USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=16 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 47:sc= 0.766 USER MOD Set 1.2: A 508 THR OG1 : rot 83:sc= 0.413 USER MOD Set 2.1: A 477 ASN : amide:sc= -3.28 K(o=-2.2,f=-6.7!) USER MOD Set 2.2: A 503 SER OG : rot 2:sc= 1.08 USER MOD Set 3.1: A 444 SER OG : rot 55:sc= 1.07 USER MOD Set 3.2: A 509 HIS : no HD1:sc= 0.547 K(o=1.6,f=-5.3!) USER MOD Single : A 447 MET CE :methyl -169:sc= -0.716 (180deg=-0.774) USER MOD Single : A 451 ASN : amide:sc= -0.146 K(o=-0.15,f=-2.1!) USER MOD Single : A 452 MET CE :methyl 152:sc= -1.7 (180deg=-2.96!) USER MOD Single : A 456 LYS NZ :NH3+ -123:sc= -0.0116 (180deg=-1.48) USER MOD Single : A 467 THR OG1 : rot 152:sc= 0.551 USER MOD Single : A 470 CYS SG : rot 83:sc= 0.659 USER MOD Single : A 472 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.137) USER MOD Single : A 482 TYR OH : rot 180:sc= 0 USER MOD Single : A 483 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 485 LYS NZ :NH3+ -136:sc= -1.65! (180deg=-4.61!) USER MOD Single : A 497 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.459) USER MOD Single : A 506 SER OG : rot 180:sc= 0 USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 513 GLN : amide:sc= -0.0404 K(o=-0.04,f=-1.2) USER MOD Single : A 516 ASN :FLIP amide:sc= -1.08 F(o=-2.7!,f=-1.1) USER MOD Single : A 524 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 530 TYR OH : rot 86:sc=0.000718 USER MOD ----------------------------------------------------------------- ATOM 204 N SER A 444 0.970 13.636 9.463 1.00 0.00 N ATOM 205 CA SER A 444 1.391 12.240 9.457 1.00 0.00 C ATOM 206 C SER A 444 0.293 11.345 8.891 1.00 0.00 C ATOM 207 O SER A 444 -0.274 10.513 9.600 1.00 0.00 O ATOM 208 CB SER A 444 1.754 11.788 10.873 1.00 0.00 C ATOM 209 OG SER A 444 0.615 11.790 11.716 1.00 0.00 O ATOM 0 HA SER A 444 2.271 12.154 8.820 1.00 0.00 H new ATOM 0 HB2 SER A 444 2.184 10.787 10.840 1.00 0.00 H new ATOM 0 HB3 SER A 444 2.517 12.449 11.285 1.00 0.00 H new ATOM 0 HG SER A 444 -0.089 11.238 11.316 1.00 0.00 H new ATOM 215 N THR A 445 -0.003 11.521 7.607 1.00 0.00 N ATOM 216 CA THR A 445 -1.033 10.731 6.944 1.00 0.00 C ATOM 217 C THR A 445 -0.432 9.509 6.258 1.00 0.00 C ATOM 218 O THR A 445 -1.088 8.857 5.445 1.00 0.00 O ATOM 219 CB THR A 445 -1.798 11.567 5.901 1.00 0.00 C ATOM 220 OG1 THR A 445 -2.819 10.772 5.289 1.00 0.00 O ATOM 221 CG2 THR A 445 -0.852 12.097 4.833 1.00 0.00 C ATOM 0 H THR A 445 0.457 12.204 7.005 1.00 0.00 H new ATOM 0 HA THR A 445 -1.728 10.405 7.718 1.00 0.00 H new ATOM 0 HB THR A 445 -2.256 12.414 6.412 1.00 0.00 H new ATOM 0 HG1 THR A 445 -3.320 10.293 5.982 1.00 0.00 H new ATOM 0 HG21 THR A 445 -1.415 12.684 4.107 1.00 0.00 H new ATOM 0 HG22 THR A 445 -0.093 12.726 5.299 1.00 0.00 H new ATOM 0 HG23 THR A 445 -0.369 11.261 4.327 1.00 0.00 H new ATOM 229 N VAL A 446 0.818 9.204 6.591 1.00 0.00 N ATOM 230 CA VAL A 446 1.506 8.058 6.008 1.00 0.00 C ATOM 231 C VAL A 446 1.729 6.965 7.047 1.00 0.00 C ATOM 232 O VAL A 446 2.601 7.080 7.907 1.00 0.00 O ATOM 233 CB VAL A 446 2.865 8.466 5.408 1.00 0.00 C ATOM 234 CG1 VAL A 446 3.567 7.258 4.807 1.00 0.00 C ATOM 235 CG2 VAL A 446 2.680 9.559 4.367 1.00 0.00 C ATOM 0 H VAL A 446 1.375 9.734 7.261 1.00 0.00 H new ATOM 0 HA VAL A 446 0.866 7.675 5.213 1.00 0.00 H new ATOM 0 HB VAL A 446 3.493 8.860 6.207 1.00 0.00 H new ATOM 0 HG11 VAL A 446 4.525 7.565 4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 446 3.733 6.511 5.583 1.00 0.00 H new ATOM 0 HG13 VAL A 446 2.946 6.831 4.019 1.00 0.00 H new ATOM 0 HG21 VAL A 446 3.650 9.835 3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 446 2.035 9.195 3.567 1.00 0.00 H new ATOM 0 HG23 VAL A 446 2.222 10.432 4.833 1.00 0.00 H new ATOM 245 N MET A 447 0.934 5.903 6.960 1.00 0.00 N ATOM 246 CA MET A 447 1.046 4.787 7.891 1.00 0.00 C ATOM 247 C MET A 447 1.866 3.652 7.285 1.00 0.00 C ATOM 248 O MET A 447 1.910 3.488 6.065 1.00 0.00 O ATOM 249 CB MET A 447 -0.343 4.277 8.279 1.00 0.00 C ATOM 250 CG MET A 447 -0.338 2.863 8.836 1.00 0.00 C ATOM 251 SD MET A 447 -1.998 2.242 9.171 1.00 0.00 S ATOM 252 CE MET A 447 -2.611 2.000 7.506 1.00 0.00 C ATOM 0 H MET A 447 0.206 5.792 6.254 1.00 0.00 H new ATOM 0 HA MET A 447 1.557 5.143 8.785 1.00 0.00 H new ATOM 0 HB2 MET A 447 -0.774 4.949 9.021 1.00 0.00 H new ATOM 0 HB3 MET A 447 -0.991 4.311 7.403 1.00 0.00 H new ATOM 0 HG2 MET A 447 0.158 2.199 8.128 1.00 0.00 H new ATOM 0 HG3 MET A 447 0.246 2.841 9.756 1.00 0.00 H new ATOM 0 HE1 MET A 447 -3.683 1.807 7.538 1.00 0.00 H new ATOM 0 HE2 MET A 447 -2.421 2.896 6.914 1.00 0.00 H new ATOM 0 HE3 MET A 447 -2.103 1.150 7.051 1.00 0.00 H new ATOM 262 N VAL A 448 2.514 2.871 8.143 1.00 0.00 N ATOM 263 CA VAL A 448 3.331 1.752 7.691 1.00 0.00 C ATOM 264 C VAL A 448 2.950 0.465 8.415 1.00 0.00 C ATOM 265 O VAL A 448 2.888 0.426 9.644 1.00 0.00 O ATOM 266 CB VAL A 448 4.831 2.027 7.913 1.00 0.00 C ATOM 267 CG1 VAL A 448 5.123 2.238 9.390 1.00 0.00 C ATOM 268 CG2 VAL A 448 5.669 0.888 7.352 1.00 0.00 C ATOM 0 H VAL A 448 2.489 2.993 9.155 1.00 0.00 H new ATOM 0 HA VAL A 448 3.144 1.634 6.624 1.00 0.00 H new ATOM 0 HB VAL A 448 5.098 2.940 7.382 1.00 0.00 H new ATOM 0 HG11 VAL A 448 6.187 2.431 9.527 1.00 0.00 H new ATOM 0 HG12 VAL A 448 4.550 3.090 9.756 1.00 0.00 H new ATOM 0 HG13 VAL A 448 4.842 1.345 9.948 1.00 0.00 H new ATOM 0 HG21 VAL A 448 6.726 1.098 7.517 1.00 0.00 H new ATOM 0 HG22 VAL A 448 5.401 -0.042 7.854 1.00 0.00 H new ATOM 0 HG23 VAL A 448 5.481 0.791 6.283 1.00 0.00 H new ATOM 278 N LEU A 449 2.694 -0.586 7.644 1.00 0.00 N ATOM 279 CA LEU A 449 2.318 -1.877 8.211 1.00 0.00 C ATOM 280 C LEU A 449 3.472 -2.870 8.115 1.00 0.00 C ATOM 281 O LEU A 449 4.090 -3.018 7.061 1.00 0.00 O ATOM 282 CB LEU A 449 1.089 -2.434 7.492 1.00 0.00 C ATOM 283 CG LEU A 449 -0.134 -1.517 7.445 1.00 0.00 C ATOM 284 CD1 LEU A 449 -1.305 -2.223 6.779 1.00 0.00 C ATOM 285 CD2 LEU A 449 -0.512 -1.060 8.846 1.00 0.00 C ATOM 0 H LEU A 449 2.740 -0.570 6.625 1.00 0.00 H new ATOM 0 HA LEU A 449 2.078 -1.728 9.264 1.00 0.00 H new ATOM 0 HB2 LEU A 449 1.372 -2.681 6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 449 0.801 -3.367 7.977 1.00 0.00 H new ATOM 0 HG LEU A 449 0.118 -0.637 6.853 1.00 0.00 H new ATOM 0 HD11 LEU A 449 -2.166 -1.555 6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 449 -1.032 -2.500 5.761 1.00 0.00 H new ATOM 0 HD13 LEU A 449 -1.558 -3.120 7.344 1.00 0.00 H new ATOM 0 HD21 LEU A 449 -1.384 -0.408 8.793 1.00 0.00 H new ATOM 0 HD22 LEU A 449 -0.745 -1.929 9.462 1.00 0.00 H new ATOM 0 HD23 LEU A 449 0.322 -0.515 9.288 1.00 0.00 H new ATOM 297 N ARG A 450 3.753 -3.551 9.222 1.00 0.00 N ATOM 298 CA ARG A 450 4.831 -4.531 9.262 1.00 0.00 C ATOM 299 C ARG A 450 4.331 -5.868 9.802 1.00 0.00 C ATOM 300 O ARG A 450 3.536 -5.910 10.740 1.00 0.00 O ATOM 301 CB ARG A 450 5.984 -4.018 10.127 1.00 0.00 C ATOM 302 CG ARG A 450 6.618 -2.741 9.601 1.00 0.00 C ATOM 303 CD ARG A 450 7.646 -2.187 10.576 1.00 0.00 C ATOM 304 NE ARG A 450 8.917 -2.901 10.495 1.00 0.00 N ATOM 305 CZ ARG A 450 9.168 -4.031 11.147 1.00 0.00 C ATOM 306 NH1 ARG A 450 8.240 -4.572 11.924 1.00 0.00 N ATOM 307 NH2 ARG A 450 10.350 -4.622 11.022 1.00 0.00 N ATOM 0 H ARG A 450 3.249 -3.442 10.102 1.00 0.00 H new ATOM 0 HA ARG A 450 5.189 -4.681 8.244 1.00 0.00 H new ATOM 0 HB2 ARG A 450 5.618 -3.842 11.138 1.00 0.00 H new ATOM 0 HB3 ARG A 450 6.748 -4.792 10.195 1.00 0.00 H new ATOM 0 HG2 ARG A 450 7.095 -2.939 8.641 1.00 0.00 H new ATOM 0 HG3 ARG A 450 5.843 -1.995 9.424 1.00 0.00 H new ATOM 0 HD2 ARG A 450 7.810 -1.130 10.368 1.00 0.00 H new ATOM 0 HD3 ARG A 450 7.256 -2.255 11.592 1.00 0.00 H new ATOM 0 HE ARG A 450 9.652 -2.511 9.906 1.00 0.00 H new ATOM 0 HH11 ARG A 450 7.331 -4.121 12.022 1.00 0.00 H new ATOM 0 HH12 ARG A 450 8.435 -5.440 12.423 1.00 0.00 H new ATOM 0 HH21 ARG A 450 11.066 -4.209 10.425 1.00 0.00 H new ATOM 0 HH22 ARG A 450 10.542 -5.490 11.523 1.00 0.00 H new ATOM 321 N ASN A 451 4.802 -6.956 9.203 1.00 0.00 N ATOM 322 CA ASN A 451 4.402 -8.294 9.624 1.00 0.00 C ATOM 323 C ASN A 451 2.977 -8.602 9.174 1.00 0.00 C ATOM 324 O ASN A 451 2.219 -9.261 9.886 1.00 0.00 O ATOM 325 CB ASN A 451 4.508 -8.426 11.145 1.00 0.00 C ATOM 326 CG ASN A 451 4.745 -9.858 11.586 1.00 0.00 C ATOM 327 OD1 ASN A 451 5.146 -10.706 10.789 1.00 0.00 O ATOM 328 ND2 ASN A 451 4.496 -10.133 12.861 1.00 0.00 N ATOM 0 H ASN A 451 5.461 -6.938 8.425 1.00 0.00 H new ATOM 0 HA ASN A 451 5.076 -9.012 9.156 1.00 0.00 H new ATOM 0 HB2 ASN A 451 5.323 -7.798 11.506 1.00 0.00 H new ATOM 0 HB3 ASN A 451 3.592 -8.054 11.604 1.00 0.00 H new ATOM 0 HD21 ASN A 451 4.636 -11.079 13.215 1.00 0.00 H new ATOM 0 HD22 ASN A 451 4.165 -9.398 13.486 1.00 0.00 H new ATOM 335 N MET A 452 2.620 -8.122 7.987 1.00 0.00 N ATOM 336 CA MET A 452 1.287 -8.348 7.441 1.00 0.00 C ATOM 337 C MET A 452 1.255 -9.615 6.592 1.00 0.00 C ATOM 338 O MET A 452 0.465 -10.524 6.846 1.00 0.00 O ATOM 339 CB MET A 452 0.846 -7.147 6.603 1.00 0.00 C ATOM 340 CG MET A 452 -0.649 -7.112 6.331 1.00 0.00 C ATOM 341 SD MET A 452 -1.176 -5.579 5.541 1.00 0.00 S ATOM 342 CE MET A 452 -2.267 -6.211 4.269 1.00 0.00 C ATOM 0 H MET A 452 3.235 -7.574 7.385 1.00 0.00 H new ATOM 0 HA MET A 452 0.596 -8.473 8.275 1.00 0.00 H new ATOM 0 HB2 MET A 452 1.135 -6.230 7.117 1.00 0.00 H new ATOM 0 HB3 MET A 452 1.380 -7.162 5.653 1.00 0.00 H new ATOM 0 HG2 MET A 452 -0.918 -7.955 5.695 1.00 0.00 H new ATOM 0 HG3 MET A 452 -1.188 -7.236 7.270 1.00 0.00 H new ATOM 0 HE1 MET A 452 -3.025 -5.463 4.035 1.00 0.00 H new ATOM 0 HE2 MET A 452 -1.689 -6.435 3.372 1.00 0.00 H new ATOM 0 HE3 MET A 452 -2.752 -7.120 4.624 1.00 0.00 H new ATOM 352 N VAL A 453 2.118 -9.667 5.582 1.00 0.00 N ATOM 353 CA VAL A 453 2.189 -10.823 4.696 1.00 0.00 C ATOM 354 C VAL A 453 3.612 -11.049 4.201 1.00 0.00 C ATOM 355 O VAL A 453 4.211 -10.172 3.577 1.00 0.00 O ATOM 356 CB VAL A 453 1.255 -10.657 3.482 1.00 0.00 C ATOM 357 CG1 VAL A 453 -0.201 -10.670 3.923 1.00 0.00 C ATOM 358 CG2 VAL A 453 1.581 -9.376 2.730 1.00 0.00 C ATOM 0 H VAL A 453 2.778 -8.922 5.357 1.00 0.00 H new ATOM 0 HA VAL A 453 1.868 -11.688 5.277 1.00 0.00 H new ATOM 0 HB VAL A 453 1.413 -11.498 2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -0.846 -10.552 3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -0.424 -11.617 4.414 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -0.378 -9.850 4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 453 0.912 -9.275 1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 453 1.453 -8.521 3.394 1.00 0.00 H new ATOM 0 HG23 VAL A 453 2.613 -9.412 2.380 1.00 0.00 H new ATOM 368 N ASP A 454 4.149 -12.231 4.481 1.00 0.00 N ATOM 369 CA ASP A 454 5.504 -12.575 4.063 1.00 0.00 C ATOM 370 C ASP A 454 5.717 -12.246 2.588 1.00 0.00 C ATOM 371 O ASP A 454 4.768 -12.087 1.819 1.00 0.00 O ATOM 372 CB ASP A 454 5.776 -14.059 4.312 1.00 0.00 C ATOM 373 CG ASP A 454 6.352 -14.319 5.690 1.00 0.00 C ATOM 374 OD1 ASP A 454 5.579 -14.297 6.670 1.00 0.00 O ATOM 375 OD2 ASP A 454 7.576 -14.544 5.788 1.00 0.00 O ATOM 0 H ASP A 454 3.667 -12.968 4.996 1.00 0.00 H new ATOM 0 HA ASP A 454 6.202 -11.982 4.654 1.00 0.00 H new ATOM 0 HB2 ASP A 454 4.848 -14.620 4.198 1.00 0.00 H new ATOM 0 HB3 ASP A 454 6.468 -14.430 3.556 1.00 0.00 H new ATOM 380 N PRO A 455 6.991 -12.140 2.183 1.00 0.00 N ATOM 381 CA PRO A 455 7.358 -11.829 0.799 1.00 0.00 C ATOM 382 C PRO A 455 7.047 -12.977 -0.156 1.00 0.00 C ATOM 383 O PRO A 455 7.324 -12.895 -1.352 1.00 0.00 O ATOM 384 CB PRO A 455 8.869 -11.593 0.877 1.00 0.00 C ATOM 385 CG PRO A 455 9.312 -12.370 2.068 1.00 0.00 C ATOM 386 CD PRO A 455 8.171 -12.317 3.046 1.00 0.00 C ATOM 0 HA PRO A 455 6.799 -10.978 0.411 1.00 0.00 H new ATOM 0 HB2 PRO A 455 9.371 -11.935 -0.028 1.00 0.00 H new ATOM 0 HB3 PRO A 455 9.099 -10.533 0.987 1.00 0.00 H new ATOM 0 HG2 PRO A 455 9.546 -13.400 1.797 1.00 0.00 H new ATOM 0 HG3 PRO A 455 10.216 -11.941 2.500 1.00 0.00 H new ATOM 0 HD2 PRO A 455 8.104 -13.231 3.636 1.00 0.00 H new ATOM 0 HD3 PRO A 455 8.282 -11.492 3.749 1.00 0.00 H new ATOM 394 N LYS A 456 6.470 -14.046 0.381 1.00 0.00 N ATOM 395 CA LYS A 456 6.119 -15.211 -0.422 1.00 0.00 C ATOM 396 C LYS A 456 4.711 -15.075 -0.992 1.00 0.00 C ATOM 397 O LYS A 456 4.411 -15.602 -2.064 1.00 0.00 O ATOM 398 CB LYS A 456 6.219 -16.486 0.419 1.00 0.00 C ATOM 399 CG LYS A 456 5.262 -16.513 1.597 1.00 0.00 C ATOM 400 CD LYS A 456 5.186 -17.896 2.222 1.00 0.00 C ATOM 401 CE LYS A 456 6.375 -18.162 3.134 1.00 0.00 C ATOM 402 NZ LYS A 456 6.300 -17.364 4.389 1.00 0.00 N ATOM 0 H LYS A 456 6.235 -14.130 1.370 1.00 0.00 H new ATOM 0 HA LYS A 456 6.823 -15.274 -1.251 1.00 0.00 H new ATOM 0 HB2 LYS A 456 6.022 -17.348 -0.218 1.00 0.00 H new ATOM 0 HB3 LYS A 456 7.239 -16.589 0.788 1.00 0.00 H new ATOM 0 HG2 LYS A 456 5.586 -15.791 2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 456 4.269 -16.207 1.268 1.00 0.00 H new ATOM 0 HD2 LYS A 456 4.261 -17.989 2.792 1.00 0.00 H new ATOM 0 HD3 LYS A 456 5.153 -18.650 1.436 1.00 0.00 H new ATOM 0 HE2 LYS A 456 6.414 -19.223 3.380 1.00 0.00 H new ATOM 0 HE3 LYS A 456 7.298 -17.923 2.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 7.158 -16.783 4.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 5.465 -16.745 4.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 6.225 -18.005 5.204 1.00 0.00 H new ATOM 416 N ASP A 457 3.852 -14.365 -0.270 1.00 0.00 N ATOM 417 CA ASP A 457 2.475 -14.157 -0.706 1.00 0.00 C ATOM 418 C ASP A 457 2.348 -12.866 -1.509 1.00 0.00 C ATOM 419 O ASP A 457 1.247 -12.354 -1.709 1.00 0.00 O ATOM 420 CB ASP A 457 1.537 -14.116 0.501 1.00 0.00 C ATOM 421 CG ASP A 457 0.093 -14.376 0.121 1.00 0.00 C ATOM 422 OD1 ASP A 457 -0.145 -15.239 -0.749 1.00 0.00 O ATOM 423 OD2 ASP A 457 -0.800 -13.715 0.692 1.00 0.00 O ATOM 0 H ASP A 457 4.084 -13.923 0.620 1.00 0.00 H new ATOM 0 HA ASP A 457 2.193 -14.992 -1.348 1.00 0.00 H new ATOM 0 HB2 ASP A 457 1.857 -14.859 1.231 1.00 0.00 H new ATOM 0 HB3 ASP A 457 1.613 -13.142 0.983 1.00 0.00 H new ATOM 428 N ILE A 458 3.482 -12.346 -1.966 1.00 0.00 N ATOM 429 CA ILE A 458 3.497 -11.115 -2.747 1.00 0.00 C ATOM 430 C ILE A 458 2.941 -11.347 -4.148 1.00 0.00 C ATOM 431 O ILE A 458 3.636 -11.855 -5.027 1.00 0.00 O ATOM 432 CB ILE A 458 4.921 -10.539 -2.861 1.00 0.00 C ATOM 433 CG1 ILE A 458 5.490 -10.249 -1.471 1.00 0.00 C ATOM 434 CG2 ILE A 458 4.914 -9.276 -3.710 1.00 0.00 C ATOM 435 CD1 ILE A 458 4.860 -9.050 -0.798 1.00 0.00 C ATOM 0 H ILE A 458 4.402 -12.758 -1.809 1.00 0.00 H new ATOM 0 HA ILE A 458 2.865 -10.399 -2.221 1.00 0.00 H new ATOM 0 HB ILE A 458 5.558 -11.278 -3.347 1.00 0.00 H new ATOM 0 HG12 ILE A 458 5.349 -11.126 -0.839 1.00 0.00 H new ATOM 0 HG13 ILE A 458 6.565 -10.086 -1.554 1.00 0.00 H new ATOM 0 HG21 ILE A 458 5.927 -8.880 -3.782 1.00 0.00 H new ATOM 0 HG22 ILE A 458 4.545 -9.511 -4.708 1.00 0.00 H new ATOM 0 HG23 ILE A 458 4.265 -8.531 -3.249 1.00 0.00 H new ATOM 0 HD11 ILE A 458 5.312 -8.904 0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 458 5.024 -8.162 -1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 458 3.789 -9.218 -0.683 1.00 0.00 H new ATOM 447 N ASP A 459 1.683 -10.969 -4.348 1.00 0.00 N ATOM 448 CA ASP A 459 1.033 -11.132 -5.644 1.00 0.00 C ATOM 449 C ASP A 459 0.446 -9.809 -6.128 1.00 0.00 C ATOM 450 O ASP A 459 0.366 -8.841 -5.372 1.00 0.00 O ATOM 451 CB ASP A 459 -0.067 -12.191 -5.556 1.00 0.00 C ATOM 452 CG ASP A 459 -0.820 -12.352 -6.862 1.00 0.00 C ATOM 453 OD1 ASP A 459 -0.175 -12.666 -7.884 1.00 0.00 O ATOM 454 OD2 ASP A 459 -2.055 -12.163 -6.862 1.00 0.00 O ATOM 0 H ASP A 459 1.093 -10.548 -3.630 1.00 0.00 H new ATOM 0 HA ASP A 459 1.785 -11.459 -6.362 1.00 0.00 H new ATOM 0 HB2 ASP A 459 0.374 -13.147 -5.274 1.00 0.00 H new ATOM 0 HB3 ASP A 459 -0.768 -11.918 -4.767 1.00 0.00 H new ATOM 459 N ASP A 460 0.039 -9.776 -7.391 1.00 0.00 N ATOM 460 CA ASP A 460 -0.541 -8.573 -7.977 1.00 0.00 C ATOM 461 C ASP A 460 -1.874 -8.235 -7.316 1.00 0.00 C ATOM 462 O ASP A 460 -2.176 -7.068 -7.067 1.00 0.00 O ATOM 463 CB ASP A 460 -0.735 -8.755 -9.483 1.00 0.00 C ATOM 464 CG ASP A 460 0.577 -8.737 -10.242 1.00 0.00 C ATOM 465 OD1 ASP A 460 1.188 -7.653 -10.347 1.00 0.00 O ATOM 466 OD2 ASP A 460 0.993 -9.808 -10.731 1.00 0.00 O ATOM 0 H ASP A 460 0.100 -10.569 -8.030 1.00 0.00 H new ATOM 0 HA ASP A 460 0.149 -7.747 -7.806 1.00 0.00 H new ATOM 0 HB2 ASP A 460 -1.246 -9.700 -9.669 1.00 0.00 H new ATOM 0 HB3 ASP A 460 -1.381 -7.963 -9.861 1.00 0.00 H new ATOM 471 N ASP A 461 -2.667 -9.264 -7.037 1.00 0.00 N ATOM 472 CA ASP A 461 -3.968 -9.077 -6.406 1.00 0.00 C ATOM 473 C ASP A 461 -3.816 -8.452 -5.022 1.00 0.00 C ATOM 474 O ASP A 461 -4.566 -7.548 -4.652 1.00 0.00 O ATOM 475 CB ASP A 461 -4.703 -10.413 -6.297 1.00 0.00 C ATOM 476 CG ASP A 461 -5.265 -10.874 -7.628 1.00 0.00 C ATOM 477 OD1 ASP A 461 -4.544 -10.778 -8.642 1.00 0.00 O ATOM 478 OD2 ASP A 461 -6.428 -11.331 -7.655 1.00 0.00 O ATOM 0 H ASP A 461 -2.431 -10.236 -7.238 1.00 0.00 H new ATOM 0 HA ASP A 461 -4.552 -8.400 -7.029 1.00 0.00 H new ATOM 0 HB2 ASP A 461 -4.020 -11.170 -5.912 1.00 0.00 H new ATOM 0 HB3 ASP A 461 -5.515 -10.320 -5.576 1.00 0.00 H new ATOM 483 N LEU A 462 -2.842 -8.941 -4.262 1.00 0.00 N ATOM 484 CA LEU A 462 -2.592 -8.432 -2.918 1.00 0.00 C ATOM 485 C LEU A 462 -2.813 -6.923 -2.857 1.00 0.00 C ATOM 486 O LEU A 462 -3.686 -6.444 -2.135 1.00 0.00 O ATOM 487 CB LEU A 462 -1.165 -8.767 -2.482 1.00 0.00 C ATOM 488 CG LEU A 462 -0.837 -8.517 -1.009 1.00 0.00 C ATOM 489 CD1 LEU A 462 -1.631 -9.458 -0.118 1.00 0.00 C ATOM 490 CD2 LEU A 462 0.656 -8.677 -0.761 1.00 0.00 C ATOM 0 H LEU A 462 -2.213 -9.689 -4.553 1.00 0.00 H new ATOM 0 HA LEU A 462 -3.296 -8.912 -2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 462 -0.976 -9.818 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 462 -0.474 -8.184 -3.091 1.00 0.00 H new ATOM 0 HG LEU A 462 -1.119 -7.493 -0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 462 -1.384 -9.265 0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 462 -2.697 -9.295 -0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 462 -1.382 -10.490 -0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 462 0.871 -8.496 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 462 0.962 -9.689 -1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 462 1.205 -7.961 -1.372 1.00 0.00 H new ATOM 502 N GLU A 463 -2.017 -6.183 -3.622 1.00 0.00 N ATOM 503 CA GLU A 463 -2.127 -4.729 -3.655 1.00 0.00 C ATOM 504 C GLU A 463 -3.581 -4.290 -3.505 1.00 0.00 C ATOM 505 O GLU A 463 -3.926 -3.552 -2.583 1.00 0.00 O ATOM 506 CB GLU A 463 -1.550 -4.181 -4.963 1.00 0.00 C ATOM 507 CG GLU A 463 -1.601 -2.666 -5.063 1.00 0.00 C ATOM 508 CD GLU A 463 -2.945 -2.158 -5.548 1.00 0.00 C ATOM 509 OE1 GLU A 463 -3.577 -2.850 -6.374 1.00 0.00 O ATOM 510 OE2 GLU A 463 -3.365 -1.070 -5.102 1.00 0.00 O ATOM 0 H GLU A 463 -1.290 -6.565 -4.226 1.00 0.00 H new ATOM 0 HA GLU A 463 -1.556 -4.328 -2.818 1.00 0.00 H new ATOM 0 HB2 GLU A 463 -0.515 -4.508 -5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 463 -2.099 -4.611 -5.801 1.00 0.00 H new ATOM 0 HG2 GLU A 463 -1.384 -2.234 -4.086 1.00 0.00 H new ATOM 0 HG3 GLU A 463 -0.821 -2.324 -5.743 1.00 0.00 H new ATOM 517 N GLY A 464 -4.430 -4.750 -4.420 1.00 0.00 N ATOM 518 CA GLY A 464 -5.836 -4.395 -4.372 1.00 0.00 C ATOM 519 C GLY A 464 -6.473 -4.727 -3.037 1.00 0.00 C ATOM 520 O GLY A 464 -7.200 -3.912 -2.470 1.00 0.00 O ATOM 0 H GLY A 464 -4.169 -5.362 -5.193 1.00 0.00 H new ATOM 0 HA2 GLY A 464 -5.945 -3.328 -4.568 1.00 0.00 H new ATOM 0 HA3 GLY A 464 -6.367 -4.921 -5.165 1.00 0.00 H new ATOM 524 N GLU A 465 -6.201 -5.927 -2.535 1.00 0.00 N ATOM 525 CA GLU A 465 -6.756 -6.365 -1.259 1.00 0.00 C ATOM 526 C GLU A 465 -6.456 -5.351 -0.159 1.00 0.00 C ATOM 527 O GLU A 465 -7.333 -4.994 0.628 1.00 0.00 O ATOM 528 CB GLU A 465 -6.190 -7.733 -0.875 1.00 0.00 C ATOM 529 CG GLU A 465 -6.532 -8.834 -1.865 1.00 0.00 C ATOM 530 CD GLU A 465 -7.836 -9.533 -1.533 1.00 0.00 C ATOM 531 OE1 GLU A 465 -8.227 -9.528 -0.348 1.00 0.00 O ATOM 532 OE2 GLU A 465 -8.465 -10.085 -2.460 1.00 0.00 O ATOM 0 H GLU A 465 -5.600 -6.613 -2.992 1.00 0.00 H new ATOM 0 HA GLU A 465 -7.837 -6.445 -1.370 1.00 0.00 H new ATOM 0 HB2 GLU A 465 -5.106 -7.657 -0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 465 -6.569 -8.010 0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 465 -6.597 -8.409 -2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 465 -5.725 -9.567 -1.881 1.00 0.00 H new ATOM 539 N VAL A 466 -5.210 -4.890 -0.111 1.00 0.00 N ATOM 540 CA VAL A 466 -4.793 -3.916 0.891 1.00 0.00 C ATOM 541 C VAL A 466 -5.511 -2.586 0.697 1.00 0.00 C ATOM 542 O VAL A 466 -5.982 -1.975 1.657 1.00 0.00 O ATOM 543 CB VAL A 466 -3.272 -3.678 0.844 1.00 0.00 C ATOM 544 CG1 VAL A 466 -2.854 -2.680 1.913 1.00 0.00 C ATOM 545 CG2 VAL A 466 -2.522 -4.992 1.007 1.00 0.00 C ATOM 0 H VAL A 466 -4.472 -5.175 -0.754 1.00 0.00 H new ATOM 0 HA VAL A 466 -5.058 -4.330 1.864 1.00 0.00 H new ATOM 0 HB VAL A 466 -3.017 -3.259 -0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -1.776 -2.525 1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -3.365 -1.732 1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -3.121 -3.067 2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -1.449 -4.805 0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -2.780 -5.442 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -2.799 -5.671 0.201 1.00 0.00 H new ATOM 555 N THR A 467 -5.592 -2.140 -0.553 1.00 0.00 N ATOM 556 CA THR A 467 -6.252 -0.881 -0.874 1.00 0.00 C ATOM 557 C THR A 467 -7.698 -0.879 -0.391 1.00 0.00 C ATOM 558 O THR A 467 -8.122 0.031 0.321 1.00 0.00 O ATOM 559 CB THR A 467 -6.229 -0.605 -2.389 1.00 0.00 C ATOM 560 OG1 THR A 467 -4.878 -0.577 -2.862 1.00 0.00 O ATOM 561 CG2 THR A 467 -6.911 0.716 -2.709 1.00 0.00 C ATOM 0 H THR A 467 -5.208 -2.633 -1.360 1.00 0.00 H new ATOM 0 HA THR A 467 -5.699 -0.095 -0.360 1.00 0.00 H new ATOM 0 HB THR A 467 -6.772 -1.407 -2.890 1.00 0.00 H new ATOM 0 HG1 THR A 467 -4.855 -0.848 -3.804 1.00 0.00 H new ATOM 0 HG21 THR A 467 -6.882 0.889 -3.785 1.00 0.00 H new ATOM 0 HG22 THR A 467 -7.948 0.680 -2.375 1.00 0.00 H new ATOM 0 HG23 THR A 467 -6.392 1.527 -2.197 1.00 0.00 H new ATOM 569 N GLU A 468 -8.449 -1.904 -0.781 1.00 0.00 N ATOM 570 CA GLU A 468 -9.848 -2.019 -0.386 1.00 0.00 C ATOM 571 C GLU A 468 -9.985 -2.033 1.134 1.00 0.00 C ATOM 572 O GLU A 468 -10.548 -1.112 1.725 1.00 0.00 O ATOM 573 CB GLU A 468 -10.465 -3.289 -0.976 1.00 0.00 C ATOM 574 CG GLU A 468 -10.431 -3.333 -2.494 1.00 0.00 C ATOM 575 CD GLU A 468 -11.609 -2.616 -3.125 1.00 0.00 C ATOM 576 OE1 GLU A 468 -12.133 -1.672 -2.497 1.00 0.00 O ATOM 577 OE2 GLU A 468 -12.005 -2.997 -4.246 1.00 0.00 O ATOM 0 H GLU A 468 -8.113 -2.666 -1.370 1.00 0.00 H new ATOM 0 HA GLU A 468 -10.381 -1.151 -0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 468 -9.935 -4.157 -0.584 1.00 0.00 H new ATOM 0 HB3 GLU A 468 -11.499 -3.370 -0.642 1.00 0.00 H new ATOM 0 HG2 GLU A 468 -9.504 -2.880 -2.846 1.00 0.00 H new ATOM 0 HG3 GLU A 468 -10.424 -4.372 -2.824 1.00 0.00 H new ATOM 584 N GLU A 469 -9.466 -3.085 1.760 1.00 0.00 N ATOM 585 CA GLU A 469 -9.532 -3.219 3.210 1.00 0.00 C ATOM 586 C GLU A 469 -9.285 -1.877 3.893 1.00 0.00 C ATOM 587 O GLU A 469 -10.019 -1.486 4.801 1.00 0.00 O ATOM 588 CB GLU A 469 -8.507 -4.246 3.696 1.00 0.00 C ATOM 589 CG GLU A 469 -8.801 -4.789 5.085 1.00 0.00 C ATOM 590 CD GLU A 469 -7.751 -5.773 5.561 1.00 0.00 C ATOM 591 OE1 GLU A 469 -6.610 -5.341 5.829 1.00 0.00 O ATOM 592 OE2 GLU A 469 -8.070 -6.976 5.666 1.00 0.00 O ATOM 0 H GLU A 469 -8.996 -3.856 1.286 1.00 0.00 H new ATOM 0 HA GLU A 469 -10.533 -3.562 3.472 1.00 0.00 H new ATOM 0 HB2 GLU A 469 -8.474 -5.076 2.990 1.00 0.00 H new ATOM 0 HB3 GLU A 469 -7.518 -3.788 3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 469 -8.862 -3.960 5.790 1.00 0.00 H new ATOM 0 HG3 GLU A 469 -9.776 -5.277 5.081 1.00 0.00 H new ATOM 599 N CYS A 470 -8.248 -1.176 3.449 1.00 0.00 N ATOM 600 CA CYS A 470 -7.903 0.123 4.017 1.00 0.00 C ATOM 601 C CYS A 470 -9.063 1.103 3.876 1.00 0.00 C ATOM 602 O CYS A 470 -9.319 1.910 4.769 1.00 0.00 O ATOM 603 CB CYS A 470 -6.656 0.687 3.334 1.00 0.00 C ATOM 604 SG CYS A 470 -5.129 -0.189 3.745 1.00 0.00 S ATOM 0 H CYS A 470 -7.631 -1.485 2.698 1.00 0.00 H new ATOM 0 HA CYS A 470 -7.695 -0.015 5.078 1.00 0.00 H new ATOM 0 HB2 CYS A 470 -6.801 0.656 2.254 1.00 0.00 H new ATOM 0 HB3 CYS A 470 -6.546 1.736 3.611 1.00 0.00 H new ATOM 0 HG CYS A 470 -5.020 -1.246 2.997 1.00 0.00 H new ATOM 610 N GLY A 471 -9.761 1.028 2.747 1.00 0.00 N ATOM 611 CA GLY A 471 -10.884 1.916 2.509 1.00 0.00 C ATOM 612 C GLY A 471 -11.725 2.133 3.752 1.00 0.00 C ATOM 613 O GLY A 471 -12.088 3.264 4.075 1.00 0.00 O ATOM 0 H GLY A 471 -9.569 0.368 1.993 1.00 0.00 H new ATOM 0 HA2 GLY A 471 -10.514 2.877 2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 471 -11.510 1.502 1.718 1.00 0.00 H new ATOM 617 N LYS A 472 -12.036 1.047 4.450 1.00 0.00 N ATOM 618 CA LYS A 472 -12.840 1.122 5.664 1.00 0.00 C ATOM 619 C LYS A 472 -12.467 2.350 6.489 1.00 0.00 C ATOM 620 O LYS A 472 -13.322 3.171 6.821 1.00 0.00 O ATOM 621 CB LYS A 472 -12.655 -0.144 6.503 1.00 0.00 C ATOM 622 CG LYS A 472 -13.579 -1.281 6.101 1.00 0.00 C ATOM 623 CD LYS A 472 -13.064 -2.010 4.871 1.00 0.00 C ATOM 624 CE LYS A 472 -13.911 -3.232 4.553 1.00 0.00 C ATOM 625 NZ LYS A 472 -13.297 -4.070 3.486 1.00 0.00 N ATOM 0 H LYS A 472 -11.743 0.103 4.196 1.00 0.00 H new ATOM 0 HA LYS A 472 -13.887 1.206 5.371 1.00 0.00 H new ATOM 0 HB2 LYS A 472 -11.621 -0.479 6.417 1.00 0.00 H new ATOM 0 HB3 LYS A 472 -12.825 0.098 7.552 1.00 0.00 H new ATOM 0 HG2 LYS A 472 -13.674 -1.984 6.929 1.00 0.00 H new ATOM 0 HG3 LYS A 472 -14.576 -0.888 5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 472 -13.066 -1.332 4.017 1.00 0.00 H new ATOM 0 HD3 LYS A 472 -12.030 -2.315 5.033 1.00 0.00 H new ATOM 0 HE2 LYS A 472 -14.039 -3.830 5.455 1.00 0.00 H new ATOM 0 HE3 LYS A 472 -14.905 -2.913 4.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 472 -13.977 -4.794 3.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 472 -13.042 -3.469 2.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 472 -12.442 -4.533 3.857 1.00 0.00 H new ATOM 639 N PHE A 473 -11.184 2.470 6.815 1.00 0.00 N ATOM 640 CA PHE A 473 -10.697 3.599 7.600 1.00 0.00 C ATOM 641 C PHE A 473 -11.147 4.922 6.987 1.00 0.00 C ATOM 642 O PHE A 473 -11.780 5.742 7.650 1.00 0.00 O ATOM 643 CB PHE A 473 -9.171 3.560 7.696 1.00 0.00 C ATOM 644 CG PHE A 473 -8.635 2.254 8.208 1.00 0.00 C ATOM 645 CD1 PHE A 473 -8.829 1.879 9.528 1.00 0.00 C ATOM 646 CD2 PHE A 473 -7.937 1.400 7.369 1.00 0.00 C ATOM 647 CE1 PHE A 473 -8.338 0.678 10.002 1.00 0.00 C ATOM 648 CE2 PHE A 473 -7.443 0.197 7.837 1.00 0.00 C ATOM 649 CZ PHE A 473 -7.643 -0.164 9.156 1.00 0.00 C ATOM 0 H PHE A 473 -10.463 1.800 6.548 1.00 0.00 H new ATOM 0 HA PHE A 473 -11.119 3.522 8.602 1.00 0.00 H new ATOM 0 HB2 PHE A 473 -8.748 3.756 6.711 1.00 0.00 H new ATOM 0 HB3 PHE A 473 -8.836 4.363 8.352 1.00 0.00 H new ATOM 0 HD1 PHE A 473 -9.371 2.534 10.194 1.00 0.00 H new ATOM 0 HD2 PHE A 473 -7.777 1.678 6.338 1.00 0.00 H new ATOM 0 HE1 PHE A 473 -8.497 0.398 11.033 1.00 0.00 H new ATOM 0 HE2 PHE A 473 -6.901 -0.460 7.173 1.00 0.00 H new ATOM 0 HZ PHE A 473 -7.257 -1.103 9.525 1.00 0.00 H new ATOM 659 N GLY A 474 -10.813 5.122 5.716 1.00 0.00 N ATOM 660 CA GLY A 474 -11.189 6.347 5.034 1.00 0.00 C ATOM 661 C GLY A 474 -10.863 6.311 3.555 1.00 0.00 C ATOM 662 O GLY A 474 -11.106 5.309 2.883 1.00 0.00 O ATOM 0 H GLY A 474 -10.289 4.458 5.146 1.00 0.00 H new ATOM 0 HA2 GLY A 474 -12.258 6.518 5.163 1.00 0.00 H new ATOM 0 HA3 GLY A 474 -10.674 7.189 5.496 1.00 0.00 H new ATOM 666 N ALA A 475 -10.312 7.407 3.045 1.00 0.00 N ATOM 667 CA ALA A 475 -9.951 7.497 1.635 1.00 0.00 C ATOM 668 C ALA A 475 -8.464 7.231 1.431 1.00 0.00 C ATOM 669 O ALA A 475 -7.619 8.035 1.826 1.00 0.00 O ATOM 670 CB ALA A 475 -10.326 8.863 1.080 1.00 0.00 C ATOM 0 H ALA A 475 -10.106 8.246 3.587 1.00 0.00 H new ATOM 0 HA ALA A 475 -10.508 6.732 1.094 1.00 0.00 H new ATOM 0 HB1 ALA A 475 -10.051 8.916 0.027 1.00 0.00 H new ATOM 0 HB2 ALA A 475 -11.401 9.015 1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 475 -9.796 9.638 1.633 1.00 0.00 H new ATOM 676 N VAL A 476 -8.149 6.097 0.812 1.00 0.00 N ATOM 677 CA VAL A 476 -6.763 5.725 0.556 1.00 0.00 C ATOM 678 C VAL A 476 -6.185 6.527 -0.605 1.00 0.00 C ATOM 679 O VAL A 476 -6.785 6.608 -1.676 1.00 0.00 O ATOM 680 CB VAL A 476 -6.634 4.222 0.242 1.00 0.00 C ATOM 681 CG1 VAL A 476 -5.189 3.864 -0.069 1.00 0.00 C ATOM 682 CG2 VAL A 476 -7.162 3.389 1.400 1.00 0.00 C ATOM 0 H VAL A 476 -8.836 5.420 0.479 1.00 0.00 H new ATOM 0 HA VAL A 476 -6.202 5.948 1.464 1.00 0.00 H new ATOM 0 HB VAL A 476 -7.236 3.999 -0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.117 2.799 -0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -4.850 4.436 -0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -4.562 4.100 0.791 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -7.063 2.330 1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -6.589 3.613 2.300 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -8.212 3.626 1.570 1.00 0.00 H new ATOM 692 N ASN A 477 -5.016 7.118 -0.384 1.00 0.00 N ATOM 693 CA ASN A 477 -4.356 7.914 -1.412 1.00 0.00 C ATOM 694 C ASN A 477 -3.520 7.030 -2.333 1.00 0.00 C ATOM 695 O ASN A 477 -3.628 7.113 -3.556 1.00 0.00 O ATOM 696 CB ASN A 477 -3.468 8.982 -0.769 1.00 0.00 C ATOM 697 CG ASN A 477 -4.212 10.281 -0.524 1.00 0.00 C ATOM 698 OD1 ASN A 477 -5.438 10.335 -0.620 1.00 0.00 O ATOM 699 ND2 ASN A 477 -3.470 11.336 -0.207 1.00 0.00 N ATOM 0 H ASN A 477 -4.506 7.061 0.498 1.00 0.00 H new ATOM 0 HA ASN A 477 -5.127 8.402 -2.008 1.00 0.00 H new ATOM 0 HB2 ASN A 477 -3.078 8.606 0.177 1.00 0.00 H new ATOM 0 HB3 ASN A 477 -2.610 9.174 -1.413 1.00 0.00 H new ATOM 0 HD21 ASN A 477 -3.914 12.238 -0.032 1.00 0.00 H new ATOM 0 HD22 ASN A 477 -2.456 11.245 -0.139 1.00 0.00 H new ATOM 706 N ARG A 478 -2.688 6.183 -1.735 1.00 0.00 N ATOM 707 CA ARG A 478 -1.833 5.284 -2.501 1.00 0.00 C ATOM 708 C ARG A 478 -1.198 4.234 -1.593 1.00 0.00 C ATOM 709 O ARG A 478 -1.248 4.345 -0.368 1.00 0.00 O ATOM 710 CB ARG A 478 -0.743 6.075 -3.225 1.00 0.00 C ATOM 711 CG ARG A 478 0.190 6.825 -2.288 1.00 0.00 C ATOM 712 CD ARG A 478 1.335 7.478 -3.046 1.00 0.00 C ATOM 713 NE ARG A 478 1.928 6.574 -4.028 1.00 0.00 N ATOM 714 CZ ARG A 478 1.462 6.421 -5.262 1.00 0.00 C ATOM 715 NH1 ARG A 478 0.402 7.109 -5.664 1.00 0.00 N ATOM 716 NH2 ARG A 478 2.056 5.578 -6.097 1.00 0.00 N ATOM 0 H ARG A 478 -2.588 6.101 -0.723 1.00 0.00 H new ATOM 0 HA ARG A 478 -2.452 4.775 -3.239 1.00 0.00 H new ATOM 0 HB2 ARG A 478 -0.156 5.391 -3.838 1.00 0.00 H new ATOM 0 HB3 ARG A 478 -1.213 6.787 -3.903 1.00 0.00 H new ATOM 0 HG2 ARG A 478 -0.371 7.587 -1.747 1.00 0.00 H new ATOM 0 HG3 ARG A 478 0.591 6.136 -1.544 1.00 0.00 H new ATOM 0 HD2 ARG A 478 0.972 8.373 -3.551 1.00 0.00 H new ATOM 0 HD3 ARG A 478 2.101 7.799 -2.340 1.00 0.00 H new ATOM 0 HE ARG A 478 2.745 6.030 -3.751 1.00 0.00 H new ATOM 0 HH11 ARG A 478 -0.057 7.758 -5.025 1.00 0.00 H new ATOM 0 HH12 ARG A 478 0.046 6.990 -6.612 1.00 0.00 H new ATOM 0 HH21 ARG A 478 2.871 5.047 -5.791 1.00 0.00 H new ATOM 0 HH22 ARG A 478 1.697 5.461 -7.045 1.00 0.00 H new ATOM 730 N VAL A 479 -0.599 3.216 -2.203 1.00 0.00 N ATOM 731 CA VAL A 479 0.047 2.147 -1.451 1.00 0.00 C ATOM 732 C VAL A 479 1.327 1.687 -2.140 1.00 0.00 C ATOM 733 O VAL A 479 1.412 1.672 -3.368 1.00 0.00 O ATOM 734 CB VAL A 479 -0.891 0.938 -1.276 1.00 0.00 C ATOM 735 CG1 VAL A 479 -0.150 -0.225 -0.634 1.00 0.00 C ATOM 736 CG2 VAL A 479 -2.109 1.325 -0.450 1.00 0.00 C ATOM 0 H VAL A 479 -0.548 3.109 -3.216 1.00 0.00 H new ATOM 0 HA VAL A 479 0.291 2.553 -0.469 1.00 0.00 H new ATOM 0 HB VAL A 479 -1.233 0.620 -2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 479 -0.829 -1.070 -0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 479 0.688 -0.517 -1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 479 0.223 0.077 0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 479 -2.761 0.459 -0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 479 -1.788 1.669 0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 479 -2.652 2.124 -0.955 1.00 0.00 H new ATOM 746 N ILE A 480 2.320 1.312 -1.340 1.00 0.00 N ATOM 747 CA ILE A 480 3.596 0.850 -1.873 1.00 0.00 C ATOM 748 C ILE A 480 4.142 -0.316 -1.056 1.00 0.00 C ATOM 749 O ILE A 480 4.122 -0.288 0.175 1.00 0.00 O ATOM 750 CB ILE A 480 4.640 1.982 -1.893 1.00 0.00 C ATOM 751 CG1 ILE A 480 4.196 3.097 -2.842 1.00 0.00 C ATOM 752 CG2 ILE A 480 6.001 1.439 -2.305 1.00 0.00 C ATOM 753 CD1 ILE A 480 4.928 4.403 -2.622 1.00 0.00 C ATOM 0 H ILE A 480 2.266 1.319 -0.321 1.00 0.00 H new ATOM 0 HA ILE A 480 3.411 0.520 -2.895 1.00 0.00 H new ATOM 0 HB ILE A 480 4.725 2.397 -0.889 1.00 0.00 H new ATOM 0 HG12 ILE A 480 4.351 2.771 -3.871 1.00 0.00 H new ATOM 0 HG13 ILE A 480 3.126 3.264 -2.719 1.00 0.00 H new ATOM 0 HG21 ILE A 480 6.729 2.250 -2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 480 6.318 0.675 -1.595 1.00 0.00 H new ATOM 0 HG23 ILE A 480 5.932 1.002 -3.301 1.00 0.00 H new ATOM 0 HD11 ILE A 480 4.563 5.148 -3.329 1.00 0.00 H new ATOM 0 HD12 ILE A 480 4.752 4.752 -1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 480 5.997 4.251 -2.774 1.00 0.00 H new ATOM 765 N ILE A 481 4.631 -1.339 -1.749 1.00 0.00 N ATOM 766 CA ILE A 481 5.186 -2.513 -1.088 1.00 0.00 C ATOM 767 C ILE A 481 6.697 -2.590 -1.280 1.00 0.00 C ATOM 768 O ILE A 481 7.180 -2.885 -2.373 1.00 0.00 O ATOM 769 CB ILE A 481 4.547 -3.811 -1.616 1.00 0.00 C ATOM 770 CG1 ILE A 481 3.032 -3.783 -1.403 1.00 0.00 C ATOM 771 CG2 ILE A 481 5.161 -5.022 -0.929 1.00 0.00 C ATOM 772 CD1 ILE A 481 2.283 -4.784 -2.254 1.00 0.00 C ATOM 0 H ILE A 481 4.654 -1.378 -2.768 1.00 0.00 H new ATOM 0 HA ILE A 481 4.962 -2.412 -0.026 1.00 0.00 H new ATOM 0 HB ILE A 481 4.744 -3.886 -2.685 1.00 0.00 H new ATOM 0 HG12 ILE A 481 2.817 -3.979 -0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 481 2.661 -2.782 -1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 481 4.699 -5.931 -1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 481 6.233 -5.048 -1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 481 4.992 -4.955 0.146 1.00 0.00 H new ATOM 0 HD11 ILE A 481 1.215 -4.708 -2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 481 2.467 -4.576 -3.308 1.00 0.00 H new ATOM 0 HD13 ILE A 481 2.626 -5.791 -2.018 1.00 0.00 H new ATOM 784 N TYR A 482 7.437 -2.323 -0.209 1.00 0.00 N ATOM 785 CA TYR A 482 8.894 -2.361 -0.259 1.00 0.00 C ATOM 786 C TYR A 482 9.442 -3.461 0.645 1.00 0.00 C ATOM 787 O TYR A 482 8.951 -3.669 1.754 1.00 0.00 O ATOM 788 CB TYR A 482 9.475 -1.008 0.155 1.00 0.00 C ATOM 789 CG TYR A 482 10.899 -0.794 -0.305 1.00 0.00 C ATOM 790 CD1 TYR A 482 11.943 -1.538 0.230 1.00 0.00 C ATOM 791 CD2 TYR A 482 11.200 0.153 -1.277 1.00 0.00 C ATOM 792 CE1 TYR A 482 13.245 -1.344 -0.188 1.00 0.00 C ATOM 793 CE2 TYR A 482 12.499 0.352 -1.702 1.00 0.00 C ATOM 794 CZ TYR A 482 13.518 -0.398 -1.154 1.00 0.00 C ATOM 795 OH TYR A 482 14.814 -0.204 -1.574 1.00 0.00 O ATOM 0 H TYR A 482 7.052 -2.078 0.703 1.00 0.00 H new ATOM 0 HA TYR A 482 9.191 -2.578 -1.285 1.00 0.00 H new ATOM 0 HB2 TYR A 482 8.848 -0.214 -0.250 1.00 0.00 H new ATOM 0 HB3 TYR A 482 9.436 -0.922 1.241 1.00 0.00 H new ATOM 0 HD1 TYR A 482 11.733 -2.281 0.986 1.00 0.00 H new ATOM 0 HD2 TYR A 482 10.404 0.743 -1.707 1.00 0.00 H new ATOM 0 HE1 TYR A 482 14.045 -1.930 0.239 1.00 0.00 H new ATOM 0 HE2 TYR A 482 12.715 1.091 -2.459 1.00 0.00 H new ATOM 0 HH TYR A 482 14.835 0.497 -2.259 1.00 0.00 H new ATOM 805 N GLN A 483 10.463 -4.162 0.161 1.00 0.00 N ATOM 806 CA GLN A 483 11.078 -5.241 0.925 1.00 0.00 C ATOM 807 C GLN A 483 12.581 -5.296 0.675 1.00 0.00 C ATOM 808 O GLN A 483 13.076 -4.754 -0.312 1.00 0.00 O ATOM 809 CB GLN A 483 10.439 -6.582 0.560 1.00 0.00 C ATOM 810 CG GLN A 483 10.656 -6.984 -0.890 1.00 0.00 C ATOM 811 CD GLN A 483 10.373 -8.453 -1.137 1.00 0.00 C ATOM 812 OE1 GLN A 483 11.293 -9.261 -1.267 1.00 0.00 O ATOM 813 NE2 GLN A 483 9.095 -8.807 -1.201 1.00 0.00 N ATOM 0 H GLN A 483 10.881 -4.002 -0.756 1.00 0.00 H new ATOM 0 HA GLN A 483 10.911 -5.044 1.984 1.00 0.00 H new ATOM 0 HB2 GLN A 483 10.846 -7.358 1.208 1.00 0.00 H new ATOM 0 HB3 GLN A 483 9.368 -6.531 0.758 1.00 0.00 H new ATOM 0 HG2 GLN A 483 10.012 -6.381 -1.530 1.00 0.00 H new ATOM 0 HG3 GLN A 483 11.685 -6.763 -1.174 1.00 0.00 H new ATOM 0 HE21 GLN A 483 8.365 -8.104 -1.088 1.00 0.00 H new ATOM 0 HE22 GLN A 483 8.843 -9.782 -1.364 1.00 0.00 H new ATOM 822 N GLU A 484 13.302 -5.954 1.578 1.00 0.00 N ATOM 823 CA GLU A 484 14.750 -6.078 1.454 1.00 0.00 C ATOM 824 C GLU A 484 15.294 -7.108 2.441 1.00 0.00 C ATOM 825 O GLU A 484 14.707 -7.342 3.498 1.00 0.00 O ATOM 826 CB GLU A 484 15.422 -4.724 1.691 1.00 0.00 C ATOM 827 CG GLU A 484 16.896 -4.704 1.322 1.00 0.00 C ATOM 828 CD GLU A 484 17.671 -3.639 2.073 1.00 0.00 C ATOM 829 OE1 GLU A 484 17.957 -3.846 3.271 1.00 0.00 O ATOM 830 OE2 GLU A 484 17.992 -2.597 1.463 1.00 0.00 O ATOM 0 H GLU A 484 12.908 -6.409 2.402 1.00 0.00 H new ATOM 0 HA GLU A 484 14.975 -6.415 0.442 1.00 0.00 H new ATOM 0 HB2 GLU A 484 14.900 -3.962 1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 484 15.315 -4.454 2.742 1.00 0.00 H new ATOM 0 HG2 GLU A 484 17.332 -5.681 1.531 1.00 0.00 H new ATOM 0 HG3 GLU A 484 16.996 -4.533 0.250 1.00 0.00 H new ATOM 837 N LYS A 485 16.419 -7.720 2.088 1.00 0.00 N ATOM 838 CA LYS A 485 17.044 -8.724 2.941 1.00 0.00 C ATOM 839 C LYS A 485 17.766 -8.069 4.114 1.00 0.00 C ATOM 840 O LYS A 485 18.514 -7.108 3.935 1.00 0.00 O ATOM 841 CB LYS A 485 18.029 -9.570 2.130 1.00 0.00 C ATOM 842 CG LYS A 485 18.371 -10.898 2.783 1.00 0.00 C ATOM 843 CD LYS A 485 19.072 -11.833 1.811 1.00 0.00 C ATOM 844 CE LYS A 485 18.768 -13.290 2.122 1.00 0.00 C ATOM 845 NZ LYS A 485 17.552 -13.768 1.407 1.00 0.00 N ATOM 0 H LYS A 485 16.917 -7.538 1.217 1.00 0.00 H new ATOM 0 HA LYS A 485 16.259 -9.369 3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 485 17.607 -9.758 1.143 1.00 0.00 H new ATOM 0 HB3 LYS A 485 18.947 -9.001 1.981 1.00 0.00 H new ATOM 0 HG2 LYS A 485 19.011 -10.725 3.648 1.00 0.00 H new ATOM 0 HG3 LYS A 485 17.459 -11.370 3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 485 18.757 -11.604 0.793 1.00 0.00 H new ATOM 0 HD3 LYS A 485 20.148 -11.667 1.857 1.00 0.00 H new ATOM 0 HE2 LYS A 485 19.621 -13.907 1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 485 18.629 -13.411 3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 485 16.962 -14.324 2.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 485 17.010 -12.951 1.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 485 17.834 -14.363 0.602 1.00 0.00 H new ATOM 950 N GLU A 493 16.469 -13.561 7.283 1.00 0.00 N ATOM 951 CA GLU A 493 15.071 -13.154 7.374 1.00 0.00 C ATOM 952 C GLU A 493 14.760 -12.048 6.369 1.00 0.00 C ATOM 953 O GLU A 493 15.622 -11.231 6.043 1.00 0.00 O ATOM 954 CB GLU A 493 14.747 -12.677 8.791 1.00 0.00 C ATOM 955 CG GLU A 493 13.290 -12.292 8.985 1.00 0.00 C ATOM 956 CD GLU A 493 13.002 -11.786 10.385 1.00 0.00 C ATOM 957 OE1 GLU A 493 13.775 -10.940 10.881 1.00 0.00 O ATOM 958 OE2 GLU A 493 12.004 -12.237 10.985 1.00 0.00 O ATOM 0 HA GLU A 493 14.451 -14.019 7.139 1.00 0.00 H new ATOM 0 HB2 GLU A 493 15.003 -13.466 9.498 1.00 0.00 H new ATOM 0 HB3 GLU A 493 15.376 -11.819 9.029 1.00 0.00 H new ATOM 0 HG2 GLU A 493 13.022 -11.522 8.262 1.00 0.00 H new ATOM 0 HG3 GLU A 493 12.659 -13.156 8.778 1.00 0.00 H new ATOM 965 N ILE A 494 13.523 -12.030 5.883 1.00 0.00 N ATOM 966 CA ILE A 494 13.098 -11.025 4.917 1.00 0.00 C ATOM 967 C ILE A 494 11.908 -10.228 5.441 1.00 0.00 C ATOM 968 O ILE A 494 10.794 -10.744 5.531 1.00 0.00 O ATOM 969 CB ILE A 494 12.719 -11.665 3.568 1.00 0.00 C ATOM 970 CG1 ILE A 494 13.796 -12.661 3.132 1.00 0.00 C ATOM 971 CG2 ILE A 494 12.523 -10.591 2.509 1.00 0.00 C ATOM 972 CD1 ILE A 494 15.162 -12.036 2.956 1.00 0.00 C ATOM 0 H ILE A 494 12.798 -12.699 6.142 1.00 0.00 H new ATOM 0 HA ILE A 494 13.944 -10.354 4.766 1.00 0.00 H new ATOM 0 HB ILE A 494 11.779 -12.204 3.689 1.00 0.00 H new ATOM 0 HG12 ILE A 494 13.863 -13.458 3.872 1.00 0.00 H new ATOM 0 HG13 ILE A 494 13.493 -13.123 2.192 1.00 0.00 H new ATOM 0 HG21 ILE A 494 12.256 -11.059 1.561 1.00 0.00 H new ATOM 0 HG22 ILE A 494 11.725 -9.916 2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 494 13.448 -10.027 2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 494 15.875 -12.800 2.646 1.00 0.00 H new ATOM 0 HD12 ILE A 494 15.111 -11.258 2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 494 15.486 -11.599 3.900 1.00 0.00 H new ATOM 984 N ILE A 495 12.152 -8.967 5.782 1.00 0.00 N ATOM 985 CA ILE A 495 11.099 -8.098 6.294 1.00 0.00 C ATOM 986 C ILE A 495 10.276 -7.504 5.157 1.00 0.00 C ATOM 987 O ILE A 495 10.629 -7.637 3.985 1.00 0.00 O ATOM 988 CB ILE A 495 11.679 -6.953 7.145 1.00 0.00 C ATOM 989 CG1 ILE A 495 12.475 -5.986 6.265 1.00 0.00 C ATOM 990 CG2 ILE A 495 12.557 -7.510 8.256 1.00 0.00 C ATOM 991 CD1 ILE A 495 11.604 -5.082 5.420 1.00 0.00 C ATOM 0 H ILE A 495 13.068 -8.525 5.713 1.00 0.00 H new ATOM 0 HA ILE A 495 10.456 -8.716 6.921 1.00 0.00 H new ATOM 0 HB ILE A 495 10.854 -6.406 7.600 1.00 0.00 H new ATOM 0 HG12 ILE A 495 13.114 -5.372 6.900 1.00 0.00 H new ATOM 0 HG13 ILE A 495 13.132 -6.559 5.611 1.00 0.00 H new ATOM 0 HG21 ILE A 495 12.959 -6.688 8.848 1.00 0.00 H new ATOM 0 HG22 ILE A 495 11.963 -8.162 8.896 1.00 0.00 H new ATOM 0 HG23 ILE A 495 13.378 -8.079 7.820 1.00 0.00 H new ATOM 0 HD11 ILE A 495 12.235 -4.424 4.822 1.00 0.00 H new ATOM 0 HD12 ILE A 495 10.984 -5.688 4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 495 10.965 -4.482 6.068 1.00 0.00 H new ATOM 1003 N VAL A 496 9.176 -6.846 5.510 1.00 0.00 N ATOM 1004 CA VAL A 496 8.303 -6.228 4.520 1.00 0.00 C ATOM 1005 C VAL A 496 7.720 -4.919 5.041 1.00 0.00 C ATOM 1006 O VAL A 496 7.085 -4.885 6.095 1.00 0.00 O ATOM 1007 CB VAL A 496 7.149 -7.169 4.124 1.00 0.00 C ATOM 1008 CG1 VAL A 496 6.141 -6.440 3.249 1.00 0.00 C ATOM 1009 CG2 VAL A 496 7.688 -8.403 3.416 1.00 0.00 C ATOM 0 H VAL A 496 8.869 -6.727 6.475 1.00 0.00 H new ATOM 0 HA VAL A 496 8.915 -6.025 3.641 1.00 0.00 H new ATOM 0 HB VAL A 496 6.639 -7.492 5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 496 5.334 -7.121 2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 496 5.732 -5.590 3.796 1.00 0.00 H new ATOM 0 HG13 VAL A 496 6.634 -6.086 2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 496 6.860 -9.057 3.143 1.00 0.00 H new ATOM 0 HG22 VAL A 496 8.224 -8.101 2.516 1.00 0.00 H new ATOM 0 HG23 VAL A 496 8.367 -8.936 4.081 1.00 0.00 H new ATOM 1019 N LYS A 497 7.940 -3.842 4.294 1.00 0.00 N ATOM 1020 CA LYS A 497 7.436 -2.529 4.679 1.00 0.00 C ATOM 1021 C LYS A 497 6.316 -2.081 3.744 1.00 0.00 C ATOM 1022 O LYS A 497 6.557 -1.766 2.578 1.00 0.00 O ATOM 1023 CB LYS A 497 8.569 -1.500 4.664 1.00 0.00 C ATOM 1024 CG LYS A 497 8.267 -0.251 5.473 1.00 0.00 C ATOM 1025 CD LYS A 497 8.576 -0.454 6.947 1.00 0.00 C ATOM 1026 CE LYS A 497 8.989 0.848 7.615 1.00 0.00 C ATOM 1027 NZ LYS A 497 9.677 0.612 8.914 1.00 0.00 N ATOM 0 H LYS A 497 8.464 -3.853 3.419 1.00 0.00 H new ATOM 0 HA LYS A 497 7.035 -2.604 5.690 1.00 0.00 H new ATOM 0 HB2 LYS A 497 9.475 -1.964 5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 497 8.775 -1.214 3.633 1.00 0.00 H new ATOM 0 HG2 LYS A 497 8.854 0.583 5.089 1.00 0.00 H new ATOM 0 HG3 LYS A 497 7.217 0.016 5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 497 7.699 -0.860 7.451 1.00 0.00 H new ATOM 0 HD3 LYS A 497 9.374 -1.188 7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 497 9.650 1.403 6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 497 8.107 1.468 7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 497 10.335 1.394 9.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 497 8.971 0.559 9.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 497 10.206 -0.282 8.869 1.00 0.00 H new ATOM 1041 N ILE A 498 5.094 -2.054 4.264 1.00 0.00 N ATOM 1042 CA ILE A 498 3.938 -1.642 3.476 1.00 0.00 C ATOM 1043 C ILE A 498 3.556 -0.197 3.776 1.00 0.00 C ATOM 1044 O ILE A 498 3.190 0.139 4.902 1.00 0.00 O ATOM 1045 CB ILE A 498 2.723 -2.550 3.743 1.00 0.00 C ATOM 1046 CG1 ILE A 498 3.057 -4.002 3.398 1.00 0.00 C ATOM 1047 CG2 ILE A 498 1.520 -2.073 2.942 1.00 0.00 C ATOM 1048 CD1 ILE A 498 2.100 -5.004 4.006 1.00 0.00 C ATOM 0 H ILE A 498 4.878 -2.312 5.227 1.00 0.00 H new ATOM 0 HA ILE A 498 4.222 -1.729 2.427 1.00 0.00 H new ATOM 0 HB ILE A 498 2.475 -2.497 4.803 1.00 0.00 H new ATOM 0 HG12 ILE A 498 3.053 -4.119 2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 498 4.068 -4.224 3.739 1.00 0.00 H new ATOM 0 HG21 ILE A 498 0.669 -2.724 3.141 1.00 0.00 H new ATOM 0 HG22 ILE A 498 1.271 -1.052 3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 498 1.757 -2.100 1.878 1.00 0.00 H new ATOM 0 HD11 ILE A 498 2.398 -6.012 3.719 1.00 0.00 H new ATOM 0 HD12 ILE A 498 2.121 -4.915 5.092 1.00 0.00 H new ATOM 0 HD13 ILE A 498 1.090 -4.808 3.645 1.00 0.00 H new ATOM 1060 N PHE A 499 3.641 0.655 2.759 1.00 0.00 N ATOM 1061 CA PHE A 499 3.302 2.065 2.913 1.00 0.00 C ATOM 1062 C PHE A 499 1.864 2.330 2.477 1.00 0.00 C ATOM 1063 O PHE A 499 1.475 2.011 1.354 1.00 0.00 O ATOM 1064 CB PHE A 499 4.262 2.933 2.098 1.00 0.00 C ATOM 1065 CG PHE A 499 5.697 2.801 2.521 1.00 0.00 C ATOM 1066 CD1 PHE A 499 6.058 2.953 3.851 1.00 0.00 C ATOM 1067 CD2 PHE A 499 6.686 2.524 1.591 1.00 0.00 C ATOM 1068 CE1 PHE A 499 7.377 2.833 4.243 1.00 0.00 C ATOM 1069 CE2 PHE A 499 8.007 2.402 1.977 1.00 0.00 C ATOM 1070 CZ PHE A 499 8.353 2.555 3.306 1.00 0.00 C ATOM 0 H PHE A 499 3.942 0.394 1.820 1.00 0.00 H new ATOM 0 HA PHE A 499 3.396 2.323 3.968 1.00 0.00 H new ATOM 0 HB2 PHE A 499 4.176 2.665 1.045 1.00 0.00 H new ATOM 0 HB3 PHE A 499 3.960 3.977 2.187 1.00 0.00 H new ATOM 0 HD1 PHE A 499 5.299 3.168 4.589 1.00 0.00 H new ATOM 0 HD2 PHE A 499 6.421 2.402 0.551 1.00 0.00 H new ATOM 0 HE1 PHE A 499 7.645 2.957 5.282 1.00 0.00 H new ATOM 0 HE2 PHE A 499 8.768 2.187 1.241 1.00 0.00 H new ATOM 0 HZ PHE A 499 9.384 2.457 3.611 1.00 0.00 H new ATOM 1080 N VAL A 500 1.078 2.915 3.375 1.00 0.00 N ATOM 1081 CA VAL A 500 -0.317 3.224 3.085 1.00 0.00 C ATOM 1082 C VAL A 500 -0.645 4.670 3.441 1.00 0.00 C ATOM 1083 O VAL A 500 -0.857 4.999 4.607 1.00 0.00 O ATOM 1084 CB VAL A 500 -1.270 2.289 3.852 1.00 0.00 C ATOM 1085 CG1 VAL A 500 -2.698 2.809 3.784 1.00 0.00 C ATOM 1086 CG2 VAL A 500 -1.182 0.873 3.304 1.00 0.00 C ATOM 0 H VAL A 500 1.384 3.185 4.310 1.00 0.00 H new ATOM 0 HA VAL A 500 -0.458 3.075 2.014 1.00 0.00 H new ATOM 0 HB VAL A 500 -0.966 2.268 4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 500 -3.357 2.135 4.332 1.00 0.00 H new ATOM 0 HG12 VAL A 500 -2.745 3.803 4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -3.017 2.862 2.743 1.00 0.00 H new ATOM 0 HG21 VAL A 500 -1.862 0.226 3.858 1.00 0.00 H new ATOM 0 HG22 VAL A 500 -1.459 0.873 2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 500 -0.162 0.504 3.411 1.00 0.00 H new ATOM 1096 N GLU A 501 -0.686 5.529 2.426 1.00 0.00 N ATOM 1097 CA GLU A 501 -0.988 6.940 2.633 1.00 0.00 C ATOM 1098 C GLU A 501 -2.454 7.233 2.328 1.00 0.00 C ATOM 1099 O GLU A 501 -3.002 6.750 1.336 1.00 0.00 O ATOM 1100 CB GLU A 501 -0.089 7.811 1.754 1.00 0.00 C ATOM 1101 CG GLU A 501 -0.136 9.288 2.109 1.00 0.00 C ATOM 1102 CD GLU A 501 0.143 10.184 0.918 1.00 0.00 C ATOM 1103 OE1 GLU A 501 0.991 9.811 0.080 1.00 0.00 O ATOM 1104 OE2 GLU A 501 -0.486 11.258 0.824 1.00 0.00 O ATOM 0 H GLU A 501 -0.514 5.272 1.454 1.00 0.00 H new ATOM 0 HA GLU A 501 -0.798 7.176 3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 501 0.939 7.458 1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 501 -0.384 7.687 0.712 1.00 0.00 H new ATOM 0 HG2 GLU A 501 -1.117 9.528 2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 501 0.594 9.493 2.892 1.00 0.00 H new ATOM 1111 N PHE A 502 -3.085 8.025 3.188 1.00 0.00 N ATOM 1112 CA PHE A 502 -4.488 8.382 3.012 1.00 0.00 C ATOM 1113 C PHE A 502 -4.627 9.822 2.529 1.00 0.00 C ATOM 1114 O PHE A 502 -3.632 10.510 2.299 1.00 0.00 O ATOM 1115 CB PHE A 502 -5.251 8.197 4.325 1.00 0.00 C ATOM 1116 CG PHE A 502 -5.389 6.760 4.742 1.00 0.00 C ATOM 1117 CD1 PHE A 502 -6.476 6.007 4.330 1.00 0.00 C ATOM 1118 CD2 PHE A 502 -4.431 6.164 5.545 1.00 0.00 C ATOM 1119 CE1 PHE A 502 -6.605 4.684 4.711 1.00 0.00 C ATOM 1120 CE2 PHE A 502 -4.554 4.842 5.929 1.00 0.00 C ATOM 1121 CZ PHE A 502 -5.643 4.101 5.512 1.00 0.00 C ATOM 0 H PHE A 502 -2.647 8.432 4.014 1.00 0.00 H new ATOM 0 HA PHE A 502 -4.913 7.722 2.256 1.00 0.00 H new ATOM 0 HB2 PHE A 502 -4.739 8.748 5.114 1.00 0.00 H new ATOM 0 HB3 PHE A 502 -6.244 8.634 4.223 1.00 0.00 H new ATOM 0 HD1 PHE A 502 -7.232 6.458 3.704 1.00 0.00 H new ATOM 0 HD2 PHE A 502 -3.578 6.739 5.875 1.00 0.00 H new ATOM 0 HE1 PHE A 502 -7.457 4.107 4.383 1.00 0.00 H new ATOM 0 HE2 PHE A 502 -3.799 4.389 6.555 1.00 0.00 H new ATOM 0 HZ PHE A 502 -5.742 3.068 5.812 1.00 0.00 H new ATOM 1131 N SER A 503 -5.868 10.272 2.375 1.00 0.00 N ATOM 1132 CA SER A 503 -6.139 11.629 1.915 1.00 0.00 C ATOM 1133 C SER A 503 -5.872 12.642 3.024 1.00 0.00 C ATOM 1134 O SER A 503 -5.348 13.728 2.774 1.00 0.00 O ATOM 1135 CB SER A 503 -7.587 11.748 1.436 1.00 0.00 C ATOM 1136 OG SER A 503 -7.742 11.203 0.138 1.00 0.00 O ATOM 0 H SER A 503 -6.702 9.716 2.562 1.00 0.00 H new ATOM 0 HA SER A 503 -5.470 11.845 1.082 1.00 0.00 H new ATOM 0 HB2 SER A 503 -8.247 11.230 2.132 1.00 0.00 H new ATOM 0 HB3 SER A 503 -7.887 12.796 1.432 1.00 0.00 H new ATOM 0 HG SER A 503 -6.886 10.836 -0.167 1.00 0.00 H new ATOM 1142 N ILE A 504 -6.237 12.279 4.249 1.00 0.00 N ATOM 1143 CA ILE A 504 -6.037 13.155 5.396 1.00 0.00 C ATOM 1144 C ILE A 504 -5.265 12.444 6.502 1.00 0.00 C ATOM 1145 O ILE A 504 -5.077 11.228 6.460 1.00 0.00 O ATOM 1146 CB ILE A 504 -7.378 13.656 5.963 1.00 0.00 C ATOM 1147 CG1 ILE A 504 -8.385 12.506 6.043 1.00 0.00 C ATOM 1148 CG2 ILE A 504 -7.926 14.787 5.105 1.00 0.00 C ATOM 1149 CD1 ILE A 504 -9.771 12.944 6.461 1.00 0.00 C ATOM 0 H ILE A 504 -6.673 11.384 4.472 1.00 0.00 H new ATOM 0 HA ILE A 504 -5.459 14.009 5.043 1.00 0.00 H new ATOM 0 HB ILE A 504 -7.210 14.038 6.970 1.00 0.00 H new ATOM 0 HG12 ILE A 504 -8.445 12.018 5.070 1.00 0.00 H new ATOM 0 HG13 ILE A 504 -8.019 11.762 6.751 1.00 0.00 H new ATOM 0 HG21 ILE A 504 -8.874 15.131 5.518 1.00 0.00 H new ATOM 0 HG22 ILE A 504 -7.215 15.613 5.094 1.00 0.00 H new ATOM 0 HG23 ILE A 504 -8.082 14.429 4.087 1.00 0.00 H new ATOM 0 HD11 ILE A 504 -10.431 12.077 6.496 1.00 0.00 H new ATOM 0 HD12 ILE A 504 -9.725 13.405 7.447 1.00 0.00 H new ATOM 0 HD13 ILE A 504 -10.157 13.665 5.741 1.00 0.00 H new ATOM 1161 N ALA A 505 -4.820 13.210 7.493 1.00 0.00 N ATOM 1162 CA ALA A 505 -4.072 12.653 8.613 1.00 0.00 C ATOM 1163 C ALA A 505 -4.994 11.911 9.574 1.00 0.00 C ATOM 1164 O ALA A 505 -4.702 10.788 9.987 1.00 0.00 O ATOM 1165 CB ALA A 505 -3.320 13.755 9.345 1.00 0.00 C ATOM 0 H ALA A 505 -4.965 14.218 7.543 1.00 0.00 H new ATOM 0 HA ALA A 505 -3.352 11.937 8.217 1.00 0.00 H new ATOM 0 HB1 ALA A 505 -2.766 13.325 10.179 1.00 0.00 H new ATOM 0 HB2 ALA A 505 -2.625 14.239 8.659 1.00 0.00 H new ATOM 0 HB3 ALA A 505 -4.030 14.491 9.722 1.00 0.00 H new ATOM 1171 N SER A 506 -6.107 12.545 9.928 1.00 0.00 N ATOM 1172 CA SER A 506 -7.070 11.946 10.845 1.00 0.00 C ATOM 1173 C SER A 506 -7.306 10.478 10.502 1.00 0.00 C ATOM 1174 O SER A 506 -6.945 9.585 11.268 1.00 0.00 O ATOM 1175 CB SER A 506 -8.394 12.711 10.800 1.00 0.00 C ATOM 1176 OG SER A 506 -9.250 12.311 11.855 1.00 0.00 O ATOM 0 H SER A 506 -6.364 13.474 9.594 1.00 0.00 H new ATOM 0 HA SER A 506 -6.659 12.005 11.853 1.00 0.00 H new ATOM 0 HB2 SER A 506 -8.202 13.782 10.870 1.00 0.00 H new ATOM 0 HB3 SER A 506 -8.886 12.537 9.843 1.00 0.00 H new ATOM 0 HG SER A 506 -10.089 12.816 11.805 1.00 0.00 H new ATOM 1182 N GLU A 507 -7.914 10.238 9.344 1.00 0.00 N ATOM 1183 CA GLU A 507 -8.199 8.879 8.900 1.00 0.00 C ATOM 1184 C GLU A 507 -7.014 7.957 9.173 1.00 0.00 C ATOM 1185 O GLU A 507 -7.182 6.835 9.653 1.00 0.00 O ATOM 1186 CB GLU A 507 -8.535 8.866 7.407 1.00 0.00 C ATOM 1187 CG GLU A 507 -9.816 9.610 7.065 1.00 0.00 C ATOM 1188 CD GLU A 507 -11.055 8.760 7.269 1.00 0.00 C ATOM 1189 OE1 GLU A 507 -11.140 8.072 8.307 1.00 0.00 O ATOM 1190 OE2 GLU A 507 -11.941 8.784 6.388 1.00 0.00 O ATOM 0 H GLU A 507 -8.218 10.966 8.698 1.00 0.00 H new ATOM 0 HA GLU A 507 -9.059 8.514 9.462 1.00 0.00 H new ATOM 0 HB2 GLU A 507 -7.708 9.310 6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 507 -8.624 7.833 7.072 1.00 0.00 H new ATOM 0 HG2 GLU A 507 -9.888 10.505 7.683 1.00 0.00 H new ATOM 0 HG3 GLU A 507 -9.774 9.941 6.027 1.00 0.00 H new ATOM 1197 N THR A 508 -5.814 8.437 8.862 1.00 0.00 N ATOM 1198 CA THR A 508 -4.601 7.657 9.072 1.00 0.00 C ATOM 1199 C THR A 508 -4.424 7.300 10.543 1.00 0.00 C ATOM 1200 O THR A 508 -4.409 6.125 10.909 1.00 0.00 O ATOM 1201 CB THR A 508 -3.353 8.419 8.586 1.00 0.00 C ATOM 1202 OG1 THR A 508 -3.686 9.237 7.460 1.00 0.00 O ATOM 1203 CG2 THR A 508 -2.243 7.451 8.206 1.00 0.00 C ATOM 0 H THR A 508 -5.656 9.363 8.464 1.00 0.00 H new ATOM 0 HA THR A 508 -4.709 6.742 8.490 1.00 0.00 H new ATOM 0 HB THR A 508 -3.000 9.051 9.401 1.00 0.00 H new ATOM 0 HG1 THR A 508 -4.079 10.079 7.772 1.00 0.00 H new ATOM 0 HG21 THR A 508 -1.372 8.011 7.866 1.00 0.00 H new ATOM 0 HG22 THR A 508 -1.972 6.850 9.074 1.00 0.00 H new ATOM 0 HG23 THR A 508 -2.589 6.797 7.406 1.00 0.00 H new ATOM 1211 N HIS A 509 -4.292 8.322 11.383 1.00 0.00 N ATOM 1212 CA HIS A 509 -4.118 8.115 12.817 1.00 0.00 C ATOM 1213 C HIS A 509 -5.019 6.989 13.317 1.00 0.00 C ATOM 1214 O HIS A 509 -4.616 6.184 14.156 1.00 0.00 O ATOM 1215 CB HIS A 509 -4.421 9.404 13.580 1.00 0.00 C ATOM 1216 CG HIS A 509 -3.269 10.360 13.624 1.00 0.00 C ATOM 1217 ND1 HIS A 509 -2.715 10.818 14.800 1.00 0.00 N ATOM 1218 CD2 HIS A 509 -2.564 10.943 12.626 1.00 0.00 C ATOM 1219 CE1 HIS A 509 -1.721 11.643 14.524 1.00 0.00 C ATOM 1220 NE2 HIS A 509 -1.608 11.736 13.212 1.00 0.00 N ATOM 0 H HIS A 509 -4.302 9.301 11.096 1.00 0.00 H new ATOM 0 HA HIS A 509 -3.081 7.832 12.995 1.00 0.00 H new ATOM 0 HB2 HIS A 509 -5.275 9.898 13.117 1.00 0.00 H new ATOM 0 HB3 HIS A 509 -4.713 9.153 14.600 1.00 0.00 H new ATOM 0 HD2 HIS A 509 -2.724 10.809 11.566 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -1.105 12.155 15.249 1.00 0.00 H new ATOM 0 HE2 HIS A 509 -0.922 12.304 12.715 1.00 0.00 H new ATOM 1228 N LYS A 510 -6.240 6.940 12.796 1.00 0.00 N ATOM 1229 CA LYS A 510 -7.199 5.914 13.188 1.00 0.00 C ATOM 1230 C LYS A 510 -6.709 4.528 12.782 1.00 0.00 C ATOM 1231 O LYS A 510 -6.543 3.647 13.625 1.00 0.00 O ATOM 1232 CB LYS A 510 -8.563 6.192 12.552 1.00 0.00 C ATOM 1233 CG LYS A 510 -9.583 5.093 12.796 1.00 0.00 C ATOM 1234 CD LYS A 510 -10.919 5.419 12.150 1.00 0.00 C ATOM 1235 CE LYS A 510 -11.670 6.486 12.932 1.00 0.00 C ATOM 1236 NZ LYS A 510 -13.000 6.781 12.331 1.00 0.00 N ATOM 0 H LYS A 510 -6.589 7.599 12.101 1.00 0.00 H new ATOM 0 HA LYS A 510 -7.299 5.941 14.273 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -8.953 7.131 12.944 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -8.434 6.324 11.478 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -9.206 4.151 12.399 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -9.720 4.954 13.868 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -10.756 5.762 11.128 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -11.526 4.515 12.090 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -11.802 6.156 13.962 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -11.075 7.399 12.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -13.480 7.513 12.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -12.873 7.121 11.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -13.577 5.916 12.324 1.00 0.00 H new ATOM 1250 N ALA A 511 -6.478 4.343 11.486 1.00 0.00 N ATOM 1251 CA ALA A 511 -6.004 3.065 10.970 1.00 0.00 C ATOM 1252 C ALA A 511 -4.841 2.535 11.801 1.00 0.00 C ATOM 1253 O ALA A 511 -4.707 1.327 11.998 1.00 0.00 O ATOM 1254 CB ALA A 511 -5.593 3.206 9.511 1.00 0.00 C ATOM 0 H ALA A 511 -6.611 5.062 10.775 1.00 0.00 H new ATOM 0 HA ALA A 511 -6.821 2.347 11.038 1.00 0.00 H new ATOM 0 HB1 ALA A 511 -5.241 2.244 9.138 1.00 0.00 H new ATOM 0 HB2 ALA A 511 -6.450 3.532 8.922 1.00 0.00 H new ATOM 0 HB3 ALA A 511 -4.794 3.942 9.428 1.00 0.00 H new ATOM 1260 N ILE A 512 -4.002 3.445 12.284 1.00 0.00 N ATOM 1261 CA ILE A 512 -2.850 3.067 13.094 1.00 0.00 C ATOM 1262 C ILE A 512 -3.273 2.692 14.510 1.00 0.00 C ATOM 1263 O ILE A 512 -2.824 1.684 15.056 1.00 0.00 O ATOM 1264 CB ILE A 512 -1.815 4.205 13.165 1.00 0.00 C ATOM 1265 CG1 ILE A 512 -1.294 4.537 11.765 1.00 0.00 C ATOM 1266 CG2 ILE A 512 -0.666 3.820 14.086 1.00 0.00 C ATOM 1267 CD1 ILE A 512 -0.569 5.863 11.689 1.00 0.00 C ATOM 0 H ILE A 512 -4.098 4.449 12.129 1.00 0.00 H new ATOM 0 HA ILE A 512 -2.395 2.202 12.612 1.00 0.00 H new ATOM 0 HB ILE A 512 -2.300 5.092 13.572 1.00 0.00 H new ATOM 0 HG12 ILE A 512 -0.620 3.744 11.439 1.00 0.00 H new ATOM 0 HG13 ILE A 512 -2.132 4.550 11.068 1.00 0.00 H new ATOM 0 HG21 ILE A 512 0.057 4.635 14.126 1.00 0.00 H new ATOM 0 HG22 ILE A 512 -1.051 3.628 15.087 1.00 0.00 H new ATOM 0 HG23 ILE A 512 -0.180 2.922 13.705 1.00 0.00 H new ATOM 0 HD11 ILE A 512 -0.227 6.033 10.668 1.00 0.00 H new ATOM 0 HD12 ILE A 512 -1.246 6.665 11.983 1.00 0.00 H new ATOM 0 HD13 ILE A 512 0.289 5.847 12.361 1.00 0.00 H new ATOM 1279 N GLN A 513 -4.142 3.508 15.099 1.00 0.00 N ATOM 1280 CA GLN A 513 -4.627 3.260 16.451 1.00 0.00 C ATOM 1281 C GLN A 513 -5.145 1.832 16.591 1.00 0.00 C ATOM 1282 O GLN A 513 -4.986 1.204 17.637 1.00 0.00 O ATOM 1283 CB GLN A 513 -5.733 4.254 16.809 1.00 0.00 C ATOM 1284 CG GLN A 513 -5.216 5.638 17.167 1.00 0.00 C ATOM 1285 CD GLN A 513 -4.726 5.725 18.599 1.00 0.00 C ATOM 1286 OE1 GLN A 513 -5.276 5.085 19.496 1.00 0.00 O ATOM 1287 NE2 GLN A 513 -3.686 6.520 18.822 1.00 0.00 N ATOM 0 H GLN A 513 -4.524 4.346 14.661 1.00 0.00 H new ATOM 0 HA GLN A 513 -3.792 3.393 17.139 1.00 0.00 H new ATOM 0 HB2 GLN A 513 -6.420 4.339 15.967 1.00 0.00 H new ATOM 0 HB3 GLN A 513 -6.305 3.861 17.649 1.00 0.00 H new ATOM 0 HG2 GLN A 513 -4.403 5.904 16.492 1.00 0.00 H new ATOM 0 HG3 GLN A 513 -6.010 6.369 17.013 1.00 0.00 H new ATOM 0 HE21 GLN A 513 -3.261 7.032 18.049 1.00 0.00 H new ATOM 0 HE22 GLN A 513 -3.313 6.619 19.766 1.00 0.00 H new ATOM 1296 N ALA A 514 -5.765 1.327 15.529 1.00 0.00 N ATOM 1297 CA ALA A 514 -6.305 -0.027 15.533 1.00 0.00 C ATOM 1298 C ALA A 514 -5.259 -1.036 15.071 1.00 0.00 C ATOM 1299 O ALA A 514 -4.902 -1.958 15.806 1.00 0.00 O ATOM 1300 CB ALA A 514 -7.542 -0.105 14.652 1.00 0.00 C ATOM 0 H ALA A 514 -5.906 1.835 14.656 1.00 0.00 H new ATOM 0 HA ALA A 514 -6.586 -0.277 16.556 1.00 0.00 H new ATOM 0 HB1 ALA A 514 -7.934 -1.122 14.665 1.00 0.00 H new ATOM 0 HB2 ALA A 514 -8.301 0.581 15.028 1.00 0.00 H new ATOM 0 HB3 ALA A 514 -7.279 0.170 13.630 1.00 0.00 H new ATOM 1306 N LEU A 515 -4.772 -0.857 13.848 1.00 0.00 N ATOM 1307 CA LEU A 515 -3.767 -1.753 13.286 1.00 0.00 C ATOM 1308 C LEU A 515 -2.551 -1.851 14.202 1.00 0.00 C ATOM 1309 O LEU A 515 -1.783 -2.809 14.132 1.00 0.00 O ATOM 1310 CB LEU A 515 -3.338 -1.266 11.901 1.00 0.00 C ATOM 1311 CG LEU A 515 -4.357 -1.456 10.777 1.00 0.00 C ATOM 1312 CD1 LEU A 515 -4.018 -0.565 9.593 1.00 0.00 C ATOM 1313 CD2 LEU A 515 -4.415 -2.916 10.351 1.00 0.00 C ATOM 0 H LEU A 515 -5.057 -0.100 13.227 1.00 0.00 H new ATOM 0 HA LEU A 515 -4.211 -2.744 13.195 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -3.096 -0.205 11.970 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -2.420 -1.785 11.624 1.00 0.00 H new ATOM 0 HG LEU A 515 -5.340 -1.169 11.151 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -4.754 -0.714 8.803 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -4.030 0.478 9.908 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -3.027 -0.820 9.218 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -5.145 -3.033 9.550 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -3.434 -3.231 9.996 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -4.708 -3.532 11.201 1.00 0.00 H new ATOM 1325 N ASN A 516 -2.384 -0.852 15.063 1.00 0.00 N ATOM 1326 CA ASN A 516 -1.262 -0.826 15.995 1.00 0.00 C ATOM 1327 C ASN A 516 -1.110 -2.170 16.701 1.00 0.00 C ATOM 1328 O ASN A 516 -0.047 -2.486 17.234 1.00 0.00 O ATOM 1329 CB ASN A 516 -1.457 0.286 17.029 1.00 0.00 C ATOM 1330 CG ASN A 516 -0.602 0.082 18.265 1.00 0.00 C ATOM 1331 OD1 ASN A 516 -0.996 -0.866 19.107 1.00 0.00 O flip ATOM 1332 ND2 ASN A 516 0.401 0.769 18.459 1.00 0.00 N flip ATOM 0 H ASN A 516 -3.011 -0.050 15.135 1.00 0.00 H new ATOM 0 HA ASN A 516 -0.353 -0.629 15.426 1.00 0.00 H new ATOM 0 HB2 ASN A 516 -1.213 1.247 16.576 1.00 0.00 H new ATOM 0 HB3 ASN A 516 -2.507 0.328 17.320 1.00 0.00 H new ATOM 0 HD21 ASN A 516 0.666 1.487 17.784 1.00 0.00 H new ATOM 0 HD22 ASN A 516 0.967 0.621 19.294 1.00 0.00 H new ATOM 1339 N GLY A 517 -2.181 -2.958 16.699 1.00 0.00 N ATOM 1340 CA GLY A 517 -2.145 -4.259 17.341 1.00 0.00 C ATOM 1341 C GLY A 517 -3.215 -5.195 16.814 1.00 0.00 C ATOM 1342 O GLY A 517 -3.746 -6.022 17.556 1.00 0.00 O ATOM 0 H GLY A 517 -3.072 -2.719 16.265 1.00 0.00 H new ATOM 0 HA2 GLY A 517 -1.165 -4.710 17.187 1.00 0.00 H new ATOM 0 HA3 GLY A 517 -2.273 -4.134 18.416 1.00 0.00 H new ATOM 1346 N ARG A 518 -3.534 -5.064 15.531 1.00 0.00 N ATOM 1347 CA ARG A 518 -4.551 -5.903 14.907 1.00 0.00 C ATOM 1348 C ARG A 518 -4.062 -7.342 14.775 1.00 0.00 C ATOM 1349 O ARG A 518 -2.859 -7.605 14.810 1.00 0.00 O ATOM 1350 CB ARG A 518 -4.923 -5.351 13.530 1.00 0.00 C ATOM 1351 CG ARG A 518 -6.070 -4.354 13.563 1.00 0.00 C ATOM 1352 CD ARG A 518 -7.419 -5.055 13.556 1.00 0.00 C ATOM 1353 NE ARG A 518 -8.488 -4.182 13.080 1.00 0.00 N ATOM 1354 CZ ARG A 518 -9.777 -4.496 13.145 1.00 0.00 C ATOM 1355 NH1 ARG A 518 -10.155 -5.656 13.664 1.00 0.00 N ATOM 1356 NH2 ARG A 518 -10.691 -3.648 12.690 1.00 0.00 N ATOM 0 H ARG A 518 -3.103 -4.385 14.903 1.00 0.00 H new ATOM 0 HA ARG A 518 -5.435 -5.895 15.545 1.00 0.00 H new ATOM 0 HB2 ARG A 518 -4.048 -4.871 13.092 1.00 0.00 H new ATOM 0 HB3 ARG A 518 -5.192 -6.180 12.876 1.00 0.00 H new ATOM 0 HG2 ARG A 518 -5.987 -3.732 14.454 1.00 0.00 H new ATOM 0 HG3 ARG A 518 -6.000 -3.689 12.702 1.00 0.00 H new ATOM 0 HD2 ARG A 518 -7.364 -5.940 12.922 1.00 0.00 H new ATOM 0 HD3 ARG A 518 -7.654 -5.399 14.563 1.00 0.00 H new ATOM 0 HE ARG A 518 -8.231 -3.282 12.675 1.00 0.00 H new ATOM 0 HH11 ARG A 518 -9.455 -6.310 14.015 1.00 0.00 H new ATOM 0 HH12 ARG A 518 -11.146 -5.894 13.713 1.00 0.00 H new ATOM 0 HH21 ARG A 518 -10.404 -2.755 12.290 1.00 0.00 H new ATOM 0 HH22 ARG A 518 -11.681 -3.890 12.740 1.00 0.00 H new ATOM 1370 N TRP A 519 -5.001 -8.269 14.623 1.00 0.00 N ATOM 1371 CA TRP A 519 -4.665 -9.682 14.485 1.00 0.00 C ATOM 1372 C TRP A 519 -4.948 -10.173 13.070 1.00 0.00 C ATOM 1373 O TRP A 519 -6.101 -10.239 12.645 1.00 0.00 O ATOM 1374 CB TRP A 519 -5.455 -10.515 15.496 1.00 0.00 C ATOM 1375 CG TRP A 519 -4.714 -10.754 16.777 1.00 0.00 C ATOM 1376 CD1 TRP A 519 -4.927 -10.132 17.974 1.00 0.00 C ATOM 1377 CD2 TRP A 519 -3.642 -11.678 16.987 1.00 0.00 C ATOM 1378 NE1 TRP A 519 -4.050 -10.615 18.916 1.00 0.00 N ATOM 1379 CE2 TRP A 519 -3.252 -11.565 18.336 1.00 0.00 C ATOM 1380 CE3 TRP A 519 -2.974 -12.593 16.168 1.00 0.00 C ATOM 1381 CZ2 TRP A 519 -2.225 -12.331 18.881 1.00 0.00 C ATOM 1382 CZ3 TRP A 519 -1.955 -13.352 16.710 1.00 0.00 C ATOM 1383 CH2 TRP A 519 -1.588 -13.218 18.056 1.00 0.00 C ATOM 0 H TRP A 519 -6.001 -8.068 14.592 1.00 0.00 H new ATOM 0 HA TRP A 519 -3.599 -9.798 14.683 1.00 0.00 H new ATOM 0 HB2 TRP A 519 -6.395 -10.009 15.717 1.00 0.00 H new ATOM 0 HB3 TRP A 519 -5.708 -11.475 15.046 1.00 0.00 H new ATOM 0 HD1 TRP A 519 -5.674 -9.373 18.154 1.00 0.00 H new ATOM 0 HE1 TRP A 519 -4.001 -10.314 19.890 1.00 0.00 H new ATOM 0 HE3 TRP A 519 -3.250 -12.705 15.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 519 -1.941 -12.229 19.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 519 -1.432 -14.061 16.086 1.00 0.00 H new ATOM 0 HH2 TRP A 519 -0.787 -13.826 18.450 1.00 0.00 H new ATOM 1394 N PHE A 520 -3.889 -10.519 12.346 1.00 0.00 N ATOM 1395 CA PHE A 520 -4.025 -11.004 10.977 1.00 0.00 C ATOM 1396 C PHE A 520 -4.318 -12.502 10.958 1.00 0.00 C ATOM 1397 O PHE A 520 -4.028 -13.214 11.918 1.00 0.00 O ATOM 1398 CB PHE A 520 -2.751 -10.713 10.182 1.00 0.00 C ATOM 1399 CG PHE A 520 -2.950 -10.754 8.694 1.00 0.00 C ATOM 1400 CD1 PHE A 520 -3.494 -9.669 8.024 1.00 0.00 C ATOM 1401 CD2 PHE A 520 -2.595 -11.877 7.964 1.00 0.00 C ATOM 1402 CE1 PHE A 520 -3.679 -9.704 6.655 1.00 0.00 C ATOM 1403 CE2 PHE A 520 -2.778 -11.918 6.595 1.00 0.00 C ATOM 1404 CZ PHE A 520 -3.320 -10.830 5.939 1.00 0.00 C ATOM 0 H PHE A 520 -2.928 -10.473 12.684 1.00 0.00 H new ATOM 0 HA PHE A 520 -4.862 -10.481 10.514 1.00 0.00 H new ATOM 0 HB2 PHE A 520 -2.374 -9.730 10.463 1.00 0.00 H new ATOM 0 HB3 PHE A 520 -1.986 -11.439 10.458 1.00 0.00 H new ATOM 0 HD1 PHE A 520 -3.776 -8.786 8.578 1.00 0.00 H new ATOM 0 HD2 PHE A 520 -2.170 -12.731 8.471 1.00 0.00 H new ATOM 0 HE1 PHE A 520 -4.104 -8.852 6.145 1.00 0.00 H new ATOM 0 HE2 PHE A 520 -2.497 -12.800 6.038 1.00 0.00 H new ATOM 0 HZ PHE A 520 -3.463 -10.859 4.869 1.00 0.00 H new ATOM 1414 N ALA A 521 -4.896 -12.971 9.857 1.00 0.00 N ATOM 1415 CA ALA A 521 -5.228 -14.383 9.711 1.00 0.00 C ATOM 1416 C ALA A 521 -4.015 -15.264 9.991 1.00 0.00 C ATOM 1417 O ALA A 521 -3.294 -15.652 9.073 1.00 0.00 O ATOM 1418 CB ALA A 521 -5.772 -14.656 8.317 1.00 0.00 C ATOM 0 H ALA A 521 -5.144 -12.394 9.053 1.00 0.00 H new ATOM 0 HA ALA A 521 -5.998 -14.628 10.443 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -6.016 -15.714 8.222 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -6.670 -14.061 8.154 1.00 0.00 H new ATOM 0 HB3 ALA A 521 -5.020 -14.389 7.574 1.00 0.00 H new ATOM 1424 N GLY A 522 -3.795 -15.574 11.265 1.00 0.00 N ATOM 1425 CA GLY A 522 -2.668 -16.407 11.641 1.00 0.00 C ATOM 1426 C GLY A 522 -1.377 -15.619 11.750 1.00 0.00 C ATOM 1427 O GLY A 522 -0.289 -16.195 11.749 1.00 0.00 O ATOM 0 H GLY A 522 -4.377 -15.263 12.043 1.00 0.00 H new ATOM 0 HA2 GLY A 522 -2.878 -16.888 12.596 1.00 0.00 H new ATOM 0 HA3 GLY A 522 -2.545 -17.201 10.904 1.00 0.00 H new ATOM 1431 N ARG A 523 -1.497 -14.299 11.843 1.00 0.00 N ATOM 1432 CA ARG A 523 -0.331 -13.431 11.950 1.00 0.00 C ATOM 1433 C ARG A 523 -0.664 -12.166 12.735 1.00 0.00 C ATOM 1434 O ARG A 523 -1.826 -11.903 13.045 1.00 0.00 O ATOM 1435 CB ARG A 523 0.185 -13.060 10.559 1.00 0.00 C ATOM 1436 CG ARG A 523 0.995 -14.162 9.895 1.00 0.00 C ATOM 1437 CD ARG A 523 2.373 -14.296 10.524 1.00 0.00 C ATOM 1438 NE ARG A 523 2.376 -15.240 11.638 1.00 0.00 N ATOM 1439 CZ ARG A 523 3.445 -15.489 12.388 1.00 0.00 C ATOM 1440 NH1 ARG A 523 4.589 -14.866 12.144 1.00 0.00 N ATOM 1441 NH2 ARG A 523 3.369 -16.362 13.384 1.00 0.00 N ATOM 0 H ARG A 523 -2.391 -13.807 11.846 1.00 0.00 H new ATOM 0 HA ARG A 523 0.447 -13.975 12.485 1.00 0.00 H new ATOM 0 HB2 ARG A 523 -0.663 -12.809 9.921 1.00 0.00 H new ATOM 0 HB3 ARG A 523 0.801 -12.164 10.636 1.00 0.00 H new ATOM 0 HG2 ARG A 523 0.461 -15.109 9.980 1.00 0.00 H new ATOM 0 HG3 ARG A 523 1.099 -13.948 8.831 1.00 0.00 H new ATOM 0 HD2 ARG A 523 3.086 -14.625 9.768 1.00 0.00 H new ATOM 0 HD3 ARG A 523 2.708 -13.320 10.875 1.00 0.00 H new ATOM 0 HE ARG A 523 1.511 -15.735 11.852 1.00 0.00 H new ATOM 0 HH11 ARG A 523 4.651 -14.194 11.379 1.00 0.00 H new ATOM 0 HH12 ARG A 523 5.408 -15.059 12.721 1.00 0.00 H new ATOM 0 HH21 ARG A 523 2.490 -16.843 13.575 1.00 0.00 H new ATOM 0 HH22 ARG A 523 4.190 -16.552 13.959 1.00 0.00 H new ATOM 1455 N LYS A 524 0.363 -11.385 13.054 1.00 0.00 N ATOM 1456 CA LYS A 524 0.180 -10.147 13.801 1.00 0.00 C ATOM 1457 C LYS A 524 0.557 -8.938 12.952 1.00 0.00 C ATOM 1458 O LYS A 524 1.539 -8.970 12.209 1.00 0.00 O ATOM 1459 CB LYS A 524 1.023 -10.169 15.078 1.00 0.00 C ATOM 1460 CG LYS A 524 0.675 -9.060 16.056 1.00 0.00 C ATOM 1461 CD LYS A 524 0.922 -9.487 17.494 1.00 0.00 C ATOM 1462 CE LYS A 524 0.581 -8.373 18.472 1.00 0.00 C ATOM 1463 NZ LYS A 524 1.754 -7.498 18.746 1.00 0.00 N ATOM 0 H LYS A 524 1.331 -11.588 12.806 1.00 0.00 H new ATOM 0 HA LYS A 524 -0.873 -10.066 14.069 1.00 0.00 H new ATOM 0 HB2 LYS A 524 0.893 -11.132 15.572 1.00 0.00 H new ATOM 0 HB3 LYS A 524 2.076 -10.088 14.809 1.00 0.00 H new ATOM 0 HG2 LYS A 524 1.270 -8.175 15.831 1.00 0.00 H new ATOM 0 HG3 LYS A 524 -0.371 -8.780 15.933 1.00 0.00 H new ATOM 0 HD2 LYS A 524 0.322 -10.368 17.721 1.00 0.00 H new ATOM 0 HD3 LYS A 524 1.967 -9.772 17.616 1.00 0.00 H new ATOM 0 HE2 LYS A 524 -0.234 -7.772 18.068 1.00 0.00 H new ATOM 0 HE3 LYS A 524 0.225 -8.806 19.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 524 1.481 -6.751 19.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 524 2.523 -8.066 19.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 524 2.078 -7.064 17.858 1.00 0.00 H new ATOM 1477 N VAL A 525 -0.228 -7.871 13.066 1.00 0.00 N ATOM 1478 CA VAL A 525 0.025 -6.651 12.311 1.00 0.00 C ATOM 1479 C VAL A 525 0.523 -5.534 13.221 1.00 0.00 C ATOM 1480 O VAL A 525 0.168 -5.473 14.399 1.00 0.00 O ATOM 1481 CB VAL A 525 -1.241 -6.172 11.576 1.00 0.00 C ATOM 1482 CG1 VAL A 525 -0.998 -4.825 10.913 1.00 0.00 C ATOM 1483 CG2 VAL A 525 -1.686 -7.207 10.553 1.00 0.00 C ATOM 0 H VAL A 525 -1.045 -7.828 13.675 1.00 0.00 H new ATOM 0 HA VAL A 525 0.795 -6.888 11.577 1.00 0.00 H new ATOM 0 HB VAL A 525 -2.040 -6.050 12.307 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -1.904 -4.504 10.399 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -0.731 -4.089 11.671 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -0.185 -4.915 10.193 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -2.582 -6.853 10.043 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -0.891 -7.363 9.824 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -1.905 -8.148 11.059 1.00 0.00 H new ATOM 1493 N VAL A 526 1.348 -4.651 12.668 1.00 0.00 N ATOM 1494 CA VAL A 526 1.895 -3.534 13.430 1.00 0.00 C ATOM 1495 C VAL A 526 1.889 -2.251 12.606 1.00 0.00 C ATOM 1496 O VAL A 526 2.662 -2.106 11.660 1.00 0.00 O ATOM 1497 CB VAL A 526 3.333 -3.824 13.897 1.00 0.00 C ATOM 1498 CG1 VAL A 526 3.916 -2.616 14.616 1.00 0.00 C ATOM 1499 CG2 VAL A 526 3.364 -5.053 14.793 1.00 0.00 C ATOM 0 H VAL A 526 1.652 -4.687 11.695 1.00 0.00 H new ATOM 0 HA VAL A 526 1.256 -3.404 14.304 1.00 0.00 H new ATOM 0 HB VAL A 526 3.947 -4.026 13.019 1.00 0.00 H new ATOM 0 HG11 VAL A 526 4.933 -2.840 14.939 1.00 0.00 H new ATOM 0 HG12 VAL A 526 3.930 -1.762 13.939 1.00 0.00 H new ATOM 0 HG13 VAL A 526 3.303 -2.380 15.486 1.00 0.00 H new ATOM 0 HG21 VAL A 526 4.388 -5.244 15.114 1.00 0.00 H new ATOM 0 HG22 VAL A 526 2.736 -4.882 15.667 1.00 0.00 H new ATOM 0 HG23 VAL A 526 2.990 -5.915 14.241 1.00 0.00 H new ATOM 1509 N ALA A 527 1.011 -1.323 12.972 1.00 0.00 N ATOM 1510 CA ALA A 527 0.906 -0.051 12.268 1.00 0.00 C ATOM 1511 C ALA A 527 1.717 1.033 12.970 1.00 0.00 C ATOM 1512 O ALA A 527 1.646 1.182 14.189 1.00 0.00 O ATOM 1513 CB ALA A 527 -0.551 0.369 12.152 1.00 0.00 C ATOM 0 H ALA A 527 0.362 -1.428 13.752 1.00 0.00 H new ATOM 0 HA ALA A 527 1.315 -0.183 11.266 1.00 0.00 H new ATOM 0 HB1 ALA A 527 -0.614 1.321 11.624 1.00 0.00 H new ATOM 0 HB2 ALA A 527 -1.106 -0.390 11.600 1.00 0.00 H new ATOM 0 HB3 ALA A 527 -0.979 0.478 13.149 1.00 0.00 H new ATOM 1519 N GLU A 528 2.487 1.788 12.192 1.00 0.00 N ATOM 1520 CA GLU A 528 3.312 2.857 12.741 1.00 0.00 C ATOM 1521 C GLU A 528 3.293 4.081 11.829 1.00 0.00 C ATOM 1522 O GLU A 528 2.719 4.050 10.740 1.00 0.00 O ATOM 1523 CB GLU A 528 4.750 2.374 12.934 1.00 0.00 C ATOM 1524 CG GLU A 528 4.871 1.180 13.866 1.00 0.00 C ATOM 1525 CD GLU A 528 4.458 1.506 15.288 1.00 0.00 C ATOM 1526 OE1 GLU A 528 4.638 2.670 15.706 1.00 0.00 O ATOM 1527 OE2 GLU A 528 3.956 0.599 15.984 1.00 0.00 O ATOM 0 H GLU A 528 2.556 1.679 11.180 1.00 0.00 H new ATOM 0 HA GLU A 528 2.899 3.140 13.709 1.00 0.00 H new ATOM 0 HB2 GLU A 528 5.169 2.110 11.963 1.00 0.00 H new ATOM 0 HB3 GLU A 528 5.350 3.194 13.328 1.00 0.00 H new ATOM 0 HG2 GLU A 528 4.252 0.366 13.489 1.00 0.00 H new ATOM 0 HG3 GLU A 528 5.901 0.825 13.863 1.00 0.00 H new ATOM 1534 N VAL A 529 3.925 5.159 12.283 1.00 0.00 N ATOM 1535 CA VAL A 529 3.982 6.394 11.509 1.00 0.00 C ATOM 1536 C VAL A 529 5.292 6.498 10.737 1.00 0.00 C ATOM 1537 O VAL A 529 6.363 6.638 11.327 1.00 0.00 O ATOM 1538 CB VAL A 529 3.833 7.631 12.415 1.00 0.00 C ATOM 1539 CG1 VAL A 529 3.821 8.904 11.583 1.00 0.00 C ATOM 1540 CG2 VAL A 529 2.572 7.524 13.259 1.00 0.00 C ATOM 0 H VAL A 529 4.404 5.202 13.182 1.00 0.00 H new ATOM 0 HA VAL A 529 3.150 6.366 10.805 1.00 0.00 H new ATOM 0 HB VAL A 529 4.690 7.673 13.087 1.00 0.00 H new ATOM 0 HG11 VAL A 529 3.715 9.767 12.240 1.00 0.00 H new ATOM 0 HG12 VAL A 529 4.755 8.984 11.027 1.00 0.00 H new ATOM 0 HG13 VAL A 529 2.984 8.875 10.885 1.00 0.00 H new ATOM 0 HG21 VAL A 529 2.483 8.406 13.893 1.00 0.00 H new ATOM 0 HG22 VAL A 529 1.702 7.457 12.606 1.00 0.00 H new ATOM 0 HG23 VAL A 529 2.627 6.632 13.884 1.00 0.00 H new ATOM 1550 N TYR A 530 5.198 6.429 9.413 1.00 0.00 N ATOM 1551 CA TYR A 530 6.377 6.514 8.559 1.00 0.00 C ATOM 1552 C TYR A 530 6.864 7.955 8.443 1.00 0.00 C ATOM 1553 O TYR A 530 6.202 8.884 8.905 1.00 0.00 O ATOM 1554 CB TYR A 530 6.066 5.956 7.169 1.00 0.00 C ATOM 1555 CG TYR A 530 7.297 5.701 6.329 1.00 0.00 C ATOM 1556 CD1 TYR A 530 8.290 4.831 6.763 1.00 0.00 C ATOM 1557 CD2 TYR A 530 7.466 6.329 5.101 1.00 0.00 C ATOM 1558 CE1 TYR A 530 9.417 4.596 5.999 1.00 0.00 C ATOM 1559 CE2 TYR A 530 8.589 6.099 4.330 1.00 0.00 C ATOM 1560 CZ TYR A 530 9.562 5.232 4.783 1.00 0.00 C ATOM 1561 OH TYR A 530 10.682 4.999 4.019 1.00 0.00 O ATOM 0 H TYR A 530 4.319 6.315 8.909 1.00 0.00 H new ATOM 0 HA TYR A 530 7.168 5.918 9.015 1.00 0.00 H new ATOM 0 HB2 TYR A 530 5.511 5.024 7.277 1.00 0.00 H new ATOM 0 HB3 TYR A 530 5.416 6.655 6.643 1.00 0.00 H new ATOM 0 HD1 TYR A 530 8.179 4.330 7.713 1.00 0.00 H new ATOM 0 HD2 TYR A 530 6.707 7.008 4.743 1.00 0.00 H new ATOM 0 HE1 TYR A 530 10.180 3.918 6.352 1.00 0.00 H new ATOM 0 HE2 TYR A 530 8.705 6.595 3.378 1.00 0.00 H new ATOM 0 HH TYR A 530 10.541 4.202 3.467 1.00 0.00 H new