798) USER MOD Single : A 513 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 516 ASN : amide:sc= -3.23! K(o=-3.2!,f=-1.6) USER MOD Single : A 524 LYS NZ :NH3+ 175:sc= 1.84 (180deg=1.75) USER MOD Single : A 530 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 204 N SER A 444 1.061 13.479 10.189 1.00 0.00 N ATOM 205 CA SER A 444 1.522 12.249 9.555 1.00 0.00 C ATOM 206 C SER A 444 0.344 11.435 9.029 1.00 0.00 C ATOM 207 O SER A 444 -0.352 10.764 9.791 1.00 0.00 O ATOM 208 CB SER A 444 2.334 11.413 10.545 1.00 0.00 C ATOM 209 OG SER A 444 3.664 11.891 10.646 1.00 0.00 O ATOM 0 HA SER A 444 2.159 12.520 8.713 1.00 0.00 H new ATOM 0 HB2 SER A 444 1.859 11.442 11.525 1.00 0.00 H new ATOM 0 HB3 SER A 444 2.342 10.371 10.225 1.00 0.00 H new ATOM 0 HG SER A 444 4.257 11.322 10.112 1.00 0.00 H new ATOM 215 N THR A 445 0.127 11.498 7.719 1.00 0.00 N ATOM 216 CA THR A 445 -0.967 10.768 7.090 1.00 0.00 C ATOM 217 C THR A 445 -0.451 9.548 6.336 1.00 0.00 C ATOM 218 O THR A 445 -1.131 9.014 5.459 1.00 0.00 O ATOM 219 CB THR A 445 -1.753 11.665 6.115 1.00 0.00 C ATOM 220 OG1 THR A 445 -2.926 10.982 5.659 1.00 0.00 O ATOM 221 CG2 THR A 445 -0.892 12.055 4.924 1.00 0.00 C ATOM 0 H THR A 445 0.694 12.047 7.073 1.00 0.00 H new ATOM 0 HA THR A 445 -1.632 10.443 7.890 1.00 0.00 H new ATOM 0 HB THR A 445 -2.044 12.572 6.645 1.00 0.00 H new ATOM 0 HG1 THR A 445 -3.004 10.122 6.122 1.00 0.00 H new ATOM 0 HG21 THR A 445 -1.469 12.688 4.250 1.00 0.00 H new ATOM 0 HG22 THR A 445 -0.015 12.600 5.272 1.00 0.00 H new ATOM 0 HG23 THR A 445 -0.574 11.157 4.395 1.00 0.00 H new ATOM 229 N VAL A 446 0.755 9.110 6.682 1.00 0.00 N ATOM 230 CA VAL A 446 1.362 7.950 6.039 1.00 0.00 C ATOM 231 C VAL A 446 1.623 6.837 7.047 1.00 0.00 C ATOM 232 O VAL A 446 2.629 6.852 7.756 1.00 0.00 O ATOM 233 CB VAL A 446 2.686 8.322 5.346 1.00 0.00 C ATOM 234 CG1 VAL A 446 3.302 7.100 4.681 1.00 0.00 C ATOM 235 CG2 VAL A 446 2.463 9.435 4.333 1.00 0.00 C ATOM 0 H VAL A 446 1.332 9.541 7.405 1.00 0.00 H new ATOM 0 HA VAL A 446 0.655 7.597 5.289 1.00 0.00 H new ATOM 0 HB VAL A 446 3.382 8.685 6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 446 4.237 7.382 4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 446 3.499 6.337 5.434 1.00 0.00 H new ATOM 0 HG13 VAL A 446 2.612 6.705 3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 446 3.409 9.685 3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 446 1.750 9.103 3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 446 2.070 10.316 4.841 1.00 0.00 H new ATOM 245 N MET A 447 0.711 5.872 7.104 1.00 0.00 N ATOM 246 CA MET A 447 0.845 4.748 8.024 1.00 0.00 C ATOM 247 C MET A 447 1.525 3.565 7.343 1.00 0.00 C ATOM 248 O MET A 447 1.218 3.235 6.197 1.00 0.00 O ATOM 249 CB MET A 447 -0.529 4.328 8.551 1.00 0.00 C ATOM 250 CG MET A 447 -0.558 2.915 9.111 1.00 0.00 C ATOM 251 SD MET A 447 -0.714 1.661 7.824 1.00 0.00 S ATOM 252 CE MET A 447 -2.454 1.804 7.422 1.00 0.00 C ATOM 0 H MET A 447 -0.128 5.846 6.525 1.00 0.00 H new ATOM 0 HA MET A 447 1.466 5.067 8.861 1.00 0.00 H new ATOM 0 HB2 MET A 447 -0.839 5.025 9.329 1.00 0.00 H new ATOM 0 HB3 MET A 447 -1.258 4.406 7.744 1.00 0.00 H new ATOM 0 HG2 MET A 447 0.354 2.735 9.680 1.00 0.00 H new ATOM 0 HG3 MET A 447 -1.391 2.821 9.807 1.00 0.00 H new ATOM 0 HE1 MET A 447 -2.742 0.989 6.758 1.00 0.00 H new ATOM 0 HE2 MET A 447 -3.044 1.753 8.337 1.00 0.00 H new ATOM 0 HE3 MET A 447 -2.636 2.757 6.926 1.00 0.00 H new ATOM 262 N VAL A 448 2.450 2.930 8.055 1.00 0.00 N ATOM 263 CA VAL A 448 3.173 1.782 7.519 1.00 0.00 C ATOM 264 C VAL A 448 2.879 0.522 8.325 1.00 0.00 C ATOM 265 O VAL A 448 2.932 0.532 9.555 1.00 0.00 O ATOM 266 CB VAL A 448 4.693 2.030 7.512 1.00 0.00 C ATOM 267 CG1 VAL A 448 5.194 2.321 8.918 1.00 0.00 C ATOM 268 CG2 VAL A 448 5.424 0.839 6.912 1.00 0.00 C ATOM 0 H VAL A 448 2.717 3.191 9.004 1.00 0.00 H new ATOM 0 HA VAL A 448 2.830 1.642 6.494 1.00 0.00 H new ATOM 0 HB VAL A 448 4.898 2.903 6.892 1.00 0.00 H new ATOM 0 HG11 VAL A 448 6.270 2.493 8.892 1.00 0.00 H new ATOM 0 HG12 VAL A 448 4.693 3.208 9.306 1.00 0.00 H new ATOM 0 HG13 VAL A 448 4.978 1.470 9.564 1.00 0.00 H new ATOM 0 HG21 VAL A 448 6.497 1.031 6.915 1.00 0.00 H new ATOM 0 HG22 VAL A 448 5.214 -0.052 7.503 1.00 0.00 H new ATOM 0 HG23 VAL A 448 5.086 0.683 5.887 1.00 0.00 H new ATOM 278 N LEU A 449 2.569 -0.563 7.624 1.00 0.00 N ATOM 279 CA LEU A 449 2.266 -1.833 8.273 1.00 0.00 C ATOM 280 C LEU A 449 3.479 -2.758 8.253 1.00 0.00 C ATOM 281 O LEU A 449 4.133 -2.917 7.222 1.00 0.00 O ATOM 282 CB LEU A 449 1.081 -2.512 7.584 1.00 0.00 C ATOM 283 CG LEU A 449 -0.254 -1.771 7.661 1.00 0.00 C ATOM 284 CD1 LEU A 449 -1.331 -2.532 6.904 1.00 0.00 C ATOM 285 CD2 LEU A 449 -0.665 -1.563 9.112 1.00 0.00 C ATOM 0 H LEU A 449 2.521 -0.588 6.605 1.00 0.00 H new ATOM 0 HA LEU A 449 2.005 -1.628 9.311 1.00 0.00 H new ATOM 0 HB2 LEU A 449 1.332 -2.659 6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 449 0.950 -3.502 8.022 1.00 0.00 H new ATOM 0 HG LEU A 449 -0.133 -0.793 7.194 1.00 0.00 H new ATOM 0 HD11 LEU A 449 -2.274 -1.990 6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 449 -1.041 -2.629 5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 449 -1.451 -3.523 7.341 1.00 0.00 H new ATOM 0 HD21 LEU A 449 -1.617 -1.034 9.148 1.00 0.00 H new ATOM 0 HD22 LEU A 449 -0.768 -2.531 9.603 1.00 0.00 H new ATOM 0 HD23 LEU A 449 0.096 -0.975 9.625 1.00 0.00 H new ATOM 297 N ARG A 450 3.772 -3.367 9.397 1.00 0.00 N ATOM 298 CA ARG A 450 4.906 -4.277 9.510 1.00 0.00 C ATOM 299 C ARG A 450 4.472 -5.615 10.100 1.00 0.00 C ATOM 300 O ARG A 450 3.644 -5.664 11.009 1.00 0.00 O ATOM 301 CB ARG A 450 6.002 -3.655 10.377 1.00 0.00 C ATOM 302 CG ARG A 450 6.565 -2.361 9.813 1.00 0.00 C ATOM 303 CD ARG A 450 7.463 -1.659 10.820 1.00 0.00 C ATOM 304 NE ARG A 450 8.786 -2.273 10.893 1.00 0.00 N ATOM 305 CZ ARG A 450 9.068 -3.324 11.655 1.00 0.00 C ATOM 306 NH1 ARG A 450 8.123 -3.875 12.404 1.00 0.00 N ATOM 307 NH2 ARG A 450 10.296 -3.825 11.668 1.00 0.00 N ATOM 0 H ARG A 450 3.240 -3.247 10.259 1.00 0.00 H new ATOM 0 HA ARG A 450 5.301 -4.452 8.509 1.00 0.00 H new ATOM 0 HB2 ARG A 450 5.601 -3.463 11.372 1.00 0.00 H new ATOM 0 HB3 ARG A 450 6.813 -4.374 10.493 1.00 0.00 H new ATOM 0 HG2 ARG A 450 7.130 -2.574 8.906 1.00 0.00 H new ATOM 0 HG3 ARG A 450 5.746 -1.699 9.530 1.00 0.00 H new ATOM 0 HD2 ARG A 450 7.565 -0.609 10.545 1.00 0.00 H new ATOM 0 HD3 ARG A 450 6.995 -1.687 11.804 1.00 0.00 H new ATOM 0 HE ARG A 450 9.535 -1.873 10.328 1.00 0.00 H new ATOM 0 HH11 ARG A 450 7.178 -3.492 12.396 1.00 0.00 H new ATOM 0 HH12 ARG A 450 8.341 -4.682 12.988 1.00 0.00 H new ATOM 0 HH21 ARG A 450 11.025 -3.403 11.093 1.00 0.00 H new ATOM 0 HH22 ARG A 450 10.511 -4.632 12.253 1.00 0.00 H new ATOM 321 N ASN A 451 5.037 -6.698 9.577 1.00 0.00 N ATOM 322 CA ASN A 451 4.708 -8.037 10.052 1.00 0.00 C ATOM 323 C ASN A 451 3.272 -8.405 9.691 1.00 0.00 C ATOM 324 O ASN A 451 2.547 -8.983 10.499 1.00 0.00 O ATOM 325 CB ASN A 451 4.904 -8.126 11.566 1.00 0.00 C ATOM 326 CG ASN A 451 4.960 -9.560 12.059 1.00 0.00 C ATOM 327 OD1 ASN A 451 5.034 -10.498 11.265 1.00 0.00 O ATOM 328 ND2 ASN A 451 4.926 -9.735 13.375 1.00 0.00 N ATOM 0 H ASN A 451 5.725 -6.675 8.824 1.00 0.00 H new ATOM 0 HA ASN A 451 5.379 -8.744 9.564 1.00 0.00 H new ATOM 0 HB2 ASN A 451 5.826 -7.614 11.841 1.00 0.00 H new ATOM 0 HB3 ASN A 451 4.088 -7.604 12.066 1.00 0.00 H new ATOM 0 HD21 ASN A 451 4.962 -10.677 13.765 1.00 0.00 H new ATOM 0 HD22 ASN A 451 4.864 -8.928 13.995 1.00 0.00 H new ATOM 335 N MET A 452 2.869 -8.065 8.470 1.00 0.00 N ATOM 336 CA MET A 452 1.520 -8.361 8.002 1.00 0.00 C ATOM 337 C MET A 452 1.490 -9.676 7.228 1.00 0.00 C ATOM 338 O MET A 452 0.800 -10.620 7.615 1.00 0.00 O ATOM 339 CB MET A 452 1.003 -7.224 7.118 1.00 0.00 C ATOM 340 CG MET A 452 -0.390 -7.472 6.563 1.00 0.00 C ATOM 341 SD MET A 452 -1.205 -5.954 6.030 1.00 0.00 S ATOM 342 CE MET A 452 -2.391 -6.601 4.854 1.00 0.00 C ATOM 0 H MET A 452 3.457 -7.585 7.788 1.00 0.00 H new ATOM 0 HA MET A 452 0.872 -8.457 8.874 1.00 0.00 H new ATOM 0 HB2 MET A 452 0.996 -6.300 7.696 1.00 0.00 H new ATOM 0 HB3 MET A 452 1.695 -7.076 6.289 1.00 0.00 H new ATOM 0 HG2 MET A 452 -0.324 -8.160 5.720 1.00 0.00 H new ATOM 0 HG3 MET A 452 -0.999 -7.959 7.325 1.00 0.00 H new ATOM 0 HE1 MET A 452 -3.207 -5.889 4.731 1.00 0.00 H new ATOM 0 HE2 MET A 452 -1.901 -6.760 3.893 1.00 0.00 H new ATOM 0 HE3 MET A 452 -2.787 -7.548 5.221 1.00 0.00 H new ATOM 352 N VAL A 453 2.241 -9.730 6.133 1.00 0.00 N ATOM 353 CA VAL A 453 2.300 -10.929 5.305 1.00 0.00 C ATOM 354 C VAL A 453 3.712 -11.166 4.781 1.00 0.00 C ATOM 355 O VAL A 453 4.321 -10.278 4.185 1.00 0.00 O ATOM 356 CB VAL A 453 1.330 -10.837 4.112 1.00 0.00 C ATOM 357 CG1 VAL A 453 -0.109 -10.977 4.582 1.00 0.00 C ATOM 358 CG2 VAL A 453 1.530 -9.527 3.364 1.00 0.00 C ATOM 0 H VAL A 453 2.817 -8.958 5.798 1.00 0.00 H new ATOM 0 HA VAL A 453 2.005 -11.765 5.939 1.00 0.00 H new ATOM 0 HB VAL A 453 1.544 -11.657 3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -0.780 -10.909 3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -0.240 -11.943 5.070 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -0.340 -10.179 5.288 1.00 0.00 H new ATOM 0 HG21 VAL A 453 0.837 -9.478 2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 453 1.343 -8.691 4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 453 2.554 -9.472 2.993 1.00 0.00 H new ATOM 368 N ASP A 454 4.227 -12.370 5.007 1.00 0.00 N ATOM 369 CA ASP A 454 5.567 -12.725 4.556 1.00 0.00 C ATOM 370 C ASP A 454 5.759 -12.367 3.085 1.00 0.00 C ATOM 371 O ASP A 454 4.800 -12.220 2.327 1.00 0.00 O ATOM 372 CB ASP A 454 5.821 -14.218 4.768 1.00 0.00 C ATOM 373 CG ASP A 454 6.355 -14.524 6.153 1.00 0.00 C ATOM 374 OD1 ASP A 454 7.303 -13.838 6.588 1.00 0.00 O ATOM 375 OD2 ASP A 454 5.825 -15.450 6.802 1.00 0.00 O ATOM 0 H ASP A 454 3.736 -13.116 5.500 1.00 0.00 H new ATOM 0 HA ASP A 454 6.285 -12.155 5.146 1.00 0.00 H new ATOM 0 HB2 ASP A 454 4.893 -14.767 4.610 1.00 0.00 H new ATOM 0 HB3 ASP A 454 6.532 -14.572 4.021 1.00 0.00 H new ATOM 380 N PRO A 455 7.026 -12.223 2.671 1.00 0.00 N ATOM 381 CA PRO A 455 7.373 -11.880 1.289 1.00 0.00 C ATOM 382 C PRO A 455 7.082 -13.020 0.318 1.00 0.00 C ATOM 383 O PRO A 455 7.341 -12.911 -0.880 1.00 0.00 O ATOM 384 CB PRO A 455 8.878 -11.608 1.358 1.00 0.00 C ATOM 385 CG PRO A 455 9.352 -12.393 2.532 1.00 0.00 C ATOM 386 CD PRO A 455 8.218 -12.384 3.520 1.00 0.00 C ATOM 0 HA PRO A 455 6.790 -11.036 0.920 1.00 0.00 H new ATOM 0 HB2 PRO A 455 9.379 -11.923 0.443 1.00 0.00 H new ATOM 0 HB3 PRO A 455 9.083 -10.545 1.484 1.00 0.00 H new ATOM 0 HG2 PRO A 455 9.609 -13.412 2.242 1.00 0.00 H new ATOM 0 HG3 PRO A 455 10.249 -11.948 2.963 1.00 0.00 H new ATOM 0 HD2 PRO A 455 8.179 -13.309 4.095 1.00 0.00 H new ATOM 0 HD3 PRO A 455 8.315 -11.567 4.235 1.00 0.00 H new ATOM 394 N LYS A 456 6.542 -14.115 0.843 1.00 0.00 N ATOM 395 CA LYS A 456 6.214 -15.275 0.024 1.00 0.00 C ATOM 396 C LYS A 456 4.819 -15.139 -0.578 1.00 0.00 C ATOM 397 O LYS A 456 4.552 -15.641 -1.670 1.00 0.00 O ATOM 398 CB LYS A 456 6.298 -16.555 0.859 1.00 0.00 C ATOM 399 CG LYS A 456 5.315 -16.592 2.016 1.00 0.00 C ATOM 400 CD LYS A 456 5.656 -17.697 3.002 1.00 0.00 C ATOM 401 CE LYS A 456 5.266 -19.065 2.463 1.00 0.00 C ATOM 402 NZ LYS A 456 5.964 -20.164 3.185 1.00 0.00 N ATOM 0 H LYS A 456 6.322 -14.223 1.833 1.00 0.00 H new ATOM 0 HA LYS A 456 6.938 -15.331 -0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 456 6.117 -17.413 0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 456 7.310 -16.658 1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 456 5.320 -15.631 2.530 1.00 0.00 H new ATOM 0 HG3 LYS A 456 4.306 -16.744 1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 456 6.725 -17.680 3.214 1.00 0.00 H new ATOM 0 HD3 LYS A 456 5.141 -17.516 3.945 1.00 0.00 H new ATOM 0 HE2 LYS A 456 4.188 -19.198 2.554 1.00 0.00 H new ATOM 0 HE3 LYS A 456 5.505 -19.119 1.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 5.672 -21.080 2.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 6.992 -20.052 3.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 5.716 -20.129 4.194 1.00 0.00 H new ATOM 416 N ASP A 457 3.934 -14.456 0.140 1.00 0.00 N ATOM 417 CA ASP A 457 2.566 -14.252 -0.325 1.00 0.00 C ATOM 418 C ASP A 457 2.457 -12.971 -1.146 1.00 0.00 C ATOM 419 O ASP A 457 1.365 -12.434 -1.334 1.00 0.00 O ATOM 420 CB ASP A 457 1.605 -14.195 0.863 1.00 0.00 C ATOM 421 CG ASP A 457 0.190 -14.585 0.482 1.00 0.00 C ATOM 422 OD1 ASP A 457 -0.118 -15.794 0.507 1.00 0.00 O ATOM 423 OD2 ASP A 457 -0.608 -13.681 0.158 1.00 0.00 O ATOM 0 H ASP A 457 4.139 -14.034 1.046 1.00 0.00 H new ATOM 0 HA ASP A 457 2.295 -15.094 -0.962 1.00 0.00 H new ATOM 0 HB2 ASP A 457 1.963 -14.860 1.649 1.00 0.00 H new ATOM 0 HB3 ASP A 457 1.602 -13.186 1.276 1.00 0.00 H new ATOM 428 N ILE A 458 3.596 -12.487 -1.631 1.00 0.00 N ATOM 429 CA ILE A 458 3.627 -11.270 -2.432 1.00 0.00 C ATOM 430 C ILE A 458 3.068 -11.516 -3.829 1.00 0.00 C ATOM 431 O ILE A 458 3.707 -12.160 -4.660 1.00 0.00 O ATOM 432 CB ILE A 458 5.058 -10.714 -2.555 1.00 0.00 C ATOM 433 CG1 ILE A 458 5.608 -10.351 -1.174 1.00 0.00 C ATOM 434 CG2 ILE A 458 5.079 -9.502 -3.475 1.00 0.00 C ATOM 435 CD1 ILE A 458 4.896 -9.184 -0.527 1.00 0.00 C ATOM 0 H ILE A 458 4.508 -12.919 -1.483 1.00 0.00 H new ATOM 0 HA ILE A 458 3.004 -10.538 -1.918 1.00 0.00 H new ATOM 0 HB ILE A 458 5.695 -11.485 -2.988 1.00 0.00 H new ATOM 0 HG12 ILE A 458 5.531 -11.220 -0.521 1.00 0.00 H new ATOM 0 HG13 ILE A 458 6.668 -10.114 -1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 458 6.097 -9.121 -3.551 1.00 0.00 H new ATOM 0 HG22 ILE A 458 4.724 -9.790 -4.465 1.00 0.00 H new ATOM 0 HG23 ILE A 458 4.431 -8.726 -3.069 1.00 0.00 H new ATOM 0 HD11 ILE A 458 5.339 -8.983 0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 458 4.995 -8.302 -1.159 1.00 0.00 H new ATOM 0 HD13 ILE A 458 3.840 -9.425 -0.404 1.00 0.00 H new ATOM 447 N ASP A 459 1.871 -10.997 -4.081 1.00 0.00 N ATOM 448 CA ASP A 459 1.225 -11.157 -5.378 1.00 0.00 C ATOM 449 C ASP A 459 0.627 -9.837 -5.854 1.00 0.00 C ATOM 450 O ASP A 459 0.697 -8.825 -5.157 1.00 0.00 O ATOM 451 CB ASP A 459 0.136 -12.227 -5.301 1.00 0.00 C ATOM 452 CG ASP A 459 -0.602 -12.208 -3.977 1.00 0.00 C ATOM 453 OD1 ASP A 459 -1.486 -11.343 -3.803 1.00 0.00 O ATOM 454 OD2 ASP A 459 -0.295 -13.057 -3.113 1.00 0.00 O ATOM 0 H ASP A 459 1.328 -10.462 -3.403 1.00 0.00 H new ATOM 0 HA ASP A 459 1.982 -11.472 -6.097 1.00 0.00 H new ATOM 0 HB2 ASP A 459 -0.576 -12.076 -6.113 1.00 0.00 H new ATOM 0 HB3 ASP A 459 0.585 -13.209 -5.449 1.00 0.00 H new ATOM 459 N ASP A 460 0.039 -9.856 -7.046 1.00 0.00 N ATOM 460 CA ASP A 460 -0.572 -8.661 -7.615 1.00 0.00 C ATOM 461 C ASP A 460 -1.925 -8.381 -6.968 1.00 0.00 C ATOM 462 O ASP A 460 -2.280 -7.228 -6.723 1.00 0.00 O ATOM 463 CB ASP A 460 -0.739 -8.819 -9.128 1.00 0.00 C ATOM 464 CG ASP A 460 0.542 -8.526 -9.885 1.00 0.00 C ATOM 465 OD1 ASP A 460 1.184 -7.496 -9.590 1.00 0.00 O ATOM 466 OD2 ASP A 460 0.902 -9.327 -10.772 1.00 0.00 O ATOM 0 H ASP A 460 -0.027 -10.685 -7.636 1.00 0.00 H new ATOM 0 HA ASP A 460 0.087 -7.816 -7.416 1.00 0.00 H new ATOM 0 HB2 ASP A 460 -1.065 -9.835 -9.351 1.00 0.00 H new ATOM 0 HB3 ASP A 460 -1.525 -8.149 -9.476 1.00 0.00 H new ATOM 471 N ASP A 461 -2.675 -9.443 -6.696 1.00 0.00 N ATOM 472 CA ASP A 461 -3.989 -9.312 -6.077 1.00 0.00 C ATOM 473 C ASP A 461 -3.880 -8.658 -4.703 1.00 0.00 C ATOM 474 O ASP A 461 -4.685 -7.796 -4.349 1.00 0.00 O ATOM 475 CB ASP A 461 -4.657 -10.682 -5.953 1.00 0.00 C ATOM 476 CG ASP A 461 -4.416 -11.556 -7.168 1.00 0.00 C ATOM 477 OD1 ASP A 461 -4.871 -11.179 -8.269 1.00 0.00 O ATOM 478 OD2 ASP A 461 -3.774 -12.616 -7.019 1.00 0.00 O ATOM 0 H ASP A 461 -2.396 -10.404 -6.894 1.00 0.00 H new ATOM 0 HA ASP A 461 -4.602 -8.675 -6.715 1.00 0.00 H new ATOM 0 HB2 ASP A 461 -4.279 -11.188 -5.064 1.00 0.00 H new ATOM 0 HB3 ASP A 461 -5.730 -10.549 -5.812 1.00 0.00 H new ATOM 483 N LEU A 462 -2.881 -9.075 -3.933 1.00 0.00 N ATOM 484 CA LEU A 462 -2.667 -8.531 -2.597 1.00 0.00 C ATOM 485 C LEU A 462 -2.816 -7.013 -2.596 1.00 0.00 C ATOM 486 O LEU A 462 -3.606 -6.458 -1.834 1.00 0.00 O ATOM 487 CB LEU A 462 -1.279 -8.918 -2.083 1.00 0.00 C ATOM 488 CG LEU A 462 -0.924 -8.431 -0.678 1.00 0.00 C ATOM 489 CD1 LEU A 462 -1.726 -9.188 0.369 1.00 0.00 C ATOM 490 CD2 LEU A 462 0.569 -8.584 -0.422 1.00 0.00 C ATOM 0 H LEU A 462 -2.207 -9.788 -4.211 1.00 0.00 H new ATOM 0 HA LEU A 462 -3.424 -8.953 -1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 462 -1.197 -10.005 -2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 462 -0.535 -8.531 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 462 -1.179 -7.374 -0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 462 -1.459 -8.827 1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 462 -2.790 -9.027 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 462 -1.504 -10.253 0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 462 0.804 -8.232 0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 462 0.848 -9.634 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 462 1.125 -7.996 -1.152 1.00 0.00 H new ATOM 502 N GLU A 463 -2.053 -6.348 -3.458 1.00 0.00 N ATOM 503 CA GLU A 463 -2.102 -4.894 -3.557 1.00 0.00 C ATOM 504 C GLU A 463 -3.541 -4.392 -3.485 1.00 0.00 C ATOM 505 O GLU A 463 -3.866 -3.519 -2.681 1.00 0.00 O ATOM 506 CB GLU A 463 -1.452 -4.427 -4.862 1.00 0.00 C ATOM 507 CG GLU A 463 -1.357 -2.916 -4.988 1.00 0.00 C ATOM 508 CD GLU A 463 -0.257 -2.478 -5.935 1.00 0.00 C ATOM 509 OE1 GLU A 463 -0.451 -2.592 -7.164 1.00 0.00 O ATOM 510 OE2 GLU A 463 0.797 -2.020 -5.447 1.00 0.00 O ATOM 0 H GLU A 463 -1.394 -6.793 -4.097 1.00 0.00 H new ATOM 0 HA GLU A 463 -1.548 -4.479 -2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 463 -0.451 -4.853 -4.932 1.00 0.00 H new ATOM 0 HB3 GLU A 463 -2.024 -4.818 -5.703 1.00 0.00 H new ATOM 0 HG2 GLU A 463 -2.311 -2.524 -5.339 1.00 0.00 H new ATOM 0 HG3 GLU A 463 -1.178 -2.484 -4.004 1.00 0.00 H new ATOM 517 N GLY A 464 -4.400 -4.950 -4.333 1.00 0.00 N ATOM 518 CA GLY A 464 -5.794 -4.547 -4.350 1.00 0.00 C ATOM 519 C GLY A 464 -6.485 -4.794 -3.024 1.00 0.00 C ATOM 520 O GLY A 464 -7.179 -3.919 -2.507 1.00 0.00 O ATOM 0 H GLY A 464 -4.155 -5.674 -5.008 1.00 0.00 H new ATOM 0 HA2 GLY A 464 -5.860 -3.488 -4.599 1.00 0.00 H new ATOM 0 HA3 GLY A 464 -6.317 -5.092 -5.136 1.00 0.00 H new ATOM 524 N GLU A 465 -6.297 -5.989 -2.474 1.00 0.00 N ATOM 525 CA GLU A 465 -6.911 -6.349 -1.202 1.00 0.00 C ATOM 526 C GLU A 465 -6.686 -5.256 -0.161 1.00 0.00 C ATOM 527 O GLU A 465 -7.637 -4.711 0.400 1.00 0.00 O ATOM 528 CB GLU A 465 -6.345 -7.676 -0.694 1.00 0.00 C ATOM 529 CG GLU A 465 -7.062 -8.896 -1.247 1.00 0.00 C ATOM 530 CD GLU A 465 -8.463 -9.052 -0.688 1.00 0.00 C ATOM 531 OE1 GLU A 465 -8.594 -9.505 0.468 1.00 0.00 O ATOM 532 OE2 GLU A 465 -9.429 -8.721 -1.408 1.00 0.00 O ATOM 0 H GLU A 465 -5.725 -6.724 -2.889 1.00 0.00 H new ATOM 0 HA GLU A 465 -7.983 -6.458 -1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 465 -5.289 -7.735 -0.958 1.00 0.00 H new ATOM 0 HB3 GLU A 465 -6.403 -7.693 0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 465 -7.114 -8.821 -2.333 1.00 0.00 H new ATOM 0 HG3 GLU A 465 -6.481 -9.789 -1.017 1.00 0.00 H new ATOM 539 N VAL A 466 -5.420 -4.940 0.093 1.00 0.00 N ATOM 540 CA VAL A 466 -5.068 -3.913 1.066 1.00 0.00 C ATOM 541 C VAL A 466 -5.747 -2.588 0.735 1.00 0.00 C ATOM 542 O VAL A 466 -6.257 -1.901 1.621 1.00 0.00 O ATOM 543 CB VAL A 466 -3.544 -3.695 1.125 1.00 0.00 C ATOM 544 CG1 VAL A 466 -3.200 -2.597 2.121 1.00 0.00 C ATOM 545 CG2 VAL A 466 -2.835 -4.992 1.483 1.00 0.00 C ATOM 0 H VAL A 466 -4.621 -5.381 -0.362 1.00 0.00 H new ATOM 0 HA VAL A 466 -5.415 -4.264 2.038 1.00 0.00 H new ATOM 0 HB VAL A 466 -3.200 -3.379 0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -2.119 -2.457 2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -3.679 -1.666 1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -3.555 -2.880 3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -1.759 -4.820 1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -3.181 -5.339 2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -3.056 -5.747 0.729 1.00 0.00 H new ATOM 555 N THR A 467 -5.752 -2.235 -0.546 1.00 0.00 N ATOM 556 CA THR A 467 -6.368 -0.992 -0.994 1.00 0.00 C ATOM 557 C THR A 467 -7.841 -0.938 -0.606 1.00 0.00 C ATOM 558 O THR A 467 -8.290 0.018 0.025 1.00 0.00 O ATOM 559 CB THR A 467 -6.244 -0.823 -2.520 1.00 0.00 C ATOM 560 OG1 THR A 467 -4.869 -0.906 -2.913 1.00 0.00 O ATOM 561 CG2 THR A 467 -6.823 0.512 -2.965 1.00 0.00 C ATOM 0 H THR A 467 -5.336 -2.792 -1.292 1.00 0.00 H new ATOM 0 HA THR A 467 -5.835 -0.179 -0.501 1.00 0.00 H new ATOM 0 HB THR A 467 -6.807 -1.624 -2.999 1.00 0.00 H new ATOM 0 HG1 THR A 467 -4.561 -1.833 -2.832 1.00 0.00 H new ATOM 0 HG21 THR A 467 -6.724 0.609 -4.046 1.00 0.00 H new ATOM 0 HG22 THR A 467 -7.877 0.561 -2.691 1.00 0.00 H new ATOM 0 HG23 THR A 467 -6.283 1.324 -2.477 1.00 0.00 H new ATOM 569 N GLU A 468 -8.587 -1.970 -0.987 1.00 0.00 N ATOM 570 CA GLU A 468 -10.010 -2.038 -0.677 1.00 0.00 C ATOM 571 C GLU A 468 -10.247 -1.916 0.825 1.00 0.00 C ATOM 572 O GLU A 468 -11.091 -1.139 1.269 1.00 0.00 O ATOM 573 CB GLU A 468 -10.605 -3.350 -1.193 1.00 0.00 C ATOM 574 CG GLU A 468 -10.505 -3.513 -2.701 1.00 0.00 C ATOM 575 CD GLU A 468 -11.415 -4.603 -3.232 1.00 0.00 C ATOM 576 OE1 GLU A 468 -12.451 -4.875 -2.589 1.00 0.00 O ATOM 577 OE2 GLU A 468 -11.092 -5.183 -4.289 1.00 0.00 O ATOM 0 H GLU A 468 -8.230 -2.770 -1.510 1.00 0.00 H new ATOM 0 HA GLU A 468 -10.504 -1.203 -1.174 1.00 0.00 H new ATOM 0 HB2 GLU A 468 -10.095 -4.184 -0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 468 -11.653 -3.404 -0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 468 -10.757 -2.568 -3.182 1.00 0.00 H new ATOM 0 HG3 GLU A 468 -9.474 -3.743 -2.970 1.00 0.00 H new ATOM 584 N GLU A 469 -9.495 -2.690 1.602 1.00 0.00 N ATOM 585 CA GLU A 469 -9.625 -2.669 3.054 1.00 0.00 C ATOM 586 C GLU A 469 -9.378 -1.267 3.602 1.00 0.00 C ATOM 587 O GLU A 469 -10.262 -0.664 4.213 1.00 0.00 O ATOM 588 CB GLU A 469 -8.643 -3.657 3.690 1.00 0.00 C ATOM 589 CG GLU A 469 -8.919 -3.927 5.159 1.00 0.00 C ATOM 590 CD GLU A 469 -8.384 -5.271 5.615 1.00 0.00 C ATOM 591 OE1 GLU A 469 -7.184 -5.538 5.396 1.00 0.00 O ATOM 592 OE2 GLU A 469 -9.166 -6.055 6.192 1.00 0.00 O ATOM 0 H GLU A 469 -8.790 -3.338 1.250 1.00 0.00 H new ATOM 0 HA GLU A 469 -10.643 -2.965 3.307 1.00 0.00 H new ATOM 0 HB2 GLU A 469 -8.682 -4.599 3.142 1.00 0.00 H new ATOM 0 HB3 GLU A 469 -7.630 -3.269 3.584 1.00 0.00 H new ATOM 0 HG2 GLU A 469 -8.469 -3.138 5.761 1.00 0.00 H new ATOM 0 HG3 GLU A 469 -9.994 -3.889 5.336 1.00 0.00 H new ATOM 599 N CYS A 470 -8.173 -0.754 3.380 1.00 0.00 N ATOM 600 CA CYS A 470 -7.809 0.577 3.853 1.00 0.00 C ATOM 601 C CYS A 470 -8.962 1.556 3.659 1.00 0.00 C ATOM 602 O CYS A 470 -9.262 2.360 4.541 1.00 0.00 O ATOM 603 CB CYS A 470 -6.567 1.080 3.116 1.00 0.00 C ATOM 604 SG CYS A 470 -5.073 0.117 3.444 1.00 0.00 S ATOM 0 H CYS A 470 -7.431 -1.240 2.875 1.00 0.00 H new ATOM 0 HA CYS A 470 -7.588 0.510 4.918 1.00 0.00 H new ATOM 0 HB2 CYS A 470 -6.765 1.070 2.044 1.00 0.00 H new ATOM 0 HB3 CYS A 470 -6.386 2.118 3.397 1.00 0.00 H new ATOM 0 HG CYS A 470 -5.199 -1.069 2.927 1.00 0.00 H new ATOM 610 N GLY A 471 -9.605 1.484 2.497 1.00 0.00 N ATOM 611 CA GLY A 471 -10.716 2.371 2.208 1.00 0.00 C ATOM 612 C GLY A 471 -11.593 2.617 3.420 1.00 0.00 C ATOM 613 O GLY A 471 -12.068 3.732 3.637 1.00 0.00 O ATOM 0 H GLY A 471 -9.376 0.827 1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 471 -10.331 3.323 1.843 1.00 0.00 H new ATOM 0 HA3 GLY A 471 -11.320 1.943 1.408 1.00 0.00 H new ATOM 617 N LYS A 472 -11.809 1.573 4.213 1.00 0.00 N ATOM 618 CA LYS A 472 -12.635 1.680 5.410 1.00 0.00 C ATOM 619 C LYS A 472 -12.239 2.899 6.237 1.00 0.00 C ATOM 620 O LYS A 472 -13.033 3.823 6.417 1.00 0.00 O ATOM 621 CB LYS A 472 -12.506 0.412 6.258 1.00 0.00 C ATOM 622 CG LYS A 472 -13.469 -0.691 5.854 1.00 0.00 C ATOM 623 CD LYS A 472 -13.020 -1.384 4.578 1.00 0.00 C ATOM 624 CE LYS A 472 -14.030 -2.427 4.126 1.00 0.00 C ATOM 625 NZ LYS A 472 -13.428 -3.410 3.183 1.00 0.00 N ATOM 0 H LYS A 472 -11.424 0.643 4.048 1.00 0.00 H new ATOM 0 HA LYS A 472 -13.672 1.797 5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 472 -11.485 0.037 6.183 1.00 0.00 H new ATOM 0 HB3 LYS A 472 -12.676 0.666 7.304 1.00 0.00 H new ATOM 0 HG2 LYS A 472 -13.545 -1.422 6.659 1.00 0.00 H new ATOM 0 HG3 LYS A 472 -14.465 -0.271 5.710 1.00 0.00 H new ATOM 0 HD2 LYS A 472 -12.882 -0.644 3.790 1.00 0.00 H new ATOM 0 HD3 LYS A 472 -12.053 -1.859 4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 472 -14.423 -2.953 4.996 1.00 0.00 H new ATOM 0 HE3 LYS A 472 -14.873 -1.931 3.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 472 -14.148 -4.104 2.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 472 -13.075 -2.912 2.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 472 -12.640 -3.901 3.650 1.00 0.00 H new ATOM 639 N PHE A 473 -11.008 2.895 6.737 1.00 0.00 N ATOM 640 CA PHE A 473 -10.508 4.002 7.545 1.00 0.00 C ATOM 641 C PHE A 473 -10.828 5.342 6.889 1.00 0.00 C ATOM 642 O PHE A 473 -11.293 6.272 7.547 1.00 0.00 O ATOM 643 CB PHE A 473 -8.997 3.870 7.749 1.00 0.00 C ATOM 644 CG PHE A 473 -8.559 2.475 8.091 1.00 0.00 C ATOM 645 CD1 PHE A 473 -8.757 1.964 9.364 1.00 0.00 C ATOM 646 CD2 PHE A 473 -7.947 1.674 7.140 1.00 0.00 C ATOM 647 CE1 PHE A 473 -8.355 0.680 9.682 1.00 0.00 C ATOM 648 CE2 PHE A 473 -7.543 0.390 7.452 1.00 0.00 C ATOM 649 CZ PHE A 473 -7.746 -0.108 8.724 1.00 0.00 C ATOM 0 H PHE A 473 -10.338 2.138 6.597 1.00 0.00 H new ATOM 0 HA PHE A 473 -11.004 3.964 8.515 1.00 0.00 H new ATOM 0 HB2 PHE A 473 -8.486 4.190 6.841 1.00 0.00 H new ATOM 0 HB3 PHE A 473 -8.685 4.546 8.545 1.00 0.00 H new ATOM 0 HD1 PHE A 473 -9.231 2.576 10.117 1.00 0.00 H new ATOM 0 HD2 PHE A 473 -7.784 2.058 6.144 1.00 0.00 H new ATOM 0 HE1 PHE A 473 -8.517 0.293 10.677 1.00 0.00 H new ATOM 0 HE2 PHE A 473 -7.068 -0.224 6.701 1.00 0.00 H new ATOM 0 HZ PHE A 473 -7.430 -1.111 8.969 1.00 0.00 H new ATOM 659 N GLY A 474 -10.575 5.433 5.587 1.00 0.00 N ATOM 660 CA GLY A 474 -10.842 6.662 4.863 1.00 0.00 C ATOM 661 C GLY A 474 -10.471 6.564 3.397 1.00 0.00 C ATOM 662 O GLY A 474 -10.371 5.468 2.847 1.00 0.00 O ATOM 0 H GLY A 474 -10.190 4.677 5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 474 -11.900 6.909 4.951 1.00 0.00 H new ATOM 0 HA3 GLY A 474 -10.285 7.479 5.322 1.00 0.00 H new ATOM 666 N ALA A 475 -10.267 7.714 2.762 1.00 0.00 N ATOM 667 CA ALA A 475 -9.904 7.752 1.351 1.00 0.00 C ATOM 668 C ALA A 475 -8.442 7.368 1.148 1.00 0.00 C ATOM 669 O ALA A 475 -7.538 8.057 1.620 1.00 0.00 O ATOM 670 CB ALA A 475 -10.173 9.135 0.775 1.00 0.00 C ATOM 0 H ALA A 475 -10.347 8.631 3.202 1.00 0.00 H new ATOM 0 HA ALA A 475 -10.520 7.023 0.823 1.00 0.00 H new ATOM 0 HB1 ALA A 475 -9.898 9.150 -0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 475 -11.232 9.372 0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 475 -9.582 9.875 1.315 1.00 0.00 H new ATOM 676 N VAL A 476 -8.218 6.262 0.445 1.00 0.00 N ATOM 677 CA VAL A 476 -6.866 5.786 0.180 1.00 0.00 C ATOM 678 C VAL A 476 -6.146 6.697 -0.807 1.00 0.00 C ATOM 679 O VAL A 476 -6.574 6.851 -1.950 1.00 0.00 O ATOM 680 CB VAL A 476 -6.875 4.350 -0.376 1.00 0.00 C ATOM 681 CG1 VAL A 476 -5.456 3.867 -0.634 1.00 0.00 C ATOM 682 CG2 VAL A 476 -7.600 3.414 0.579 1.00 0.00 C ATOM 0 H VAL A 476 -8.956 5.679 0.049 1.00 0.00 H new ATOM 0 HA VAL A 476 -6.335 5.795 1.132 1.00 0.00 H new ATOM 0 HB VAL A 476 -7.411 4.350 -1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.483 2.850 -1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -4.975 4.523 -1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -4.892 3.881 0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -7.597 2.403 0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -7.095 3.417 1.545 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -8.629 3.750 0.707 1.00 0.00 H new ATOM 692 N ASN A 477 -5.049 7.299 -0.358 1.00 0.00 N ATOM 693 CA ASN A 477 -4.269 8.196 -1.202 1.00 0.00 C ATOM 694 C ASN A 477 -3.384 7.406 -2.163 1.00 0.00 C ATOM 695 O ASN A 477 -3.453 7.588 -3.378 1.00 0.00 O ATOM 696 CB ASN A 477 -3.407 9.120 -0.340 1.00 0.00 C ATOM 697 CG ASN A 477 -3.025 10.397 -1.065 1.00 0.00 C ATOM 698 OD1 ASN A 477 -2.416 10.358 -2.135 1.00 0.00 O ATOM 699 ND2 ASN A 477 -3.381 11.536 -0.484 1.00 0.00 N ATOM 0 H ASN A 477 -4.681 7.182 0.586 1.00 0.00 H new ATOM 0 HA ASN A 477 -4.963 8.799 -1.787 1.00 0.00 H new ATOM 0 HB2 ASN A 477 -3.948 9.371 0.572 1.00 0.00 H new ATOM 0 HB3 ASN A 477 -2.502 8.592 -0.039 1.00 0.00 H new ATOM 0 HD21 ASN A 477 -3.151 12.427 -0.924 1.00 0.00 H new ATOM 0 HD22 ASN A 477 -3.885 11.520 0.403 1.00 0.00 H new ATOM 706 N ARG A 478 -2.554 6.528 -1.608 1.00 0.00 N ATOM 707 CA ARG A 478 -1.656 5.711 -2.414 1.00 0.00 C ATOM 708 C ARG A 478 -1.142 4.517 -1.615 1.00 0.00 C ATOM 709 O ARG A 478 -1.304 4.456 -0.396 1.00 0.00 O ATOM 710 CB ARG A 478 -0.478 6.550 -2.912 1.00 0.00 C ATOM 711 CG ARG A 478 0.304 7.225 -1.797 1.00 0.00 C ATOM 712 CD ARG A 478 1.485 8.013 -2.342 1.00 0.00 C ATOM 713 NE ARG A 478 1.057 9.188 -3.097 1.00 0.00 N ATOM 714 CZ ARG A 478 0.726 9.155 -4.383 1.00 0.00 C ATOM 715 NH1 ARG A 478 0.774 8.012 -5.054 1.00 0.00 N ATOM 716 NH2 ARG A 478 0.347 10.266 -5.000 1.00 0.00 N ATOM 0 H ARG A 478 -2.485 6.365 -0.603 1.00 0.00 H new ATOM 0 HA ARG A 478 -2.216 5.338 -3.271 1.00 0.00 H new ATOM 0 HB2 ARG A 478 0.197 5.911 -3.482 1.00 0.00 H new ATOM 0 HB3 ARG A 478 -0.850 7.312 -3.597 1.00 0.00 H new ATOM 0 HG2 ARG A 478 -0.355 7.893 -1.242 1.00 0.00 H new ATOM 0 HG3 ARG A 478 0.661 6.472 -1.094 1.00 0.00 H new ATOM 0 HD2 ARG A 478 2.124 8.326 -1.516 1.00 0.00 H new ATOM 0 HD3 ARG A 478 2.086 7.369 -2.984 1.00 0.00 H new ATOM 0 HE ARG A 478 1.010 10.083 -2.610 1.00 0.00 H new ATOM 0 HH11 ARG A 478 1.066 7.156 -4.583 1.00 0.00 H new ATOM 0 HH12 ARG A 478 0.519 7.989 -6.041 1.00 0.00 H new ATOM 0 HH21 ARG A 478 0.310 11.147 -4.487 1.00 0.00 H new ATOM 0 HH22 ARG A 478 0.093 10.240 -5.988 1.00 0.00 H new ATOM 730 N VAL A 479 -0.521 3.569 -2.310 1.00 0.00 N ATOM 731 CA VAL A 479 0.017 2.377 -1.665 1.00 0.00 C ATOM 732 C VAL A 479 1.352 1.974 -2.283 1.00 0.00 C ATOM 733 O VAL A 479 1.522 2.019 -3.501 1.00 0.00 O ATOM 734 CB VAL A 479 -0.962 1.193 -1.768 1.00 0.00 C ATOM 735 CG1 VAL A 479 -0.384 -0.039 -1.088 1.00 0.00 C ATOM 736 CG2 VAL A 479 -2.309 1.562 -1.165 1.00 0.00 C ATOM 0 H VAL A 479 -0.378 3.603 -3.319 1.00 0.00 H new ATOM 0 HA VAL A 479 0.166 2.625 -0.614 1.00 0.00 H new ATOM 0 HB VAL A 479 -1.113 0.960 -2.822 1.00 0.00 H new ATOM 0 HG11 VAL A 479 -1.090 -0.865 -1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 479 0.555 -0.314 -1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 479 -0.202 0.178 -0.035 1.00 0.00 H new ATOM 0 HG21 VAL A 479 -2.989 0.714 -1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 479 -2.178 1.823 -0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 479 -2.727 2.414 -1.701 1.00 0.00 H new ATOM 746 N ILE A 480 2.295 1.580 -1.434 1.00 0.00 N ATOM 747 CA ILE A 480 3.614 1.167 -1.896 1.00 0.00 C ATOM 748 C ILE A 480 4.095 -0.073 -1.151 1.00 0.00 C ATOM 749 O ILE A 480 3.876 -0.209 0.053 1.00 0.00 O ATOM 750 CB ILE A 480 4.651 2.293 -1.719 1.00 0.00 C ATOM 751 CG1 ILE A 480 4.233 3.530 -2.516 1.00 0.00 C ATOM 752 CG2 ILE A 480 6.029 1.816 -2.152 1.00 0.00 C ATOM 753 CD1 ILE A 480 4.998 4.779 -2.137 1.00 0.00 C ATOM 0 H ILE A 480 2.170 1.538 -0.423 1.00 0.00 H new ATOM 0 HA ILE A 480 3.518 0.936 -2.957 1.00 0.00 H new ATOM 0 HB ILE A 480 4.697 2.563 -0.664 1.00 0.00 H new ATOM 0 HG12 ILE A 480 4.377 3.334 -3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 480 3.168 3.706 -2.366 1.00 0.00 H new ATOM 0 HG21 ILE A 480 6.751 2.622 -2.021 1.00 0.00 H new ATOM 0 HG22 ILE A 480 6.326 0.961 -1.544 1.00 0.00 H new ATOM 0 HG23 ILE A 480 5.999 1.522 -3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 480 4.650 5.616 -2.742 1.00 0.00 H new ATOM 0 HD12 ILE A 480 4.834 5.000 -1.082 1.00 0.00 H new ATOM 0 HD13 ILE A 480 6.062 4.622 -2.314 1.00 0.00 H new ATOM 765 N ILE A 481 4.751 -0.974 -1.874 1.00 0.00 N ATOM 766 CA ILE A 481 5.265 -2.202 -1.280 1.00 0.00 C ATOM 767 C ILE A 481 6.781 -2.286 -1.418 1.00 0.00 C ATOM 768 O ILE A 481 7.303 -2.560 -2.499 1.00 0.00 O ATOM 769 CB ILE A 481 4.632 -3.448 -1.927 1.00 0.00 C ATOM 770 CG1 ILE A 481 3.111 -3.418 -1.764 1.00 0.00 C ATOM 771 CG2 ILE A 481 5.212 -4.714 -1.315 1.00 0.00 C ATOM 772 CD1 ILE A 481 2.388 -4.403 -2.655 1.00 0.00 C ATOM 0 H ILE A 481 4.939 -0.877 -2.872 1.00 0.00 H new ATOM 0 HA ILE A 481 4.999 -2.177 -0.223 1.00 0.00 H new ATOM 0 HB ILE A 481 4.863 -3.444 -2.992 1.00 0.00 H new ATOM 0 HG12 ILE A 481 2.861 -3.630 -0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 481 2.750 -2.412 -1.980 1.00 0.00 H new ATOM 0 HG21 ILE A 481 4.755 -5.586 -1.782 1.00 0.00 H new ATOM 0 HG22 ILE A 481 6.289 -4.737 -1.479 1.00 0.00 H new ATOM 0 HG23 ILE A 481 5.008 -4.727 -0.244 1.00 0.00 H new ATOM 0 HD11 ILE A 481 1.314 -4.326 -2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 481 2.608 -4.179 -3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 481 2.720 -5.415 -2.423 1.00 0.00 H new ATOM 784 N TYR A 482 7.484 -2.050 -0.315 1.00 0.00 N ATOM 785 CA TYR A 482 8.941 -2.098 -0.313 1.00 0.00 C ATOM 786 C TYR A 482 9.444 -3.320 0.450 1.00 0.00 C ATOM 787 O TYR A 482 8.988 -3.605 1.557 1.00 0.00 O ATOM 788 CB TYR A 482 9.513 -0.823 0.309 1.00 0.00 C ATOM 789 CG TYR A 482 10.903 -0.483 -0.179 1.00 0.00 C ATOM 790 CD1 TYR A 482 11.111 -0.005 -1.467 1.00 0.00 C ATOM 791 CD2 TYR A 482 12.009 -0.640 0.648 1.00 0.00 C ATOM 792 CE1 TYR A 482 12.379 0.307 -1.917 1.00 0.00 C ATOM 793 CE2 TYR A 482 13.281 -0.329 0.206 1.00 0.00 C ATOM 794 CZ TYR A 482 13.461 0.144 -1.077 1.00 0.00 C ATOM 795 OH TYR A 482 14.726 0.453 -1.521 1.00 0.00 O ATOM 0 H TYR A 482 7.068 -1.824 0.588 1.00 0.00 H new ATOM 0 HA TYR A 482 9.279 -2.173 -1.347 1.00 0.00 H new ATOM 0 HB2 TYR A 482 8.846 0.010 0.088 1.00 0.00 H new ATOM 0 HB3 TYR A 482 9.535 -0.936 1.393 1.00 0.00 H new ATOM 0 HD1 TYR A 482 10.267 0.125 -2.128 1.00 0.00 H new ATOM 0 HD2 TYR A 482 11.872 -1.011 1.653 1.00 0.00 H new ATOM 0 HE1 TYR A 482 12.523 0.677 -2.922 1.00 0.00 H new ATOM 0 HE2 TYR A 482 14.130 -0.456 0.862 1.00 0.00 H new ATOM 0 HH TYR A 482 15.374 0.282 -0.806 1.00 0.00 H new ATOM 805 N GLN A 483 10.388 -4.038 -0.151 1.00 0.00 N ATOM 806 CA GLN A 483 10.954 -5.229 0.471 1.00 0.00 C ATOM 807 C GLN A 483 12.449 -5.333 0.189 1.00 0.00 C ATOM 808 O GLN A 483 12.880 -5.246 -0.960 1.00 0.00 O ATOM 809 CB GLN A 483 10.239 -6.483 -0.035 1.00 0.00 C ATOM 810 CG GLN A 483 10.384 -6.703 -1.532 1.00 0.00 C ATOM 811 CD GLN A 483 9.192 -7.419 -2.135 1.00 0.00 C ATOM 812 OE1 GLN A 483 8.436 -6.841 -2.917 1.00 0.00 O ATOM 813 NE2 GLN A 483 9.016 -8.685 -1.775 1.00 0.00 N ATOM 0 H GLN A 483 10.777 -3.816 -1.067 1.00 0.00 H new ATOM 0 HA GLN A 483 10.811 -5.148 1.549 1.00 0.00 H new ATOM 0 HB2 GLN A 483 10.632 -7.353 0.491 1.00 0.00 H new ATOM 0 HB3 GLN A 483 9.180 -6.412 0.213 1.00 0.00 H new ATOM 0 HG2 GLN A 483 10.512 -5.740 -2.026 1.00 0.00 H new ATOM 0 HG3 GLN A 483 11.287 -7.283 -1.724 1.00 0.00 H new ATOM 0 HE21 GLN A 483 9.666 -9.125 -1.124 1.00 0.00 H new ATOM 0 HE22 GLN A 483 8.230 -9.217 -2.149 1.00 0.00 H new ATOM 822 N GLU A 484 13.234 -5.518 1.245 1.00 0.00 N ATOM 823 CA GLU A 484 14.682 -5.632 1.109 1.00 0.00 C ATOM 824 C GLU A 484 15.254 -6.575 2.164 1.00 0.00 C ATOM 825 O GLU A 484 14.599 -6.884 3.159 1.00 0.00 O ATOM 826 CB GLU A 484 15.338 -4.255 1.231 1.00 0.00 C ATOM 827 CG GLU A 484 16.798 -4.238 0.812 1.00 0.00 C ATOM 828 CD GLU A 484 17.030 -4.915 -0.524 1.00 0.00 C ATOM 829 OE1 GLU A 484 16.115 -4.883 -1.373 1.00 0.00 O ATOM 830 OE2 GLU A 484 18.128 -5.478 -0.721 1.00 0.00 O ATOM 0 H GLU A 484 12.893 -5.592 2.203 1.00 0.00 H new ATOM 0 HA GLU A 484 14.898 -6.043 0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 484 14.785 -3.543 0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 484 15.261 -3.915 2.264 1.00 0.00 H new ATOM 0 HG2 GLU A 484 17.144 -3.206 0.757 1.00 0.00 H new ATOM 0 HG3 GLU A 484 17.397 -4.735 1.575 1.00 0.00 H new ATOM 837 N LYS A 485 16.482 -7.030 1.937 1.00 0.00 N ATOM 838 CA LYS A 485 17.145 -7.938 2.866 1.00 0.00 C ATOM 839 C LYS A 485 17.565 -7.205 4.136 1.00 0.00 C ATOM 840 O LYS A 485 18.108 -6.102 4.076 1.00 0.00 O ATOM 841 CB LYS A 485 18.370 -8.573 2.203 1.00 0.00 C ATOM 842 CG LYS A 485 18.841 -9.844 2.889 1.00 0.00 C ATOM 843 CD LYS A 485 19.790 -10.635 2.005 1.00 0.00 C ATOM 844 CE LYS A 485 19.748 -12.120 2.332 1.00 0.00 C ATOM 845 NZ LYS A 485 18.664 -12.822 1.590 1.00 0.00 N ATOM 0 H LYS A 485 17.038 -6.785 1.118 1.00 0.00 H new ATOM 0 HA LYS A 485 16.438 -8.722 3.136 1.00 0.00 H new ATOM 0 HB2 LYS A 485 18.135 -8.797 1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 485 19.185 -7.850 2.197 1.00 0.00 H new ATOM 0 HG2 LYS A 485 19.340 -9.590 3.824 1.00 0.00 H new ATOM 0 HG3 LYS A 485 17.980 -10.462 3.144 1.00 0.00 H new ATOM 0 HD2 LYS A 485 19.525 -10.484 0.958 1.00 0.00 H new ATOM 0 HD3 LYS A 485 20.806 -10.261 2.134 1.00 0.00 H new ATOM 0 HE2 LYS A 485 20.708 -12.573 2.086 1.00 0.00 H new ATOM 0 HE3 LYS A 485 19.598 -12.252 3.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 485 18.985 -13.776 1.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 485 17.821 -12.895 2.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 485 18.428 -12.286 0.730 1.00 0.00 H new ATOM 950 N GLU A 493 16.677 -13.376 6.501 1.00 0.00 N ATOM 951 CA GLU A 493 15.235 -13.178 6.416 1.00 0.00 C ATOM 952 C GLU A 493 14.904 -11.937 5.591 1.00 0.00 C ATOM 953 O GLU A 493 15.705 -11.006 5.503 1.00 0.00 O ATOM 954 CB GLU A 493 14.632 -13.048 7.816 1.00 0.00 C ATOM 955 CG GLU A 493 13.132 -12.804 7.813 1.00 0.00 C ATOM 956 CD GLU A 493 12.484 -13.137 9.142 1.00 0.00 C ATOM 957 OE1 GLU A 493 12.866 -14.159 9.750 1.00 0.00 O ATOM 958 OE2 GLU A 493 11.593 -12.376 9.575 1.00 0.00 O ATOM 0 HA GLU A 493 14.803 -14.048 5.922 1.00 0.00 H new ATOM 0 HB2 GLU A 493 14.842 -13.957 8.379 1.00 0.00 H new ATOM 0 HB3 GLU A 493 15.124 -12.228 8.339 1.00 0.00 H new ATOM 0 HG2 GLU A 493 12.938 -11.759 7.570 1.00 0.00 H new ATOM 0 HG3 GLU A 493 12.672 -13.404 7.028 1.00 0.00 H new ATOM 965 N ILE A 494 13.719 -11.933 4.989 1.00 0.00 N ATOM 966 CA ILE A 494 13.282 -10.808 4.172 1.00 0.00 C ATOM 967 C ILE A 494 12.016 -10.176 4.739 1.00 0.00 C ATOM 968 O ILE A 494 11.018 -10.860 4.970 1.00 0.00 O ATOM 969 CB ILE A 494 13.021 -11.237 2.716 1.00 0.00 C ATOM 970 CG1 ILE A 494 14.282 -11.856 2.110 1.00 0.00 C ATOM 971 CG2 ILE A 494 12.558 -10.047 1.888 1.00 0.00 C ATOM 972 CD1 ILE A 494 15.466 -10.916 2.088 1.00 0.00 C ATOM 0 H ILE A 494 13.045 -12.696 5.052 1.00 0.00 H new ATOM 0 HA ILE A 494 14.089 -10.075 4.187 1.00 0.00 H new ATOM 0 HB ILE A 494 12.231 -11.988 2.710 1.00 0.00 H new ATOM 0 HG12 ILE A 494 14.547 -12.748 2.677 1.00 0.00 H new ATOM 0 HG13 ILE A 494 14.065 -12.178 1.092 1.00 0.00 H new ATOM 0 HG21 ILE A 494 12.378 -10.366 0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 494 11.637 -9.646 2.311 1.00 0.00 H new ATOM 0 HG23 ILE A 494 13.328 -9.275 1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 494 16.324 -11.422 1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 494 15.220 -10.034 1.496 1.00 0.00 H new ATOM 0 HD13 ILE A 494 15.709 -10.613 3.106 1.00 0.00 H new ATOM 984 N ILE A 495 12.062 -8.866 4.960 1.00 0.00 N ATOM 985 CA ILE A 495 10.917 -8.142 5.498 1.00 0.00 C ATOM 986 C ILE A 495 10.172 -7.396 4.396 1.00 0.00 C ATOM 987 O ILE A 495 10.740 -7.084 3.349 1.00 0.00 O ATOM 988 CB ILE A 495 11.346 -7.137 6.583 1.00 0.00 C ATOM 989 CG1 ILE A 495 12.219 -6.037 5.974 1.00 0.00 C ATOM 990 CG2 ILE A 495 12.088 -7.850 7.702 1.00 0.00 C ATOM 991 CD1 ILE A 495 11.432 -4.997 5.207 1.00 0.00 C ATOM 0 H ILE A 495 12.880 -8.285 4.775 1.00 0.00 H new ATOM 0 HA ILE A 495 10.255 -8.884 5.943 1.00 0.00 H new ATOM 0 HB ILE A 495 10.452 -6.675 7.003 1.00 0.00 H new ATOM 0 HG12 ILE A 495 12.777 -5.544 6.770 1.00 0.00 H new ATOM 0 HG13 ILE A 495 12.951 -6.493 5.307 1.00 0.00 H new ATOM 0 HG21 ILE A 495 12.385 -7.126 8.461 1.00 0.00 H new ATOM 0 HG22 ILE A 495 11.436 -8.600 8.151 1.00 0.00 H new ATOM 0 HG23 ILE A 495 12.976 -8.336 7.298 1.00 0.00 H new ATOM 0 HD11 ILE A 495 12.114 -4.249 4.803 1.00 0.00 H new ATOM 0 HD12 ILE A 495 10.895 -5.477 4.389 1.00 0.00 H new ATOM 0 HD13 ILE A 495 10.719 -4.514 5.875 1.00 0.00 H new ATOM 1003 N VAL A 496 8.896 -7.112 4.639 1.00 0.00 N ATOM 1004 CA VAL A 496 8.073 -6.400 3.669 1.00 0.00 C ATOM 1005 C VAL A 496 7.318 -5.251 4.327 1.00 0.00 C ATOM 1006 O VAL A 496 6.393 -5.468 5.110 1.00 0.00 O ATOM 1007 CB VAL A 496 7.061 -7.343 2.992 1.00 0.00 C ATOM 1008 CG1 VAL A 496 6.201 -6.579 1.997 1.00 0.00 C ATOM 1009 CG2 VAL A 496 7.782 -8.497 2.310 1.00 0.00 C ATOM 0 H VAL A 496 8.410 -7.364 5.500 1.00 0.00 H new ATOM 0 HA VAL A 496 8.749 -6.001 2.913 1.00 0.00 H new ATOM 0 HB VAL A 496 6.406 -7.756 3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 496 5.492 -7.262 1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 496 5.656 -5.791 2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 496 6.837 -6.136 1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 496 7.052 -9.153 1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 496 8.462 -8.105 1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 496 8.350 -9.060 3.051 1.00 0.00 H new ATOM 1019 N LYS A 497 7.718 -4.026 4.004 1.00 0.00 N ATOM 1020 CA LYS A 497 7.079 -2.839 4.562 1.00 0.00 C ATOM 1021 C LYS A 497 5.966 -2.340 3.647 1.00 0.00 C ATOM 1022 O LYS A 497 6.197 -2.058 2.470 1.00 0.00 O ATOM 1023 CB LYS A 497 8.113 -1.732 4.777 1.00 0.00 C ATOM 1024 CG LYS A 497 9.099 -2.028 5.894 1.00 0.00 C ATOM 1025 CD LYS A 497 10.001 -0.837 6.172 1.00 0.00 C ATOM 1026 CE LYS A 497 11.046 -1.164 7.228 1.00 0.00 C ATOM 1027 NZ LYS A 497 11.667 0.066 7.793 1.00 0.00 N ATOM 0 H LYS A 497 8.482 -3.829 3.358 1.00 0.00 H new ATOM 0 HA LYS A 497 6.641 -3.110 5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 497 8.664 -1.576 3.849 1.00 0.00 H new ATOM 0 HB3 LYS A 497 7.594 -0.800 5.000 1.00 0.00 H new ATOM 0 HG2 LYS A 497 8.555 -2.293 6.800 1.00 0.00 H new ATOM 0 HG3 LYS A 497 9.707 -2.891 5.624 1.00 0.00 H new ATOM 0 HD2 LYS A 497 10.497 -0.532 5.250 1.00 0.00 H new ATOM 0 HD3 LYS A 497 9.398 0.008 6.505 1.00 0.00 H new ATOM 0 HE2 LYS A 497 10.584 -1.739 8.030 1.00 0.00 H new ATOM 0 HE3 LYS A 497 11.820 -1.794 6.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 497 12.373 -0.199 8.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 497 12.130 0.602 7.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 497 10.932 0.655 8.234 1.00 0.00 H new ATOM 1041 N ILE A 498 4.760 -2.231 4.194 1.00 0.00 N ATOM 1042 CA ILE A 498 3.613 -1.763 3.427 1.00 0.00 C ATOM 1043 C ILE A 498 3.246 -0.332 3.805 1.00 0.00 C ATOM 1044 O ILE A 498 2.799 -0.069 4.922 1.00 0.00 O ATOM 1045 CB ILE A 498 2.386 -2.669 3.639 1.00 0.00 C ATOM 1046 CG1 ILE A 498 2.719 -4.113 3.257 1.00 0.00 C ATOM 1047 CG2 ILE A 498 1.204 -2.160 2.828 1.00 0.00 C ATOM 1048 CD1 ILE A 498 1.707 -5.120 3.758 1.00 0.00 C ATOM 0 H ILE A 498 4.552 -2.461 5.166 1.00 0.00 H new ATOM 0 HA ILE A 498 3.901 -1.796 2.376 1.00 0.00 H new ATOM 0 HB ILE A 498 2.114 -2.645 4.694 1.00 0.00 H new ATOM 0 HG12 ILE A 498 2.786 -4.187 2.172 1.00 0.00 H new ATOM 0 HG13 ILE A 498 3.701 -4.368 3.655 1.00 0.00 H new ATOM 0 HG21 ILE A 498 0.345 -2.811 2.989 1.00 0.00 H new ATOM 0 HG22 ILE A 498 0.955 -1.147 3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 498 1.464 -2.157 1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 498 2.007 -6.122 3.450 1.00 0.00 H new ATOM 0 HD12 ILE A 498 1.656 -5.075 4.846 1.00 0.00 H new ATOM 0 HD13 ILE A 498 0.727 -4.890 3.339 1.00 0.00 H new ATOM 1060 N PHE A 499 3.435 0.589 2.867 1.00 0.00 N ATOM 1061 CA PHE A 499 3.123 1.994 3.101 1.00 0.00 C ATOM 1062 C PHE A 499 1.723 2.332 2.595 1.00 0.00 C ATOM 1063 O PHE A 499 1.360 1.994 1.468 1.00 0.00 O ATOM 1064 CB PHE A 499 4.156 2.890 2.413 1.00 0.00 C ATOM 1065 CG PHE A 499 5.573 2.571 2.793 1.00 0.00 C ATOM 1066 CD1 PHE A 499 6.182 1.411 2.341 1.00 0.00 C ATOM 1067 CD2 PHE A 499 6.298 3.430 3.604 1.00 0.00 C ATOM 1068 CE1 PHE A 499 7.486 1.114 2.689 1.00 0.00 C ATOM 1069 CE2 PHE A 499 7.602 3.139 3.954 1.00 0.00 C ATOM 1070 CZ PHE A 499 8.197 1.979 3.497 1.00 0.00 C ATOM 0 H PHE A 499 3.803 0.388 1.937 1.00 0.00 H new ATOM 0 HA PHE A 499 3.155 2.173 4.176 1.00 0.00 H new ATOM 0 HB2 PHE A 499 4.047 2.793 1.333 1.00 0.00 H new ATOM 0 HB3 PHE A 499 3.947 3.930 2.662 1.00 0.00 H new ATOM 0 HD1 PHE A 499 5.631 0.731 1.709 1.00 0.00 H new ATOM 0 HD2 PHE A 499 5.838 4.337 3.966 1.00 0.00 H new ATOM 0 HE1 PHE A 499 7.948 0.207 2.329 1.00 0.00 H new ATOM 0 HE2 PHE A 499 8.156 3.818 4.585 1.00 0.00 H new ATOM 0 HZ PHE A 499 9.216 1.749 3.771 1.00 0.00 H new ATOM 1080 N VAL A 500 0.942 3.001 3.437 1.00 0.00 N ATOM 1081 CA VAL A 500 -0.418 3.386 3.076 1.00 0.00 C ATOM 1082 C VAL A 500 -0.695 4.838 3.448 1.00 0.00 C ATOM 1083 O VAL A 500 -0.751 5.187 4.626 1.00 0.00 O ATOM 1084 CB VAL A 500 -1.458 2.483 3.766 1.00 0.00 C ATOM 1085 CG1 VAL A 500 -2.868 2.959 3.454 1.00 0.00 C ATOM 1086 CG2 VAL A 500 -1.270 1.034 3.342 1.00 0.00 C ATOM 0 H VAL A 500 1.227 3.288 4.373 1.00 0.00 H new ATOM 0 HA VAL A 500 -0.505 3.268 1.996 1.00 0.00 H new ATOM 0 HB VAL A 500 -1.309 2.545 4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 500 -3.589 2.309 3.950 1.00 0.00 H new ATOM 0 HG12 VAL A 500 -2.994 3.981 3.811 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -3.032 2.928 2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 500 -2.013 0.410 3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 500 -1.391 0.952 2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 500 -0.271 0.700 3.621 1.00 0.00 H new ATOM 1096 N GLU A 501 -0.868 5.680 2.434 1.00 0.00 N ATOM 1097 CA GLU A 501 -1.139 7.095 2.655 1.00 0.00 C ATOM 1098 C GLU A 501 -2.601 7.421 2.363 1.00 0.00 C ATOM 1099 O GLU A 501 -3.188 6.897 1.416 1.00 0.00 O ATOM 1100 CB GLU A 501 -0.228 7.955 1.776 1.00 0.00 C ATOM 1101 CG GLU A 501 -0.419 9.449 1.980 1.00 0.00 C ATOM 1102 CD GLU A 501 0.400 10.279 1.011 1.00 0.00 C ATOM 1103 OE1 GLU A 501 0.401 9.953 -0.195 1.00 0.00 O ATOM 1104 OE2 GLU A 501 1.038 11.255 1.457 1.00 0.00 O ATOM 0 H GLU A 501 -0.825 5.407 1.452 1.00 0.00 H new ATOM 0 HA GLU A 501 -0.937 7.318 3.703 1.00 0.00 H new ATOM 0 HB2 GLU A 501 0.811 7.698 1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 501 -0.413 7.713 0.729 1.00 0.00 H new ATOM 0 HG2 GLU A 501 -1.474 9.696 1.863 1.00 0.00 H new ATOM 0 HG3 GLU A 501 -0.142 9.711 3.001 1.00 0.00 H new ATOM 1111 N PHE A 502 -3.183 8.290 3.183 1.00 0.00 N ATOM 1112 CA PHE A 502 -4.576 8.685 3.015 1.00 0.00 C ATOM 1113 C PHE A 502 -4.685 10.175 2.704 1.00 0.00 C ATOM 1114 O PHE A 502 -3.701 10.910 2.781 1.00 0.00 O ATOM 1115 CB PHE A 502 -5.378 8.356 4.276 1.00 0.00 C ATOM 1116 CG PHE A 502 -5.475 6.884 4.557 1.00 0.00 C ATOM 1117 CD1 PHE A 502 -4.505 6.244 5.312 1.00 0.00 C ATOM 1118 CD2 PHE A 502 -6.537 6.141 4.068 1.00 0.00 C ATOM 1119 CE1 PHE A 502 -4.592 4.890 5.571 1.00 0.00 C ATOM 1120 CE2 PHE A 502 -6.629 4.786 4.325 1.00 0.00 C ATOM 1121 CZ PHE A 502 -5.656 4.160 5.078 1.00 0.00 C ATOM 0 H PHE A 502 -2.711 8.734 3.971 1.00 0.00 H new ATOM 0 HA PHE A 502 -4.987 8.125 2.175 1.00 0.00 H new ATOM 0 HB2 PHE A 502 -4.916 8.851 5.130 1.00 0.00 H new ATOM 0 HB3 PHE A 502 -6.383 8.766 4.175 1.00 0.00 H new ATOM 0 HD1 PHE A 502 -3.672 6.810 5.702 1.00 0.00 H new ATOM 0 HD2 PHE A 502 -7.302 6.626 3.479 1.00 0.00 H new ATOM 0 HE1 PHE A 502 -3.828 4.402 6.159 1.00 0.00 H new ATOM 0 HE2 PHE A 502 -7.461 4.218 3.937 1.00 0.00 H new ATOM 0 HZ PHE A 502 -5.727 3.102 5.281 1.00 0.00 H new ATOM 1131 N SER A 503 -5.889 10.614 2.350 1.00 0.00 N ATOM 1132 CA SER A 503 -6.127 12.015 2.023 1.00 0.00 C ATOM 1133 C SER A 503 -5.753 12.917 3.194 1.00 0.00 C ATOM 1134 O SER A 503 -5.068 13.926 3.021 1.00 0.00 O ATOM 1135 CB SER A 503 -7.594 12.230 1.646 1.00 0.00 C ATOM 1136 OG SER A 503 -7.851 11.790 0.323 1.00 0.00 O ATOM 0 H SER A 503 -6.715 10.019 2.282 1.00 0.00 H new ATOM 0 HA SER A 503 -5.499 12.276 1.171 1.00 0.00 H new ATOM 0 HB2 SER A 503 -8.235 11.690 2.343 1.00 0.00 H new ATOM 0 HB3 SER A 503 -7.845 13.287 1.736 1.00 0.00 H new ATOM 0 HG SER A 503 -8.796 11.937 0.107 1.00 0.00 H new ATOM 1142 N ILE A 504 -6.208 12.548 4.386 1.00 0.00 N ATOM 1143 CA ILE A 504 -5.921 13.323 5.587 1.00 0.00 C ATOM 1144 C ILE A 504 -5.242 12.463 6.647 1.00 0.00 C ATOM 1145 O ILE A 504 -5.290 11.234 6.589 1.00 0.00 O ATOM 1146 CB ILE A 504 -7.203 13.934 6.182 1.00 0.00 C ATOM 1147 CG1 ILE A 504 -8.269 12.853 6.372 1.00 0.00 C ATOM 1148 CG2 ILE A 504 -7.724 15.048 5.287 1.00 0.00 C ATOM 1149 CD1 ILE A 504 -9.506 13.345 7.091 1.00 0.00 C ATOM 0 H ILE A 504 -6.777 11.717 4.546 1.00 0.00 H new ATOM 0 HA ILE A 504 -5.248 14.128 5.290 1.00 0.00 H new ATOM 0 HB ILE A 504 -6.966 14.359 7.157 1.00 0.00 H new ATOM 0 HG12 ILE A 504 -8.557 12.462 5.396 1.00 0.00 H new ATOM 0 HG13 ILE A 504 -7.838 12.024 6.933 1.00 0.00 H new ATOM 0 HG21 ILE A 504 -8.630 15.470 5.721 1.00 0.00 H new ATOM 0 HG22 ILE A 504 -6.967 15.828 5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 504 -7.948 14.646 4.299 1.00 0.00 H new ATOM 0 HD11 ILE A 504 -10.219 12.526 7.191 1.00 0.00 H new ATOM 0 HD12 ILE A 504 -9.231 13.709 8.081 1.00 0.00 H new ATOM 0 HD13 ILE A 504 -9.961 14.155 6.520 1.00 0.00 H new ATOM 1161 N ALA A 505 -4.611 13.117 7.617 1.00 0.00 N ATOM 1162 CA ALA A 505 -3.925 12.412 8.693 1.00 0.00 C ATOM 1163 C ALA A 505 -4.919 11.702 9.606 1.00 0.00 C ATOM 1164 O ALA A 505 -4.688 10.570 10.031 1.00 0.00 O ATOM 1165 CB ALA A 505 -3.067 13.380 9.495 1.00 0.00 C ATOM 0 H ALA A 505 -4.561 14.134 7.680 1.00 0.00 H new ATOM 0 HA ALA A 505 -3.280 11.656 8.245 1.00 0.00 H new ATOM 0 HB1 ALA A 505 -2.561 12.840 10.295 1.00 0.00 H new ATOM 0 HB2 ALA A 505 -2.326 13.838 8.840 1.00 0.00 H new ATOM 0 HB3 ALA A 505 -3.700 14.156 9.925 1.00 0.00 H new ATOM 1171 N SER A 506 -6.026 12.375 9.903 1.00 0.00 N ATOM 1172 CA SER A 506 -7.054 11.809 10.770 1.00 0.00 C ATOM 1173 C SER A 506 -7.331 10.354 10.406 1.00 0.00 C ATOM 1174 O SER A 506 -7.099 9.448 11.206 1.00 0.00 O ATOM 1175 CB SER A 506 -8.343 12.627 10.667 1.00 0.00 C ATOM 1176 OG SER A 506 -9.195 12.377 11.772 1.00 0.00 O ATOM 0 H SER A 506 -6.234 13.312 9.557 1.00 0.00 H new ATOM 0 HA SER A 506 -6.690 11.845 11.797 1.00 0.00 H new ATOM 0 HB2 SER A 506 -8.101 13.689 10.623 1.00 0.00 H new ATOM 0 HB3 SER A 506 -8.861 12.380 9.741 1.00 0.00 H new ATOM 0 HG SER A 506 -10.011 12.913 11.684 1.00 0.00 H new ATOM 1182 N GLU A 507 -7.830 10.138 9.192 1.00 0.00 N ATOM 1183 CA GLU A 507 -8.139 8.793 8.722 1.00 0.00 C ATOM 1184 C GLU A 507 -6.984 7.838 9.006 1.00 0.00 C ATOM 1185 O GLU A 507 -7.186 6.732 9.509 1.00 0.00 O ATOM 1186 CB GLU A 507 -8.444 8.811 7.223 1.00 0.00 C ATOM 1187 CG GLU A 507 -9.660 9.646 6.858 1.00 0.00 C ATOM 1188 CD GLU A 507 -10.808 9.459 7.831 1.00 0.00 C ATOM 1189 OE1 GLU A 507 -10.759 10.053 8.928 1.00 0.00 O ATOM 1190 OE2 GLU A 507 -11.756 8.720 7.494 1.00 0.00 O ATOM 0 H GLU A 507 -8.028 10.877 8.517 1.00 0.00 H new ATOM 0 HA GLU A 507 -9.019 8.441 9.261 1.00 0.00 H new ATOM 0 HB2 GLU A 507 -7.576 9.197 6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 507 -8.600 7.788 6.881 1.00 0.00 H new ATOM 0 HG2 GLU A 507 -9.379 10.699 6.831 1.00 0.00 H new ATOM 0 HG3 GLU A 507 -9.992 9.379 5.855 1.00 0.00 H new ATOM 1197 N THR A 508 -5.770 8.273 8.681 1.00 0.00 N ATOM 1198 CA THR A 508 -4.582 7.457 8.899 1.00 0.00 C ATOM 1199 C THR A 508 -4.452 7.056 10.364 1.00 0.00 C ATOM 1200 O THR A 508 -4.462 5.870 10.696 1.00 0.00 O ATOM 1201 CB THR A 508 -3.304 8.200 8.466 1.00 0.00 C ATOM 1202 OG1 THR A 508 -3.399 8.575 7.087 1.00 0.00 O ATOM 1203 CG2 THR A 508 -2.075 7.329 8.676 1.00 0.00 C ATOM 0 H THR A 508 -5.584 9.186 8.266 1.00 0.00 H new ATOM 0 HA THR A 508 -4.697 6.561 8.289 1.00 0.00 H new ATOM 0 HB THR A 508 -3.205 9.095 9.080 1.00 0.00 H new ATOM 0 HG1 THR A 508 -4.002 7.959 6.621 1.00 0.00 H new ATOM 0 HG21 THR A 508 -1.185 7.875 8.363 1.00 0.00 H new ATOM 0 HG22 THR A 508 -1.989 7.069 9.731 1.00 0.00 H new ATOM 0 HG23 THR A 508 -2.169 6.418 8.084 1.00 0.00 H new ATOM 1211 N HIS A 509 -4.331 8.051 11.236 1.00 0.00 N ATOM 1212 CA HIS A 509 -4.200 7.801 12.667 1.00 0.00 C ATOM 1213 C HIS A 509 -5.146 6.691 13.114 1.00 0.00 C ATOM 1214 O HIS A 509 -4.771 5.818 13.896 1.00 0.00 O ATOM 1215 CB HIS A 509 -4.484 9.079 13.458 1.00 0.00 C ATOM 1216 CG HIS A 509 -3.306 9.998 13.554 1.00 0.00 C ATOM 1217 ND1 HIS A 509 -2.982 10.689 14.703 1.00 0.00 N ATOM 1218 CD2 HIS A 509 -2.370 10.338 12.637 1.00 0.00 C ATOM 1219 CE1 HIS A 509 -1.900 11.415 14.487 1.00 0.00 C ATOM 1220 NE2 HIS A 509 -1.508 11.219 13.241 1.00 0.00 N ATOM 0 H HIS A 509 -4.321 9.038 10.977 1.00 0.00 H new ATOM 0 HA HIS A 509 -3.176 7.482 12.862 1.00 0.00 H new ATOM 0 HB2 HIS A 509 -5.312 9.611 12.989 1.00 0.00 H new ATOM 0 HB3 HIS A 509 -4.807 8.810 14.464 1.00 0.00 H new ATOM 0 HD2 HIS A 509 -2.312 9.982 11.619 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -1.418 12.060 15.207 1.00 0.00 H new ATOM 0 HE2 HIS A 509 -0.697 11.652 12.799 1.00 0.00 H new ATOM 1228 N LYS A 510 -6.376 6.732 12.612 1.00 0.00 N ATOM 1229 CA LYS A 510 -7.378 5.730 12.958 1.00 0.00 C ATOM 1230 C LYS A 510 -6.937 4.342 12.506 1.00 0.00 C ATOM 1231 O LYS A 510 -7.024 3.376 13.264 1.00 0.00 O ATOM 1232 CB LYS A 510 -8.723 6.083 12.320 1.00 0.00 C ATOM 1233 CG LYS A 510 -9.862 5.182 12.765 1.00 0.00 C ATOM 1234 CD LYS A 510 -10.053 4.013 11.813 1.00 0.00 C ATOM 1235 CE LYS A 510 -11.474 3.475 11.869 1.00 0.00 C ATOM 1236 NZ LYS A 510 -11.721 2.449 10.818 1.00 0.00 N ATOM 0 H LYS A 510 -6.703 7.449 11.964 1.00 0.00 H new ATOM 0 HA LYS A 510 -7.489 5.722 14.042 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -8.971 7.116 12.564 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -8.628 6.025 11.236 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -9.659 4.806 13.768 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -10.784 5.761 12.822 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -9.823 4.329 10.796 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -9.352 3.218 12.066 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -11.659 3.040 12.851 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -12.179 4.297 11.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -12.367 1.723 11.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -12.148 2.901 9.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -10.820 2.006 10.547 1.00 0.00 H new ATOM 1250 N ALA A 511 -6.463 4.250 11.268 1.00 0.00 N ATOM 1251 CA ALA A 511 -6.005 2.980 10.718 1.00 0.00 C ATOM 1252 C ALA A 511 -4.919 2.362 11.592 1.00 0.00 C ATOM 1253 O ALA A 511 -4.905 1.152 11.817 1.00 0.00 O ATOM 1254 CB ALA A 511 -5.496 3.174 9.297 1.00 0.00 C ATOM 0 H ALA A 511 -6.386 5.040 10.627 1.00 0.00 H new ATOM 0 HA ALA A 511 -6.852 2.294 10.699 1.00 0.00 H new ATOM 0 HB1 ALA A 511 -5.157 2.218 8.898 1.00 0.00 H new ATOM 0 HB2 ALA A 511 -6.300 3.563 8.672 1.00 0.00 H new ATOM 0 HB3 ALA A 511 -4.666 3.880 9.301 1.00 0.00 H new ATOM 1260 N ILE A 512 -4.011 3.201 12.080 1.00 0.00 N ATOM 1261 CA ILE A 512 -2.922 2.736 12.929 1.00 0.00 C ATOM 1262 C ILE A 512 -3.448 2.218 14.264 1.00 0.00 C ATOM 1263 O ILE A 512 -3.227 1.061 14.621 1.00 0.00 O ATOM 1264 CB ILE A 512 -1.897 3.854 13.193 1.00 0.00 C ATOM 1265 CG1 ILE A 512 -1.260 4.313 11.880 1.00 0.00 C ATOM 1266 CG2 ILE A 512 -0.829 3.376 14.166 1.00 0.00 C ATOM 1267 CD1 ILE A 512 -0.478 5.602 12.005 1.00 0.00 C ATOM 0 H ILE A 512 -4.008 4.205 11.902 1.00 0.00 H new ATOM 0 HA ILE A 512 -2.431 1.923 12.395 1.00 0.00 H new ATOM 0 HB ILE A 512 -2.415 4.702 13.640 1.00 0.00 H new ATOM 0 HG12 ILE A 512 -0.597 3.529 11.514 1.00 0.00 H new ATOM 0 HG13 ILE A 512 -2.042 4.443 11.132 1.00 0.00 H new ATOM 0 HG21 ILE A 512 -0.112 4.178 14.342 1.00 0.00 H new ATOM 0 HG22 ILE A 512 -1.296 3.093 15.109 1.00 0.00 H new ATOM 0 HG23 ILE A 512 -0.312 2.514 13.744 1.00 0.00 H new ATOM 0 HD11 ILE A 512 -0.055 5.866 11.036 1.00 0.00 H new ATOM 0 HD12 ILE A 512 -1.141 6.399 12.341 1.00 0.00 H new ATOM 0 HD13 ILE A 512 0.327 5.471 12.729 1.00 0.00 H new ATOM 1279 N GLN A 513 -4.144 3.082 14.994 1.00 0.00 N ATOM 1280 CA GLN A 513 -4.703 2.711 16.289 1.00 0.00 C ATOM 1281 C GLN A 513 -5.397 1.355 16.214 1.00 0.00 C ATOM 1282 O GLN A 513 -5.355 0.573 17.163 1.00 0.00 O ATOM 1283 CB GLN A 513 -5.691 3.777 16.766 1.00 0.00 C ATOM 1284 CG GLN A 513 -5.041 5.118 17.068 1.00 0.00 C ATOM 1285 CD GLN A 513 -6.011 6.114 17.672 1.00 0.00 C ATOM 1286 OE1 GLN A 513 -6.306 7.150 17.076 1.00 0.00 O ATOM 1287 NE2 GLN A 513 -6.513 5.805 18.862 1.00 0.00 N ATOM 0 H GLN A 513 -4.335 4.043 14.712 1.00 0.00 H new ATOM 0 HA GLN A 513 -3.883 2.640 17.004 1.00 0.00 H new ATOM 0 HB2 GLN A 513 -6.457 3.918 16.003 1.00 0.00 H new ATOM 0 HB3 GLN A 513 -6.196 3.417 17.663 1.00 0.00 H new ATOM 0 HG2 GLN A 513 -4.207 4.967 17.754 1.00 0.00 H new ATOM 0 HG3 GLN A 513 -4.627 5.532 16.149 1.00 0.00 H new ATOM 0 HE21 GLN A 513 -6.241 4.935 19.320 1.00 0.00 H new ATOM 0 HE22 GLN A 513 -7.171 6.437 19.318 1.00 0.00 H new ATOM 1296 N ALA A 514 -6.035 1.084 15.081 1.00 0.00 N ATOM 1297 CA ALA A 514 -6.736 -0.178 14.882 1.00 0.00 C ATOM 1298 C ALA A 514 -5.760 -1.304 14.561 1.00 0.00 C ATOM 1299 O ALA A 514 -5.777 -2.356 15.202 1.00 0.00 O ATOM 1300 CB ALA A 514 -7.767 -0.040 13.771 1.00 0.00 C ATOM 0 H ALA A 514 -6.081 1.722 14.286 1.00 0.00 H new ATOM 0 HA ALA A 514 -7.249 -0.430 15.810 1.00 0.00 H new ATOM 0 HB1 ALA A 514 -8.283 -0.990 13.633 1.00 0.00 H new ATOM 0 HB2 ALA A 514 -8.490 0.730 14.039 1.00 0.00 H new ATOM 0 HB3 ALA A 514 -7.267 0.239 12.843 1.00 0.00 H new ATOM 1306 N LEU A 515 -4.909 -1.078 13.567 1.00 0.00 N ATOM 1307 CA LEU A 515 -3.924 -2.075 13.160 1.00 0.00 C ATOM 1308 C LEU A 515 -2.628 -1.912 13.948 1.00 0.00 C ATOM 1309 O LEU A 515 -1.556 -2.298 13.484 1.00 0.00 O ATOM 1310 CB LEU A 515 -3.641 -1.960 11.662 1.00 0.00 C ATOM 1311 CG LEU A 515 -4.866 -1.948 10.746 1.00 0.00 C ATOM 1312 CD1 LEU A 515 -4.500 -1.412 9.371 1.00 0.00 C ATOM 1313 CD2 LEU A 515 -5.463 -3.344 10.635 1.00 0.00 C ATOM 0 H LEU A 515 -4.881 -0.213 13.027 1.00 0.00 H new ATOM 0 HA LEU A 515 -4.335 -3.063 13.370 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -3.074 -1.045 11.489 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -3.001 -2.792 11.369 1.00 0.00 H new ATOM 0 HG LEU A 515 -5.615 -1.288 11.183 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -5.384 -1.411 8.734 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -4.120 -0.395 9.466 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -3.733 -2.045 8.926 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -6.333 -3.316 9.980 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -4.720 -4.026 10.222 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -5.764 -3.691 11.624 1.00 0.00 H new ATOM 1325 N ASN A 516 -2.736 -1.341 15.143 1.00 0.00 N ATOM 1326 CA ASN A 516 -1.572 -1.129 15.997 1.00 0.00 C ATOM 1327 C ASN A 516 -1.289 -2.364 16.847 1.00 0.00 C ATOM 1328 O ASN A 516 -0.248 -2.458 17.495 1.00 0.00 O ATOM 1329 CB ASN A 516 -1.790 0.087 16.899 1.00 0.00 C ATOM 1330 CG ASN A 516 -0.886 0.073 18.117 1.00 0.00 C ATOM 1331 OD1 ASN A 516 0.088 0.822 18.189 1.00 0.00 O ATOM 1332 ND2 ASN A 516 -1.207 -0.782 19.081 1.00 0.00 N ATOM 0 H ASN A 516 -3.617 -1.017 15.542 1.00 0.00 H new ATOM 0 HA ASN A 516 -0.710 -0.946 15.356 1.00 0.00 H new ATOM 0 HB2 ASN A 516 -1.610 0.997 16.327 1.00 0.00 H new ATOM 0 HB3 ASN A 516 -2.831 0.114 17.222 1.00 0.00 H new ATOM 0 HD21 ASN A 516 -0.637 -0.837 19.925 1.00 0.00 H new ATOM 0 HD22 ASN A 516 -2.024 -1.384 18.978 1.00 0.00 H new ATOM 1339 N GLY A 517 -2.225 -3.308 16.840 1.00 0.00 N ATOM 1340 CA GLY A 517 -2.058 -4.525 17.613 1.00 0.00 C ATOM 1341 C GLY A 517 -2.996 -5.629 17.168 1.00 0.00 C ATOM 1342 O GLY A 517 -3.429 -6.448 17.978 1.00 0.00 O ATOM 0 H GLY A 517 -3.096 -3.252 16.313 1.00 0.00 H new ATOM 0 HA2 GLY A 517 -1.028 -4.870 17.523 1.00 0.00 H new ATOM 0 HA3 GLY A 517 -2.231 -4.309 18.667 1.00 0.00 H new ATOM 1346 N ARG A 518 -3.311 -5.650 15.877 1.00 0.00 N ATOM 1347 CA ARG A 518 -4.206 -6.660 15.326 1.00 0.00 C ATOM 1348 C ARG A 518 -3.517 -8.020 15.262 1.00 0.00 C ATOM 1349 O ARG A 518 -2.289 -8.106 15.262 1.00 0.00 O ATOM 1350 CB ARG A 518 -4.677 -6.249 13.930 1.00 0.00 C ATOM 1351 CG ARG A 518 -5.955 -5.426 13.936 1.00 0.00 C ATOM 1352 CD ARG A 518 -7.186 -6.311 14.060 1.00 0.00 C ATOM 1353 NE ARG A 518 -7.428 -6.722 15.440 1.00 0.00 N ATOM 1354 CZ ARG A 518 -8.058 -5.966 16.332 1.00 0.00 C ATOM 1355 NH1 ARG A 518 -8.508 -4.766 15.990 1.00 0.00 N ATOM 1356 NH2 ARG A 518 -8.240 -6.409 17.570 1.00 0.00 N ATOM 0 H ARG A 518 -2.960 -4.979 15.193 1.00 0.00 H new ATOM 0 HA ARG A 518 -5.071 -6.740 15.984 1.00 0.00 H new ATOM 0 HB2 ARG A 518 -3.888 -5.675 13.444 1.00 0.00 H new ATOM 0 HB3 ARG A 518 -4.835 -7.146 13.331 1.00 0.00 H new ATOM 0 HG2 ARG A 518 -5.929 -4.718 14.764 1.00 0.00 H new ATOM 0 HG3 ARG A 518 -6.017 -4.841 13.018 1.00 0.00 H new ATOM 0 HD2 ARG A 518 -8.057 -5.775 13.683 1.00 0.00 H new ATOM 0 HD3 ARG A 518 -7.061 -7.195 13.435 1.00 0.00 H new ATOM 0 HE ARG A 518 -7.095 -7.640 15.735 1.00 0.00 H new ATOM 0 HH11 ARG A 518 -8.371 -4.422 15.040 1.00 0.00 H new ATOM 0 HH12 ARG A 518 -8.991 -4.188 16.677 1.00 0.00 H new ATOM 0 HH21 ARG A 518 -7.896 -7.331 17.837 1.00 0.00 H new ATOM 0 HH22 ARG A 518 -8.724 -5.827 18.254 1.00 0.00 H new ATOM 1370 N TRP A 519 -4.316 -9.080 15.208 1.00 0.00 N ATOM 1371 CA TRP A 519 -3.783 -10.436 15.144 1.00 0.00 C ATOM 1372 C TRP A 519 -3.987 -11.037 13.757 1.00 0.00 C ATOM 1373 O TRP A 519 -5.113 -11.338 13.361 1.00 0.00 O ATOM 1374 CB TRP A 519 -4.451 -11.319 16.199 1.00 0.00 C ATOM 1375 CG TRP A 519 -3.708 -11.356 17.500 1.00 0.00 C ATOM 1376 CD1 TRP A 519 -4.054 -10.724 18.660 1.00 0.00 C ATOM 1377 CD2 TRP A 519 -2.491 -12.060 17.772 1.00 0.00 C ATOM 1378 NE1 TRP A 519 -3.126 -10.992 19.637 1.00 0.00 N ATOM 1379 CE2 TRP A 519 -2.158 -11.811 19.118 1.00 0.00 C ATOM 1380 CE3 TRP A 519 -1.653 -12.879 17.011 1.00 0.00 C ATOM 1381 CZ2 TRP A 519 -1.022 -12.350 19.715 1.00 0.00 C ATOM 1382 CZ3 TRP A 519 -0.525 -13.413 17.606 1.00 0.00 C ATOM 1383 CH2 TRP A 519 -0.218 -13.148 18.947 1.00 0.00 C ATOM 0 H TRP A 519 -5.335 -9.027 15.207 1.00 0.00 H new ATOM 0 HA TRP A 519 -2.713 -10.388 15.345 1.00 0.00 H new ATOM 0 HB2 TRP A 519 -5.463 -10.957 16.377 1.00 0.00 H new ATOM 0 HB3 TRP A 519 -4.539 -12.334 15.810 1.00 0.00 H new ATOM 0 HD1 TRP A 519 -4.929 -10.104 18.790 1.00 0.00 H new ATOM 0 HE1 TRP A 519 -3.153 -10.639 20.593 1.00 0.00 H new ATOM 0 HE3 TRP A 519 -1.882 -13.091 15.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 519 -0.783 -12.146 20.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 519 0.131 -14.046 17.027 1.00 0.00 H new ATOM 0 HH2 TRP A 519 0.670 -13.582 19.383 1.00 0.00 H new ATOM 1394 N PHE A 520 -2.892 -11.208 13.024 1.00 0.00 N ATOM 1395 CA PHE A 520 -2.952 -11.772 11.681 1.00 0.00 C ATOM 1396 C PHE A 520 -3.028 -13.295 11.733 1.00 0.00 C ATOM 1397 O PHE A 520 -2.643 -13.913 12.726 1.00 0.00 O ATOM 1398 CB PHE A 520 -1.731 -11.339 10.868 1.00 0.00 C ATOM 1399 CG PHE A 520 -1.893 -11.541 9.388 1.00 0.00 C ATOM 1400 CD1 PHE A 520 -2.449 -10.549 8.597 1.00 0.00 C ATOM 1401 CD2 PHE A 520 -1.489 -12.723 8.789 1.00 0.00 C ATOM 1402 CE1 PHE A 520 -2.600 -10.733 7.235 1.00 0.00 C ATOM 1403 CE2 PHE A 520 -1.637 -12.913 7.428 1.00 0.00 C ATOM 1404 CZ PHE A 520 -2.192 -11.916 6.650 1.00 0.00 C ATOM 0 H PHE A 520 -1.953 -10.964 13.337 1.00 0.00 H new ATOM 0 HA PHE A 520 -3.854 -11.397 11.197 1.00 0.00 H new ATOM 0 HB2 PHE A 520 -1.530 -10.286 11.063 1.00 0.00 H new ATOM 0 HB3 PHE A 520 -0.860 -11.898 11.210 1.00 0.00 H new ATOM 0 HD1 PHE A 520 -2.768 -9.622 9.049 1.00 0.00 H new ATOM 0 HD2 PHE A 520 -1.053 -13.505 9.393 1.00 0.00 H new ATOM 0 HE1 PHE A 520 -3.036 -9.953 6.629 1.00 0.00 H new ATOM 0 HE2 PHE A 520 -1.319 -13.840 6.974 1.00 0.00 H new ATOM 0 HZ PHE A 520 -2.307 -12.061 5.586 1.00 0.00 H new ATOM 1414 N ALA A 521 -3.528 -13.894 10.658 1.00 0.00 N ATOM 1415 CA ALA A 521 -3.653 -15.345 10.580 1.00 0.00 C ATOM 1416 C ALA A 521 -2.336 -16.029 10.929 1.00 0.00 C ATOM 1417 O ALA A 521 -1.542 -16.355 10.047 1.00 0.00 O ATOM 1418 CB ALA A 521 -4.115 -15.761 9.191 1.00 0.00 C ATOM 0 H ALA A 521 -3.853 -13.397 9.829 1.00 0.00 H new ATOM 0 HA ALA A 521 -4.400 -15.660 11.309 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -4.204 -16.846 9.147 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -5.084 -15.309 8.979 1.00 0.00 H new ATOM 0 HB3 ALA A 521 -3.389 -15.426 8.451 1.00 0.00 H new ATOM 1424 N GLY A 522 -2.110 -16.244 12.221 1.00 0.00 N ATOM 1425 CA GLY A 522 -0.887 -16.888 12.663 1.00 0.00 C ATOM 1426 C GLY A 522 0.294 -15.937 12.683 1.00 0.00 C ATOM 1427 O GLY A 522 1.446 -16.367 12.625 1.00 0.00 O ATOM 0 H GLY A 522 -2.752 -15.984 12.970 1.00 0.00 H new ATOM 0 HA2 GLY A 522 -1.036 -17.298 13.662 1.00 0.00 H new ATOM 0 HA3 GLY A 522 -0.663 -17.727 12.004 1.00 0.00 H new ATOM 1431 N ARG A 523 0.008 -14.642 12.765 1.00 0.00 N ATOM 1432 CA ARG A 523 1.056 -13.628 12.789 1.00 0.00 C ATOM 1433 C ARG A 523 0.583 -12.376 13.521 1.00 0.00 C ATOM 1434 O ARG A 523 -0.609 -12.206 13.778 1.00 0.00 O ATOM 1435 CB ARG A 523 1.481 -13.270 11.364 1.00 0.00 C ATOM 1436 CG ARG A 523 2.410 -14.292 10.730 1.00 0.00 C ATOM 1437 CD ARG A 523 3.760 -14.327 11.430 1.00 0.00 C ATOM 1438 NE ARG A 523 4.678 -15.273 10.801 1.00 0.00 N ATOM 1439 CZ ARG A 523 5.866 -15.590 11.304 1.00 0.00 C ATOM 1440 NH1 ARG A 523 6.277 -15.039 12.438 1.00 0.00 N ATOM 1441 NH2 ARG A 523 6.644 -16.459 10.674 1.00 0.00 N ATOM 0 H ARG A 523 -0.940 -14.270 12.816 1.00 0.00 H new ATOM 0 HA ARG A 523 1.913 -14.038 13.323 1.00 0.00 H new ATOM 0 HB2 ARG A 523 0.591 -13.167 10.744 1.00 0.00 H new ATOM 0 HB3 ARG A 523 1.976 -12.299 11.375 1.00 0.00 H new ATOM 0 HG2 ARG A 523 1.951 -15.279 10.774 1.00 0.00 H new ATOM 0 HG3 ARG A 523 2.551 -14.052 9.676 1.00 0.00 H new ATOM 0 HD2 ARG A 523 4.201 -13.330 11.417 1.00 0.00 H new ATOM 0 HD3 ARG A 523 3.619 -14.599 12.476 1.00 0.00 H new ATOM 0 HE ARG A 523 4.391 -15.715 9.927 1.00 0.00 H new ATOM 0 HH11 ARG A 523 5.681 -14.370 12.926 1.00 0.00 H new ATOM 0 HH12 ARG A 523 7.189 -15.284 12.823 1.00 0.00 H new ATOM 0 HH21 ARG A 523 6.331 -16.885 9.802 1.00 0.00 H new ATOM 0 HH22 ARG A 523 7.556 -16.701 11.061 1.00 0.00 H new ATOM 1455 N LYS A 524 1.525 -11.500 13.854 1.00 0.00 N ATOM 1456 CA LYS A 524 1.207 -10.262 14.555 1.00 0.00 C ATOM 1457 C LYS A 524 1.379 -9.057 13.637 1.00 0.00 C ATOM 1458 O LYS A 524 2.392 -8.927 12.949 1.00 0.00 O ATOM 1459 CB LYS A 524 2.098 -10.107 15.790 1.00 0.00 C ATOM 1460 CG LYS A 524 1.542 -9.143 16.824 1.00 0.00 C ATOM 1461 CD LYS A 524 0.678 -9.860 17.848 1.00 0.00 C ATOM 1462 CE LYS A 524 -0.037 -8.876 18.760 1.00 0.00 C ATOM 1463 NZ LYS A 524 -0.256 -9.440 20.121 1.00 0.00 N ATOM 0 H LYS A 524 2.516 -11.625 13.649 1.00 0.00 H new ATOM 0 HA LYS A 524 0.165 -10.310 14.870 1.00 0.00 H new ATOM 0 HB2 LYS A 524 2.236 -11.084 16.253 1.00 0.00 H new ATOM 0 HB3 LYS A 524 3.083 -9.762 15.476 1.00 0.00 H new ATOM 0 HG2 LYS A 524 2.364 -8.638 17.331 1.00 0.00 H new ATOM 0 HG3 LYS A 524 0.953 -8.373 16.325 1.00 0.00 H new ATOM 0 HD2 LYS A 524 -0.056 -10.482 17.335 1.00 0.00 H new ATOM 0 HD3 LYS A 524 1.299 -10.527 18.446 1.00 0.00 H new ATOM 0 HE2 LYS A 524 0.549 -7.960 18.836 1.00 0.00 H new ATOM 0 HE3 LYS A 524 -0.997 -8.605 18.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 524 -0.669 -8.711 20.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 524 -0.905 -10.250 20.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 524 0.653 -9.753 20.517 1.00 0.00 H new ATOM 1477 N VAL A 525 0.384 -8.175 13.631 1.00 0.00 N ATOM 1478 CA VAL A 525 0.427 -6.979 12.799 1.00 0.00 C ATOM 1479 C VAL A 525 0.762 -5.744 13.628 1.00 0.00 C ATOM 1480 O VAL A 525 0.235 -5.559 14.725 1.00 0.00 O ATOM 1481 CB VAL A 525 -0.913 -6.750 12.075 1.00 0.00 C ATOM 1482 CG1 VAL A 525 -0.929 -5.387 11.400 1.00 0.00 C ATOM 1483 CG2 VAL A 525 -1.168 -7.858 11.064 1.00 0.00 C ATOM 0 H VAL A 525 -0.462 -8.267 14.194 1.00 0.00 H new ATOM 0 HA VAL A 525 1.210 -7.138 12.057 1.00 0.00 H new ATOM 0 HB VAL A 525 -1.714 -6.772 12.814 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -1.883 -5.243 10.894 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -0.795 -4.608 12.150 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -0.120 -5.332 10.672 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -2.119 -7.680 10.562 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -0.365 -7.870 10.327 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -1.203 -8.819 11.578 1.00 0.00 H new ATOM 1493 N VAL A 526 1.642 -4.901 13.097 1.00 0.00 N ATOM 1494 CA VAL A 526 2.046 -3.683 13.787 1.00 0.00 C ATOM 1495 C VAL A 526 1.970 -2.475 12.860 1.00 0.00 C ATOM 1496 O VAL A 526 2.635 -2.430 11.826 1.00 0.00 O ATOM 1497 CB VAL A 526 3.478 -3.801 14.342 1.00 0.00 C ATOM 1498 CG1 VAL A 526 3.961 -2.456 14.863 1.00 0.00 C ATOM 1499 CG2 VAL A 526 3.541 -4.859 15.433 1.00 0.00 C ATOM 0 H VAL A 526 2.089 -5.040 12.191 1.00 0.00 H new ATOM 0 HA VAL A 526 1.353 -3.545 14.617 1.00 0.00 H new ATOM 0 HB VAL A 526 4.139 -4.108 13.532 1.00 0.00 H new ATOM 0 HG11 VAL A 526 4.974 -2.559 15.251 1.00 0.00 H new ATOM 0 HG12 VAL A 526 3.955 -1.728 14.052 1.00 0.00 H new ATOM 0 HG13 VAL A 526 3.300 -2.116 15.660 1.00 0.00 H new ATOM 0 HG21 VAL A 526 4.560 -4.929 15.814 1.00 0.00 H new ATOM 0 HG22 VAL A 526 2.868 -4.584 16.245 1.00 0.00 H new ATOM 0 HG23 VAL A 526 3.240 -5.823 15.023 1.00 0.00 H new ATOM 1509 N ALA A 527 1.154 -1.496 13.239 1.00 0.00 N ATOM 1510 CA ALA A 527 0.993 -0.286 12.442 1.00 0.00 C ATOM 1511 C ALA A 527 1.818 0.862 13.014 1.00 0.00 C ATOM 1512 O ALA A 527 1.635 1.256 14.165 1.00 0.00 O ATOM 1513 CB ALA A 527 -0.476 0.105 12.367 1.00 0.00 C ATOM 0 H ALA A 527 0.595 -1.517 14.092 1.00 0.00 H new ATOM 0 HA ALA A 527 1.355 -0.493 11.435 1.00 0.00 H new ATOM 0 HB1 ALA A 527 -0.582 1.010 11.769 1.00 0.00 H new ATOM 0 HB2 ALA A 527 -1.044 -0.703 11.906 1.00 0.00 H new ATOM 0 HB3 ALA A 527 -0.856 0.288 13.372 1.00 0.00 H new ATOM 1519 N GLU A 528 2.728 1.392 12.202 1.00 0.00 N ATOM 1520 CA GLU A 528 3.583 2.493 12.630 1.00 0.00 C ATOM 1521 C GLU A 528 3.184 3.792 11.935 1.00 0.00 C ATOM 1522 O GLU A 528 2.411 3.785 10.977 1.00 0.00 O ATOM 1523 CB GLU A 528 5.050 2.174 12.335 1.00 0.00 C ATOM 1524 CG GLU A 528 5.976 3.369 12.489 1.00 0.00 C ATOM 1525 CD GLU A 528 7.435 3.005 12.295 1.00 0.00 C ATOM 1526 OE1 GLU A 528 7.852 2.822 11.133 1.00 0.00 O ATOM 1527 OE2 GLU A 528 8.160 2.903 13.308 1.00 0.00 O ATOM 0 H GLU A 528 2.892 1.077 11.246 1.00 0.00 H new ATOM 0 HA GLU A 528 3.456 2.621 13.705 1.00 0.00 H new ATOM 0 HB2 GLU A 528 5.382 1.380 13.003 1.00 0.00 H new ATOM 0 HB3 GLU A 528 5.132 1.790 11.318 1.00 0.00 H new ATOM 0 HG2 GLU A 528 5.697 4.135 11.766 1.00 0.00 H new ATOM 0 HG3 GLU A 528 5.842 3.802 13.480 1.00 0.00 H new ATOM 1534 N VAL A 529 3.718 4.907 12.425 1.00 0.00 N ATOM 1535 CA VAL A 529 3.420 6.214 11.852 1.00 0.00 C ATOM 1536 C VAL A 529 4.625 6.775 11.107 1.00 0.00 C ATOM 1537 O VAL A 529 5.655 7.079 11.710 1.00 0.00 O ATOM 1538 CB VAL A 529 2.988 7.217 12.938 1.00 0.00 C ATOM 1539 CG1 VAL A 529 4.107 7.426 13.947 1.00 0.00 C ATOM 1540 CG2 VAL A 529 2.575 8.539 12.307 1.00 0.00 C ATOM 0 H VAL A 529 4.359 4.931 13.218 1.00 0.00 H new ATOM 0 HA VAL A 529 2.597 6.073 11.151 1.00 0.00 H new ATOM 0 HB VAL A 529 2.127 6.807 13.466 1.00 0.00 H new ATOM 0 HG11 VAL A 529 3.784 8.138 14.707 1.00 0.00 H new ATOM 0 HG12 VAL A 529 4.352 6.475 14.421 1.00 0.00 H new ATOM 0 HG13 VAL A 529 4.989 7.815 13.437 1.00 0.00 H new ATOM 0 HG21 VAL A 529 2.273 9.236 13.088 1.00 0.00 H new ATOM 0 HG22 VAL A 529 3.416 8.957 11.754 1.00 0.00 H new ATOM 0 HG23 VAL A 529 1.740 8.372 11.627 1.00 0.00 H new ATOM 1550 N TYR A 530 4.490 6.911 9.792 1.00 0.00 N ATOM 1551 CA TYR A 530 5.569 7.435 8.963 1.00 0.00 C ATOM 1552 C TYR A 530 5.511 8.957 8.891 1.00 0.00 C ATOM 1553 O TYR A 530 4.447 9.540 8.682 1.00 0.00 O ATOM 1554 CB TYR A 530 5.492 6.843 7.555 1.00 0.00 C ATOM 1555 CG TYR A 530 6.830 6.766 6.856 1.00 0.00 C ATOM 1556 CD1 TYR A 530 7.685 5.691 7.065 1.00 0.00 C ATOM 1557 CD2 TYR A 530 7.239 7.768 5.984 1.00 0.00 C ATOM 1558 CE1 TYR A 530 8.909 5.617 6.429 1.00 0.00 C ATOM 1559 CE2 TYR A 530 8.461 7.701 5.343 1.00 0.00 C ATOM 1560 CZ TYR A 530 9.292 6.624 5.569 1.00 0.00 C ATOM 1561 OH TYR A 530 10.510 6.553 4.932 1.00 0.00 O ATOM 0 H TYR A 530 3.644 6.666 9.278 1.00 0.00 H new ATOM 0 HA TYR A 530 6.516 7.147 9.420 1.00 0.00 H new ATOM 0 HB2 TYR A 530 5.064 5.842 7.614 1.00 0.00 H new ATOM 0 HB3 TYR A 530 4.812 7.446 6.953 1.00 0.00 H new ATOM 0 HD1 TYR A 530 7.387 4.899 7.737 1.00 0.00 H new ATOM 0 HD2 TYR A 530 6.591 8.613 5.805 1.00 0.00 H new ATOM 0 HE1 TYR A 530 9.562 4.775 6.605 1.00 0.00 H new ATOM 0 HE2 TYR A 530 8.764 8.488 4.668 1.00 0.00 H new ATOM 0 HH TYR A 530 10.627 7.340 4.360 1.00 0.00 H new