USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 640 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 445 THR OG1 : rot -1:sc= 0.525 USER MOD Set 1.2: A 508 THR OG1 : rot -12:sc= 0.471 USER MOD Set 2.1: A 477 ASN : amide:sc= -7.49! C(o=-6.3!,f=-16!) USER MOD Set 2.2: A 503 SER OG : rot 47:sc= 1.14 USER MOD Single : A 444 SER OG : rot -172:sc= 1.01 USER MOD Single : A 447 MET CE :methyl 143:sc= -3.38! (180deg=-4.24!) USER MOD Single : A 451 ASN : amide:sc= -0.0992 K(o=-0.099,f=-0.76) USER MOD Single : A 452 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 456 LYS NZ :NH3+ -164:sc=-0.00779 (180deg=-0.113) USER MOD Single : A 467 THR OG1 : rot 70:sc= 0.905 USER MOD Single : A 470 CYS SG : rot 79:sc= 0.205 USER MOD Single : A 472 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 TYR OH : rot 180:sc= 0 USER MOD Single : A 483 GLN :FLIP amide:sc= -0.065 F(o=-0.6,f=-0.065) USER MOD Single : A 485 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 497 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 506 SER OG : rot 180:sc= 0 USER MOD Single : A 509 HIS : no HD1:sc= -0.197 X(o=-0.2,f=0.04) USER MOD Single : A 510 LYS NZ :NH3+ -157:sc= -0.463 (180deg=-0.881) USER MOD Single : A 513 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 516 ASN : amide:sc= -1.18 K(o=-1.2,f=-3.8!) USER MOD Single : A 524 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 530 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 204 N SER A 444 1.187 13.446 10.122 1.00 0.00 N ATOM 205 CA SER A 444 1.582 12.505 9.081 1.00 0.00 C ATOM 206 C SER A 444 0.407 11.621 8.674 1.00 0.00 C ATOM 207 O SER A 444 -0.306 11.085 9.523 1.00 0.00 O ATOM 208 CB SER A 444 2.746 11.637 9.563 1.00 0.00 C ATOM 209 OG SER A 444 3.450 11.075 8.469 1.00 0.00 O ATOM 0 HA SER A 444 1.902 13.077 8.210 1.00 0.00 H new ATOM 0 HB2 SER A 444 3.426 12.238 10.167 1.00 0.00 H new ATOM 0 HB3 SER A 444 2.369 10.841 10.204 1.00 0.00 H new ATOM 0 HG SER A 444 4.109 10.430 8.801 1.00 0.00 H new ATOM 215 N THR A 445 0.211 11.471 7.368 1.00 0.00 N ATOM 216 CA THR A 445 -0.877 10.654 6.847 1.00 0.00 C ATOM 217 C THR A 445 -0.343 9.404 6.156 1.00 0.00 C ATOM 218 O THR A 445 -1.070 8.725 5.430 1.00 0.00 O ATOM 219 CB THR A 445 -1.747 11.444 5.852 1.00 0.00 C ATOM 220 OG1 THR A 445 -2.719 10.578 5.255 1.00 0.00 O ATOM 221 CG2 THR A 445 -0.889 12.076 4.766 1.00 0.00 C ATOM 0 H THR A 445 0.792 11.905 6.651 1.00 0.00 H new ATOM 0 HA THR A 445 -1.489 10.362 7.700 1.00 0.00 H new ATOM 0 HB THR A 445 -2.256 12.238 6.399 1.00 0.00 H new ATOM 0 HG1 THR A 445 -2.599 9.667 5.596 1.00 0.00 H new ATOM 0 HG21 THR A 445 -1.526 12.629 4.075 1.00 0.00 H new ATOM 0 HG22 THR A 445 -0.170 12.757 5.221 1.00 0.00 H new ATOM 0 HG23 THR A 445 -0.356 11.295 4.223 1.00 0.00 H new ATOM 229 N VAL A 446 0.931 9.105 6.386 1.00 0.00 N ATOM 230 CA VAL A 446 1.562 7.935 5.786 1.00 0.00 C ATOM 231 C VAL A 446 1.773 6.834 6.820 1.00 0.00 C ATOM 232 O VAL A 446 2.676 6.915 7.652 1.00 0.00 O ATOM 233 CB VAL A 446 2.918 8.292 5.150 1.00 0.00 C ATOM 234 CG1 VAL A 446 3.593 7.047 4.595 1.00 0.00 C ATOM 235 CG2 VAL A 446 2.735 9.339 4.061 1.00 0.00 C ATOM 0 H VAL A 446 1.547 9.657 6.983 1.00 0.00 H new ATOM 0 HA VAL A 446 0.888 7.576 5.008 1.00 0.00 H new ATOM 0 HB VAL A 446 3.563 8.711 5.922 1.00 0.00 H new ATOM 0 HG11 VAL A 446 4.550 7.320 4.150 1.00 0.00 H new ATOM 0 HG12 VAL A 446 3.759 6.333 5.402 1.00 0.00 H new ATOM 0 HG13 VAL A 446 2.955 6.595 3.835 1.00 0.00 H new ATOM 0 HG21 VAL A 446 3.703 9.580 3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 446 2.073 8.948 3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 446 2.298 10.240 4.492 1.00 0.00 H new ATOM 245 N MET A 447 0.934 5.805 6.761 1.00 0.00 N ATOM 246 CA MET A 447 1.030 4.687 7.691 1.00 0.00 C ATOM 247 C MET A 447 1.889 3.568 7.110 1.00 0.00 C ATOM 248 O MET A 447 2.093 3.494 5.899 1.00 0.00 O ATOM 249 CB MET A 447 -0.364 4.153 8.026 1.00 0.00 C ATOM 250 CG MET A 447 -0.349 2.780 8.678 1.00 0.00 C ATOM 251 SD MET A 447 -1.998 2.209 9.133 1.00 0.00 S ATOM 252 CE MET A 447 -2.623 1.677 7.541 1.00 0.00 C ATOM 0 H MET A 447 0.180 5.723 6.079 1.00 0.00 H new ATOM 0 HA MET A 447 1.503 5.047 8.605 1.00 0.00 H new ATOM 0 HB2 MET A 447 -0.863 4.857 8.692 1.00 0.00 H new ATOM 0 HB3 MET A 447 -0.955 4.105 7.111 1.00 0.00 H new ATOM 0 HG2 MET A 447 0.104 2.062 7.994 1.00 0.00 H new ATOM 0 HG3 MET A 447 0.279 2.812 9.568 1.00 0.00 H new ATOM 0 HE1 MET A 447 -3.235 0.784 7.670 1.00 0.00 H new ATOM 0 HE2 MET A 447 -3.228 2.471 7.104 1.00 0.00 H new ATOM 0 HE3 MET A 447 -1.787 1.452 6.879 1.00 0.00 H new ATOM 262 N VAL A 448 2.391 2.700 7.982 1.00 0.00 N ATOM 263 CA VAL A 448 3.227 1.584 7.555 1.00 0.00 C ATOM 264 C VAL A 448 2.797 0.286 8.228 1.00 0.00 C ATOM 265 O VAL A 448 2.735 0.200 9.455 1.00 0.00 O ATOM 266 CB VAL A 448 4.713 1.845 7.869 1.00 0.00 C ATOM 267 CG1 VAL A 448 4.879 2.325 9.303 1.00 0.00 C ATOM 268 CG2 VAL A 448 5.537 0.591 7.619 1.00 0.00 C ATOM 0 H VAL A 448 2.233 2.748 8.989 1.00 0.00 H new ATOM 0 HA VAL A 448 3.102 1.489 6.476 1.00 0.00 H new ATOM 0 HB VAL A 448 5.076 2.629 7.205 1.00 0.00 H new ATOM 0 HG11 VAL A 448 5.935 2.504 9.507 1.00 0.00 H new ATOM 0 HG12 VAL A 448 4.320 3.250 9.444 1.00 0.00 H new ATOM 0 HG13 VAL A 448 4.501 1.565 9.987 1.00 0.00 H new ATOM 0 HG21 VAL A 448 6.584 0.792 7.846 1.00 0.00 H new ATOM 0 HG22 VAL A 448 5.176 -0.215 8.258 1.00 0.00 H new ATOM 0 HG23 VAL A 448 5.442 0.296 6.574 1.00 0.00 H new ATOM 278 N LEU A 449 2.501 -0.724 7.417 1.00 0.00 N ATOM 279 CA LEU A 449 2.076 -2.021 7.933 1.00 0.00 C ATOM 280 C LEU A 449 3.234 -3.014 7.927 1.00 0.00 C ATOM 281 O LEU A 449 3.906 -3.193 6.912 1.00 0.00 O ATOM 282 CB LEU A 449 0.915 -2.568 7.101 1.00 0.00 C ATOM 283 CG LEU A 449 -0.253 -1.609 6.867 1.00 0.00 C ATOM 284 CD1 LEU A 449 -1.368 -2.303 6.101 1.00 0.00 C ATOM 285 CD2 LEU A 449 -0.771 -1.067 8.191 1.00 0.00 C ATOM 0 H LEU A 449 2.547 -0.670 6.399 1.00 0.00 H new ATOM 0 HA LEU A 449 1.744 -1.884 8.962 1.00 0.00 H new ATOM 0 HB2 LEU A 449 1.304 -2.879 6.131 1.00 0.00 H new ATOM 0 HB3 LEU A 449 0.532 -3.462 7.592 1.00 0.00 H new ATOM 0 HG LEU A 449 0.104 -0.771 6.269 1.00 0.00 H new ATOM 0 HD11 LEU A 449 -2.190 -1.605 5.944 1.00 0.00 H new ATOM 0 HD12 LEU A 449 -0.990 -2.642 5.136 1.00 0.00 H new ATOM 0 HD13 LEU A 449 -1.724 -3.160 6.673 1.00 0.00 H new ATOM 0 HD21 LEU A 449 -1.602 -0.386 8.005 1.00 0.00 H new ATOM 0 HD22 LEU A 449 -1.112 -1.894 8.814 1.00 0.00 H new ATOM 0 HD23 LEU A 449 0.029 -0.532 8.703 1.00 0.00 H new ATOM 297 N ARG A 450 3.458 -3.661 9.067 1.00 0.00 N ATOM 298 CA ARG A 450 4.533 -4.637 9.192 1.00 0.00 C ATOM 299 C ARG A 450 4.000 -5.969 9.714 1.00 0.00 C ATOM 300 O ARG A 450 2.882 -6.044 10.223 1.00 0.00 O ATOM 301 CB ARG A 450 5.623 -4.111 10.128 1.00 0.00 C ATOM 302 CG ARG A 450 6.174 -2.755 9.718 1.00 0.00 C ATOM 303 CD ARG A 450 7.212 -2.253 10.709 1.00 0.00 C ATOM 304 NE ARG A 450 8.529 -2.834 10.464 1.00 0.00 N ATOM 305 CZ ARG A 450 9.651 -2.366 11.000 1.00 0.00 C ATOM 306 NH1 ARG A 450 9.615 -1.316 11.809 1.00 0.00 N ATOM 307 NH2 ARG A 450 10.811 -2.950 10.729 1.00 0.00 N ATOM 0 H ARG A 450 2.909 -3.526 9.916 1.00 0.00 H new ATOM 0 HA ARG A 450 4.960 -4.798 8.202 1.00 0.00 H new ATOM 0 HB2 ARG A 450 5.220 -4.040 11.138 1.00 0.00 H new ATOM 0 HB3 ARG A 450 6.440 -4.831 10.161 1.00 0.00 H new ATOM 0 HG2 ARG A 450 6.621 -2.827 8.727 1.00 0.00 H new ATOM 0 HG3 ARG A 450 5.358 -2.036 9.648 1.00 0.00 H new ATOM 0 HD2 ARG A 450 7.278 -1.167 10.646 1.00 0.00 H new ATOM 0 HD3 ARG A 450 6.892 -2.495 11.723 1.00 0.00 H new ATOM 0 HE ARG A 450 8.591 -3.644 9.847 1.00 0.00 H new ATOM 0 HH11 ARG A 450 8.725 -0.866 12.021 1.00 0.00 H new ATOM 0 HH12 ARG A 450 10.478 -0.959 12.219 1.00 0.00 H new ATOM 0 HH21 ARG A 450 10.842 -3.759 10.109 1.00 0.00 H new ATOM 0 HH22 ARG A 450 11.672 -2.590 11.141 1.00 0.00 H new ATOM 321 N ASN A 451 4.807 -7.016 9.582 1.00 0.00 N ATOM 322 CA ASN A 451 4.416 -8.345 10.038 1.00 0.00 C ATOM 323 C ASN A 451 3.009 -8.692 9.562 1.00 0.00 C ATOM 324 O ASN A 451 2.181 -9.171 10.336 1.00 0.00 O ATOM 325 CB ASN A 451 4.483 -8.422 11.565 1.00 0.00 C ATOM 326 CG ASN A 451 4.809 -9.818 12.059 1.00 0.00 C ATOM 327 OD1 ASN A 451 5.653 -10.509 11.489 1.00 0.00 O ATOM 328 ND2 ASN A 451 4.139 -10.240 13.126 1.00 0.00 N ATOM 0 H ASN A 451 5.736 -6.970 9.163 1.00 0.00 H new ATOM 0 HA ASN A 451 5.112 -9.068 9.612 1.00 0.00 H new ATOM 0 HB2 ASN A 451 5.238 -7.725 11.929 1.00 0.00 H new ATOM 0 HB3 ASN A 451 3.528 -8.105 11.984 1.00 0.00 H new ATOM 0 HD21 ASN A 451 4.316 -11.171 13.504 1.00 0.00 H new ATOM 0 HD22 ASN A 451 3.448 -9.633 13.567 1.00 0.00 H new ATOM 335 N MET A 452 2.747 -8.447 8.282 1.00 0.00 N ATOM 336 CA MET A 452 1.440 -8.735 7.701 1.00 0.00 C ATOM 337 C MET A 452 1.481 -10.021 6.882 1.00 0.00 C ATOM 338 O MET A 452 0.814 -11.001 7.214 1.00 0.00 O ATOM 339 CB MET A 452 0.981 -7.571 6.821 1.00 0.00 C ATOM 340 CG MET A 452 -0.447 -7.713 6.322 1.00 0.00 C ATOM 341 SD MET A 452 -1.140 -6.151 5.744 1.00 0.00 S ATOM 342 CE MET A 452 -2.728 -6.695 5.121 1.00 0.00 C ATOM 0 H MET A 452 3.421 -8.050 7.628 1.00 0.00 H new ATOM 0 HA MET A 452 0.729 -8.867 8.517 1.00 0.00 H new ATOM 0 HB2 MET A 452 1.069 -6.643 7.385 1.00 0.00 H new ATOM 0 HB3 MET A 452 1.650 -7.488 5.964 1.00 0.00 H new ATOM 0 HG2 MET A 452 -0.473 -8.440 5.510 1.00 0.00 H new ATOM 0 HG3 MET A 452 -1.070 -8.108 7.124 1.00 0.00 H new ATOM 0 HE1 MET A 452 -3.277 -5.839 4.728 1.00 0.00 H new ATOM 0 HE2 MET A 452 -2.576 -7.425 4.326 1.00 0.00 H new ATOM 0 HE3 MET A 452 -3.299 -7.152 5.929 1.00 0.00 H new ATOM 352 N VAL A 453 2.268 -10.010 5.811 1.00 0.00 N ATOM 353 CA VAL A 453 2.396 -11.176 4.945 1.00 0.00 C ATOM 354 C VAL A 453 3.820 -11.314 4.416 1.00 0.00 C ATOM 355 O VAL A 453 4.493 -10.318 4.150 1.00 0.00 O ATOM 356 CB VAL A 453 1.423 -11.101 3.754 1.00 0.00 C ATOM 357 CG1 VAL A 453 0.017 -11.489 4.188 1.00 0.00 C ATOM 358 CG2 VAL A 453 1.436 -9.708 3.143 1.00 0.00 C ATOM 0 H VAL A 453 2.826 -9.207 5.522 1.00 0.00 H new ATOM 0 HA VAL A 453 2.150 -12.048 5.551 1.00 0.00 H new ATOM 0 HB VAL A 453 1.751 -11.810 2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -0.657 -11.430 3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 453 0.024 -12.508 4.575 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -0.325 -10.807 4.967 1.00 0.00 H new ATOM 0 HG21 VAL A 453 0.743 -9.673 2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 453 1.133 -8.978 3.894 1.00 0.00 H new ATOM 0 HG23 VAL A 453 2.442 -9.473 2.794 1.00 0.00 H new ATOM 368 N ASP A 454 4.271 -12.554 4.266 1.00 0.00 N ATOM 369 CA ASP A 454 5.615 -12.823 3.766 1.00 0.00 C ATOM 370 C ASP A 454 5.805 -12.234 2.372 1.00 0.00 C ATOM 371 O ASP A 454 4.854 -12.066 1.608 1.00 0.00 O ATOM 372 CB ASP A 454 5.879 -14.330 3.737 1.00 0.00 C ATOM 373 CG ASP A 454 4.942 -15.064 2.799 1.00 0.00 C ATOM 374 OD1 ASP A 454 4.378 -14.413 1.894 1.00 0.00 O ATOM 375 OD2 ASP A 454 4.772 -16.289 2.969 1.00 0.00 O ATOM 0 H ASP A 454 3.727 -13.389 4.483 1.00 0.00 H new ATOM 0 HA ASP A 454 6.328 -12.349 4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 454 6.909 -14.509 3.430 1.00 0.00 H new ATOM 0 HB3 ASP A 454 5.771 -14.734 4.743 1.00 0.00 H new ATOM 380 N PRO A 455 7.061 -11.911 2.032 1.00 0.00 N ATOM 381 CA PRO A 455 7.405 -11.334 0.729 1.00 0.00 C ATOM 382 C PRO A 455 7.252 -12.339 -0.408 1.00 0.00 C ATOM 383 O PRO A 455 7.412 -11.996 -1.580 1.00 0.00 O ATOM 384 CB PRO A 455 8.873 -10.934 0.894 1.00 0.00 C ATOM 385 CG PRO A 455 9.395 -11.837 1.958 1.00 0.00 C ATOM 386 CD PRO A 455 8.243 -12.083 2.893 1.00 0.00 C ATOM 0 HA PRO A 455 6.750 -10.504 0.465 1.00 0.00 H new ATOM 0 HB2 PRO A 455 9.425 -11.060 -0.038 1.00 0.00 H new ATOM 0 HB3 PRO A 455 8.968 -9.887 1.182 1.00 0.00 H new ATOM 0 HG2 PRO A 455 9.759 -12.772 1.532 1.00 0.00 H new ATOM 0 HG3 PRO A 455 10.233 -11.378 2.483 1.00 0.00 H new ATOM 0 HD2 PRO A 455 8.283 -13.083 3.325 1.00 0.00 H new ATOM 0 HD3 PRO A 455 8.241 -11.377 3.723 1.00 0.00 H new ATOM 394 N LYS A 456 6.940 -13.582 -0.055 1.00 0.00 N ATOM 395 CA LYS A 456 6.763 -14.637 -1.045 1.00 0.00 C ATOM 396 C LYS A 456 5.311 -14.712 -1.507 1.00 0.00 C ATOM 397 O LYS A 456 5.007 -15.318 -2.535 1.00 0.00 O ATOM 398 CB LYS A 456 7.196 -15.986 -0.466 1.00 0.00 C ATOM 399 CG LYS A 456 6.049 -16.795 0.114 1.00 0.00 C ATOM 400 CD LYS A 456 6.535 -18.111 0.699 1.00 0.00 C ATOM 401 CE LYS A 456 6.521 -19.221 -0.340 1.00 0.00 C ATOM 402 NZ LYS A 456 5.138 -19.678 -0.646 1.00 0.00 N ATOM 0 H LYS A 456 6.805 -13.883 0.910 1.00 0.00 H new ATOM 0 HA LYS A 456 7.388 -14.401 -1.906 1.00 0.00 H new ATOM 0 HB2 LYS A 456 7.681 -16.569 -1.249 1.00 0.00 H new ATOM 0 HB3 LYS A 456 7.940 -15.816 0.312 1.00 0.00 H new ATOM 0 HG2 LYS A 456 5.548 -16.214 0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 456 5.311 -16.992 -0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 456 7.546 -17.987 1.087 1.00 0.00 H new ATOM 0 HD3 LYS A 456 5.903 -18.392 1.541 1.00 0.00 H new ATOM 0 HE2 LYS A 456 6.997 -18.868 -1.255 1.00 0.00 H new ATOM 0 HE3 LYS A 456 7.110 -20.064 0.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 5.176 -20.594 -1.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 4.603 -19.781 0.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 4.668 -18.978 -1.255 1.00 0.00 H new ATOM 416 N ASP A 457 4.419 -14.094 -0.741 1.00 0.00 N ATOM 417 CA ASP A 457 2.999 -14.089 -1.073 1.00 0.00 C ATOM 418 C ASP A 457 2.621 -12.814 -1.822 1.00 0.00 C ATOM 419 O ASP A 457 1.441 -12.542 -2.046 1.00 0.00 O ATOM 420 CB ASP A 457 2.157 -14.218 0.197 1.00 0.00 C ATOM 421 CG ASP A 457 0.707 -14.547 -0.101 1.00 0.00 C ATOM 422 OD1 ASP A 457 0.462 -15.480 -0.894 1.00 0.00 O ATOM 423 OD2 ASP A 457 -0.182 -13.871 0.457 1.00 0.00 O ATOM 0 H ASP A 457 4.654 -13.590 0.114 1.00 0.00 H new ATOM 0 HA ASP A 457 2.799 -14.942 -1.721 1.00 0.00 H new ATOM 0 HB2 ASP A 457 2.580 -14.996 0.832 1.00 0.00 H new ATOM 0 HB3 ASP A 457 2.207 -13.285 0.759 1.00 0.00 H new ATOM 428 N ILE A 458 3.629 -12.038 -2.204 1.00 0.00 N ATOM 429 CA ILE A 458 3.401 -10.793 -2.927 1.00 0.00 C ATOM 430 C ILE A 458 2.825 -11.060 -4.314 1.00 0.00 C ATOM 431 O ILE A 458 3.528 -11.529 -5.209 1.00 0.00 O ATOM 432 CB ILE A 458 4.701 -9.980 -3.071 1.00 0.00 C ATOM 433 CG1 ILE A 458 5.357 -9.779 -1.704 1.00 0.00 C ATOM 434 CG2 ILE A 458 4.416 -8.638 -3.731 1.00 0.00 C ATOM 435 CD1 ILE A 458 4.643 -8.768 -0.834 1.00 0.00 C ATOM 0 H ILE A 458 4.611 -12.249 -2.025 1.00 0.00 H new ATOM 0 HA ILE A 458 2.684 -10.216 -2.343 1.00 0.00 H new ATOM 0 HB ILE A 458 5.391 -10.536 -3.706 1.00 0.00 H new ATOM 0 HG12 ILE A 458 5.391 -10.735 -1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 458 6.388 -9.458 -1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 458 5.344 -8.075 -3.826 1.00 0.00 H new ATOM 0 HG22 ILE A 458 3.989 -8.802 -4.720 1.00 0.00 H new ATOM 0 HG23 ILE A 458 3.711 -8.075 -3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 458 5.163 -8.677 0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 458 4.632 -7.800 -1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 458 3.619 -9.098 -0.659 1.00 0.00 H new ATOM 447 N ASP A 459 1.543 -10.756 -4.484 1.00 0.00 N ATOM 448 CA ASP A 459 0.873 -10.960 -5.763 1.00 0.00 C ATOM 449 C ASP A 459 0.069 -9.725 -6.159 1.00 0.00 C ATOM 450 O ASP A 459 -0.168 -8.838 -5.339 1.00 0.00 O ATOM 451 CB ASP A 459 -0.047 -12.181 -5.692 1.00 0.00 C ATOM 452 CG ASP A 459 0.725 -13.483 -5.619 1.00 0.00 C ATOM 453 OD1 ASP A 459 1.561 -13.627 -4.702 1.00 0.00 O ATOM 454 OD2 ASP A 459 0.494 -14.359 -6.479 1.00 0.00 O ATOM 0 H ASP A 459 0.947 -10.368 -3.753 1.00 0.00 H new ATOM 0 HA ASP A 459 1.637 -11.133 -6.521 1.00 0.00 H new ATOM 0 HB2 ASP A 459 -0.693 -12.095 -4.818 1.00 0.00 H new ATOM 0 HB3 ASP A 459 -0.696 -12.195 -6.568 1.00 0.00 H new ATOM 459 N ASP A 460 -0.345 -9.675 -7.420 1.00 0.00 N ATOM 460 CA ASP A 460 -1.122 -8.548 -7.925 1.00 0.00 C ATOM 461 C ASP A 460 -2.429 -8.400 -7.153 1.00 0.00 C ATOM 462 O ASP A 460 -2.954 -7.296 -7.008 1.00 0.00 O ATOM 463 CB ASP A 460 -1.413 -8.730 -9.416 1.00 0.00 C ATOM 464 CG ASP A 460 -2.288 -9.936 -9.692 1.00 0.00 C ATOM 465 OD1 ASP A 460 -1.760 -11.068 -9.681 1.00 0.00 O ATOM 466 OD2 ASP A 460 -3.502 -9.749 -9.918 1.00 0.00 O ATOM 0 H ASP A 460 -0.156 -10.401 -8.111 1.00 0.00 H new ATOM 0 HA ASP A 460 -0.534 -7.641 -7.785 1.00 0.00 H new ATOM 0 HB2 ASP A 460 -1.902 -7.835 -9.800 1.00 0.00 H new ATOM 0 HB3 ASP A 460 -0.472 -8.836 -9.956 1.00 0.00 H new ATOM 471 N ASP A 461 -2.949 -9.518 -6.660 1.00 0.00 N ATOM 472 CA ASP A 461 -4.195 -9.513 -5.903 1.00 0.00 C ATOM 473 C ASP A 461 -4.000 -8.855 -4.540 1.00 0.00 C ATOM 474 O ASP A 461 -4.838 -8.072 -4.091 1.00 0.00 O ATOM 475 CB ASP A 461 -4.714 -10.941 -5.724 1.00 0.00 C ATOM 476 CG ASP A 461 -5.633 -11.368 -6.851 1.00 0.00 C ATOM 477 OD1 ASP A 461 -6.381 -10.510 -7.365 1.00 0.00 O ATOM 478 OD2 ASP A 461 -5.604 -12.561 -7.220 1.00 0.00 O ATOM 0 H ASP A 461 -2.527 -10.440 -6.771 1.00 0.00 H new ATOM 0 HA ASP A 461 -4.930 -8.935 -6.464 1.00 0.00 H new ATOM 0 HB2 ASP A 461 -3.869 -11.627 -5.668 1.00 0.00 H new ATOM 0 HB3 ASP A 461 -5.247 -11.015 -4.776 1.00 0.00 H new ATOM 483 N LEU A 462 -2.890 -9.179 -3.886 1.00 0.00 N ATOM 484 CA LEU A 462 -2.585 -8.620 -2.574 1.00 0.00 C ATOM 485 C LEU A 462 -2.812 -7.111 -2.558 1.00 0.00 C ATOM 486 O LEU A 462 -3.667 -6.611 -1.828 1.00 0.00 O ATOM 487 CB LEU A 462 -1.138 -8.933 -2.188 1.00 0.00 C ATOM 488 CG LEU A 462 -0.712 -8.514 -0.780 1.00 0.00 C ATOM 489 CD1 LEU A 462 -1.513 -9.272 0.267 1.00 0.00 C ATOM 490 CD2 LEU A 462 0.779 -8.743 -0.583 1.00 0.00 C ATOM 0 H LEU A 462 -2.187 -9.826 -4.243 1.00 0.00 H new ATOM 0 HA LEU A 462 -3.256 -9.078 -1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 462 -0.981 -10.007 -2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 462 -0.478 -8.445 -2.906 1.00 0.00 H new ATOM 0 HG LEU A 462 -0.914 -7.449 -0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 462 -1.196 -8.961 1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 462 -2.574 -9.057 0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 462 -1.344 -10.342 0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 462 1.064 -8.439 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 462 1.006 -9.800 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 462 1.337 -8.154 -1.311 1.00 0.00 H new ATOM 502 N GLU A 463 -2.042 -6.393 -3.369 1.00 0.00 N ATOM 503 CA GLU A 463 -2.161 -4.942 -3.449 1.00 0.00 C ATOM 504 C GLU A 463 -3.616 -4.507 -3.296 1.00 0.00 C ATOM 505 O GLU A 463 -3.927 -3.604 -2.520 1.00 0.00 O ATOM 506 CB GLU A 463 -1.602 -4.434 -4.780 1.00 0.00 C ATOM 507 CG GLU A 463 -1.401 -2.929 -4.820 1.00 0.00 C ATOM 508 CD GLU A 463 -1.546 -2.359 -6.218 1.00 0.00 C ATOM 509 OE1 GLU A 463 -0.543 -2.353 -6.962 1.00 0.00 O ATOM 510 OE2 GLU A 463 -2.661 -1.918 -6.567 1.00 0.00 O ATOM 0 H GLU A 463 -1.329 -6.792 -3.980 1.00 0.00 H new ATOM 0 HA GLU A 463 -1.582 -4.510 -2.633 1.00 0.00 H new ATOM 0 HB2 GLU A 463 -0.649 -4.925 -4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 463 -2.280 -4.723 -5.583 1.00 0.00 H new ATOM 0 HG2 GLU A 463 -2.125 -2.452 -4.160 1.00 0.00 H new ATOM 0 HG3 GLU A 463 -0.411 -2.688 -4.434 1.00 0.00 H new ATOM 517 N GLY A 464 -4.504 -5.156 -4.043 1.00 0.00 N ATOM 518 CA GLY A 464 -5.914 -4.822 -3.978 1.00 0.00 C ATOM 519 C GLY A 464 -6.511 -5.095 -2.611 1.00 0.00 C ATOM 520 O GLY A 464 -7.237 -4.263 -2.068 1.00 0.00 O ATOM 0 H GLY A 464 -4.271 -5.908 -4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 464 -6.047 -3.769 -4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 464 -6.456 -5.397 -4.729 1.00 0.00 H new ATOM 524 N GLU A 465 -6.206 -6.263 -2.056 1.00 0.00 N ATOM 525 CA GLU A 465 -6.721 -6.643 -0.746 1.00 0.00 C ATOM 526 C GLU A 465 -6.413 -5.568 0.292 1.00 0.00 C ATOM 527 O GLU A 465 -7.280 -5.175 1.072 1.00 0.00 O ATOM 528 CB GLU A 465 -6.121 -7.980 -0.306 1.00 0.00 C ATOM 529 CG GLU A 465 -6.610 -9.165 -1.122 1.00 0.00 C ATOM 530 CD GLU A 465 -6.455 -10.483 -0.388 1.00 0.00 C ATOM 531 OE1 GLU A 465 -6.430 -10.466 0.860 1.00 0.00 O ATOM 532 OE2 GLU A 465 -6.359 -11.530 -1.062 1.00 0.00 O ATOM 0 H GLU A 465 -5.605 -6.962 -2.493 1.00 0.00 H new ATOM 0 HA GLU A 465 -7.803 -6.747 -0.825 1.00 0.00 H new ATOM 0 HB2 GLU A 465 -5.035 -7.923 -0.379 1.00 0.00 H new ATOM 0 HB3 GLU A 465 -6.361 -8.149 0.744 1.00 0.00 H new ATOM 0 HG2 GLU A 465 -7.659 -9.017 -1.378 1.00 0.00 H new ATOM 0 HG3 GLU A 465 -6.056 -9.209 -2.060 1.00 0.00 H new ATOM 539 N VAL A 466 -5.169 -5.098 0.297 1.00 0.00 N ATOM 540 CA VAL A 466 -4.745 -4.069 1.238 1.00 0.00 C ATOM 541 C VAL A 466 -5.498 -2.764 1.003 1.00 0.00 C ATOM 542 O VAL A 466 -5.905 -2.089 1.949 1.00 0.00 O ATOM 543 CB VAL A 466 -3.232 -3.801 1.133 1.00 0.00 C ATOM 544 CG1 VAL A 466 -2.826 -2.657 2.050 1.00 0.00 C ATOM 545 CG2 VAL A 466 -2.444 -5.061 1.458 1.00 0.00 C ATOM 0 H VAL A 466 -4.438 -5.414 -0.340 1.00 0.00 H new ATOM 0 HA VAL A 466 -4.972 -4.442 2.237 1.00 0.00 H new ATOM 0 HB VAL A 466 -3.003 -3.511 0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -1.754 -2.483 1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -3.365 -1.753 1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -3.068 -2.914 3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -1.377 -4.853 1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -2.677 -5.384 2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -2.713 -5.850 0.756 1.00 0.00 H new ATOM 555 N THR A 467 -5.682 -2.414 -0.266 1.00 0.00 N ATOM 556 CA THR A 467 -6.387 -1.190 -0.627 1.00 0.00 C ATOM 557 C THR A 467 -7.809 -1.193 -0.079 1.00 0.00 C ATOM 558 O THR A 467 -8.274 -0.194 0.468 1.00 0.00 O ATOM 559 CB THR A 467 -6.437 -1.001 -2.155 1.00 0.00 C ATOM 560 OG1 THR A 467 -5.111 -1.009 -2.694 1.00 0.00 O ATOM 561 CG2 THR A 467 -7.128 0.306 -2.516 1.00 0.00 C ATOM 0 H THR A 467 -5.352 -2.961 -1.061 1.00 0.00 H new ATOM 0 HA THR A 467 -5.832 -0.363 -0.184 1.00 0.00 H new ATOM 0 HB THR A 467 -7.007 -1.826 -2.582 1.00 0.00 H new ATOM 0 HG1 THR A 467 -4.739 -1.913 -2.633 1.00 0.00 H new ATOM 0 HG21 THR A 467 -7.151 0.418 -3.600 1.00 0.00 H new ATOM 0 HG22 THR A 467 -8.147 0.297 -2.130 1.00 0.00 H new ATOM 0 HG23 THR A 467 -6.581 1.140 -2.077 1.00 0.00 H new ATOM 569 N GLU A 468 -8.495 -2.322 -0.230 1.00 0.00 N ATOM 570 CA GLU A 468 -9.865 -2.452 0.250 1.00 0.00 C ATOM 571 C GLU A 468 -9.923 -2.327 1.770 1.00 0.00 C ATOM 572 O GLU A 468 -10.572 -1.428 2.304 1.00 0.00 O ATOM 573 CB GLU A 468 -10.456 -3.795 -0.184 1.00 0.00 C ATOM 574 CG GLU A 468 -10.820 -3.852 -1.658 1.00 0.00 C ATOM 575 CD GLU A 468 -12.181 -3.248 -1.946 1.00 0.00 C ATOM 576 OE1 GLU A 468 -13.062 -3.322 -1.064 1.00 0.00 O ATOM 577 OE2 GLU A 468 -12.365 -2.702 -3.054 1.00 0.00 O ATOM 0 H GLU A 468 -8.124 -3.159 -0.681 1.00 0.00 H new ATOM 0 HA GLU A 468 -10.454 -1.645 -0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 468 -9.739 -4.586 0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 468 -11.347 -3.999 0.410 1.00 0.00 H new ATOM 0 HG2 GLU A 468 -10.062 -3.323 -2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 468 -10.809 -4.890 -1.991 1.00 0.00 H new ATOM 584 N GLU A 469 -9.241 -3.235 2.460 1.00 0.00 N ATOM 585 CA GLU A 469 -9.216 -3.227 3.918 1.00 0.00 C ATOM 586 C GLU A 469 -8.880 -1.836 4.448 1.00 0.00 C ATOM 587 O GLU A 469 -9.408 -1.407 5.474 1.00 0.00 O ATOM 588 CB GLU A 469 -8.198 -4.244 4.439 1.00 0.00 C ATOM 589 CG GLU A 469 -8.392 -4.604 5.902 1.00 0.00 C ATOM 590 CD GLU A 469 -8.275 -3.402 6.819 1.00 0.00 C ATOM 591 OE1 GLU A 469 -7.156 -2.862 6.947 1.00 0.00 O ATOM 592 OE2 GLU A 469 -9.300 -3.003 7.409 1.00 0.00 O ATOM 0 H GLU A 469 -8.698 -3.986 2.033 1.00 0.00 H new ATOM 0 HA GLU A 469 -10.208 -3.503 4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 469 -8.263 -5.151 3.838 1.00 0.00 H new ATOM 0 HB3 GLU A 469 -7.194 -3.843 4.302 1.00 0.00 H new ATOM 0 HG2 GLU A 469 -9.372 -5.062 6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 469 -7.651 -5.350 6.190 1.00 0.00 H new ATOM 599 N CYS A 470 -7.997 -1.138 3.742 1.00 0.00 N ATOM 600 CA CYS A 470 -7.588 0.204 4.142 1.00 0.00 C ATOM 601 C CYS A 470 -8.704 1.211 3.885 1.00 0.00 C ATOM 602 O CYS A 470 -9.103 1.953 4.781 1.00 0.00 O ATOM 603 CB CYS A 470 -6.325 0.620 3.387 1.00 0.00 C ATOM 604 SG CYS A 470 -4.840 -0.288 3.875 1.00 0.00 S ATOM 0 H CYS A 470 -7.551 -1.479 2.890 1.00 0.00 H new ATOM 0 HA CYS A 470 -7.375 0.190 5.211 1.00 0.00 H new ATOM 0 HB2 CYS A 470 -6.490 0.478 2.319 1.00 0.00 H new ATOM 0 HB3 CYS A 470 -6.155 1.685 3.545 1.00 0.00 H new ATOM 0 HG CYS A 470 -4.839 -1.457 3.306 1.00 0.00 H new ATOM 610 N GLY A 471 -9.203 1.233 2.653 1.00 0.00 N ATOM 611 CA GLY A 471 -10.267 2.154 2.299 1.00 0.00 C ATOM 612 C GLY A 471 -11.238 2.385 3.441 1.00 0.00 C ATOM 613 O GLY A 471 -11.732 3.497 3.631 1.00 0.00 O ATOM 0 H GLY A 471 -8.889 0.629 1.893 1.00 0.00 H new ATOM 0 HA2 GLY A 471 -9.833 3.107 1.997 1.00 0.00 H new ATOM 0 HA3 GLY A 471 -10.810 1.764 1.438 1.00 0.00 H new ATOM 617 N LYS A 472 -11.513 1.332 4.203 1.00 0.00 N ATOM 618 CA LYS A 472 -12.431 1.423 5.332 1.00 0.00 C ATOM 619 C LYS A 472 -12.101 2.629 6.205 1.00 0.00 C ATOM 620 O LYS A 472 -12.978 3.428 6.535 1.00 0.00 O ATOM 621 CB LYS A 472 -12.373 0.143 6.168 1.00 0.00 C ATOM 622 CG LYS A 472 -13.273 -0.964 5.649 1.00 0.00 C ATOM 623 CD LYS A 472 -12.718 -1.586 4.379 1.00 0.00 C ATOM 624 CE LYS A 472 -13.278 -2.981 4.150 1.00 0.00 C ATOM 625 NZ LYS A 472 -14.669 -2.941 3.619 1.00 0.00 N ATOM 0 H LYS A 472 -11.113 0.405 4.059 1.00 0.00 H new ATOM 0 HA LYS A 472 -13.440 1.547 4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 472 -11.345 -0.218 6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 472 -12.654 0.377 7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 472 -13.383 -1.733 6.414 1.00 0.00 H new ATOM 0 HG3 LYS A 472 -14.268 -0.564 5.454 1.00 0.00 H new ATOM 0 HD2 LYS A 472 -12.960 -0.951 3.526 1.00 0.00 H new ATOM 0 HD3 LYS A 472 -11.631 -1.635 4.442 1.00 0.00 H new ATOM 0 HE2 LYS A 472 -12.638 -3.519 3.451 1.00 0.00 H new ATOM 0 HE3 LYS A 472 -13.263 -3.537 5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 472 -15.014 -3.912 3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 472 -15.286 -2.450 4.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 472 -14.680 -2.433 2.711 1.00 0.00 H new ATOM 639 N PHE A 473 -10.831 2.756 6.575 1.00 0.00 N ATOM 640 CA PHE A 473 -10.385 3.866 7.410 1.00 0.00 C ATOM 641 C PHE A 473 -10.712 5.205 6.755 1.00 0.00 C ATOM 642 O PHE A 473 -11.307 6.084 7.377 1.00 0.00 O ATOM 643 CB PHE A 473 -8.881 3.765 7.668 1.00 0.00 C ATOM 644 CG PHE A 473 -8.446 2.414 8.160 1.00 0.00 C ATOM 645 CD1 PHE A 473 -8.764 1.992 9.440 1.00 0.00 C ATOM 646 CD2 PHE A 473 -7.718 1.565 7.341 1.00 0.00 C ATOM 647 CE1 PHE A 473 -8.366 0.749 9.896 1.00 0.00 C ATOM 648 CE2 PHE A 473 -7.318 0.321 7.790 1.00 0.00 C ATOM 649 CZ PHE A 473 -7.641 -0.087 9.070 1.00 0.00 C ATOM 0 H PHE A 473 -10.092 2.104 6.310 1.00 0.00 H new ATOM 0 HA PHE A 473 -10.914 3.808 8.361 1.00 0.00 H new ATOM 0 HB2 PHE A 473 -8.346 3.997 6.747 1.00 0.00 H new ATOM 0 HB3 PHE A 473 -8.595 4.519 8.401 1.00 0.00 H new ATOM 0 HD1 PHE A 473 -9.330 2.642 10.090 1.00 0.00 H new ATOM 0 HD2 PHE A 473 -7.460 1.880 6.340 1.00 0.00 H new ATOM 0 HE1 PHE A 473 -8.622 0.432 10.896 1.00 0.00 H new ATOM 0 HE2 PHE A 473 -6.753 -0.332 7.141 1.00 0.00 H new ATOM 0 HZ PHE A 473 -7.327 -1.058 9.424 1.00 0.00 H new ATOM 659 N GLY A 474 -10.317 5.352 5.494 1.00 0.00 N ATOM 660 CA GLY A 474 -10.575 6.586 4.775 1.00 0.00 C ATOM 661 C GLY A 474 -10.241 6.478 3.300 1.00 0.00 C ATOM 662 O GLY A 474 -10.159 5.379 2.754 1.00 0.00 O ATOM 0 H GLY A 474 -9.823 4.639 4.958 1.00 0.00 H new ATOM 0 HA2 GLY A 474 -11.625 6.856 4.888 1.00 0.00 H new ATOM 0 HA3 GLY A 474 -9.989 7.391 5.219 1.00 0.00 H new ATOM 666 N ALA A 475 -10.050 7.624 2.654 1.00 0.00 N ATOM 667 CA ALA A 475 -9.723 7.653 1.233 1.00 0.00 C ATOM 668 C ALA A 475 -8.253 7.320 1.001 1.00 0.00 C ATOM 669 O ALA A 475 -7.368 8.108 1.334 1.00 0.00 O ATOM 670 CB ALA A 475 -10.057 9.015 0.643 1.00 0.00 C ATOM 0 H ALA A 475 -10.116 8.543 3.091 1.00 0.00 H new ATOM 0 HA ALA A 475 -10.324 6.894 0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 475 -9.808 9.023 -0.418 1.00 0.00 H new ATOM 0 HB2 ALA A 475 -11.121 9.214 0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 475 -9.481 9.785 1.156 1.00 0.00 H new ATOM 676 N VAL A 476 -8.000 6.148 0.429 1.00 0.00 N ATOM 677 CA VAL A 476 -6.637 5.711 0.152 1.00 0.00 C ATOM 678 C VAL A 476 -6.025 6.510 -0.993 1.00 0.00 C ATOM 679 O VAL A 476 -6.525 6.486 -2.117 1.00 0.00 O ATOM 680 CB VAL A 476 -6.589 4.212 -0.201 1.00 0.00 C ATOM 681 CG1 VAL A 476 -5.171 3.793 -0.560 1.00 0.00 C ATOM 682 CG2 VAL A 476 -7.124 3.377 0.952 1.00 0.00 C ATOM 0 H VAL A 476 -8.721 5.484 0.148 1.00 0.00 H new ATOM 0 HA VAL A 476 -6.060 5.882 1.060 1.00 0.00 H new ATOM 0 HB VAL A 476 -7.224 4.040 -1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.157 2.731 -0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -4.828 4.370 -1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -4.511 3.978 0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -7.083 2.321 0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -6.517 3.551 1.840 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -8.156 3.660 1.157 1.00 0.00 H new ATOM 692 N ASN A 477 -4.940 7.219 -0.699 1.00 0.00 N ATOM 693 CA ASN A 477 -4.259 8.027 -1.704 1.00 0.00 C ATOM 694 C ASN A 477 -3.370 7.159 -2.589 1.00 0.00 C ATOM 695 O ASN A 477 -3.392 7.276 -3.814 1.00 0.00 O ATOM 696 CB ASN A 477 -3.421 9.116 -1.031 1.00 0.00 C ATOM 697 CG ASN A 477 -4.262 10.289 -0.567 1.00 0.00 C ATOM 698 OD1 ASN A 477 -5.368 10.111 -0.057 1.00 0.00 O ATOM 699 ND2 ASN A 477 -3.740 11.498 -0.743 1.00 0.00 N ATOM 0 H ASN A 477 -4.514 7.250 0.227 1.00 0.00 H new ATOM 0 HA ASN A 477 -5.017 8.497 -2.331 1.00 0.00 H new ATOM 0 HB2 ASN A 477 -2.895 8.690 -0.177 1.00 0.00 H new ATOM 0 HB3 ASN A 477 -2.662 9.470 -1.729 1.00 0.00 H new ATOM 0 HD21 ASN A 477 -4.260 12.325 -0.451 1.00 0.00 H new ATOM 0 HD22 ASN A 477 -2.819 11.599 -1.170 1.00 0.00 H new ATOM 706 N ARG A 478 -2.588 6.288 -1.959 1.00 0.00 N ATOM 707 CA ARG A 478 -1.691 5.400 -2.689 1.00 0.00 C ATOM 708 C ARG A 478 -1.034 4.397 -1.746 1.00 0.00 C ATOM 709 O ARG A 478 -0.960 4.620 -0.537 1.00 0.00 O ATOM 710 CB ARG A 478 -0.617 6.211 -3.416 1.00 0.00 C ATOM 711 CG ARG A 478 0.307 6.975 -2.482 1.00 0.00 C ATOM 712 CD ARG A 478 1.399 7.703 -3.250 1.00 0.00 C ATOM 713 NE ARG A 478 0.975 9.034 -3.675 1.00 0.00 N ATOM 714 CZ ARG A 478 0.299 9.268 -4.794 1.00 0.00 C ATOM 715 NH1 ARG A 478 -0.029 8.264 -5.597 1.00 0.00 N ATOM 716 NH2 ARG A 478 -0.051 10.507 -5.113 1.00 0.00 N ATOM 0 H ARG A 478 -2.558 6.178 -0.945 1.00 0.00 H new ATOM 0 HA ARG A 478 -2.281 4.851 -3.423 1.00 0.00 H new ATOM 0 HB2 ARG A 478 -0.021 5.538 -4.032 1.00 0.00 H new ATOM 0 HB3 ARG A 478 -1.101 6.917 -4.091 1.00 0.00 H new ATOM 0 HG2 ARG A 478 -0.273 7.694 -1.903 1.00 0.00 H new ATOM 0 HG3 ARG A 478 0.760 6.284 -1.771 1.00 0.00 H new ATOM 0 HD2 ARG A 478 2.287 7.788 -2.624 1.00 0.00 H new ATOM 0 HD3 ARG A 478 1.680 7.116 -4.124 1.00 0.00 H new ATOM 0 HE ARG A 478 1.211 9.828 -3.080 1.00 0.00 H new ATOM 0 HH11 ARG A 478 0.238 7.310 -5.356 1.00 0.00 H new ATOM 0 HH12 ARG A 478 -0.548 8.447 -6.456 1.00 0.00 H new ATOM 0 HH21 ARG A 478 0.199 11.282 -4.499 1.00 0.00 H new ATOM 0 HH22 ARG A 478 -0.570 10.685 -5.973 1.00 0.00 H new ATOM 730 N VAL A 479 -0.558 3.289 -2.306 1.00 0.00 N ATOM 731 CA VAL A 479 0.093 2.251 -1.516 1.00 0.00 C ATOM 732 C VAL A 479 1.404 1.813 -2.159 1.00 0.00 C ATOM 733 O VAL A 479 1.494 1.678 -3.380 1.00 0.00 O ATOM 734 CB VAL A 479 -0.818 1.022 -1.344 1.00 0.00 C ATOM 735 CG1 VAL A 479 -0.121 -0.049 -0.519 1.00 0.00 C ATOM 736 CG2 VAL A 479 -2.139 1.423 -0.705 1.00 0.00 C ATOM 0 H VAL A 479 -0.611 3.087 -3.304 1.00 0.00 H new ATOM 0 HA VAL A 479 0.298 2.681 -0.536 1.00 0.00 H new ATOM 0 HB VAL A 479 -1.028 0.607 -2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 479 -0.781 -0.910 -0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 479 0.796 -0.357 -1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 479 0.122 0.351 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 479 -2.770 0.542 -0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 479 -1.951 1.864 0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 479 -2.644 2.151 -1.340 1.00 0.00 H new ATOM 746 N ILE A 480 2.418 1.590 -1.330 1.00 0.00 N ATOM 747 CA ILE A 480 3.724 1.165 -1.818 1.00 0.00 C ATOM 748 C ILE A 480 4.206 -0.083 -1.085 1.00 0.00 C ATOM 749 O ILE A 480 4.057 -0.195 0.132 1.00 0.00 O ATOM 750 CB ILE A 480 4.776 2.279 -1.657 1.00 0.00 C ATOM 751 CG1 ILE A 480 4.376 3.509 -2.475 1.00 0.00 C ATOM 752 CG2 ILE A 480 6.148 1.777 -2.082 1.00 0.00 C ATOM 753 CD1 ILE A 480 5.101 4.771 -2.061 1.00 0.00 C ATOM 0 H ILE A 480 2.360 1.697 -0.317 1.00 0.00 H new ATOM 0 HA ILE A 480 3.606 0.939 -2.878 1.00 0.00 H new ATOM 0 HB ILE A 480 4.825 2.564 -0.606 1.00 0.00 H new ATOM 0 HG12 ILE A 480 4.574 3.315 -3.529 1.00 0.00 H new ATOM 0 HG13 ILE A 480 3.302 3.667 -2.377 1.00 0.00 H new ATOM 0 HG21 ILE A 480 6.881 2.575 -1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 480 6.433 0.927 -1.462 1.00 0.00 H new ATOM 0 HG23 ILE A 480 6.115 1.468 -3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 480 4.768 5.602 -2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 480 4.883 4.990 -1.016 1.00 0.00 H new ATOM 0 HD13 ILE A 480 6.175 4.631 -2.186 1.00 0.00 H new ATOM 765 N ILE A 481 4.784 -1.016 -1.833 1.00 0.00 N ATOM 766 CA ILE A 481 5.290 -2.254 -1.253 1.00 0.00 C ATOM 767 C ILE A 481 6.811 -2.319 -1.337 1.00 0.00 C ATOM 768 O ILE A 481 7.373 -2.629 -2.388 1.00 0.00 O ATOM 769 CB ILE A 481 4.695 -3.489 -1.956 1.00 0.00 C ATOM 770 CG1 ILE A 481 3.169 -3.475 -1.853 1.00 0.00 C ATOM 771 CG2 ILE A 481 5.261 -4.765 -1.352 1.00 0.00 C ATOM 772 CD1 ILE A 481 2.492 -4.455 -2.786 1.00 0.00 C ATOM 0 H ILE A 481 4.914 -0.939 -2.842 1.00 0.00 H new ATOM 0 HA ILE A 481 4.986 -2.260 -0.206 1.00 0.00 H new ATOM 0 HB ILE A 481 4.969 -3.457 -3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 481 2.880 -3.703 -0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 481 2.807 -2.470 -2.070 1.00 0.00 H new ATOM 0 HG21 ILE A 481 4.831 -5.629 -1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 481 6.344 -4.775 -1.472 1.00 0.00 H new ATOM 0 HG23 ILE A 481 5.013 -4.806 -0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 481 1.411 -4.391 -2.659 1.00 0.00 H new ATOM 0 HD12 ILE A 481 2.751 -4.214 -3.817 1.00 0.00 H new ATOM 0 HD13 ILE A 481 2.825 -5.467 -2.555 1.00 0.00 H new ATOM 784 N TYR A 482 7.473 -2.025 -0.223 1.00 0.00 N ATOM 785 CA TYR A 482 8.929 -2.049 -0.170 1.00 0.00 C ATOM 786 C TYR A 482 9.422 -3.112 0.808 1.00 0.00 C ATOM 787 O TYR A 482 8.923 -3.217 1.928 1.00 0.00 O ATOM 788 CB TYR A 482 9.469 -0.677 0.237 1.00 0.00 C ATOM 789 CG TYR A 482 10.910 -0.451 -0.160 1.00 0.00 C ATOM 790 CD1 TYR A 482 11.950 -0.813 0.687 1.00 0.00 C ATOM 791 CD2 TYR A 482 11.232 0.124 -1.384 1.00 0.00 C ATOM 792 CE1 TYR A 482 13.268 -0.607 0.328 1.00 0.00 C ATOM 793 CE2 TYR A 482 12.547 0.332 -1.751 1.00 0.00 C ATOM 794 CZ TYR A 482 13.562 -0.035 -0.892 1.00 0.00 C ATOM 795 OH TYR A 482 14.873 0.171 -1.253 1.00 0.00 O ATOM 0 H TYR A 482 7.023 -1.767 0.656 1.00 0.00 H new ATOM 0 HA TYR A 482 9.298 -2.297 -1.165 1.00 0.00 H new ATOM 0 HB2 TYR A 482 8.850 0.097 -0.217 1.00 0.00 H new ATOM 0 HB3 TYR A 482 9.377 -0.566 1.317 1.00 0.00 H new ATOM 0 HD1 TYR A 482 11.724 -1.263 1.642 1.00 0.00 H new ATOM 0 HD2 TYR A 482 10.440 0.413 -2.059 1.00 0.00 H new ATOM 0 HE1 TYR A 482 14.064 -0.892 0.999 1.00 0.00 H new ATOM 0 HE2 TYR A 482 12.780 0.780 -2.706 1.00 0.00 H new ATOM 0 HH TYR A 482 14.907 0.581 -2.142 1.00 0.00 H new ATOM 805 N GLN A 483 10.403 -3.897 0.375 1.00 0.00 N ATOM 806 CA GLN A 483 10.963 -4.951 1.211 1.00 0.00 C ATOM 807 C GLN A 483 12.483 -4.993 1.089 1.00 0.00 C ATOM 808 O GLN A 483 13.026 -4.984 -0.015 1.00 0.00 O ATOM 809 CB GLN A 483 10.371 -6.307 0.824 1.00 0.00 C ATOM 810 CG GLN A 483 10.629 -6.693 -0.624 1.00 0.00 C ATOM 811 CD GLN A 483 9.907 -7.964 -1.027 1.00 0.00 C ATOM 812 OE1 GLN A 483 8.581 -7.916 -1.030 1.00 0.00 O flip ATOM 813 NE2 GLN A 483 10.536 -8.978 -1.332 1.00 0.00 N flip ATOM 0 H GLN A 483 10.826 -3.823 -0.550 1.00 0.00 H new ATOM 0 HA GLN A 483 10.706 -4.733 2.247 1.00 0.00 H new ATOM 0 HB2 GLN A 483 10.787 -7.075 1.476 1.00 0.00 H new ATOM 0 HB3 GLN A 483 9.295 -6.288 1.000 1.00 0.00 H new ATOM 0 HG2 GLN A 483 10.313 -5.878 -1.275 1.00 0.00 H new ATOM 0 HG3 GLN A 483 11.700 -6.825 -0.776 1.00 0.00 H new ATOM 0 HE21 GLN A 483 11.556 -8.970 -1.316 1.00 0.00 H new ATOM 0 HE22 GLN A 483 10.037 -9.826 -1.601 1.00 0.00 H new ATOM 822 N GLU A 484 13.162 -5.040 2.231 1.00 0.00 N ATOM 823 CA GLU A 484 14.619 -5.082 2.251 1.00 0.00 C ATOM 824 C GLU A 484 15.121 -6.041 3.326 1.00 0.00 C ATOM 825 O GLU A 484 14.448 -6.274 4.330 1.00 0.00 O ATOM 826 CB GLU A 484 15.189 -3.683 2.494 1.00 0.00 C ATOM 827 CG GLU A 484 16.702 -3.612 2.369 1.00 0.00 C ATOM 828 CD GLU A 484 17.196 -4.050 1.004 1.00 0.00 C ATOM 829 OE1 GLU A 484 17.260 -3.197 0.094 1.00 0.00 O ATOM 830 OE2 GLU A 484 17.518 -5.246 0.846 1.00 0.00 O ATOM 0 H GLU A 484 12.727 -5.050 3.153 1.00 0.00 H new ATOM 0 HA GLU A 484 14.959 -5.441 1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 484 14.741 -2.989 1.783 1.00 0.00 H new ATOM 0 HB3 GLU A 484 14.899 -3.350 3.491 1.00 0.00 H new ATOM 0 HG2 GLU A 484 17.031 -2.590 2.560 1.00 0.00 H new ATOM 0 HG3 GLU A 484 17.156 -4.241 3.135 1.00 0.00 H new ATOM 837 N LYS A 485 16.309 -6.596 3.108 1.00 0.00 N ATOM 838 CA LYS A 485 16.903 -7.530 4.057 1.00 0.00 C ATOM 839 C LYS A 485 17.074 -6.880 5.426 1.00 0.00 C ATOM 840 O LYS A 485 17.565 -5.756 5.532 1.00 0.00 O ATOM 841 CB LYS A 485 18.258 -8.020 3.541 1.00 0.00 C ATOM 842 CG LYS A 485 18.701 -9.339 4.151 1.00 0.00 C ATOM 843 CD LYS A 485 19.727 -10.040 3.278 1.00 0.00 C ATOM 844 CE LYS A 485 19.060 -10.894 2.209 1.00 0.00 C ATOM 845 NZ LYS A 485 19.912 -12.048 1.809 1.00 0.00 N ATOM 0 H LYS A 485 16.879 -6.415 2.282 1.00 0.00 H new ATOM 0 HA LYS A 485 16.230 -8.381 4.160 1.00 0.00 H new ATOM 0 HB2 LYS A 485 18.207 -8.129 2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 485 19.013 -7.261 3.749 1.00 0.00 H new ATOM 0 HG2 LYS A 485 19.124 -9.160 5.139 1.00 0.00 H new ATOM 0 HG3 LYS A 485 17.835 -9.987 4.288 1.00 0.00 H new ATOM 0 HD2 LYS A 485 20.370 -9.299 2.804 1.00 0.00 H new ATOM 0 HD3 LYS A 485 20.367 -10.667 3.899 1.00 0.00 H new ATOM 0 HE2 LYS A 485 18.104 -11.261 2.582 1.00 0.00 H new ATOM 0 HE3 LYS A 485 18.847 -10.280 1.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 485 19.422 -12.605 1.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 485 20.815 -11.698 1.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 485 20.095 -12.649 2.638 1.00 0.00 H new ATOM 950 N GLU A 493 16.199 -13.236 7.156 1.00 0.00 N ATOM 951 CA GLU A 493 14.770 -13.127 6.886 1.00 0.00 C ATOM 952 C GLU A 493 14.453 -11.825 6.156 1.00 0.00 C ATOM 953 O GLU A 493 15.085 -10.796 6.398 1.00 0.00 O ATOM 954 CB GLU A 493 13.975 -13.199 8.191 1.00 0.00 C ATOM 955 CG GLU A 493 12.485 -13.412 7.985 1.00 0.00 C ATOM 956 CD GLU A 493 12.126 -14.871 7.783 1.00 0.00 C ATOM 957 OE1 GLU A 493 12.506 -15.437 6.737 1.00 0.00 O ATOM 958 OE2 GLU A 493 11.465 -15.448 8.673 1.00 0.00 O ATOM 0 HA GLU A 493 14.482 -13.962 6.247 1.00 0.00 H new ATOM 0 HB2 GLU A 493 14.369 -14.011 8.802 1.00 0.00 H new ATOM 0 HB3 GLU A 493 14.128 -12.276 8.751 1.00 0.00 H new ATOM 0 HG2 GLU A 493 11.944 -13.025 8.848 1.00 0.00 H new ATOM 0 HG3 GLU A 493 12.156 -12.838 7.119 1.00 0.00 H new ATOM 965 N ILE A 494 13.471 -11.878 5.263 1.00 0.00 N ATOM 966 CA ILE A 494 13.069 -10.704 4.498 1.00 0.00 C ATOM 967 C ILE A 494 11.689 -10.216 4.924 1.00 0.00 C ATOM 968 O ILE A 494 10.699 -10.938 4.800 1.00 0.00 O ATOM 969 CB ILE A 494 13.054 -10.995 2.986 1.00 0.00 C ATOM 970 CG1 ILE A 494 14.443 -11.430 2.514 1.00 0.00 C ATOM 971 CG2 ILE A 494 12.587 -9.769 2.215 1.00 0.00 C ATOM 972 CD1 ILE A 494 15.477 -10.328 2.583 1.00 0.00 C ATOM 0 H ILE A 494 12.939 -12.722 5.051 1.00 0.00 H new ATOM 0 HA ILE A 494 13.806 -9.927 4.703 1.00 0.00 H new ATOM 0 HB ILE A 494 12.354 -11.809 2.795 1.00 0.00 H new ATOM 0 HG12 ILE A 494 14.778 -12.270 3.122 1.00 0.00 H new ATOM 0 HG13 ILE A 494 14.373 -11.788 1.487 1.00 0.00 H new ATOM 0 HG21 ILE A 494 12.582 -9.991 1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 494 11.580 -9.500 2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 494 13.264 -8.937 2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 494 16.437 -10.708 2.234 1.00 0.00 H new ATOM 0 HD12 ILE A 494 15.164 -9.496 1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 494 15.576 -9.985 3.613 1.00 0.00 H new ATOM 984 N ILE A 495 11.630 -8.987 5.425 1.00 0.00 N ATOM 985 CA ILE A 495 10.370 -8.402 5.867 1.00 0.00 C ATOM 986 C ILE A 495 9.701 -7.623 4.740 1.00 0.00 C ATOM 987 O ILE A 495 10.248 -7.502 3.643 1.00 0.00 O ATOM 988 CB ILE A 495 10.576 -7.465 7.072 1.00 0.00 C ATOM 989 CG1 ILE A 495 11.471 -6.287 6.682 1.00 0.00 C ATOM 990 CG2 ILE A 495 11.178 -8.230 8.241 1.00 0.00 C ATOM 991 CD1 ILE A 495 10.770 -5.252 5.830 1.00 0.00 C ATOM 0 H ILE A 495 12.440 -8.377 5.535 1.00 0.00 H new ATOM 0 HA ILE A 495 9.726 -9.229 6.166 1.00 0.00 H new ATOM 0 HB ILE A 495 9.606 -7.074 7.380 1.00 0.00 H new ATOM 0 HG12 ILE A 495 11.843 -5.808 7.588 1.00 0.00 H new ATOM 0 HG13 ILE A 495 12.339 -6.664 6.141 1.00 0.00 H new ATOM 0 HG21 ILE A 495 11.318 -7.554 9.085 1.00 0.00 H new ATOM 0 HG22 ILE A 495 10.507 -9.039 8.531 1.00 0.00 H new ATOM 0 HG23 ILE A 495 12.141 -8.646 7.946 1.00 0.00 H new ATOM 0 HD11 ILE A 495 11.464 -4.446 5.591 1.00 0.00 H new ATOM 0 HD12 ILE A 495 10.422 -5.716 4.907 1.00 0.00 H new ATOM 0 HD13 ILE A 495 9.918 -4.847 6.377 1.00 0.00 H new ATOM 1003 N VAL A 496 8.514 -7.093 5.017 1.00 0.00 N ATOM 1004 CA VAL A 496 7.770 -6.322 4.028 1.00 0.00 C ATOM 1005 C VAL A 496 7.127 -5.093 4.660 1.00 0.00 C ATOM 1006 O VAL A 496 6.330 -5.205 5.592 1.00 0.00 O ATOM 1007 CB VAL A 496 6.676 -7.175 3.359 1.00 0.00 C ATOM 1008 CG1 VAL A 496 5.877 -6.338 2.371 1.00 0.00 C ATOM 1009 CG2 VAL A 496 7.290 -8.385 2.671 1.00 0.00 C ATOM 0 H VAL A 496 8.047 -7.184 5.919 1.00 0.00 H new ATOM 0 HA VAL A 496 8.486 -6.004 3.270 1.00 0.00 H new ATOM 0 HB VAL A 496 5.995 -7.532 4.131 1.00 0.00 H new ATOM 0 HG11 VAL A 496 5.109 -6.957 1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 496 5.406 -5.507 2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 496 6.543 -5.950 1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 496 6.503 -8.976 2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 496 7.994 -8.052 1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 496 7.814 -8.995 3.407 1.00 0.00 H new ATOM 1019 N LYS A 497 7.476 -3.919 4.146 1.00 0.00 N ATOM 1020 CA LYS A 497 6.932 -2.667 4.657 1.00 0.00 C ATOM 1021 C LYS A 497 5.928 -2.069 3.676 1.00 0.00 C ATOM 1022 O LYS A 497 6.303 -1.591 2.605 1.00 0.00 O ATOM 1023 CB LYS A 497 8.060 -1.667 4.922 1.00 0.00 C ATOM 1024 CG LYS A 497 8.994 -2.086 6.044 1.00 0.00 C ATOM 1025 CD LYS A 497 9.693 -0.889 6.664 1.00 0.00 C ATOM 1026 CE LYS A 497 11.002 -1.290 7.329 1.00 0.00 C ATOM 1027 NZ LYS A 497 12.127 -1.333 6.355 1.00 0.00 N ATOM 0 H LYS A 497 8.134 -3.808 3.375 1.00 0.00 H new ATOM 0 HA LYS A 497 6.416 -2.880 5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 497 8.640 -1.536 4.008 1.00 0.00 H new ATOM 0 HB3 LYS A 497 7.625 -0.698 5.166 1.00 0.00 H new ATOM 0 HG2 LYS A 497 8.428 -2.615 6.811 1.00 0.00 H new ATOM 0 HG3 LYS A 497 9.738 -2.783 5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 497 9.888 -0.142 5.895 1.00 0.00 H new ATOM 0 HD3 LYS A 497 9.037 -0.424 7.400 1.00 0.00 H new ATOM 0 HE2 LYS A 497 11.237 -0.583 8.125 1.00 0.00 H new ATOM 0 HE3 LYS A 497 10.888 -2.268 7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 497 13.001 -1.610 6.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 497 11.914 -2.026 5.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 497 12.253 -0.393 5.928 1.00 0.00 H new ATOM 1041 N ILE A 498 4.654 -2.097 4.050 1.00 0.00 N ATOM 1042 CA ILE A 498 3.597 -1.556 3.204 1.00 0.00 C ATOM 1043 C ILE A 498 3.228 -0.137 3.626 1.00 0.00 C ATOM 1044 O ILE A 498 2.666 0.076 4.700 1.00 0.00 O ATOM 1045 CB ILE A 498 2.335 -2.437 3.246 1.00 0.00 C ATOM 1046 CG1 ILE A 498 2.665 -3.861 2.797 1.00 0.00 C ATOM 1047 CG2 ILE A 498 1.243 -1.839 2.371 1.00 0.00 C ATOM 1048 CD1 ILE A 498 1.591 -4.869 3.142 1.00 0.00 C ATOM 0 H ILE A 498 4.328 -2.489 4.934 1.00 0.00 H new ATOM 0 HA ILE A 498 3.985 -1.541 2.185 1.00 0.00 H new ATOM 0 HB ILE A 498 1.971 -2.476 4.273 1.00 0.00 H new ATOM 0 HG12 ILE A 498 2.823 -3.866 1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 498 3.603 -4.170 3.258 1.00 0.00 H new ATOM 0 HG21 ILE A 498 0.357 -2.473 2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 498 0.992 -0.842 2.733 1.00 0.00 H new ATOM 0 HG23 ILE A 498 1.596 -1.774 1.342 1.00 0.00 H new ATOM 0 HD11 ILE A 498 1.893 -5.856 2.793 1.00 0.00 H new ATOM 0 HD12 ILE A 498 1.449 -4.893 4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 498 0.656 -4.584 2.659 1.00 0.00 H new ATOM 1060 N PHE A 499 3.547 0.830 2.772 1.00 0.00 N ATOM 1061 CA PHE A 499 3.249 2.229 3.055 1.00 0.00 C ATOM 1062 C PHE A 499 1.859 2.602 2.546 1.00 0.00 C ATOM 1063 O PHE A 499 1.609 2.610 1.341 1.00 0.00 O ATOM 1064 CB PHE A 499 4.300 3.137 2.414 1.00 0.00 C ATOM 1065 CG PHE A 499 5.703 2.839 2.862 1.00 0.00 C ATOM 1066 CD1 PHE A 499 6.377 1.729 2.379 1.00 0.00 C ATOM 1067 CD2 PHE A 499 6.346 3.669 3.766 1.00 0.00 C ATOM 1068 CE1 PHE A 499 7.668 1.452 2.789 1.00 0.00 C ATOM 1069 CE2 PHE A 499 7.637 3.397 4.179 1.00 0.00 C ATOM 1070 CZ PHE A 499 8.298 2.287 3.691 1.00 0.00 C ATOM 0 H PHE A 499 4.012 0.670 1.878 1.00 0.00 H new ATOM 0 HA PHE A 499 3.271 2.368 4.136 1.00 0.00 H new ATOM 0 HB2 PHE A 499 4.244 3.036 1.330 1.00 0.00 H new ATOM 0 HB3 PHE A 499 4.064 4.175 2.650 1.00 0.00 H new ATOM 0 HD1 PHE A 499 5.888 1.073 1.674 1.00 0.00 H new ATOM 0 HD2 PHE A 499 5.833 4.538 4.152 1.00 0.00 H new ATOM 0 HE1 PHE A 499 8.183 0.584 2.405 1.00 0.00 H new ATOM 0 HE2 PHE A 499 8.128 4.052 4.883 1.00 0.00 H new ATOM 0 HZ PHE A 499 9.306 2.072 4.014 1.00 0.00 H new ATOM 1080 N VAL A 500 0.959 2.911 3.474 1.00 0.00 N ATOM 1081 CA VAL A 500 -0.405 3.286 3.120 1.00 0.00 C ATOM 1082 C VAL A 500 -0.633 4.780 3.318 1.00 0.00 C ATOM 1083 O VAL A 500 -0.751 5.255 4.447 1.00 0.00 O ATOM 1084 CB VAL A 500 -1.436 2.505 3.957 1.00 0.00 C ATOM 1085 CG1 VAL A 500 -2.848 2.970 3.634 1.00 0.00 C ATOM 1086 CG2 VAL A 500 -1.292 1.009 3.720 1.00 0.00 C ATOM 0 H VAL A 500 1.150 2.909 4.476 1.00 0.00 H new ATOM 0 HA VAL A 500 -0.539 3.038 2.067 1.00 0.00 H new ATOM 0 HB VAL A 500 -1.246 2.703 5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 500 -3.563 2.407 4.235 1.00 0.00 H new ATOM 0 HG12 VAL A 500 -2.942 4.032 3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -3.053 2.804 2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 500 -2.028 0.473 4.319 1.00 0.00 H new ATOM 0 HG22 VAL A 500 -1.455 0.790 2.665 1.00 0.00 H new ATOM 0 HG23 VAL A 500 -0.290 0.690 4.006 1.00 0.00 H new ATOM 1096 N GLU A 501 -0.694 5.515 2.212 1.00 0.00 N ATOM 1097 CA GLU A 501 -0.908 6.957 2.265 1.00 0.00 C ATOM 1098 C GLU A 501 -2.380 7.297 2.050 1.00 0.00 C ATOM 1099 O GLU A 501 -2.998 6.849 1.084 1.00 0.00 O ATOM 1100 CB GLU A 501 -0.052 7.660 1.210 1.00 0.00 C ATOM 1101 CG GLU A 501 -0.349 9.144 1.075 1.00 0.00 C ATOM 1102 CD GLU A 501 0.451 9.990 2.048 1.00 0.00 C ATOM 1103 OE1 GLU A 501 0.146 9.951 3.258 1.00 0.00 O ATOM 1104 OE2 GLU A 501 1.382 10.690 1.597 1.00 0.00 O ATOM 0 H GLU A 501 -0.598 5.137 1.270 1.00 0.00 H new ATOM 0 HA GLU A 501 -0.613 7.306 3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 501 1.000 7.530 1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 501 -0.210 7.177 0.246 1.00 0.00 H new ATOM 0 HG2 GLU A 501 -0.130 9.463 0.056 1.00 0.00 H new ATOM 0 HG3 GLU A 501 -1.413 9.314 1.241 1.00 0.00 H new ATOM 1111 N PHE A 502 -2.936 8.091 2.959 1.00 0.00 N ATOM 1112 CA PHE A 502 -4.336 8.491 2.871 1.00 0.00 C ATOM 1113 C PHE A 502 -4.461 9.934 2.392 1.00 0.00 C ATOM 1114 O PHE A 502 -3.467 10.573 2.048 1.00 0.00 O ATOM 1115 CB PHE A 502 -5.020 8.331 4.231 1.00 0.00 C ATOM 1116 CG PHE A 502 -5.328 6.904 4.583 1.00 0.00 C ATOM 1117 CD1 PHE A 502 -6.518 6.320 4.183 1.00 0.00 C ATOM 1118 CD2 PHE A 502 -4.428 6.148 5.316 1.00 0.00 C ATOM 1119 CE1 PHE A 502 -6.805 5.006 4.505 1.00 0.00 C ATOM 1120 CE2 PHE A 502 -4.709 4.834 5.641 1.00 0.00 C ATOM 1121 CZ PHE A 502 -5.899 4.263 5.236 1.00 0.00 C ATOM 0 H PHE A 502 -2.439 8.470 3.765 1.00 0.00 H new ATOM 0 HA PHE A 502 -4.828 7.843 2.146 1.00 0.00 H new ATOM 0 HB2 PHE A 502 -4.380 8.757 5.003 1.00 0.00 H new ATOM 0 HB3 PHE A 502 -5.946 8.905 4.233 1.00 0.00 H new ATOM 0 HD1 PHE A 502 -7.231 6.897 3.613 1.00 0.00 H new ATOM 0 HD2 PHE A 502 -3.496 6.590 5.637 1.00 0.00 H new ATOM 0 HE1 PHE A 502 -7.736 4.562 4.185 1.00 0.00 H new ATOM 0 HE2 PHE A 502 -3.998 4.255 6.211 1.00 0.00 H new ATOM 0 HZ PHE A 502 -6.121 3.237 5.490 1.00 0.00 H new ATOM 1131 N SER A 503 -5.689 10.440 2.372 1.00 0.00 N ATOM 1132 CA SER A 503 -5.946 11.806 1.931 1.00 0.00 C ATOM 1133 C SER A 503 -5.804 12.787 3.091 1.00 0.00 C ATOM 1134 O SER A 503 -5.371 13.925 2.907 1.00 0.00 O ATOM 1135 CB SER A 503 -7.347 11.915 1.326 1.00 0.00 C ATOM 1136 OG SER A 503 -7.324 11.643 -0.065 1.00 0.00 O ATOM 0 H SER A 503 -6.522 9.925 2.656 1.00 0.00 H new ATOM 0 HA SER A 503 -5.208 12.060 1.170 1.00 0.00 H new ATOM 0 HB2 SER A 503 -8.018 11.216 1.825 1.00 0.00 H new ATOM 0 HB3 SER A 503 -7.744 12.916 1.498 1.00 0.00 H new ATOM 0 HG SER A 503 -6.796 10.834 -0.231 1.00 0.00 H new ATOM 1142 N ILE A 504 -6.171 12.338 4.287 1.00 0.00 N ATOM 1143 CA ILE A 504 -6.084 13.174 5.477 1.00 0.00 C ATOM 1144 C ILE A 504 -5.215 12.521 6.546 1.00 0.00 C ATOM 1145 O ILE A 504 -4.854 11.349 6.436 1.00 0.00 O ATOM 1146 CB ILE A 504 -7.478 13.459 6.068 1.00 0.00 C ATOM 1147 CG1 ILE A 504 -8.192 12.148 6.401 1.00 0.00 C ATOM 1148 CG2 ILE A 504 -8.305 14.288 5.098 1.00 0.00 C ATOM 1149 CD1 ILE A 504 -8.911 11.534 5.220 1.00 0.00 C ATOM 0 H ILE A 504 -6.532 11.399 4.457 1.00 0.00 H new ATOM 0 HA ILE A 504 -5.630 14.115 5.168 1.00 0.00 H new ATOM 0 HB ILE A 504 -7.357 14.029 6.989 1.00 0.00 H new ATOM 0 HG12 ILE A 504 -7.463 11.434 6.783 1.00 0.00 H new ATOM 0 HG13 ILE A 504 -8.911 12.328 7.200 1.00 0.00 H new ATOM 0 HG21 ILE A 504 -9.287 14.481 5.530 1.00 0.00 H new ATOM 0 HG22 ILE A 504 -7.800 15.235 4.907 1.00 0.00 H new ATOM 0 HG23 ILE A 504 -8.421 13.743 4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 504 -9.394 10.607 5.530 1.00 0.00 H new ATOM 0 HD12 ILE A 504 -9.664 12.230 4.851 1.00 0.00 H new ATOM 0 HD13 ILE A 504 -8.193 11.322 4.427 1.00 0.00 H new ATOM 1161 N ALA A 505 -4.883 13.286 7.580 1.00 0.00 N ATOM 1162 CA ALA A 505 -4.059 12.781 8.671 1.00 0.00 C ATOM 1163 C ALA A 505 -4.908 12.053 9.709 1.00 0.00 C ATOM 1164 O ALA A 505 -4.465 11.077 10.313 1.00 0.00 O ATOM 1165 CB ALA A 505 -3.289 13.920 9.322 1.00 0.00 C ATOM 0 H ALA A 505 -5.172 14.258 7.685 1.00 0.00 H new ATOM 0 HA ALA A 505 -3.348 12.067 8.256 1.00 0.00 H new ATOM 0 HB1 ALA A 505 -2.678 13.528 10.135 1.00 0.00 H new ATOM 0 HB2 ALA A 505 -2.646 14.395 8.581 1.00 0.00 H new ATOM 0 HB3 ALA A 505 -3.991 14.655 9.717 1.00 0.00 H new ATOM 1171 N SER A 506 -6.130 12.535 9.910 1.00 0.00 N ATOM 1172 CA SER A 506 -7.040 11.933 10.878 1.00 0.00 C ATOM 1173 C SER A 506 -7.309 10.472 10.534 1.00 0.00 C ATOM 1174 O SER A 506 -6.958 9.570 11.293 1.00 0.00 O ATOM 1175 CB SER A 506 -8.357 12.710 10.924 1.00 0.00 C ATOM 1176 OG SER A 506 -8.238 13.868 11.731 1.00 0.00 O ATOM 0 H SER A 506 -6.513 13.341 9.416 1.00 0.00 H new ATOM 0 HA SER A 506 -6.568 11.976 11.859 1.00 0.00 H new ATOM 0 HB2 SER A 506 -8.650 12.996 9.914 1.00 0.00 H new ATOM 0 HB3 SER A 506 -9.147 12.070 11.316 1.00 0.00 H new ATOM 0 HG SER A 506 -9.092 14.348 11.743 1.00 0.00 H new ATOM 1182 N GLU A 507 -7.936 10.247 9.383 1.00 0.00 N ATOM 1183 CA GLU A 507 -8.254 8.895 8.938 1.00 0.00 C ATOM 1184 C GLU A 507 -7.059 7.965 9.127 1.00 0.00 C ATOM 1185 O GLU A 507 -7.213 6.810 9.524 1.00 0.00 O ATOM 1186 CB GLU A 507 -8.680 8.905 7.468 1.00 0.00 C ATOM 1187 CG GLU A 507 -10.066 9.485 7.240 1.00 0.00 C ATOM 1188 CD GLU A 507 -11.026 9.161 8.368 1.00 0.00 C ATOM 1189 OE1 GLU A 507 -10.906 9.779 9.446 1.00 0.00 O ATOM 1190 OE2 GLU A 507 -11.899 8.290 8.171 1.00 0.00 O ATOM 0 H GLU A 507 -8.233 10.983 8.743 1.00 0.00 H new ATOM 0 HA GLU A 507 -9.080 8.525 9.545 1.00 0.00 H new ATOM 0 HB2 GLU A 507 -7.955 9.481 6.892 1.00 0.00 H new ATOM 0 HB3 GLU A 507 -8.654 7.885 7.084 1.00 0.00 H new ATOM 0 HG2 GLU A 507 -9.990 10.567 7.132 1.00 0.00 H new ATOM 0 HG3 GLU A 507 -10.468 9.099 6.303 1.00 0.00 H new ATOM 1197 N THR A 508 -5.867 8.477 8.838 1.00 0.00 N ATOM 1198 CA THR A 508 -4.645 7.694 8.974 1.00 0.00 C ATOM 1199 C THR A 508 -4.398 7.309 10.428 1.00 0.00 C ATOM 1200 O THR A 508 -4.207 6.134 10.746 1.00 0.00 O ATOM 1201 CB THR A 508 -3.422 8.464 8.443 1.00 0.00 C ATOM 1202 OG1 THR A 508 -3.412 8.442 7.012 1.00 0.00 O ATOM 1203 CG2 THR A 508 -2.130 7.861 8.974 1.00 0.00 C ATOM 0 H THR A 508 -5.722 9.431 8.508 1.00 0.00 H new ATOM 0 HA THR A 508 -4.781 6.790 8.380 1.00 0.00 H new ATOM 0 HB THR A 508 -3.492 9.495 8.789 1.00 0.00 H new ATOM 0 HG1 THR A 508 -4.067 7.787 6.690 1.00 0.00 H new ATOM 0 HG21 THR A 508 -1.280 8.422 8.585 1.00 0.00 H new ATOM 0 HG22 THR A 508 -2.128 7.907 10.063 1.00 0.00 H new ATOM 0 HG23 THR A 508 -2.055 6.821 8.655 1.00 0.00 H new ATOM 1211 N HIS A 509 -4.402 8.305 11.308 1.00 0.00 N ATOM 1212 CA HIS A 509 -4.179 8.069 12.730 1.00 0.00 C ATOM 1213 C HIS A 509 -5.068 6.938 13.239 1.00 0.00 C ATOM 1214 O HIS A 509 -4.645 6.122 14.058 1.00 0.00 O ATOM 1215 CB HIS A 509 -4.450 9.345 13.529 1.00 0.00 C ATOM 1216 CG HIS A 509 -3.247 10.225 13.677 1.00 0.00 C ATOM 1217 ND1 HIS A 509 -2.656 10.493 14.894 1.00 0.00 N ATOM 1218 CD2 HIS A 509 -2.522 10.897 12.752 1.00 0.00 C ATOM 1219 CE1 HIS A 509 -1.621 11.294 14.712 1.00 0.00 C ATOM 1220 NE2 HIS A 509 -1.518 11.554 13.421 1.00 0.00 N ATOM 0 H HIS A 509 -4.557 9.283 11.062 1.00 0.00 H new ATOM 0 HA HIS A 509 -3.137 7.778 12.866 1.00 0.00 H new ATOM 0 HB2 HIS A 509 -5.244 9.909 13.040 1.00 0.00 H new ATOM 0 HB3 HIS A 509 -4.815 9.073 14.519 1.00 0.00 H new ATOM 0 HD2 HIS A 509 -2.700 10.913 11.687 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -0.970 11.672 15.487 1.00 0.00 H new ATOM 0 HE2 HIS A 509 -0.808 12.147 12.991 1.00 0.00 H new ATOM 1228 N LYS A 510 -6.302 6.896 12.750 1.00 0.00 N ATOM 1229 CA LYS A 510 -7.252 5.866 13.154 1.00 0.00 C ATOM 1230 C LYS A 510 -6.779 4.486 12.708 1.00 0.00 C ATOM 1231 O LYS A 510 -6.574 3.594 13.531 1.00 0.00 O ATOM 1232 CB LYS A 510 -8.634 6.158 12.566 1.00 0.00 C ATOM 1233 CG LYS A 510 -9.667 5.090 12.882 1.00 0.00 C ATOM 1234 CD LYS A 510 -10.966 5.333 12.132 1.00 0.00 C ATOM 1235 CE LYS A 510 -10.966 4.641 10.777 1.00 0.00 C ATOM 1236 NZ LYS A 510 -11.421 3.226 10.877 1.00 0.00 N ATOM 0 H LYS A 510 -6.669 7.564 12.072 1.00 0.00 H new ATOM 0 HA LYS A 510 -7.318 5.875 14.242 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -8.987 7.117 12.947 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -8.546 6.258 11.484 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -9.271 4.110 12.618 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -9.862 5.077 13.954 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -11.804 4.970 12.727 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -11.113 6.404 11.995 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -11.617 5.184 10.092 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -9.962 4.671 10.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -11.055 2.686 10.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -11.066 2.809 11.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -12.461 3.194 10.872 1.00 0.00 H new ATOM 1250 N ALA A 511 -6.608 4.318 11.401 1.00 0.00 N ATOM 1251 CA ALA A 511 -6.156 3.048 10.847 1.00 0.00 C ATOM 1252 C ALA A 511 -4.965 2.501 11.627 1.00 0.00 C ATOM 1253 O ALA A 511 -4.810 1.288 11.772 1.00 0.00 O ATOM 1254 CB ALA A 511 -5.798 3.211 9.377 1.00 0.00 C ATOM 0 H ALA A 511 -6.776 5.046 10.706 1.00 0.00 H new ATOM 0 HA ALA A 511 -6.973 2.331 10.933 1.00 0.00 H new ATOM 0 HB1 ALA A 511 -5.462 2.255 8.976 1.00 0.00 H new ATOM 0 HB2 ALA A 511 -6.675 3.548 8.824 1.00 0.00 H new ATOM 0 HB3 ALA A 511 -5.000 3.947 9.276 1.00 0.00 H new ATOM 1260 N ILE A 512 -4.126 3.403 12.125 1.00 0.00 N ATOM 1261 CA ILE A 512 -2.949 3.010 12.890 1.00 0.00 C ATOM 1262 C ILE A 512 -3.318 2.665 14.328 1.00 0.00 C ATOM 1263 O ILE A 512 -3.011 1.577 14.814 1.00 0.00 O ATOM 1264 CB ILE A 512 -1.885 4.124 12.898 1.00 0.00 C ATOM 1265 CG1 ILE A 512 -1.464 4.468 11.468 1.00 0.00 C ATOM 1266 CG2 ILE A 512 -0.680 3.699 13.723 1.00 0.00 C ATOM 1267 CD1 ILE A 512 -0.817 5.829 11.339 1.00 0.00 C ATOM 0 H ILE A 512 -4.239 4.410 12.013 1.00 0.00 H new ATOM 0 HA ILE A 512 -2.536 2.127 12.402 1.00 0.00 H new ATOM 0 HB ILE A 512 -2.317 5.015 13.353 1.00 0.00 H new ATOM 0 HG12 ILE A 512 -0.769 3.709 11.110 1.00 0.00 H new ATOM 0 HG13 ILE A 512 -2.340 4.428 10.821 1.00 0.00 H new ATOM 0 HG21 ILE A 512 0.063 4.496 13.719 1.00 0.00 H new ATOM 0 HG22 ILE A 512 -0.993 3.499 14.748 1.00 0.00 H new ATOM 0 HG23 ILE A 512 -0.245 2.796 13.294 1.00 0.00 H new ATOM 0 HD11 ILE A 512 -0.545 6.005 10.298 1.00 0.00 H new ATOM 0 HD12 ILE A 512 -1.518 6.597 11.666 1.00 0.00 H new ATOM 0 HD13 ILE A 512 0.078 5.867 11.960 1.00 0.00 H new ATOM 1279 N GLN A 513 -3.981 3.598 15.004 1.00 0.00 N ATOM 1280 CA GLN A 513 -4.393 3.392 16.387 1.00 0.00 C ATOM 1281 C GLN A 513 -5.041 2.022 16.563 1.00 0.00 C ATOM 1282 O GLN A 513 -5.042 1.462 17.659 1.00 0.00 O ATOM 1283 CB GLN A 513 -5.367 4.489 16.820 1.00 0.00 C ATOM 1284 CG GLN A 513 -4.682 5.717 17.397 1.00 0.00 C ATOM 1285 CD GLN A 513 -5.576 6.493 18.344 1.00 0.00 C ATOM 1286 OE1 GLN A 513 -5.193 6.785 19.478 1.00 0.00 O ATOM 1287 NE2 GLN A 513 -6.774 6.832 17.884 1.00 0.00 N ATOM 0 H GLN A 513 -4.244 4.504 14.616 1.00 0.00 H new ATOM 0 HA GLN A 513 -3.504 3.437 17.015 1.00 0.00 H new ATOM 0 HB2 GLN A 513 -5.969 4.788 15.962 1.00 0.00 H new ATOM 0 HB3 GLN A 513 -6.052 4.082 17.564 1.00 0.00 H new ATOM 0 HG2 GLN A 513 -3.779 5.410 17.925 1.00 0.00 H new ATOM 0 HG3 GLN A 513 -4.368 6.370 16.582 1.00 0.00 H new ATOM 0 HE21 GLN A 513 -7.050 6.569 16.938 1.00 0.00 H new ATOM 0 HE22 GLN A 513 -7.419 7.355 18.477 1.00 0.00 H new ATOM 1296 N ALA A 514 -5.590 1.489 15.477 1.00 0.00 N ATOM 1297 CA ALA A 514 -6.239 0.184 15.512 1.00 0.00 C ATOM 1298 C ALA A 514 -5.278 -0.919 15.082 1.00 0.00 C ATOM 1299 O ALA A 514 -5.017 -1.858 15.835 1.00 0.00 O ATOM 1300 CB ALA A 514 -7.475 0.186 14.623 1.00 0.00 C ATOM 0 H ALA A 514 -5.598 1.940 14.562 1.00 0.00 H new ATOM 0 HA ALA A 514 -6.543 -0.016 16.539 1.00 0.00 H new ATOM 0 HB1 ALA A 514 -7.950 -0.794 14.658 1.00 0.00 H new ATOM 0 HB2 ALA A 514 -8.176 0.942 14.976 1.00 0.00 H new ATOM 0 HB3 ALA A 514 -7.185 0.412 13.597 1.00 0.00 H new ATOM 1306 N LEU A 515 -4.754 -0.800 13.867 1.00 0.00 N ATOM 1307 CA LEU A 515 -3.821 -1.788 13.336 1.00 0.00 C ATOM 1308 C LEU A 515 -2.610 -1.940 14.251 1.00 0.00 C ATOM 1309 O LEU A 515 -1.867 -2.916 14.157 1.00 0.00 O ATOM 1310 CB LEU A 515 -3.367 -1.387 11.932 1.00 0.00 C ATOM 1311 CG LEU A 515 -4.423 -1.490 10.830 1.00 0.00 C ATOM 1312 CD1 LEU A 515 -4.100 -0.535 9.691 1.00 0.00 C ATOM 1313 CD2 LEU A 515 -4.522 -2.919 10.318 1.00 0.00 C ATOM 0 H LEU A 515 -4.959 -0.029 13.231 1.00 0.00 H new ATOM 0 HA LEU A 515 -4.336 -2.747 13.284 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -3.007 -0.359 11.968 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -2.518 -2.012 11.654 1.00 0.00 H new ATOM 0 HG LEU A 515 -5.388 -1.209 11.251 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -4.862 -0.622 8.916 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -4.081 0.488 10.068 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -3.126 -0.785 9.272 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -5.278 -2.973 9.535 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -3.558 -3.228 9.914 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -4.801 -3.581 11.138 1.00 0.00 H new ATOM 1325 N ASN A 516 -2.418 -0.968 15.136 1.00 0.00 N ATOM 1326 CA ASN A 516 -1.298 -0.994 16.069 1.00 0.00 C ATOM 1327 C ASN A 516 -1.258 -2.312 16.836 1.00 0.00 C ATOM 1328 O ASN A 516 -0.237 -2.674 17.419 1.00 0.00 O ATOM 1329 CB ASN A 516 -1.396 0.176 17.050 1.00 0.00 C ATOM 1330 CG ASN A 516 -2.423 -0.067 18.139 1.00 0.00 C ATOM 1331 OD1 ASN A 516 -3.550 -0.478 17.864 1.00 0.00 O ATOM 1332 ND2 ASN A 516 -2.036 0.187 19.384 1.00 0.00 N ATOM 0 H ASN A 516 -3.024 -0.152 15.227 1.00 0.00 H new ATOM 0 HA ASN A 516 -0.377 -0.901 15.493 1.00 0.00 H new ATOM 0 HB2 ASN A 516 -0.421 0.347 17.506 1.00 0.00 H new ATOM 0 HB3 ASN A 516 -1.656 1.083 16.505 1.00 0.00 H new ATOM 0 HD21 ASN A 516 -2.683 0.042 20.159 1.00 0.00 H new ATOM 0 HD22 ASN A 516 -1.091 0.527 19.565 1.00 0.00 H new ATOM 1339 N GLY A 517 -2.379 -3.028 16.829 1.00 0.00 N ATOM 1340 CA GLY A 517 -2.452 -4.299 17.526 1.00 0.00 C ATOM 1341 C GLY A 517 -3.584 -5.172 17.022 1.00 0.00 C ATOM 1342 O GLY A 517 -4.328 -5.752 17.813 1.00 0.00 O ATOM 0 H GLY A 517 -3.237 -2.750 16.353 1.00 0.00 H new ATOM 0 HA2 GLY A 517 -1.507 -4.830 17.407 1.00 0.00 H new ATOM 0 HA3 GLY A 517 -2.584 -4.118 18.593 1.00 0.00 H new ATOM 1346 N ARG A 518 -3.714 -5.266 15.703 1.00 0.00 N ATOM 1347 CA ARG A 518 -4.765 -6.073 15.095 1.00 0.00 C ATOM 1348 C ARG A 518 -4.352 -7.540 15.025 1.00 0.00 C ATOM 1349 O ARG A 518 -3.165 -7.864 15.070 1.00 0.00 O ATOM 1350 CB ARG A 518 -5.088 -5.555 13.692 1.00 0.00 C ATOM 1351 CG ARG A 518 -6.171 -4.489 13.670 1.00 0.00 C ATOM 1352 CD ARG A 518 -7.560 -5.107 13.632 1.00 0.00 C ATOM 1353 NE ARG A 518 -7.957 -5.642 14.932 1.00 0.00 N ATOM 1354 CZ ARG A 518 -8.472 -4.900 15.906 1.00 0.00 C ATOM 1355 NH1 ARG A 518 -8.651 -3.599 15.728 1.00 0.00 N ATOM 1356 NH2 ARG A 518 -8.809 -5.460 17.061 1.00 0.00 N ATOM 0 H ARG A 518 -3.105 -4.794 15.035 1.00 0.00 H new ATOM 0 HA ARG A 518 -5.656 -5.994 15.718 1.00 0.00 H new ATOM 0 HB2 ARG A 518 -4.180 -5.148 13.247 1.00 0.00 H new ATOM 0 HB3 ARG A 518 -5.401 -6.392 13.068 1.00 0.00 H new ATOM 0 HG2 ARG A 518 -6.077 -3.855 14.552 1.00 0.00 H new ATOM 0 HG3 ARG A 518 -6.033 -3.847 12.800 1.00 0.00 H new ATOM 0 HD2 ARG A 518 -8.282 -4.356 13.313 1.00 0.00 H new ATOM 0 HD3 ARG A 518 -7.582 -5.905 12.890 1.00 0.00 H new ATOM 0 HE ARG A 518 -7.832 -6.640 15.101 1.00 0.00 H new ATOM 0 HH11 ARG A 518 -8.393 -3.165 14.842 1.00 0.00 H new ATOM 0 HH12 ARG A 518 -9.047 -3.031 16.477 1.00 0.00 H new ATOM 0 HH21 ARG A 518 -8.673 -6.461 17.201 1.00 0.00 H new ATOM 0 HH22 ARG A 518 -9.204 -4.889 17.808 1.00 0.00 H new ATOM 1370 N TRP A 519 -5.339 -8.422 14.914 1.00 0.00 N ATOM 1371 CA TRP A 519 -5.077 -9.855 14.838 1.00 0.00 C ATOM 1372 C TRP A 519 -5.338 -10.382 13.432 1.00 0.00 C ATOM 1373 O TRP A 519 -6.487 -10.504 13.007 1.00 0.00 O ATOM 1374 CB TRP A 519 -5.947 -10.607 15.847 1.00 0.00 C ATOM 1375 CG TRP A 519 -5.275 -10.819 17.170 1.00 0.00 C ATOM 1376 CD1 TRP A 519 -5.514 -10.137 18.329 1.00 0.00 C ATOM 1377 CD2 TRP A 519 -4.252 -11.775 17.468 1.00 0.00 C ATOM 1378 NE1 TRP A 519 -4.701 -10.612 19.330 1.00 0.00 N ATOM 1379 CE2 TRP A 519 -3.919 -11.618 18.828 1.00 0.00 C ATOM 1380 CE3 TRP A 519 -3.588 -12.751 16.720 1.00 0.00 C ATOM 1381 CZ2 TRP A 519 -2.949 -12.399 19.451 1.00 0.00 C ATOM 1382 CZ3 TRP A 519 -2.626 -13.525 17.340 1.00 0.00 C ATOM 1383 CH2 TRP A 519 -2.314 -13.346 18.695 1.00 0.00 C ATOM 0 H TRP A 519 -6.327 -8.171 14.875 1.00 0.00 H new ATOM 0 HA TRP A 519 -4.027 -10.021 15.079 1.00 0.00 H new ATOM 0 HB2 TRP A 519 -6.872 -10.052 16.002 1.00 0.00 H new ATOM 0 HB3 TRP A 519 -6.222 -11.575 15.428 1.00 0.00 H new ATOM 0 HD1 TRP A 519 -6.236 -9.342 18.442 1.00 0.00 H new ATOM 0 HE1 TRP A 519 -4.683 -10.271 20.291 1.00 0.00 H new ATOM 0 HE3 TRP A 519 -3.823 -12.898 15.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 519 -2.706 -12.262 20.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 519 -2.105 -14.281 16.771 1.00 0.00 H new ATOM 0 HH2 TRP A 519 -1.558 -13.968 19.151 1.00 0.00 H new ATOM 1394 N PHE A 520 -4.264 -10.694 12.713 1.00 0.00 N ATOM 1395 CA PHE A 520 -4.378 -11.207 11.353 1.00 0.00 C ATOM 1396 C PHE A 520 -4.745 -12.688 11.359 1.00 0.00 C ATOM 1397 O PHE A 520 -4.518 -13.390 12.344 1.00 0.00 O ATOM 1398 CB PHE A 520 -3.064 -10.999 10.595 1.00 0.00 C ATOM 1399 CG PHE A 520 -3.188 -11.206 9.113 1.00 0.00 C ATOM 1400 CD1 PHE A 520 -3.115 -12.479 8.570 1.00 0.00 C ATOM 1401 CD2 PHE A 520 -3.376 -10.129 8.263 1.00 0.00 C ATOM 1402 CE1 PHE A 520 -3.229 -12.674 7.206 1.00 0.00 C ATOM 1403 CE2 PHE A 520 -3.491 -10.317 6.898 1.00 0.00 C ATOM 1404 CZ PHE A 520 -3.416 -11.591 6.369 1.00 0.00 C ATOM 0 H PHE A 520 -3.306 -10.600 13.050 1.00 0.00 H new ATOM 0 HA PHE A 520 -5.172 -10.656 10.849 1.00 0.00 H new ATOM 0 HB2 PHE A 520 -2.701 -9.989 10.784 1.00 0.00 H new ATOM 0 HB3 PHE A 520 -2.314 -11.686 10.988 1.00 0.00 H new ATOM 0 HD1 PHE A 520 -2.967 -13.329 9.220 1.00 0.00 H new ATOM 0 HD2 PHE A 520 -3.433 -9.131 8.671 1.00 0.00 H new ATOM 0 HE1 PHE A 520 -3.172 -13.671 6.796 1.00 0.00 H new ATOM 0 HE2 PHE A 520 -3.639 -9.469 6.246 1.00 0.00 H new ATOM 0 HZ PHE A 520 -3.503 -11.740 5.303 1.00 0.00 H new ATOM 1414 N ALA A 521 -5.314 -13.156 10.253 1.00 0.00 N ATOM 1415 CA ALA A 521 -5.712 -14.552 10.130 1.00 0.00 C ATOM 1416 C ALA A 521 -4.556 -15.485 10.478 1.00 0.00 C ATOM 1417 O ALA A 521 -3.800 -15.906 9.604 1.00 0.00 O ATOM 1418 CB ALA A 521 -6.215 -14.836 8.722 1.00 0.00 C ATOM 0 H ALA A 521 -5.510 -12.588 9.429 1.00 0.00 H new ATOM 0 HA ALA A 521 -6.521 -14.737 10.837 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -6.509 -15.883 8.645 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -7.075 -14.201 8.508 1.00 0.00 H new ATOM 0 HB3 ALA A 521 -5.422 -14.628 8.004 1.00 0.00 H new ATOM 1424 N GLY A 522 -4.425 -15.803 11.763 1.00 0.00 N ATOM 1425 CA GLY A 522 -3.359 -16.683 12.204 1.00 0.00 C ATOM 1426 C GLY A 522 -2.025 -15.971 12.308 1.00 0.00 C ATOM 1427 O GLY A 522 -0.970 -16.603 12.252 1.00 0.00 O ATOM 0 H GLY A 522 -5.038 -15.467 12.506 1.00 0.00 H new ATOM 0 HA2 GLY A 522 -3.619 -17.105 13.175 1.00 0.00 H new ATOM 0 HA3 GLY A 522 -3.269 -17.517 11.508 1.00 0.00 H new ATOM 1431 N ARG A 523 -2.071 -14.651 12.458 1.00 0.00 N ATOM 1432 CA ARG A 523 -0.857 -13.851 12.567 1.00 0.00 C ATOM 1433 C ARG A 523 -1.138 -12.530 13.275 1.00 0.00 C ATOM 1434 O ARG A 523 -2.291 -12.178 13.523 1.00 0.00 O ATOM 1435 CB ARG A 523 -0.270 -13.584 11.179 1.00 0.00 C ATOM 1436 CG ARG A 523 0.483 -14.770 10.598 1.00 0.00 C ATOM 1437 CD ARG A 523 1.451 -14.335 9.509 1.00 0.00 C ATOM 1438 NE ARG A 523 2.061 -15.476 8.832 1.00 0.00 N ATOM 1439 CZ ARG A 523 3.131 -16.117 9.290 1.00 0.00 C ATOM 1440 NH1 ARG A 523 3.705 -15.731 10.420 1.00 0.00 N ATOM 1441 NH2 ARG A 523 3.628 -17.146 8.616 1.00 0.00 N ATOM 0 H ARG A 523 -2.936 -14.113 12.507 1.00 0.00 H new ATOM 0 HA ARG A 523 -0.134 -14.413 13.158 1.00 0.00 H new ATOM 0 HB2 ARG A 523 -1.076 -13.308 10.500 1.00 0.00 H new ATOM 0 HB3 ARG A 523 0.404 -12.729 11.237 1.00 0.00 H new ATOM 0 HG2 ARG A 523 1.031 -15.279 11.391 1.00 0.00 H new ATOM 0 HG3 ARG A 523 -0.227 -15.489 10.189 1.00 0.00 H new ATOM 0 HD2 ARG A 523 0.924 -13.720 8.780 1.00 0.00 H new ATOM 0 HD3 ARG A 523 2.232 -13.712 9.946 1.00 0.00 H new ATOM 0 HE ARG A 523 1.643 -15.799 7.959 1.00 0.00 H new ATOM 0 HH11 ARG A 523 3.326 -14.940 10.941 1.00 0.00 H new ATOM 0 HH12 ARG A 523 4.526 -16.225 10.769 1.00 0.00 H new ATOM 0 HH21 ARG A 523 3.189 -17.446 7.746 1.00 0.00 H new ATOM 0 HH22 ARG A 523 4.449 -17.638 8.968 1.00 0.00 H new ATOM 1455 N LYS A 524 -0.075 -11.800 13.599 1.00 0.00 N ATOM 1456 CA LYS A 524 -0.206 -10.517 14.278 1.00 0.00 C ATOM 1457 C LYS A 524 0.230 -9.373 13.368 1.00 0.00 C ATOM 1458 O LYS A 524 1.179 -9.508 12.596 1.00 0.00 O ATOM 1459 CB LYS A 524 0.628 -10.508 15.562 1.00 0.00 C ATOM 1460 CG LYS A 524 0.211 -9.434 16.551 1.00 0.00 C ATOM 1461 CD LYS A 524 -0.854 -9.941 17.509 1.00 0.00 C ATOM 1462 CE LYS A 524 -1.462 -8.805 18.318 1.00 0.00 C ATOM 1463 NZ LYS A 524 -0.698 -8.545 19.569 1.00 0.00 N ATOM 0 H LYS A 524 0.887 -12.076 13.402 1.00 0.00 H new ATOM 0 HA LYS A 524 -1.256 -10.375 14.533 1.00 0.00 H new ATOM 0 HB2 LYS A 524 0.550 -11.483 16.043 1.00 0.00 H new ATOM 0 HB3 LYS A 524 1.677 -10.364 15.303 1.00 0.00 H new ATOM 0 HG2 LYS A 524 1.081 -9.101 17.116 1.00 0.00 H new ATOM 0 HG3 LYS A 524 -0.168 -8.567 16.010 1.00 0.00 H new ATOM 0 HD2 LYS A 524 -1.638 -10.449 16.947 1.00 0.00 H new ATOM 0 HD3 LYS A 524 -0.417 -10.677 18.184 1.00 0.00 H new ATOM 0 HE2 LYS A 524 -1.485 -7.899 17.712 1.00 0.00 H new ATOM 0 HE3 LYS A 524 -2.495 -9.049 18.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 524 -1.144 -7.764 20.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 524 -0.697 -9.401 20.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 524 0.281 -8.288 19.331 1.00 0.00 H new ATOM 1477 N VAL A 525 -0.468 -8.246 13.466 1.00 0.00 N ATOM 1478 CA VAL A 525 -0.151 -7.078 12.653 1.00 0.00 C ATOM 1479 C VAL A 525 0.311 -5.913 13.522 1.00 0.00 C ATOM 1480 O VAL A 525 -0.152 -5.744 14.650 1.00 0.00 O ATOM 1481 CB VAL A 525 -1.365 -6.630 11.817 1.00 0.00 C ATOM 1482 CG1 VAL A 525 -1.087 -5.294 11.145 1.00 0.00 C ATOM 1483 CG2 VAL A 525 -1.722 -7.690 10.786 1.00 0.00 C ATOM 0 H VAL A 525 -1.256 -8.117 14.100 1.00 0.00 H new ATOM 0 HA VAL A 525 0.656 -7.369 11.981 1.00 0.00 H new ATOM 0 HB VAL A 525 -2.217 -6.503 12.485 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -1.956 -4.994 10.559 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -0.884 -4.540 11.905 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -0.222 -5.390 10.489 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -2.582 -7.357 10.204 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -0.874 -7.850 10.120 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -1.967 -8.623 11.293 1.00 0.00 H new ATOM 1493 N VAL A 526 1.227 -5.112 12.988 1.00 0.00 N ATOM 1494 CA VAL A 526 1.752 -3.961 13.714 1.00 0.00 C ATOM 1495 C VAL A 526 1.770 -2.717 12.833 1.00 0.00 C ATOM 1496 O VAL A 526 2.496 -2.657 11.841 1.00 0.00 O ATOM 1497 CB VAL A 526 3.177 -4.228 14.235 1.00 0.00 C ATOM 1498 CG1 VAL A 526 3.764 -2.969 14.854 1.00 0.00 C ATOM 1499 CG2 VAL A 526 3.171 -5.373 15.237 1.00 0.00 C ATOM 0 H VAL A 526 1.621 -5.238 12.056 1.00 0.00 H new ATOM 0 HA VAL A 526 1.088 -3.793 14.562 1.00 0.00 H new ATOM 0 HB VAL A 526 3.806 -4.516 13.393 1.00 0.00 H new ATOM 0 HG11 VAL A 526 4.771 -3.177 15.216 1.00 0.00 H new ATOM 0 HG12 VAL A 526 3.804 -2.179 14.104 1.00 0.00 H new ATOM 0 HG13 VAL A 526 3.138 -2.647 15.686 1.00 0.00 H new ATOM 0 HG21 VAL A 526 4.185 -5.548 15.595 1.00 0.00 H new ATOM 0 HG22 VAL A 526 2.528 -5.116 16.079 1.00 0.00 H new ATOM 0 HG23 VAL A 526 2.795 -6.276 14.756 1.00 0.00 H new ATOM 1509 N ALA A 527 0.967 -1.725 13.202 1.00 0.00 N ATOM 1510 CA ALA A 527 0.892 -0.481 12.447 1.00 0.00 C ATOM 1511 C ALA A 527 1.782 0.591 13.066 1.00 0.00 C ATOM 1512 O ALA A 527 1.942 0.650 14.284 1.00 0.00 O ATOM 1513 CB ALA A 527 -0.548 0.005 12.371 1.00 0.00 C ATOM 0 H ALA A 527 0.359 -1.759 14.020 1.00 0.00 H new ATOM 0 HA ALA A 527 1.252 -0.676 11.437 1.00 0.00 H new ATOM 0 HB1 ALA A 527 -0.589 0.935 11.804 1.00 0.00 H new ATOM 0 HB2 ALA A 527 -1.161 -0.749 11.876 1.00 0.00 H new ATOM 0 HB3 ALA A 527 -0.928 0.177 13.378 1.00 0.00 H new ATOM 1519 N GLU A 528 2.360 1.436 12.217 1.00 0.00 N ATOM 1520 CA GLU A 528 3.236 2.505 12.683 1.00 0.00 C ATOM 1521 C GLU A 528 3.156 3.716 11.757 1.00 0.00 C ATOM 1522 O GLU A 528 2.820 3.590 10.579 1.00 0.00 O ATOM 1523 CB GLU A 528 4.681 2.010 12.768 1.00 0.00 C ATOM 1524 CG GLU A 528 4.853 0.785 13.651 1.00 0.00 C ATOM 1525 CD GLU A 528 4.708 1.104 15.126 1.00 0.00 C ATOM 1526 OE1 GLU A 528 4.015 2.089 15.455 1.00 0.00 O ATOM 1527 OE2 GLU A 528 5.287 0.368 15.952 1.00 0.00 O ATOM 0 H GLU A 528 2.238 1.401 11.205 1.00 0.00 H new ATOM 0 HA GLU A 528 2.903 2.805 13.677 1.00 0.00 H new ATOM 0 HB2 GLU A 528 5.036 1.777 11.764 1.00 0.00 H new ATOM 0 HB3 GLU A 528 5.310 2.814 13.150 1.00 0.00 H new ATOM 0 HG2 GLU A 528 4.115 0.034 13.371 1.00 0.00 H new ATOM 0 HG3 GLU A 528 5.836 0.348 13.472 1.00 0.00 H new ATOM 1534 N VAL A 529 3.467 4.889 12.299 1.00 0.00 N ATOM 1535 CA VAL A 529 3.431 6.123 11.523 1.00 0.00 C ATOM 1536 C VAL A 529 4.805 6.451 10.949 1.00 0.00 C ATOM 1537 O VAL A 529 5.784 6.574 11.685 1.00 0.00 O ATOM 1538 CB VAL A 529 2.947 7.309 12.378 1.00 0.00 C ATOM 1539 CG1 VAL A 529 4.025 7.731 13.365 1.00 0.00 C ATOM 1540 CG2 VAL A 529 2.541 8.475 11.489 1.00 0.00 C ATOM 0 H VAL A 529 3.747 5.011 13.272 1.00 0.00 H new ATOM 0 HA VAL A 529 2.728 5.963 10.706 1.00 0.00 H new ATOM 0 HB VAL A 529 2.072 6.992 12.946 1.00 0.00 H new ATOM 0 HG11 VAL A 529 3.665 8.570 13.960 1.00 0.00 H new ATOM 0 HG12 VAL A 529 4.263 6.895 14.023 1.00 0.00 H new ATOM 0 HG13 VAL A 529 4.920 8.030 12.820 1.00 0.00 H new ATOM 0 HG21 VAL A 529 2.202 9.305 12.109 1.00 0.00 H new ATOM 0 HG22 VAL A 529 3.397 8.794 10.893 1.00 0.00 H new ATOM 0 HG23 VAL A 529 1.734 8.163 10.826 1.00 0.00 H new ATOM 1550 N TYR A 530 4.870 6.592 9.629 1.00 0.00 N ATOM 1551 CA TYR A 530 6.124 6.904 8.955 1.00 0.00 C ATOM 1552 C TYR A 530 6.384 8.407 8.956 1.00 0.00 C ATOM 1553 O TYR A 530 5.485 9.204 8.688 1.00 0.00 O ATOM 1554 CB TYR A 530 6.099 6.381 7.518 1.00 0.00 C ATOM 1555 CG TYR A 530 7.472 6.241 6.900 1.00 0.00 C ATOM 1556 CD1 TYR A 530 8.386 5.318 7.391 1.00 0.00 C ATOM 1557 CD2 TYR A 530 7.854 7.033 5.824 1.00 0.00 C ATOM 1558 CE1 TYR A 530 9.642 5.188 6.830 1.00 0.00 C ATOM 1559 CE2 TYR A 530 9.107 6.909 5.256 1.00 0.00 C ATOM 1560 CZ TYR A 530 9.997 5.985 5.762 1.00 0.00 C ATOM 1561 OH TYR A 530 11.247 5.858 5.200 1.00 0.00 O ATOM 0 H TYR A 530 4.069 6.495 9.005 1.00 0.00 H new ATOM 0 HA TYR A 530 6.931 6.413 9.499 1.00 0.00 H new ATOM 0 HB2 TYR A 530 5.602 5.411 7.502 1.00 0.00 H new ATOM 0 HB3 TYR A 530 5.501 7.056 6.905 1.00 0.00 H new ATOM 0 HD1 TYR A 530 8.110 4.691 8.226 1.00 0.00 H new ATOM 0 HD2 TYR A 530 7.160 7.758 5.425 1.00 0.00 H new ATOM 0 HE1 TYR A 530 10.342 4.467 7.226 1.00 0.00 H new ATOM 0 HE2 TYR A 530 9.388 7.532 4.420 1.00 0.00 H new ATOM 0 HH TYR A 530 11.338 6.491 4.457 1.00 0.00 H new