USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 640 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 445 THR OG1 : rot -155:sc= 0.817 USER MOD Set 1.2: A 508 THR OG1 : rot -135:sc= 0.208 USER MOD Set 2.1: A 444 SER OG : rot 21:sc= 0.678 USER MOD Set 2.2: A 509 HIS : no HD1:sc= -0.0222 X(o=0.66,f=0.54) USER MOD Single : A 447 MET CE :methyl 169:sc= -2.09 (180deg=-2.44) USER MOD Single : A 451 ASN : amide:sc= 1.16 K(o=1.2,f=-0.15) USER MOD Single : A 452 MET CE :methyl -110:sc= -0.261 (180deg=-1.41!) USER MOD Single : A 456 LYS NZ :NH3+ 157:sc= -0.103 (180deg=-0.609) USER MOD Single : A 467 THR OG1 : rot 77:sc= 0.815 USER MOD Single : A 470 CYS SG : rot 78:sc= -1.22 USER MOD Single : A 472 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 477 ASN : amide:sc= -0.803 X(o=-0.8,f=-0.92) USER MOD Single : A 482 TYR OH : rot 180:sc= 0 USER MOD Single : A 483 GLN :FLIP amide:sc= 0 F(o=-0.83,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 USER MOD Single : A 506 SER OG : rot 180:sc= 0 USER MOD Single : A 510 LYS NZ :NH3+ 156:sc= -0.0462 (180deg=-0.331) USER MOD Single : A 513 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 516 ASN : amide:sc= -0.937 X(o=-0.94,f=-0.63) 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 0.448 14.082 9.789 1.00 0.00 N ATOM 205 CA SER A 444 0.991 12.830 9.276 1.00 0.00 C ATOM 206 C SER A 444 -0.124 11.928 8.754 1.00 0.00 C ATOM 207 O SER A 444 -0.980 11.474 9.514 1.00 0.00 O ATOM 208 CB SER A 444 1.779 12.105 10.369 1.00 0.00 C ATOM 209 OG SER A 444 0.922 11.660 11.406 1.00 0.00 O ATOM 0 HA SER A 444 1.662 13.065 8.450 1.00 0.00 H new ATOM 0 HB2 SER A 444 2.306 11.254 9.938 1.00 0.00 H new ATOM 0 HB3 SER A 444 2.536 12.773 10.780 1.00 0.00 H new ATOM 0 HG SER A 444 0.004 11.598 11.068 1.00 0.00 H new ATOM 215 N THR A 445 -0.107 11.672 7.449 1.00 0.00 N ATOM 216 CA THR A 445 -1.115 10.826 6.823 1.00 0.00 C ATOM 217 C THR A 445 -0.490 9.564 6.241 1.00 0.00 C ATOM 218 O THR A 445 -1.150 8.800 5.536 1.00 0.00 O ATOM 219 CB THR A 445 -1.864 11.577 5.706 1.00 0.00 C ATOM 220 OG1 THR A 445 -2.748 10.682 5.021 1.00 0.00 O ATOM 221 CG2 THR A 445 -0.884 12.188 4.715 1.00 0.00 C ATOM 0 H THR A 445 0.594 12.039 6.806 1.00 0.00 H new ATOM 0 HA THR A 445 -1.824 10.550 7.603 1.00 0.00 H new ATOM 0 HB THR A 445 -2.443 12.380 6.162 1.00 0.00 H new ATOM 0 HG1 THR A 445 -2.916 11.017 4.116 1.00 0.00 H new ATOM 0 HG21 THR A 445 -1.435 12.713 3.935 1.00 0.00 H new ATOM 0 HG22 THR A 445 -0.232 12.890 5.234 1.00 0.00 H new ATOM 0 HG23 THR A 445 -0.282 11.399 4.265 1.00 0.00 H new ATOM 229 N VAL A 446 0.787 9.349 6.541 1.00 0.00 N ATOM 230 CA VAL A 446 1.501 8.177 6.049 1.00 0.00 C ATOM 231 C VAL A 446 1.694 7.146 7.155 1.00 0.00 C ATOM 232 O VAL A 446 2.205 7.461 8.229 1.00 0.00 O ATOM 233 CB VAL A 446 2.878 8.560 5.473 1.00 0.00 C ATOM 234 CG1 VAL A 446 3.542 7.352 4.829 1.00 0.00 C ATOM 235 CG2 VAL A 446 2.739 9.698 4.474 1.00 0.00 C ATOM 0 H VAL A 446 1.348 9.971 7.122 1.00 0.00 H new ATOM 0 HA VAL A 446 0.891 7.744 5.256 1.00 0.00 H new ATOM 0 HB VAL A 446 3.513 8.901 6.291 1.00 0.00 H new ATOM 0 HG11 VAL A 446 4.513 7.641 4.428 1.00 0.00 H new ATOM 0 HG12 VAL A 446 3.676 6.570 5.576 1.00 0.00 H new ATOM 0 HG13 VAL A 446 2.913 6.978 4.021 1.00 0.00 H new ATOM 0 HG21 VAL A 446 3.721 9.956 4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 446 2.088 9.388 3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 446 2.309 10.568 4.971 1.00 0.00 H new ATOM 245 N MET A 447 1.282 5.912 6.884 1.00 0.00 N ATOM 246 CA MET A 447 1.411 4.833 7.857 1.00 0.00 C ATOM 247 C MET A 447 2.250 3.690 7.293 1.00 0.00 C ATOM 248 O MET A 447 2.435 3.582 6.081 1.00 0.00 O ATOM 249 CB MET A 447 0.030 4.315 8.262 1.00 0.00 C ATOM 250 CG MET A 447 0.067 2.962 8.954 1.00 0.00 C ATOM 251 SD MET A 447 -1.579 2.322 9.317 1.00 0.00 S ATOM 252 CE MET A 447 -2.230 2.105 7.662 1.00 0.00 C ATOM 0 H MET A 447 0.856 5.634 6.000 1.00 0.00 H new ATOM 0 HA MET A 447 1.915 5.230 8.738 1.00 0.00 H new ATOM 0 HB2 MET A 447 -0.441 5.040 8.925 1.00 0.00 H new ATOM 0 HB3 MET A 447 -0.597 4.242 7.373 1.00 0.00 H new ATOM 0 HG2 MET A 447 0.598 2.250 8.323 1.00 0.00 H new ATOM 0 HG3 MET A 447 0.632 3.048 9.882 1.00 0.00 H new ATOM 0 HE1 MET A 447 -3.159 1.537 7.708 1.00 0.00 H new ATOM 0 HE2 MET A 447 -2.423 3.081 7.216 1.00 0.00 H new ATOM 0 HE3 MET A 447 -1.504 1.565 7.054 1.00 0.00 H new ATOM 262 N VAL A 448 2.755 2.839 8.180 1.00 0.00 N ATOM 263 CA VAL A 448 3.574 1.704 7.771 1.00 0.00 C ATOM 264 C VAL A 448 3.122 0.423 8.462 1.00 0.00 C ATOM 265 O VAL A 448 3.061 0.356 9.691 1.00 0.00 O ATOM 266 CB VAL A 448 5.063 1.945 8.081 1.00 0.00 C ATOM 267 CG1 VAL A 448 5.228 2.563 9.461 1.00 0.00 C ATOM 268 CG2 VAL A 448 5.846 0.645 7.974 1.00 0.00 C ATOM 0 H VAL A 448 2.611 2.914 9.187 1.00 0.00 H new ATOM 0 HA VAL A 448 3.449 1.595 6.694 1.00 0.00 H new ATOM 0 HB VAL A 448 5.461 2.644 7.346 1.00 0.00 H new ATOM 0 HG11 VAL A 448 6.287 2.726 9.662 1.00 0.00 H new ATOM 0 HG12 VAL A 448 4.701 3.516 9.498 1.00 0.00 H new ATOM 0 HG13 VAL A 448 4.815 1.890 10.213 1.00 0.00 H new ATOM 0 HG21 VAL A 448 6.896 0.834 8.196 1.00 0.00 H new ATOM 0 HG22 VAL A 448 5.449 -0.079 8.686 1.00 0.00 H new ATOM 0 HG23 VAL A 448 5.755 0.247 6.963 1.00 0.00 H new ATOM 278 N LEU A 449 2.808 -0.593 7.667 1.00 0.00 N ATOM 279 CA LEU A 449 2.362 -1.875 8.202 1.00 0.00 C ATOM 280 C LEU A 449 3.464 -2.924 8.093 1.00 0.00 C ATOM 281 O LEU A 449 4.006 -3.159 7.013 1.00 0.00 O ATOM 282 CB LEU A 449 1.112 -2.353 7.461 1.00 0.00 C ATOM 283 CG LEU A 449 -0.003 -1.320 7.290 1.00 0.00 C ATOM 284 CD1 LEU A 449 -1.229 -1.958 6.655 1.00 0.00 C ATOM 285 CD2 LEU A 449 -0.360 -0.694 8.630 1.00 0.00 C ATOM 0 H LEU A 449 2.854 -0.554 6.649 1.00 0.00 H new ATOM 0 HA LEU A 449 2.121 -1.736 9.256 1.00 0.00 H new ATOM 0 HB2 LEU A 449 1.411 -2.702 6.473 1.00 0.00 H new ATOM 0 HB3 LEU A 449 0.705 -3.213 7.993 1.00 0.00 H new ATOM 0 HG LEU A 449 0.356 -0.533 6.627 1.00 0.00 H new ATOM 0 HD11 LEU A 449 -2.012 -1.208 6.541 1.00 0.00 H new ATOM 0 HD12 LEU A 449 -0.965 -2.358 5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 449 -1.590 -2.765 7.292 1.00 0.00 H new ATOM 0 HD21 LEU A 449 -1.155 0.038 8.489 1.00 0.00 H new ATOM 0 HD22 LEU A 449 -0.699 -1.471 9.315 1.00 0.00 H new ATOM 0 HD23 LEU A 449 0.518 -0.201 9.047 1.00 0.00 H new ATOM 297 N ARG A 450 3.788 -3.553 9.218 1.00 0.00 N ATOM 298 CA ARG A 450 4.825 -4.577 9.249 1.00 0.00 C ATOM 299 C ARG A 450 4.282 -5.882 9.824 1.00 0.00 C ATOM 300 O ARG A 450 3.363 -5.877 10.641 1.00 0.00 O ATOM 301 CB ARG A 450 6.019 -4.100 10.076 1.00 0.00 C ATOM 302 CG ARG A 450 6.723 -2.888 9.488 1.00 0.00 C ATOM 303 CD ARG A 450 7.393 -2.054 10.569 1.00 0.00 C ATOM 304 NE ARG A 450 8.576 -1.359 10.069 1.00 0.00 N ATOM 305 CZ ARG A 450 9.298 -0.517 10.801 1.00 0.00 C ATOM 306 NH1 ARG A 450 8.958 -0.267 12.058 1.00 0.00 N ATOM 307 NH2 ARG A 450 10.361 0.077 10.275 1.00 0.00 N ATOM 0 H ARG A 450 3.347 -3.371 10.120 1.00 0.00 H new ATOM 0 HA ARG A 450 5.152 -4.759 8.225 1.00 0.00 H new ATOM 0 HB2 ARG A 450 5.679 -3.859 11.083 1.00 0.00 H new ATOM 0 HB3 ARG A 450 6.735 -4.916 10.168 1.00 0.00 H new ATOM 0 HG2 ARG A 450 7.470 -3.215 8.764 1.00 0.00 H new ATOM 0 HG3 ARG A 450 6.003 -2.274 8.947 1.00 0.00 H new ATOM 0 HD2 ARG A 450 6.682 -1.325 10.958 1.00 0.00 H new ATOM 0 HD3 ARG A 450 7.676 -2.699 11.401 1.00 0.00 H new ATOM 0 HE ARG A 450 8.864 -1.529 9.105 1.00 0.00 H new ATOM 0 HH11 ARG A 450 8.141 -0.721 12.465 1.00 0.00 H new ATOM 0 HH12 ARG A 450 9.514 0.380 12.618 1.00 0.00 H new ATOM 0 HH21 ARG A 450 10.625 -0.112 9.308 1.00 0.00 H new ATOM 0 HH22 ARG A 450 10.915 0.723 10.837 1.00 0.00 H new ATOM 321 N ASN A 451 4.859 -6.999 9.391 1.00 0.00 N ATOM 322 CA ASN A 451 4.432 -8.312 9.862 1.00 0.00 C ATOM 323 C ASN A 451 3.016 -8.625 9.390 1.00 0.00 C ATOM 324 O ASN A 451 2.266 -9.327 10.068 1.00 0.00 O ATOM 325 CB ASN A 451 4.499 -8.375 11.389 1.00 0.00 C ATOM 326 CG ASN A 451 4.788 -9.774 11.898 1.00 0.00 C ATOM 327 OD1 ASN A 451 5.945 -10.159 12.065 1.00 0.00 O ATOM 328 ND2 ASN A 451 3.734 -10.542 12.146 1.00 0.00 N ATOM 0 H ASN A 451 5.623 -7.021 8.715 1.00 0.00 H new ATOM 0 HA ASN A 451 5.108 -9.058 9.444 1.00 0.00 H new ATOM 0 HB2 ASN A 451 5.273 -7.695 11.744 1.00 0.00 H new ATOM 0 HB3 ASN A 451 3.554 -8.028 11.806 1.00 0.00 H new ATOM 0 HD21 ASN A 451 3.866 -11.493 12.490 1.00 0.00 H new ATOM 0 HD22 ASN A 451 2.792 -10.181 11.993 1.00 0.00 H new ATOM 335 N MET A 452 2.657 -8.101 8.223 1.00 0.00 N ATOM 336 CA MET A 452 1.331 -8.326 7.660 1.00 0.00 C ATOM 337 C MET A 452 1.273 -9.660 6.922 1.00 0.00 C ATOM 338 O MET A 452 0.477 -10.535 7.263 1.00 0.00 O ATOM 339 CB MET A 452 0.957 -7.188 6.708 1.00 0.00 C ATOM 340 CG MET A 452 -0.503 -7.202 6.288 1.00 0.00 C ATOM 341 SD MET A 452 -0.823 -6.160 4.851 1.00 0.00 S ATOM 342 CE MET A 452 -2.398 -5.436 5.302 1.00 0.00 C ATOM 0 H MET A 452 3.266 -7.518 7.649 1.00 0.00 H new ATOM 0 HA MET A 452 0.615 -8.353 8.482 1.00 0.00 H new ATOM 0 HB2 MET A 452 1.179 -6.235 7.189 1.00 0.00 H new ATOM 0 HB3 MET A 452 1.583 -7.249 5.818 1.00 0.00 H new ATOM 0 HG2 MET A 452 -0.803 -8.226 6.063 1.00 0.00 H new ATOM 0 HG3 MET A 452 -1.120 -6.865 7.121 1.00 0.00 H new ATOM 0 HE1 MET A 452 -3.182 -5.842 4.663 1.00 0.00 H new ATOM 0 HE2 MET A 452 -2.621 -5.670 6.343 1.00 0.00 H new ATOM 0 HE3 MET A 452 -2.351 -4.354 5.175 1.00 0.00 H new ATOM 352 N VAL A 453 2.123 -9.810 5.910 1.00 0.00 N ATOM 353 CA VAL A 453 2.168 -11.038 5.126 1.00 0.00 C ATOM 354 C VAL A 453 3.585 -11.328 4.643 1.00 0.00 C ATOM 355 O VAL A 453 4.364 -10.411 4.382 1.00 0.00 O ATOM 356 CB VAL A 453 1.228 -10.961 3.908 1.00 0.00 C ATOM 357 CG1 VAL A 453 -0.224 -10.910 4.357 1.00 0.00 C ATOM 358 CG2 VAL A 453 1.571 -9.756 3.046 1.00 0.00 C ATOM 0 H VAL A 453 2.789 -9.096 5.615 1.00 0.00 H new ATOM 0 HA VAL A 453 1.837 -11.845 5.780 1.00 0.00 H new ATOM 0 HB VAL A 453 1.366 -11.860 3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -0.873 -10.856 3.483 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -0.460 -11.807 4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -0.381 -10.030 4.981 1.00 0.00 H new ATOM 0 HG21 VAL A 453 0.897 -9.717 2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 453 1.463 -8.845 3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 453 2.599 -9.841 2.695 1.00 0.00 H new ATOM 368 N ASP A 454 3.912 -12.611 4.525 1.00 0.00 N ATOM 369 CA ASP A 454 5.235 -13.024 4.072 1.00 0.00 C ATOM 370 C ASP A 454 5.489 -12.559 2.641 1.00 0.00 C ATOM 371 O ASP A 454 4.564 -12.252 1.889 1.00 0.00 O ATOM 372 CB ASP A 454 5.376 -14.544 4.160 1.00 0.00 C ATOM 373 CG ASP A 454 5.926 -14.998 5.498 1.00 0.00 C ATOM 374 OD1 ASP A 454 5.186 -14.917 6.501 1.00 0.00 O ATOM 375 OD2 ASP A 454 7.094 -15.435 5.541 1.00 0.00 O ATOM 0 H ASP A 454 3.279 -13.382 4.737 1.00 0.00 H new ATOM 0 HA ASP A 454 5.976 -12.560 4.723 1.00 0.00 H new ATOM 0 HB2 ASP A 454 4.403 -15.006 3.995 1.00 0.00 H new ATOM 0 HB3 ASP A 454 6.034 -14.892 3.363 1.00 0.00 H new ATOM 380 N PRO A 455 6.772 -12.503 2.256 1.00 0.00 N ATOM 381 CA PRO A 455 7.178 -12.076 0.913 1.00 0.00 C ATOM 382 C PRO A 455 6.798 -13.092 -0.158 1.00 0.00 C ATOM 383 O PRO A 455 7.043 -12.879 -1.346 1.00 0.00 O ATOM 384 CB PRO A 455 8.700 -11.958 1.023 1.00 0.00 C ATOM 385 CG PRO A 455 9.073 -12.886 2.127 1.00 0.00 C ATOM 386 CD PRO A 455 7.927 -12.854 3.100 1.00 0.00 C ATOM 0 HA PRO A 455 6.686 -11.151 0.613 1.00 0.00 H new ATOM 0 HB2 PRO A 455 9.187 -12.238 0.089 1.00 0.00 H new ATOM 0 HB3 PRO A 455 9.003 -10.935 1.246 1.00 0.00 H new ATOM 0 HG2 PRO A 455 9.236 -13.895 1.750 1.00 0.00 H new ATOM 0 HG3 PRO A 455 10.000 -12.570 2.606 1.00 0.00 H new ATOM 0 HD2 PRO A 455 7.789 -13.818 3.590 1.00 0.00 H new ATOM 0 HD3 PRO A 455 8.088 -12.117 3.887 1.00 0.00 H new ATOM 394 N LYS A 456 6.197 -14.198 0.268 1.00 0.00 N ATOM 395 CA LYS A 456 5.781 -15.248 -0.654 1.00 0.00 C ATOM 396 C LYS A 456 4.329 -15.054 -1.079 1.00 0.00 C ATOM 397 O LYS A 456 3.826 -15.768 -1.947 1.00 0.00 O ATOM 398 CB LYS A 456 5.955 -16.623 -0.006 1.00 0.00 C ATOM 399 CG LYS A 456 4.872 -16.961 1.003 1.00 0.00 C ATOM 400 CD LYS A 456 5.201 -18.232 1.770 1.00 0.00 C ATOM 401 CE LYS A 456 4.036 -18.674 2.642 1.00 0.00 C ATOM 402 NZ LYS A 456 2.787 -18.852 1.850 1.00 0.00 N ATOM 0 H LYS A 456 5.987 -14.390 1.247 1.00 0.00 H new ATOM 0 HA LYS A 456 6.412 -15.189 -1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 456 5.964 -17.384 -0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 456 6.926 -16.662 0.488 1.00 0.00 H new ATOM 0 HG2 LYS A 456 4.754 -16.133 1.702 1.00 0.00 H new ATOM 0 HG3 LYS A 456 3.919 -17.082 0.488 1.00 0.00 H new ATOM 0 HD2 LYS A 456 5.453 -19.027 1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 456 6.080 -18.065 2.393 1.00 0.00 H new ATOM 0 HE2 LYS A 456 4.288 -19.611 3.138 1.00 0.00 H new ATOM 0 HE3 LYS A 456 3.867 -17.935 3.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 2.147 -19.499 2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 2.321 -17.931 1.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 3.021 -19.250 0.918 1.00 0.00 H new ATOM 416 N ASP A 457 3.661 -14.085 -0.463 1.00 0.00 N ATOM 417 CA ASP A 457 2.268 -13.796 -0.780 1.00 0.00 C ATOM 418 C ASP A 457 2.154 -12.543 -1.642 1.00 0.00 C ATOM 419 O ASP A 457 1.053 -12.090 -1.954 1.00 0.00 O ATOM 420 CB ASP A 457 1.456 -13.621 0.505 1.00 0.00 C ATOM 421 CG ASP A 457 0.913 -14.935 1.031 1.00 0.00 C ATOM 422 OD1 ASP A 457 1.678 -15.673 1.686 1.00 0.00 O ATOM 423 OD2 ASP A 457 -0.277 -15.226 0.786 1.00 0.00 O ATOM 0 H ASP A 457 4.062 -13.486 0.259 1.00 0.00 H new ATOM 0 HA ASP A 457 1.868 -14.639 -1.343 1.00 0.00 H new ATOM 0 HB2 ASP A 457 2.083 -13.159 1.268 1.00 0.00 H new ATOM 0 HB3 ASP A 457 0.627 -12.938 0.317 1.00 0.00 H new ATOM 428 N ILE A 458 3.300 -11.988 -2.023 1.00 0.00 N ATOM 429 CA ILE A 458 3.329 -10.787 -2.849 1.00 0.00 C ATOM 430 C ILE A 458 2.785 -11.068 -4.246 1.00 0.00 C ATOM 431 O ILE A 458 3.401 -11.792 -5.029 1.00 0.00 O ATOM 432 CB ILE A 458 4.756 -10.221 -2.970 1.00 0.00 C ATOM 433 CG1 ILE A 458 5.333 -9.934 -1.582 1.00 0.00 C ATOM 434 CG2 ILE A 458 4.755 -8.960 -3.821 1.00 0.00 C ATOM 435 CD1 ILE A 458 4.365 -9.228 -0.659 1.00 0.00 C ATOM 0 H ILE A 458 4.220 -12.351 -1.773 1.00 0.00 H new ATOM 0 HA ILE A 458 2.695 -10.049 -2.356 1.00 0.00 H new ATOM 0 HB ILE A 458 5.386 -10.964 -3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 458 5.639 -10.874 -1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 458 6.230 -9.324 -1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 458 5.771 -8.572 -3.897 1.00 0.00 H new ATOM 0 HG22 ILE A 458 4.380 -9.194 -4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 458 4.113 -8.210 -3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 458 4.842 -9.057 0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 458 4.077 -8.272 -1.096 1.00 0.00 H new ATOM 0 HD13 ILE A 458 3.477 -9.846 -0.521 1.00 0.00 H new ATOM 447 N ASP A 459 1.630 -10.489 -4.552 1.00 0.00 N ATOM 448 CA ASP A 459 1.004 -10.674 -5.857 1.00 0.00 C ATOM 449 C ASP A 459 0.225 -9.428 -6.267 1.00 0.00 C ATOM 450 O ASP A 459 -0.296 -8.702 -5.420 1.00 0.00 O ATOM 451 CB ASP A 459 0.074 -11.888 -5.832 1.00 0.00 C ATOM 452 CG ASP A 459 0.812 -13.177 -5.529 1.00 0.00 C ATOM 453 OD1 ASP A 459 1.813 -13.464 -6.219 1.00 0.00 O ATOM 454 OD2 ASP A 459 0.389 -13.899 -4.602 1.00 0.00 O ATOM 0 H ASP A 459 1.108 -9.888 -3.915 1.00 0.00 H new ATOM 0 HA ASP A 459 1.792 -10.845 -6.590 1.00 0.00 H new ATOM 0 HB2 ASP A 459 -0.702 -11.732 -5.082 1.00 0.00 H new ATOM 0 HB3 ASP A 459 -0.427 -11.978 -6.796 1.00 0.00 H new ATOM 459 N ASP A 460 0.150 -9.187 -7.571 1.00 0.00 N ATOM 460 CA ASP A 460 -0.565 -8.029 -8.095 1.00 0.00 C ATOM 461 C ASP A 460 -1.935 -7.893 -7.436 1.00 0.00 C ATOM 462 O ASP A 460 -2.452 -6.787 -7.280 1.00 0.00 O ATOM 463 CB ASP A 460 -0.724 -8.144 -9.612 1.00 0.00 C ATOM 464 CG ASP A 460 -1.182 -9.523 -10.043 1.00 0.00 C ATOM 465 OD1 ASP A 460 -2.356 -9.865 -9.788 1.00 0.00 O ATOM 466 OD2 ASP A 460 -0.367 -10.261 -10.635 1.00 0.00 O ATOM 0 H ASP A 460 0.576 -9.778 -8.285 1.00 0.00 H new ATOM 0 HA ASP A 460 0.019 -7.138 -7.866 1.00 0.00 H new ATOM 0 HB2 ASP A 460 -1.444 -7.401 -9.956 1.00 0.00 H new ATOM 0 HB3 ASP A 460 0.227 -7.913 -10.093 1.00 0.00 H new ATOM 471 N ASP A 461 -2.516 -9.024 -7.053 1.00 0.00 N ATOM 472 CA ASP A 461 -3.825 -9.032 -6.412 1.00 0.00 C ATOM 473 C ASP A 461 -3.734 -8.501 -4.984 1.00 0.00 C ATOM 474 O ASP A 461 -4.574 -7.711 -4.549 1.00 0.00 O ATOM 475 CB ASP A 461 -4.407 -10.447 -6.407 1.00 0.00 C ATOM 476 CG ASP A 461 -4.605 -10.996 -7.806 1.00 0.00 C ATOM 477 OD1 ASP A 461 -5.571 -10.577 -8.477 1.00 0.00 O ATOM 478 OD2 ASP A 461 -3.793 -11.844 -8.230 1.00 0.00 O ATOM 0 H ASP A 461 -2.101 -9.948 -7.175 1.00 0.00 H new ATOM 0 HA ASP A 461 -4.485 -8.379 -6.983 1.00 0.00 H new ATOM 0 HB2 ASP A 461 -3.742 -11.108 -5.851 1.00 0.00 H new ATOM 0 HB3 ASP A 461 -5.363 -10.442 -5.883 1.00 0.00 H new ATOM 483 N LEU A 462 -2.712 -8.941 -4.259 1.00 0.00 N ATOM 484 CA LEU A 462 -2.511 -8.511 -2.880 1.00 0.00 C ATOM 485 C LEU A 462 -2.614 -6.994 -2.761 1.00 0.00 C ATOM 486 O LEU A 462 -3.353 -6.477 -1.925 1.00 0.00 O ATOM 487 CB LEU A 462 -1.147 -8.982 -2.371 1.00 0.00 C ATOM 488 CG LEU A 462 -0.868 -8.749 -0.886 1.00 0.00 C ATOM 489 CD1 LEU A 462 -1.783 -9.610 -0.029 1.00 0.00 C ATOM 490 CD2 LEU A 462 0.592 -9.039 -0.567 1.00 0.00 C ATOM 0 H LEU A 462 -2.009 -9.595 -4.603 1.00 0.00 H new ATOM 0 HA LEU A 462 -3.295 -8.959 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 462 -1.054 -10.049 -2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 462 -0.372 -8.479 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 462 -1.069 -7.702 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 462 -1.570 -9.431 1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 462 -2.822 -9.356 -0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 462 -1.614 -10.662 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 462 0.773 -8.868 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 462 0.819 -10.077 -0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 462 1.231 -8.380 -1.155 1.00 0.00 H new ATOM 502 N GLU A 463 -1.870 -6.288 -3.606 1.00 0.00 N ATOM 503 CA GLU A 463 -1.879 -4.830 -3.597 1.00 0.00 C ATOM 504 C GLU A 463 -3.298 -4.296 -3.419 1.00 0.00 C ATOM 505 O GLU A 463 -3.571 -3.520 -2.504 1.00 0.00 O ATOM 506 CB GLU A 463 -1.276 -4.285 -4.893 1.00 0.00 C ATOM 507 CG GLU A 463 -0.702 -2.885 -4.756 1.00 0.00 C ATOM 508 CD GLU A 463 -0.750 -2.105 -6.056 1.00 0.00 C ATOM 509 OE1 GLU A 463 -1.654 -2.370 -6.875 1.00 0.00 O ATOM 510 OE2 GLU A 463 0.118 -1.228 -6.253 1.00 0.00 O ATOM 0 H GLU A 463 -1.254 -6.702 -4.305 1.00 0.00 H new ATOM 0 HA GLU A 463 -1.274 -4.494 -2.755 1.00 0.00 H new ATOM 0 HB2 GLU A 463 -0.489 -4.960 -5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 463 -2.044 -4.280 -5.667 1.00 0.00 H new ATOM 0 HG2 GLU A 463 -1.256 -2.342 -3.990 1.00 0.00 H new ATOM 0 HG3 GLU A 463 0.331 -2.952 -4.415 1.00 0.00 H new ATOM 517 N GLY A 464 -4.198 -4.719 -4.302 1.00 0.00 N ATOM 518 CA GLY A 464 -5.577 -4.273 -4.226 1.00 0.00 C ATOM 519 C GLY A 464 -6.253 -4.696 -2.938 1.00 0.00 C ATOM 520 O GLY A 464 -6.981 -3.915 -2.326 1.00 0.00 O ATOM 0 H GLY A 464 -3.997 -5.362 -5.068 1.00 0.00 H new ATOM 0 HA2 GLY A 464 -5.609 -3.187 -4.310 1.00 0.00 H new ATOM 0 HA3 GLY A 464 -6.133 -4.675 -5.073 1.00 0.00 H new ATOM 524 N GLU A 465 -6.013 -5.937 -2.525 1.00 0.00 N ATOM 525 CA GLU A 465 -6.607 -6.463 -1.301 1.00 0.00 C ATOM 526 C GLU A 465 -6.368 -5.515 -0.130 1.00 0.00 C ATOM 527 O GLU A 465 -7.302 -5.135 0.577 1.00 0.00 O ATOM 528 CB GLU A 465 -6.031 -7.843 -0.980 1.00 0.00 C ATOM 529 CG GLU A 465 -6.331 -8.889 -2.041 1.00 0.00 C ATOM 530 CD GLU A 465 -5.875 -10.278 -1.636 1.00 0.00 C ATOM 531 OE1 GLU A 465 -6.116 -10.665 -0.473 1.00 0.00 O ATOM 532 OE2 GLU A 465 -5.278 -10.977 -2.481 1.00 0.00 O ATOM 0 H GLU A 465 -5.412 -6.596 -3.020 1.00 0.00 H new ATOM 0 HA GLU A 465 -7.682 -6.554 -1.459 1.00 0.00 H new ATOM 0 HB2 GLU A 465 -4.951 -7.758 -0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 465 -6.432 -8.181 -0.024 1.00 0.00 H new ATOM 0 HG2 GLU A 465 -7.403 -8.905 -2.237 1.00 0.00 H new ATOM 0 HG3 GLU A 465 -5.841 -8.607 -2.973 1.00 0.00 H new ATOM 539 N VAL A 466 -5.109 -5.137 0.071 1.00 0.00 N ATOM 540 CA VAL A 466 -4.746 -4.233 1.156 1.00 0.00 C ATOM 541 C VAL A 466 -5.423 -2.877 0.992 1.00 0.00 C ATOM 542 O VAL A 466 -5.948 -2.312 1.952 1.00 0.00 O ATOM 543 CB VAL A 466 -3.221 -4.028 1.228 1.00 0.00 C ATOM 544 CG1 VAL A 466 -2.869 -3.021 2.312 1.00 0.00 C ATOM 545 CG2 VAL A 466 -2.517 -5.354 1.471 1.00 0.00 C ATOM 0 H VAL A 466 -4.324 -5.443 -0.503 1.00 0.00 H new ATOM 0 HA VAL A 466 -5.088 -4.696 2.082 1.00 0.00 H new ATOM 0 HB VAL A 466 -2.879 -3.631 0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -1.788 -2.889 2.348 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -3.344 -2.066 2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -3.223 -3.386 3.276 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -1.440 -5.191 1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -2.862 -5.782 2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -2.744 -6.041 0.656 1.00 0.00 H new ATOM 555 N THR A 467 -5.408 -2.358 -0.232 1.00 0.00 N ATOM 556 CA THR A 467 -6.020 -1.068 -0.523 1.00 0.00 C ATOM 557 C THR A 467 -7.495 -1.059 -0.138 1.00 0.00 C ATOM 558 O THR A 467 -7.994 -0.083 0.420 1.00 0.00 O ATOM 559 CB THR A 467 -5.889 -0.707 -2.015 1.00 0.00 C ATOM 560 OG1 THR A 467 -4.521 -0.814 -2.426 1.00 0.00 O ATOM 561 CG2 THR A 467 -6.394 0.704 -2.277 1.00 0.00 C ATOM 0 H THR A 467 -4.978 -2.812 -1.038 1.00 0.00 H new ATOM 0 HA THR A 467 -5.488 -0.325 0.071 1.00 0.00 H new ATOM 0 HB THR A 467 -6.497 -1.405 -2.590 1.00 0.00 H new ATOM 0 HG1 THR A 467 -4.287 -1.759 -2.540 1.00 0.00 H new ATOM 0 HG21 THR A 467 -6.291 0.936 -3.337 1.00 0.00 H new ATOM 0 HG22 THR A 467 -7.443 0.774 -1.990 1.00 0.00 H new ATOM 0 HG23 THR A 467 -5.810 1.414 -1.692 1.00 0.00 H new ATOM 569 N GLU A 468 -8.187 -2.154 -0.440 1.00 0.00 N ATOM 570 CA GLU A 468 -9.606 -2.271 -0.125 1.00 0.00 C ATOM 571 C GLU A 468 -9.831 -2.255 1.384 1.00 0.00 C ATOM 572 O GLU A 468 -10.657 -1.497 1.891 1.00 0.00 O ATOM 573 CB GLU A 468 -10.180 -3.556 -0.724 1.00 0.00 C ATOM 574 CG GLU A 468 -10.162 -3.581 -2.243 1.00 0.00 C ATOM 575 CD GLU A 468 -10.370 -4.973 -2.806 1.00 0.00 C ATOM 576 OE1 GLU A 468 -9.609 -5.888 -2.426 1.00 0.00 O ATOM 577 OE2 GLU A 468 -11.294 -5.148 -3.628 1.00 0.00 O ATOM 0 H GLU A 468 -7.788 -2.971 -0.902 1.00 0.00 H new ATOM 0 HA GLU A 468 -10.121 -1.415 -0.561 1.00 0.00 H new ATOM 0 HB2 GLU A 468 -9.612 -4.407 -0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 468 -11.206 -3.681 -0.379 1.00 0.00 H new ATOM 0 HG2 GLU A 468 -10.941 -2.920 -2.623 1.00 0.00 H new ATOM 0 HG3 GLU A 468 -9.209 -3.188 -2.598 1.00 0.00 H new ATOM 584 N GLU A 469 -9.090 -3.099 2.096 1.00 0.00 N ATOM 585 CA GLU A 469 -9.210 -3.183 3.547 1.00 0.00 C ATOM 586 C GLU A 469 -9.072 -1.804 4.185 1.00 0.00 C ATOM 587 O GLU A 469 -9.880 -1.415 5.030 1.00 0.00 O ATOM 588 CB GLU A 469 -8.149 -4.129 4.114 1.00 0.00 C ATOM 589 CG GLU A 469 -8.288 -4.372 5.608 1.00 0.00 C ATOM 590 CD GLU A 469 -7.083 -5.080 6.197 1.00 0.00 C ATOM 591 OE1 GLU A 469 -6.040 -4.421 6.387 1.00 0.00 O ATOM 592 OE2 GLU A 469 -7.185 -6.295 6.470 1.00 0.00 O ATOM 0 H GLU A 469 -8.401 -3.733 1.692 1.00 0.00 H new ATOM 0 HA GLU A 469 -10.199 -3.575 3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 469 -8.209 -5.084 3.592 1.00 0.00 H new ATOM 0 HB3 GLU A 469 -7.161 -3.716 3.912 1.00 0.00 H new ATOM 0 HG2 GLU A 469 -8.429 -3.418 6.116 1.00 0.00 H new ATOM 0 HG3 GLU A 469 -9.182 -4.967 5.794 1.00 0.00 H new ATOM 599 N CYS A 470 -8.043 -1.070 3.776 1.00 0.00 N ATOM 600 CA CYS A 470 -7.797 0.266 4.308 1.00 0.00 C ATOM 601 C CYS A 470 -8.987 1.183 4.045 1.00 0.00 C ATOM 602 O CYS A 470 -9.295 2.063 4.848 1.00 0.00 O ATOM 603 CB CYS A 470 -6.533 0.860 3.687 1.00 0.00 C ATOM 604 SG CYS A 470 -5.012 -0.010 4.134 1.00 0.00 S ATOM 0 H CYS A 470 -7.366 -1.377 3.078 1.00 0.00 H new ATOM 0 HA CYS A 470 -7.658 0.181 5.386 1.00 0.00 H new ATOM 0 HB2 CYS A 470 -6.637 0.854 2.602 1.00 0.00 H new ATOM 0 HB3 CYS A 470 -6.446 1.902 3.993 1.00 0.00 H new ATOM 0 HG CYS A 470 -4.917 -1.103 3.437 1.00 0.00 H new ATOM 610 N GLY A 471 -9.652 0.972 2.913 1.00 0.00 N ATOM 611 CA GLY A 471 -10.800 1.789 2.563 1.00 0.00 C ATOM 612 C GLY A 471 -11.745 1.991 3.731 1.00 0.00 C ATOM 613 O GLY A 471 -12.370 3.045 3.859 1.00 0.00 O ATOM 0 H GLY A 471 -9.416 0.250 2.232 1.00 0.00 H new ATOM 0 HA2 GLY A 471 -10.456 2.760 2.206 1.00 0.00 H new ATOM 0 HA3 GLY A 471 -11.339 1.319 1.740 1.00 0.00 H new ATOM 617 N LYS A 472 -11.852 0.980 4.585 1.00 0.00 N ATOM 618 CA LYS A 472 -12.729 1.050 5.749 1.00 0.00 C ATOM 619 C LYS A 472 -12.445 2.304 6.569 1.00 0.00 C ATOM 620 O LYS A 472 -13.362 3.039 6.935 1.00 0.00 O ATOM 621 CB LYS A 472 -12.551 -0.195 6.622 1.00 0.00 C ATOM 622 CG LYS A 472 -13.401 -1.374 6.180 1.00 0.00 C ATOM 623 CD LYS A 472 -12.691 -2.210 5.129 1.00 0.00 C ATOM 624 CE LYS A 472 -13.604 -3.287 4.564 1.00 0.00 C ATOM 625 NZ LYS A 472 -13.541 -4.542 5.363 1.00 0.00 N ATOM 0 H LYS A 472 -11.342 0.101 4.494 1.00 0.00 H new ATOM 0 HA LYS A 472 -13.759 1.094 5.395 1.00 0.00 H new ATOM 0 HB2 LYS A 472 -11.502 -0.490 6.610 1.00 0.00 H new ATOM 0 HB3 LYS A 472 -12.800 0.056 7.653 1.00 0.00 H new ATOM 0 HG2 LYS A 472 -13.638 -1.997 7.043 1.00 0.00 H new ATOM 0 HG3 LYS A 472 -14.348 -1.011 5.779 1.00 0.00 H new ATOM 0 HD2 LYS A 472 -12.345 -1.564 4.322 1.00 0.00 H new ATOM 0 HD3 LYS A 472 -11.807 -2.674 5.567 1.00 0.00 H new ATOM 0 HE2 LYS A 472 -14.630 -2.920 4.545 1.00 0.00 H new ATOM 0 HE3 LYS A 472 -13.322 -3.498 3.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 472 -14.177 -5.251 4.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 472 -12.567 -4.906 5.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 472 -13.835 -4.346 6.341 1.00 0.00 H new ATOM 639 N PHE A 473 -11.169 2.543 6.853 1.00 0.00 N ATOM 640 CA PHE A 473 -10.765 3.710 7.630 1.00 0.00 C ATOM 641 C PHE A 473 -11.182 5.000 6.930 1.00 0.00 C ATOM 642 O PHE A 473 -11.852 5.848 7.517 1.00 0.00 O ATOM 643 CB PHE A 473 -9.250 3.702 7.850 1.00 0.00 C ATOM 644 CG PHE A 473 -8.725 2.389 8.356 1.00 0.00 C ATOM 645 CD1 PHE A 473 -9.013 1.962 9.642 1.00 0.00 C ATOM 646 CD2 PHE A 473 -7.942 1.583 7.546 1.00 0.00 C ATOM 647 CE1 PHE A 473 -8.531 0.755 10.111 1.00 0.00 C ATOM 648 CE2 PHE A 473 -7.458 0.374 8.009 1.00 0.00 C ATOM 649 CZ PHE A 473 -7.751 -0.040 9.293 1.00 0.00 C ATOM 0 H PHE A 473 -10.397 1.945 6.557 1.00 0.00 H new ATOM 0 HA PHE A 473 -11.266 3.664 8.597 1.00 0.00 H new ATOM 0 HB2 PHE A 473 -8.753 3.945 6.911 1.00 0.00 H new ATOM 0 HB3 PHE A 473 -8.990 4.486 8.561 1.00 0.00 H new ATOM 0 HD1 PHE A 473 -9.622 2.580 10.286 1.00 0.00 H new ATOM 0 HD2 PHE A 473 -7.707 1.903 6.542 1.00 0.00 H new ATOM 0 HE1 PHE A 473 -8.764 0.433 11.115 1.00 0.00 H new ATOM 0 HE2 PHE A 473 -6.851 -0.247 7.367 1.00 0.00 H new ATOM 0 HZ PHE A 473 -7.371 -0.983 9.657 1.00 0.00 H new ATOM 659 N GLY A 474 -10.779 5.141 5.671 1.00 0.00 N ATOM 660 CA GLY A 474 -11.119 6.330 4.912 1.00 0.00 C ATOM 661 C GLY A 474 -10.771 6.199 3.442 1.00 0.00 C ATOM 662 O GLY A 474 -10.930 5.131 2.852 1.00 0.00 O ATOM 0 H GLY A 474 -10.223 4.453 5.163 1.00 0.00 H new ATOM 0 HA2 GLY A 474 -12.186 6.529 5.013 1.00 0.00 H new ATOM 0 HA3 GLY A 474 -10.593 7.188 5.332 1.00 0.00 H new ATOM 666 N ALA A 475 -10.295 7.289 2.849 1.00 0.00 N ATOM 667 CA ALA A 475 -9.922 7.292 1.440 1.00 0.00 C ATOM 668 C ALA A 475 -8.440 6.982 1.263 1.00 0.00 C ATOM 669 O ALA A 475 -7.579 7.739 1.712 1.00 0.00 O ATOM 670 CB ALA A 475 -10.263 8.632 0.807 1.00 0.00 C ATOM 0 H ALA A 475 -10.159 8.182 3.323 1.00 0.00 H new ATOM 0 HA ALA A 475 -10.491 6.510 0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 475 -9.979 8.620 -0.245 1.00 0.00 H new ATOM 0 HB2 ALA A 475 -11.335 8.812 0.892 1.00 0.00 H new ATOM 0 HB3 ALA A 475 -9.720 9.426 1.320 1.00 0.00 H new ATOM 676 N VAL A 476 -8.147 5.864 0.607 1.00 0.00 N ATOM 677 CA VAL A 476 -6.768 5.454 0.371 1.00 0.00 C ATOM 678 C VAL A 476 -6.109 6.330 -0.689 1.00 0.00 C ATOM 679 O VAL A 476 -6.566 6.391 -1.830 1.00 0.00 O ATOM 680 CB VAL A 476 -6.688 3.982 -0.073 1.00 0.00 C ATOM 681 CG1 VAL A 476 -5.252 3.598 -0.395 1.00 0.00 C ATOM 682 CG2 VAL A 476 -7.264 3.070 1.000 1.00 0.00 C ATOM 0 H VAL A 476 -8.847 5.225 0.229 1.00 0.00 H new ATOM 0 HA VAL A 476 -6.237 5.569 1.316 1.00 0.00 H new ATOM 0 HB VAL A 476 -7.283 3.861 -0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.216 2.554 -0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -4.878 4.230 -1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -4.632 3.734 0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -7.199 2.033 0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -6.698 3.192 1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -8.308 3.330 1.177 1.00 0.00 H new ATOM 692 N ASN A 477 -5.031 7.005 -0.305 1.00 0.00 N ATOM 693 CA ASN A 477 -4.308 7.878 -1.223 1.00 0.00 C ATOM 694 C ASN A 477 -3.411 7.066 -2.152 1.00 0.00 C ATOM 695 O ASN A 477 -3.527 7.152 -3.375 1.00 0.00 O ATOM 696 CB ASN A 477 -3.468 8.891 -0.441 1.00 0.00 C ATOM 697 CG ASN A 477 -3.044 10.070 -1.295 1.00 0.00 C ATOM 698 OD1 ASN A 477 -2.315 9.912 -2.274 1.00 0.00 O ATOM 699 ND2 ASN A 477 -3.499 11.262 -0.925 1.00 0.00 N ATOM 0 H ASN A 477 -4.638 6.964 0.636 1.00 0.00 H new ATOM 0 HA ASN A 477 -5.039 8.413 -1.829 1.00 0.00 H new ATOM 0 HB2 ASN A 477 -4.041 9.252 0.413 1.00 0.00 H new ATOM 0 HB3 ASN A 477 -2.582 8.395 -0.044 1.00 0.00 H new ATOM 0 HD21 ASN A 477 -3.246 12.093 -1.460 1.00 0.00 H new ATOM 0 HD22 ASN A 477 -4.101 11.346 -0.106 1.00 0.00 H new ATOM 706 N ARG A 478 -2.517 6.278 -1.563 1.00 0.00 N ATOM 707 CA ARG A 478 -1.600 5.451 -2.338 1.00 0.00 C ATOM 708 C ARG A 478 -0.978 4.364 -1.466 1.00 0.00 C ATOM 709 O ARG A 478 -0.933 4.487 -0.242 1.00 0.00 O ATOM 710 CB ARG A 478 -0.500 6.315 -2.957 1.00 0.00 C ATOM 711 CG ARG A 478 0.384 7.003 -1.930 1.00 0.00 C ATOM 712 CD ARG A 478 1.746 7.352 -2.512 1.00 0.00 C ATOM 713 NE ARG A 478 2.357 8.489 -1.829 1.00 0.00 N ATOM 714 CZ ARG A 478 3.277 9.270 -2.383 1.00 0.00 C ATOM 715 NH1 ARG A 478 3.690 9.039 -3.622 1.00 0.00 N ATOM 716 NH2 ARG A 478 3.786 10.286 -1.698 1.00 0.00 N ATOM 0 H ARG A 478 -2.408 6.195 -0.552 1.00 0.00 H new ATOM 0 HA ARG A 478 -2.168 4.972 -3.135 1.00 0.00 H new ATOM 0 HB2 ARG A 478 0.122 5.692 -3.600 1.00 0.00 H new ATOM 0 HB3 ARG A 478 -0.959 7.071 -3.594 1.00 0.00 H new ATOM 0 HG2 ARG A 478 -0.105 7.911 -1.577 1.00 0.00 H new ATOM 0 HG3 ARG A 478 0.513 6.353 -1.065 1.00 0.00 H new ATOM 0 HD2 ARG A 478 2.405 6.487 -2.437 1.00 0.00 H new ATOM 0 HD3 ARG A 478 1.640 7.580 -3.572 1.00 0.00 H new ATOM 0 HE ARG A 478 2.061 8.694 -0.875 1.00 0.00 H new ATOM 0 HH11 ARG A 478 3.301 8.259 -4.152 1.00 0.00 H new ATOM 0 HH12 ARG A 478 4.397 9.641 -4.045 1.00 0.00 H new ATOM 0 HH21 ARG A 478 3.471 10.468 -0.745 1.00 0.00 H new ATOM 0 HH22 ARG A 478 4.493 10.885 -2.124 1.00 0.00 H new ATOM 730 N VAL A 479 -0.500 3.301 -2.104 1.00 0.00 N ATOM 731 CA VAL A 479 0.120 2.193 -1.387 1.00 0.00 C ATOM 732 C VAL A 479 1.430 1.776 -2.047 1.00 0.00 C ATOM 733 O VAL A 479 1.558 1.810 -3.271 1.00 0.00 O ATOM 734 CB VAL A 479 -0.819 0.974 -1.318 1.00 0.00 C ATOM 735 CG1 VAL A 479 -0.140 -0.183 -0.601 1.00 0.00 C ATOM 736 CG2 VAL A 479 -2.124 1.346 -0.630 1.00 0.00 C ATOM 0 H VAL A 479 -0.530 3.183 -3.117 1.00 0.00 H new ATOM 0 HA VAL A 479 0.322 2.544 -0.375 1.00 0.00 H new ATOM 0 HB VAL A 479 -1.048 0.655 -2.335 1.00 0.00 H new ATOM 0 HG11 VAL A 479 -0.818 -1.035 -0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 479 0.765 -0.464 -1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 479 0.121 0.120 0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 479 -2.776 0.473 -0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 479 -1.916 1.691 0.383 1.00 0.00 H new ATOM 0 HG23 VAL A 479 -2.617 2.141 -1.190 1.00 0.00 H new ATOM 746 N ILE A 480 2.399 1.381 -1.228 1.00 0.00 N ATOM 747 CA ILE A 480 3.698 0.955 -1.732 1.00 0.00 C ATOM 748 C ILE A 480 4.209 -0.266 -0.974 1.00 0.00 C ATOM 749 O ILE A 480 4.037 -0.370 0.241 1.00 0.00 O ATOM 750 CB ILE A 480 4.740 2.084 -1.627 1.00 0.00 C ATOM 751 CG1 ILE A 480 4.289 3.301 -2.437 1.00 0.00 C ATOM 752 CG2 ILE A 480 6.099 1.596 -2.107 1.00 0.00 C ATOM 753 CD1 ILE A 480 5.005 4.578 -2.057 1.00 0.00 C ATOM 0 H ILE A 480 2.309 1.347 -0.213 1.00 0.00 H new ATOM 0 HA ILE A 480 3.560 0.696 -2.782 1.00 0.00 H new ATOM 0 HB ILE A 480 4.830 2.380 -0.582 1.00 0.00 H new ATOM 0 HG12 ILE A 480 4.453 3.103 -3.496 1.00 0.00 H new ATOM 0 HG13 ILE A 480 3.217 3.441 -2.301 1.00 0.00 H new ATOM 0 HG21 ILE A 480 6.825 2.405 -2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 480 6.422 0.756 -1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 480 6.025 1.277 -3.147 1.00 0.00 H new ATOM 0 HD11 ILE A 480 4.635 5.399 -2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 480 4.821 4.800 -1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 480 6.076 4.457 -2.220 1.00 0.00 H new ATOM 765 N ILE A 481 4.838 -1.185 -1.698 1.00 0.00 N ATOM 766 CA ILE A 481 5.376 -2.396 -1.093 1.00 0.00 C ATOM 767 C ILE A 481 6.891 -2.467 -1.259 1.00 0.00 C ATOM 768 O ILE A 481 7.395 -2.741 -2.348 1.00 0.00 O ATOM 769 CB ILE A 481 4.745 -3.660 -1.706 1.00 0.00 C ATOM 770 CG1 ILE A 481 3.230 -3.656 -1.490 1.00 0.00 C ATOM 771 CG2 ILE A 481 5.368 -4.910 -1.102 1.00 0.00 C ATOM 772 CD1 ILE A 481 2.502 -4.710 -2.294 1.00 0.00 C ATOM 0 H ILE A 481 4.987 -1.114 -2.704 1.00 0.00 H new ATOM 0 HA ILE A 481 5.130 -2.355 -0.032 1.00 0.00 H new ATOM 0 HB ILE A 481 4.941 -3.662 -2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 481 3.022 -3.810 -0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 481 2.836 -2.674 -1.753 1.00 0.00 H new ATOM 0 HG21 ILE A 481 4.911 -5.795 -1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 481 6.439 -4.916 -1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 481 5.200 -4.916 -0.025 1.00 0.00 H new ATOM 0 HD11 ILE A 481 1.433 -4.648 -2.091 1.00 0.00 H new ATOM 0 HD12 ILE A 481 2.680 -4.544 -3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 481 2.868 -5.698 -2.015 1.00 0.00 H new ATOM 784 N TYR A 482 7.611 -2.220 -0.170 1.00 0.00 N ATOM 785 CA TYR A 482 9.069 -2.255 -0.194 1.00 0.00 C ATOM 786 C TYR A 482 9.599 -3.435 0.615 1.00 0.00 C ATOM 787 O TYR A 482 9.209 -3.637 1.765 1.00 0.00 O ATOM 788 CB TYR A 482 9.640 -0.947 0.356 1.00 0.00 C ATOM 789 CG TYR A 482 11.050 -0.660 -0.108 1.00 0.00 C ATOM 790 CD1 TYR A 482 12.142 -1.256 0.512 1.00 0.00 C ATOM 791 CD2 TYR A 482 11.292 0.206 -1.167 1.00 0.00 C ATOM 792 CE1 TYR A 482 13.432 -0.996 0.092 1.00 0.00 C ATOM 793 CE2 TYR A 482 12.578 0.471 -1.595 1.00 0.00 C ATOM 794 CZ TYR A 482 13.645 -0.132 -0.962 1.00 0.00 C ATOM 795 OH TYR A 482 14.928 0.128 -1.384 1.00 0.00 O ATOM 0 H TYR A 482 7.209 -1.994 0.740 1.00 0.00 H new ATOM 0 HA TYR A 482 9.388 -2.376 -1.229 1.00 0.00 H new ATOM 0 HB2 TYR A 482 8.993 -0.123 0.056 1.00 0.00 H new ATOM 0 HB3 TYR A 482 9.625 -0.983 1.445 1.00 0.00 H new ATOM 0 HD1 TYR A 482 11.979 -1.934 1.337 1.00 0.00 H new ATOM 0 HD2 TYR A 482 10.459 0.681 -1.665 1.00 0.00 H new ATOM 0 HE1 TYR A 482 14.269 -1.467 0.586 1.00 0.00 H new ATOM 0 HE2 TYR A 482 12.747 1.146 -2.421 1.00 0.00 H new ATOM 0 HH TYR A 482 14.904 0.756 -2.136 1.00 0.00 H new ATOM 805 N GLN A 483 10.490 -4.210 0.005 1.00 0.00 N ATOM 806 CA GLN A 483 11.074 -5.369 0.668 1.00 0.00 C ATOM 807 C GLN A 483 12.569 -5.466 0.381 1.00 0.00 C ATOM 808 O GLN A 483 13.042 -4.999 -0.655 1.00 0.00 O ATOM 809 CB GLN A 483 10.372 -6.650 0.214 1.00 0.00 C ATOM 810 CG GLN A 483 10.603 -6.984 -1.251 1.00 0.00 C ATOM 811 CD GLN A 483 9.539 -7.905 -1.814 1.00 0.00 C ATOM 812 OE1 GLN A 483 8.285 -7.476 -1.741 1.00 0.00 O flip ATOM 813 NE2 GLN A 483 9.841 -8.991 -2.310 1.00 0.00 N flip ATOM 0 H GLN A 483 10.823 -4.056 -0.947 1.00 0.00 H new ATOM 0 HA GLN A 483 10.936 -5.248 1.742 1.00 0.00 H new ATOM 0 HB2 GLN A 483 10.720 -7.482 0.827 1.00 0.00 H new ATOM 0 HB3 GLN A 483 9.301 -6.550 0.391 1.00 0.00 H new ATOM 0 HG2 GLN A 483 10.624 -6.061 -1.831 1.00 0.00 H new ATOM 0 HG3 GLN A 483 11.581 -7.453 -1.363 1.00 0.00 H new ATOM 0 HE21 GLN A 483 10.818 -9.281 -2.346 1.00 0.00 H new ATOM 0 HE22 GLN A 483 9.114 -9.600 -2.685 1.00 0.00 H new ATOM 822 N GLU A 484 13.306 -6.073 1.305 1.00 0.00 N ATOM 823 CA GLU A 484 14.748 -6.229 1.150 1.00 0.00 C ATOM 824 C GLU A 484 15.320 -7.120 2.249 1.00 0.00 C ATOM 825 O GLU A 484 14.701 -7.310 3.295 1.00 0.00 O ATOM 826 CB GLU A 484 15.436 -4.862 1.175 1.00 0.00 C ATOM 827 CG GLU A 484 16.898 -4.910 0.763 1.00 0.00 C ATOM 828 CD GLU A 484 17.089 -5.426 -0.649 1.00 0.00 C ATOM 829 OE1 GLU A 484 16.285 -5.058 -1.531 1.00 0.00 O ATOM 830 OE2 GLU A 484 18.045 -6.200 -0.873 1.00 0.00 O ATOM 0 H GLU A 484 12.929 -6.465 2.168 1.00 0.00 H new ATOM 0 HA GLU A 484 14.936 -6.704 0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 484 14.902 -4.183 0.510 1.00 0.00 H new ATOM 0 HB3 GLU A 484 15.364 -4.446 2.180 1.00 0.00 H new ATOM 0 HG2 GLU A 484 17.327 -3.911 0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 484 17.446 -5.548 1.456 1.00 0.00 H new ATOM 837 N LYS A 485 16.507 -7.664 2.002 1.00 0.00 N ATOM 838 CA LYS A 485 17.166 -8.534 2.969 1.00 0.00 C ATOM 839 C LYS A 485 17.756 -7.723 4.118 1.00 0.00 C ATOM 840 O LYS A 485 18.382 -6.687 3.900 1.00 0.00 O ATOM 841 CB LYS A 485 18.267 -9.348 2.286 1.00 0.00 C ATOM 842 CG LYS A 485 18.620 -10.630 3.020 1.00 0.00 C ATOM 843 CD LYS A 485 19.663 -11.436 2.264 1.00 0.00 C ATOM 844 CE LYS A 485 19.021 -12.348 1.230 1.00 0.00 C ATOM 845 NZ LYS A 485 19.954 -12.663 0.113 1.00 0.00 N ATOM 0 H LYS A 485 17.032 -7.518 1.140 1.00 0.00 H new ATOM 0 HA LYS A 485 16.419 -9.215 3.376 1.00 0.00 H new ATOM 0 HB2 LYS A 485 17.949 -9.595 1.273 1.00 0.00 H new ATOM 0 HB3 LYS A 485 19.162 -8.731 2.198 1.00 0.00 H new ATOM 0 HG2 LYS A 485 18.995 -10.389 4.015 1.00 0.00 H new ATOM 0 HG3 LYS A 485 17.721 -11.232 3.155 1.00 0.00 H new ATOM 0 HD2 LYS A 485 20.360 -10.759 1.771 1.00 0.00 H new ATOM 0 HD3 LYS A 485 20.243 -12.033 2.968 1.00 0.00 H new ATOM 0 HE2 LYS A 485 18.703 -13.274 1.710 1.00 0.00 H new ATOM 0 HE3 LYS A 485 18.125 -11.871 0.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 485 19.479 -13.287 -0.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 485 20.238 -11.782 -0.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 485 20.798 -13.141 0.490 1.00 0.00 H new ATOM 950 N GLU A 493 16.266 -13.579 6.787 1.00 0.00 N ATOM 951 CA GLU A 493 14.845 -13.254 6.751 1.00 0.00 C ATOM 952 C GLU A 493 14.587 -12.041 5.861 1.00 0.00 C ATOM 953 O GLU A 493 15.422 -11.141 5.763 1.00 0.00 O ATOM 954 CB GLU A 493 14.326 -12.982 8.164 1.00 0.00 C ATOM 955 CG GLU A 493 12.810 -13.013 8.272 1.00 0.00 C ATOM 956 CD GLU A 493 12.259 -14.424 8.345 1.00 0.00 C ATOM 957 OE1 GLU A 493 12.280 -15.012 9.447 1.00 0.00 O ATOM 958 OE2 GLU A 493 11.808 -14.940 7.302 1.00 0.00 O ATOM 0 HA GLU A 493 14.313 -14.109 6.334 1.00 0.00 H new ATOM 0 HB2 GLU A 493 14.746 -13.722 8.845 1.00 0.00 H new ATOM 0 HB3 GLU A 493 14.685 -12.007 8.493 1.00 0.00 H new ATOM 0 HG2 GLU A 493 12.501 -12.460 9.159 1.00 0.00 H new ATOM 0 HG3 GLU A 493 12.378 -12.502 7.412 1.00 0.00 H new ATOM 965 N ILE A 494 13.427 -12.026 5.214 1.00 0.00 N ATOM 966 CA ILE A 494 13.059 -10.925 4.332 1.00 0.00 C ATOM 967 C ILE A 494 11.870 -10.150 4.889 1.00 0.00 C ATOM 968 O ILE A 494 10.751 -10.661 4.939 1.00 0.00 O ATOM 969 CB ILE A 494 12.712 -11.428 2.918 1.00 0.00 C ATOM 970 CG1 ILE A 494 13.920 -12.128 2.292 1.00 0.00 C ATOM 971 CG2 ILE A 494 12.250 -10.272 2.043 1.00 0.00 C ATOM 972 CD1 ILE A 494 15.149 -11.249 2.204 1.00 0.00 C ATOM 0 H ILE A 494 12.726 -12.763 5.284 1.00 0.00 H new ATOM 0 HA ILE A 494 13.925 -10.265 4.272 1.00 0.00 H new ATOM 0 HB ILE A 494 11.897 -12.148 2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 494 14.159 -13.016 2.878 1.00 0.00 H new ATOM 0 HG13 ILE A 494 13.654 -12.468 1.291 1.00 0.00 H new ATOM 0 HG21 ILE A 494 12.009 -10.643 1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 494 11.365 -9.813 2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 494 13.045 -9.530 1.971 1.00 0.00 H new ATOM 0 HD11 ILE A 494 15.966 -11.810 1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 494 14.927 -10.374 1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 494 15.440 -10.929 3.205 1.00 0.00 H new ATOM 984 N ILE A 495 12.120 -8.913 5.304 1.00 0.00 N ATOM 985 CA ILE A 495 11.069 -8.065 5.855 1.00 0.00 C ATOM 986 C ILE A 495 10.233 -7.436 4.745 1.00 0.00 C ATOM 987 O ILE A 495 10.642 -7.408 3.585 1.00 0.00 O ATOM 988 CB ILE A 495 11.653 -6.947 6.739 1.00 0.00 C ATOM 989 CG1 ILE A 495 12.446 -5.954 5.886 1.00 0.00 C ATOM 990 CG2 ILE A 495 12.535 -7.539 7.828 1.00 0.00 C ATOM 991 CD1 ILE A 495 11.573 -4.989 5.115 1.00 0.00 C ATOM 0 H ILE A 495 13.041 -8.475 5.269 1.00 0.00 H new ATOM 0 HA ILE A 495 10.434 -8.706 6.467 1.00 0.00 H new ATOM 0 HB ILE A 495 10.830 -6.413 7.215 1.00 0.00 H new ATOM 0 HG12 ILE A 495 13.117 -5.388 6.532 1.00 0.00 H new ATOM 0 HG13 ILE A 495 13.070 -6.507 5.184 1.00 0.00 H new ATOM 0 HG21 ILE A 495 12.940 -6.736 8.444 1.00 0.00 H new ATOM 0 HG22 ILE A 495 11.944 -8.211 8.450 1.00 0.00 H new ATOM 0 HG23 ILE A 495 13.354 -8.094 7.371 1.00 0.00 H new ATOM 0 HD11 ILE A 495 12.202 -4.315 4.533 1.00 0.00 H new ATOM 0 HD12 ILE A 495 10.920 -5.546 4.444 1.00 0.00 H new ATOM 0 HD13 ILE A 495 10.968 -4.409 5.812 1.00 0.00 H new ATOM 1003 N VAL A 496 9.059 -6.930 5.111 1.00 0.00 N ATOM 1004 CA VAL A 496 8.166 -6.299 4.148 1.00 0.00 C ATOM 1005 C VAL A 496 7.501 -5.063 4.743 1.00 0.00 C ATOM 1006 O VAL A 496 6.725 -5.158 5.694 1.00 0.00 O ATOM 1007 CB VAL A 496 7.074 -7.275 3.670 1.00 0.00 C ATOM 1008 CG1 VAL A 496 6.056 -6.554 2.799 1.00 0.00 C ATOM 1009 CG2 VAL A 496 7.696 -8.444 2.921 1.00 0.00 C ATOM 0 H VAL A 496 8.705 -6.945 6.068 1.00 0.00 H new ATOM 0 HA VAL A 496 8.778 -6.005 3.296 1.00 0.00 H new ATOM 0 HB VAL A 496 6.554 -7.668 4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 496 5.293 -7.260 2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 496 5.588 -5.754 3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 496 6.557 -6.131 1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 496 6.911 -9.124 2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 496 8.242 -8.072 2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 496 8.382 -8.975 3.581 1.00 0.00 H new ATOM 1019 N LYS A 497 7.810 -3.901 4.177 1.00 0.00 N ATOM 1020 CA LYS A 497 7.242 -2.644 4.649 1.00 0.00 C ATOM 1021 C LYS A 497 6.148 -2.153 3.707 1.00 0.00 C ATOM 1022 O LYS A 497 6.416 -1.812 2.554 1.00 0.00 O ATOM 1023 CB LYS A 497 8.336 -1.581 4.775 1.00 0.00 C ATOM 1024 CG LYS A 497 9.017 -1.568 6.133 1.00 0.00 C ATOM 1025 CD LYS A 497 10.056 -0.463 6.224 1.00 0.00 C ATOM 1026 CE LYS A 497 11.418 -0.939 5.742 1.00 0.00 C ATOM 1027 NZ LYS A 497 12.237 0.181 5.200 1.00 0.00 N ATOM 0 H LYS A 497 8.451 -3.804 3.390 1.00 0.00 H new ATOM 0 HA LYS A 497 6.800 -2.820 5.630 1.00 0.00 H new ATOM 0 HB2 LYS A 497 9.087 -1.751 4.003 1.00 0.00 H new ATOM 0 HB3 LYS A 497 7.901 -0.600 4.586 1.00 0.00 H new ATOM 0 HG2 LYS A 497 8.270 -1.432 6.915 1.00 0.00 H new ATOM 0 HG3 LYS A 497 9.493 -2.532 6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 497 9.735 0.390 5.626 1.00 0.00 H new ATOM 0 HD3 LYS A 497 10.133 -0.119 7.255 1.00 0.00 H new ATOM 0 HE2 LYS A 497 11.950 -1.412 6.567 1.00 0.00 H new ATOM 0 HE3 LYS A 497 11.286 -1.698 4.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 497 13.157 -0.184 4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 497 11.741 0.617 4.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 497 12.385 0.894 5.943 1.00 0.00 H new ATOM 1041 N ILE A 498 4.916 -2.118 4.204 1.00 0.00 N ATOM 1042 CA ILE A 498 3.783 -1.665 3.407 1.00 0.00 C ATOM 1043 C ILE A 498 3.371 -0.248 3.791 1.00 0.00 C ATOM 1044 O ILE A 498 2.826 -0.020 4.871 1.00 0.00 O ATOM 1045 CB ILE A 498 2.571 -2.602 3.568 1.00 0.00 C ATOM 1046 CG1 ILE A 498 2.937 -4.024 3.136 1.00 0.00 C ATOM 1047 CG2 ILE A 498 1.390 -2.084 2.760 1.00 0.00 C ATOM 1048 CD1 ILE A 498 1.971 -5.075 3.638 1.00 0.00 C ATOM 0 H ILE A 498 4.677 -2.398 5.155 1.00 0.00 H new ATOM 0 HA ILE A 498 4.105 -1.677 2.366 1.00 0.00 H new ATOM 0 HB ILE A 498 2.285 -2.624 4.619 1.00 0.00 H new ATOM 0 HG12 ILE A 498 2.974 -4.066 2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 498 3.938 -4.259 3.498 1.00 0.00 H new ATOM 0 HG21 ILE A 498 0.541 -2.757 2.884 1.00 0.00 H new ATOM 0 HG22 ILE A 498 1.118 -1.088 3.111 1.00 0.00 H new ATOM 0 HG23 ILE A 498 1.664 -2.035 1.706 1.00 0.00 H new ATOM 0 HD11 ILE A 498 2.292 -6.058 3.294 1.00 0.00 H new ATOM 0 HD12 ILE A 498 1.951 -5.060 4.728 1.00 0.00 H new ATOM 0 HD13 ILE A 498 0.973 -4.865 3.254 1.00 0.00 H new ATOM 1060 N PHE A 499 3.634 0.701 2.899 1.00 0.00 N ATOM 1061 CA PHE A 499 3.289 2.096 3.143 1.00 0.00 C ATOM 1062 C PHE A 499 1.871 2.398 2.669 1.00 0.00 C ATOM 1063 O PHE A 499 1.529 2.167 1.509 1.00 0.00 O ATOM 1064 CB PHE A 499 4.283 3.021 2.436 1.00 0.00 C ATOM 1065 CG PHE A 499 5.718 2.721 2.763 1.00 0.00 C ATOM 1066 CD1 PHE A 499 6.425 1.776 2.038 1.00 0.00 C ATOM 1067 CD2 PHE A 499 6.359 3.385 3.796 1.00 0.00 C ATOM 1068 CE1 PHE A 499 7.745 1.498 2.336 1.00 0.00 C ATOM 1069 CE2 PHE A 499 7.680 3.112 4.099 1.00 0.00 C ATOM 1070 CZ PHE A 499 8.373 2.166 3.369 1.00 0.00 C ATOM 0 H PHE A 499 4.085 0.529 2.000 1.00 0.00 H new ATOM 0 HA PHE A 499 3.339 2.273 4.217 1.00 0.00 H new ATOM 0 HB2 PHE A 499 4.140 2.940 1.359 1.00 0.00 H new ATOM 0 HB3 PHE A 499 4.064 4.053 2.710 1.00 0.00 H new ATOM 0 HD1 PHE A 499 5.938 1.250 1.230 1.00 0.00 H new ATOM 0 HD2 PHE A 499 5.821 4.124 4.371 1.00 0.00 H new ATOM 0 HE1 PHE A 499 8.285 0.759 1.762 1.00 0.00 H new ATOM 0 HE2 PHE A 499 8.170 3.638 4.905 1.00 0.00 H new ATOM 0 HZ PHE A 499 9.404 1.949 3.606 1.00 0.00 H new ATOM 1080 N VAL A 500 1.047 2.914 3.576 1.00 0.00 N ATOM 1081 CA VAL A 500 -0.335 3.248 3.252 1.00 0.00 C ATOM 1082 C VAL A 500 -0.651 4.694 3.618 1.00 0.00 C ATOM 1083 O VAL A 500 -0.747 5.039 4.795 1.00 0.00 O ATOM 1084 CB VAL A 500 -1.322 2.318 3.980 1.00 0.00 C ATOM 1085 CG1 VAL A 500 -2.758 2.718 3.675 1.00 0.00 C ATOM 1086 CG2 VAL A 500 -1.071 0.868 3.594 1.00 0.00 C ATOM 0 H VAL A 500 1.313 3.110 4.541 1.00 0.00 H new ATOM 0 HA VAL A 500 -0.449 3.116 2.176 1.00 0.00 H new ATOM 0 HB VAL A 500 -1.163 2.418 5.054 1.00 0.00 H new ATOM 0 HG11 VAL A 500 -3.441 2.049 4.199 1.00 0.00 H new ATOM 0 HG12 VAL A 500 -2.928 3.742 4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -2.935 2.649 2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 500 -1.778 0.224 4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 500 -1.201 0.750 2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 500 -0.054 0.589 3.869 1.00 0.00 H new ATOM 1096 N GLU A 501 -0.812 5.535 2.601 1.00 0.00 N ATOM 1097 CA GLU A 501 -1.117 6.944 2.817 1.00 0.00 C ATOM 1098 C GLU A 501 -2.573 7.244 2.471 1.00 0.00 C ATOM 1099 O GLU A 501 -3.095 6.768 1.463 1.00 0.00 O ATOM 1100 CB GLU A 501 -0.190 7.824 1.976 1.00 0.00 C ATOM 1101 CG GLU A 501 -0.540 9.302 2.030 1.00 0.00 C ATOM 1102 CD GLU A 501 -0.130 10.045 0.773 1.00 0.00 C ATOM 1103 OE1 GLU A 501 0.833 9.604 0.110 1.00 0.00 O ATOM 1104 OE2 GLU A 501 -0.772 11.067 0.452 1.00 0.00 O ATOM 0 H GLU A 501 -0.736 5.265 1.620 1.00 0.00 H new ATOM 0 HA GLU A 501 -0.959 7.166 3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 501 0.836 7.689 2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 501 -0.226 7.488 0.940 1.00 0.00 H new ATOM 0 HG2 GLU A 501 -1.614 9.412 2.178 1.00 0.00 H new ATOM 0 HG3 GLU A 501 -0.051 9.756 2.892 1.00 0.00 H new ATOM 1111 N PHE A 502 -3.224 8.037 3.316 1.00 0.00 N ATOM 1112 CA PHE A 502 -4.620 8.400 3.102 1.00 0.00 C ATOM 1113 C PHE A 502 -4.742 9.855 2.660 1.00 0.00 C ATOM 1114 O PHE A 502 -3.765 10.604 2.676 1.00 0.00 O ATOM 1115 CB PHE A 502 -5.430 8.174 4.381 1.00 0.00 C ATOM 1116 CG PHE A 502 -5.377 6.760 4.882 1.00 0.00 C ATOM 1117 CD1 PHE A 502 -4.274 6.300 5.584 1.00 0.00 C ATOM 1118 CD2 PHE A 502 -6.430 5.889 4.651 1.00 0.00 C ATOM 1119 CE1 PHE A 502 -4.223 4.998 6.045 1.00 0.00 C ATOM 1120 CE2 PHE A 502 -6.385 4.586 5.110 1.00 0.00 C ATOM 1121 CZ PHE A 502 -5.280 4.141 5.809 1.00 0.00 C ATOM 0 H PHE A 502 -2.807 8.440 4.155 1.00 0.00 H new ATOM 0 HA PHE A 502 -5.018 7.764 2.311 1.00 0.00 H new ATOM 0 HB2 PHE A 502 -5.059 8.841 5.159 1.00 0.00 H new ATOM 0 HB3 PHE A 502 -6.469 8.447 4.196 1.00 0.00 H new ATOM 0 HD1 PHE A 502 -3.445 6.966 5.773 1.00 0.00 H new ATOM 0 HD2 PHE A 502 -7.296 6.233 4.106 1.00 0.00 H new ATOM 0 HE1 PHE A 502 -3.357 4.651 6.589 1.00 0.00 H new ATOM 0 HE2 PHE A 502 -7.212 3.917 4.922 1.00 0.00 H new ATOM 0 HZ PHE A 502 -5.243 3.124 6.171 1.00 0.00 H new ATOM 1131 N SER A 503 -5.949 10.248 2.264 1.00 0.00 N ATOM 1132 CA SER A 503 -6.198 11.612 1.813 1.00 0.00 C ATOM 1133 C SER A 503 -5.873 12.617 2.914 1.00 0.00 C ATOM 1134 O SER A 503 -5.175 13.605 2.681 1.00 0.00 O ATOM 1135 CB SER A 503 -7.657 11.769 1.378 1.00 0.00 C ATOM 1136 OG SER A 503 -7.912 13.083 0.913 1.00 0.00 O ATOM 0 H SER A 503 -6.769 9.641 2.246 1.00 0.00 H new ATOM 0 HA SER A 503 -5.548 11.811 0.961 1.00 0.00 H new ATOM 0 HB2 SER A 503 -7.884 11.051 0.590 1.00 0.00 H new ATOM 0 HB3 SER A 503 -8.316 11.542 2.216 1.00 0.00 H new ATOM 0 HG SER A 503 -8.850 13.157 0.640 1.00 0.00 H new ATOM 1142 N ILE A 504 -6.384 12.357 4.112 1.00 0.00 N ATOM 1143 CA ILE A 504 -6.147 13.238 5.250 1.00 0.00 C ATOM 1144 C ILE A 504 -5.351 12.526 6.339 1.00 0.00 C ATOM 1145 O ILE A 504 -5.101 11.324 6.255 1.00 0.00 O ATOM 1146 CB ILE A 504 -7.470 13.751 5.849 1.00 0.00 C ATOM 1147 CG1 ILE A 504 -8.467 12.601 5.999 1.00 0.00 C ATOM 1148 CG2 ILE A 504 -8.052 14.855 4.978 1.00 0.00 C ATOM 1149 CD1 ILE A 504 -9.805 13.031 6.561 1.00 0.00 C ATOM 0 H ILE A 504 -6.964 11.545 4.321 1.00 0.00 H new ATOM 0 HA ILE A 504 -5.572 14.087 4.879 1.00 0.00 H new ATOM 0 HB ILE A 504 -7.269 14.163 6.838 1.00 0.00 H new ATOM 0 HG12 ILE A 504 -8.623 12.137 5.025 1.00 0.00 H new ATOM 0 HG13 ILE A 504 -8.036 11.840 6.650 1.00 0.00 H new ATOM 0 HG21 ILE A 504 -8.987 15.208 5.414 1.00 0.00 H new ATOM 0 HG22 ILE A 504 -7.345 15.682 4.918 1.00 0.00 H new ATOM 0 HG23 ILE A 504 -8.242 14.467 3.977 1.00 0.00 H new ATOM 0 HD11 ILE A 504 -10.462 12.165 6.640 1.00 0.00 H new ATOM 0 HD12 ILE A 504 -9.661 13.468 7.549 1.00 0.00 H new ATOM 0 HD13 ILE A 504 -10.257 13.770 5.899 1.00 0.00 H new ATOM 1161 N ALA A 505 -4.957 13.277 7.363 1.00 0.00 N ATOM 1162 CA ALA A 505 -4.193 12.718 8.471 1.00 0.00 C ATOM 1163 C ALA A 505 -5.099 11.961 9.436 1.00 0.00 C ATOM 1164 O ALA A 505 -4.771 10.859 9.875 1.00 0.00 O ATOM 1165 CB ALA A 505 -3.442 13.820 9.203 1.00 0.00 C ATOM 0 H ALA A 505 -5.155 14.274 7.448 1.00 0.00 H new ATOM 0 HA ALA A 505 -3.471 12.011 8.062 1.00 0.00 H new ATOM 0 HB1 ALA A 505 -2.876 13.388 10.028 1.00 0.00 H new ATOM 0 HB2 ALA A 505 -2.758 14.315 8.513 1.00 0.00 H new ATOM 0 HB3 ALA A 505 -4.153 14.548 9.593 1.00 0.00 H new ATOM 1171 N SER A 506 -6.240 12.560 9.762 1.00 0.00 N ATOM 1172 CA SER A 506 -7.192 11.944 10.679 1.00 0.00 C ATOM 1173 C SER A 506 -7.407 10.474 10.332 1.00 0.00 C ATOM 1174 O SER A 506 -7.119 9.588 11.136 1.00 0.00 O ATOM 1175 CB SER A 506 -8.527 12.690 10.639 1.00 0.00 C ATOM 1176 OG SER A 506 -9.347 12.328 11.737 1.00 0.00 O ATOM 0 H SER A 506 -6.528 13.471 9.405 1.00 0.00 H new ATOM 0 HA SER A 506 -6.780 12.005 11.686 1.00 0.00 H new ATOM 0 HB2 SER A 506 -8.347 13.765 10.654 1.00 0.00 H new ATOM 0 HB3 SER A 506 -9.044 12.467 9.706 1.00 0.00 H new ATOM 0 HG SER A 506 -10.193 12.820 11.689 1.00 0.00 H new ATOM 1182 N GLU A 507 -7.915 10.224 9.129 1.00 0.00 N ATOM 1183 CA GLU A 507 -8.170 8.862 8.676 1.00 0.00 C ATOM 1184 C GLU A 507 -6.997 7.947 9.019 1.00 0.00 C ATOM 1185 O GLU A 507 -7.174 6.899 9.642 1.00 0.00 O ATOM 1186 CB GLU A 507 -8.422 8.842 7.167 1.00 0.00 C ATOM 1187 CG GLU A 507 -9.578 9.727 6.732 1.00 0.00 C ATOM 1188 CD GLU A 507 -10.916 9.016 6.802 1.00 0.00 C ATOM 1189 OE1 GLU A 507 -11.073 8.130 7.667 1.00 0.00 O ATOM 1190 OE2 GLU A 507 -11.806 9.348 5.992 1.00 0.00 O ATOM 0 H GLU A 507 -8.158 10.947 8.451 1.00 0.00 H new ATOM 0 HA GLU A 507 -9.058 8.495 9.190 1.00 0.00 H new ATOM 0 HB2 GLU A 507 -7.516 9.162 6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 507 -8.622 7.817 6.854 1.00 0.00 H new ATOM 0 HG2 GLU A 507 -9.609 10.615 7.364 1.00 0.00 H new ATOM 0 HG3 GLU A 507 -9.405 10.068 5.711 1.00 0.00 H new ATOM 1197 N THR A 508 -5.799 8.349 8.606 1.00 0.00 N ATOM 1198 CA THR A 508 -4.598 7.566 8.867 1.00 0.00 C ATOM 1199 C THR A 508 -4.461 7.248 10.351 1.00 0.00 C ATOM 1200 O THR A 508 -4.411 6.082 10.745 1.00 0.00 O ATOM 1201 CB THR A 508 -3.332 8.304 8.392 1.00 0.00 C ATOM 1202 OG1 THR A 508 -3.571 8.918 7.121 1.00 0.00 O ATOM 1203 CG2 THR A 508 -2.156 7.346 8.285 1.00 0.00 C ATOM 0 H THR A 508 -5.635 9.213 8.089 1.00 0.00 H new ATOM 0 HA THR A 508 -4.699 6.636 8.307 1.00 0.00 H new ATOM 0 HB THR A 508 -3.089 9.072 9.126 1.00 0.00 H new ATOM 0 HG1 THR A 508 -2.813 8.743 6.525 1.00 0.00 H new ATOM 0 HG21 THR A 508 -1.273 7.890 7.948 1.00 0.00 H new ATOM 0 HG22 THR A 508 -1.958 6.902 9.261 1.00 0.00 H new ATOM 0 HG23 THR A 508 -2.392 6.558 7.569 1.00 0.00 H new ATOM 1211 N HIS A 509 -4.400 8.292 11.172 1.00 0.00 N ATOM 1212 CA HIS A 509 -4.269 8.123 12.615 1.00 0.00 C ATOM 1213 C HIS A 509 -5.181 7.008 13.116 1.00 0.00 C ATOM 1214 O HIS A 509 -4.796 6.215 13.976 1.00 0.00 O ATOM 1215 CB HIS A 509 -4.600 9.431 13.335 1.00 0.00 C ATOM 1216 CG HIS A 509 -3.450 10.389 13.397 1.00 0.00 C ATOM 1217 ND1 HIS A 509 -2.948 10.886 14.581 1.00 0.00 N ATOM 1218 CD2 HIS A 509 -2.703 10.939 12.412 1.00 0.00 C ATOM 1219 CE1 HIS A 509 -1.942 11.702 14.322 1.00 0.00 C ATOM 1220 NE2 HIS A 509 -1.772 11.751 13.013 1.00 0.00 N ATOM 0 H HIS A 509 -4.439 9.263 10.863 1.00 0.00 H new ATOM 0 HA HIS A 509 -3.237 7.849 12.832 1.00 0.00 H new ATOM 0 HB2 HIS A 509 -5.437 9.913 12.829 1.00 0.00 H new ATOM 0 HB3 HIS A 509 -4.929 9.205 14.349 1.00 0.00 H new ATOM 0 HD2 HIS A 509 -2.817 10.771 11.351 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -1.358 12.238 15.056 1.00 0.00 H new ATOM 0 HE2 HIS A 509 -1.064 12.302 12.527 1.00 0.00 H new ATOM 1228 N LYS A 510 -6.393 6.952 12.574 1.00 0.00 N ATOM 1229 CA LYS A 510 -7.361 5.934 12.965 1.00 0.00 C ATOM 1230 C LYS A 510 -6.878 4.543 12.567 1.00 0.00 C ATOM 1231 O LYS A 510 -6.799 3.641 13.400 1.00 0.00 O ATOM 1232 CB LYS A 510 -8.719 6.218 12.320 1.00 0.00 C ATOM 1233 CG LYS A 510 -9.718 5.085 12.481 1.00 0.00 C ATOM 1234 CD LYS A 510 -11.076 5.453 11.909 1.00 0.00 C ATOM 1235 CE LYS A 510 -12.204 4.760 12.658 1.00 0.00 C ATOM 1236 NZ LYS A 510 -12.349 5.280 14.046 1.00 0.00 N ATOM 0 H LYS A 510 -6.728 7.601 11.862 1.00 0.00 H new ATOM 0 HA LYS A 510 -7.467 5.966 14.049 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -9.137 7.125 12.757 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -8.573 6.414 11.258 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -9.341 4.193 11.981 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -9.822 4.838 13.538 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -11.213 6.533 11.961 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -11.115 5.177 10.855 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -13.140 4.902 12.117 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -12.014 3.687 12.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -13.320 5.113 14.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -11.678 4.790 14.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -12.150 6.301 14.057 1.00 0.00 H new ATOM 1250 N ALA A 511 -6.554 4.377 11.289 1.00 0.00 N ATOM 1251 CA ALA A 511 -6.076 3.097 10.782 1.00 0.00 C ATOM 1252 C ALA A 511 -4.953 2.546 11.654 1.00 0.00 C ATOM 1253 O ALA A 511 -4.898 1.346 11.926 1.00 0.00 O ATOM 1254 CB ALA A 511 -5.605 3.242 9.342 1.00 0.00 C ATOM 0 H ALA A 511 -6.614 5.113 10.586 1.00 0.00 H new ATOM 0 HA ALA A 511 -6.905 2.390 10.812 1.00 0.00 H new ATOM 0 HB1 ALA A 511 -5.251 2.278 8.976 1.00 0.00 H new ATOM 0 HB2 ALA A 511 -6.433 3.584 8.721 1.00 0.00 H new ATOM 0 HB3 ALA A 511 -4.793 3.968 9.296 1.00 0.00 H new ATOM 1260 N ILE A 512 -4.061 3.429 12.090 1.00 0.00 N ATOM 1261 CA ILE A 512 -2.940 3.030 12.932 1.00 0.00 C ATOM 1262 C ILE A 512 -3.419 2.586 14.310 1.00 0.00 C ATOM 1263 O ILE A 512 -3.082 1.497 14.773 1.00 0.00 O ATOM 1264 CB ILE A 512 -1.925 4.176 13.099 1.00 0.00 C ATOM 1265 CG1 ILE A 512 -1.428 4.649 11.731 1.00 0.00 C ATOM 1266 CG2 ILE A 512 -0.758 3.728 13.967 1.00 0.00 C ATOM 1267 CD1 ILE A 512 -0.575 5.896 11.796 1.00 0.00 C ATOM 0 H ILE A 512 -4.093 4.425 11.874 1.00 0.00 H new ATOM 0 HA ILE A 512 -2.452 2.193 12.432 1.00 0.00 H new ATOM 0 HB ILE A 512 -2.420 5.011 13.594 1.00 0.00 H new ATOM 0 HG12 ILE A 512 -0.852 3.849 11.266 1.00 0.00 H new ATOM 0 HG13 ILE A 512 -2.287 4.839 11.087 1.00 0.00 H new ATOM 0 HG21 ILE A 512 -0.049 4.549 14.076 1.00 0.00 H new ATOM 0 HG22 ILE A 512 -1.127 3.435 14.950 1.00 0.00 H new ATOM 0 HG23 ILE A 512 -0.261 2.879 13.498 1.00 0.00 H new ATOM 0 HD11 ILE A 512 -0.258 6.173 10.790 1.00 0.00 H new ATOM 0 HD12 ILE A 512 -1.154 6.710 12.232 1.00 0.00 H new ATOM 0 HD13 ILE A 512 0.303 5.705 12.413 1.00 0.00 H new ATOM 1279 N GLN A 513 -4.208 3.436 14.959 1.00 0.00 N ATOM 1280 CA GLN A 513 -4.734 3.131 16.284 1.00 0.00 C ATOM 1281 C GLN A 513 -5.309 1.719 16.329 1.00 0.00 C ATOM 1282 O GLN A 513 -5.187 1.020 17.334 1.00 0.00 O ATOM 1283 CB GLN A 513 -5.810 4.145 16.675 1.00 0.00 C ATOM 1284 CG GLN A 513 -5.281 5.561 16.839 1.00 0.00 C ATOM 1285 CD GLN A 513 -4.780 5.838 18.242 1.00 0.00 C ATOM 1286 OE1 GLN A 513 -4.398 4.921 18.970 1.00 0.00 O ATOM 1287 NE2 GLN A 513 -4.779 7.108 18.631 1.00 0.00 N ATOM 0 H GLN A 513 -4.497 4.341 14.589 1.00 0.00 H new ATOM 0 HA GLN A 513 -3.912 3.192 16.997 1.00 0.00 H new ATOM 0 HB2 GLN A 513 -6.592 4.144 15.915 1.00 0.00 H new ATOM 0 HB3 GLN A 513 -6.273 3.829 17.610 1.00 0.00 H new ATOM 0 HG2 GLN A 513 -4.471 5.727 16.129 1.00 0.00 H new ATOM 0 HG3 GLN A 513 -6.071 6.271 16.593 1.00 0.00 H new ATOM 0 HE21 GLN A 513 -5.104 7.836 17.995 1.00 0.00 H new ATOM 0 HE22 GLN A 513 -4.453 7.355 19.565 1.00 0.00 H new ATOM 1296 N ALA A 514 -5.937 1.306 15.232 1.00 0.00 N ATOM 1297 CA ALA A 514 -6.529 -0.023 15.146 1.00 0.00 C ATOM 1298 C ALA A 514 -5.487 -1.065 14.756 1.00 0.00 C ATOM 1299 O ALA A 514 -5.296 -2.060 15.456 1.00 0.00 O ATOM 1300 CB ALA A 514 -7.679 -0.025 14.150 1.00 0.00 C ATOM 0 H ALA A 514 -6.048 1.873 14.391 1.00 0.00 H new ATOM 0 HA ALA A 514 -6.915 -0.286 16.131 1.00 0.00 H new ATOM 0 HB1 ALA A 514 -8.112 -1.024 14.096 1.00 0.00 H new ATOM 0 HB2 ALA A 514 -8.441 0.684 14.473 1.00 0.00 H new ATOM 0 HB3 ALA A 514 -7.309 0.264 13.166 1.00 0.00 H new ATOM 1306 N LEU A 515 -4.815 -0.831 13.634 1.00 0.00 N ATOM 1307 CA LEU A 515 -3.791 -1.750 13.149 1.00 0.00 C ATOM 1308 C LEU A 515 -2.565 -1.727 14.056 1.00 0.00 C ATOM 1309 O LEU A 515 -1.599 -2.454 13.829 1.00 0.00 O ATOM 1310 CB LEU A 515 -3.388 -1.388 11.719 1.00 0.00 C ATOM 1311 CG LEU A 515 -4.442 -1.642 10.640 1.00 0.00 C ATOM 1312 CD1 LEU A 515 -4.067 -0.930 9.350 1.00 0.00 C ATOM 1313 CD2 LEU A 515 -4.609 -3.135 10.398 1.00 0.00 C ATOM 0 H LEU A 515 -4.961 -0.013 13.043 1.00 0.00 H new ATOM 0 HA LEU A 515 -4.208 -2.757 13.158 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -3.119 -0.332 11.695 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -2.491 -1.951 11.462 1.00 0.00 H new ATOM 0 HG LEU A 515 -5.394 -1.242 10.988 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -4.828 -1.122 8.594 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -3.999 0.142 9.533 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -3.104 -1.299 8.997 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -5.363 -3.297 9.627 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -3.659 -3.559 10.071 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -4.925 -3.620 11.322 1.00 0.00 H new ATOM 1325 N ASN A 516 -2.613 -0.887 15.086 1.00 0.00 N ATOM 1326 CA ASN A 516 -1.506 -0.770 16.028 1.00 0.00 C ATOM 1327 C ASN A 516 -1.371 -2.037 16.868 1.00 0.00 C ATOM 1328 O ASN A 516 -0.388 -2.216 17.587 1.00 0.00 O ATOM 1329 CB ASN A 516 -1.712 0.440 16.941 1.00 0.00 C ATOM 1330 CG ASN A 516 -0.997 0.291 18.270 1.00 0.00 C ATOM 1331 OD1 ASN A 516 -1.631 0.173 19.319 1.00 0.00 O ATOM 1332 ND2 ASN A 516 0.331 0.296 18.231 1.00 0.00 N ATOM 0 H ASN A 516 -3.406 -0.278 15.289 1.00 0.00 H new ATOM 0 HA ASN A 516 -0.588 -0.634 15.457 1.00 0.00 H new ATOM 0 HB2 ASN A 516 -1.353 1.337 16.437 1.00 0.00 H new ATOM 0 HB3 ASN A 516 -2.778 0.580 17.119 1.00 0.00 H new ATOM 0 HD21 ASN A 516 0.867 0.199 19.093 1.00 0.00 H new ATOM 0 HD22 ASN A 516 0.815 0.396 17.339 1.00 0.00 H new ATOM 1339 N GLY A 517 -2.365 -2.914 16.771 1.00 0.00 N ATOM 1340 CA GLY A 517 -2.338 -4.153 17.526 1.00 0.00 C ATOM 1341 C GLY A 517 -3.269 -5.203 16.952 1.00 0.00 C ATOM 1342 O GLY A 517 -3.613 -6.173 17.627 1.00 0.00 O ATOM 0 H GLY A 517 -3.189 -2.789 16.183 1.00 0.00 H new ATOM 0 HA2 GLY A 517 -1.320 -4.543 17.541 1.00 0.00 H new ATOM 0 HA3 GLY A 517 -2.617 -3.951 18.560 1.00 0.00 H new ATOM 1346 N ARG A 518 -3.678 -5.008 15.702 1.00 0.00 N ATOM 1347 CA ARG A 518 -4.577 -5.945 15.039 1.00 0.00 C ATOM 1348 C ARG A 518 -3.986 -7.351 15.028 1.00 0.00 C ATOM 1349 O ARG A 518 -2.775 -7.527 15.160 1.00 0.00 O ATOM 1350 CB ARG A 518 -4.858 -5.487 13.606 1.00 0.00 C ATOM 1351 CG ARG A 518 -6.052 -4.554 13.488 1.00 0.00 C ATOM 1352 CD ARG A 518 -7.362 -5.326 13.479 1.00 0.00 C ATOM 1353 NE ARG A 518 -7.588 -6.008 12.207 1.00 0.00 N ATOM 1354 CZ ARG A 518 -8.591 -6.851 11.993 1.00 0.00 C ATOM 1355 NH1 ARG A 518 -9.458 -7.115 12.961 1.00 0.00 N ATOM 1356 NH2 ARG A 518 -8.730 -7.433 10.808 1.00 0.00 N ATOM 0 H ARG A 518 -3.401 -4.211 15.129 1.00 0.00 H new ATOM 0 HA ARG A 518 -5.513 -5.968 15.597 1.00 0.00 H new ATOM 0 HB2 ARG A 518 -3.974 -4.983 13.215 1.00 0.00 H new ATOM 0 HB3 ARG A 518 -5.029 -6.363 12.980 1.00 0.00 H new ATOM 0 HG2 ARG A 518 -6.049 -3.850 14.320 1.00 0.00 H new ATOM 0 HG3 ARG A 518 -5.968 -3.967 12.573 1.00 0.00 H new ATOM 0 HD2 ARG A 518 -7.357 -6.058 14.287 1.00 0.00 H new ATOM 0 HD3 ARG A 518 -8.187 -4.641 13.675 1.00 0.00 H new ATOM 0 HE ARG A 518 -6.939 -5.826 11.441 1.00 0.00 H new ATOM 0 HH11 ARG A 518 -9.355 -6.670 13.873 1.00 0.00 H new ATOM 0 HH12 ARG A 518 -10.228 -7.763 12.794 1.00 0.00 H new ATOM 0 HH21 ARG A 518 -8.066 -7.233 10.060 1.00 0.00 H new ATOM 0 HH22 ARG A 518 -9.501 -8.080 10.645 1.00 0.00 H new ATOM 1370 N TRP A 519 -4.848 -8.349 14.870 1.00 0.00 N ATOM 1371 CA TRP A 519 -4.411 -9.740 14.842 1.00 0.00 C ATOM 1372 C TRP A 519 -4.643 -10.356 13.467 1.00 0.00 C ATOM 1373 O TRP A 519 -5.782 -10.597 13.068 1.00 0.00 O ATOM 1374 CB TRP A 519 -5.150 -10.549 15.909 1.00 0.00 C ATOM 1375 CG TRP A 519 -4.385 -10.683 17.190 1.00 0.00 C ATOM 1376 CD1 TRP A 519 -4.565 -9.956 18.332 1.00 0.00 C ATOM 1377 CD2 TRP A 519 -3.316 -11.597 17.459 1.00 0.00 C ATOM 1378 NE1 TRP A 519 -3.673 -10.363 19.295 1.00 0.00 N ATOM 1379 CE2 TRP A 519 -2.897 -11.369 18.784 1.00 0.00 C ATOM 1380 CE3 TRP A 519 -2.674 -12.587 16.710 1.00 0.00 C ATOM 1381 CZ2 TRP A 519 -1.864 -12.095 19.373 1.00 0.00 C ATOM 1382 CZ3 TRP A 519 -1.650 -13.306 17.296 1.00 0.00 C ATOM 1383 CH2 TRP A 519 -1.253 -13.058 18.617 1.00 0.00 C ATOM 0 H TRP A 519 -5.854 -8.221 14.759 1.00 0.00 H new ATOM 0 HA TRP A 519 -3.342 -9.764 15.054 1.00 0.00 H new ATOM 0 HB2 TRP A 519 -6.109 -10.074 16.115 1.00 0.00 H new ATOM 0 HB3 TRP A 519 -5.365 -11.543 15.517 1.00 0.00 H new ATOM 0 HD1 TRP A 519 -5.301 -9.176 18.460 1.00 0.00 H new ATOM 0 HE1 TRP A 519 -3.601 -9.978 20.237 1.00 0.00 H new ATOM 0 HE3 TRP A 519 -2.973 -12.786 15.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 519 -1.556 -11.904 20.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 519 -1.147 -14.073 16.726 1.00 0.00 H new ATOM 0 HH2 TRP A 519 -0.450 -13.638 19.046 1.00 0.00 H new ATOM 1394 N PHE A 520 -3.555 -10.609 12.746 1.00 0.00 N ATOM 1395 CA PHE A 520 -3.641 -11.198 11.414 1.00 0.00 C ATOM 1396 C PHE A 520 -3.864 -12.705 11.499 1.00 0.00 C ATOM 1397 O PHE A 520 -3.561 -13.332 12.513 1.00 0.00 O ATOM 1398 CB PHE A 520 -2.367 -10.902 10.620 1.00 0.00 C ATOM 1399 CG PHE A 520 -2.491 -11.204 9.154 1.00 0.00 C ATOM 1400 CD1 PHE A 520 -2.267 -12.485 8.676 1.00 0.00 C ATOM 1401 CD2 PHE A 520 -2.830 -10.206 8.255 1.00 0.00 C ATOM 1402 CE1 PHE A 520 -2.380 -12.766 7.327 1.00 0.00 C ATOM 1403 CE2 PHE A 520 -2.946 -10.481 6.905 1.00 0.00 C ATOM 1404 CZ PHE A 520 -2.719 -11.762 6.441 1.00 0.00 C ATOM 0 H PHE A 520 -2.604 -10.416 13.061 1.00 0.00 H new ATOM 0 HA PHE A 520 -4.493 -10.752 10.900 1.00 0.00 H new ATOM 0 HB2 PHE A 520 -2.106 -9.851 10.746 1.00 0.00 H new ATOM 0 HB3 PHE A 520 -1.546 -11.486 11.035 1.00 0.00 H new ATOM 0 HD1 PHE A 520 -2.001 -13.273 9.365 1.00 0.00 H new ATOM 0 HD2 PHE A 520 -3.006 -9.202 8.613 1.00 0.00 H new ATOM 0 HE1 PHE A 520 -2.204 -13.769 6.967 1.00 0.00 H new ATOM 0 HE2 PHE A 520 -3.214 -9.695 6.214 1.00 0.00 H new ATOM 0 HZ PHE A 520 -2.806 -11.978 5.387 1.00 0.00 H new ATOM 1414 N ALA A 521 -4.396 -13.279 10.425 1.00 0.00 N ATOM 1415 CA ALA A 521 -4.658 -14.712 10.376 1.00 0.00 C ATOM 1416 C ALA A 521 -3.409 -15.511 10.732 1.00 0.00 C ATOM 1417 O ALA A 521 -2.574 -15.791 9.872 1.00 0.00 O ATOM 1418 CB ALA A 521 -5.166 -15.109 8.998 1.00 0.00 C ATOM 0 H ALA A 521 -4.654 -12.774 9.577 1.00 0.00 H new ATOM 0 HA ALA A 521 -5.427 -14.941 11.114 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -5.357 -16.182 8.976 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -6.089 -14.571 8.782 1.00 0.00 H new ATOM 0 HB3 ALA A 521 -4.416 -14.859 8.248 1.00 0.00 H new ATOM 1424 N GLY A 522 -3.287 -15.875 12.005 1.00 0.00 N ATOM 1425 CA GLY A 522 -2.136 -16.638 12.451 1.00 0.00 C ATOM 1426 C GLY A 522 -0.886 -15.788 12.567 1.00 0.00 C ATOM 1427 O GLY A 522 0.221 -16.313 12.686 1.00 0.00 O ATOM 0 H GLY A 522 -3.965 -15.655 12.735 1.00 0.00 H new ATOM 0 HA2 GLY A 522 -2.356 -17.089 13.419 1.00 0.00 H new ATOM 0 HA3 GLY A 522 -1.953 -17.455 11.753 1.00 0.00 H new ATOM 1431 N ARG A 523 -1.063 -14.471 12.531 1.00 0.00 N ATOM 1432 CA ARG A 523 0.060 -13.547 12.630 1.00 0.00 C ATOM 1433 C ARG A 523 -0.356 -12.260 13.336 1.00 0.00 C ATOM 1434 O ARG A 523 -1.540 -12.030 13.585 1.00 0.00 O ATOM 1435 CB ARG A 523 0.606 -13.223 11.238 1.00 0.00 C ATOM 1436 CG ARG A 523 1.305 -14.397 10.570 1.00 0.00 C ATOM 1437 CD ARG A 523 2.745 -14.527 11.039 1.00 0.00 C ATOM 1438 NE ARG A 523 3.651 -13.682 10.266 1.00 0.00 N ATOM 1439 CZ ARG A 523 4.971 -13.833 10.259 1.00 0.00 C ATOM 1440 NH1 ARG A 523 5.536 -14.792 10.979 1.00 0.00 N ATOM 1441 NH2 ARG A 523 5.729 -13.024 9.529 1.00 0.00 N ATOM 0 H ARG A 523 -1.973 -14.020 12.434 1.00 0.00 H new ATOM 0 HA ARG A 523 0.842 -14.028 13.217 1.00 0.00 H new ATOM 0 HB2 ARG A 523 -0.215 -12.891 10.603 1.00 0.00 H new ATOM 0 HB3 ARG A 523 1.306 -12.391 11.316 1.00 0.00 H new ATOM 0 HG2 ARG A 523 0.765 -15.317 10.791 1.00 0.00 H new ATOM 0 HG3 ARG A 523 1.284 -14.267 9.488 1.00 0.00 H new ATOM 0 HD2 ARG A 523 2.809 -14.257 12.093 1.00 0.00 H new ATOM 0 HD3 ARG A 523 3.061 -15.567 10.957 1.00 0.00 H new ATOM 0 HE ARG A 523 3.248 -12.935 9.700 1.00 0.00 H new ATOM 0 HH11 ARG A 523 4.957 -15.417 11.540 1.00 0.00 H new ATOM 0 HH12 ARG A 523 6.550 -14.905 10.972 1.00 0.00 H new ATOM 0 HH21 ARG A 523 5.298 -12.286 8.973 1.00 0.00 H new ATOM 0 HH22 ARG A 523 6.742 -13.141 9.524 1.00 0.00 H new ATOM 1455 N LYS A 524 0.625 -11.423 13.657 1.00 0.00 N ATOM 1456 CA LYS A 524 0.362 -10.159 14.334 1.00 0.00 C ATOM 1457 C LYS A 524 0.660 -8.978 13.416 1.00 0.00 C ATOM 1458 O LYS A 524 1.552 -9.046 12.570 1.00 0.00 O ATOM 1459 CB LYS A 524 1.205 -10.054 15.608 1.00 0.00 C ATOM 1460 CG LYS A 524 0.939 -8.792 16.410 1.00 0.00 C ATOM 1461 CD LYS A 524 1.161 -9.019 17.896 1.00 0.00 C ATOM 1462 CE LYS A 524 0.454 -7.964 18.733 1.00 0.00 C ATOM 1463 NZ LYS A 524 1.118 -7.764 20.050 1.00 0.00 N ATOM 0 H LYS A 524 1.610 -11.598 13.459 1.00 0.00 H new ATOM 0 HA LYS A 524 -0.694 -10.131 14.601 1.00 0.00 H new ATOM 0 HB2 LYS A 524 1.008 -10.922 16.237 1.00 0.00 H new ATOM 0 HB3 LYS A 524 2.261 -10.088 15.339 1.00 0.00 H new ATOM 0 HG2 LYS A 524 1.594 -7.993 16.061 1.00 0.00 H new ATOM 0 HG3 LYS A 524 -0.086 -8.461 16.241 1.00 0.00 H new ATOM 0 HD2 LYS A 524 0.797 -10.008 18.172 1.00 0.00 H new ATOM 0 HD3 LYS A 524 2.229 -9.001 18.112 1.00 0.00 H new ATOM 0 HE2 LYS A 524 0.436 -7.020 18.188 1.00 0.00 H new ATOM 0 HE3 LYS A 524 -0.583 -8.260 18.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 524 0.606 -7.037 20.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 524 1.112 -8.658 20.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 524 2.100 -7.456 19.900 1.00 0.00 H new ATOM 1477 N VAL A 525 -0.091 -7.895 13.589 1.00 0.00 N ATOM 1478 CA VAL A 525 0.095 -6.698 12.778 1.00 0.00 C ATOM 1479 C VAL A 525 0.607 -5.536 13.621 1.00 0.00 C ATOM 1480 O VAL A 525 0.335 -5.457 14.819 1.00 0.00 O ATOM 1481 CB VAL A 525 -1.217 -6.278 12.088 1.00 0.00 C ATOM 1482 CG1 VAL A 525 -0.956 -5.182 11.066 1.00 0.00 C ATOM 1483 CG2 VAL A 525 -1.884 -7.480 11.436 1.00 0.00 C ATOM 0 H VAL A 525 -0.834 -7.822 14.284 1.00 0.00 H new ATOM 0 HA VAL A 525 0.835 -6.944 12.017 1.00 0.00 H new ATOM 0 HB VAL A 525 -1.895 -5.882 12.844 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -1.894 -4.898 10.589 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -0.526 -4.314 11.565 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -0.261 -5.547 10.310 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -2.809 -7.165 10.953 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -1.214 -7.908 10.691 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -2.108 -8.229 12.196 1.00 0.00 H new ATOM 1493 N VAL A 526 1.351 -4.635 12.988 1.00 0.00 N ATOM 1494 CA VAL A 526 1.901 -3.475 13.680 1.00 0.00 C ATOM 1495 C VAL A 526 1.849 -2.233 12.797 1.00 0.00 C ATOM 1496 O VAL A 526 2.461 -2.191 11.731 1.00 0.00 O ATOM 1497 CB VAL A 526 3.357 -3.720 14.117 1.00 0.00 C ATOM 1498 CG1 VAL A 526 4.046 -2.404 14.444 1.00 0.00 C ATOM 1499 CG2 VAL A 526 3.404 -4.666 15.307 1.00 0.00 C ATOM 0 H VAL A 526 1.587 -4.686 11.997 1.00 0.00 H new ATOM 0 HA VAL A 526 1.286 -3.314 14.566 1.00 0.00 H new ATOM 0 HB VAL A 526 3.892 -4.186 13.290 1.00 0.00 H new ATOM 0 HG11 VAL A 526 5.074 -2.598 14.751 1.00 0.00 H new ATOM 0 HG12 VAL A 526 4.045 -1.764 13.562 1.00 0.00 H new ATOM 0 HG13 VAL A 526 3.513 -1.906 15.254 1.00 0.00 H new ATOM 0 HG21 VAL A 526 4.441 -4.828 15.602 1.00 0.00 H new ATOM 0 HG22 VAL A 526 2.853 -4.230 16.140 1.00 0.00 H new ATOM 0 HG23 VAL A 526 2.952 -5.619 15.032 1.00 0.00 H new ATOM 1509 N ALA A 527 1.114 -1.222 13.250 1.00 0.00 N ATOM 1510 CA ALA A 527 0.984 0.022 12.502 1.00 0.00 C ATOM 1511 C ALA A 527 1.758 1.151 13.177 1.00 0.00 C ATOM 1512 O ALA A 527 1.605 1.390 14.374 1.00 0.00 O ATOM 1513 CB ALA A 527 -0.482 0.399 12.356 1.00 0.00 C ATOM 0 H ALA A 527 0.600 -1.241 14.131 1.00 0.00 H new ATOM 0 HA ALA A 527 1.408 -0.133 11.510 1.00 0.00 H new ATOM 0 HB1 ALA A 527 -0.564 1.330 11.795 1.00 0.00 H new ATOM 0 HB2 ALA A 527 -1.010 -0.393 11.824 1.00 0.00 H new ATOM 0 HB3 ALA A 527 -0.924 0.530 13.344 1.00 0.00 H new ATOM 1519 N GLU A 528 2.587 1.840 12.400 1.00 0.00 N ATOM 1520 CA GLU A 528 3.385 2.942 12.924 1.00 0.00 C ATOM 1521 C GLU A 528 3.351 4.137 11.976 1.00 0.00 C ATOM 1522 O GLU A 528 2.859 4.039 10.852 1.00 0.00 O ATOM 1523 CB GLU A 528 4.831 2.494 13.146 1.00 0.00 C ATOM 1524 CG GLU A 528 4.976 1.398 14.188 1.00 0.00 C ATOM 1525 CD GLU A 528 4.659 1.881 15.590 1.00 0.00 C ATOM 1526 OE1 GLU A 528 3.461 1.969 15.931 1.00 0.00 O ATOM 1527 OE2 GLU A 528 5.610 2.169 16.346 1.00 0.00 O ATOM 0 H GLU A 528 2.724 1.655 11.406 1.00 0.00 H new ATOM 0 HA GLU A 528 2.956 3.245 13.879 1.00 0.00 H new ATOM 0 HB2 GLU A 528 5.242 2.141 12.200 1.00 0.00 H new ATOM 0 HB3 GLU A 528 5.426 3.355 13.451 1.00 0.00 H new ATOM 0 HG2 GLU A 528 4.313 0.571 13.934 1.00 0.00 H new ATOM 0 HG3 GLU A 528 5.994 1.010 14.163 1.00 0.00 H new ATOM 1534 N VAL A 529 3.878 5.267 12.438 1.00 0.00 N ATOM 1535 CA VAL A 529 3.909 6.482 11.632 1.00 0.00 C ATOM 1536 C VAL A 529 5.273 6.673 10.979 1.00 0.00 C ATOM 1537 O VAL A 529 6.251 7.010 11.646 1.00 0.00 O ATOM 1538 CB VAL A 529 3.579 7.725 12.479 1.00 0.00 C ATOM 1539 CG1 VAL A 529 3.809 8.996 11.675 1.00 0.00 C ATOM 1540 CG2 VAL A 529 2.147 7.659 12.988 1.00 0.00 C ATOM 0 H VAL A 529 4.289 5.366 13.366 1.00 0.00 H new ATOM 0 HA VAL A 529 3.151 6.368 10.857 1.00 0.00 H new ATOM 0 HB VAL A 529 4.246 7.743 13.341 1.00 0.00 H new ATOM 0 HG11 VAL A 529 3.571 9.864 12.290 1.00 0.00 H new ATOM 0 HG12 VAL A 529 4.853 9.047 11.365 1.00 0.00 H new ATOM 0 HG13 VAL A 529 3.169 8.989 10.793 1.00 0.00 H new ATOM 0 HG21 VAL A 529 1.932 8.546 13.584 1.00 0.00 H new ATOM 0 HG22 VAL A 529 1.462 7.616 12.142 1.00 0.00 H new ATOM 0 HG23 VAL A 529 2.020 6.768 13.603 1.00 0.00 H new ATOM 1550 N TYR A 530 5.331 6.455 9.669 1.00 0.00 N ATOM 1551 CA TYR A 530 6.576 6.602 8.925 1.00 0.00 C ATOM 1552 C TYR A 530 7.015 8.062 8.880 1.00 0.00 C ATOM 1553 O TYR A 530 6.261 8.961 9.252 1.00 0.00 O ATOM 1554 CB TYR A 530 6.410 6.063 7.502 1.00 0.00 C ATOM 1555 CG TYR A 530 7.698 6.036 6.711 1.00 0.00 C ATOM 1556 CD1 TYR A 530 8.706 5.131 7.019 1.00 0.00 C ATOM 1557 CD2 TYR A 530 7.906 6.915 5.655 1.00 0.00 C ATOM 1558 CE1 TYR A 530 9.885 5.103 6.299 1.00 0.00 C ATOM 1559 CE2 TYR A 530 9.081 6.893 4.929 1.00 0.00 C ATOM 1560 CZ TYR A 530 10.068 5.986 5.255 1.00 0.00 C ATOM 1561 OH TYR A 530 11.240 5.960 4.534 1.00 0.00 O ATOM 0 H TYR A 530 4.531 6.176 9.101 1.00 0.00 H new ATOM 0 HA TYR A 530 7.347 6.026 9.438 1.00 0.00 H new ATOM 0 HB2 TYR A 530 6.002 5.053 7.550 1.00 0.00 H new ATOM 0 HB3 TYR A 530 5.681 6.677 6.973 1.00 0.00 H new ATOM 0 HD1 TYR A 530 8.566 4.438 7.835 1.00 0.00 H new ATOM 0 HD2 TYR A 530 7.136 7.627 5.398 1.00 0.00 H new ATOM 0 HE1 TYR A 530 10.659 4.394 6.552 1.00 0.00 H new ATOM 0 HE2 TYR A 530 9.226 7.582 4.110 1.00 0.00 H new ATOM 0 HH TYR A 530 11.208 6.645 3.833 1.00 0.00 H new