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 19:sc= 1.03 USER MOD Set 1.2: A 508 THR OG1 : rot -118:sc= 1.21 USER MOD Single : A 444 SER OG : rot 156:sc= 0.351 USER MOD Single : A 447 MET CE :methyl 160:sc= -3.29! (180deg=-4.08!) USER MOD Single : A 451 ASN :FLIP amide:sc= -0.748 F(o=-1.3!,f=-0.75) USER MOD Single : A 452 MET CE :methyl 139:sc= -1.7! (180deg=-4.49!) USER MOD Single : A 456 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 467 THR OG1 : rot 84:sc= 1.24 USER MOD Single : A 470 CYS SG : rot 80:sc= -1.32 USER MOD Single : A 472 LYS NZ :NH3+ 172:sc= 0.501 (180deg=0.48) USER MOD Single : A 477 ASN : amide:sc= 0.346 K(o=0.35,f=-0.73) USER MOD Single : A 482 TYR OH : rot 180:sc= 0 USER MOD Single : A 483 GLN : amide:sc=-0.00912 X(o=-0.0091,f=0) USER MOD Single : A 485 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 497 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 503 SER OG : rot 180:sc= -0.0146 USER MOD Single : A 506 SER OG : rot 180:sc= 0 USER MOD Single : A 509 HIS : no HD1:sc= -0.0536 X(o=-0.054,f=0.002) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 513 GLN : amide:sc= -0.0145 K(o=-0.014,f=-1.3!) USER MOD Single : A 516 ASN : amide:sc= -0.968! C(o=-0.97!,f=-1.3!) 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 0.657 13.531 10.905 1.00 0.00 N ATOM 205 CA SER A 444 1.094 12.640 9.836 1.00 0.00 C ATOM 206 C SER A 444 -0.099 11.946 9.185 1.00 0.00 C ATOM 207 O SER A 444 -1.150 11.781 9.805 1.00 0.00 O ATOM 208 CB SER A 444 2.072 11.597 10.380 1.00 0.00 C ATOM 209 OG SER A 444 2.977 11.173 9.375 1.00 0.00 O ATOM 0 HA SER A 444 1.599 13.241 9.080 1.00 0.00 H new ATOM 0 HB2 SER A 444 2.626 12.017 11.219 1.00 0.00 H new ATOM 0 HB3 SER A 444 1.518 10.739 10.761 1.00 0.00 H new ATOM 0 HG SER A 444 3.795 10.832 9.794 1.00 0.00 H new ATOM 215 N THR A 445 0.073 11.539 7.931 1.00 0.00 N ATOM 216 CA THR A 445 -0.988 10.863 7.195 1.00 0.00 C ATOM 217 C THR A 445 -0.468 9.600 6.517 1.00 0.00 C ATOM 218 O THR A 445 -1.180 8.962 5.742 1.00 0.00 O ATOM 219 CB THR A 445 -1.608 11.786 6.130 1.00 0.00 C ATOM 220 OG1 THR A 445 -2.726 11.139 5.511 1.00 0.00 O ATOM 221 CG2 THR A 445 -0.581 12.157 5.071 1.00 0.00 C ATOM 0 H THR A 445 0.937 11.666 7.404 1.00 0.00 H new ATOM 0 HA THR A 445 -1.754 10.593 7.921 1.00 0.00 H new ATOM 0 HB THR A 445 -1.944 12.698 6.623 1.00 0.00 H new ATOM 0 HG1 THR A 445 -3.041 10.410 6.085 1.00 0.00 H new ATOM 0 HG21 THR A 445 -1.042 12.809 4.330 1.00 0.00 H new ATOM 0 HG22 THR A 445 0.255 12.675 5.541 1.00 0.00 H new ATOM 0 HG23 THR A 445 -0.219 11.252 4.583 1.00 0.00 H new ATOM 229 N VAL A 446 0.777 9.244 6.815 1.00 0.00 N ATOM 230 CA VAL A 446 1.392 8.056 6.235 1.00 0.00 C ATOM 231 C VAL A 446 1.559 6.959 7.279 1.00 0.00 C ATOM 232 O VAL A 446 2.364 7.083 8.202 1.00 0.00 O ATOM 233 CB VAL A 446 2.767 8.379 5.620 1.00 0.00 C ATOM 234 CG1 VAL A 446 3.288 7.192 4.823 1.00 0.00 C ATOM 235 CG2 VAL A 446 2.682 9.622 4.748 1.00 0.00 C ATOM 0 H VAL A 446 1.380 9.761 7.455 1.00 0.00 H new ATOM 0 HA VAL A 446 0.724 7.706 5.448 1.00 0.00 H new ATOM 0 HB VAL A 446 3.470 8.579 6.429 1.00 0.00 H new ATOM 0 HG11 VAL A 446 4.260 7.439 4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 446 3.389 6.328 5.480 1.00 0.00 H new ATOM 0 HG13 VAL A 446 2.589 6.957 4.021 1.00 0.00 H new ATOM 0 HG21 VAL A 446 3.662 9.835 4.322 1.00 0.00 H new ATOM 0 HG22 VAL A 446 1.966 9.454 3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 446 2.357 10.469 5.352 1.00 0.00 H new ATOM 245 N MET A 447 0.793 5.883 7.127 1.00 0.00 N ATOM 246 CA MET A 447 0.857 4.762 8.057 1.00 0.00 C ATOM 247 C MET A 447 1.704 3.629 7.485 1.00 0.00 C ATOM 248 O MET A 447 1.498 3.198 6.350 1.00 0.00 O ATOM 249 CB MET A 447 -0.550 4.252 8.374 1.00 0.00 C ATOM 250 CG MET A 447 -0.568 2.872 9.009 1.00 0.00 C ATOM 251 SD MET A 447 -2.240 2.245 9.261 1.00 0.00 S ATOM 252 CE MET A 447 -2.576 1.523 7.657 1.00 0.00 C ATOM 0 H MET A 447 0.121 5.764 6.369 1.00 0.00 H new ATOM 0 HA MET A 447 1.324 5.113 8.977 1.00 0.00 H new ATOM 0 HB2 MET A 447 -1.041 4.958 9.044 1.00 0.00 H new ATOM 0 HB3 MET A 447 -1.134 4.227 7.454 1.00 0.00 H new ATOM 0 HG2 MET A 447 -0.015 2.178 8.376 1.00 0.00 H new ATOM 0 HG3 MET A 447 -0.050 2.911 9.967 1.00 0.00 H new ATOM 0 HE1 MET A 447 -3.389 0.803 7.745 1.00 0.00 H new ATOM 0 HE2 MET A 447 -2.861 2.308 6.957 1.00 0.00 H new ATOM 0 HE3 MET A 447 -1.682 1.018 7.291 1.00 0.00 H new ATOM 262 N VAL A 448 2.658 3.151 8.278 1.00 0.00 N ATOM 263 CA VAL A 448 3.535 2.067 7.850 1.00 0.00 C ATOM 264 C VAL A 448 3.230 0.781 8.609 1.00 0.00 C ATOM 265 O VAL A 448 3.382 0.716 9.830 1.00 0.00 O ATOM 266 CB VAL A 448 5.018 2.432 8.055 1.00 0.00 C ATOM 267 CG1 VAL A 448 5.249 2.957 9.464 1.00 0.00 C ATOM 268 CG2 VAL A 448 5.905 1.229 7.773 1.00 0.00 C ATOM 0 H VAL A 448 2.843 3.497 9.219 1.00 0.00 H new ATOM 0 HA VAL A 448 3.350 1.910 6.787 1.00 0.00 H new ATOM 0 HB VAL A 448 5.281 3.222 7.352 1.00 0.00 H new ATOM 0 HG11 VAL A 448 6.302 3.210 9.590 1.00 0.00 H new ATOM 0 HG12 VAL A 448 4.641 3.847 9.625 1.00 0.00 H new ATOM 0 HG13 VAL A 448 4.970 2.191 10.188 1.00 0.00 H new ATOM 0 HG21 VAL A 448 6.949 1.504 7.922 1.00 0.00 H new ATOM 0 HG22 VAL A 448 5.643 0.417 8.451 1.00 0.00 H new ATOM 0 HG23 VAL A 448 5.759 0.903 6.743 1.00 0.00 H new ATOM 278 N LEU A 449 2.799 -0.242 7.879 1.00 0.00 N ATOM 279 CA LEU A 449 2.472 -1.529 8.483 1.00 0.00 C ATOM 280 C LEU A 449 3.662 -2.481 8.413 1.00 0.00 C ATOM 281 O LEU A 449 4.354 -2.552 7.398 1.00 0.00 O ATOM 282 CB LEU A 449 1.264 -2.152 7.780 1.00 0.00 C ATOM 283 CG LEU A 449 0.058 -1.235 7.580 1.00 0.00 C ATOM 284 CD1 LEU A 449 -0.953 -1.879 6.643 1.00 0.00 C ATOM 285 CD2 LEU A 449 -0.588 -0.903 8.917 1.00 0.00 C ATOM 0 H LEU A 449 2.668 -0.205 6.868 1.00 0.00 H new ATOM 0 HA LEU A 449 2.227 -1.359 9.531 1.00 0.00 H new ATOM 0 HB2 LEU A 449 1.585 -2.516 6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 449 0.943 -3.021 8.354 1.00 0.00 H new ATOM 0 HG LEU A 449 0.404 -0.306 7.126 1.00 0.00 H new ATOM 0 HD11 LEU A 449 -1.805 -1.212 6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 449 -0.486 -2.065 5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 449 -1.294 -2.823 7.068 1.00 0.00 H new ATOM 0 HD21 LEU A 449 -1.445 -0.249 8.755 1.00 0.00 H new ATOM 0 HD22 LEU A 449 -0.919 -1.823 9.399 1.00 0.00 H new ATOM 0 HD23 LEU A 449 0.137 -0.399 9.556 1.00 0.00 H new ATOM 297 N ARG A 450 3.893 -3.212 9.499 1.00 0.00 N ATOM 298 CA ARG A 450 4.998 -4.160 9.561 1.00 0.00 C ATOM 299 C ARG A 450 4.520 -5.521 10.060 1.00 0.00 C ATOM 300 O ARG A 450 3.704 -5.605 10.977 1.00 0.00 O ATOM 301 CB ARG A 450 6.103 -3.629 10.475 1.00 0.00 C ATOM 302 CG ARG A 450 6.377 -2.144 10.300 1.00 0.00 C ATOM 303 CD ARG A 450 7.473 -1.666 11.239 1.00 0.00 C ATOM 304 NE ARG A 450 6.955 -1.344 12.566 1.00 0.00 N ATOM 305 CZ ARG A 450 7.706 -1.318 13.662 1.00 0.00 C ATOM 306 NH1 ARG A 450 9.001 -1.593 13.589 1.00 0.00 N ATOM 307 NH2 ARG A 450 7.161 -1.017 14.834 1.00 0.00 N ATOM 0 H ARG A 450 3.329 -3.165 10.348 1.00 0.00 H new ATOM 0 HA ARG A 450 5.396 -4.281 8.554 1.00 0.00 H new ATOM 0 HB2 ARG A 450 5.828 -3.819 11.512 1.00 0.00 H new ATOM 0 HB3 ARG A 450 7.021 -4.184 10.282 1.00 0.00 H new ATOM 0 HG2 ARG A 450 6.668 -1.946 9.268 1.00 0.00 H new ATOM 0 HG3 ARG A 450 5.464 -1.580 10.488 1.00 0.00 H new ATOM 0 HD2 ARG A 450 8.238 -2.438 11.326 1.00 0.00 H new ATOM 0 HD3 ARG A 450 7.955 -0.785 10.815 1.00 0.00 H new ATOM 0 HE ARG A 450 5.962 -1.127 12.656 1.00 0.00 H new ATOM 0 HH11 ARG A 450 9.423 -1.825 12.690 1.00 0.00 H new ATOM 0 HH12 ARG A 450 9.575 -1.572 14.432 1.00 0.00 H new ATOM 0 HH21 ARG A 450 6.165 -0.805 14.894 1.00 0.00 H new ATOM 0 HH22 ARG A 450 7.738 -0.997 15.675 1.00 0.00 H new ATOM 321 N ASN A 451 5.034 -6.583 9.449 1.00 0.00 N ATOM 322 CA ASN A 451 4.658 -7.940 9.831 1.00 0.00 C ATOM 323 C ASN A 451 3.215 -8.237 9.435 1.00 0.00 C ATOM 324 O ASN A 451 2.428 -8.730 10.243 1.00 0.00 O ATOM 325 CB ASN A 451 4.837 -8.136 11.338 1.00 0.00 C ATOM 326 CG ASN A 451 5.115 -9.581 11.704 1.00 0.00 C ATOM 327 OD1 ASN A 451 4.061 -10.384 11.786 1.00 0.00 O flip ATOM 328 ND2 ASN A 451 6.265 -9.970 11.910 1.00 0.00 N flip ATOM 0 H ASN A 451 5.711 -6.531 8.688 1.00 0.00 H new ATOM 0 HA ASN A 451 5.311 -8.634 9.301 1.00 0.00 H new ATOM 0 HB2 ASN A 451 5.659 -7.511 11.688 1.00 0.00 H new ATOM 0 HB3 ASN A 451 3.938 -7.800 11.855 1.00 0.00 H new ATOM 0 HD21 ASN A 451 7.045 -9.317 11.836 1.00 0.00 H new ATOM 0 HD22 ASN A 451 6.437 -10.945 12.155 1.00 0.00 H new ATOM 335 N MET A 452 2.875 -7.934 8.187 1.00 0.00 N ATOM 336 CA MET A 452 1.527 -8.170 7.683 1.00 0.00 C ATOM 337 C MET A 452 1.461 -9.475 6.897 1.00 0.00 C ATOM 338 O MET A 452 0.742 -10.402 7.272 1.00 0.00 O ATOM 339 CB MET A 452 1.078 -7.005 6.799 1.00 0.00 C ATOM 340 CG MET A 452 -0.395 -7.056 6.427 1.00 0.00 C ATOM 341 SD MET A 452 -0.793 -6.001 5.020 1.00 0.00 S ATOM 342 CE MET A 452 -2.553 -6.297 4.863 1.00 0.00 C ATOM 0 H MET A 452 3.514 -7.524 7.506 1.00 0.00 H new ATOM 0 HA MET A 452 0.855 -8.247 8.538 1.00 0.00 H new ATOM 0 HB2 MET A 452 1.281 -6.068 7.317 1.00 0.00 H new ATOM 0 HB3 MET A 452 1.675 -7.001 5.887 1.00 0.00 H new ATOM 0 HG2 MET A 452 -0.672 -8.084 6.195 1.00 0.00 H new ATOM 0 HG3 MET A 452 -0.993 -6.751 7.286 1.00 0.00 H new ATOM 0 HE1 MET A 452 -3.062 -5.358 4.648 1.00 0.00 H new ATOM 0 HE2 MET A 452 -2.732 -7.002 4.051 1.00 0.00 H new ATOM 0 HE3 MET A 452 -2.937 -6.712 5.795 1.00 0.00 H new ATOM 352 N VAL A 453 2.216 -9.542 5.804 1.00 0.00 N ATOM 353 CA VAL A 453 2.243 -10.734 4.966 1.00 0.00 C ATOM 354 C VAL A 453 3.655 -11.021 4.465 1.00 0.00 C ATOM 355 O VAL A 453 4.357 -10.120 4.006 1.00 0.00 O ATOM 356 CB VAL A 453 1.300 -10.591 3.756 1.00 0.00 C ATOM 357 CG1 VAL A 453 -0.145 -10.810 4.177 1.00 0.00 C ATOM 358 CG2 VAL A 453 1.474 -9.228 3.104 1.00 0.00 C ATOM 0 H VAL A 453 2.817 -8.784 5.479 1.00 0.00 H new ATOM 0 HA VAL A 453 1.904 -11.565 5.585 1.00 0.00 H new ATOM 0 HB VAL A 453 1.559 -11.355 3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -0.797 -10.705 3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -0.255 -11.811 4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -0.421 -10.071 4.929 1.00 0.00 H new ATOM 0 HG21 VAL A 453 0.800 -9.144 2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 453 1.243 -8.446 3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 453 2.504 -9.115 2.765 1.00 0.00 H new ATOM 368 N ASP A 454 4.063 -12.281 4.556 1.00 0.00 N ATOM 369 CA ASP A 454 5.391 -12.689 4.110 1.00 0.00 C ATOM 370 C ASP A 454 5.586 -12.380 2.629 1.00 0.00 C ATOM 371 O ASP A 454 4.628 -12.229 1.870 1.00 0.00 O ATOM 372 CB ASP A 454 5.602 -14.182 4.365 1.00 0.00 C ATOM 373 CG ASP A 454 6.120 -14.464 5.762 1.00 0.00 C ATOM 374 OD1 ASP A 454 7.325 -14.245 6.002 1.00 0.00 O ATOM 375 OD2 ASP A 454 5.319 -14.904 6.614 1.00 0.00 O ATOM 0 H ASP A 454 3.494 -13.038 4.934 1.00 0.00 H new ATOM 0 HA ASP A 454 6.128 -12.124 4.680 1.00 0.00 H new ATOM 0 HB2 ASP A 454 4.660 -14.710 4.217 1.00 0.00 H new ATOM 0 HB3 ASP A 454 6.307 -14.576 3.633 1.00 0.00 H new ATOM 380 N PRO A 455 6.855 -12.282 2.207 1.00 0.00 N ATOM 381 CA PRO A 455 7.205 -11.989 0.813 1.00 0.00 C ATOM 382 C PRO A 455 6.880 -13.149 -0.122 1.00 0.00 C ATOM 383 O PRO A 455 7.064 -13.052 -1.335 1.00 0.00 O ATOM 384 CB PRO A 455 8.717 -11.754 0.869 1.00 0.00 C ATOM 385 CG PRO A 455 9.174 -12.517 2.065 1.00 0.00 C ATOM 386 CD PRO A 455 8.046 -12.449 3.056 1.00 0.00 C ATOM 0 HA PRO A 455 6.643 -11.142 0.421 1.00 0.00 H new ATOM 0 HB2 PRO A 455 9.207 -12.109 -0.038 1.00 0.00 H new ATOM 0 HB3 PRO A 455 8.950 -10.693 0.963 1.00 0.00 H new ATOM 0 HG2 PRO A 455 9.403 -13.550 1.805 1.00 0.00 H new ATOM 0 HG3 PRO A 455 10.084 -12.084 2.480 1.00 0.00 H new ATOM 0 HD2 PRO A 455 7.986 -13.355 3.659 1.00 0.00 H new ATOM 0 HD3 PRO A 455 8.168 -11.614 3.746 1.00 0.00 H new ATOM 394 N LYS A 456 6.396 -14.246 0.450 1.00 0.00 N ATOM 395 CA LYS A 456 6.044 -15.426 -0.332 1.00 0.00 C ATOM 396 C LYS A 456 4.611 -15.328 -0.847 1.00 0.00 C ATOM 397 O LYS A 456 4.224 -16.044 -1.771 1.00 0.00 O ATOM 398 CB LYS A 456 6.208 -16.691 0.513 1.00 0.00 C ATOM 399 CG LYS A 456 5.196 -16.805 1.641 1.00 0.00 C ATOM 400 CD LYS A 456 5.050 -18.241 2.115 1.00 0.00 C ATOM 401 CE LYS A 456 6.228 -18.666 2.978 1.00 0.00 C ATOM 402 NZ LYS A 456 6.128 -20.093 3.390 1.00 0.00 N ATOM 0 H LYS A 456 6.238 -14.343 1.453 1.00 0.00 H new ATOM 0 HA LYS A 456 6.717 -15.479 -1.188 1.00 0.00 H new ATOM 0 HB2 LYS A 456 6.119 -17.564 -0.134 1.00 0.00 H new ATOM 0 HB3 LYS A 456 7.213 -16.708 0.935 1.00 0.00 H new ATOM 0 HG2 LYS A 456 5.506 -16.175 2.475 1.00 0.00 H new ATOM 0 HG3 LYS A 456 4.229 -16.432 1.303 1.00 0.00 H new ATOM 0 HD2 LYS A 456 4.125 -18.346 2.683 1.00 0.00 H new ATOM 0 HD3 LYS A 456 4.971 -18.904 1.253 1.00 0.00 H new ATOM 0 HE2 LYS A 456 7.156 -18.511 2.427 1.00 0.00 H new ATOM 0 HE3 LYS A 456 6.275 -18.034 3.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 6.949 -20.343 3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 5.255 -20.236 3.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 6.109 -20.698 2.544 1.00 0.00 H new ATOM 416 N ASP A 457 3.830 -14.438 -0.246 1.00 0.00 N ATOM 417 CA ASP A 457 2.441 -14.245 -0.647 1.00 0.00 C ATOM 418 C ASP A 457 2.304 -13.038 -1.570 1.00 0.00 C ATOM 419 O ASP A 457 1.194 -12.606 -1.882 1.00 0.00 O ATOM 420 CB ASP A 457 1.553 -14.063 0.585 1.00 0.00 C ATOM 421 CG ASP A 457 1.167 -15.385 1.220 1.00 0.00 C ATOM 422 OD1 ASP A 457 0.580 -16.233 0.516 1.00 0.00 O ATOM 423 OD2 ASP A 457 1.452 -15.571 2.422 1.00 0.00 O ATOM 0 H ASP A 457 4.135 -13.838 0.521 1.00 0.00 H new ATOM 0 HA ASP A 457 2.119 -15.134 -1.190 1.00 0.00 H new ATOM 0 HB2 ASP A 457 2.076 -13.450 1.319 1.00 0.00 H new ATOM 0 HB3 ASP A 457 0.650 -13.522 0.302 1.00 0.00 H new ATOM 428 N ILE A 458 3.439 -12.499 -2.002 1.00 0.00 N ATOM 429 CA ILE A 458 3.445 -11.343 -2.890 1.00 0.00 C ATOM 430 C ILE A 458 2.749 -11.658 -4.209 1.00 0.00 C ATOM 431 O ILE A 458 3.292 -12.368 -5.056 1.00 0.00 O ATOM 432 CB ILE A 458 4.880 -10.865 -3.181 1.00 0.00 C ATOM 433 CG1 ILE A 458 5.595 -10.503 -1.878 1.00 0.00 C ATOM 434 CG2 ILE A 458 4.859 -9.674 -4.129 1.00 0.00 C ATOM 435 CD1 ILE A 458 4.939 -9.367 -1.124 1.00 0.00 C ATOM 0 H ILE A 458 4.366 -12.844 -1.752 1.00 0.00 H new ATOM 0 HA ILE A 458 2.902 -10.549 -2.377 1.00 0.00 H new ATOM 0 HB ILE A 458 5.428 -11.677 -3.660 1.00 0.00 H new ATOM 0 HG12 ILE A 458 5.629 -11.383 -1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 458 6.627 -10.232 -2.102 1.00 0.00 H new ATOM 0 HG21 ILE A 458 5.880 -9.347 -4.325 1.00 0.00 H new ATOM 0 HG22 ILE A 458 4.384 -9.963 -5.066 1.00 0.00 H new ATOM 0 HG23 ILE A 458 4.298 -8.857 -3.675 1.00 0.00 H new ATOM 0 HD11 ILE A 458 5.499 -9.165 -0.211 1.00 0.00 H new ATOM 0 HD12 ILE A 458 4.928 -8.474 -1.749 1.00 0.00 H new ATOM 0 HD13 ILE A 458 3.916 -9.643 -0.868 1.00 0.00 H new ATOM 447 N ASP A 459 1.543 -11.126 -4.377 1.00 0.00 N ATOM 448 CA ASP A 459 0.773 -11.348 -5.595 1.00 0.00 C ATOM 449 C ASP A 459 0.110 -10.055 -6.062 1.00 0.00 C ATOM 450 O ASP A 459 0.139 -9.043 -5.362 1.00 0.00 O ATOM 451 CB ASP A 459 -0.288 -12.425 -5.364 1.00 0.00 C ATOM 452 CG ASP A 459 0.264 -13.634 -4.635 1.00 0.00 C ATOM 453 OD1 ASP A 459 1.274 -14.200 -5.105 1.00 0.00 O ATOM 454 OD2 ASP A 459 -0.313 -14.015 -3.596 1.00 0.00 O ATOM 0 H ASP A 459 1.078 -10.538 -3.685 1.00 0.00 H new ATOM 0 HA ASP A 459 1.459 -11.685 -6.372 1.00 0.00 H new ATOM 0 HB2 ASP A 459 -1.112 -12.002 -4.789 1.00 0.00 H new ATOM 0 HB3 ASP A 459 -0.698 -12.739 -6.324 1.00 0.00 H new ATOM 459 N ASP A 460 -0.485 -10.097 -7.249 1.00 0.00 N ATOM 460 CA ASP A 460 -1.156 -8.930 -7.810 1.00 0.00 C ATOM 461 C ASP A 460 -2.408 -8.586 -7.010 1.00 0.00 C ATOM 462 O ASP A 460 -2.619 -7.433 -6.633 1.00 0.00 O ATOM 463 CB ASP A 460 -1.523 -9.180 -9.273 1.00 0.00 C ATOM 464 CG ASP A 460 -2.391 -8.079 -9.849 1.00 0.00 C ATOM 465 OD1 ASP A 460 -3.520 -7.890 -9.348 1.00 0.00 O ATOM 466 OD2 ASP A 460 -1.942 -7.405 -10.799 1.00 0.00 O ATOM 0 H ASP A 460 -0.516 -10.927 -7.841 1.00 0.00 H new ATOM 0 HA ASP A 460 -0.469 -8.086 -7.755 1.00 0.00 H new ATOM 0 HB2 ASP A 460 -0.611 -9.266 -9.864 1.00 0.00 H new ATOM 0 HB3 ASP A 460 -2.047 -10.132 -9.355 1.00 0.00 H new ATOM 471 N ASP A 461 -3.236 -9.593 -6.755 1.00 0.00 N ATOM 472 CA ASP A 461 -4.468 -9.397 -6.000 1.00 0.00 C ATOM 473 C ASP A 461 -4.177 -8.783 -4.634 1.00 0.00 C ATOM 474 O ASP A 461 -4.989 -8.031 -4.094 1.00 0.00 O ATOM 475 CB ASP A 461 -5.203 -10.728 -5.828 1.00 0.00 C ATOM 476 CG ASP A 461 -4.334 -11.789 -5.181 1.00 0.00 C ATOM 477 OD1 ASP A 461 -4.165 -11.744 -3.945 1.00 0.00 O ATOM 478 OD2 ASP A 461 -3.824 -12.664 -5.912 1.00 0.00 O ATOM 0 H ASP A 461 -3.076 -10.553 -7.060 1.00 0.00 H new ATOM 0 HA ASP A 461 -5.102 -8.710 -6.560 1.00 0.00 H new ATOM 0 HB2 ASP A 461 -6.094 -10.572 -5.220 1.00 0.00 H new ATOM 0 HB3 ASP A 461 -5.540 -11.082 -6.802 1.00 0.00 H new ATOM 483 N LEU A 462 -3.014 -9.108 -4.081 1.00 0.00 N ATOM 484 CA LEU A 462 -2.615 -8.589 -2.777 1.00 0.00 C ATOM 485 C LEU A 462 -2.757 -7.071 -2.729 1.00 0.00 C ATOM 486 O LEU A 462 -3.607 -6.540 -2.014 1.00 0.00 O ATOM 487 CB LEU A 462 -1.172 -8.988 -2.467 1.00 0.00 C ATOM 488 CG LEU A 462 -0.689 -8.707 -1.044 1.00 0.00 C ATOM 489 CD1 LEU A 462 -1.390 -9.622 -0.052 1.00 0.00 C ATOM 490 CD2 LEU A 462 0.821 -8.873 -0.950 1.00 0.00 C ATOM 0 H LEU A 462 -2.330 -9.728 -4.515 1.00 0.00 H new ATOM 0 HA LEU A 462 -3.274 -9.021 -2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 462 -1.061 -10.054 -2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 462 -0.514 -8.466 -3.162 1.00 0.00 H new ATOM 0 HG LEU A 462 -0.937 -7.675 -0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 462 -1.034 -9.408 0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 462 -2.466 -9.454 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 462 -1.174 -10.661 -0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 462 1.147 -8.669 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 462 1.092 -9.893 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 462 1.307 -8.176 -1.632 1.00 0.00 H new ATOM 502 N GLU A 463 -1.921 -6.379 -3.496 1.00 0.00 N ATOM 503 CA GLU A 463 -1.954 -4.922 -3.541 1.00 0.00 C ATOM 504 C GLU A 463 -3.384 -4.406 -3.399 1.00 0.00 C ATOM 505 O GLU A 463 -3.640 -3.449 -2.670 1.00 0.00 O ATOM 506 CB GLU A 463 -1.346 -4.416 -4.851 1.00 0.00 C ATOM 507 CG GLU A 463 -1.389 -2.904 -4.998 1.00 0.00 C ATOM 508 CD GLU A 463 -0.338 -2.381 -5.957 1.00 0.00 C ATOM 509 OE1 GLU A 463 0.840 -2.769 -5.815 1.00 0.00 O ATOM 510 OE2 GLU A 463 -0.694 -1.583 -6.850 1.00 0.00 O ATOM 0 H GLU A 463 -1.213 -6.804 -4.095 1.00 0.00 H new ATOM 0 HA GLU A 463 -1.364 -4.545 -2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 463 -0.310 -4.749 -4.914 1.00 0.00 H new ATOM 0 HB3 GLU A 463 -1.878 -4.869 -5.688 1.00 0.00 H new ATOM 0 HG2 GLU A 463 -2.377 -2.605 -5.349 1.00 0.00 H new ATOM 0 HG3 GLU A 463 -1.245 -2.443 -4.021 1.00 0.00 H new ATOM 517 N GLY A 464 -4.311 -5.048 -4.102 1.00 0.00 N ATOM 518 CA GLY A 464 -5.703 -4.641 -4.042 1.00 0.00 C ATOM 519 C GLY A 464 -6.328 -4.911 -2.688 1.00 0.00 C ATOM 520 O GLY A 464 -7.008 -4.052 -2.129 1.00 0.00 O ATOM 0 H GLY A 464 -4.123 -5.843 -4.713 1.00 0.00 H new ATOM 0 HA2 GLY A 464 -5.777 -3.577 -4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 464 -6.266 -5.170 -4.811 1.00 0.00 H new ATOM 524 N GLU A 465 -6.098 -6.110 -2.160 1.00 0.00 N ATOM 525 CA GLU A 465 -6.646 -6.491 -0.864 1.00 0.00 C ATOM 526 C GLU A 465 -6.307 -5.449 0.198 1.00 0.00 C ATOM 527 O GLU A 465 -7.179 -4.995 0.939 1.00 0.00 O ATOM 528 CB GLU A 465 -6.109 -7.860 -0.441 1.00 0.00 C ATOM 529 CG GLU A 465 -6.958 -9.023 -0.926 1.00 0.00 C ATOM 530 CD GLU A 465 -8.142 -9.299 -0.020 1.00 0.00 C ATOM 531 OE1 GLU A 465 -7.935 -9.431 1.204 1.00 0.00 O ATOM 532 OE2 GLU A 465 -9.276 -9.383 -0.536 1.00 0.00 O ATOM 0 H GLU A 465 -5.536 -6.833 -2.610 1.00 0.00 H new ATOM 0 HA GLU A 465 -7.730 -6.548 -0.959 1.00 0.00 H new ATOM 0 HB2 GLU A 465 -5.095 -7.977 -0.823 1.00 0.00 H new ATOM 0 HB3 GLU A 465 -6.046 -7.896 0.647 1.00 0.00 H new ATOM 0 HG2 GLU A 465 -7.318 -8.810 -1.933 1.00 0.00 H new ATOM 0 HG3 GLU A 465 -6.339 -9.918 -0.991 1.00 0.00 H new ATOM 539 N VAL A 466 -5.033 -5.075 0.267 1.00 0.00 N ATOM 540 CA VAL A 466 -4.577 -4.087 1.237 1.00 0.00 C ATOM 541 C VAL A 466 -5.219 -2.728 0.979 1.00 0.00 C ATOM 542 O VAL A 466 -5.655 -2.048 1.909 1.00 0.00 O ATOM 543 CB VAL A 466 -3.045 -3.934 1.205 1.00 0.00 C ATOM 544 CG1 VAL A 466 -2.596 -2.849 2.173 1.00 0.00 C ATOM 545 CG2 VAL A 466 -2.371 -5.259 1.525 1.00 0.00 C ATOM 0 H VAL A 466 -4.298 -5.442 -0.338 1.00 0.00 H new ATOM 0 HA VAL A 466 -4.877 -4.447 2.221 1.00 0.00 H new ATOM 0 HB VAL A 466 -2.748 -3.635 0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -1.511 -2.755 2.137 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -3.052 -1.900 1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -2.904 -3.114 3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -1.289 -5.133 1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -2.673 -5.590 2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -2.668 -6.005 0.788 1.00 0.00 H new ATOM 555 N THR A 467 -5.273 -2.336 -0.290 1.00 0.00 N ATOM 556 CA THR A 467 -5.860 -1.058 -0.671 1.00 0.00 C ATOM 557 C THR A 467 -7.324 -0.979 -0.255 1.00 0.00 C ATOM 558 O THR A 467 -7.760 0.011 0.331 1.00 0.00 O ATOM 559 CB THR A 467 -5.757 -0.822 -2.190 1.00 0.00 C ATOM 560 OG1 THR A 467 -4.396 -0.958 -2.615 1.00 0.00 O ATOM 561 CG2 THR A 467 -6.274 0.560 -2.560 1.00 0.00 C ATOM 0 H THR A 467 -4.917 -2.886 -1.072 1.00 0.00 H new ATOM 0 HA THR A 467 -5.295 -0.284 -0.151 1.00 0.00 H new ATOM 0 HB THR A 467 -6.371 -1.568 -2.694 1.00 0.00 H new ATOM 0 HG1 THR A 467 -4.196 -1.904 -2.775 1.00 0.00 H new ATOM 0 HG21 THR A 467 -6.191 0.703 -3.637 1.00 0.00 H new ATOM 0 HG22 THR A 467 -7.318 0.650 -2.261 1.00 0.00 H new ATOM 0 HG23 THR A 467 -5.683 1.319 -2.047 1.00 0.00 H new ATOM 569 N GLU A 468 -8.079 -2.030 -0.560 1.00 0.00 N ATOM 570 CA GLU A 468 -9.495 -2.079 -0.217 1.00 0.00 C ATOM 571 C GLU A 468 -9.690 -2.042 1.296 1.00 0.00 C ATOM 572 O GLU A 468 -10.466 -1.239 1.813 1.00 0.00 O ATOM 573 CB GLU A 468 -10.140 -3.341 -0.794 1.00 0.00 C ATOM 574 CG GLU A 468 -10.115 -3.396 -2.313 1.00 0.00 C ATOM 575 CD GLU A 468 -10.520 -4.754 -2.853 1.00 0.00 C ATOM 576 OE1 GLU A 468 -11.736 -4.988 -3.016 1.00 0.00 O ATOM 577 OE2 GLU A 468 -9.622 -5.581 -3.113 1.00 0.00 O ATOM 0 H GLU A 468 -7.733 -2.859 -1.044 1.00 0.00 H new ATOM 0 HA GLU A 468 -9.977 -1.203 -0.650 1.00 0.00 H new ATOM 0 HB2 GLU A 468 -9.624 -4.216 -0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 468 -11.174 -3.399 -0.453 1.00 0.00 H new ATOM 0 HG2 GLU A 468 -10.786 -2.635 -2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 468 -9.113 -3.153 -2.665 1.00 0.00 H new ATOM 584 N GLU A 469 -8.979 -2.918 2.000 1.00 0.00 N ATOM 585 CA GLU A 469 -9.075 -2.987 3.453 1.00 0.00 C ATOM 586 C GLU A 469 -8.861 -1.611 4.078 1.00 0.00 C ATOM 587 O GLU A 469 -9.515 -1.254 5.058 1.00 0.00 O ATOM 588 CB GLU A 469 -8.048 -3.977 4.008 1.00 0.00 C ATOM 589 CG GLU A 469 -8.507 -5.424 3.952 1.00 0.00 C ATOM 590 CD GLU A 469 -9.247 -5.851 5.205 1.00 0.00 C ATOM 591 OE1 GLU A 469 -8.585 -6.055 6.244 1.00 0.00 O ATOM 592 OE2 GLU A 469 -10.488 -5.980 5.146 1.00 0.00 O ATOM 0 H GLU A 469 -8.331 -3.589 1.588 1.00 0.00 H new ATOM 0 HA GLU A 469 -10.077 -3.332 3.710 1.00 0.00 H new ATOM 0 HB2 GLU A 469 -7.119 -3.877 3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 469 -7.825 -3.715 5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 469 -9.156 -5.562 3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 469 -7.641 -6.070 3.808 1.00 0.00 H new ATOM 599 N CYS A 470 -7.940 -0.845 3.505 1.00 0.00 N ATOM 600 CA CYS A 470 -7.637 0.491 4.006 1.00 0.00 C ATOM 601 C CYS A 470 -8.799 1.445 3.745 1.00 0.00 C ATOM 602 O CYS A 470 -9.013 2.398 4.494 1.00 0.00 O ATOM 603 CB CYS A 470 -6.364 1.028 3.351 1.00 0.00 C ATOM 604 SG CYS A 470 -4.846 0.229 3.923 1.00 0.00 S ATOM 0 H CYS A 470 -7.390 -1.126 2.693 1.00 0.00 H new ATOM 0 HA CYS A 470 -7.481 0.422 5.083 1.00 0.00 H new ATOM 0 HB2 CYS A 470 -6.443 0.903 2.271 1.00 0.00 H new ATOM 0 HB3 CYS A 470 -6.293 2.099 3.543 1.00 0.00 H new ATOM 0 HG CYS A 470 -4.698 -0.909 3.312 1.00 0.00 H new ATOM 610 N GLY A 471 -9.545 1.184 2.676 1.00 0.00 N ATOM 611 CA GLY A 471 -10.674 2.029 2.335 1.00 0.00 C ATOM 612 C GLY A 471 -11.692 2.117 3.454 1.00 0.00 C ATOM 613 O GLY A 471 -12.392 3.120 3.589 1.00 0.00 O ATOM 0 H GLY A 471 -9.387 0.402 2.040 1.00 0.00 H new ATOM 0 HA2 GLY A 471 -10.315 3.030 2.095 1.00 0.00 H new ATOM 0 HA3 GLY A 471 -11.157 1.640 1.439 1.00 0.00 H new ATOM 617 N LYS A 472 -11.776 1.064 4.260 1.00 0.00 N ATOM 618 CA LYS A 472 -12.716 1.025 5.374 1.00 0.00 C ATOM 619 C LYS A 472 -12.518 2.225 6.294 1.00 0.00 C ATOM 620 O LYS A 472 -13.484 2.804 6.792 1.00 0.00 O ATOM 621 CB LYS A 472 -12.545 -0.273 6.166 1.00 0.00 C ATOM 622 CG LYS A 472 -13.315 -1.446 5.584 1.00 0.00 C ATOM 623 CD LYS A 472 -12.595 -2.046 4.388 1.00 0.00 C ATOM 624 CE LYS A 472 -13.272 -3.323 3.913 1.00 0.00 C ATOM 625 NZ LYS A 472 -12.989 -4.470 4.820 1.00 0.00 N ATOM 0 H LYS A 472 -11.204 0.225 4.162 1.00 0.00 H new ATOM 0 HA LYS A 472 -13.726 1.065 4.967 1.00 0.00 H new ATOM 0 HB2 LYS A 472 -11.486 -0.528 6.205 1.00 0.00 H new ATOM 0 HB3 LYS A 472 -12.872 -0.108 7.193 1.00 0.00 H new ATOM 0 HG2 LYS A 472 -13.450 -2.210 6.350 1.00 0.00 H new ATOM 0 HG3 LYS A 472 -14.310 -1.117 5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 472 -12.572 -1.321 3.575 1.00 0.00 H new ATOM 0 HD3 LYS A 472 -11.560 -2.259 4.654 1.00 0.00 H new ATOM 0 HE2 LYS A 472 -14.349 -3.163 3.854 1.00 0.00 H new ATOM 0 HE3 LYS A 472 -12.930 -3.563 2.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 472 -13.573 -5.285 4.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 472 -11.983 -4.726 4.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 472 -13.213 -4.202 5.799 1.00 0.00 H new ATOM 639 N PHE A 473 -11.261 2.594 6.516 1.00 0.00 N ATOM 640 CA PHE A 473 -10.936 3.726 7.377 1.00 0.00 C ATOM 641 C PHE A 473 -11.300 5.044 6.701 1.00 0.00 C ATOM 642 O PHE A 473 -12.112 5.814 7.213 1.00 0.00 O ATOM 643 CB PHE A 473 -9.448 3.715 7.731 1.00 0.00 C ATOM 644 CG PHE A 473 -8.941 2.364 8.150 1.00 0.00 C ATOM 645 CD1 PHE A 473 -9.273 1.839 9.389 1.00 0.00 C ATOM 646 CD2 PHE A 473 -8.134 1.620 7.306 1.00 0.00 C ATOM 647 CE1 PHE A 473 -8.809 0.597 9.778 1.00 0.00 C ATOM 648 CE2 PHE A 473 -7.667 0.376 7.689 1.00 0.00 C ATOM 649 CZ PHE A 473 -8.004 -0.135 8.927 1.00 0.00 C ATOM 0 H PHE A 473 -10.450 2.126 6.112 1.00 0.00 H new ATOM 0 HA PHE A 473 -11.520 3.634 8.293 1.00 0.00 H new ATOM 0 HB2 PHE A 473 -8.875 4.058 6.869 1.00 0.00 H new ATOM 0 HB3 PHE A 473 -9.269 4.427 8.537 1.00 0.00 H new ATOM 0 HD1 PHE A 473 -9.902 2.407 10.058 1.00 0.00 H new ATOM 0 HD2 PHE A 473 -7.866 2.016 6.337 1.00 0.00 H new ATOM 0 HE1 PHE A 473 -9.075 0.199 10.746 1.00 0.00 H new ATOM 0 HE2 PHE A 473 -7.040 -0.195 7.021 1.00 0.00 H new ATOM 0 HZ PHE A 473 -7.639 -1.105 9.229 1.00 0.00 H new ATOM 659 N GLY A 474 -10.692 5.299 5.546 1.00 0.00 N ATOM 660 CA GLY A 474 -10.963 6.525 4.819 1.00 0.00 C ATOM 661 C GLY A 474 -10.584 6.426 3.355 1.00 0.00 C ATOM 662 O GLY A 474 -10.627 5.346 2.767 1.00 0.00 O ATOM 0 H GLY A 474 -10.016 4.678 5.101 1.00 0.00 H new ATOM 0 HA2 GLY A 474 -12.023 6.766 4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 474 -10.413 7.346 5.279 1.00 0.00 H new ATOM 666 N ALA A 475 -10.213 7.558 2.764 1.00 0.00 N ATOM 667 CA ALA A 475 -9.825 7.594 1.359 1.00 0.00 C ATOM 668 C ALA A 475 -8.353 7.234 1.187 1.00 0.00 C ATOM 669 O ALA A 475 -7.467 7.998 1.572 1.00 0.00 O ATOM 670 CB ALA A 475 -10.107 8.968 0.769 1.00 0.00 C ATOM 0 H ALA A 475 -10.173 8.461 3.236 1.00 0.00 H new ATOM 0 HA ALA A 475 -10.418 6.852 0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 475 -9.813 8.981 -0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 475 -11.172 9.187 0.850 1.00 0.00 H new ATOM 0 HB3 ALA A 475 -9.539 9.722 1.314 1.00 0.00 H new ATOM 676 N VAL A 476 -8.098 6.065 0.607 1.00 0.00 N ATOM 677 CA VAL A 476 -6.733 5.604 0.384 1.00 0.00 C ATOM 678 C VAL A 476 -6.021 6.474 -0.645 1.00 0.00 C ATOM 679 O VAL A 476 -6.415 6.525 -1.809 1.00 0.00 O ATOM 680 CB VAL A 476 -6.707 4.139 -0.092 1.00 0.00 C ATOM 681 CG1 VAL A 476 -5.274 3.671 -0.298 1.00 0.00 C ATOM 682 CG2 VAL A 476 -7.431 3.244 0.901 1.00 0.00 C ATOM 0 H VAL A 476 -8.819 5.420 0.283 1.00 0.00 H new ATOM 0 HA VAL A 476 -6.213 5.677 1.339 1.00 0.00 H new ATOM 0 HB VAL A 476 -7.226 4.076 -1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.275 2.634 -0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -4.792 4.296 -1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -4.728 3.747 0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -7.403 2.213 0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -6.942 3.309 1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -8.468 3.568 0.994 1.00 0.00 H new ATOM 692 N ASN A 477 -4.969 7.158 -0.207 1.00 0.00 N ATOM 693 CA ASN A 477 -4.200 8.028 -1.090 1.00 0.00 C ATOM 694 C ASN A 477 -3.299 7.209 -2.010 1.00 0.00 C ATOM 695 O ASN A 477 -3.370 7.328 -3.233 1.00 0.00 O ATOM 696 CB ASN A 477 -3.357 9.006 -0.270 1.00 0.00 C ATOM 697 CG ASN A 477 -3.132 10.321 -0.992 1.00 0.00 C ATOM 698 OD1 ASN A 477 -3.026 10.359 -2.218 1.00 0.00 O ATOM 699 ND2 ASN A 477 -3.057 11.407 -0.232 1.00 0.00 N ATOM 0 H ASN A 477 -4.629 7.127 0.754 1.00 0.00 H new ATOM 0 HA ASN A 477 -4.902 8.592 -1.705 1.00 0.00 H new ATOM 0 HB2 ASN A 477 -3.851 9.197 0.683 1.00 0.00 H new ATOM 0 HB3 ASN A 477 -2.394 8.550 -0.043 1.00 0.00 H new ATOM 0 HD21 ASN A 477 -2.906 12.320 -0.661 1.00 0.00 H new ATOM 0 HD22 ASN A 477 -3.151 11.328 0.781 1.00 0.00 H new ATOM 706 N ARG A 478 -2.452 6.377 -1.412 1.00 0.00 N ATOM 707 CA ARG A 478 -1.536 5.539 -2.176 1.00 0.00 C ATOM 708 C ARG A 478 -0.942 4.442 -1.298 1.00 0.00 C ATOM 709 O ARG A 478 -1.002 4.514 -0.070 1.00 0.00 O ATOM 710 CB ARG A 478 -0.416 6.389 -2.778 1.00 0.00 C ATOM 711 CG ARG A 478 0.527 6.977 -1.741 1.00 0.00 C ATOM 712 CD ARG A 478 1.667 7.742 -2.395 1.00 0.00 C ATOM 713 NE ARG A 478 2.496 6.879 -3.231 1.00 0.00 N ATOM 714 CZ ARG A 478 2.214 6.591 -4.497 1.00 0.00 C ATOM 715 NH1 ARG A 478 1.128 7.094 -5.069 1.00 0.00 N ATOM 716 NH2 ARG A 478 3.018 5.798 -5.193 1.00 0.00 N ATOM 0 H ARG A 478 -2.381 6.266 -0.401 1.00 0.00 H new ATOM 0 HA ARG A 478 -2.099 5.069 -2.982 1.00 0.00 H new ATOM 0 HB2 ARG A 478 0.159 5.778 -3.474 1.00 0.00 H new ATOM 0 HB3 ARG A 478 -0.858 7.200 -3.356 1.00 0.00 H new ATOM 0 HG2 ARG A 478 -0.027 7.643 -1.080 1.00 0.00 H new ATOM 0 HG3 ARG A 478 0.932 6.177 -1.121 1.00 0.00 H new ATOM 0 HD2 ARG A 478 1.260 8.551 -3.001 1.00 0.00 H new ATOM 0 HD3 ARG A 478 2.285 8.201 -1.624 1.00 0.00 H new ATOM 0 HE ARG A 478 3.338 6.475 -2.821 1.00 0.00 H new ATOM 0 HH11 ARG A 478 0.507 7.704 -4.537 1.00 0.00 H new ATOM 0 HH12 ARG A 478 0.914 6.871 -6.041 1.00 0.00 H new ATOM 0 HH21 ARG A 478 3.854 5.409 -4.756 1.00 0.00 H new ATOM 0 HH22 ARG A 478 2.801 5.577 -6.165 1.00 0.00 H new ATOM 730 N VAL A 479 -0.368 3.426 -1.936 1.00 0.00 N ATOM 731 CA VAL A 479 0.238 2.314 -1.213 1.00 0.00 C ATOM 732 C VAL A 479 1.611 1.974 -1.780 1.00 0.00 C ATOM 733 O VAL A 479 1.785 1.875 -2.995 1.00 0.00 O ATOM 734 CB VAL A 479 -0.653 1.059 -1.266 1.00 0.00 C ATOM 735 CG1 VAL A 479 0.009 -0.097 -0.531 1.00 0.00 C ATOM 736 CG2 VAL A 479 -2.026 1.355 -0.683 1.00 0.00 C ATOM 0 H VAL A 479 -0.310 3.350 -2.952 1.00 0.00 H new ATOM 0 HA VAL A 479 0.345 2.631 -0.176 1.00 0.00 H new ATOM 0 HB VAL A 479 -0.781 0.770 -2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 479 -0.635 -0.975 -0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 479 0.967 -0.324 -0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 479 0.170 0.179 0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 479 -2.642 0.457 -0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 479 -1.920 1.670 0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 479 -2.501 2.151 -1.257 1.00 0.00 H new ATOM 746 N ILE A 480 2.584 1.796 -0.892 1.00 0.00 N ATOM 747 CA ILE A 480 3.942 1.465 -1.305 1.00 0.00 C ATOM 748 C ILE A 480 4.375 0.116 -0.740 1.00 0.00 C ATOM 749 O ILE A 480 4.310 -0.112 0.468 1.00 0.00 O ATOM 750 CB ILE A 480 4.946 2.543 -0.854 1.00 0.00 C ATOM 751 CG1 ILE A 480 4.546 3.909 -1.415 1.00 0.00 C ATOM 752 CG2 ILE A 480 6.354 2.173 -1.296 1.00 0.00 C ATOM 753 CD1 ILE A 480 5.333 5.058 -0.824 1.00 0.00 C ATOM 0 H ILE A 480 2.457 1.875 0.117 1.00 0.00 H new ATOM 0 HA ILE A 480 3.938 1.416 -2.394 1.00 0.00 H new ATOM 0 HB ILE A 480 4.932 2.600 0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 480 4.683 3.903 -2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 480 3.484 4.073 -1.229 1.00 0.00 H new ATOM 0 HG21 ILE A 480 7.052 2.944 -0.970 1.00 0.00 H new ATOM 0 HG22 ILE A 480 6.635 1.218 -0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 480 6.385 2.092 -2.383 1.00 0.00 H new ATOM 0 HD11 ILE A 480 4.997 5.995 -1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 480 5.176 5.090 0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 480 6.394 4.918 -1.033 1.00 0.00 H new ATOM 765 N ILE A 481 4.817 -0.774 -1.622 1.00 0.00 N ATOM 766 CA ILE A 481 5.263 -2.100 -1.212 1.00 0.00 C ATOM 767 C ILE A 481 6.784 -2.204 -1.249 1.00 0.00 C ATOM 768 O ILE A 481 7.384 -2.300 -2.320 1.00 0.00 O ATOM 769 CB ILE A 481 4.662 -3.199 -2.108 1.00 0.00 C ATOM 770 CG1 ILE A 481 3.135 -3.179 -2.021 1.00 0.00 C ATOM 771 CG2 ILE A 481 5.204 -4.563 -1.708 1.00 0.00 C ATOM 772 CD1 ILE A 481 2.462 -4.103 -3.012 1.00 0.00 C ATOM 0 H ILE A 481 4.876 -0.601 -2.625 1.00 0.00 H new ATOM 0 HA ILE A 481 4.916 -2.247 -0.189 1.00 0.00 H new ATOM 0 HB ILE A 481 4.950 -3.004 -3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 481 2.833 -3.459 -1.012 1.00 0.00 H new ATOM 0 HG13 ILE A 481 2.783 -2.161 -2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 481 4.770 -5.330 -2.350 1.00 0.00 H new ATOM 0 HG22 ILE A 481 6.289 -4.570 -1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 481 4.942 -4.768 -0.670 1.00 0.00 H new ATOM 0 HD11 ILE A 481 1.380 -4.038 -2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 481 2.735 -3.810 -4.026 1.00 0.00 H new ATOM 0 HD13 ILE A 481 2.785 -5.128 -2.831 1.00 0.00 H new ATOM 784 N TYR A 482 7.401 -2.186 -0.073 1.00 0.00 N ATOM 785 CA TYR A 482 8.853 -2.278 0.030 1.00 0.00 C ATOM 786 C TYR A 482 9.274 -3.628 0.601 1.00 0.00 C ATOM 787 O TYR A 482 8.844 -4.015 1.687 1.00 0.00 O ATOM 788 CB TYR A 482 9.396 -1.148 0.907 1.00 0.00 C ATOM 789 CG TYR A 482 10.872 -0.886 0.711 1.00 0.00 C ATOM 790 CD1 TYR A 482 11.827 -1.637 1.384 1.00 0.00 C ATOM 791 CD2 TYR A 482 11.311 0.114 -0.149 1.00 0.00 C ATOM 792 CE1 TYR A 482 13.176 -1.400 1.209 1.00 0.00 C ATOM 793 CE2 TYR A 482 12.659 0.357 -0.331 1.00 0.00 C ATOM 794 CZ TYR A 482 13.587 -0.402 0.350 1.00 0.00 C ATOM 795 OH TYR A 482 14.931 -0.164 0.171 1.00 0.00 O ATOM 0 H TYR A 482 6.919 -2.109 0.822 1.00 0.00 H new ATOM 0 HA TYR A 482 9.270 -2.182 -0.973 1.00 0.00 H new ATOM 0 HB2 TYR A 482 8.842 -0.234 0.692 1.00 0.00 H new ATOM 0 HB3 TYR A 482 9.215 -1.392 1.954 1.00 0.00 H new ATOM 0 HD1 TYR A 482 11.509 -2.420 2.056 1.00 0.00 H new ATOM 0 HD2 TYR A 482 10.587 0.711 -0.684 1.00 0.00 H new ATOM 0 HE1 TYR A 482 13.905 -1.993 1.742 1.00 0.00 H new ATOM 0 HE2 TYR A 482 12.984 1.137 -1.003 1.00 0.00 H new ATOM 0 HH TYR A 482 15.051 0.571 -0.467 1.00 0.00 H new ATOM 805 N GLN A 483 10.119 -4.339 -0.139 1.00 0.00 N ATOM 806 CA GLN A 483 10.599 -5.646 0.293 1.00 0.00 C ATOM 807 C GLN A 483 12.092 -5.795 0.022 1.00 0.00 C ATOM 808 O GLN A 483 12.538 -5.688 -1.120 1.00 0.00 O ATOM 809 CB GLN A 483 9.826 -6.758 -0.418 1.00 0.00 C ATOM 810 CG GLN A 483 10.254 -6.970 -1.861 1.00 0.00 C ATOM 811 CD GLN A 483 9.157 -7.577 -2.713 1.00 0.00 C ATOM 812 OE1 GLN A 483 8.469 -6.874 -3.453 1.00 0.00 O ATOM 813 NE2 GLN A 483 8.989 -8.890 -2.613 1.00 0.00 N ATOM 0 H GLN A 483 10.485 -4.032 -1.040 1.00 0.00 H new ATOM 0 HA GLN A 483 10.434 -5.728 1.367 1.00 0.00 H new ATOM 0 HB2 GLN A 483 9.958 -7.690 0.132 1.00 0.00 H new ATOM 0 HB3 GLN A 483 8.762 -6.522 -0.394 1.00 0.00 H new ATOM 0 HG2 GLN A 483 10.555 -6.015 -2.290 1.00 0.00 H new ATOM 0 HG3 GLN A 483 11.129 -7.620 -1.885 1.00 0.00 H new ATOM 0 HE21 GLN A 483 9.582 -9.434 -1.987 1.00 0.00 H new ATOM 0 HE22 GLN A 483 8.266 -9.355 -3.163 1.00 0.00 H new ATOM 822 N GLU A 484 12.859 -6.042 1.079 1.00 0.00 N ATOM 823 CA GLU A 484 14.303 -6.204 0.953 1.00 0.00 C ATOM 824 C GLU A 484 14.874 -6.944 2.159 1.00 0.00 C ATOM 825 O GLU A 484 14.339 -6.860 3.265 1.00 0.00 O ATOM 826 CB GLU A 484 14.981 -4.840 0.810 1.00 0.00 C ATOM 827 CG GLU A 484 16.494 -4.921 0.697 1.00 0.00 C ATOM 828 CD GLU A 484 16.951 -5.473 -0.639 1.00 0.00 C ATOM 829 OE1 GLU A 484 16.341 -5.115 -1.669 1.00 0.00 O ATOM 830 OE2 GLU A 484 17.918 -6.262 -0.655 1.00 0.00 O ATOM 0 H GLU A 484 12.505 -6.134 2.031 1.00 0.00 H new ATOM 0 HA GLU A 484 14.500 -6.795 0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 484 14.586 -4.338 -0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 484 14.722 -4.223 1.670 1.00 0.00 H new ATOM 0 HG2 GLU A 484 16.919 -3.927 0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 484 16.881 -5.551 1.498 1.00 0.00 H new ATOM 837 N LYS A 485 15.966 -7.669 1.938 1.00 0.00 N ATOM 838 CA LYS A 485 16.612 -8.424 3.005 1.00 0.00 C ATOM 839 C LYS A 485 17.234 -7.487 4.035 1.00 0.00 C ATOM 840 O LYS A 485 17.650 -6.377 3.706 1.00 0.00 O ATOM 841 CB LYS A 485 17.687 -9.347 2.425 1.00 0.00 C ATOM 842 CG LYS A 485 18.130 -10.441 3.382 1.00 0.00 C ATOM 843 CD LYS A 485 18.934 -11.514 2.668 1.00 0.00 C ATOM 844 CE LYS A 485 18.033 -12.598 2.097 1.00 0.00 C ATOM 845 NZ LYS A 485 18.818 -13.705 1.484 1.00 0.00 N ATOM 0 H LYS A 485 16.422 -7.749 1.029 1.00 0.00 H new ATOM 0 HA LYS A 485 15.852 -9.027 3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 485 17.306 -9.806 1.513 1.00 0.00 H new ATOM 0 HB3 LYS A 485 18.554 -8.749 2.143 1.00 0.00 H new ATOM 0 HG2 LYS A 485 18.731 -10.006 4.181 1.00 0.00 H new ATOM 0 HG3 LYS A 485 17.255 -10.892 3.851 1.00 0.00 H new ATOM 0 HD2 LYS A 485 19.514 -11.061 1.864 1.00 0.00 H new ATOM 0 HD3 LYS A 485 19.646 -11.960 3.363 1.00 0.00 H new ATOM 0 HE2 LYS A 485 17.399 -12.997 2.888 1.00 0.00 H new ATOM 0 HE3 LYS A 485 17.372 -12.163 1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 485 18.168 -14.424 1.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 485 19.404 -13.329 0.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 485 19.431 -14.137 2.205 1.00 0.00 H new ATOM 950 N GLU A 493 16.188 -12.991 7.219 1.00 0.00 N ATOM 951 CA GLU A 493 14.826 -13.048 6.703 1.00 0.00 C ATOM 952 C GLU A 493 14.510 -11.815 5.862 1.00 0.00 C ATOM 953 O GLU A 493 15.088 -10.747 6.066 1.00 0.00 O ATOM 954 CB GLU A 493 13.825 -13.164 7.854 1.00 0.00 C ATOM 955 CG GLU A 493 12.429 -13.569 7.410 1.00 0.00 C ATOM 956 CD GLU A 493 12.345 -15.030 7.013 1.00 0.00 C ATOM 957 OE1 GLU A 493 12.185 -15.880 7.914 1.00 0.00 O ATOM 958 OE2 GLU A 493 12.438 -15.324 5.803 1.00 0.00 O ATOM 0 HA GLU A 493 14.743 -13.930 6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 493 14.195 -13.895 8.573 1.00 0.00 H new ATOM 0 HB3 GLU A 493 13.769 -12.207 8.373 1.00 0.00 H new ATOM 0 HG2 GLU A 493 11.724 -13.375 8.218 1.00 0.00 H new ATOM 0 HG3 GLU A 493 12.126 -12.949 6.566 1.00 0.00 H new ATOM 965 N ILE A 494 13.590 -11.971 4.915 1.00 0.00 N ATOM 966 CA ILE A 494 13.197 -10.870 4.044 1.00 0.00 C ATOM 967 C ILE A 494 12.001 -10.117 4.615 1.00 0.00 C ATOM 968 O ILE A 494 10.863 -10.576 4.520 1.00 0.00 O ATOM 969 CB ILE A 494 12.847 -11.370 2.630 1.00 0.00 C ATOM 970 CG1 ILE A 494 14.062 -12.041 1.987 1.00 0.00 C ATOM 971 CG2 ILE A 494 12.354 -10.217 1.768 1.00 0.00 C ATOM 972 CD1 ILE A 494 15.146 -11.067 1.581 1.00 0.00 C ATOM 0 H ILE A 494 13.103 -12.849 4.732 1.00 0.00 H new ATOM 0 HA ILE A 494 14.051 -10.196 3.982 1.00 0.00 H new ATOM 0 HB ILE A 494 12.048 -12.107 2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 494 14.479 -12.766 2.686 1.00 0.00 H new ATOM 0 HG13 ILE A 494 13.737 -12.597 1.108 1.00 0.00 H new ATOM 0 HG21 ILE A 494 12.111 -10.586 0.772 1.00 0.00 H new ATOM 0 HG22 ILE A 494 11.464 -9.779 2.220 1.00 0.00 H new ATOM 0 HG23 ILE A 494 13.134 -9.459 1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 494 15.976 -11.613 1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 494 14.745 -10.357 0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 494 15.499 -10.528 2.460 1.00 0.00 H new ATOM 984 N ILE A 495 12.267 -8.957 5.207 1.00 0.00 N ATOM 985 CA ILE A 495 11.212 -8.138 5.791 1.00 0.00 C ATOM 986 C ILE A 495 10.342 -7.509 4.709 1.00 0.00 C ATOM 987 O ILE A 495 10.701 -7.508 3.531 1.00 0.00 O ATOM 988 CB ILE A 495 11.793 -7.023 6.681 1.00 0.00 C ATOM 989 CG1 ILE A 495 12.612 -6.043 5.838 1.00 0.00 C ATOM 990 CG2 ILE A 495 12.647 -7.620 7.789 1.00 0.00 C ATOM 991 CD1 ILE A 495 11.765 -5.064 5.057 1.00 0.00 C ATOM 0 H ILE A 495 13.204 -8.564 5.295 1.00 0.00 H new ATOM 0 HA ILE A 495 10.601 -8.800 6.405 1.00 0.00 H new ATOM 0 HB ILE A 495 10.968 -6.477 7.140 1.00 0.00 H new ATOM 0 HG12 ILE A 495 13.285 -5.488 6.492 1.00 0.00 H new ATOM 0 HG13 ILE A 495 13.235 -6.606 5.144 1.00 0.00 H new ATOM 0 HG21 ILE A 495 13.050 -6.819 8.409 1.00 0.00 H new ATOM 0 HG22 ILE A 495 12.036 -8.282 8.403 1.00 0.00 H new ATOM 0 HG23 ILE A 495 13.468 -8.187 7.350 1.00 0.00 H new ATOM 0 HD11 ILE A 495 12.412 -4.401 4.483 1.00 0.00 H new ATOM 0 HD12 ILE A 495 11.111 -5.610 4.378 1.00 0.00 H new ATOM 0 HD13 ILE A 495 11.161 -4.474 5.747 1.00 0.00 H new ATOM 1003 N VAL A 496 9.197 -6.971 5.116 1.00 0.00 N ATOM 1004 CA VAL A 496 8.276 -6.335 4.182 1.00 0.00 C ATOM 1005 C VAL A 496 7.586 -5.135 4.821 1.00 0.00 C ATOM 1006 O VAL A 496 6.907 -5.265 5.840 1.00 0.00 O ATOM 1007 CB VAL A 496 7.205 -7.326 3.688 1.00 0.00 C ATOM 1008 CG1 VAL A 496 6.114 -6.594 2.920 1.00 0.00 C ATOM 1009 CG2 VAL A 496 7.838 -8.409 2.827 1.00 0.00 C ATOM 0 H VAL A 496 8.885 -6.963 6.087 1.00 0.00 H new ATOM 0 HA VAL A 496 8.869 -5.999 3.332 1.00 0.00 H new ATOM 0 HB VAL A 496 6.749 -7.803 4.555 1.00 0.00 H new ATOM 0 HG11 VAL A 496 5.366 -7.310 2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 496 5.642 -5.859 3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 496 6.552 -6.088 2.059 1.00 0.00 H new ATOM 0 HG21 VAL A 496 7.067 -9.100 2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 496 8.322 -7.951 1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 496 8.580 -8.952 3.413 1.00 0.00 H new ATOM 1019 N LYS A 497 7.765 -3.966 4.216 1.00 0.00 N ATOM 1020 CA LYS A 497 7.159 -2.741 4.724 1.00 0.00 C ATOM 1021 C LYS A 497 6.066 -2.244 3.783 1.00 0.00 C ATOM 1022 O LYS A 497 6.314 -2.004 2.601 1.00 0.00 O ATOM 1023 CB LYS A 497 8.224 -1.657 4.903 1.00 0.00 C ATOM 1024 CG LYS A 497 7.846 -0.595 5.921 1.00 0.00 C ATOM 1025 CD LYS A 497 8.214 -1.020 7.333 1.00 0.00 C ATOM 1026 CE LYS A 497 9.714 -1.224 7.480 1.00 0.00 C ATOM 1027 NZ LYS A 497 10.155 -1.095 8.897 1.00 0.00 N ATOM 0 H LYS A 497 8.325 -3.841 3.373 1.00 0.00 H new ATOM 0 HA LYS A 497 6.708 -2.962 5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 497 9.159 -2.125 5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 497 8.408 -1.178 3.941 1.00 0.00 H new ATOM 0 HG2 LYS A 497 8.352 0.340 5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 497 6.775 -0.402 5.866 1.00 0.00 H new ATOM 0 HD2 LYS A 497 7.877 -0.263 8.041 1.00 0.00 H new ATOM 0 HD3 LYS A 497 7.694 -1.945 7.583 1.00 0.00 H new ATOM 0 HE2 LYS A 497 9.985 -2.210 7.104 1.00 0.00 H new ATOM 0 HE3 LYS A 497 10.242 -0.493 6.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 497 11.183 -1.241 8.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 497 9.919 -0.145 9.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 497 9.671 -1.809 9.478 1.00 0.00 H new ATOM 1041 N ILE A 498 4.858 -2.090 4.315 1.00 0.00 N ATOM 1042 CA ILE A 498 3.729 -1.619 3.522 1.00 0.00 C ATOM 1043 C ILE A 498 3.252 -0.253 4.003 1.00 0.00 C ATOM 1044 O ILE A 498 2.691 -0.127 5.092 1.00 0.00 O ATOM 1045 CB ILE A 498 2.551 -2.609 3.576 1.00 0.00 C ATOM 1046 CG1 ILE A 498 2.951 -3.946 2.947 1.00 0.00 C ATOM 1047 CG2 ILE A 498 1.336 -2.027 2.869 1.00 0.00 C ATOM 1048 CD1 ILE A 498 2.009 -5.080 3.287 1.00 0.00 C ATOM 0 H ILE A 498 4.636 -2.284 5.291 1.00 0.00 H new ATOM 0 HA ILE A 498 4.078 -1.538 2.493 1.00 0.00 H new ATOM 0 HB ILE A 498 2.290 -2.783 4.620 1.00 0.00 H new ATOM 0 HG12 ILE A 498 2.992 -3.831 1.864 1.00 0.00 H new ATOM 0 HG13 ILE A 498 3.956 -4.208 3.278 1.00 0.00 H new ATOM 0 HG21 ILE A 498 0.512 -2.739 2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 498 1.041 -1.098 3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 498 1.583 -1.826 1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 498 2.354 -5.996 2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 498 1.986 -5.222 4.367 1.00 0.00 H new ATOM 0 HD13 ILE A 498 1.007 -4.840 2.931 1.00 0.00 H new ATOM 1060 N PHE A 499 3.477 0.769 3.183 1.00 0.00 N ATOM 1061 CA PHE A 499 3.070 2.127 3.524 1.00 0.00 C ATOM 1062 C PHE A 499 1.683 2.435 2.966 1.00 0.00 C ATOM 1063 O PHE A 499 1.333 2.001 1.869 1.00 0.00 O ATOM 1064 CB PHE A 499 4.085 3.137 2.985 1.00 0.00 C ATOM 1065 CG PHE A 499 5.505 2.814 3.352 1.00 0.00 C ATOM 1066 CD1 PHE A 499 6.244 1.919 2.596 1.00 0.00 C ATOM 1067 CD2 PHE A 499 6.101 3.406 4.454 1.00 0.00 C ATOM 1068 CE1 PHE A 499 7.551 1.620 2.931 1.00 0.00 C ATOM 1069 CE2 PHE A 499 7.408 3.111 4.794 1.00 0.00 C ATOM 1070 CZ PHE A 499 8.133 2.216 4.032 1.00 0.00 C ATOM 0 H PHE A 499 3.939 0.682 2.278 1.00 0.00 H new ATOM 0 HA PHE A 499 3.031 2.206 4.610 1.00 0.00 H new ATOM 0 HB2 PHE A 499 4.000 3.181 1.899 1.00 0.00 H new ATOM 0 HB3 PHE A 499 3.836 4.128 3.365 1.00 0.00 H new ATOM 0 HD1 PHE A 499 5.793 1.449 1.734 1.00 0.00 H new ATOM 0 HD2 PHE A 499 5.538 4.106 5.054 1.00 0.00 H new ATOM 0 HE1 PHE A 499 8.116 0.921 2.332 1.00 0.00 H new ATOM 0 HE2 PHE A 499 7.862 3.580 5.655 1.00 0.00 H new ATOM 0 HZ PHE A 499 9.154 1.983 4.297 1.00 0.00 H new ATOM 1080 N VAL A 500 0.898 3.187 3.731 1.00 0.00 N ATOM 1081 CA VAL A 500 -0.450 3.554 3.314 1.00 0.00 C ATOM 1082 C VAL A 500 -0.754 5.009 3.655 1.00 0.00 C ATOM 1083 O VAL A 500 -0.950 5.355 4.819 1.00 0.00 O ATOM 1084 CB VAL A 500 -1.508 2.652 3.977 1.00 0.00 C ATOM 1085 CG1 VAL A 500 -2.909 3.168 3.686 1.00 0.00 C ATOM 1086 CG2 VAL A 500 -1.352 1.214 3.505 1.00 0.00 C ATOM 0 H VAL A 500 1.172 3.554 4.642 1.00 0.00 H new ATOM 0 HA VAL A 500 -0.494 3.420 2.233 1.00 0.00 H new ATOM 0 HB VAL A 500 -1.356 2.675 5.056 1.00 0.00 H new ATOM 0 HG11 VAL A 500 -3.643 2.518 4.163 1.00 0.00 H new ATOM 0 HG12 VAL A 500 -3.013 4.180 4.077 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -3.077 3.177 2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 500 -2.107 0.590 3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 500 -1.477 1.171 2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 500 -0.360 0.850 3.770 1.00 0.00 H new ATOM 1096 N GLU A 501 -0.790 5.855 2.630 1.00 0.00 N ATOM 1097 CA GLU A 501 -1.070 7.274 2.822 1.00 0.00 C ATOM 1098 C GLU A 501 -2.531 7.587 2.514 1.00 0.00 C ATOM 1099 O GLU A 501 -3.078 7.126 1.511 1.00 0.00 O ATOM 1100 CB GLU A 501 -0.156 8.121 1.934 1.00 0.00 C ATOM 1101 CG GLU A 501 -0.586 9.575 1.830 1.00 0.00 C ATOM 1102 CD GLU A 501 0.230 10.353 0.817 1.00 0.00 C ATOM 1103 OE1 GLU A 501 -0.044 10.218 -0.394 1.00 0.00 O ATOM 1104 OE2 GLU A 501 1.142 11.097 1.234 1.00 0.00 O ATOM 0 H GLU A 501 -0.629 5.583 1.660 1.00 0.00 H new ATOM 0 HA GLU A 501 -0.877 7.518 3.867 1.00 0.00 H new ATOM 0 HB2 GLU A 501 0.860 8.078 2.327 1.00 0.00 H new ATOM 0 HB3 GLU A 501 -0.130 7.686 0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 501 -1.639 9.620 1.554 1.00 0.00 H new ATOM 0 HG3 GLU A 501 -0.492 10.049 2.807 1.00 0.00 H new ATOM 1111 N PHE A 502 -3.158 8.373 3.383 1.00 0.00 N ATOM 1112 CA PHE A 502 -4.556 8.747 3.205 1.00 0.00 C ATOM 1113 C PHE A 502 -4.678 10.206 2.776 1.00 0.00 C ATOM 1114 O PHE A 502 -3.692 10.942 2.753 1.00 0.00 O ATOM 1115 CB PHE A 502 -5.336 8.518 4.501 1.00 0.00 C ATOM 1116 CG PHE A 502 -5.475 7.068 4.870 1.00 0.00 C ATOM 1117 CD1 PHE A 502 -4.379 6.343 5.308 1.00 0.00 C ATOM 1118 CD2 PHE A 502 -6.702 6.431 4.778 1.00 0.00 C ATOM 1119 CE1 PHE A 502 -4.504 5.009 5.647 1.00 0.00 C ATOM 1120 CE2 PHE A 502 -6.833 5.097 5.115 1.00 0.00 C ATOM 1121 CZ PHE A 502 -5.733 4.386 5.551 1.00 0.00 C ATOM 0 H PHE A 502 -2.720 8.763 4.217 1.00 0.00 H new ATOM 0 HA PHE A 502 -4.977 8.119 2.420 1.00 0.00 H new ATOM 0 HB2 PHE A 502 -4.837 9.045 5.314 1.00 0.00 H new ATOM 0 HB3 PHE A 502 -6.329 8.956 4.400 1.00 0.00 H new ATOM 0 HD1 PHE A 502 -3.416 6.826 5.385 1.00 0.00 H new ATOM 0 HD2 PHE A 502 -7.566 6.983 4.439 1.00 0.00 H new ATOM 0 HE1 PHE A 502 -3.642 4.454 5.987 1.00 0.00 H new ATOM 0 HE2 PHE A 502 -7.795 4.612 5.037 1.00 0.00 H new ATOM 0 HZ PHE A 502 -5.833 3.344 5.817 1.00 0.00 H new ATOM 1131 N SER A 503 -5.896 10.616 2.435 1.00 0.00 N ATOM 1132 CA SER A 503 -6.147 11.985 2.001 1.00 0.00 C ATOM 1133 C SER A 503 -5.872 12.972 3.132 1.00 0.00 C ATOM 1134 O SER A 503 -5.319 14.049 2.909 1.00 0.00 O ATOM 1135 CB SER A 503 -7.592 12.133 1.520 1.00 0.00 C ATOM 1136 OG SER A 503 -8.508 11.776 2.541 1.00 0.00 O ATOM 0 H SER A 503 -6.724 10.020 2.451 1.00 0.00 H new ATOM 0 HA SER A 503 -5.472 12.208 1.175 1.00 0.00 H new ATOM 0 HB2 SER A 503 -7.772 13.162 1.209 1.00 0.00 H new ATOM 0 HB3 SER A 503 -7.754 11.503 0.645 1.00 0.00 H new ATOM 0 HG SER A 503 -9.424 11.881 2.210 1.00 0.00 H new ATOM 1142 N ILE A 504 -6.264 12.596 4.345 1.00 0.00 N ATOM 1143 CA ILE A 504 -6.059 13.447 5.511 1.00 0.00 C ATOM 1144 C ILE A 504 -5.378 12.679 6.638 1.00 0.00 C ATOM 1145 O ILE A 504 -5.483 11.456 6.723 1.00 0.00 O ATOM 1146 CB ILE A 504 -7.390 14.023 6.028 1.00 0.00 C ATOM 1147 CG1 ILE A 504 -8.497 12.971 5.934 1.00 0.00 C ATOM 1148 CG2 ILE A 504 -7.769 15.270 5.243 1.00 0.00 C ATOM 1149 CD1 ILE A 504 -9.812 13.423 6.530 1.00 0.00 C ATOM 0 H ILE A 504 -6.725 11.709 4.546 1.00 0.00 H new ATOM 0 HA ILE A 504 -5.416 14.268 5.194 1.00 0.00 H new ATOM 0 HB ILE A 504 -7.266 14.300 7.075 1.00 0.00 H new ATOM 0 HG12 ILE A 504 -8.652 12.711 4.887 1.00 0.00 H new ATOM 0 HG13 ILE A 504 -8.169 12.064 6.442 1.00 0.00 H new ATOM 0 HG21 ILE A 504 -8.712 15.665 5.621 1.00 0.00 H new ATOM 0 HG22 ILE A 504 -6.989 16.023 5.357 1.00 0.00 H new ATOM 0 HG23 ILE A 504 -7.878 15.017 4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 504 -10.550 12.627 6.428 1.00 0.00 H new ATOM 0 HD12 ILE A 504 -9.672 13.655 7.586 1.00 0.00 H new ATOM 0 HD13 ILE A 504 -10.162 14.312 6.006 1.00 0.00 H new ATOM 1161 N ALA A 505 -4.680 13.407 7.505 1.00 0.00 N ATOM 1162 CA ALA A 505 -3.984 12.795 8.630 1.00 0.00 C ATOM 1163 C ALA A 505 -4.952 12.020 9.518 1.00 0.00 C ATOM 1164 O ALA A 505 -4.704 10.865 9.863 1.00 0.00 O ATOM 1165 CB ALA A 505 -3.255 13.856 9.441 1.00 0.00 C ATOM 0 H ALA A 505 -4.582 14.421 7.449 1.00 0.00 H new ATOM 0 HA ALA A 505 -3.252 12.091 8.233 1.00 0.00 H new ATOM 0 HB1 ALA A 505 -2.740 13.384 10.278 1.00 0.00 H new ATOM 0 HB2 ALA A 505 -2.528 14.363 8.807 1.00 0.00 H new ATOM 0 HB3 ALA A 505 -3.974 14.582 9.820 1.00 0.00 H new ATOM 1171 N SER A 506 -6.055 12.664 9.885 1.00 0.00 N ATOM 1172 CA SER A 506 -7.059 12.036 10.737 1.00 0.00 C ATOM 1173 C SER A 506 -7.307 10.593 10.311 1.00 0.00 C ATOM 1174 O SER A 506 -7.036 9.657 11.064 1.00 0.00 O ATOM 1175 CB SER A 506 -8.367 12.827 10.687 1.00 0.00 C ATOM 1176 OG SER A 506 -9.127 12.632 11.868 1.00 0.00 O ATOM 0 H SER A 506 -6.276 13.620 9.606 1.00 0.00 H new ATOM 0 HA SER A 506 -6.683 12.034 11.760 1.00 0.00 H new ATOM 0 HB2 SER A 506 -8.150 13.888 10.562 1.00 0.00 H new ATOM 0 HB3 SER A 506 -8.950 12.517 9.820 1.00 0.00 H new ATOM 0 HG SER A 506 -9.957 13.150 11.812 1.00 0.00 H new ATOM 1182 N GLU A 507 -7.825 10.420 9.099 1.00 0.00 N ATOM 1183 CA GLU A 507 -8.111 9.091 8.573 1.00 0.00 C ATOM 1184 C GLU A 507 -6.980 8.121 8.901 1.00 0.00 C ATOM 1185 O GLU A 507 -7.215 7.017 9.393 1.00 0.00 O ATOM 1186 CB GLU A 507 -8.322 9.152 7.059 1.00 0.00 C ATOM 1187 CG GLU A 507 -9.712 9.613 6.656 1.00 0.00 C ATOM 1188 CD GLU A 507 -10.808 8.741 7.238 1.00 0.00 C ATOM 1189 OE1 GLU A 507 -10.511 7.590 7.619 1.00 0.00 O ATOM 1190 OE2 GLU A 507 -11.962 9.211 7.313 1.00 0.00 O ATOM 0 H GLU A 507 -8.055 11.184 8.463 1.00 0.00 H new ATOM 0 HA GLU A 507 -9.024 8.730 9.046 1.00 0.00 H new ATOM 0 HB2 GLU A 507 -7.585 9.827 6.625 1.00 0.00 H new ATOM 0 HB3 GLU A 507 -8.139 8.165 6.635 1.00 0.00 H new ATOM 0 HG2 GLU A 507 -9.859 10.642 6.984 1.00 0.00 H new ATOM 0 HG3 GLU A 507 -9.790 9.611 5.569 1.00 0.00 H new ATOM 1197 N THR A 508 -5.749 8.541 8.625 1.00 0.00 N ATOM 1198 CA THR A 508 -4.581 7.710 8.889 1.00 0.00 C ATOM 1199 C THR A 508 -4.511 7.310 10.358 1.00 0.00 C ATOM 1200 O THR A 508 -4.457 6.124 10.687 1.00 0.00 O ATOM 1201 CB THR A 508 -3.277 8.436 8.505 1.00 0.00 C ATOM 1202 OG1 THR A 508 -3.423 9.059 7.223 1.00 0.00 O ATOM 1203 CG2 THR A 508 -2.107 7.465 8.472 1.00 0.00 C ATOM 0 H THR A 508 -5.535 9.452 8.219 1.00 0.00 H new ATOM 0 HA THR A 508 -4.685 6.815 8.276 1.00 0.00 H new ATOM 0 HB THR A 508 -3.075 9.198 9.258 1.00 0.00 H new ATOM 0 HG1 THR A 508 -2.776 8.673 6.596 1.00 0.00 H new ATOM 0 HG21 THR A 508 -1.198 8.000 8.199 1.00 0.00 H new ATOM 0 HG22 THR A 508 -1.981 7.014 9.456 1.00 0.00 H new ATOM 0 HG23 THR A 508 -2.303 6.684 7.737 1.00 0.00 H new ATOM 1211 N HIS A 509 -4.514 8.305 11.239 1.00 0.00 N ATOM 1212 CA HIS A 509 -4.453 8.055 12.675 1.00 0.00 C ATOM 1213 C HIS A 509 -5.373 6.902 13.066 1.00 0.00 C ATOM 1214 O HIS A 509 -4.992 6.025 13.841 1.00 0.00 O ATOM 1215 CB HIS A 509 -4.838 9.316 13.450 1.00 0.00 C ATOM 1216 CG HIS A 509 -3.706 10.282 13.622 1.00 0.00 C ATOM 1217 ND1 HIS A 509 -3.119 10.544 14.842 1.00 0.00 N ATOM 1218 CD2 HIS A 509 -3.053 11.050 12.719 1.00 0.00 C ATOM 1219 CE1 HIS A 509 -2.155 11.432 14.682 1.00 0.00 C ATOM 1220 NE2 HIS A 509 -2.094 11.755 13.403 1.00 0.00 N ATOM 0 H HIS A 509 -4.558 9.292 10.984 1.00 0.00 H new ATOM 0 HA HIS A 509 -3.429 7.780 12.928 1.00 0.00 H new ATOM 0 HB2 HIS A 509 -5.656 9.816 12.931 1.00 0.00 H new ATOM 0 HB3 HIS A 509 -5.212 9.029 14.433 1.00 0.00 H new ATOM 0 HD2 HIS A 509 -3.250 11.099 11.658 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -1.524 11.827 15.464 1.00 0.00 H new ATOM 0 HE2 HIS A 509 -1.440 12.420 12.990 1.00 0.00 H new ATOM 1228 N LYS A 510 -6.586 6.911 12.524 1.00 0.00 N ATOM 1229 CA LYS A 510 -7.562 5.867 12.815 1.00 0.00 C ATOM 1230 C LYS A 510 -7.051 4.503 12.360 1.00 0.00 C ATOM 1231 O LYS A 510 -6.931 3.576 13.160 1.00 0.00 O ATOM 1232 CB LYS A 510 -8.893 6.179 12.129 1.00 0.00 C ATOM 1233 CG LYS A 510 -9.989 5.175 12.442 1.00 0.00 C ATOM 1234 CD LYS A 510 -11.117 5.244 11.426 1.00 0.00 C ATOM 1235 CE LYS A 510 -11.887 6.551 11.536 1.00 0.00 C ATOM 1236 NZ LYS A 510 -12.863 6.527 12.660 1.00 0.00 N ATOM 0 H LYS A 510 -6.917 7.630 11.881 1.00 0.00 H new ATOM 0 HA LYS A 510 -7.715 5.837 13.894 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -9.224 7.172 12.432 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -8.738 6.210 11.051 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -9.569 4.169 12.453 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -10.385 5.366 13.439 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -10.709 5.145 10.420 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -11.797 4.406 11.578 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -11.187 7.374 11.681 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -12.414 6.742 10.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -13.367 7.436 12.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -13.547 5.758 12.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -12.358 6.371 13.555 1.00 0.00 H new ATOM 1250 N ALA A 511 -6.750 4.389 11.070 1.00 0.00 N ATOM 1251 CA ALA A 511 -6.249 3.140 10.511 1.00 0.00 C ATOM 1252 C ALA A 511 -5.177 2.528 11.407 1.00 0.00 C ATOM 1253 O ALA A 511 -5.191 1.326 11.674 1.00 0.00 O ATOM 1254 CB ALA A 511 -5.699 3.372 9.111 1.00 0.00 C ATOM 0 H ALA A 511 -6.845 5.146 10.393 1.00 0.00 H new ATOM 0 HA ALA A 511 -7.081 2.438 10.452 1.00 0.00 H new ATOM 0 HB1 ALA A 511 -5.328 2.431 8.705 1.00 0.00 H new ATOM 0 HB2 ALA A 511 -6.491 3.757 8.468 1.00 0.00 H new ATOM 0 HB3 ALA A 511 -4.884 4.094 9.155 1.00 0.00 H new ATOM 1260 N ILE A 512 -4.250 3.361 11.866 1.00 0.00 N ATOM 1261 CA ILE A 512 -3.172 2.901 12.733 1.00 0.00 C ATOM 1262 C ILE A 512 -3.721 2.300 14.022 1.00 0.00 C ATOM 1263 O ILE A 512 -3.466 1.137 14.334 1.00 0.00 O ATOM 1264 CB ILE A 512 -2.204 4.046 13.084 1.00 0.00 C ATOM 1265 CG1 ILE A 512 -1.450 4.508 11.836 1.00 0.00 C ATOM 1266 CG2 ILE A 512 -1.229 3.603 14.165 1.00 0.00 C ATOM 1267 CD1 ILE A 512 -0.916 5.919 11.940 1.00 0.00 C ATOM 0 H ILE A 512 -4.223 4.358 11.652 1.00 0.00 H new ATOM 0 HA ILE A 512 -2.629 2.134 12.181 1.00 0.00 H new ATOM 0 HB ILE A 512 -2.783 4.886 13.466 1.00 0.00 H new ATOM 0 HG12 ILE A 512 -0.620 3.827 11.650 1.00 0.00 H new ATOM 0 HG13 ILE A 512 -2.115 4.442 10.975 1.00 0.00 H new ATOM 0 HG21 ILE A 512 -0.551 4.423 14.402 1.00 0.00 H new ATOM 0 HG22 ILE A 512 -1.783 3.319 15.060 1.00 0.00 H new ATOM 0 HG23 ILE A 512 -0.654 2.749 13.808 1.00 0.00 H new ATOM 0 HD11 ILE A 512 -0.393 6.179 11.020 1.00 0.00 H new ATOM 0 HD12 ILE A 512 -1.744 6.611 12.095 1.00 0.00 H new ATOM 0 HD13 ILE A 512 -0.225 5.986 12.781 1.00 0.00 H new ATOM 1279 N GLN A 513 -4.477 3.101 14.766 1.00 0.00 N ATOM 1280 CA GLN A 513 -5.063 2.647 16.022 1.00 0.00 C ATOM 1281 C GLN A 513 -5.793 1.321 15.834 1.00 0.00 C ATOM 1282 O GLN A 513 -5.960 0.554 16.782 1.00 0.00 O ATOM 1283 CB GLN A 513 -6.028 3.701 16.569 1.00 0.00 C ATOM 1284 CG GLN A 513 -5.379 5.054 16.807 1.00 0.00 C ATOM 1285 CD GLN A 513 -6.389 6.184 16.867 1.00 0.00 C ATOM 1286 OE1 GLN A 513 -6.462 7.015 15.961 1.00 0.00 O ATOM 1287 NE2 GLN A 513 -7.176 6.219 17.935 1.00 0.00 N ATOM 0 H GLN A 513 -4.698 4.066 14.521 1.00 0.00 H new ATOM 0 HA GLN A 513 -4.255 2.498 16.738 1.00 0.00 H new ATOM 0 HB2 GLN A 513 -6.855 3.822 15.870 1.00 0.00 H new ATOM 0 HB3 GLN A 513 -6.453 3.341 17.506 1.00 0.00 H new ATOM 0 HG2 GLN A 513 -4.817 5.024 17.741 1.00 0.00 H new ATOM 0 HG3 GLN A 513 -4.663 5.254 16.010 1.00 0.00 H new ATOM 0 HE21 GLN A 513 -7.081 5.510 18.662 1.00 0.00 H new ATOM 0 HE22 GLN A 513 -7.876 6.955 18.029 1.00 0.00 H new ATOM 1296 N ALA A 514 -6.226 1.058 14.605 1.00 0.00 N ATOM 1297 CA ALA A 514 -6.936 -0.176 14.293 1.00 0.00 C ATOM 1298 C ALA A 514 -5.961 -1.317 14.022 1.00 0.00 C ATOM 1299 O ALA A 514 -6.084 -2.401 14.593 1.00 0.00 O ATOM 1300 CB ALA A 514 -7.854 0.031 13.098 1.00 0.00 C ATOM 0 H ALA A 514 -6.097 1.683 13.809 1.00 0.00 H new ATOM 0 HA ALA A 514 -7.540 -0.447 15.159 1.00 0.00 H new ATOM 0 HB1 ALA A 514 -8.378 -0.899 12.876 1.00 0.00 H new ATOM 0 HB2 ALA A 514 -8.580 0.811 13.328 1.00 0.00 H new ATOM 0 HB3 ALA A 514 -7.263 0.330 12.232 1.00 0.00 H new ATOM 1306 N LEU A 515 -4.993 -1.066 13.148 1.00 0.00 N ATOM 1307 CA LEU A 515 -3.997 -2.073 12.800 1.00 0.00 C ATOM 1308 C LEU A 515 -2.718 -1.876 13.608 1.00 0.00 C ATOM 1309 O LEU A 515 -1.645 -2.329 13.211 1.00 0.00 O ATOM 1310 CB LEU A 515 -3.682 -2.013 11.304 1.00 0.00 C ATOM 1311 CG LEU A 515 -4.889 -1.951 10.367 1.00 0.00 C ATOM 1312 CD1 LEU A 515 -4.441 -1.696 8.936 1.00 0.00 C ATOM 1313 CD2 LEU A 515 -5.699 -3.236 10.454 1.00 0.00 C ATOM 0 H LEU A 515 -4.877 -0.174 12.667 1.00 0.00 H new ATOM 0 HA LEU A 515 -4.409 -3.053 13.039 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -3.058 -1.139 11.119 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -3.089 -2.889 11.042 1.00 0.00 H new ATOM 0 HG LEU A 515 -5.525 -1.123 10.680 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -5.313 -1.655 8.284 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -3.905 -0.748 8.886 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -3.783 -2.502 8.612 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -6.554 -3.174 9.781 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -5.073 -4.081 10.168 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -6.052 -3.375 11.476 1.00 0.00 H new ATOM 1325 N ASN A 516 -2.841 -1.198 14.745 1.00 0.00 N ATOM 1326 CA ASN A 516 -1.695 -0.942 15.610 1.00 0.00 C ATOM 1327 C ASN A 516 -1.444 -2.122 16.544 1.00 0.00 C ATOM 1328 O ASN A 516 -0.509 -2.107 17.342 1.00 0.00 O ATOM 1329 CB ASN A 516 -1.922 0.331 16.428 1.00 0.00 C ATOM 1330 CG ASN A 516 -1.060 0.378 17.675 1.00 0.00 C ATOM 1331 OD1 ASN A 516 0.169 0.358 17.595 1.00 0.00 O ATOM 1332 ND2 ASN A 516 -1.702 0.439 18.836 1.00 0.00 N ATOM 0 H ASN A 516 -3.722 -0.816 15.088 1.00 0.00 H new ATOM 0 HA ASN A 516 -0.817 -0.809 14.978 1.00 0.00 H new ATOM 0 HB2 ASN A 516 -1.707 1.201 15.808 1.00 0.00 H new ATOM 0 HB3 ASN A 516 -2.972 0.394 16.713 1.00 0.00 H new ATOM 0 HD21 ASN A 516 -1.175 0.471 19.709 1.00 0.00 H new ATOM 0 HD22 ASN A 516 -2.722 0.453 18.855 1.00 0.00 H new ATOM 1339 N GLY A 517 -2.287 -3.145 16.436 1.00 0.00 N ATOM 1340 CA GLY A 517 -2.140 -4.319 17.276 1.00 0.00 C ATOM 1341 C GLY A 517 -2.954 -5.496 16.775 1.00 0.00 C ATOM 1342 O GLY A 517 -3.383 -6.341 17.561 1.00 0.00 O ATOM 0 H GLY A 517 -3.069 -3.181 15.782 1.00 0.00 H new ATOM 0 HA2 GLY A 517 -1.088 -4.601 17.320 1.00 0.00 H new ATOM 0 HA3 GLY A 517 -2.447 -4.075 18.293 1.00 0.00 H new ATOM 1346 N ARG A 518 -3.168 -5.550 15.465 1.00 0.00 N ATOM 1347 CA ARG A 518 -3.939 -6.630 14.861 1.00 0.00 C ATOM 1348 C ARG A 518 -3.158 -7.941 14.895 1.00 0.00 C ATOM 1349 O ARG A 518 -1.938 -7.943 15.060 1.00 0.00 O ATOM 1350 CB ARG A 518 -4.304 -6.280 13.417 1.00 0.00 C ATOM 1351 CG ARG A 518 -5.626 -5.539 13.286 1.00 0.00 C ATOM 1352 CD ARG A 518 -6.794 -6.504 13.153 1.00 0.00 C ATOM 1353 NE ARG A 518 -8.071 -5.862 13.453 1.00 0.00 N ATOM 1354 CZ ARG A 518 -8.417 -5.445 14.666 1.00 0.00 C ATOM 1355 NH1 ARG A 518 -7.586 -5.602 15.686 1.00 0.00 N ATOM 1356 NH2 ARG A 518 -9.597 -4.870 14.859 1.00 0.00 N ATOM 0 H ARG A 518 -2.819 -4.859 14.801 1.00 0.00 H new ATOM 0 HA ARG A 518 -4.854 -6.756 15.440 1.00 0.00 H new ATOM 0 HB2 ARG A 518 -3.510 -5.668 12.988 1.00 0.00 H new ATOM 0 HB3 ARG A 518 -4.352 -7.197 12.830 1.00 0.00 H new ATOM 0 HG2 ARG A 518 -5.776 -4.903 14.158 1.00 0.00 H new ATOM 0 HG3 ARG A 518 -5.593 -4.884 12.415 1.00 0.00 H new ATOM 0 HD2 ARG A 518 -6.819 -6.905 12.140 1.00 0.00 H new ATOM 0 HD3 ARG A 518 -6.645 -7.348 13.827 1.00 0.00 H new ATOM 0 HE ARG A 518 -8.734 -5.726 12.689 1.00 0.00 H new ATOM 0 HH11 ARG A 518 -6.678 -6.044 15.541 1.00 0.00 H new ATOM 0 HH12 ARG A 518 -7.854 -5.281 16.616 1.00 0.00 H new ATOM 0 HH21 ARG A 518 -10.239 -4.748 14.076 1.00 0.00 H new ATOM 0 HH22 ARG A 518 -9.862 -4.550 15.791 1.00 0.00 H new ATOM 1370 N TRP A 519 -3.869 -9.051 14.738 1.00 0.00 N ATOM 1371 CA TRP A 519 -3.242 -10.368 14.752 1.00 0.00 C ATOM 1372 C TRP A 519 -3.463 -11.090 13.428 1.00 0.00 C ATOM 1373 O TRP A 519 -4.542 -11.627 13.175 1.00 0.00 O ATOM 1374 CB TRP A 519 -3.796 -11.208 15.904 1.00 0.00 C ATOM 1375 CG TRP A 519 -2.979 -11.111 17.157 1.00 0.00 C ATOM 1376 CD1 TRP A 519 -3.304 -10.434 18.297 1.00 0.00 C ATOM 1377 CD2 TRP A 519 -1.700 -11.710 17.394 1.00 0.00 C ATOM 1378 NE1 TRP A 519 -2.304 -10.575 19.229 1.00 0.00 N ATOM 1379 CE2 TRP A 519 -1.309 -11.354 18.700 1.00 0.00 C ATOM 1380 CE3 TRP A 519 -0.848 -12.513 16.631 1.00 0.00 C ATOM 1381 CZ2 TRP A 519 -0.104 -11.774 19.256 1.00 0.00 C ATOM 1382 CZ3 TRP A 519 0.348 -12.928 17.184 1.00 0.00 C ATOM 1383 CH2 TRP A 519 0.711 -12.559 18.487 1.00 0.00 C ATOM 0 H TRP A 519 -4.879 -9.066 14.600 1.00 0.00 H new ATOM 0 HA TRP A 519 -2.170 -10.231 14.895 1.00 0.00 H new ATOM 0 HB2 TRP A 519 -4.816 -10.889 16.118 1.00 0.00 H new ATOM 0 HB3 TRP A 519 -3.847 -12.251 15.592 1.00 0.00 H new ATOM 0 HD1 TRP A 519 -4.213 -9.870 18.445 1.00 0.00 H new ATOM 0 HE1 TRP A 519 -2.303 -10.166 20.163 1.00 0.00 H new ATOM 0 HE3 TRP A 519 -1.120 -12.804 15.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 519 0.178 -11.490 20.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 519 1.015 -13.547 16.603 1.00 0.00 H new ATOM 0 HH2 TRP A 519 1.652 -12.901 18.891 1.00 0.00 H new ATOM 1394 N PHE A 520 -2.436 -11.100 12.585 1.00 0.00 N ATOM 1395 CA PHE A 520 -2.520 -11.756 11.285 1.00 0.00 C ATOM 1396 C PHE A 520 -2.274 -13.256 11.416 1.00 0.00 C ATOM 1397 O PHE A 520 -1.673 -13.715 12.387 1.00 0.00 O ATOM 1398 CB PHE A 520 -1.506 -11.145 10.315 1.00 0.00 C ATOM 1399 CG PHE A 520 -1.784 -11.468 8.875 1.00 0.00 C ATOM 1400 CD1 PHE A 520 -1.465 -12.712 8.356 1.00 0.00 C ATOM 1401 CD2 PHE A 520 -2.364 -10.527 8.040 1.00 0.00 C ATOM 1402 CE1 PHE A 520 -1.720 -13.013 7.032 1.00 0.00 C ATOM 1403 CE2 PHE A 520 -2.622 -10.822 6.714 1.00 0.00 C ATOM 1404 CZ PHE A 520 -2.298 -12.067 6.209 1.00 0.00 C ATOM 0 H PHE A 520 -1.536 -10.661 12.779 1.00 0.00 H new ATOM 0 HA PHE A 520 -3.526 -11.603 10.893 1.00 0.00 H new ATOM 0 HB2 PHE A 520 -1.501 -10.062 10.442 1.00 0.00 H new ATOM 0 HB3 PHE A 520 -0.509 -11.501 10.573 1.00 0.00 H new ATOM 0 HD1 PHE A 520 -1.011 -13.456 8.994 1.00 0.00 H new ATOM 0 HD2 PHE A 520 -2.618 -9.552 8.429 1.00 0.00 H new ATOM 0 HE1 PHE A 520 -1.467 -13.988 6.641 1.00 0.00 H new ATOM 0 HE2 PHE A 520 -3.076 -10.080 6.074 1.00 0.00 H new ATOM 0 HZ PHE A 520 -2.496 -12.299 5.173 1.00 0.00 H new ATOM 1414 N ALA A 521 -2.745 -14.015 10.432 1.00 0.00 N ATOM 1415 CA ALA A 521 -2.576 -15.463 10.436 1.00 0.00 C ATOM 1416 C ALA A 521 -1.152 -15.848 10.823 1.00 0.00 C ATOM 1417 O ALA A 521 -0.242 -15.813 9.996 1.00 0.00 O ATOM 1418 CB ALA A 521 -2.928 -16.039 9.073 1.00 0.00 C ATOM 0 H ALA A 521 -3.247 -13.651 9.622 1.00 0.00 H new ATOM 0 HA ALA A 521 -3.253 -15.881 11.181 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -2.797 -17.121 9.090 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -3.965 -15.803 8.835 1.00 0.00 H new ATOM 0 HB3 ALA A 521 -2.274 -15.607 8.315 1.00 0.00 H new ATOM 1424 N GLY A 522 -0.966 -16.215 12.087 1.00 0.00 N ATOM 1425 CA GLY A 522 0.350 -16.601 12.562 1.00 0.00 C ATOM 1426 C GLY A 522 1.373 -15.495 12.396 1.00 0.00 C ATOM 1427 O GLY A 522 2.543 -15.759 12.119 1.00 0.00 O ATOM 0 H GLY A 522 -1.703 -16.252 12.791 1.00 0.00 H new ATOM 0 HA2 GLY A 522 0.286 -16.878 13.614 1.00 0.00 H new ATOM 0 HA3 GLY A 522 0.684 -17.485 12.019 1.00 0.00 H new ATOM 1431 N ARG A 523 0.932 -14.253 12.564 1.00 0.00 N ATOM 1432 CA ARG A 523 1.818 -13.103 12.428 1.00 0.00 C ATOM 1433 C ARG A 523 1.195 -11.860 13.058 1.00 0.00 C ATOM 1434 O ARG A 523 0.123 -11.414 12.650 1.00 0.00 O ATOM 1435 CB ARG A 523 2.125 -12.840 10.953 1.00 0.00 C ATOM 1436 CG ARG A 523 3.031 -13.885 10.324 1.00 0.00 C ATOM 1437 CD ARG A 523 3.668 -13.372 9.042 1.00 0.00 C ATOM 1438 NE ARG A 523 4.905 -12.640 9.300 1.00 0.00 N ATOM 1439 CZ ARG A 523 5.482 -11.836 8.414 1.00 0.00 C ATOM 1440 NH1 ARG A 523 4.937 -11.662 7.218 1.00 0.00 N ATOM 1441 NH2 ARG A 523 6.608 -11.205 8.723 1.00 0.00 N ATOM 0 H ARG A 523 -0.033 -14.017 12.794 1.00 0.00 H new ATOM 0 HA ARG A 523 2.748 -13.328 12.951 1.00 0.00 H new ATOM 0 HB2 ARG A 523 1.188 -12.801 10.397 1.00 0.00 H new ATOM 0 HB3 ARG A 523 2.593 -11.860 10.857 1.00 0.00 H new ATOM 0 HG2 ARG A 523 3.811 -14.165 11.032 1.00 0.00 H new ATOM 0 HG3 ARG A 523 2.456 -14.786 10.110 1.00 0.00 H new ATOM 0 HD2 ARG A 523 3.875 -14.212 8.379 1.00 0.00 H new ATOM 0 HD3 ARG A 523 2.964 -12.722 8.522 1.00 0.00 H new ATOM 0 HE ARG A 523 5.350 -12.752 10.211 1.00 0.00 H new ATOM 0 HH11 ARG A 523 4.072 -12.146 6.976 1.00 0.00 H new ATOM 0 HH12 ARG A 523 5.382 -11.044 6.540 1.00 0.00 H new ATOM 0 HH21 ARG A 523 7.031 -11.337 9.642 1.00 0.00 H new ATOM 0 HH22 ARG A 523 7.050 -10.588 8.042 1.00 0.00 H new ATOM 1455 N LYS A 524 1.875 -11.306 14.056 1.00 0.00 N ATOM 1456 CA LYS A 524 1.391 -10.114 14.743 1.00 0.00 C ATOM 1457 C LYS A 524 1.635 -8.865 13.903 1.00 0.00 C ATOM 1458 O LYS A 524 2.775 -8.544 13.566 1.00 0.00 O ATOM 1459 CB LYS A 524 2.078 -9.970 16.103 1.00 0.00 C ATOM 1460 CG LYS A 524 1.782 -8.652 16.798 1.00 0.00 C ATOM 1461 CD LYS A 524 1.806 -8.801 18.310 1.00 0.00 C ATOM 1462 CE LYS A 524 1.221 -7.578 18.999 1.00 0.00 C ATOM 1463 NZ LYS A 524 2.254 -6.535 19.250 1.00 0.00 N ATOM 0 H LYS A 524 2.763 -11.663 14.407 1.00 0.00 H new ATOM 0 HA LYS A 524 0.317 -10.223 14.895 1.00 0.00 H new ATOM 0 HB2 LYS A 524 1.763 -10.790 16.748 1.00 0.00 H new ATOM 0 HB3 LYS A 524 3.155 -10.066 15.968 1.00 0.00 H new ATOM 0 HG2 LYS A 524 2.516 -7.906 16.493 1.00 0.00 H new ATOM 0 HG3 LYS A 524 0.805 -8.285 16.483 1.00 0.00 H new ATOM 0 HD2 LYS A 524 1.241 -9.688 18.598 1.00 0.00 H new ATOM 0 HD3 LYS A 524 2.832 -8.953 18.646 1.00 0.00 H new ATOM 0 HE2 LYS A 524 0.425 -7.160 18.383 1.00 0.00 H new ATOM 0 HE3 LYS A 524 0.768 -7.876 19.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 524 1.815 -5.718 19.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 524 3.001 -6.926 19.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 524 2.668 -6.232 18.345 1.00 0.00 H new ATOM 1477 N VAL A 525 0.558 -8.161 13.570 1.00 0.00 N ATOM 1478 CA VAL A 525 0.655 -6.945 12.771 1.00 0.00 C ATOM 1479 C VAL A 525 1.079 -5.758 13.629 1.00 0.00 C ATOM 1480 O VAL A 525 0.789 -5.706 14.824 1.00 0.00 O ATOM 1481 CB VAL A 525 -0.683 -6.616 12.083 1.00 0.00 C ATOM 1482 CG1 VAL A 525 -0.547 -5.373 11.217 1.00 0.00 C ATOM 1483 CG2 VAL A 525 -1.163 -7.801 11.259 1.00 0.00 C ATOM 0 H VAL A 525 -0.393 -8.412 13.841 1.00 0.00 H new ATOM 0 HA VAL A 525 1.411 -7.127 12.007 1.00 0.00 H new ATOM 0 HB VAL A 525 -1.428 -6.413 12.853 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -1.502 -5.156 10.739 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -0.252 -4.527 11.838 1.00 0.00 H new ATOM 0 HG13 VAL A 525 0.211 -5.543 10.452 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -2.110 -7.551 10.780 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -0.421 -8.038 10.496 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -1.302 -8.664 11.910 1.00 0.00 H new ATOM 1493 N VAL A 526 1.768 -4.804 13.010 1.00 0.00 N ATOM 1494 CA VAL A 526 2.230 -3.615 13.715 1.00 0.00 C ATOM 1495 C VAL A 526 2.182 -2.387 12.813 1.00 0.00 C ATOM 1496 O VAL A 526 2.946 -2.277 11.855 1.00 0.00 O ATOM 1497 CB VAL A 526 3.667 -3.797 14.239 1.00 0.00 C ATOM 1498 CG1 VAL A 526 4.225 -2.473 14.739 1.00 0.00 C ATOM 1499 CG2 VAL A 526 3.704 -4.849 15.337 1.00 0.00 C ATOM 0 H VAL A 526 2.018 -4.832 12.022 1.00 0.00 H new ATOM 0 HA VAL A 526 1.558 -3.467 14.560 1.00 0.00 H new ATOM 0 HB VAL A 526 4.294 -4.141 13.417 1.00 0.00 H new ATOM 0 HG11 VAL A 526 5.241 -2.621 15.105 1.00 0.00 H new ATOM 0 HG12 VAL A 526 4.235 -1.751 13.922 1.00 0.00 H new ATOM 0 HG13 VAL A 526 3.599 -2.097 15.548 1.00 0.00 H new ATOM 0 HG21 VAL A 526 4.727 -4.965 15.696 1.00 0.00 H new ATOM 0 HG22 VAL A 526 3.063 -4.537 16.162 1.00 0.00 H new ATOM 0 HG23 VAL A 526 3.348 -5.800 14.941 1.00 0.00 H new ATOM 1509 N ALA A 527 1.279 -1.464 13.127 1.00 0.00 N ATOM 1510 CA ALA A 527 1.132 -0.242 12.347 1.00 0.00 C ATOM 1511 C ALA A 527 1.786 0.942 13.051 1.00 0.00 C ATOM 1512 O ALA A 527 1.378 1.326 14.147 1.00 0.00 O ATOM 1513 CB ALA A 527 -0.340 0.045 12.086 1.00 0.00 C ATOM 0 H ALA A 527 0.638 -1.540 13.917 1.00 0.00 H new ATOM 0 HA ALA A 527 1.638 -0.388 11.392 1.00 0.00 H new ATOM 0 HB1 ALA A 527 -0.434 0.961 11.502 1.00 0.00 H new ATOM 0 HB2 ALA A 527 -0.780 -0.785 11.533 1.00 0.00 H new ATOM 0 HB3 ALA A 527 -0.861 0.165 13.036 1.00 0.00 H new ATOM 1519 N GLU A 528 2.804 1.515 12.415 1.00 0.00 N ATOM 1520 CA GLU A 528 3.515 2.653 12.984 1.00 0.00 C ATOM 1521 C GLU A 528 3.210 3.929 12.204 1.00 0.00 C ATOM 1522 O GLU A 528 2.673 3.881 11.097 1.00 0.00 O ATOM 1523 CB GLU A 528 5.023 2.392 12.986 1.00 0.00 C ATOM 1524 CG GLU A 528 5.860 3.658 12.920 1.00 0.00 C ATOM 1525 CD GLU A 528 7.345 3.371 12.812 1.00 0.00 C ATOM 1526 OE1 GLU A 528 7.782 2.897 11.743 1.00 0.00 O ATOM 1527 OE2 GLU A 528 8.070 3.620 13.798 1.00 0.00 O ATOM 0 H GLU A 528 3.154 1.210 11.507 1.00 0.00 H new ATOM 0 HA GLU A 528 3.175 2.785 14.011 1.00 0.00 H new ATOM 0 HB2 GLU A 528 5.286 1.839 13.888 1.00 0.00 H new ATOM 0 HB3 GLU A 528 5.274 1.756 12.137 1.00 0.00 H new ATOM 0 HG2 GLU A 528 5.545 4.253 12.062 1.00 0.00 H new ATOM 0 HG3 GLU A 528 5.674 4.259 13.810 1.00 0.00 H new ATOM 1534 N VAL A 529 3.556 5.071 12.791 1.00 0.00 N ATOM 1535 CA VAL A 529 3.320 6.361 12.152 1.00 0.00 C ATOM 1536 C VAL A 529 4.605 6.918 11.549 1.00 0.00 C ATOM 1537 O VAL A 529 5.618 7.052 12.235 1.00 0.00 O ATOM 1538 CB VAL A 529 2.748 7.385 13.150 1.00 0.00 C ATOM 1539 CG1 VAL A 529 3.822 7.831 14.132 1.00 0.00 C ATOM 1540 CG2 VAL A 529 2.161 8.578 12.411 1.00 0.00 C ATOM 0 H VAL A 529 4.000 5.129 13.707 1.00 0.00 H new ATOM 0 HA VAL A 529 2.592 6.193 11.358 1.00 0.00 H new ATOM 0 HB VAL A 529 1.948 6.908 13.716 1.00 0.00 H new ATOM 0 HG11 VAL A 529 3.400 8.554 14.829 1.00 0.00 H new ATOM 0 HG12 VAL A 529 4.191 6.967 14.685 1.00 0.00 H new ATOM 0 HG13 VAL A 529 4.646 8.291 13.586 1.00 0.00 H new ATOM 0 HG21 VAL A 529 1.761 9.292 13.132 1.00 0.00 H new ATOM 0 HG22 VAL A 529 2.940 9.058 11.819 1.00 0.00 H new ATOM 0 HG23 VAL A 529 1.361 8.240 11.753 1.00 0.00 H new ATOM 1550 N TYR A 530 4.555 7.241 10.261 1.00 0.00 N ATOM 1551 CA TYR A 530 5.715 7.782 9.564 1.00 0.00 C ATOM 1552 C TYR A 530 5.684 9.307 9.557 1.00 0.00 C ATOM 1553 O TYR A 530 4.994 9.922 8.743 1.00 0.00 O ATOM 1554 CB TYR A 530 5.765 7.256 8.128 1.00 0.00 C ATOM 1555 CG TYR A 530 7.168 7.120 7.582 1.00 0.00 C ATOM 1556 CD1 TYR A 530 8.178 6.540 8.340 1.00 0.00 C ATOM 1557 CD2 TYR A 530 7.484 7.571 6.306 1.00 0.00 C ATOM 1558 CE1 TYR A 530 9.461 6.415 7.845 1.00 0.00 C ATOM 1559 CE2 TYR A 530 8.765 7.449 5.802 1.00 0.00 C ATOM 1560 CZ TYR A 530 9.750 6.871 6.575 1.00 0.00 C ATOM 1561 OH TYR A 530 11.027 6.746 6.078 1.00 0.00 O ATOM 0 H TYR A 530 3.724 7.137 9.679 1.00 0.00 H new ATOM 0 HA TYR A 530 6.610 7.457 10.095 1.00 0.00 H new ATOM 0 HB2 TYR A 530 5.273 6.284 8.089 1.00 0.00 H new ATOM 0 HB3 TYR A 530 5.197 7.927 7.484 1.00 0.00 H new ATOM 0 HD1 TYR A 530 7.956 6.181 9.334 1.00 0.00 H new ATOM 0 HD2 TYR A 530 6.715 8.025 5.698 1.00 0.00 H new ATOM 0 HE1 TYR A 530 10.234 5.963 8.449 1.00 0.00 H new ATOM 0 HE2 TYR A 530 8.993 7.804 4.808 1.00 0.00 H new ATOM 0 HH TYR A 530 11.063 7.115 5.171 1.00 0.00 H new