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 -40:sc= 1.02 USER MOD Set 1.2: A 508 THR OG1 : rot -56:sc= 0.354 USER MOD Single : A 444 SER OG : rot 46:sc= 0.745 USER MOD Single : A 447 MET CE :methyl 161:sc= -2.27 (180deg=-2.99!) USER MOD Single : A 451 ASN : amide:sc= 0.987 K(o=0.99,f=0) USER MOD Single : A 452 MET CE :methyl -123:sc= 0 (180deg=-0.898) USER MOD Single : A 456 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 467 THR OG1 : rot 68:sc= 0.195 USER MOD Single : A 470 CYS SG : rot 140:sc= -3.29! USER MOD Single : A 472 LYS NZ :NH3+ 151:sc= 0.0155 (180deg=-0.198) USER MOD Single : A 477 ASN : amide:sc= -2.43 K(o=-2.4,f=-0.078) USER MOD Single : A 482 TYR OH : rot 180:sc= 0 USER MOD Single : A 483 GLN : amide:sc= -1.43 K(o=-1.4,f=-0.41) USER MOD Single : A 485 LYS NZ :NH3+ -121:sc= -0.158 (180deg=-0.646) USER MOD Single : A 497 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 503 SER OG : rot -84:sc= -0.0201 USER MOD Single : A 506 SER OG : rot 180:sc= 0 USER MOD Single : A 509 HIS : no HD1:sc= -0.101 X(o=-0.1,f=0.012) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 513 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 516 ASN : amide:sc= -2.12 K(o=-2.1,f=-5.9!) USER MOD Single : A 524 LYS NZ :NH3+ -176:sc= 1.53 (180deg=1.46) USER MOD Single : A 530 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 204 N SER A 444 0.722 13.934 9.512 1.00 0.00 N ATOM 205 CA SER A 444 1.161 12.590 9.154 1.00 0.00 C ATOM 206 C SER A 444 -0.015 11.745 8.674 1.00 0.00 C ATOM 207 O SER A 444 -0.877 11.355 9.462 1.00 0.00 O ATOM 208 CB SER A 444 1.836 11.915 10.350 1.00 0.00 C ATOM 209 OG SER A 444 0.932 11.775 11.432 1.00 0.00 O ATOM 0 HA SER A 444 1.881 12.674 8.340 1.00 0.00 H new ATOM 0 HB2 SER A 444 2.210 10.935 10.055 1.00 0.00 H new ATOM 0 HB3 SER A 444 2.698 12.503 10.665 1.00 0.00 H new ATOM 0 HG SER A 444 0.075 11.434 11.100 1.00 0.00 H new ATOM 215 N THR A 445 -0.043 11.464 7.375 1.00 0.00 N ATOM 216 CA THR A 445 -1.112 10.666 6.788 1.00 0.00 C ATOM 217 C THR A 445 -0.559 9.413 6.120 1.00 0.00 C ATOM 218 O THR A 445 -1.269 8.723 5.387 1.00 0.00 O ATOM 219 CB THR A 445 -1.913 11.476 5.752 1.00 0.00 C ATOM 220 OG1 THR A 445 -2.914 10.647 5.150 1.00 0.00 O ATOM 221 CG2 THR A 445 -0.996 12.035 4.675 1.00 0.00 C ATOM 0 H THR A 445 0.663 11.778 6.709 1.00 0.00 H new ATOM 0 HA THR A 445 -1.775 10.377 7.603 1.00 0.00 H new ATOM 0 HB THR A 445 -2.392 12.309 6.267 1.00 0.00 H new ATOM 0 HG1 THR A 445 -2.545 9.753 4.989 1.00 0.00 H new ATOM 0 HG21 THR A 445 -1.585 12.603 3.955 1.00 0.00 H new ATOM 0 HG22 THR A 445 -0.253 12.688 5.133 1.00 0.00 H new ATOM 0 HG23 THR A 445 -0.492 11.214 4.165 1.00 0.00 H new ATOM 229 N VAL A 446 0.713 9.122 6.376 1.00 0.00 N ATOM 230 CA VAL A 446 1.360 7.950 5.800 1.00 0.00 C ATOM 231 C VAL A 446 1.667 6.909 6.871 1.00 0.00 C ATOM 232 O VAL A 446 2.575 7.087 7.682 1.00 0.00 O ATOM 233 CB VAL A 446 2.668 8.329 5.079 1.00 0.00 C ATOM 234 CG1 VAL A 446 3.344 7.089 4.514 1.00 0.00 C ATOM 235 CG2 VAL A 446 2.395 9.345 3.981 1.00 0.00 C ATOM 0 H VAL A 446 1.315 9.682 6.979 1.00 0.00 H new ATOM 0 HA VAL A 446 0.663 7.528 5.076 1.00 0.00 H new ATOM 0 HB VAL A 446 3.344 8.784 5.803 1.00 0.00 H new ATOM 0 HG11 VAL A 446 4.266 7.376 4.008 1.00 0.00 H new ATOM 0 HG12 VAL A 446 3.575 6.399 5.325 1.00 0.00 H new ATOM 0 HG13 VAL A 446 2.676 6.603 3.803 1.00 0.00 H new ATOM 0 HG21 VAL A 446 3.330 9.602 3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 446 1.701 8.919 3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 446 1.958 10.243 4.417 1.00 0.00 H new ATOM 245 N MET A 447 0.902 5.822 6.868 1.00 0.00 N ATOM 246 CA MET A 447 1.093 4.751 7.839 1.00 0.00 C ATOM 247 C MET A 447 1.855 3.584 7.218 1.00 0.00 C ATOM 248 O MET A 447 1.818 3.381 6.005 1.00 0.00 O ATOM 249 CB MET A 447 -0.258 4.269 8.371 1.00 0.00 C ATOM 250 CG MET A 447 -0.189 2.923 9.074 1.00 0.00 C ATOM 251 SD MET A 447 -1.819 2.227 9.404 1.00 0.00 S ATOM 252 CE MET A 447 -2.355 1.817 7.745 1.00 0.00 C ATOM 0 H MET A 447 0.145 5.660 6.204 1.00 0.00 H new ATOM 0 HA MET A 447 1.681 5.146 8.668 1.00 0.00 H new ATOM 0 HB2 MET A 447 -0.652 5.012 9.064 1.00 0.00 H new ATOM 0 HB3 MET A 447 -0.962 4.201 7.542 1.00 0.00 H new ATOM 0 HG2 MET A 447 0.382 2.226 8.461 1.00 0.00 H new ATOM 0 HG3 MET A 447 0.351 3.036 10.014 1.00 0.00 H new ATOM 0 HE1 MET A 447 -3.166 1.091 7.794 1.00 0.00 H new ATOM 0 HE2 MET A 447 -2.705 2.719 7.242 1.00 0.00 H new ATOM 0 HE3 MET A 447 -1.520 1.392 7.188 1.00 0.00 H new ATOM 262 N VAL A 448 2.545 2.819 8.059 1.00 0.00 N ATOM 263 CA VAL A 448 3.314 1.672 7.593 1.00 0.00 C ATOM 264 C VAL A 448 2.919 0.404 8.341 1.00 0.00 C ATOM 265 O VAL A 448 2.779 0.410 9.565 1.00 0.00 O ATOM 266 CB VAL A 448 4.827 1.905 7.763 1.00 0.00 C ATOM 267 CG1 VAL A 448 5.149 2.300 9.196 1.00 0.00 C ATOM 268 CG2 VAL A 448 5.606 0.663 7.356 1.00 0.00 C ATOM 0 H VAL A 448 2.587 2.974 9.066 1.00 0.00 H new ATOM 0 HA VAL A 448 3.089 1.550 6.534 1.00 0.00 H new ATOM 0 HB VAL A 448 5.126 2.725 7.110 1.00 0.00 H new ATOM 0 HG11 VAL A 448 6.222 2.460 9.297 1.00 0.00 H new ATOM 0 HG12 VAL A 448 4.620 3.219 9.448 1.00 0.00 H new ATOM 0 HG13 VAL A 448 4.836 1.504 9.872 1.00 0.00 H new ATOM 0 HG21 VAL A 448 6.673 0.845 7.482 1.00 0.00 H new ATOM 0 HG22 VAL A 448 5.305 -0.177 7.982 1.00 0.00 H new ATOM 0 HG23 VAL A 448 5.399 0.430 6.312 1.00 0.00 H new ATOM 278 N LEU A 449 2.739 -0.683 7.599 1.00 0.00 N ATOM 279 CA LEU A 449 2.360 -1.960 8.192 1.00 0.00 C ATOM 280 C LEU A 449 3.507 -2.963 8.105 1.00 0.00 C ATOM 281 O LEU A 449 4.170 -3.074 7.074 1.00 0.00 O ATOM 282 CB LEU A 449 1.122 -2.523 7.492 1.00 0.00 C ATOM 283 CG LEU A 449 -0.056 -1.560 7.337 1.00 0.00 C ATOM 284 CD1 LEU A 449 -1.270 -2.288 6.780 1.00 0.00 C ATOM 285 CD2 LEU A 449 -0.390 -0.906 8.670 1.00 0.00 C ATOM 0 H LEU A 449 2.850 -0.705 6.585 1.00 0.00 H new ATOM 0 HA LEU A 449 2.129 -1.789 9.244 1.00 0.00 H new ATOM 0 HB2 LEU A 449 1.415 -2.869 6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 449 0.781 -3.397 8.047 1.00 0.00 H new ATOM 0 HG LEU A 449 0.229 -0.778 6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 449 -2.099 -1.587 6.676 1.00 0.00 H new ATOM 0 HD12 LEU A 449 -1.026 -2.708 5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 449 -1.556 -3.091 7.460 1.00 0.00 H new ATOM 0 HD21 LEU A 449 -1.230 -0.224 8.540 1.00 0.00 H new ATOM 0 HD22 LEU A 449 -0.655 -1.675 9.396 1.00 0.00 H new ATOM 0 HD23 LEU A 449 0.476 -0.350 9.030 1.00 0.00 H new ATOM 297 N ARG A 450 3.732 -3.692 9.193 1.00 0.00 N ATOM 298 CA ARG A 450 4.798 -4.686 9.239 1.00 0.00 C ATOM 299 C ARG A 450 4.268 -6.027 9.738 1.00 0.00 C ATOM 300 O ARG A 450 3.361 -6.078 10.568 1.00 0.00 O ATOM 301 CB ARG A 450 5.934 -4.205 10.144 1.00 0.00 C ATOM 302 CG ARG A 450 6.539 -2.880 9.710 1.00 0.00 C ATOM 303 CD ARG A 450 7.489 -2.330 10.763 1.00 0.00 C ATOM 304 NE ARG A 450 8.744 -3.075 10.810 1.00 0.00 N ATOM 305 CZ ARG A 450 9.668 -2.899 11.747 1.00 0.00 C ATOM 306 NH1 ARG A 450 9.478 -2.009 12.711 1.00 0.00 N ATOM 307 NH2 ARG A 450 10.785 -3.615 11.722 1.00 0.00 N ATOM 0 H ARG A 450 3.191 -3.613 10.054 1.00 0.00 H new ATOM 0 HA ARG A 450 5.181 -4.820 8.227 1.00 0.00 H new ATOM 0 HB2 ARG A 450 5.559 -4.107 11.163 1.00 0.00 H new ATOM 0 HB3 ARG A 450 6.717 -4.963 10.164 1.00 0.00 H new ATOM 0 HG2 ARG A 450 7.074 -3.014 8.770 1.00 0.00 H new ATOM 0 HG3 ARG A 450 5.743 -2.159 9.524 1.00 0.00 H new ATOM 0 HD2 ARG A 450 7.698 -1.281 10.551 1.00 0.00 H new ATOM 0 HD3 ARG A 450 7.008 -2.368 11.740 1.00 0.00 H new ATOM 0 HE ARG A 450 8.920 -3.769 10.083 1.00 0.00 H new ATOM 0 HH11 ARG A 450 8.620 -1.457 12.734 1.00 0.00 H new ATOM 0 HH12 ARG A 450 10.190 -1.876 13.430 1.00 0.00 H new ATOM 0 HH21 ARG A 450 10.934 -4.301 10.982 1.00 0.00 H new ATOM 0 HH22 ARG A 450 11.494 -3.479 12.442 1.00 0.00 H new ATOM 321 N ASN A 451 4.842 -7.111 9.226 1.00 0.00 N ATOM 322 CA ASN A 451 4.427 -8.453 9.619 1.00 0.00 C ATOM 323 C ASN A 451 2.985 -8.721 9.200 1.00 0.00 C ATOM 324 O ASN A 451 2.189 -9.246 9.979 1.00 0.00 O ATOM 325 CB ASN A 451 4.572 -8.632 11.132 1.00 0.00 C ATOM 326 CG ASN A 451 4.863 -10.069 11.519 1.00 0.00 C ATOM 327 OD1 ASN A 451 5.941 -10.594 11.237 1.00 0.00 O ATOM 328 ND2 ASN A 451 3.900 -10.714 12.167 1.00 0.00 N ATOM 0 H ASN A 451 5.595 -7.087 8.539 1.00 0.00 H new ATOM 0 HA ASN A 451 5.073 -9.169 9.112 1.00 0.00 H new ATOM 0 HB2 ASN A 451 5.375 -7.991 11.496 1.00 0.00 H new ATOM 0 HB3 ASN A 451 3.656 -8.305 11.623 1.00 0.00 H new ATOM 0 HD21 ASN A 451 4.038 -11.684 12.452 1.00 0.00 H new ATOM 0 HD22 ASN A 451 3.022 -10.240 12.380 1.00 0.00 H new ATOM 335 N MET A 452 2.656 -8.358 7.965 1.00 0.00 N ATOM 336 CA MET A 452 1.310 -8.561 7.442 1.00 0.00 C ATOM 337 C MET A 452 1.177 -9.940 6.802 1.00 0.00 C ATOM 338 O MET A 452 0.277 -10.708 7.141 1.00 0.00 O ATOM 339 CB MET A 452 0.968 -7.476 6.419 1.00 0.00 C ATOM 340 CG MET A 452 -0.498 -7.458 6.019 1.00 0.00 C ATOM 341 SD MET A 452 -0.819 -6.388 4.603 1.00 0.00 S ATOM 342 CE MET A 452 -2.604 -6.254 4.678 1.00 0.00 C ATOM 0 H MET A 452 3.303 -7.922 7.308 1.00 0.00 H new ATOM 0 HA MET A 452 0.610 -8.498 8.275 1.00 0.00 H new ATOM 0 HB2 MET A 452 1.236 -6.503 6.831 1.00 0.00 H new ATOM 0 HB3 MET A 452 1.578 -7.624 5.528 1.00 0.00 H new ATOM 0 HG2 MET A 452 -0.819 -8.473 5.783 1.00 0.00 H new ATOM 0 HG3 MET A 452 -1.097 -7.123 6.866 1.00 0.00 H new ATOM 0 HE1 MET A 452 -3.034 -6.590 3.734 1.00 0.00 H new ATOM 0 HE2 MET A 452 -2.982 -6.875 5.490 1.00 0.00 H new ATOM 0 HE3 MET A 452 -2.884 -5.216 4.855 1.00 0.00 H new ATOM 352 N VAL A 453 2.080 -10.246 5.875 1.00 0.00 N ATOM 353 CA VAL A 453 2.064 -11.532 5.189 1.00 0.00 C ATOM 354 C VAL A 453 3.451 -11.897 4.673 1.00 0.00 C ATOM 355 O VAL A 453 4.235 -11.025 4.301 1.00 0.00 O ATOM 356 CB VAL A 453 1.074 -11.527 4.008 1.00 0.00 C ATOM 357 CG1 VAL A 453 -0.349 -11.735 4.503 1.00 0.00 C ATOM 358 CG2 VAL A 453 1.189 -10.228 3.224 1.00 0.00 C ATOM 0 H VAL A 453 2.831 -9.621 5.582 1.00 0.00 H new ATOM 0 HA VAL A 453 1.743 -12.275 5.919 1.00 0.00 H new ATOM 0 HB VAL A 453 1.326 -12.352 3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -1.034 -11.728 3.655 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -0.419 -12.693 5.018 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -0.616 -10.933 5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 453 0.483 -10.241 2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 453 0.964 -9.386 3.879 1.00 0.00 H new ATOM 0 HG23 VAL A 453 2.203 -10.125 2.837 1.00 0.00 H new ATOM 368 N ASP A 454 3.747 -13.192 4.653 1.00 0.00 N ATOM 369 CA ASP A 454 5.040 -13.674 4.181 1.00 0.00 C ATOM 370 C ASP A 454 5.474 -12.923 2.926 1.00 0.00 C ATOM 371 O ASP A 454 4.663 -12.579 2.067 1.00 0.00 O ATOM 372 CB ASP A 454 4.976 -15.175 3.896 1.00 0.00 C ATOM 373 CG ASP A 454 6.290 -15.875 4.181 1.00 0.00 C ATOM 374 OD1 ASP A 454 6.746 -15.832 5.343 1.00 0.00 O ATOM 375 OD2 ASP A 454 6.862 -16.467 3.242 1.00 0.00 O ATOM 0 H ASP A 454 3.109 -13.927 4.958 1.00 0.00 H new ATOM 0 HA ASP A 454 5.776 -13.492 4.964 1.00 0.00 H new ATOM 0 HB2 ASP A 454 4.190 -15.624 4.503 1.00 0.00 H new ATOM 0 HB3 ASP A 454 4.703 -15.332 2.853 1.00 0.00 H new ATOM 380 N PRO A 455 6.785 -12.661 2.816 1.00 0.00 N ATOM 381 CA PRO A 455 7.357 -11.948 1.671 1.00 0.00 C ATOM 382 C PRO A 455 7.316 -12.778 0.392 1.00 0.00 C ATOM 383 O PRO A 455 7.844 -12.370 -0.643 1.00 0.00 O ATOM 384 CB PRO A 455 8.805 -11.694 2.097 1.00 0.00 C ATOM 385 CG PRO A 455 9.103 -12.769 3.085 1.00 0.00 C ATOM 386 CD PRO A 455 7.810 -13.042 3.803 1.00 0.00 C ATOM 0 HA PRO A 455 6.802 -11.039 1.439 1.00 0.00 H new ATOM 0 HB2 PRO A 455 9.483 -11.741 1.244 1.00 0.00 H new ATOM 0 HB3 PRO A 455 8.919 -10.705 2.541 1.00 0.00 H new ATOM 0 HG2 PRO A 455 9.470 -13.666 2.587 1.00 0.00 H new ATOM 0 HG3 PRO A 455 9.878 -12.453 3.783 1.00 0.00 H new ATOM 0 HD2 PRO A 455 7.723 -14.090 4.089 1.00 0.00 H new ATOM 0 HD3 PRO A 455 7.726 -12.454 4.717 1.00 0.00 H new ATOM 394 N LYS A 456 6.686 -13.945 0.470 1.00 0.00 N ATOM 395 CA LYS A 456 6.574 -14.833 -0.681 1.00 0.00 C ATOM 396 C LYS A 456 5.159 -14.810 -1.251 1.00 0.00 C ATOM 397 O LYS A 456 4.939 -15.170 -2.407 1.00 0.00 O ATOM 398 CB LYS A 456 6.954 -16.262 -0.288 1.00 0.00 C ATOM 399 CG LYS A 456 5.828 -17.027 0.385 1.00 0.00 C ATOM 400 CD LYS A 456 6.127 -18.516 0.450 1.00 0.00 C ATOM 401 CE LYS A 456 5.160 -19.238 1.376 1.00 0.00 C ATOM 402 NZ LYS A 456 5.345 -20.715 1.328 1.00 0.00 N ATOM 0 H LYS A 456 6.245 -14.298 1.319 1.00 0.00 H new ATOM 0 HA LYS A 456 7.262 -14.479 -1.449 1.00 0.00 H new ATOM 0 HB2 LYS A 456 7.268 -16.804 -1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 456 7.812 -16.229 0.383 1.00 0.00 H new ATOM 0 HG2 LYS A 456 5.676 -16.641 1.393 1.00 0.00 H new ATOM 0 HG3 LYS A 456 4.899 -16.865 -0.162 1.00 0.00 H new ATOM 0 HD2 LYS A 456 6.064 -18.945 -0.550 1.00 0.00 H new ATOM 0 HD3 LYS A 456 7.149 -18.668 0.798 1.00 0.00 H new ATOM 0 HE2 LYS A 456 5.305 -18.887 2.398 1.00 0.00 H new ATOM 0 HE3 LYS A 456 4.136 -18.991 1.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 4.668 -21.171 1.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 5.182 -21.054 0.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 6.314 -20.953 1.620 1.00 0.00 H new ATOM 416 N ASP A 457 4.204 -14.384 -0.432 1.00 0.00 N ATOM 417 CA ASP A 457 2.810 -14.312 -0.855 1.00 0.00 C ATOM 418 C ASP A 457 2.530 -13.000 -1.582 1.00 0.00 C ATOM 419 O ASP A 457 1.475 -12.832 -2.194 1.00 0.00 O ATOM 420 CB ASP A 457 1.881 -14.449 0.352 1.00 0.00 C ATOM 421 CG ASP A 457 1.536 -15.894 0.656 1.00 0.00 C ATOM 422 OD1 ASP A 457 2.471 -16.709 0.796 1.00 0.00 O ATOM 423 OD2 ASP A 457 0.332 -16.209 0.754 1.00 0.00 O ATOM 0 H ASP A 457 4.369 -14.083 0.529 1.00 0.00 H new ATOM 0 HA ASP A 457 2.622 -15.136 -1.544 1.00 0.00 H new ATOM 0 HB2 ASP A 457 2.355 -14.000 1.225 1.00 0.00 H new ATOM 0 HB3 ASP A 457 0.963 -13.891 0.166 1.00 0.00 H new ATOM 428 N ILE A 458 3.480 -12.074 -1.508 1.00 0.00 N ATOM 429 CA ILE A 458 3.335 -10.778 -2.159 1.00 0.00 C ATOM 430 C ILE A 458 2.991 -10.940 -3.635 1.00 0.00 C ATOM 431 O ILE A 458 3.770 -11.499 -4.408 1.00 0.00 O ATOM 432 CB ILE A 458 4.620 -9.938 -2.032 1.00 0.00 C ATOM 433 CG1 ILE A 458 5.034 -9.818 -0.564 1.00 0.00 C ATOM 434 CG2 ILE A 458 4.414 -8.560 -2.644 1.00 0.00 C ATOM 435 CD1 ILE A 458 3.929 -9.311 0.336 1.00 0.00 C ATOM 0 H ILE A 458 4.358 -12.197 -1.004 1.00 0.00 H new ATOM 0 HA ILE A 458 2.520 -10.260 -1.653 1.00 0.00 H new ATOM 0 HB ILE A 458 5.420 -10.440 -2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 458 5.363 -10.794 -0.207 1.00 0.00 H new ATOM 0 HG13 ILE A 458 5.889 -9.146 -0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 458 5.330 -7.978 -2.547 1.00 0.00 H new ATOM 0 HG22 ILE A 458 4.161 -8.665 -3.699 1.00 0.00 H new ATOM 0 HG23 ILE A 458 3.603 -8.049 -2.125 1.00 0.00 H new ATOM 0 HD11 ILE A 458 4.294 -9.251 1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 458 3.615 -8.321 0.004 1.00 0.00 H new ATOM 0 HD13 ILE A 458 3.081 -9.995 0.292 1.00 0.00 H new ATOM 447 N ASP A 459 1.820 -10.445 -4.022 1.00 0.00 N ATOM 448 CA ASP A 459 1.372 -10.532 -5.407 1.00 0.00 C ATOM 449 C ASP A 459 0.663 -9.249 -5.830 1.00 0.00 C ATOM 450 O ASP A 459 0.237 -8.458 -4.989 1.00 0.00 O ATOM 451 CB ASP A 459 0.439 -11.730 -5.590 1.00 0.00 C ATOM 452 CG ASP A 459 1.196 -13.029 -5.784 1.00 0.00 C ATOM 453 OD1 ASP A 459 2.215 -13.231 -5.092 1.00 0.00 O ATOM 454 OD2 ASP A 459 0.769 -13.844 -6.629 1.00 0.00 O ATOM 0 H ASP A 459 1.164 -9.979 -3.395 1.00 0.00 H new ATOM 0 HA ASP A 459 2.250 -10.666 -6.039 1.00 0.00 H new ATOM 0 HB2 ASP A 459 -0.210 -11.818 -4.719 1.00 0.00 H new ATOM 0 HB3 ASP A 459 -0.206 -11.556 -6.452 1.00 0.00 H new ATOM 459 N ASP A 460 0.541 -9.051 -7.138 1.00 0.00 N ATOM 460 CA ASP A 460 -0.116 -7.865 -7.673 1.00 0.00 C ATOM 461 C ASP A 460 -1.499 -7.684 -7.055 1.00 0.00 C ATOM 462 O ASP A 460 -1.897 -6.570 -6.714 1.00 0.00 O ATOM 463 CB ASP A 460 -0.233 -7.963 -9.195 1.00 0.00 C ATOM 464 CG ASP A 460 1.069 -8.381 -9.850 1.00 0.00 C ATOM 465 OD1 ASP A 460 1.980 -7.533 -9.953 1.00 0.00 O ATOM 466 OD2 ASP A 460 1.176 -9.556 -10.259 1.00 0.00 O ATOM 0 H ASP A 460 0.889 -9.697 -7.847 1.00 0.00 H new ATOM 0 HA ASP A 460 0.492 -6.997 -7.418 1.00 0.00 H new ATOM 0 HB2 ASP A 460 -1.012 -8.681 -9.451 1.00 0.00 H new ATOM 0 HB3 ASP A 460 -0.544 -6.998 -9.595 1.00 0.00 H new ATOM 471 N ASP A 461 -2.227 -8.786 -6.914 1.00 0.00 N ATOM 472 CA ASP A 461 -3.566 -8.750 -6.337 1.00 0.00 C ATOM 473 C ASP A 461 -3.533 -8.173 -4.925 1.00 0.00 C ATOM 474 O ASP A 461 -4.450 -7.461 -4.512 1.00 0.00 O ATOM 475 CB ASP A 461 -4.173 -10.154 -6.314 1.00 0.00 C ATOM 476 CG ASP A 461 -5.564 -10.173 -5.713 1.00 0.00 C ATOM 477 OD1 ASP A 461 -5.676 -10.096 -4.472 1.00 0.00 O ATOM 478 OD2 ASP A 461 -6.542 -10.263 -6.485 1.00 0.00 O ATOM 0 H ASP A 461 -1.912 -9.716 -7.191 1.00 0.00 H new ATOM 0 HA ASP A 461 -4.186 -8.105 -6.960 1.00 0.00 H new ATOM 0 HB2 ASP A 461 -4.214 -10.546 -7.330 1.00 0.00 H new ATOM 0 HB3 ASP A 461 -3.524 -10.818 -5.743 1.00 0.00 H new ATOM 483 N LEU A 462 -2.473 -8.485 -4.189 1.00 0.00 N ATOM 484 CA LEU A 462 -2.321 -7.999 -2.822 1.00 0.00 C ATOM 485 C LEU A 462 -2.598 -6.501 -2.743 1.00 0.00 C ATOM 486 O LEU A 462 -3.487 -6.063 -2.013 1.00 0.00 O ATOM 487 CB LEU A 462 -0.911 -8.296 -2.308 1.00 0.00 C ATOM 488 CG LEU A 462 -0.661 -8.003 -0.828 1.00 0.00 C ATOM 489 CD1 LEU A 462 -1.342 -9.046 0.045 1.00 0.00 C ATOM 490 CD2 LEU A 462 0.832 -7.957 -0.538 1.00 0.00 C ATOM 0 H LEU A 462 -1.706 -9.072 -4.515 1.00 0.00 H new ATOM 0 HA LEU A 462 -3.046 -8.518 -2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 462 -0.693 -9.348 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 462 -0.201 -7.716 -2.898 1.00 0.00 H new ATOM 0 HG LEU A 462 -1.087 -7.027 -0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 462 -1.153 -8.821 1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 462 -2.416 -9.032 -0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 462 -0.946 -10.033 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 462 0.991 -7.747 0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 462 1.281 -8.918 -0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 462 1.295 -7.173 -1.137 1.00 0.00 H new ATOM 502 N GLU A 463 -1.833 -5.722 -3.500 1.00 0.00 N ATOM 503 CA GLU A 463 -1.999 -4.273 -3.516 1.00 0.00 C ATOM 504 C GLU A 463 -3.474 -3.893 -3.422 1.00 0.00 C ATOM 505 O GLU A 463 -3.866 -3.089 -2.577 1.00 0.00 O ATOM 506 CB GLU A 463 -1.388 -3.682 -4.788 1.00 0.00 C ATOM 507 CG GLU A 463 -1.149 -2.183 -4.709 1.00 0.00 C ATOM 508 CD GLU A 463 -0.198 -1.687 -5.781 1.00 0.00 C ATOM 509 OE1 GLU A 463 0.944 -2.187 -5.838 1.00 0.00 O ATOM 510 OE2 GLU A 463 -0.597 -0.798 -6.563 1.00 0.00 O ATOM 0 H GLU A 463 -1.093 -6.069 -4.110 1.00 0.00 H new ATOM 0 HA GLU A 463 -1.481 -3.864 -2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 463 -0.441 -4.182 -4.992 1.00 0.00 H new ATOM 0 HB3 GLU A 463 -2.048 -3.892 -5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 463 -2.101 -1.661 -4.804 1.00 0.00 H new ATOM 0 HG3 GLU A 463 -0.746 -1.934 -3.727 1.00 0.00 H new ATOM 517 N GLY A 464 -4.286 -4.477 -4.297 1.00 0.00 N ATOM 518 CA GLY A 464 -5.708 -4.187 -4.297 1.00 0.00 C ATOM 519 C GLY A 464 -6.374 -4.550 -2.985 1.00 0.00 C ATOM 520 O GLY A 464 -7.148 -3.766 -2.437 1.00 0.00 O ATOM 0 H GLY A 464 -3.985 -5.146 -5.006 1.00 0.00 H new ATOM 0 HA2 GLY A 464 -5.859 -3.126 -4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 464 -6.187 -4.735 -5.108 1.00 0.00 H new ATOM 524 N GLU A 465 -6.074 -5.743 -2.480 1.00 0.00 N ATOM 525 CA GLU A 465 -6.651 -6.208 -1.225 1.00 0.00 C ATOM 526 C GLU A 465 -6.401 -5.202 -0.105 1.00 0.00 C ATOM 527 O GLU A 465 -7.278 -4.942 0.719 1.00 0.00 O ATOM 528 CB GLU A 465 -6.067 -7.569 -0.842 1.00 0.00 C ATOM 529 CG GLU A 465 -6.781 -8.743 -1.491 1.00 0.00 C ATOM 530 CD GLU A 465 -8.179 -8.950 -0.941 1.00 0.00 C ATOM 531 OE1 GLU A 465 -8.308 -9.564 0.139 1.00 0.00 O ATOM 532 OE2 GLU A 465 -9.145 -8.499 -1.592 1.00 0.00 O ATOM 0 H GLU A 465 -5.435 -6.404 -2.921 1.00 0.00 H new ATOM 0 HA GLU A 465 -7.727 -6.309 -1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 465 -5.014 -7.595 -1.123 1.00 0.00 H new ATOM 0 HB3 GLU A 465 -6.111 -7.682 0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 465 -6.838 -8.579 -2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 465 -6.196 -9.650 -1.337 1.00 0.00 H new ATOM 539 N VAL A 466 -5.197 -4.639 -0.081 1.00 0.00 N ATOM 540 CA VAL A 466 -4.831 -3.661 0.936 1.00 0.00 C ATOM 541 C VAL A 466 -5.626 -2.371 0.770 1.00 0.00 C ATOM 542 O VAL A 466 -6.111 -1.797 1.746 1.00 0.00 O ATOM 543 CB VAL A 466 -3.326 -3.335 0.885 1.00 0.00 C ATOM 544 CG1 VAL A 466 -2.954 -2.354 1.987 1.00 0.00 C ATOM 545 CG2 VAL A 466 -2.501 -4.608 0.992 1.00 0.00 C ATOM 0 H VAL A 466 -4.459 -4.844 -0.754 1.00 0.00 H new ATOM 0 HA VAL A 466 -5.066 -4.106 1.903 1.00 0.00 H new ATOM 0 HB VAL A 466 -3.106 -2.867 -0.074 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -1.887 -2.136 1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -3.520 -1.431 1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -3.188 -2.791 2.958 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -1.441 -4.359 0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -2.723 -5.107 1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -2.747 -5.272 0.163 1.00 0.00 H new ATOM 555 N THR A 467 -5.756 -1.918 -0.473 1.00 0.00 N ATOM 556 CA THR A 467 -6.491 -0.695 -0.768 1.00 0.00 C ATOM 557 C THR A 467 -7.905 -0.753 -0.200 1.00 0.00 C ATOM 558 O THR A 467 -8.393 0.220 0.374 1.00 0.00 O ATOM 559 CB THR A 467 -6.570 -0.439 -2.285 1.00 0.00 C ATOM 560 OG1 THR A 467 -5.253 -0.281 -2.824 1.00 0.00 O ATOM 561 CG2 THR A 467 -7.397 0.803 -2.581 1.00 0.00 C ATOM 0 H THR A 467 -5.361 -2.380 -1.292 1.00 0.00 H new ATOM 0 HA THR A 467 -5.946 0.123 -0.297 1.00 0.00 H new ATOM 0 HB THR A 467 -7.053 -1.298 -2.752 1.00 0.00 H new ATOM 0 HG1 THR A 467 -4.773 -1.134 -2.769 1.00 0.00 H new ATOM 0 HG21 THR A 467 -7.439 0.964 -3.658 1.00 0.00 H new ATOM 0 HG22 THR A 467 -8.407 0.668 -2.195 1.00 0.00 H new ATOM 0 HG23 THR A 467 -6.938 1.668 -2.102 1.00 0.00 H new ATOM 569 N GLU A 468 -8.557 -1.900 -0.364 1.00 0.00 N ATOM 570 CA GLU A 468 -9.916 -2.083 0.134 1.00 0.00 C ATOM 571 C GLU A 468 -9.931 -2.163 1.657 1.00 0.00 C ATOM 572 O GLU A 468 -10.816 -1.609 2.309 1.00 0.00 O ATOM 573 CB GLU A 468 -10.534 -3.350 -0.461 1.00 0.00 C ATOM 574 CG GLU A 468 -10.549 -3.365 -1.980 1.00 0.00 C ATOM 575 CD GLU A 468 -11.220 -4.602 -2.545 1.00 0.00 C ATOM 576 OE1 GLU A 468 -10.760 -5.721 -2.236 1.00 0.00 O ATOM 577 OE2 GLU A 468 -12.206 -4.450 -3.296 1.00 0.00 O ATOM 0 H GLU A 468 -8.167 -2.715 -0.837 1.00 0.00 H new ATOM 0 HA GLU A 468 -10.508 -1.220 -0.173 1.00 0.00 H new ATOM 0 HB2 GLU A 468 -9.979 -4.217 -0.103 1.00 0.00 H new ATOM 0 HB3 GLU A 468 -11.556 -3.452 -0.095 1.00 0.00 H new ATOM 0 HG2 GLU A 468 -11.067 -2.477 -2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 468 -9.525 -3.310 -2.350 1.00 0.00 H new ATOM 584 N GLU A 469 -8.945 -2.857 2.218 1.00 0.00 N ATOM 585 CA GLU A 469 -8.847 -3.011 3.664 1.00 0.00 C ATOM 586 C GLU A 469 -8.705 -1.654 4.347 1.00 0.00 C ATOM 587 O GLU A 469 -9.201 -1.450 5.456 1.00 0.00 O ATOM 588 CB GLU A 469 -7.657 -3.903 4.025 1.00 0.00 C ATOM 589 CG GLU A 469 -7.589 -4.261 5.500 1.00 0.00 C ATOM 590 CD GLU A 469 -8.754 -5.125 5.944 1.00 0.00 C ATOM 591 OE1 GLU A 469 -8.844 -6.283 5.485 1.00 0.00 O ATOM 592 OE2 GLU A 469 -9.576 -4.642 6.751 1.00 0.00 O ATOM 0 H GLU A 469 -8.204 -3.321 1.693 1.00 0.00 H new ATOM 0 HA GLU A 469 -9.765 -3.482 4.017 1.00 0.00 H new ATOM 0 HB2 GLU A 469 -7.711 -4.821 3.439 1.00 0.00 H new ATOM 0 HB3 GLU A 469 -6.735 -3.397 3.740 1.00 0.00 H new ATOM 0 HG2 GLU A 469 -6.655 -4.786 5.700 1.00 0.00 H new ATOM 0 HG3 GLU A 469 -7.574 -3.346 6.092 1.00 0.00 H new ATOM 599 N CYS A 470 -8.024 -0.730 3.678 1.00 0.00 N ATOM 600 CA CYS A 470 -7.814 0.608 4.220 1.00 0.00 C ATOM 601 C CYS A 470 -8.975 1.529 3.858 1.00 0.00 C ATOM 602 O CYS A 470 -9.276 2.478 4.580 1.00 0.00 O ATOM 603 CB CYS A 470 -6.501 1.192 3.699 1.00 0.00 C ATOM 604 SG CYS A 470 -5.021 0.430 4.405 1.00 0.00 S ATOM 0 H CYS A 470 -7.608 -0.883 2.759 1.00 0.00 H new ATOM 0 HA CYS A 470 -7.761 0.530 5.306 1.00 0.00 H new ATOM 0 HB2 CYS A 470 -6.472 1.081 2.615 1.00 0.00 H new ATOM 0 HB3 CYS A 470 -6.482 2.261 3.911 1.00 0.00 H new ATOM 0 HG CYS A 470 -4.123 0.285 3.477 1.00 0.00 H new ATOM 610 N GLY A 471 -9.622 1.242 2.732 1.00 0.00 N ATOM 611 CA GLY A 471 -10.741 2.056 2.292 1.00 0.00 C ATOM 612 C GLY A 471 -11.696 2.387 3.422 1.00 0.00 C ATOM 613 O GLY A 471 -12.206 3.505 3.506 1.00 0.00 O ATOM 0 H GLY A 471 -9.392 0.461 2.117 1.00 0.00 H new ATOM 0 HA2 GLY A 471 -10.364 2.981 1.856 1.00 0.00 H new ATOM 0 HA3 GLY A 471 -11.282 1.530 1.505 1.00 0.00 H new ATOM 617 N LYS A 472 -11.940 1.414 4.293 1.00 0.00 N ATOM 618 CA LYS A 472 -12.841 1.607 5.423 1.00 0.00 C ATOM 619 C LYS A 472 -12.488 2.878 6.189 1.00 0.00 C ATOM 620 O LYS A 472 -13.224 3.864 6.149 1.00 0.00 O ATOM 621 CB LYS A 472 -12.781 0.400 6.361 1.00 0.00 C ATOM 622 CG LYS A 472 -13.695 -0.740 5.946 1.00 0.00 C ATOM 623 CD LYS A 472 -12.984 -1.718 5.027 1.00 0.00 C ATOM 624 CE LYS A 472 -12.312 -2.833 5.813 1.00 0.00 C ATOM 625 NZ LYS A 472 -12.256 -4.103 5.037 1.00 0.00 N ATOM 0 H LYS A 472 -11.526 0.483 4.238 1.00 0.00 H new ATOM 0 HA LYS A 472 -13.855 1.708 5.035 1.00 0.00 H new ATOM 0 HB2 LYS A 472 -11.755 0.035 6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 472 -13.048 0.720 7.368 1.00 0.00 H new ATOM 0 HG2 LYS A 472 -14.049 -1.265 6.833 1.00 0.00 H new ATOM 0 HG3 LYS A 472 -14.573 -0.338 5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 472 -13.700 -2.146 4.326 1.00 0.00 H new ATOM 0 HD3 LYS A 472 -12.238 -1.187 4.436 1.00 0.00 H new ATOM 0 HE2 LYS A 472 -11.301 -2.528 6.084 1.00 0.00 H new ATOM 0 HE3 LYS A 472 -12.855 -3.000 6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 472 -11.426 -4.655 5.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 472 -13.120 -4.655 5.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 472 -12.183 -3.887 4.022 1.00 0.00 H new ATOM 639 N PHE A 473 -11.357 2.848 6.886 1.00 0.00 N ATOM 640 CA PHE A 473 -10.906 3.998 7.661 1.00 0.00 C ATOM 641 C PHE A 473 -11.190 5.300 6.918 1.00 0.00 C ATOM 642 O PHE A 473 -11.806 6.216 7.460 1.00 0.00 O ATOM 643 CB PHE A 473 -9.410 3.884 7.960 1.00 0.00 C ATOM 644 CG PHE A 473 -8.979 2.497 8.344 1.00 0.00 C ATOM 645 CD1 PHE A 473 -9.301 1.976 9.586 1.00 0.00 C ATOM 646 CD2 PHE A 473 -8.252 1.714 7.461 1.00 0.00 C ATOM 647 CE1 PHE A 473 -8.907 0.700 9.942 1.00 0.00 C ATOM 648 CE2 PHE A 473 -7.856 0.438 7.811 1.00 0.00 C ATOM 649 CZ PHE A 473 -8.182 -0.070 9.054 1.00 0.00 C ATOM 0 H PHE A 473 -10.736 2.040 6.930 1.00 0.00 H new ATOM 0 HA PHE A 473 -11.457 4.009 8.601 1.00 0.00 H new ATOM 0 HB2 PHE A 473 -8.847 4.201 7.082 1.00 0.00 H new ATOM 0 HB3 PHE A 473 -9.156 4.571 8.767 1.00 0.00 H new ATOM 0 HD1 PHE A 473 -9.867 2.574 10.285 1.00 0.00 H new ATOM 0 HD2 PHE A 473 -7.992 2.106 6.489 1.00 0.00 H new ATOM 0 HE1 PHE A 473 -9.166 0.306 10.914 1.00 0.00 H new ATOM 0 HE2 PHE A 473 -7.292 -0.163 7.113 1.00 0.00 H new ATOM 0 HZ PHE A 473 -7.871 -1.067 9.330 1.00 0.00 H new ATOM 659 N GLY A 474 -10.733 5.375 5.671 1.00 0.00 N ATOM 660 CA GLY A 474 -10.947 6.568 4.873 1.00 0.00 C ATOM 661 C GLY A 474 -10.503 6.390 3.435 1.00 0.00 C ATOM 662 O GLY A 474 -10.185 5.280 3.009 1.00 0.00 O ATOM 0 H GLY A 474 -10.219 4.631 5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 474 -12.005 6.830 4.894 1.00 0.00 H new ATOM 0 HA3 GLY A 474 -10.403 7.401 5.318 1.00 0.00 H new ATOM 666 N ALA A 475 -10.483 7.486 2.683 1.00 0.00 N ATOM 667 CA ALA A 475 -10.074 7.446 1.285 1.00 0.00 C ATOM 668 C ALA A 475 -8.577 7.187 1.157 1.00 0.00 C ATOM 669 O ALA A 475 -7.757 8.012 1.561 1.00 0.00 O ATOM 670 CB ALA A 475 -10.448 8.746 0.588 1.00 0.00 C ATOM 0 H ALA A 475 -10.745 8.413 3.019 1.00 0.00 H new ATOM 0 HA ALA A 475 -10.601 6.623 0.802 1.00 0.00 H new ATOM 0 HB1 ALA A 475 -10.136 8.702 -0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 475 -11.527 8.889 0.639 1.00 0.00 H new ATOM 0 HB3 ALA A 475 -9.948 9.580 1.081 1.00 0.00 H new ATOM 676 N VAL A 476 -8.226 6.036 0.593 1.00 0.00 N ATOM 677 CA VAL A 476 -6.827 5.668 0.412 1.00 0.00 C ATOM 678 C VAL A 476 -6.235 6.347 -0.818 1.00 0.00 C ATOM 679 O VAL A 476 -6.774 6.240 -1.919 1.00 0.00 O ATOM 680 CB VAL A 476 -6.661 4.143 0.272 1.00 0.00 C ATOM 681 CG1 VAL A 476 -5.197 3.781 0.073 1.00 0.00 C ATOM 682 CG2 VAL A 476 -7.234 3.432 1.489 1.00 0.00 C ATOM 0 H VAL A 476 -8.892 5.342 0.253 1.00 0.00 H new ATOM 0 HA VAL A 476 -6.294 6.004 1.301 1.00 0.00 H new ATOM 0 HB VAL A 476 -7.214 3.813 -0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.099 2.700 -0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -4.823 4.262 -0.831 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -4.618 4.122 0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -7.109 2.355 1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -6.710 3.765 2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -8.295 3.666 1.581 1.00 0.00 H new ATOM 692 N ASN A 477 -5.122 7.047 -0.623 1.00 0.00 N ATOM 693 CA ASN A 477 -4.456 7.745 -1.717 1.00 0.00 C ATOM 694 C ASN A 477 -3.679 6.767 -2.593 1.00 0.00 C ATOM 695 O ASN A 477 -3.798 6.785 -3.818 1.00 0.00 O ATOM 696 CB ASN A 477 -3.512 8.815 -1.166 1.00 0.00 C ATOM 697 CG ASN A 477 -4.207 10.146 -0.954 1.00 0.00 C ATOM 698 OD1 ASN A 477 -3.603 11.207 -1.110 1.00 0.00 O ATOM 699 ND2 ASN A 477 -5.485 10.095 -0.596 1.00 0.00 N ATOM 0 H ASN A 477 -4.662 7.146 0.282 1.00 0.00 H new ATOM 0 HA ASN A 477 -5.220 8.224 -2.329 1.00 0.00 H new ATOM 0 HB2 ASN A 477 -3.092 8.473 -0.220 1.00 0.00 H new ATOM 0 HB3 ASN A 477 -2.678 8.949 -1.855 1.00 0.00 H new ATOM 0 HD21 ASN A 477 -6.005 10.958 -0.439 1.00 0.00 H new ATOM 0 HD22 ASN A 477 -5.946 9.193 -0.478 1.00 0.00 H new ATOM 706 N ARG A 478 -2.884 5.913 -1.956 1.00 0.00 N ATOM 707 CA ARG A 478 -2.087 4.928 -2.676 1.00 0.00 C ATOM 708 C ARG A 478 -1.414 3.960 -1.708 1.00 0.00 C ATOM 709 O ARG A 478 -1.481 4.135 -0.491 1.00 0.00 O ATOM 710 CB ARG A 478 -1.030 5.625 -3.535 1.00 0.00 C ATOM 711 CG ARG A 478 0.001 6.395 -2.725 1.00 0.00 C ATOM 712 CD ARG A 478 1.163 6.851 -3.593 1.00 0.00 C ATOM 713 NE ARG A 478 0.837 8.053 -4.356 1.00 0.00 N ATOM 714 CZ ARG A 478 0.690 9.254 -3.808 1.00 0.00 C ATOM 715 NH1 ARG A 478 0.840 9.412 -2.500 1.00 0.00 N ATOM 716 NH2 ARG A 478 0.393 10.300 -4.569 1.00 0.00 N ATOM 0 H ARG A 478 -2.775 5.884 -0.942 1.00 0.00 H new ATOM 0 HA ARG A 478 -2.755 4.361 -3.324 1.00 0.00 H new ATOM 0 HB2 ARG A 478 -0.519 4.879 -4.143 1.00 0.00 H new ATOM 0 HB3 ARG A 478 -1.526 6.311 -4.222 1.00 0.00 H new ATOM 0 HG2 ARG A 478 -0.471 7.262 -2.263 1.00 0.00 H new ATOM 0 HG3 ARG A 478 0.374 5.766 -1.917 1.00 0.00 H new ATOM 0 HD2 ARG A 478 2.031 7.046 -2.963 1.00 0.00 H new ATOM 0 HD3 ARG A 478 1.439 6.050 -4.279 1.00 0.00 H new ATOM 0 HE ARG A 478 0.716 7.965 -5.365 1.00 0.00 H new ATOM 0 HH11 ARG A 478 1.069 8.610 -1.912 1.00 0.00 H new ATOM 0 HH12 ARG A 478 0.727 10.335 -2.082 1.00 0.00 H new ATOM 0 HH21 ARG A 478 0.277 10.182 -5.576 1.00 0.00 H new ATOM 0 HH22 ARG A 478 0.280 11.222 -4.147 1.00 0.00 H new ATOM 730 N VAL A 479 -0.765 2.938 -2.257 1.00 0.00 N ATOM 731 CA VAL A 479 -0.079 1.942 -1.442 1.00 0.00 C ATOM 732 C VAL A 479 1.175 1.430 -2.141 1.00 0.00 C ATOM 733 O VAL A 479 1.116 0.953 -3.274 1.00 0.00 O ATOM 734 CB VAL A 479 -0.999 0.748 -1.122 1.00 0.00 C ATOM 735 CG1 VAL A 479 -0.269 -0.273 -0.263 1.00 0.00 C ATOM 736 CG2 VAL A 479 -2.269 1.224 -0.435 1.00 0.00 C ATOM 0 H VAL A 479 -0.700 2.778 -3.262 1.00 0.00 H new ATOM 0 HA VAL A 479 0.202 2.434 -0.511 1.00 0.00 H new ATOM 0 HB VAL A 479 -1.279 0.266 -2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 479 -0.934 -1.109 -0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 479 0.609 -0.636 -0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 479 0.042 0.194 0.672 1.00 0.00 H new ATOM 0 HG21 VAL A 479 -2.907 0.368 -0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 479 -2.011 1.732 0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 479 -2.800 1.914 -1.090 1.00 0.00 H new ATOM 746 N ILE A 480 2.310 1.532 -1.457 1.00 0.00 N ATOM 747 CA ILE A 480 3.579 1.078 -2.012 1.00 0.00 C ATOM 748 C ILE A 480 4.120 -0.120 -1.238 1.00 0.00 C ATOM 749 O ILE A 480 4.323 -0.049 -0.026 1.00 0.00 O ATOM 750 CB ILE A 480 4.633 2.200 -1.999 1.00 0.00 C ATOM 751 CG1 ILE A 480 4.200 3.346 -2.916 1.00 0.00 C ATOM 752 CG2 ILE A 480 5.990 1.658 -2.425 1.00 0.00 C ATOM 753 CD1 ILE A 480 4.816 4.678 -2.551 1.00 0.00 C ATOM 0 H ILE A 480 2.376 1.925 -0.518 1.00 0.00 H new ATOM 0 HA ILE A 480 3.385 0.785 -3.044 1.00 0.00 H new ATOM 0 HB ILE A 480 4.720 2.585 -0.983 1.00 0.00 H new ATOM 0 HG12 ILE A 480 4.469 3.100 -3.943 1.00 0.00 H new ATOM 0 HG13 ILE A 480 3.114 3.436 -2.884 1.00 0.00 H new ATOM 0 HG21 ILE A 480 6.724 2.463 -2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 480 6.300 0.872 -1.737 1.00 0.00 H new ATOM 0 HG23 ILE A 480 5.919 1.250 -3.433 1.00 0.00 H new ATOM 0 HD11 ILE A 480 4.465 5.443 -3.243 1.00 0.00 H new ATOM 0 HD12 ILE A 480 4.526 4.947 -1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 480 5.902 4.605 -2.611 1.00 0.00 H new ATOM 765 N ILE A 481 4.352 -1.220 -1.948 1.00 0.00 N ATOM 766 CA ILE A 481 4.872 -2.432 -1.328 1.00 0.00 C ATOM 767 C ILE A 481 6.383 -2.536 -1.507 1.00 0.00 C ATOM 768 O ILE A 481 6.874 -2.747 -2.617 1.00 0.00 O ATOM 769 CB ILE A 481 4.209 -3.693 -1.914 1.00 0.00 C ATOM 770 CG1 ILE A 481 2.699 -3.660 -1.670 1.00 0.00 C ATOM 771 CG2 ILE A 481 4.822 -4.945 -1.306 1.00 0.00 C ATOM 772 CD1 ILE A 481 1.938 -4.707 -2.454 1.00 0.00 C ATOM 0 H ILE A 481 4.188 -1.296 -2.952 1.00 0.00 H new ATOM 0 HA ILE A 481 4.638 -2.369 -0.265 1.00 0.00 H new ATOM 0 HB ILE A 481 4.385 -3.712 -2.990 1.00 0.00 H new ATOM 0 HG12 ILE A 481 2.508 -3.803 -0.607 1.00 0.00 H new ATOM 0 HG13 ILE A 481 2.318 -2.673 -1.932 1.00 0.00 H new ATOM 0 HG21 ILE A 481 4.343 -5.827 -1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 481 5.889 -4.971 -1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 481 4.674 -4.935 -0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 481 0.874 -4.625 -2.232 1.00 0.00 H new ATOM 0 HD12 ILE A 481 2.099 -4.551 -3.521 1.00 0.00 H new ATOM 0 HD13 ILE A 481 2.292 -5.699 -2.174 1.00 0.00 H new ATOM 784 N TYR A 482 7.115 -2.390 -0.409 1.00 0.00 N ATOM 785 CA TYR A 482 8.571 -2.467 -0.444 1.00 0.00 C ATOM 786 C TYR A 482 9.078 -3.603 0.439 1.00 0.00 C ATOM 787 O TYR A 482 8.626 -3.771 1.572 1.00 0.00 O ATOM 788 CB TYR A 482 9.184 -1.141 0.009 1.00 0.00 C ATOM 789 CG TYR A 482 10.583 -0.910 -0.517 1.00 0.00 C ATOM 790 CD1 TYR A 482 10.791 -0.355 -1.774 1.00 0.00 C ATOM 791 CD2 TYR A 482 11.696 -1.247 0.243 1.00 0.00 C ATOM 792 CE1 TYR A 482 12.067 -0.142 -2.258 1.00 0.00 C ATOM 793 CE2 TYR A 482 12.976 -1.037 -0.233 1.00 0.00 C ATOM 794 CZ TYR A 482 13.156 -0.485 -1.484 1.00 0.00 C ATOM 795 OH TYR A 482 14.429 -0.275 -1.962 1.00 0.00 O ATOM 0 H TYR A 482 6.724 -2.218 0.517 1.00 0.00 H new ATOM 0 HA TYR A 482 8.874 -2.667 -1.472 1.00 0.00 H new ATOM 0 HB2 TYR A 482 8.542 -0.323 -0.318 1.00 0.00 H new ATOM 0 HB3 TYR A 482 9.205 -1.113 1.098 1.00 0.00 H new ATOM 0 HD1 TYR A 482 9.941 -0.086 -2.383 1.00 0.00 H new ATOM 0 HD2 TYR A 482 11.558 -1.681 1.223 1.00 0.00 H new ATOM 0 HE1 TYR A 482 12.211 0.291 -3.237 1.00 0.00 H new ATOM 0 HE2 TYR A 482 13.831 -1.304 0.371 1.00 0.00 H new ATOM 0 HH TYR A 482 15.082 -0.570 -1.293 1.00 0.00 H new ATOM 805 N GLN A 483 10.020 -4.378 -0.088 1.00 0.00 N ATOM 806 CA GLN A 483 10.589 -5.498 0.653 1.00 0.00 C ATOM 807 C GLN A 483 12.077 -5.649 0.353 1.00 0.00 C ATOM 808 O GLN A 483 12.487 -5.660 -0.807 1.00 0.00 O ATOM 809 CB GLN A 483 9.853 -6.793 0.305 1.00 0.00 C ATOM 810 CG GLN A 483 10.012 -7.212 -1.147 1.00 0.00 C ATOM 811 CD GLN A 483 9.256 -8.485 -1.473 1.00 0.00 C ATOM 812 OE1 GLN A 483 9.856 -9.517 -1.775 1.00 0.00 O ATOM 813 NE2 GLN A 483 7.931 -8.419 -1.414 1.00 0.00 N ATOM 0 H GLN A 483 10.405 -4.252 -1.024 1.00 0.00 H new ATOM 0 HA GLN A 483 10.470 -5.295 1.717 1.00 0.00 H new ATOM 0 HB2 GLN A 483 10.220 -7.593 0.948 1.00 0.00 H new ATOM 0 HB3 GLN A 483 8.793 -6.669 0.524 1.00 0.00 H new ATOM 0 HG2 GLN A 483 9.659 -6.409 -1.794 1.00 0.00 H new ATOM 0 HG3 GLN A 483 11.070 -7.356 -1.366 1.00 0.00 H new ATOM 0 HE21 GLN A 483 7.475 -7.543 -1.159 1.00 0.00 H new ATOM 0 HE22 GLN A 483 7.369 -9.244 -1.623 1.00 0.00 H new ATOM 822 N GLU A 484 12.879 -5.764 1.407 1.00 0.00 N ATOM 823 CA GLU A 484 14.322 -5.912 1.255 1.00 0.00 C ATOM 824 C GLU A 484 14.945 -6.494 2.521 1.00 0.00 C ATOM 825 O GLU A 484 14.605 -6.093 3.635 1.00 0.00 O ATOM 826 CB GLU A 484 14.965 -4.562 0.930 1.00 0.00 C ATOM 827 CG GLU A 484 16.483 -4.580 0.995 1.00 0.00 C ATOM 828 CD GLU A 484 17.105 -5.390 -0.125 1.00 0.00 C ATOM 829 OE1 GLU A 484 16.781 -6.590 -0.240 1.00 0.00 O ATOM 830 OE2 GLU A 484 17.916 -4.824 -0.888 1.00 0.00 O ATOM 0 H GLU A 484 12.555 -5.758 2.374 1.00 0.00 H new ATOM 0 HA GLU A 484 14.506 -6.601 0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 484 14.656 -4.253 -0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 484 14.589 -3.813 1.626 1.00 0.00 H new ATOM 0 HG2 GLU A 484 16.857 -3.557 0.950 1.00 0.00 H new ATOM 0 HG3 GLU A 484 16.797 -4.992 1.954 1.00 0.00 H new ATOM 837 N LYS A 485 15.860 -7.441 2.342 1.00 0.00 N ATOM 838 CA LYS A 485 16.532 -8.078 3.468 1.00 0.00 C ATOM 839 C LYS A 485 17.120 -7.034 4.412 1.00 0.00 C ATOM 840 O LYS A 485 17.388 -5.903 4.010 1.00 0.00 O ATOM 841 CB LYS A 485 17.639 -9.009 2.967 1.00 0.00 C ATOM 842 CG LYS A 485 17.901 -10.191 3.883 1.00 0.00 C ATOM 843 CD LYS A 485 19.219 -10.871 3.553 1.00 0.00 C ATOM 844 CE LYS A 485 19.044 -11.930 2.475 1.00 0.00 C ATOM 845 NZ LYS A 485 18.173 -13.048 2.931 1.00 0.00 N ATOM 0 H LYS A 485 16.153 -7.784 1.427 1.00 0.00 H new ATOM 0 HA LYS A 485 15.794 -8.663 4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 485 17.370 -9.379 1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 485 18.560 -8.437 2.854 1.00 0.00 H new ATOM 0 HG2 LYS A 485 17.914 -9.853 4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 485 17.087 -10.910 3.792 1.00 0.00 H new ATOM 0 HD2 LYS A 485 19.941 -10.126 3.219 1.00 0.00 H new ATOM 0 HD3 LYS A 485 19.628 -11.330 4.453 1.00 0.00 H new ATOM 0 HE2 LYS A 485 18.612 -11.473 1.584 1.00 0.00 H new ATOM 0 HE3 LYS A 485 20.020 -12.323 2.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 485 18.701 -13.942 2.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 485 17.875 -12.877 3.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 485 17.334 -13.106 2.319 1.00 0.00 H new ATOM 950 N GLU A 493 16.621 -12.966 7.562 1.00 0.00 N ATOM 951 CA GLU A 493 15.244 -13.079 7.097 1.00 0.00 C ATOM 952 C GLU A 493 14.844 -11.857 6.275 1.00 0.00 C ATOM 953 O GLU A 493 15.444 -10.789 6.401 1.00 0.00 O ATOM 954 CB GLU A 493 14.293 -13.241 8.286 1.00 0.00 C ATOM 955 CG GLU A 493 12.860 -13.546 7.882 1.00 0.00 C ATOM 956 CD GLU A 493 12.692 -14.955 7.349 1.00 0.00 C ATOM 957 OE1 GLU A 493 13.383 -15.307 6.371 1.00 0.00 O ATOM 958 OE2 GLU A 493 11.867 -15.706 7.911 1.00 0.00 O ATOM 0 HA GLU A 493 15.174 -13.961 6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 493 14.659 -14.043 8.927 1.00 0.00 H new ATOM 0 HB3 GLU A 493 14.308 -12.327 8.879 1.00 0.00 H new ATOM 0 HG2 GLU A 493 12.206 -13.407 8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 493 12.541 -12.833 7.121 1.00 0.00 H new ATOM 965 N ILE A 494 13.830 -12.023 5.434 1.00 0.00 N ATOM 966 CA ILE A 494 13.350 -10.934 4.592 1.00 0.00 C ATOM 967 C ILE A 494 12.167 -10.220 5.237 1.00 0.00 C ATOM 968 O ILE A 494 11.189 -10.854 5.635 1.00 0.00 O ATOM 969 CB ILE A 494 12.932 -11.442 3.199 1.00 0.00 C ATOM 970 CG1 ILE A 494 14.121 -12.094 2.492 1.00 0.00 C ATOM 971 CG2 ILE A 494 12.374 -10.299 2.364 1.00 0.00 C ATOM 972 CD1 ILE A 494 15.178 -11.106 2.050 1.00 0.00 C ATOM 0 H ILE A 494 13.324 -12.901 5.317 1.00 0.00 H new ATOM 0 HA ILE A 494 14.177 -10.233 4.481 1.00 0.00 H new ATOM 0 HB ILE A 494 12.151 -12.192 3.321 1.00 0.00 H new ATOM 0 HG12 ILE A 494 14.575 -12.824 3.161 1.00 0.00 H new ATOM 0 HG13 ILE A 494 13.760 -12.641 1.621 1.00 0.00 H new ATOM 0 HG21 ILE A 494 12.083 -10.674 1.383 1.00 0.00 H new ATOM 0 HG22 ILE A 494 11.503 -9.875 2.863 1.00 0.00 H new ATOM 0 HG23 ILE A 494 13.136 -9.528 2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 494 15.991 -11.639 1.556 1.00 0.00 H new ATOM 0 HD12 ILE A 494 14.739 -10.390 1.355 1.00 0.00 H new ATOM 0 HD13 ILE A 494 15.567 -10.576 2.919 1.00 0.00 H new ATOM 984 N ILE A 495 12.263 -8.899 5.335 1.00 0.00 N ATOM 985 CA ILE A 495 11.199 -8.098 5.928 1.00 0.00 C ATOM 986 C ILE A 495 10.256 -7.557 4.859 1.00 0.00 C ATOM 987 O ILE A 495 10.562 -7.600 3.667 1.00 0.00 O ATOM 988 CB ILE A 495 11.768 -6.920 6.740 1.00 0.00 C ATOM 989 CG1 ILE A 495 12.368 -5.870 5.804 1.00 0.00 C ATOM 990 CG2 ILE A 495 12.812 -7.414 7.731 1.00 0.00 C ATOM 991 CD1 ILE A 495 11.336 -4.962 5.172 1.00 0.00 C ATOM 0 H ILE A 495 13.066 -8.360 5.012 1.00 0.00 H new ATOM 0 HA ILE A 495 10.645 -8.756 6.597 1.00 0.00 H new ATOM 0 HB ILE A 495 10.955 -6.458 7.300 1.00 0.00 H new ATOM 0 HG12 ILE A 495 13.081 -5.263 6.362 1.00 0.00 H new ATOM 0 HG13 ILE A 495 12.927 -6.375 5.016 1.00 0.00 H new ATOM 0 HG21 ILE A 495 13.205 -6.569 8.297 1.00 0.00 H new ATOM 0 HG22 ILE A 495 12.355 -8.129 8.415 1.00 0.00 H new ATOM 0 HG23 ILE A 495 13.626 -7.898 7.191 1.00 0.00 H new ATOM 0 HD11 ILE A 495 11.834 -4.243 4.521 1.00 0.00 H new ATOM 0 HD12 ILE A 495 10.637 -5.558 4.586 1.00 0.00 H new ATOM 0 HD13 ILE A 495 10.793 -4.429 5.953 1.00 0.00 H new ATOM 1003 N VAL A 496 9.109 -7.045 5.294 1.00 0.00 N ATOM 1004 CA VAL A 496 8.122 -6.491 4.374 1.00 0.00 C ATOM 1005 C VAL A 496 7.490 -5.226 4.943 1.00 0.00 C ATOM 1006 O VAL A 496 6.774 -5.272 5.944 1.00 0.00 O ATOM 1007 CB VAL A 496 7.011 -7.512 4.063 1.00 0.00 C ATOM 1008 CG1 VAL A 496 5.934 -6.880 3.193 1.00 0.00 C ATOM 1009 CG2 VAL A 496 7.594 -8.746 3.392 1.00 0.00 C ATOM 0 H VAL A 496 8.840 -7.002 6.277 1.00 0.00 H new ATOM 0 HA VAL A 496 8.650 -6.247 3.452 1.00 0.00 H new ATOM 0 HB VAL A 496 6.552 -7.821 5.002 1.00 0.00 H new ATOM 0 HG11 VAL A 496 5.158 -7.616 2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 496 5.496 -6.030 3.716 1.00 0.00 H new ATOM 0 HG13 VAL A 496 6.376 -6.541 2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 496 6.795 -9.456 3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 496 8.081 -8.458 2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 496 8.325 -9.209 4.055 1.00 0.00 H new ATOM 1019 N LYS A 497 7.759 -4.096 4.298 1.00 0.00 N ATOM 1020 CA LYS A 497 7.216 -2.816 4.738 1.00 0.00 C ATOM 1021 C LYS A 497 6.165 -2.306 3.757 1.00 0.00 C ATOM 1022 O LYS A 497 6.468 -2.031 2.596 1.00 0.00 O ATOM 1023 CB LYS A 497 8.337 -1.785 4.882 1.00 0.00 C ATOM 1024 CG LYS A 497 9.188 -1.981 6.124 1.00 0.00 C ATOM 1025 CD LYS A 497 10.398 -1.062 6.123 1.00 0.00 C ATOM 1026 CE LYS A 497 10.919 -0.824 7.532 1.00 0.00 C ATOM 1027 NZ LYS A 497 11.473 -2.067 8.136 1.00 0.00 N ATOM 0 H LYS A 497 8.350 -4.040 3.468 1.00 0.00 H new ATOM 0 HA LYS A 497 6.742 -2.965 5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 497 8.978 -1.832 4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 497 7.900 -0.787 4.905 1.00 0.00 H new ATOM 0 HG2 LYS A 497 8.586 -1.790 7.012 1.00 0.00 H new ATOM 0 HG3 LYS A 497 9.518 -3.018 6.180 1.00 0.00 H new ATOM 0 HD2 LYS A 497 11.187 -1.499 5.511 1.00 0.00 H new ATOM 0 HD3 LYS A 497 10.132 -0.109 5.667 1.00 0.00 H new ATOM 0 HE2 LYS A 497 11.692 -0.056 7.508 1.00 0.00 H new ATOM 0 HE3 LYS A 497 10.112 -0.444 8.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 497 11.818 -1.863 9.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 497 10.729 -2.792 8.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 497 12.260 -2.416 7.552 1.00 0.00 H new ATOM 1041 N ILE A 498 4.930 -2.180 4.232 1.00 0.00 N ATOM 1042 CA ILE A 498 3.836 -1.701 3.398 1.00 0.00 C ATOM 1043 C ILE A 498 3.489 -0.252 3.725 1.00 0.00 C ATOM 1044 O ILE A 498 3.250 0.094 4.882 1.00 0.00 O ATOM 1045 CB ILE A 498 2.576 -2.569 3.567 1.00 0.00 C ATOM 1046 CG1 ILE A 498 2.881 -4.025 3.209 1.00 0.00 C ATOM 1047 CG2 ILE A 498 1.442 -2.033 2.706 1.00 0.00 C ATOM 1048 CD1 ILE A 498 1.817 -4.997 3.668 1.00 0.00 C ATOM 0 H ILE A 498 4.663 -2.403 5.191 1.00 0.00 H new ATOM 0 HA ILE A 498 4.176 -1.767 2.364 1.00 0.00 H new ATOM 0 HB ILE A 498 2.263 -2.528 4.610 1.00 0.00 H new ATOM 0 HG12 ILE A 498 2.996 -4.108 2.128 1.00 0.00 H new ATOM 0 HG13 ILE A 498 3.835 -4.307 3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 498 0.559 -2.658 2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 498 1.211 -1.011 3.004 1.00 0.00 H new ATOM 0 HG23 ILE A 498 1.743 -2.046 1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 498 2.100 -6.009 3.380 1.00 0.00 H new ATOM 0 HD12 ILE A 498 1.718 -4.943 4.752 1.00 0.00 H new ATOM 0 HD13 ILE A 498 0.865 -4.740 3.203 1.00 0.00 H new ATOM 1060 N PHE A 499 3.462 0.591 2.698 1.00 0.00 N ATOM 1061 CA PHE A 499 3.143 2.002 2.876 1.00 0.00 C ATOM 1062 C PHE A 499 1.695 2.286 2.488 1.00 0.00 C ATOM 1063 O PHE A 499 1.260 1.956 1.385 1.00 0.00 O ATOM 1064 CB PHE A 499 4.086 2.870 2.039 1.00 0.00 C ATOM 1065 CG PHE A 499 5.539 2.631 2.334 1.00 0.00 C ATOM 1066 CD1 PHE A 499 6.123 3.152 3.478 1.00 0.00 C ATOM 1067 CD2 PHE A 499 6.322 1.885 1.468 1.00 0.00 C ATOM 1068 CE1 PHE A 499 7.460 2.935 3.751 1.00 0.00 C ATOM 1069 CE2 PHE A 499 7.660 1.664 1.736 1.00 0.00 C ATOM 1070 CZ PHE A 499 8.229 2.189 2.880 1.00 0.00 C ATOM 0 H PHE A 499 3.657 0.321 1.734 1.00 0.00 H new ATOM 0 HA PHE A 499 3.273 2.247 3.930 1.00 0.00 H new ATOM 0 HB2 PHE A 499 3.902 2.678 0.982 1.00 0.00 H new ATOM 0 HB3 PHE A 499 3.855 3.920 2.217 1.00 0.00 H new ATOM 0 HD1 PHE A 499 5.526 3.734 4.164 1.00 0.00 H new ATOM 0 HD2 PHE A 499 5.882 1.471 0.573 1.00 0.00 H new ATOM 0 HE1 PHE A 499 7.903 3.349 4.645 1.00 0.00 H new ATOM 0 HE2 PHE A 499 8.260 1.082 1.052 1.00 0.00 H new ATOM 0 HZ PHE A 499 9.274 2.016 3.093 1.00 0.00 H new ATOM 1080 N VAL A 500 0.952 2.900 3.404 1.00 0.00 N ATOM 1081 CA VAL A 500 -0.447 3.229 3.158 1.00 0.00 C ATOM 1082 C VAL A 500 -0.692 4.728 3.300 1.00 0.00 C ATOM 1083 O VAL A 500 -0.794 5.247 4.410 1.00 0.00 O ATOM 1084 CB VAL A 500 -1.379 2.475 4.125 1.00 0.00 C ATOM 1085 CG1 VAL A 500 -2.836 2.763 3.796 1.00 0.00 C ATOM 1086 CG2 VAL A 500 -1.098 0.980 4.077 1.00 0.00 C ATOM 0 H VAL A 500 1.296 3.179 4.323 1.00 0.00 H new ATOM 0 HA VAL A 500 -0.670 2.922 2.136 1.00 0.00 H new ATOM 0 HB VAL A 500 -1.185 2.826 5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 500 -3.479 2.222 4.490 1.00 0.00 H new ATOM 0 HG12 VAL A 500 -3.025 3.833 3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -3.049 2.441 2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 500 -1.765 0.462 4.766 1.00 0.00 H new ATOM 0 HG22 VAL A 500 -1.264 0.611 3.065 1.00 0.00 H new ATOM 0 HG23 VAL A 500 -0.063 0.795 4.366 1.00 0.00 H new ATOM 1096 N GLU A 501 -0.786 5.416 2.166 1.00 0.00 N ATOM 1097 CA GLU A 501 -1.019 6.855 2.165 1.00 0.00 C ATOM 1098 C GLU A 501 -2.503 7.166 1.992 1.00 0.00 C ATOM 1099 O GLU A 501 -3.154 6.654 1.081 1.00 0.00 O ATOM 1100 CB GLU A 501 -0.214 7.523 1.048 1.00 0.00 C ATOM 1101 CG GLU A 501 -0.563 8.987 0.838 1.00 0.00 C ATOM 1102 CD GLU A 501 0.168 9.905 1.798 1.00 0.00 C ATOM 1103 OE1 GLU A 501 -0.181 9.909 2.997 1.00 0.00 O ATOM 1104 OE2 GLU A 501 1.089 10.619 1.350 1.00 0.00 O ATOM 0 H GLU A 501 -0.704 5.000 1.238 1.00 0.00 H new ATOM 0 HA GLU A 501 -0.692 7.251 3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 501 0.848 7.441 1.278 1.00 0.00 H new ATOM 0 HB3 GLU A 501 -0.381 6.981 0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 501 -0.320 9.271 -0.186 1.00 0.00 H new ATOM 0 HG3 GLU A 501 -1.638 9.121 0.960 1.00 0.00 H new ATOM 1111 N PHE A 502 -3.031 8.008 2.874 1.00 0.00 N ATOM 1112 CA PHE A 502 -4.439 8.386 2.821 1.00 0.00 C ATOM 1113 C PHE A 502 -4.595 9.840 2.383 1.00 0.00 C ATOM 1114 O PHE A 502 -3.612 10.518 2.085 1.00 0.00 O ATOM 1115 CB PHE A 502 -5.095 8.181 4.188 1.00 0.00 C ATOM 1116 CG PHE A 502 -5.141 6.743 4.621 1.00 0.00 C ATOM 1117 CD1 PHE A 502 -3.999 6.108 5.081 1.00 0.00 C ATOM 1118 CD2 PHE A 502 -6.326 6.028 4.568 1.00 0.00 C ATOM 1119 CE1 PHE A 502 -4.038 4.785 5.480 1.00 0.00 C ATOM 1120 CE2 PHE A 502 -6.372 4.705 4.966 1.00 0.00 C ATOM 1121 CZ PHE A 502 -5.226 4.083 5.423 1.00 0.00 C ATOM 0 H PHE A 502 -2.506 8.441 3.634 1.00 0.00 H new ATOM 0 HA PHE A 502 -4.934 7.748 2.088 1.00 0.00 H new ATOM 0 HB2 PHE A 502 -4.550 8.760 4.934 1.00 0.00 H new ATOM 0 HB3 PHE A 502 -6.111 8.576 4.158 1.00 0.00 H new ATOM 0 HD1 PHE A 502 -3.068 6.653 5.128 1.00 0.00 H new ATOM 0 HD2 PHE A 502 -7.225 6.510 4.212 1.00 0.00 H new ATOM 0 HE1 PHE A 502 -3.141 4.301 5.836 1.00 0.00 H new ATOM 0 HE2 PHE A 502 -7.302 4.158 4.920 1.00 0.00 H new ATOM 0 HZ PHE A 502 -5.259 3.050 5.735 1.00 0.00 H new ATOM 1131 N SER A 503 -5.838 10.310 2.345 1.00 0.00 N ATOM 1132 CA SER A 503 -6.125 11.680 1.939 1.00 0.00 C ATOM 1133 C SER A 503 -5.851 12.654 3.081 1.00 0.00 C ATOM 1134 O SER A 503 -5.302 13.736 2.870 1.00 0.00 O ATOM 1135 CB SER A 503 -7.580 11.806 1.484 1.00 0.00 C ATOM 1136 OG SER A 503 -8.458 11.870 2.595 1.00 0.00 O ATOM 0 H SER A 503 -6.662 9.762 2.591 1.00 0.00 H new ATOM 0 HA SER A 503 -5.469 11.930 1.106 1.00 0.00 H new ATOM 0 HB2 SER A 503 -7.697 12.700 0.872 1.00 0.00 H new ATOM 0 HB3 SER A 503 -7.843 10.954 0.857 1.00 0.00 H new ATOM 0 HG SER A 503 -8.665 10.962 2.901 1.00 0.00 H new ATOM 1142 N ILE A 504 -6.238 12.262 4.290 1.00 0.00 N ATOM 1143 CA ILE A 504 -6.034 13.098 5.466 1.00 0.00 C ATOM 1144 C ILE A 504 -5.337 12.322 6.579 1.00 0.00 C ATOM 1145 O ILE A 504 -5.346 11.092 6.591 1.00 0.00 O ATOM 1146 CB ILE A 504 -7.367 13.654 6.000 1.00 0.00 C ATOM 1147 CG1 ILE A 504 -8.367 12.517 6.219 1.00 0.00 C ATOM 1148 CG2 ILE A 504 -7.933 14.687 5.037 1.00 0.00 C ATOM 1149 CD1 ILE A 504 -9.693 12.979 6.782 1.00 0.00 C ATOM 0 H ILE A 504 -6.695 11.370 4.481 1.00 0.00 H new ATOM 0 HA ILE A 504 -5.401 13.930 5.155 1.00 0.00 H new ATOM 0 HB ILE A 504 -7.184 14.141 6.958 1.00 0.00 H new ATOM 0 HG12 ILE A 504 -8.541 12.009 5.270 1.00 0.00 H new ATOM 0 HG13 ILE A 504 -7.929 11.784 6.897 1.00 0.00 H new ATOM 0 HG21 ILE A 504 -8.875 15.071 5.428 1.00 0.00 H new ATOM 0 HG22 ILE A 504 -7.225 15.508 4.926 1.00 0.00 H new ATOM 0 HG23 ILE A 504 -8.105 14.223 4.066 1.00 0.00 H new ATOM 0 HD11 ILE A 504 -10.352 12.121 6.911 1.00 0.00 H new ATOM 0 HD12 ILE A 504 -9.531 13.461 7.746 1.00 0.00 H new ATOM 0 HD13 ILE A 504 -10.153 13.689 6.095 1.00 0.00 H new ATOM 1161 N ALA A 505 -4.736 13.050 7.514 1.00 0.00 N ATOM 1162 CA ALA A 505 -4.038 12.431 8.634 1.00 0.00 C ATOM 1163 C ALA A 505 -5.011 11.688 9.543 1.00 0.00 C ATOM 1164 O ALA A 505 -4.700 10.613 10.055 1.00 0.00 O ATOM 1165 CB ALA A 505 -3.271 13.481 9.423 1.00 0.00 C ATOM 0 H ALA A 505 -4.718 14.070 7.518 1.00 0.00 H new ATOM 0 HA ALA A 505 -3.330 11.706 8.234 1.00 0.00 H new ATOM 0 HB1 ALA A 505 -2.755 13.005 10.256 1.00 0.00 H new ATOM 0 HB2 ALA A 505 -2.542 13.964 8.773 1.00 0.00 H new ATOM 0 HB3 ALA A 505 -3.966 14.228 9.806 1.00 0.00 H new ATOM 1171 N SER A 506 -6.191 12.269 9.740 1.00 0.00 N ATOM 1172 CA SER A 506 -7.207 11.663 10.592 1.00 0.00 C ATOM 1173 C SER A 506 -7.383 10.184 10.262 1.00 0.00 C ATOM 1174 O SER A 506 -7.111 9.316 11.092 1.00 0.00 O ATOM 1175 CB SER A 506 -8.541 12.395 10.430 1.00 0.00 C ATOM 1176 OG SER A 506 -9.320 12.305 11.610 1.00 0.00 O ATOM 0 H SER A 506 -6.466 13.158 9.321 1.00 0.00 H new ATOM 0 HA SER A 506 -6.876 11.749 11.627 1.00 0.00 H new ATOM 0 HB2 SER A 506 -8.358 13.443 10.191 1.00 0.00 H new ATOM 0 HB3 SER A 506 -9.094 11.969 9.593 1.00 0.00 H new ATOM 0 HG SER A 506 -10.166 12.782 11.481 1.00 0.00 H new ATOM 1182 N GLU A 507 -7.838 9.906 9.045 1.00 0.00 N ATOM 1183 CA GLU A 507 -8.050 8.532 8.605 1.00 0.00 C ATOM 1184 C GLU A 507 -6.876 7.644 9.007 1.00 0.00 C ATOM 1185 O GLU A 507 -7.063 6.542 9.524 1.00 0.00 O ATOM 1186 CB GLU A 507 -8.246 8.483 7.088 1.00 0.00 C ATOM 1187 CG GLU A 507 -9.399 9.339 6.595 1.00 0.00 C ATOM 1188 CD GLU A 507 -9.369 9.550 5.094 1.00 0.00 C ATOM 1189 OE1 GLU A 507 -8.625 8.820 4.406 1.00 0.00 O ATOM 1190 OE2 GLU A 507 -10.090 10.446 4.607 1.00 0.00 O ATOM 0 H GLU A 507 -8.067 10.613 8.346 1.00 0.00 H new ATOM 0 HA GLU A 507 -8.950 8.157 9.092 1.00 0.00 H new ATOM 0 HB2 GLU A 507 -7.328 8.810 6.601 1.00 0.00 H new ATOM 0 HB3 GLU A 507 -8.417 7.450 6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 507 -10.341 8.867 6.873 1.00 0.00 H new ATOM 0 HG3 GLU A 507 -9.367 10.307 7.095 1.00 0.00 H new ATOM 1197 N THR A 508 -5.663 8.132 8.765 1.00 0.00 N ATOM 1198 CA THR A 508 -4.458 7.384 9.099 1.00 0.00 C ATOM 1199 C THR A 508 -4.368 7.127 10.599 1.00 0.00 C ATOM 1200 O THR A 508 -4.178 5.991 11.034 1.00 0.00 O ATOM 1201 CB THR A 508 -3.189 8.128 8.640 1.00 0.00 C ATOM 1202 OG1 THR A 508 -3.327 8.535 7.274 1.00 0.00 O ATOM 1203 CG2 THR A 508 -1.960 7.246 8.791 1.00 0.00 C ATOM 0 H THR A 508 -5.490 9.042 8.339 1.00 0.00 H new ATOM 0 HA THR A 508 -4.522 6.431 8.573 1.00 0.00 H new ATOM 0 HB THR A 508 -3.063 9.009 9.270 1.00 0.00 H new ATOM 0 HG1 THR A 508 -3.521 7.752 6.717 1.00 0.00 H new ATOM 0 HG21 THR A 508 -1.077 7.793 8.461 1.00 0.00 H new ATOM 0 HG22 THR A 508 -1.841 6.963 9.837 1.00 0.00 H new ATOM 0 HG23 THR A 508 -2.079 6.349 8.184 1.00 0.00 H new ATOM 1211 N HIS A 509 -4.507 8.190 11.386 1.00 0.00 N ATOM 1212 CA HIS A 509 -4.442 8.078 12.839 1.00 0.00 C ATOM 1213 C HIS A 509 -5.276 6.899 13.331 1.00 0.00 C ATOM 1214 O HIS A 509 -4.815 6.093 14.139 1.00 0.00 O ATOM 1215 CB HIS A 509 -4.931 9.371 13.492 1.00 0.00 C ATOM 1216 CG HIS A 509 -3.842 10.373 13.724 1.00 0.00 C ATOM 1217 ND1 HIS A 509 -3.254 10.574 14.955 1.00 0.00 N ATOM 1218 CD2 HIS A 509 -3.233 11.232 12.873 1.00 0.00 C ATOM 1219 CE1 HIS A 509 -2.332 11.515 14.852 1.00 0.00 C ATOM 1220 NE2 HIS A 509 -2.299 11.931 13.599 1.00 0.00 N ATOM 0 H HIS A 509 -4.665 9.137 11.042 1.00 0.00 H new ATOM 0 HA HIS A 509 -3.403 7.907 13.120 1.00 0.00 H new ATOM 0 HB2 HIS A 509 -5.698 9.820 12.861 1.00 0.00 H new ATOM 0 HB3 HIS A 509 -5.402 9.131 14.445 1.00 0.00 H new ATOM 0 HD2 HIS A 509 -3.442 11.347 11.820 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -1.711 11.882 15.656 1.00 0.00 H new ATOM 0 HE2 HIS A 509 -1.681 12.654 13.230 1.00 0.00 H new ATOM 1228 N LYS A 510 -6.507 6.805 12.838 1.00 0.00 N ATOM 1229 CA LYS A 510 -7.406 5.725 13.226 1.00 0.00 C ATOM 1230 C LYS A 510 -6.843 4.371 12.806 1.00 0.00 C ATOM 1231 O LYS A 510 -6.520 3.534 13.648 1.00 0.00 O ATOM 1232 CB LYS A 510 -8.786 5.932 12.599 1.00 0.00 C ATOM 1233 CG LYS A 510 -9.800 4.872 12.995 1.00 0.00 C ATOM 1234 CD LYS A 510 -10.990 4.858 12.050 1.00 0.00 C ATOM 1235 CE LYS A 510 -12.179 4.134 12.661 1.00 0.00 C ATOM 1236 NZ LYS A 510 -13.100 3.601 11.620 1.00 0.00 N ATOM 0 H LYS A 510 -6.904 7.464 12.169 1.00 0.00 H new ATOM 0 HA LYS A 510 -7.502 5.738 14.312 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -9.165 6.912 12.890 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -8.685 5.939 11.514 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -9.322 3.892 12.995 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -10.144 5.058 14.012 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -11.273 5.882 11.805 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -10.708 4.373 11.116 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -11.823 3.314 13.285 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -12.724 4.817 13.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -13.897 3.115 12.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -13.460 4.386 11.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -12.587 2.930 11.014 1.00 0.00 H new ATOM 1250 N ALA A 511 -6.729 4.163 11.498 1.00 0.00 N ATOM 1251 CA ALA A 511 -6.202 2.912 10.966 1.00 0.00 C ATOM 1252 C ALA A 511 -5.026 2.414 11.799 1.00 0.00 C ATOM 1253 O ALA A 511 -4.861 1.210 12.000 1.00 0.00 O ATOM 1254 CB ALA A 511 -5.785 3.090 9.514 1.00 0.00 C ATOM 0 H ALA A 511 -6.995 4.845 10.787 1.00 0.00 H new ATOM 0 HA ALA A 511 -6.992 2.163 11.016 1.00 0.00 H new ATOM 0 HB1 ALA A 511 -5.393 2.148 9.130 1.00 0.00 H new ATOM 0 HB2 ALA A 511 -6.649 3.392 8.922 1.00 0.00 H new ATOM 0 HB3 ALA A 511 -5.014 3.857 9.448 1.00 0.00 H new ATOM 1260 N ILE A 512 -4.211 3.346 12.281 1.00 0.00 N ATOM 1261 CA ILE A 512 -3.051 3.000 13.093 1.00 0.00 C ATOM 1262 C ILE A 512 -3.466 2.606 14.506 1.00 0.00 C ATOM 1263 O ILE A 512 -3.159 1.508 14.969 1.00 0.00 O ATOM 1264 CB ILE A 512 -2.050 4.169 13.171 1.00 0.00 C ATOM 1265 CG1 ILE A 512 -1.577 4.558 11.769 1.00 0.00 C ATOM 1266 CG2 ILE A 512 -0.867 3.795 14.051 1.00 0.00 C ATOM 1267 CD1 ILE A 512 -0.922 5.920 11.709 1.00 0.00 C ATOM 0 H ILE A 512 -4.332 4.346 12.123 1.00 0.00 H new ATOM 0 HA ILE A 512 -2.569 2.151 12.609 1.00 0.00 H new ATOM 0 HB ILE A 512 -2.551 5.029 13.616 1.00 0.00 H new ATOM 0 HG12 ILE A 512 -0.871 3.808 11.411 1.00 0.00 H new ATOM 0 HG13 ILE A 512 -2.429 4.543 11.090 1.00 0.00 H new ATOM 0 HG21 ILE A 512 -0.169 4.631 14.096 1.00 0.00 H new ATOM 0 HG22 ILE A 512 -1.220 3.562 15.056 1.00 0.00 H new ATOM 0 HG23 ILE A 512 -0.363 2.924 13.632 1.00 0.00 H new ATOM 0 HD11 ILE A 512 -0.612 6.130 10.685 1.00 0.00 H new ATOM 0 HD12 ILE A 512 -1.632 6.680 12.036 1.00 0.00 H new ATOM 0 HD13 ILE A 512 -0.050 5.933 12.362 1.00 0.00 H new ATOM 1279 N GLN A 513 -4.167 3.509 15.185 1.00 0.00 N ATOM 1280 CA GLN A 513 -4.626 3.254 16.545 1.00 0.00 C ATOM 1281 C GLN A 513 -5.165 1.834 16.681 1.00 0.00 C ATOM 1282 O GLN A 513 -5.096 1.233 17.753 1.00 0.00 O ATOM 1283 CB GLN A 513 -5.707 4.262 16.939 1.00 0.00 C ATOM 1284 CG GLN A 513 -5.164 5.651 17.236 1.00 0.00 C ATOM 1285 CD GLN A 513 -6.260 6.653 17.541 1.00 0.00 C ATOM 1286 OE1 GLN A 513 -7.341 6.606 16.953 1.00 0.00 O ATOM 1287 NE2 GLN A 513 -5.987 7.567 18.465 1.00 0.00 N ATOM 0 H GLN A 513 -4.429 4.423 14.815 1.00 0.00 H new ATOM 0 HA GLN A 513 -3.774 3.365 17.215 1.00 0.00 H new ATOM 0 HB2 GLN A 513 -6.438 4.331 16.134 1.00 0.00 H new ATOM 0 HB3 GLN A 513 -6.235 3.892 17.818 1.00 0.00 H new ATOM 0 HG2 GLN A 513 -4.481 5.596 18.084 1.00 0.00 H new ATOM 0 HG3 GLN A 513 -4.585 6.001 16.382 1.00 0.00 H new ATOM 0 HE21 GLN A 513 -5.078 7.569 18.927 1.00 0.00 H new ATOM 0 HE22 GLN A 513 -6.687 8.267 18.712 1.00 0.00 H new ATOM 1296 N ALA A 514 -5.701 1.303 15.587 1.00 0.00 N ATOM 1297 CA ALA A 514 -6.250 -0.048 15.584 1.00 0.00 C ATOM 1298 C ALA A 514 -5.223 -1.057 15.082 1.00 0.00 C ATOM 1299 O ALA A 514 -4.871 -2.003 15.787 1.00 0.00 O ATOM 1300 CB ALA A 514 -7.509 -0.103 14.731 1.00 0.00 C ATOM 0 H ALA A 514 -5.767 1.787 14.692 1.00 0.00 H new ATOM 0 HA ALA A 514 -6.507 -0.312 16.610 1.00 0.00 H new ATOM 0 HB1 ALA A 514 -7.909 -1.117 14.737 1.00 0.00 H new ATOM 0 HB2 ALA A 514 -8.253 0.583 15.136 1.00 0.00 H new ATOM 0 HB3 ALA A 514 -7.268 0.186 13.708 1.00 0.00 H new ATOM 1306 N LEU A 515 -4.746 -0.850 13.859 1.00 0.00 N ATOM 1307 CA LEU A 515 -3.759 -1.743 13.262 1.00 0.00 C ATOM 1308 C LEU A 515 -2.508 -1.830 14.129 1.00 0.00 C ATOM 1309 O LEU A 515 -1.654 -2.690 13.920 1.00 0.00 O ATOM 1310 CB LEU A 515 -3.389 -1.259 11.859 1.00 0.00 C ATOM 1311 CG LEU A 515 -4.473 -1.405 10.790 1.00 0.00 C ATOM 1312 CD1 LEU A 515 -4.291 -0.361 9.700 1.00 0.00 C ATOM 1313 CD2 LEU A 515 -4.453 -2.807 10.198 1.00 0.00 C ATOM 0 H LEU A 515 -5.027 -0.072 13.262 1.00 0.00 H new ATOM 0 HA LEU A 515 -4.199 -2.738 13.193 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -3.108 -0.208 11.922 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -2.506 -1.806 11.529 1.00 0.00 H new ATOM 0 HG LEU A 515 -5.444 -1.245 11.259 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -5.071 -0.480 8.948 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -4.357 0.636 10.136 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -3.314 -0.489 9.233 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -5.231 -2.893 9.439 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -3.480 -2.996 9.744 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -4.633 -3.538 10.987 1.00 0.00 H new ATOM 1325 N ASN A 516 -2.408 -0.934 15.106 1.00 0.00 N ATOM 1326 CA ASN A 516 -1.261 -0.910 16.007 1.00 0.00 C ATOM 1327 C ASN A 516 -1.143 -2.225 16.771 1.00 0.00 C ATOM 1328 O ASN A 516 -0.133 -2.488 17.423 1.00 0.00 O ATOM 1329 CB ASN A 516 -1.384 0.255 16.991 1.00 0.00 C ATOM 1330 CG ASN A 516 -2.532 0.072 17.965 1.00 0.00 C ATOM 1331 OD1 ASN A 516 -3.514 -0.605 17.662 1.00 0.00 O ATOM 1332 ND2 ASN A 516 -2.412 0.676 19.141 1.00 0.00 N ATOM 0 H ASN A 516 -3.107 -0.215 15.294 1.00 0.00 H new ATOM 0 HA ASN A 516 -0.361 -0.777 15.407 1.00 0.00 H new ATOM 0 HB2 ASN A 516 -0.452 0.357 17.547 1.00 0.00 H new ATOM 0 HB3 ASN A 516 -1.527 1.182 16.436 1.00 0.00 H new ATOM 0 HD21 ASN A 516 -3.152 0.589 19.837 1.00 0.00 H new ATOM 0 HD22 ASN A 516 -1.579 1.227 19.349 1.00 0.00 H new ATOM 1339 N GLY A 517 -2.183 -3.049 16.685 1.00 0.00 N ATOM 1340 CA GLY A 517 -2.176 -4.327 17.373 1.00 0.00 C ATOM 1341 C GLY A 517 -3.125 -5.329 16.745 1.00 0.00 C ATOM 1342 O GLY A 517 -3.471 -6.337 17.361 1.00 0.00 O ATOM 0 H GLY A 517 -3.030 -2.854 16.151 1.00 0.00 H new ATOM 0 HA2 GLY A 517 -1.165 -4.735 17.365 1.00 0.00 H new ATOM 0 HA3 GLY A 517 -2.451 -4.176 18.417 1.00 0.00 H new ATOM 1346 N ARG A 518 -3.549 -5.050 15.517 1.00 0.00 N ATOM 1347 CA ARG A 518 -4.467 -5.933 14.807 1.00 0.00 C ATOM 1348 C ARG A 518 -3.904 -7.349 14.724 1.00 0.00 C ATOM 1349 O ARG A 518 -2.689 -7.547 14.752 1.00 0.00 O ATOM 1350 CB ARG A 518 -4.738 -5.397 13.400 1.00 0.00 C ATOM 1351 CG ARG A 518 -5.929 -4.456 13.325 1.00 0.00 C ATOM 1352 CD ARG A 518 -7.240 -5.222 13.241 1.00 0.00 C ATOM 1353 NE ARG A 518 -8.339 -4.376 12.783 1.00 0.00 N ATOM 1354 CZ ARG A 518 -9.600 -4.787 12.707 1.00 0.00 C ATOM 1355 NH1 ARG A 518 -9.919 -6.025 13.058 1.00 0.00 N ATOM 1356 NH2 ARG A 518 -10.545 -3.959 12.281 1.00 0.00 N ATOM 0 H ARG A 518 -3.272 -4.220 14.993 1.00 0.00 H new ATOM 0 HA ARG A 518 -5.404 -5.965 15.363 1.00 0.00 H new ATOM 0 HB2 ARG A 518 -3.850 -4.875 13.042 1.00 0.00 H new ATOM 0 HB3 ARG A 518 -4.907 -6.237 12.727 1.00 0.00 H new ATOM 0 HG2 ARG A 518 -5.939 -3.810 14.203 1.00 0.00 H new ATOM 0 HG3 ARG A 518 -5.828 -3.809 12.454 1.00 0.00 H new ATOM 0 HD2 ARG A 518 -7.124 -6.066 12.561 1.00 0.00 H new ATOM 0 HD3 ARG A 518 -7.483 -5.633 14.221 1.00 0.00 H new ATOM 0 HE ARG A 518 -8.127 -3.417 12.506 1.00 0.00 H new ATOM 0 HH11 ARG A 518 -9.196 -6.664 13.387 1.00 0.00 H new ATOM 0 HH12 ARG A 518 -10.888 -6.338 12.999 1.00 0.00 H new ATOM 0 HH21 ARG A 518 -10.304 -3.005 12.011 1.00 0.00 H new ATOM 0 HH22 ARG A 518 -11.513 -4.276 12.223 1.00 0.00 H new ATOM 1370 N TRP A 519 -4.795 -8.329 14.622 1.00 0.00 N ATOM 1371 CA TRP A 519 -4.387 -9.726 14.536 1.00 0.00 C ATOM 1372 C TRP A 519 -4.616 -10.274 13.131 1.00 0.00 C ATOM 1373 O TRP A 519 -5.750 -10.333 12.655 1.00 0.00 O ATOM 1374 CB TRP A 519 -5.156 -10.567 15.556 1.00 0.00 C ATOM 1375 CG TRP A 519 -4.446 -10.702 16.870 1.00 0.00 C ATOM 1376 CD1 TRP A 519 -4.726 -10.030 18.025 1.00 0.00 C ATOM 1377 CD2 TRP A 519 -3.338 -11.561 17.161 1.00 0.00 C ATOM 1378 NE1 TRP A 519 -3.858 -10.419 19.017 1.00 0.00 N ATOM 1379 CE2 TRP A 519 -2.998 -11.358 18.512 1.00 0.00 C ATOM 1380 CE3 TRP A 519 -2.601 -12.482 16.412 1.00 0.00 C ATOM 1381 CZ2 TRP A 519 -1.953 -12.042 19.127 1.00 0.00 C ATOM 1382 CZ3 TRP A 519 -1.564 -13.161 17.024 1.00 0.00 C ATOM 1383 CH2 TRP A 519 -1.248 -12.939 18.370 1.00 0.00 C ATOM 0 H TRP A 519 -5.804 -8.182 14.597 1.00 0.00 H new ATOM 0 HA TRP A 519 -3.322 -9.782 14.759 1.00 0.00 H new ATOM 0 HB2 TRP A 519 -6.134 -10.117 15.724 1.00 0.00 H new ATOM 0 HB3 TRP A 519 -5.329 -11.560 15.141 1.00 0.00 H new ATOM 0 HD1 TRP A 519 -5.514 -9.300 18.142 1.00 0.00 H new ATOM 0 HE1 TRP A 519 -3.855 -10.066 19.974 1.00 0.00 H new ATOM 0 HE3 TRP A 519 -2.837 -12.660 15.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 519 -1.707 -11.871 20.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 519 -0.988 -13.875 16.454 1.00 0.00 H new ATOM 0 HH2 TRP A 519 -0.432 -13.486 18.820 1.00 0.00 H new ATOM 1394 N PHE A 520 -3.533 -10.675 12.473 1.00 0.00 N ATOM 1395 CA PHE A 520 -3.617 -11.217 11.122 1.00 0.00 C ATOM 1396 C PHE A 520 -3.865 -12.723 11.155 1.00 0.00 C ATOM 1397 O PHE A 520 -3.579 -13.388 12.151 1.00 0.00 O ATOM 1398 CB PHE A 520 -2.331 -10.918 10.349 1.00 0.00 C ATOM 1399 CG PHE A 520 -2.442 -11.187 8.875 1.00 0.00 C ATOM 1400 CD1 PHE A 520 -2.878 -10.198 8.008 1.00 0.00 C ATOM 1401 CD2 PHE A 520 -2.108 -12.428 8.357 1.00 0.00 C ATOM 1402 CE1 PHE A 520 -2.982 -10.444 6.652 1.00 0.00 C ATOM 1403 CE2 PHE A 520 -2.209 -12.679 7.002 1.00 0.00 C ATOM 1404 CZ PHE A 520 -2.645 -11.685 6.148 1.00 0.00 C ATOM 0 H PHE A 520 -2.587 -10.635 12.853 1.00 0.00 H new ATOM 0 HA PHE A 520 -4.456 -10.739 10.617 1.00 0.00 H new ATOM 0 HB2 PHE A 520 -2.060 -9.873 10.500 1.00 0.00 H new ATOM 0 HB3 PHE A 520 -1.521 -11.520 10.760 1.00 0.00 H new ATOM 0 HD1 PHE A 520 -3.139 -9.225 8.396 1.00 0.00 H new ATOM 0 HD2 PHE A 520 -1.765 -13.208 9.020 1.00 0.00 H new ATOM 0 HE1 PHE A 520 -3.327 -9.666 5.987 1.00 0.00 H new ATOM 0 HE2 PHE A 520 -1.947 -13.651 6.611 1.00 0.00 H new ATOM 0 HZ PHE A 520 -2.722 -11.878 5.088 1.00 0.00 H new ATOM 1414 N ALA A 521 -4.398 -13.253 10.060 1.00 0.00 N ATOM 1415 CA ALA A 521 -4.684 -14.679 9.962 1.00 0.00 C ATOM 1416 C ALA A 521 -3.457 -15.510 10.322 1.00 0.00 C ATOM 1417 O ALA A 521 -2.696 -15.923 9.448 1.00 0.00 O ATOM 1418 CB ALA A 521 -5.166 -15.026 8.561 1.00 0.00 C ATOM 0 H ALA A 521 -4.641 -12.716 9.227 1.00 0.00 H new ATOM 0 HA ALA A 521 -5.474 -14.916 10.675 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -5.376 -16.094 8.502 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -6.074 -14.465 8.339 1.00 0.00 H new ATOM 0 HB3 ALA A 521 -4.394 -14.768 7.836 1.00 0.00 H new ATOM 1424 N GLY A 522 -3.270 -15.751 11.616 1.00 0.00 N ATOM 1425 CA GLY A 522 -2.133 -16.531 12.069 1.00 0.00 C ATOM 1426 C GLY A 522 -0.861 -15.710 12.150 1.00 0.00 C ATOM 1427 O GLY A 522 0.241 -16.258 12.146 1.00 0.00 O ATOM 0 H GLY A 522 -3.886 -15.420 12.359 1.00 0.00 H new ATOM 0 HA2 GLY A 522 -2.353 -16.952 13.050 1.00 0.00 H new ATOM 0 HA3 GLY A 522 -1.978 -17.369 11.390 1.00 0.00 H new ATOM 1431 N ARG A 523 -1.014 -14.392 12.222 1.00 0.00 N ATOM 1432 CA ARG A 523 0.131 -13.493 12.301 1.00 0.00 C ATOM 1433 C ARG A 523 -0.233 -12.213 13.047 1.00 0.00 C ATOM 1434 O ARG A 523 -1.408 -11.930 13.281 1.00 0.00 O ATOM 1435 CB ARG A 523 0.637 -13.152 10.898 1.00 0.00 C ATOM 1436 CG ARG A 523 1.454 -14.263 10.259 1.00 0.00 C ATOM 1437 CD ARG A 523 2.809 -14.417 10.933 1.00 0.00 C ATOM 1438 NE ARG A 523 3.824 -13.561 10.325 1.00 0.00 N ATOM 1439 CZ ARG A 523 4.359 -13.791 9.131 1.00 0.00 C ATOM 1440 NH1 ARG A 523 3.977 -14.844 8.421 1.00 0.00 N ATOM 1441 NH2 ARG A 523 5.278 -12.966 8.645 1.00 0.00 N ATOM 0 H ARG A 523 -1.920 -13.923 12.227 1.00 0.00 H new ATOM 0 HA ARG A 523 0.923 -14.001 12.852 1.00 0.00 H new ATOM 0 HB2 ARG A 523 -0.216 -12.926 10.258 1.00 0.00 H new ATOM 0 HB3 ARG A 523 1.245 -12.249 10.950 1.00 0.00 H new ATOM 0 HG2 ARG A 523 0.905 -15.203 10.324 1.00 0.00 H new ATOM 0 HG3 ARG A 523 1.596 -14.049 9.200 1.00 0.00 H new ATOM 0 HD2 ARG A 523 2.717 -14.174 11.992 1.00 0.00 H new ATOM 0 HD3 ARG A 523 3.128 -15.457 10.871 1.00 0.00 H new ATOM 0 HE ARG A 523 4.139 -12.742 10.845 1.00 0.00 H new ATOM 0 HH11 ARG A 523 3.271 -15.480 8.791 1.00 0.00 H new ATOM 0 HH12 ARG A 523 4.390 -15.018 7.505 1.00 0.00 H new ATOM 0 HH21 ARG A 523 5.574 -12.155 9.188 1.00 0.00 H new ATOM 0 HH22 ARG A 523 5.689 -13.143 7.728 1.00 0.00 H new ATOM 1455 N LYS A 524 0.783 -11.442 13.419 1.00 0.00 N ATOM 1456 CA LYS A 524 0.572 -10.191 14.138 1.00 0.00 C ATOM 1457 C LYS A 524 0.817 -8.992 13.227 1.00 0.00 C ATOM 1458 O LYS A 524 1.672 -9.036 12.343 1.00 0.00 O ATOM 1459 CB LYS A 524 1.496 -10.116 15.356 1.00 0.00 C ATOM 1460 CG LYS A 524 1.054 -9.099 16.393 1.00 0.00 C ATOM 1461 CD LYS A 524 0.121 -9.719 17.420 1.00 0.00 C ATOM 1462 CE LYS A 524 -0.278 -8.714 18.490 1.00 0.00 C ATOM 1463 NZ LYS A 524 -0.566 -9.376 19.793 1.00 0.00 N ATOM 0 H LYS A 524 1.762 -11.662 13.234 1.00 0.00 H new ATOM 0 HA LYS A 524 -0.465 -10.165 14.474 1.00 0.00 H new ATOM 0 HB2 LYS A 524 1.548 -11.099 15.823 1.00 0.00 H new ATOM 0 HB3 LYS A 524 2.504 -9.868 15.022 1.00 0.00 H new ATOM 0 HG2 LYS A 524 1.929 -8.688 16.896 1.00 0.00 H new ATOM 0 HG3 LYS A 524 0.551 -8.268 15.898 1.00 0.00 H new ATOM 0 HD2 LYS A 524 -0.772 -10.095 16.921 1.00 0.00 H new ATOM 0 HD3 LYS A 524 0.609 -10.574 17.887 1.00 0.00 H new ATOM 0 HE2 LYS A 524 0.523 -7.986 18.622 1.00 0.00 H new ATOM 0 HE3 LYS A 524 -1.159 -8.163 18.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 524 -0.899 -8.667 20.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 524 -1.300 -10.100 19.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 524 0.300 -9.824 20.154 1.00 0.00 H new ATOM 1477 N VAL A 525 0.061 -7.921 13.450 1.00 0.00 N ATOM 1478 CA VAL A 525 0.198 -6.709 12.652 1.00 0.00 C ATOM 1479 C VAL A 525 0.685 -5.542 13.503 1.00 0.00 C ATOM 1480 O VAL A 525 0.303 -5.405 14.665 1.00 0.00 O ATOM 1481 CB VAL A 525 -1.136 -6.323 11.985 1.00 0.00 C ATOM 1482 CG1 VAL A 525 -0.950 -5.117 11.077 1.00 0.00 C ATOM 1483 CG2 VAL A 525 -1.705 -7.502 11.210 1.00 0.00 C ATOM 0 H VAL A 525 -0.653 -7.869 14.177 1.00 0.00 H new ATOM 0 HA VAL A 525 0.935 -6.922 11.878 1.00 0.00 H new ATOM 0 HB VAL A 525 -1.848 -6.053 12.765 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -1.903 -4.859 10.615 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -0.591 -4.272 11.664 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -0.223 -5.355 10.301 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -2.647 -7.211 10.745 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -0.998 -7.805 10.438 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -1.878 -8.335 11.891 1.00 0.00 H new ATOM 1493 N VAL A 526 1.532 -4.702 12.916 1.00 0.00 N ATOM 1494 CA VAL A 526 2.071 -3.544 13.620 1.00 0.00 C ATOM 1495 C VAL A 526 2.041 -2.301 12.737 1.00 0.00 C ATOM 1496 O VAL A 526 2.678 -2.259 11.685 1.00 0.00 O ATOM 1497 CB VAL A 526 3.517 -3.794 14.087 1.00 0.00 C ATOM 1498 CG1 VAL A 526 4.166 -2.494 14.536 1.00 0.00 C ATOM 1499 CG2 VAL A 526 3.545 -4.827 15.203 1.00 0.00 C ATOM 0 H VAL A 526 1.860 -4.802 11.955 1.00 0.00 H new ATOM 0 HA VAL A 526 1.438 -3.381 14.493 1.00 0.00 H new ATOM 0 HB VAL A 526 4.089 -4.186 13.246 1.00 0.00 H new ATOM 0 HG11 VAL A 526 5.187 -2.691 14.862 1.00 0.00 H new ATOM 0 HG12 VAL A 526 4.180 -1.789 13.705 1.00 0.00 H new ATOM 0 HG13 VAL A 526 3.596 -2.070 15.363 1.00 0.00 H new ATOM 0 HG21 VAL A 526 4.575 -4.991 15.521 1.00 0.00 H new ATOM 0 HG22 VAL A 526 2.958 -4.466 16.047 1.00 0.00 H new ATOM 0 HG23 VAL A 526 3.123 -5.765 14.842 1.00 0.00 H new ATOM 1509 N ALA A 527 1.297 -1.290 13.173 1.00 0.00 N ATOM 1510 CA ALA A 527 1.186 -0.045 12.424 1.00 0.00 C ATOM 1511 C ALA A 527 1.989 1.069 13.088 1.00 0.00 C ATOM 1512 O ALA A 527 2.013 1.182 14.313 1.00 0.00 O ATOM 1513 CB ALA A 527 -0.274 0.362 12.290 1.00 0.00 C ATOM 0 H ALA A 527 0.762 -1.309 14.041 1.00 0.00 H new ATOM 0 HA ALA A 527 1.598 -0.211 11.429 1.00 0.00 H new ATOM 0 HB1 ALA A 527 -0.342 1.294 11.728 1.00 0.00 H new ATOM 0 HB2 ALA A 527 -0.823 -0.419 11.764 1.00 0.00 H new ATOM 0 HB3 ALA A 527 -0.705 0.504 13.281 1.00 0.00 H new ATOM 1519 N GLU A 528 2.644 1.888 12.271 1.00 0.00 N ATOM 1520 CA GLU A 528 3.449 2.991 12.781 1.00 0.00 C ATOM 1521 C GLU A 528 3.384 4.191 11.841 1.00 0.00 C ATOM 1522 O GLU A 528 3.064 4.053 10.661 1.00 0.00 O ATOM 1523 CB GLU A 528 4.903 2.550 12.963 1.00 0.00 C ATOM 1524 CG GLU A 528 5.063 1.348 13.879 1.00 0.00 C ATOM 1525 CD GLU A 528 5.149 1.737 15.342 1.00 0.00 C ATOM 1526 OE1 GLU A 528 4.233 2.435 15.826 1.00 0.00 O ATOM 1527 OE2 GLU A 528 6.132 1.342 16.004 1.00 0.00 O ATOM 0 H GLU A 528 2.633 1.808 11.254 1.00 0.00 H new ATOM 0 HA GLU A 528 3.043 3.286 13.749 1.00 0.00 H new ATOM 0 HB2 GLU A 528 5.327 2.312 11.987 1.00 0.00 H new ATOM 0 HB3 GLU A 528 5.479 3.383 13.366 1.00 0.00 H new ATOM 0 HG2 GLU A 528 4.220 0.672 13.736 1.00 0.00 H new ATOM 0 HG3 GLU A 528 5.963 0.800 13.599 1.00 0.00 H new ATOM 1534 N VAL A 529 3.691 5.370 12.374 1.00 0.00 N ATOM 1535 CA VAL A 529 3.669 6.595 11.584 1.00 0.00 C ATOM 1536 C VAL A 529 4.984 6.791 10.837 1.00 0.00 C ATOM 1537 O VAL A 529 6.057 6.795 11.440 1.00 0.00 O ATOM 1538 CB VAL A 529 3.405 7.828 12.468 1.00 0.00 C ATOM 1539 CG1 VAL A 529 3.719 9.108 11.708 1.00 0.00 C ATOM 1540 CG2 VAL A 529 1.966 7.831 12.961 1.00 0.00 C ATOM 0 H VAL A 529 3.958 5.502 13.350 1.00 0.00 H new ATOM 0 HA VAL A 529 2.857 6.493 10.864 1.00 0.00 H new ATOM 0 HB VAL A 529 4.063 7.779 13.336 1.00 0.00 H new ATOM 0 HG11 VAL A 529 3.526 9.968 12.349 1.00 0.00 H new ATOM 0 HG12 VAL A 529 4.767 9.106 11.409 1.00 0.00 H new ATOM 0 HG13 VAL A 529 3.089 9.168 10.821 1.00 0.00 H new ATOM 0 HG21 VAL A 529 1.797 8.709 13.584 1.00 0.00 H new ATOM 0 HG22 VAL A 529 1.289 7.856 12.107 1.00 0.00 H new ATOM 0 HG23 VAL A 529 1.780 6.930 13.545 1.00 0.00 H new ATOM 1550 N TYR A 530 4.892 6.955 9.522 1.00 0.00 N ATOM 1551 CA TYR A 530 6.074 7.151 8.692 1.00 0.00 C ATOM 1552 C TYR A 530 6.292 8.631 8.394 1.00 0.00 C ATOM 1553 O TYR A 530 5.357 9.348 8.037 1.00 0.00 O ATOM 1554 CB TYR A 530 5.938 6.370 7.383 1.00 0.00 C ATOM 1555 CG TYR A 530 7.244 6.202 6.640 1.00 0.00 C ATOM 1556 CD1 TYR A 530 8.181 5.259 7.047 1.00 0.00 C ATOM 1557 CD2 TYR A 530 7.541 6.984 5.531 1.00 0.00 C ATOM 1558 CE1 TYR A 530 9.376 5.102 6.372 1.00 0.00 C ATOM 1559 CE2 TYR A 530 8.733 6.833 4.849 1.00 0.00 C ATOM 1560 CZ TYR A 530 9.647 5.892 5.273 1.00 0.00 C ATOM 1561 OH TYR A 530 10.836 5.737 4.597 1.00 0.00 O ATOM 0 H TYR A 530 4.011 6.956 9.008 1.00 0.00 H new ATOM 0 HA TYR A 530 6.939 6.779 9.242 1.00 0.00 H new ATOM 0 HB2 TYR A 530 5.523 5.385 7.599 1.00 0.00 H new ATOM 0 HB3 TYR A 530 5.225 6.882 6.737 1.00 0.00 H new ATOM 0 HD1 TYR A 530 7.971 4.639 7.906 1.00 0.00 H new ATOM 0 HD2 TYR A 530 6.828 7.723 5.196 1.00 0.00 H new ATOM 0 HE1 TYR A 530 10.094 4.366 6.702 1.00 0.00 H new ATOM 0 HE2 TYR A 530 8.948 7.449 3.988 1.00 0.00 H new ATOM 0 HH TYR A 530 10.871 6.368 3.848 1.00 0.00 H new