USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 581 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 Single : A 462 SER OG : rot -148:sc= 0.0556 USER MOD Single : A 463 LYS NZ :NH3+ 157:sc= 0.62 (180deg=-0.121) USER MOD Single : A 468 ASN : amide:sc= 0.472 K(o=0.47,f=-0.42) USER MOD Single : A 472 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.15) USER MOD Single : A 474 ASN : amide:sc= 0.0356 K(o=0.036,f=-10!) USER MOD Single : A 475 GLN : amide:sc= -1.45! C(o=-1.5!,f=-2.2!) USER MOD Single : A 483 SER OG : rot 180:sc= 0 USER MOD Single : A 484 THR OG1 : rot 71:sc= 0.00638 USER MOD Single : A 489 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 490 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 THR OG1 : rot 180:sc= -0.0207 USER MOD Single : A 514 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 515 GLN : amide:sc=-0.00278 K(o=-0.0028,f=-0.75) USER MOD Single : A 518 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 519 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 522 ASN : amide:sc= 0.906 K(o=0.91,f=0) USER MOD Single : A 525 CYS SG : rot -5:sc= 0.125 USER MOD Single : A 526 HIS : no HD1:sc= -0.0441 X(o=-0.044,f=0) USER MOD Single : A 527 SER OG : rot 36:sc= 1 USER MOD Single : A 528 THR OG1 : rot 74:sc= 1.21 USER MOD Single : A 529 HIS : no HD1:sc= -0.863 K(o=-0.86,f=-2.1!) USER MOD Single : A 531 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N SER A 462 5.743 0.328 -7.441 1.00 0.00 N ATOM 203 CA SER A 462 5.731 -0.577 -6.297 1.00 0.00 C ATOM 204 C SER A 462 5.017 0.059 -5.108 1.00 0.00 C ATOM 205 O SER A 462 5.647 0.671 -4.245 1.00 0.00 O ATOM 206 CB SER A 462 7.160 -0.956 -5.905 1.00 0.00 C ATOM 207 OG SER A 462 7.593 -2.109 -6.607 1.00 0.00 O ATOM 0 HA SER A 462 5.189 -1.478 -6.584 1.00 0.00 H new ATOM 0 HB2 SER A 462 7.831 -0.124 -6.117 1.00 0.00 H new ATOM 0 HB3 SER A 462 7.209 -1.140 -4.832 1.00 0.00 H new ATOM 0 HG SER A 462 8.210 -2.622 -6.045 1.00 0.00 H new ATOM 213 N LYS A 463 3.697 -0.089 -5.071 1.00 0.00 N ATOM 214 CA LYS A 463 2.895 0.469 -3.989 1.00 0.00 C ATOM 215 C LYS A 463 1.920 -0.569 -3.443 1.00 0.00 C ATOM 216 O LYS A 463 1.025 -1.028 -4.154 1.00 0.00 O ATOM 217 CB LYS A 463 2.126 1.699 -4.478 1.00 0.00 C ATOM 218 CG LYS A 463 1.091 2.203 -3.487 1.00 0.00 C ATOM 219 CD LYS A 463 1.686 3.220 -2.528 1.00 0.00 C ATOM 220 CE LYS A 463 1.876 4.573 -3.198 1.00 0.00 C ATOM 221 NZ LYS A 463 1.850 5.689 -2.213 1.00 0.00 N ATOM 0 H LYS A 463 3.160 -0.591 -5.778 1.00 0.00 H new ATOM 0 HA LYS A 463 3.570 0.765 -3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 463 2.835 2.500 -4.689 1.00 0.00 H new ATOM 0 HB3 LYS A 463 1.629 1.457 -5.418 1.00 0.00 H new ATOM 0 HG2 LYS A 463 0.259 2.654 -4.027 1.00 0.00 H new ATOM 0 HG3 LYS A 463 0.687 1.363 -2.923 1.00 0.00 H new ATOM 0 HD2 LYS A 463 1.034 3.330 -1.662 1.00 0.00 H new ATOM 0 HD3 LYS A 463 2.646 2.857 -2.160 1.00 0.00 H new ATOM 0 HE2 LYS A 463 2.826 4.583 -3.733 1.00 0.00 H new ATOM 0 HE3 LYS A 463 1.091 4.725 -3.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 2.351 6.511 -2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 0.864 5.949 -2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 2.317 5.387 -1.334 1.00 0.00 H new ATOM 235 N ILE A 464 2.098 -0.934 -2.178 1.00 0.00 N ATOM 236 CA ILE A 464 1.232 -1.916 -1.538 1.00 0.00 C ATOM 237 C ILE A 464 0.028 -1.245 -0.885 1.00 0.00 C ATOM 238 O ILE A 464 0.156 -0.584 0.147 1.00 0.00 O ATOM 239 CB ILE A 464 1.992 -2.728 -0.473 1.00 0.00 C ATOM 240 CG1 ILE A 464 3.103 -3.553 -1.126 1.00 0.00 C ATOM 241 CG2 ILE A 464 1.034 -3.631 0.290 1.00 0.00 C ATOM 242 CD1 ILE A 464 3.989 -4.270 -0.131 1.00 0.00 C ATOM 0 H ILE A 464 2.834 -0.564 -1.576 1.00 0.00 H new ATOM 0 HA ILE A 464 0.888 -2.591 -2.322 1.00 0.00 H new ATOM 0 HB ILE A 464 2.447 -2.034 0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 464 2.654 -4.287 -1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 464 3.718 -2.896 -1.741 1.00 0.00 H new ATOM 0 HG21 ILE A 464 1.587 -4.198 1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 464 0.275 -3.023 0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 464 0.553 -4.320 -0.404 1.00 0.00 H new ATOM 0 HD11 ILE A 464 4.753 -4.834 -0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 464 4.467 -3.540 0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 464 3.386 -4.953 0.467 1.00 0.00 H new ATOM 254 N LEU A 465 -1.141 -1.420 -1.491 1.00 0.00 N ATOM 255 CA LEU A 465 -2.370 -0.833 -0.968 1.00 0.00 C ATOM 256 C LEU A 465 -3.213 -1.883 -0.252 1.00 0.00 C ATOM 257 O LEU A 465 -3.864 -2.711 -0.889 1.00 0.00 O ATOM 258 CB LEU A 465 -3.178 -0.198 -2.101 1.00 0.00 C ATOM 259 CG LEU A 465 -4.664 0.029 -1.821 1.00 0.00 C ATOM 260 CD1 LEU A 465 -4.846 1.010 -0.674 1.00 0.00 C ATOM 261 CD2 LEU A 465 -5.372 0.529 -3.071 1.00 0.00 C ATOM 0 H LEU A 465 -1.264 -1.964 -2.345 1.00 0.00 H new ATOM 0 HA LEU A 465 -2.097 -0.061 -0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 465 -2.725 0.762 -2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 465 -3.088 -0.831 -2.984 1.00 0.00 H new ATOM 0 HG LEU A 465 -5.110 -0.923 -1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 465 -5.910 1.160 -0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 465 -4.374 0.612 0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 465 -4.385 1.963 -0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 465 -6.429 0.685 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 465 -4.925 1.470 -3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 465 -5.271 -0.209 -3.866 1.00 0.00 H new ATOM 273 N VAL A 466 -3.199 -1.841 1.076 1.00 0.00 N ATOM 274 CA VAL A 466 -3.966 -2.786 1.879 1.00 0.00 C ATOM 275 C VAL A 466 -5.406 -2.319 2.052 1.00 0.00 C ATOM 276 O VAL A 466 -5.681 -1.119 2.081 1.00 0.00 O ATOM 277 CB VAL A 466 -3.332 -2.985 3.269 1.00 0.00 C ATOM 278 CG1 VAL A 466 -2.998 -1.643 3.901 1.00 0.00 C ATOM 279 CG2 VAL A 466 -4.259 -3.791 4.166 1.00 0.00 C ATOM 0 H VAL A 466 -2.665 -1.163 1.619 1.00 0.00 H new ATOM 0 HA VAL A 466 -3.957 -3.736 1.344 1.00 0.00 H new ATOM 0 HB VAL A 466 -2.404 -3.543 3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -2.551 -1.804 4.882 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -2.294 -1.107 3.265 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -3.909 -1.055 4.009 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -3.796 -3.922 5.144 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -5.205 -3.262 4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -4.442 -4.767 3.717 1.00 0.00 H new ATOM 289 N ARG A 467 -6.323 -3.274 2.168 1.00 0.00 N ATOM 290 CA ARG A 467 -7.736 -2.960 2.338 1.00 0.00 C ATOM 291 C ARG A 467 -8.379 -3.887 3.366 1.00 0.00 C ATOM 292 O ARG A 467 -7.755 -4.837 3.836 1.00 0.00 O ATOM 293 CB ARG A 467 -8.471 -3.077 1.001 1.00 0.00 C ATOM 294 CG ARG A 467 -8.434 -1.802 0.173 1.00 0.00 C ATOM 295 CD ARG A 467 -8.631 -2.093 -1.306 1.00 0.00 C ATOM 296 NE ARG A 467 -9.054 -0.907 -2.046 1.00 0.00 N ATOM 297 CZ ARG A 467 -10.239 -0.327 -1.890 1.00 0.00 C ATOM 298 NH1 ARG A 467 -11.114 -0.822 -1.026 1.00 0.00 N ATOM 299 NH2 ARG A 467 -10.550 0.750 -2.600 1.00 0.00 N ATOM 0 H ARG A 467 -6.112 -4.272 2.147 1.00 0.00 H new ATOM 0 HA ARG A 467 -7.813 -1.935 2.699 1.00 0.00 H new ATOM 0 HB2 ARG A 467 -8.029 -3.889 0.423 1.00 0.00 H new ATOM 0 HB3 ARG A 467 -9.510 -3.348 1.189 1.00 0.00 H new ATOM 0 HG2 ARG A 467 -9.212 -1.120 0.518 1.00 0.00 H new ATOM 0 HG3 ARG A 467 -7.479 -1.298 0.322 1.00 0.00 H new ATOM 0 HD2 ARG A 467 -7.700 -2.471 -1.728 1.00 0.00 H new ATOM 0 HD3 ARG A 467 -9.377 -2.879 -1.425 1.00 0.00 H new ATOM 0 HE ARG A 467 -8.404 -0.502 -2.720 1.00 0.00 H new ATOM 0 HH11 ARG A 467 -10.878 -1.650 -0.479 1.00 0.00 H new ATOM 0 HH12 ARG A 467 -12.023 -0.375 -0.908 1.00 0.00 H new ATOM 0 HH21 ARG A 467 -9.879 1.133 -3.266 1.00 0.00 H new ATOM 0 HH22 ARG A 467 -11.460 1.195 -2.480 1.00 0.00 H new ATOM 313 N ASN A 468 -9.631 -3.603 3.710 1.00 0.00 N ATOM 314 CA ASN A 468 -10.358 -4.410 4.683 1.00 0.00 C ATOM 315 C ASN A 468 -9.651 -4.401 6.034 1.00 0.00 C ATOM 316 O ASN A 468 -9.638 -5.406 6.746 1.00 0.00 O ATOM 317 CB ASN A 468 -10.502 -5.847 4.179 1.00 0.00 C ATOM 318 CG ASN A 468 -11.685 -6.563 4.801 1.00 0.00 C ATOM 319 OD1 ASN A 468 -12.838 -6.268 4.487 1.00 0.00 O ATOM 320 ND2 ASN A 468 -11.403 -7.509 5.690 1.00 0.00 N ATOM 0 H ASN A 468 -10.163 -2.820 3.329 1.00 0.00 H new ATOM 0 HA ASN A 468 -11.350 -3.976 4.810 1.00 0.00 H new ATOM 0 HB2 ASN A 468 -10.615 -5.839 3.095 1.00 0.00 H new ATOM 0 HB3 ASN A 468 -9.589 -6.400 4.400 1.00 0.00 H new ATOM 0 HD21 ASN A 468 -12.158 -8.024 6.143 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -10.432 -7.720 5.920 1.00 0.00 H new ATOM 327 N ILE A 469 -9.064 -3.261 6.381 1.00 0.00 N ATOM 328 CA ILE A 469 -8.356 -3.121 7.648 1.00 0.00 C ATOM 329 C ILE A 469 -9.326 -2.852 8.793 1.00 0.00 C ATOM 330 O ILE A 469 -10.272 -2.074 8.668 1.00 0.00 O ATOM 331 CB ILE A 469 -7.319 -1.984 7.590 1.00 0.00 C ATOM 332 CG1 ILE A 469 -6.316 -2.235 6.462 1.00 0.00 C ATOM 333 CG2 ILE A 469 -6.601 -1.854 8.925 1.00 0.00 C ATOM 334 CD1 ILE A 469 -5.209 -1.206 6.398 1.00 0.00 C ATOM 0 H ILE A 469 -9.064 -2.421 5.803 1.00 0.00 H new ATOM 0 HA ILE A 469 -7.840 -4.064 7.827 1.00 0.00 H new ATOM 0 HB ILE A 469 -7.839 -1.048 7.386 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -5.875 -3.223 6.592 1.00 0.00 H new ATOM 0 HG13 ILE A 469 -6.847 -2.245 5.510 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -5.871 -1.046 8.868 1.00 0.00 H new ATOM 0 HG22 ILE A 469 -7.326 -1.634 9.708 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -6.090 -2.789 9.156 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -4.536 -1.447 5.575 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -5.640 -0.218 6.237 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -4.653 -1.211 7.335 1.00 0.00 H new ATOM 346 N PRO A 470 -9.087 -3.509 9.938 1.00 0.00 N ATOM 347 CA PRO A 470 -9.927 -3.355 11.129 1.00 0.00 C ATOM 348 C PRO A 470 -9.775 -1.981 11.772 1.00 0.00 C ATOM 349 O PRO A 470 -8.969 -1.163 11.329 1.00 0.00 O ATOM 350 CB PRO A 470 -9.410 -4.446 12.071 1.00 0.00 C ATOM 351 CG PRO A 470 -8.002 -4.680 11.643 1.00 0.00 C ATOM 352 CD PRO A 470 -7.977 -4.452 10.157 1.00 0.00 C ATOM 0 HA PRO A 470 -10.988 -3.443 10.894 1.00 0.00 H new ATOM 0 HB2 PRO A 470 -9.459 -4.126 13.112 1.00 0.00 H new ATOM 0 HB3 PRO A 470 -10.005 -5.355 11.988 1.00 0.00 H new ATOM 0 HG2 PRO A 470 -7.321 -3.999 12.154 1.00 0.00 H new ATOM 0 HG3 PRO A 470 -7.683 -5.693 11.888 1.00 0.00 H new ATOM 0 HD2 PRO A 470 -7.025 -4.034 9.830 1.00 0.00 H new ATOM 0 HD3 PRO A 470 -8.124 -5.381 9.605 1.00 0.00 H new ATOM 360 N PHE A 471 -10.555 -1.733 12.819 1.00 0.00 N ATOM 361 CA PHE A 471 -10.508 -0.457 13.523 1.00 0.00 C ATOM 362 C PHE A 471 -9.225 -0.335 14.341 1.00 0.00 C ATOM 363 O PHE A 471 -8.449 0.603 14.160 1.00 0.00 O ATOM 364 CB PHE A 471 -11.725 -0.309 14.437 1.00 0.00 C ATOM 365 CG PHE A 471 -11.531 0.695 15.537 1.00 0.00 C ATOM 366 CD1 PHE A 471 -11.254 2.020 15.242 1.00 0.00 C ATOM 367 CD2 PHE A 471 -11.625 0.314 16.866 1.00 0.00 C ATOM 368 CE1 PHE A 471 -11.074 2.946 16.252 1.00 0.00 C ATOM 369 CE2 PHE A 471 -11.446 1.236 17.880 1.00 0.00 C ATOM 370 CZ PHE A 471 -11.172 2.554 17.572 1.00 0.00 C ATOM 0 H PHE A 471 -11.227 -2.399 13.199 1.00 0.00 H new ATOM 0 HA PHE A 471 -10.522 0.340 12.780 1.00 0.00 H new ATOM 0 HB2 PHE A 471 -12.586 -0.016 13.837 1.00 0.00 H new ATOM 0 HB3 PHE A 471 -11.958 -1.278 14.878 1.00 0.00 H new ATOM 0 HD1 PHE A 471 -11.178 2.333 14.211 1.00 0.00 H new ATOM 0 HD2 PHE A 471 -11.841 -0.715 17.112 1.00 0.00 H new ATOM 0 HE1 PHE A 471 -10.857 3.976 16.009 1.00 0.00 H new ATOM 0 HE2 PHE A 471 -11.520 0.926 18.912 1.00 0.00 H new ATOM 0 HZ PHE A 471 -11.035 3.277 18.363 1.00 0.00 H new ATOM 380 N GLN A 472 -9.012 -1.288 15.241 1.00 0.00 N ATOM 381 CA GLN A 472 -7.825 -1.287 16.088 1.00 0.00 C ATOM 382 C GLN A 472 -6.565 -1.061 15.259 1.00 0.00 C ATOM 383 O GLN A 472 -5.624 -0.407 15.707 1.00 0.00 O ATOM 384 CB GLN A 472 -7.717 -2.607 16.854 1.00 0.00 C ATOM 385 CG GLN A 472 -6.848 -2.519 18.098 1.00 0.00 C ATOM 386 CD GLN A 472 -7.441 -1.617 19.162 1.00 0.00 C ATOM 387 OE1 GLN A 472 -8.317 -2.029 19.923 1.00 0.00 O ATOM 388 NE2 GLN A 472 -6.966 -0.379 19.221 1.00 0.00 N ATOM 0 H GLN A 472 -9.645 -2.071 15.403 1.00 0.00 H new ATOM 0 HA GLN A 472 -7.920 -0.469 16.802 1.00 0.00 H new ATOM 0 HB2 GLN A 472 -8.716 -2.933 17.141 1.00 0.00 H new ATOM 0 HB3 GLN A 472 -7.311 -3.370 16.190 1.00 0.00 H new ATOM 0 HG2 GLN A 472 -6.709 -3.518 18.511 1.00 0.00 H new ATOM 0 HG3 GLN A 472 -5.861 -2.148 17.822 1.00 0.00 H new ATOM 0 HE21 GLN A 472 -6.240 -0.080 18.570 1.00 0.00 H new ATOM 0 HE22 GLN A 472 -7.327 0.273 19.917 1.00 0.00 H new ATOM 397 N ALA A 473 -6.554 -1.608 14.048 1.00 0.00 N ATOM 398 CA ALA A 473 -5.410 -1.465 13.155 1.00 0.00 C ATOM 399 C ALA A 473 -5.024 0.001 12.988 1.00 0.00 C ATOM 400 O ALA A 473 -5.800 0.801 12.468 1.00 0.00 O ATOM 401 CB ALA A 473 -5.715 -2.090 11.802 1.00 0.00 C ATOM 0 H ALA A 473 -7.324 -2.154 13.662 1.00 0.00 H new ATOM 0 HA ALA A 473 -4.564 -1.988 13.602 1.00 0.00 H new ATOM 0 HB1 ALA A 473 -4.852 -1.976 11.146 1.00 0.00 H new ATOM 0 HB2 ALA A 473 -5.934 -3.150 11.932 1.00 0.00 H new ATOM 0 HB3 ALA A 473 -6.577 -1.593 11.358 1.00 0.00 H new ATOM 407 N ASN A 474 -3.820 0.346 13.434 1.00 0.00 N ATOM 408 CA ASN A 474 -3.332 1.716 13.334 1.00 0.00 C ATOM 409 C ASN A 474 -2.113 1.795 12.420 1.00 0.00 C ATOM 410 O ASN A 474 -1.574 0.771 12.000 1.00 0.00 O ATOM 411 CB ASN A 474 -2.979 2.256 14.721 1.00 0.00 C ATOM 412 CG ASN A 474 -2.037 1.337 15.476 1.00 0.00 C ATOM 413 OD1 ASN A 474 -1.735 0.233 15.024 1.00 0.00 O ATOM 414 ND2 ASN A 474 -1.569 1.791 16.633 1.00 0.00 N ATOM 0 H ASN A 474 -3.165 -0.304 13.868 1.00 0.00 H new ATOM 0 HA ASN A 474 -4.126 2.327 12.904 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -2.519 3.239 14.619 1.00 0.00 H new ATOM 0 HB3 ASN A 474 -3.893 2.390 15.299 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -0.932 1.217 17.186 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -1.847 2.713 16.969 1.00 0.00 H new ATOM 421 N GLN A 475 -1.685 3.016 12.117 1.00 0.00 N ATOM 422 CA GLN A 475 -0.530 3.227 11.252 1.00 0.00 C ATOM 423 C GLN A 475 0.680 2.452 11.762 1.00 0.00 C ATOM 424 O GLN A 475 1.463 1.918 10.977 1.00 0.00 O ATOM 425 CB GLN A 475 -0.197 4.718 11.166 1.00 0.00 C ATOM 426 CG GLN A 475 -1.423 5.610 11.055 1.00 0.00 C ATOM 427 CD GLN A 475 -1.952 6.045 12.408 1.00 0.00 C ATOM 428 OE1 GLN A 475 -3.067 5.692 12.794 1.00 0.00 O ATOM 429 NE2 GLN A 475 -1.153 6.816 13.136 1.00 0.00 N ATOM 0 H GLN A 475 -2.120 3.874 12.457 1.00 0.00 H new ATOM 0 HA GLN A 475 -0.780 2.860 10.257 1.00 0.00 H new ATOM 0 HB2 GLN A 475 0.373 5.006 12.049 1.00 0.00 H new ATOM 0 HB3 GLN A 475 0.446 4.889 10.302 1.00 0.00 H new ATOM 0 HG2 GLN A 475 -1.174 6.492 10.466 1.00 0.00 H new ATOM 0 HG3 GLN A 475 -2.207 5.078 10.516 1.00 0.00 H new ATOM 0 HE21 GLN A 475 -0.237 7.084 12.777 1.00 0.00 H new ATOM 0 HE22 GLN A 475 -1.455 7.140 14.055 1.00 0.00 H new ATOM 438 N ARG A 476 0.828 2.396 13.082 1.00 0.00 N ATOM 439 CA ARG A 476 1.944 1.687 13.696 1.00 0.00 C ATOM 440 C ARG A 476 1.880 0.195 13.383 1.00 0.00 C ATOM 441 O ARG A 476 2.896 -0.428 13.077 1.00 0.00 O ATOM 442 CB ARG A 476 1.940 1.902 15.211 1.00 0.00 C ATOM 443 CG ARG A 476 2.603 3.200 15.644 1.00 0.00 C ATOM 444 CD ARG A 476 2.874 3.214 17.140 1.00 0.00 C ATOM 445 NE ARG A 476 1.659 3.451 17.914 1.00 0.00 N ATOM 446 CZ ARG A 476 1.555 3.199 19.215 1.00 0.00 C ATOM 447 NH1 ARG A 476 2.589 2.705 19.882 1.00 0.00 N ATOM 448 NH2 ARG A 476 0.415 3.441 19.850 1.00 0.00 N ATOM 0 H ARG A 476 0.189 2.833 13.746 1.00 0.00 H new ATOM 0 HA ARG A 476 2.869 2.088 13.281 1.00 0.00 H new ATOM 0 HB2 ARG A 476 0.910 1.893 15.568 1.00 0.00 H new ATOM 0 HB3 ARG A 476 2.450 1.066 15.689 1.00 0.00 H new ATOM 0 HG2 ARG A 476 3.540 3.330 15.102 1.00 0.00 H new ATOM 0 HG3 ARG A 476 1.963 4.042 15.381 1.00 0.00 H new ATOM 0 HD2 ARG A 476 3.313 2.262 17.438 1.00 0.00 H new ATOM 0 HD3 ARG A 476 3.606 3.988 17.369 1.00 0.00 H new ATOM 0 HE ARG A 476 0.845 3.831 17.430 1.00 0.00 H new ATOM 0 HH11 ARG A 476 3.466 2.518 19.397 1.00 0.00 H new ATOM 0 HH12 ARG A 476 2.507 2.512 20.880 1.00 0.00 H new ATOM 0 HH21 ARG A 476 -0.382 3.821 19.340 1.00 0.00 H new ATOM 0 HH22 ARG A 476 0.336 3.247 20.848 1.00 0.00 H new ATOM 462 N GLU A 477 0.679 -0.370 13.462 1.00 0.00 N ATOM 463 CA GLU A 477 0.484 -1.788 13.188 1.00 0.00 C ATOM 464 C GLU A 477 0.891 -2.127 11.757 1.00 0.00 C ATOM 465 O GLU A 477 1.561 -3.132 11.513 1.00 0.00 O ATOM 466 CB GLU A 477 -0.977 -2.179 13.421 1.00 0.00 C ATOM 467 CG GLU A 477 -1.253 -3.658 13.211 1.00 0.00 C ATOM 468 CD GLU A 477 -0.276 -4.545 13.960 1.00 0.00 C ATOM 469 OE1 GLU A 477 0.057 -4.215 15.117 1.00 0.00 O ATOM 470 OE2 GLU A 477 0.155 -5.568 13.388 1.00 0.00 O ATOM 0 H GLU A 477 -0.172 0.133 13.713 1.00 0.00 H new ATOM 0 HA GLU A 477 1.117 -2.354 13.871 1.00 0.00 H new ATOM 0 HB2 GLU A 477 -1.259 -1.906 14.438 1.00 0.00 H new ATOM 0 HB3 GLU A 477 -1.611 -1.601 12.748 1.00 0.00 H new ATOM 0 HG2 GLU A 477 -2.268 -3.885 13.538 1.00 0.00 H new ATOM 0 HG3 GLU A 477 -1.202 -3.886 12.146 1.00 0.00 H new ATOM 477 N ILE A 478 0.482 -1.284 10.816 1.00 0.00 N ATOM 478 CA ILE A 478 0.804 -1.493 9.410 1.00 0.00 C ATOM 479 C ILE A 478 2.283 -1.239 9.142 1.00 0.00 C ATOM 480 O ILE A 478 2.984 -2.099 8.608 1.00 0.00 O ATOM 481 CB ILE A 478 -0.036 -0.580 8.498 1.00 0.00 C ATOM 482 CG1 ILE A 478 -1.519 -0.689 8.856 1.00 0.00 C ATOM 483 CG2 ILE A 478 0.190 -0.939 7.037 1.00 0.00 C ATOM 484 CD1 ILE A 478 -2.162 -1.973 8.382 1.00 0.00 C ATOM 0 H ILE A 478 -0.074 -0.449 11.002 1.00 0.00 H new ATOM 0 HA ILE A 478 0.569 -2.533 9.184 1.00 0.00 H new ATOM 0 HB ILE A 478 0.280 0.452 8.652 1.00 0.00 H new ATOM 0 HG12 ILE A 478 -1.630 -0.615 9.938 1.00 0.00 H new ATOM 0 HG13 ILE A 478 -2.052 0.157 8.422 1.00 0.00 H new ATOM 0 HG21 ILE A 478 -0.410 -0.285 6.405 1.00 0.00 H new ATOM 0 HG22 ILE A 478 1.244 -0.814 6.791 1.00 0.00 H new ATOM 0 HG23 ILE A 478 -0.102 -1.975 6.868 1.00 0.00 H new ATOM 0 HD11 ILE A 478 -3.213 -1.982 8.671 1.00 0.00 H new ATOM 0 HD12 ILE A 478 -2.083 -2.040 7.297 1.00 0.00 H new ATOM 0 HD13 ILE A 478 -1.654 -2.824 8.836 1.00 0.00 H new ATOM 496 N ARG A 479 2.752 -0.054 9.517 1.00 0.00 N ATOM 497 CA ARG A 479 4.149 0.313 9.317 1.00 0.00 C ATOM 498 C ARG A 479 5.072 -0.854 9.656 1.00 0.00 C ATOM 499 O ARG A 479 5.908 -1.252 8.846 1.00 0.00 O ATOM 500 CB ARG A 479 4.508 1.527 10.177 1.00 0.00 C ATOM 501 CG ARG A 479 5.789 2.222 9.746 1.00 0.00 C ATOM 502 CD ARG A 479 5.930 3.587 10.401 1.00 0.00 C ATOM 503 NE ARG A 479 6.934 4.412 9.736 1.00 0.00 N ATOM 504 CZ ARG A 479 7.090 5.711 9.968 1.00 0.00 C ATOM 505 NH1 ARG A 479 6.311 6.328 10.845 1.00 0.00 N ATOM 506 NH2 ARG A 479 8.027 6.394 9.323 1.00 0.00 N ATOM 0 H ARG A 479 2.185 0.669 9.961 1.00 0.00 H new ATOM 0 HA ARG A 479 4.284 0.568 8.266 1.00 0.00 H new ATOM 0 HB2 ARG A 479 3.687 2.243 10.141 1.00 0.00 H new ATOM 0 HB3 ARG A 479 4.609 1.209 11.215 1.00 0.00 H new ATOM 0 HG2 ARG A 479 6.646 1.602 10.007 1.00 0.00 H new ATOM 0 HG3 ARG A 479 5.796 2.335 8.662 1.00 0.00 H new ATOM 0 HD2 ARG A 479 4.968 4.100 10.381 1.00 0.00 H new ATOM 0 HD3 ARG A 479 6.202 3.460 11.449 1.00 0.00 H new ATOM 0 HE ARG A 479 7.550 3.967 9.056 1.00 0.00 H new ATOM 0 HH11 ARG A 479 5.590 5.806 11.343 1.00 0.00 H new ATOM 0 HH12 ARG A 479 6.432 7.325 11.022 1.00 0.00 H new ATOM 0 HH21 ARG A 479 8.629 5.922 8.648 1.00 0.00 H new ATOM 0 HH22 ARG A 479 8.146 7.391 9.502 1.00 0.00 H new ATOM 520 N GLU A 480 4.914 -1.397 10.859 1.00 0.00 N ATOM 521 CA GLU A 480 5.734 -2.517 11.305 1.00 0.00 C ATOM 522 C GLU A 480 5.392 -3.785 10.527 1.00 0.00 C ATOM 523 O GLU A 480 6.280 -4.537 10.124 1.00 0.00 O ATOM 524 CB GLU A 480 5.538 -2.757 12.804 1.00 0.00 C ATOM 525 CG GLU A 480 4.305 -3.582 13.132 1.00 0.00 C ATOM 526 CD GLU A 480 4.074 -3.717 14.625 1.00 0.00 C ATOM 527 OE1 GLU A 480 4.776 -4.530 15.262 1.00 0.00 O ATOM 528 OE2 GLU A 480 3.192 -3.010 15.155 1.00 0.00 O ATOM 0 H GLU A 480 4.226 -1.080 11.542 1.00 0.00 H new ATOM 0 HA GLU A 480 6.778 -2.267 11.118 1.00 0.00 H new ATOM 0 HB2 GLU A 480 6.419 -3.262 13.201 1.00 0.00 H new ATOM 0 HB3 GLU A 480 5.467 -1.795 13.311 1.00 0.00 H new ATOM 0 HG2 GLU A 480 3.431 -3.120 12.673 1.00 0.00 H new ATOM 0 HG3 GLU A 480 4.409 -4.574 12.693 1.00 0.00 H new ATOM 535 N LEU A 481 4.100 -4.015 10.320 1.00 0.00 N ATOM 536 CA LEU A 481 3.640 -5.191 9.591 1.00 0.00 C ATOM 537 C LEU A 481 4.460 -5.401 8.322 1.00 0.00 C ATOM 538 O LEU A 481 4.805 -6.530 7.973 1.00 0.00 O ATOM 539 CB LEU A 481 2.158 -5.049 9.237 1.00 0.00 C ATOM 540 CG LEU A 481 1.515 -6.250 8.544 1.00 0.00 C ATOM 541 CD1 LEU A 481 1.167 -7.328 9.559 1.00 0.00 C ATOM 542 CD2 LEU A 481 0.276 -5.821 7.773 1.00 0.00 C ATOM 0 H LEU A 481 3.353 -3.402 10.647 1.00 0.00 H new ATOM 0 HA LEU A 481 3.772 -6.061 10.234 1.00 0.00 H new ATOM 0 HB2 LEU A 481 1.604 -4.844 10.153 1.00 0.00 H new ATOM 0 HB3 LEU A 481 2.041 -4.178 8.593 1.00 0.00 H new ATOM 0 HG LEU A 481 2.233 -6.664 7.836 1.00 0.00 H new ATOM 0 HD11 LEU A 481 0.710 -8.175 9.048 1.00 0.00 H new ATOM 0 HD12 LEU A 481 2.074 -7.656 10.066 1.00 0.00 H new ATOM 0 HD13 LEU A 481 0.467 -6.926 10.291 1.00 0.00 H new ATOM 0 HD21 LEU A 481 -0.168 -6.689 7.286 1.00 0.00 H new ATOM 0 HD22 LEU A 481 -0.446 -5.381 8.461 1.00 0.00 H new ATOM 0 HD23 LEU A 481 0.554 -5.085 7.019 1.00 0.00 H new ATOM 554 N PHE A 482 4.771 -4.306 7.637 1.00 0.00 N ATOM 555 CA PHE A 482 5.551 -4.369 6.407 1.00 0.00 C ATOM 556 C PHE A 482 7.034 -4.152 6.693 1.00 0.00 C ATOM 557 O PHE A 482 7.888 -4.885 6.193 1.00 0.00 O ATOM 558 CB PHE A 482 5.055 -3.322 5.408 1.00 0.00 C ATOM 559 CG PHE A 482 3.725 -3.661 4.796 1.00 0.00 C ATOM 560 CD1 PHE A 482 3.640 -4.562 3.747 1.00 0.00 C ATOM 561 CD2 PHE A 482 2.561 -3.079 5.271 1.00 0.00 C ATOM 562 CE1 PHE A 482 2.418 -4.875 3.182 1.00 0.00 C ATOM 563 CE2 PHE A 482 1.336 -3.389 4.710 1.00 0.00 C ATOM 564 CZ PHE A 482 1.265 -4.288 3.665 1.00 0.00 C ATOM 0 H PHE A 482 4.495 -3.364 7.913 1.00 0.00 H new ATOM 0 HA PHE A 482 5.422 -5.362 5.975 1.00 0.00 H new ATOM 0 HB2 PHE A 482 4.979 -2.358 5.911 1.00 0.00 H new ATOM 0 HB3 PHE A 482 5.794 -3.210 4.614 1.00 0.00 H new ATOM 0 HD1 PHE A 482 4.539 -5.025 3.367 1.00 0.00 H new ATOM 0 HD2 PHE A 482 2.611 -2.375 6.089 1.00 0.00 H new ATOM 0 HE1 PHE A 482 2.365 -5.578 2.364 1.00 0.00 H new ATOM 0 HE2 PHE A 482 0.436 -2.928 5.089 1.00 0.00 H new ATOM 0 HZ PHE A 482 0.309 -4.532 3.226 1.00 0.00 H new ATOM 574 N SER A 483 7.334 -3.139 7.500 1.00 0.00 N ATOM 575 CA SER A 483 8.713 -2.822 7.850 1.00 0.00 C ATOM 576 C SER A 483 9.537 -4.095 8.020 1.00 0.00 C ATOM 577 O SER A 483 10.696 -4.159 7.610 1.00 0.00 O ATOM 578 CB SER A 483 8.759 -1.995 9.136 1.00 0.00 C ATOM 579 OG SER A 483 10.074 -1.542 9.405 1.00 0.00 O ATOM 0 H SER A 483 6.640 -2.524 7.924 1.00 0.00 H new ATOM 0 HA SER A 483 9.143 -2.238 7.036 1.00 0.00 H new ATOM 0 HB2 SER A 483 8.088 -1.141 9.047 1.00 0.00 H new ATOM 0 HB3 SER A 483 8.400 -2.596 9.971 1.00 0.00 H new ATOM 0 HG SER A 483 10.076 -1.015 10.231 1.00 0.00 H new ATOM 585 N THR A 484 8.929 -5.108 8.630 1.00 0.00 N ATOM 586 CA THR A 484 9.605 -6.379 8.857 1.00 0.00 C ATOM 587 C THR A 484 10.288 -6.874 7.587 1.00 0.00 C ATOM 588 O THR A 484 11.467 -7.225 7.601 1.00 0.00 O ATOM 589 CB THR A 484 8.622 -7.457 9.351 1.00 0.00 C ATOM 590 OG1 THR A 484 8.215 -7.172 10.694 1.00 0.00 O ATOM 591 CG2 THR A 484 9.258 -8.838 9.291 1.00 0.00 C ATOM 0 H THR A 484 7.970 -5.073 8.975 1.00 0.00 H new ATOM 0 HA THR A 484 10.358 -6.204 9.626 1.00 0.00 H new ATOM 0 HB THR A 484 7.749 -7.447 8.698 1.00 0.00 H new ATOM 0 HG1 THR A 484 7.621 -6.393 10.697 1.00 0.00 H new ATOM 0 HG21 THR A 484 8.545 -9.583 9.645 1.00 0.00 H new ATOM 0 HG22 THR A 484 9.539 -9.065 8.263 1.00 0.00 H new ATOM 0 HG23 THR A 484 10.146 -8.857 9.923 1.00 0.00 H new ATOM 599 N PHE A 485 9.539 -6.898 6.489 1.00 0.00 N ATOM 600 CA PHE A 485 10.073 -7.350 5.209 1.00 0.00 C ATOM 601 C PHE A 485 11.186 -6.424 4.727 1.00 0.00 C ATOM 602 O PHE A 485 12.213 -6.880 4.225 1.00 0.00 O ATOM 603 CB PHE A 485 8.959 -7.415 4.163 1.00 0.00 C ATOM 604 CG PHE A 485 8.095 -8.638 4.281 1.00 0.00 C ATOM 605 CD1 PHE A 485 7.111 -8.716 5.254 1.00 0.00 C ATOM 606 CD2 PHE A 485 8.267 -9.710 3.421 1.00 0.00 C ATOM 607 CE1 PHE A 485 6.316 -9.840 5.366 1.00 0.00 C ATOM 608 CE2 PHE A 485 7.474 -10.838 3.528 1.00 0.00 C ATOM 609 CZ PHE A 485 6.497 -10.902 4.501 1.00 0.00 C ATOM 0 H PHE A 485 8.561 -6.610 6.460 1.00 0.00 H new ATOM 0 HA PHE A 485 10.490 -8.348 5.349 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.333 -6.528 4.255 1.00 0.00 H new ATOM 0 HB3 PHE A 485 9.404 -7.389 3.168 1.00 0.00 H new ATOM 0 HD1 PHE A 485 6.964 -7.889 5.932 1.00 0.00 H new ATOM 0 HD2 PHE A 485 9.030 -9.664 2.658 1.00 0.00 H new ATOM 0 HE1 PHE A 485 5.553 -9.889 6.129 1.00 0.00 H new ATOM 0 HE2 PHE A 485 7.619 -11.667 2.851 1.00 0.00 H new ATOM 0 HZ PHE A 485 5.875 -11.781 4.586 1.00 0.00 H new ATOM 619 N GLY A 486 10.973 -5.121 4.883 1.00 0.00 N ATOM 620 CA GLY A 486 11.966 -4.151 4.458 1.00 0.00 C ATOM 621 C GLY A 486 11.612 -2.738 4.876 1.00 0.00 C ATOM 622 O GLY A 486 10.494 -2.478 5.320 1.00 0.00 O ATOM 0 H GLY A 486 10.131 -4.720 5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 486 12.935 -4.419 4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 486 12.068 -4.191 3.373 1.00 0.00 H new ATOM 626 N GLU A 487 12.567 -1.824 4.735 1.00 0.00 N ATOM 627 CA GLU A 487 12.350 -0.430 5.105 1.00 0.00 C ATOM 628 C GLU A 487 11.222 0.182 4.279 1.00 0.00 C ATOM 629 O GLU A 487 11.096 -0.086 3.084 1.00 0.00 O ATOM 630 CB GLU A 487 13.635 0.378 4.911 1.00 0.00 C ATOM 631 CG GLU A 487 13.540 1.804 5.427 1.00 0.00 C ATOM 632 CD GLU A 487 13.759 1.898 6.925 1.00 0.00 C ATOM 633 OE1 GLU A 487 14.923 1.784 7.362 1.00 0.00 O ATOM 634 OE2 GLU A 487 12.766 2.086 7.659 1.00 0.00 O ATOM 0 H GLU A 487 13.497 -2.023 4.368 1.00 0.00 H new ATOM 0 HA GLU A 487 12.065 -0.399 6.157 1.00 0.00 H new ATOM 0 HB2 GLU A 487 14.454 -0.130 5.420 1.00 0.00 H new ATOM 0 HB3 GLU A 487 13.884 0.400 3.850 1.00 0.00 H new ATOM 0 HG2 GLU A 487 14.279 2.421 4.916 1.00 0.00 H new ATOM 0 HG3 GLU A 487 12.559 2.211 5.181 1.00 0.00 H new ATOM 641 N LEU A 488 10.403 1.004 4.926 1.00 0.00 N ATOM 642 CA LEU A 488 9.284 1.655 4.253 1.00 0.00 C ATOM 643 C LEU A 488 9.598 3.120 3.968 1.00 0.00 C ATOM 644 O LEU A 488 10.380 3.750 4.681 1.00 0.00 O ATOM 645 CB LEU A 488 8.019 1.549 5.106 1.00 0.00 C ATOM 646 CG LEU A 488 7.643 0.144 5.578 1.00 0.00 C ATOM 647 CD1 LEU A 488 6.491 0.204 6.569 1.00 0.00 C ATOM 648 CD2 LEU A 488 7.283 -0.738 4.392 1.00 0.00 C ATOM 0 H LEU A 488 10.493 1.236 5.915 1.00 0.00 H new ATOM 0 HA LEU A 488 9.118 1.147 3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 488 8.142 2.184 5.983 1.00 0.00 H new ATOM 0 HB3 LEU A 488 7.184 1.954 4.534 1.00 0.00 H new ATOM 0 HG LEU A 488 8.506 -0.292 6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 488 6.237 -0.805 6.894 1.00 0.00 H new ATOM 0 HD12 LEU A 488 6.785 0.800 7.433 1.00 0.00 H new ATOM 0 HD13 LEU A 488 5.624 0.660 6.092 1.00 0.00 H new ATOM 0 HD21 LEU A 488 7.018 -1.734 4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 488 6.436 -0.305 3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 488 8.137 -0.808 3.718 1.00 0.00 H new ATOM 660 N LYS A 489 8.981 3.659 2.921 1.00 0.00 N ATOM 661 CA LYS A 489 9.191 5.051 2.543 1.00 0.00 C ATOM 662 C LYS A 489 8.230 5.970 3.291 1.00 0.00 C ATOM 663 O LYS A 489 8.602 7.067 3.708 1.00 0.00 O ATOM 664 CB LYS A 489 9.006 5.224 1.033 1.00 0.00 C ATOM 665 CG LYS A 489 10.287 5.036 0.238 1.00 0.00 C ATOM 666 CD LYS A 489 11.216 6.229 0.387 1.00 0.00 C ATOM 667 CE LYS A 489 12.250 6.272 -0.727 1.00 0.00 C ATOM 668 NZ LYS A 489 12.875 7.618 -0.852 1.00 0.00 N ATOM 0 H LYS A 489 8.332 3.152 2.320 1.00 0.00 H new ATOM 0 HA LYS A 489 10.211 5.324 2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 489 8.262 4.509 0.682 1.00 0.00 H new ATOM 0 HB3 LYS A 489 8.609 6.220 0.836 1.00 0.00 H new ATOM 0 HG2 LYS A 489 10.796 4.133 0.575 1.00 0.00 H new ATOM 0 HG3 LYS A 489 10.045 4.891 -0.815 1.00 0.00 H new ATOM 0 HD2 LYS A 489 10.632 7.149 0.379 1.00 0.00 H new ATOM 0 HD3 LYS A 489 11.721 6.180 1.352 1.00 0.00 H new ATOM 0 HE2 LYS A 489 13.024 5.529 -0.533 1.00 0.00 H new ATOM 0 HE3 LYS A 489 11.778 6.002 -1.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 489 13.574 7.606 -1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 489 12.140 8.324 -1.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 489 13.348 7.866 0.041 1.00 0.00 H new ATOM 682 N THR A 490 6.993 5.513 3.461 1.00 0.00 N ATOM 683 CA THR A 490 5.980 6.293 4.159 1.00 0.00 C ATOM 684 C THR A 490 4.698 5.489 4.346 1.00 0.00 C ATOM 685 O THR A 490 4.347 4.659 3.507 1.00 0.00 O ATOM 686 CB THR A 490 5.651 7.594 3.402 1.00 0.00 C ATOM 687 OG1 THR A 490 4.626 8.317 4.093 1.00 0.00 O ATOM 688 CG2 THR A 490 5.196 7.293 1.982 1.00 0.00 C ATOM 0 H THR A 490 6.669 4.606 3.124 1.00 0.00 H new ATOM 0 HA THR A 490 6.393 6.545 5.136 1.00 0.00 H new ATOM 0 HB THR A 490 6.555 8.201 3.356 1.00 0.00 H new ATOM 0 HG1 THR A 490 4.424 9.143 3.606 1.00 0.00 H new ATOM 0 HG21 THR A 490 4.969 8.227 1.467 1.00 0.00 H new ATOM 0 HG22 THR A 490 5.989 6.768 1.449 1.00 0.00 H new ATOM 0 HG23 THR A 490 4.303 6.668 2.011 1.00 0.00 H new ATOM 696 N VAL A 491 4.003 5.739 5.451 1.00 0.00 N ATOM 697 CA VAL A 491 2.759 5.039 5.746 1.00 0.00 C ATOM 698 C VAL A 491 1.588 6.012 5.832 1.00 0.00 C ATOM 699 O VAL A 491 1.511 6.827 6.752 1.00 0.00 O ATOM 700 CB VAL A 491 2.857 4.253 7.067 1.00 0.00 C ATOM 701 CG1 VAL A 491 1.478 3.801 7.524 1.00 0.00 C ATOM 702 CG2 VAL A 491 3.792 3.063 6.910 1.00 0.00 C ATOM 0 H VAL A 491 4.281 6.421 6.157 1.00 0.00 H new ATOM 0 HA VAL A 491 2.587 4.340 4.928 1.00 0.00 H new ATOM 0 HB VAL A 491 3.269 4.912 7.832 1.00 0.00 H new ATOM 0 HG11 VAL A 491 1.568 3.247 8.459 1.00 0.00 H new ATOM 0 HG12 VAL A 491 0.842 4.673 7.678 1.00 0.00 H new ATOM 0 HG13 VAL A 491 1.035 3.159 6.763 1.00 0.00 H new ATOM 0 HG21 VAL A 491 3.850 2.519 7.853 1.00 0.00 H new ATOM 0 HG22 VAL A 491 3.411 2.401 6.132 1.00 0.00 H new ATOM 0 HG23 VAL A 491 4.786 3.415 6.633 1.00 0.00 H new ATOM 712 N ARG A 492 0.678 5.920 4.868 1.00 0.00 N ATOM 713 CA ARG A 492 -0.490 6.793 4.835 1.00 0.00 C ATOM 714 C ARG A 492 -1.741 6.044 5.284 1.00 0.00 C ATOM 715 O ARG A 492 -2.133 5.047 4.676 1.00 0.00 O ATOM 716 CB ARG A 492 -0.695 7.352 3.426 1.00 0.00 C ATOM 717 CG ARG A 492 0.339 8.391 3.026 1.00 0.00 C ATOM 718 CD ARG A 492 -0.118 9.197 1.820 1.00 0.00 C ATOM 719 NE ARG A 492 -0.911 10.360 2.207 1.00 0.00 N ATOM 720 CZ ARG A 492 -0.397 11.442 2.781 1.00 0.00 C ATOM 721 NH1 ARG A 492 0.903 11.510 3.031 1.00 0.00 N ATOM 722 NH2 ARG A 492 -1.185 12.460 3.104 1.00 0.00 N ATOM 0 H ARG A 492 0.727 5.251 4.100 1.00 0.00 H new ATOM 0 HA ARG A 492 -0.315 7.619 5.524 1.00 0.00 H new ATOM 0 HB2 ARG A 492 -0.667 6.530 2.711 1.00 0.00 H new ATOM 0 HB3 ARG A 492 -1.688 7.797 3.362 1.00 0.00 H new ATOM 0 HG2 ARG A 492 0.525 9.062 3.864 1.00 0.00 H new ATOM 0 HG3 ARG A 492 1.283 7.897 2.798 1.00 0.00 H new ATOM 0 HD2 ARG A 492 0.753 9.525 1.252 1.00 0.00 H new ATOM 0 HD3 ARG A 492 -0.707 8.560 1.160 1.00 0.00 H new ATOM 0 HE ARG A 492 -1.915 10.341 2.027 1.00 0.00 H new ATOM 0 HH11 ARG A 492 1.512 10.730 2.782 1.00 0.00 H new ATOM 0 HH12 ARG A 492 1.295 12.342 3.472 1.00 0.00 H new ATOM 0 HH21 ARG A 492 -2.185 12.412 2.911 1.00 0.00 H new ATOM 0 HH22 ARG A 492 -0.790 13.291 3.545 1.00 0.00 H new ATOM 736 N LEU A 493 -2.364 6.530 6.352 1.00 0.00 N ATOM 737 CA LEU A 493 -3.571 5.907 6.883 1.00 0.00 C ATOM 738 C LEU A 493 -4.570 6.963 7.348 1.00 0.00 C ATOM 739 O LEU A 493 -4.200 8.012 7.877 1.00 0.00 O ATOM 740 CB LEU A 493 -3.219 4.976 8.045 1.00 0.00 C ATOM 741 CG LEU A 493 -2.916 3.524 7.673 1.00 0.00 C ATOM 742 CD1 LEU A 493 -1.432 3.345 7.390 1.00 0.00 C ATOM 743 CD2 LEU A 493 -3.367 2.584 8.781 1.00 0.00 C ATOM 0 H LEU A 493 -2.053 7.354 6.867 1.00 0.00 H new ATOM 0 HA LEU A 493 -4.031 5.325 6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.352 5.386 8.563 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -4.047 4.983 8.754 1.00 0.00 H new ATOM 0 HG LEU A 493 -3.470 3.277 6.767 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.235 2.306 7.127 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -1.139 3.991 6.562 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -0.858 3.610 8.278 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -3.143 1.555 8.499 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.841 2.830 9.703 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -4.440 2.693 8.936 1.00 0.00 H new ATOM 899 N ARG A 504 -10.908 4.637 7.285 1.00 0.00 N ATOM 900 CA ARG A 504 -11.296 3.684 6.251 1.00 0.00 C ATOM 901 C ARG A 504 -10.429 2.429 6.316 1.00 0.00 C ATOM 902 O ARG A 504 -9.250 2.494 6.661 1.00 0.00 O ATOM 903 CB ARG A 504 -11.181 4.325 4.867 1.00 0.00 C ATOM 904 CG ARG A 504 -12.422 5.096 4.449 1.00 0.00 C ATOM 905 CD ARG A 504 -13.515 4.164 3.949 1.00 0.00 C ATOM 906 NE ARG A 504 -14.820 4.820 3.914 1.00 0.00 N ATOM 907 CZ ARG A 504 -15.548 5.065 4.998 1.00 0.00 C ATOM 908 NH1 ARG A 504 -15.100 4.712 6.195 1.00 0.00 N ATOM 909 NH2 ARG A 504 -16.726 5.666 4.885 1.00 0.00 N ATOM 0 HA ARG A 504 -12.333 3.398 6.426 1.00 0.00 H new ATOM 0 HB2 ARG A 504 -10.324 4.999 4.858 1.00 0.00 H new ATOM 0 HB3 ARG A 504 -10.982 3.546 4.131 1.00 0.00 H new ATOM 0 HG2 ARG A 504 -12.794 5.674 5.295 1.00 0.00 H new ATOM 0 HG3 ARG A 504 -12.163 5.808 3.665 1.00 0.00 H new ATOM 0 HD2 ARG A 504 -13.260 3.810 2.950 1.00 0.00 H new ATOM 0 HD3 ARG A 504 -13.567 3.287 4.594 1.00 0.00 H new ATOM 0 HE ARG A 504 -15.192 5.105 3.008 1.00 0.00 H new ATOM 0 HH11 ARG A 504 -14.194 4.251 6.285 1.00 0.00 H new ATOM 0 HH12 ARG A 504 -15.661 4.901 7.026 1.00 0.00 H new ATOM 0 HH21 ARG A 504 -17.073 5.940 3.966 1.00 0.00 H new ATOM 0 HH22 ARG A 504 -17.285 5.854 5.717 1.00 0.00 H new ATOM 923 N GLY A 505 -11.024 1.288 5.982 1.00 0.00 N ATOM 924 CA GLY A 505 -10.292 0.035 6.010 1.00 0.00 C ATOM 925 C GLY A 505 -9.319 -0.094 4.855 1.00 0.00 C ATOM 926 O GLY A 505 -9.455 -0.984 4.015 1.00 0.00 O ATOM 0 H GLY A 505 -11.999 1.209 5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 505 -9.747 -0.043 6.951 1.00 0.00 H new ATOM 0 HA3 GLY A 505 -10.998 -0.795 5.981 1.00 0.00 H new ATOM 930 N PHE A 506 -8.335 0.798 4.810 1.00 0.00 N ATOM 931 CA PHE A 506 -7.336 0.783 3.747 1.00 0.00 C ATOM 932 C PHE A 506 -6.088 1.555 4.162 1.00 0.00 C ATOM 933 O PHE A 506 -6.075 2.229 5.192 1.00 0.00 O ATOM 934 CB PHE A 506 -7.917 1.380 2.464 1.00 0.00 C ATOM 935 CG PHE A 506 -7.736 2.868 2.360 1.00 0.00 C ATOM 936 CD1 PHE A 506 -8.243 3.711 3.336 1.00 0.00 C ATOM 937 CD2 PHE A 506 -7.059 3.423 1.286 1.00 0.00 C ATOM 938 CE1 PHE A 506 -8.077 5.080 3.244 1.00 0.00 C ATOM 939 CE2 PHE A 506 -6.891 4.792 1.189 1.00 0.00 C ATOM 940 CZ PHE A 506 -7.401 5.621 2.168 1.00 0.00 C ATOM 0 H PHE A 506 -8.208 1.541 5.497 1.00 0.00 H new ATOM 0 HA PHE A 506 -7.054 -0.254 3.562 1.00 0.00 H new ATOM 0 HB2 PHE A 506 -7.445 0.904 1.605 1.00 0.00 H new ATOM 0 HB3 PHE A 506 -8.981 1.147 2.413 1.00 0.00 H new ATOM 0 HD1 PHE A 506 -8.774 3.293 4.179 1.00 0.00 H new ATOM 0 HD2 PHE A 506 -6.658 2.780 0.517 1.00 0.00 H new ATOM 0 HE1 PHE A 506 -8.475 5.726 4.012 1.00 0.00 H new ATOM 0 HE2 PHE A 506 -6.361 5.213 0.347 1.00 0.00 H new ATOM 0 HZ PHE A 506 -7.272 6.691 2.093 1.00 0.00 H new ATOM 950 N GLY A 507 -5.039 1.453 3.352 1.00 0.00 N ATOM 951 CA GLY A 507 -3.800 2.146 3.651 1.00 0.00 C ATOM 952 C GLY A 507 -2.776 2.009 2.542 1.00 0.00 C ATOM 953 O GLY A 507 -2.701 0.973 1.881 1.00 0.00 O ATOM 0 H GLY A 507 -5.025 0.902 2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 507 -4.010 3.202 3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 507 -3.382 1.753 4.578 1.00 0.00 H new ATOM 957 N PHE A 508 -1.985 3.057 2.335 1.00 0.00 N ATOM 958 CA PHE A 508 -0.963 3.050 1.296 1.00 0.00 C ATOM 959 C PHE A 508 0.428 2.885 1.902 1.00 0.00 C ATOM 960 O PHE A 508 0.885 3.728 2.675 1.00 0.00 O ATOM 961 CB PHE A 508 -1.026 4.344 0.480 1.00 0.00 C ATOM 962 CG PHE A 508 -2.045 4.308 -0.622 1.00 0.00 C ATOM 963 CD1 PHE A 508 -3.398 4.228 -0.330 1.00 0.00 C ATOM 964 CD2 PHE A 508 -1.652 4.356 -1.949 1.00 0.00 C ATOM 965 CE1 PHE A 508 -4.338 4.195 -1.342 1.00 0.00 C ATOM 966 CE2 PHE A 508 -2.588 4.323 -2.966 1.00 0.00 C ATOM 967 CZ PHE A 508 -3.932 4.243 -2.662 1.00 0.00 C ATOM 0 H PHE A 508 -2.033 3.922 2.874 1.00 0.00 H new ATOM 0 HA PHE A 508 -1.156 2.203 0.637 1.00 0.00 H new ATOM 0 HB2 PHE A 508 -1.254 5.175 1.148 1.00 0.00 H new ATOM 0 HB3 PHE A 508 -0.044 4.541 0.050 1.00 0.00 H new ATOM 0 HD1 PHE A 508 -3.721 4.191 0.700 1.00 0.00 H new ATOM 0 HD2 PHE A 508 -0.602 4.420 -2.192 1.00 0.00 H new ATOM 0 HE1 PHE A 508 -5.389 4.132 -1.102 1.00 0.00 H new ATOM 0 HE2 PHE A 508 -2.268 4.360 -3.997 1.00 0.00 H new ATOM 0 HZ PHE A 508 -4.665 4.218 -3.455 1.00 0.00 H new ATOM 977 N VAL A 509 1.096 1.793 1.547 1.00 0.00 N ATOM 978 CA VAL A 509 2.435 1.516 2.054 1.00 0.00 C ATOM 979 C VAL A 509 3.469 1.571 0.936 1.00 0.00 C ATOM 980 O VAL A 509 3.289 0.964 -0.120 1.00 0.00 O ATOM 981 CB VAL A 509 2.503 0.136 2.734 1.00 0.00 C ATOM 982 CG1 VAL A 509 3.871 -0.084 3.362 1.00 0.00 C ATOM 983 CG2 VAL A 509 1.401 0.000 3.775 1.00 0.00 C ATOM 0 H VAL A 509 0.732 1.085 0.910 1.00 0.00 H new ATOM 0 HA VAL A 509 2.660 2.287 2.790 1.00 0.00 H new ATOM 0 HB VAL A 509 2.351 -0.631 1.975 1.00 0.00 H new ATOM 0 HG11 VAL A 509 3.900 -1.064 3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 509 4.638 -0.033 2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 509 4.057 0.687 4.109 1.00 0.00 H new ATOM 0 HG21 VAL A 509 1.464 -0.981 4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 509 1.519 0.774 4.533 1.00 0.00 H new ATOM 0 HG23 VAL A 509 0.430 0.109 3.293 1.00 0.00 H new ATOM 993 N ASP A 510 4.552 2.302 1.175 1.00 0.00 N ATOM 994 CA ASP A 510 5.617 2.435 0.188 1.00 0.00 C ATOM 995 C ASP A 510 6.910 1.804 0.695 1.00 0.00 C ATOM 996 O ASP A 510 7.180 1.796 1.896 1.00 0.00 O ATOM 997 CB ASP A 510 5.852 3.909 -0.145 1.00 0.00 C ATOM 998 CG ASP A 510 4.627 4.568 -0.751 1.00 0.00 C ATOM 999 OD1 ASP A 510 3.507 4.279 -0.283 1.00 0.00 O ATOM 1000 OD2 ASP A 510 4.790 5.372 -1.693 1.00 0.00 O ATOM 0 H ASP A 510 4.716 2.811 2.043 1.00 0.00 H new ATOM 0 HA ASP A 510 5.308 1.911 -0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 510 6.137 4.442 0.762 1.00 0.00 H new ATOM 0 HB3 ASP A 510 6.687 3.993 -0.840 1.00 0.00 H new ATOM 1005 N PHE A 511 7.706 1.275 -0.228 1.00 0.00 N ATOM 1006 CA PHE A 511 8.970 0.639 0.125 1.00 0.00 C ATOM 1007 C PHE A 511 10.145 1.372 -0.515 1.00 0.00 C ATOM 1008 O PHE A 511 10.037 1.887 -1.629 1.00 0.00 O ATOM 1009 CB PHE A 511 8.968 -0.827 -0.313 1.00 0.00 C ATOM 1010 CG PHE A 511 8.444 -1.765 0.736 1.00 0.00 C ATOM 1011 CD1 PHE A 511 7.080 -1.939 0.911 1.00 0.00 C ATOM 1012 CD2 PHE A 511 9.315 -2.475 1.548 1.00 0.00 C ATOM 1013 CE1 PHE A 511 6.595 -2.801 1.876 1.00 0.00 C ATOM 1014 CE2 PHE A 511 8.836 -3.339 2.514 1.00 0.00 C ATOM 1015 CZ PHE A 511 7.474 -3.503 2.678 1.00 0.00 C ATOM 0 H PHE A 511 7.498 1.274 -1.227 1.00 0.00 H new ATOM 0 HA PHE A 511 9.082 0.687 1.208 1.00 0.00 H new ATOM 0 HB2 PHE A 511 8.363 -0.928 -1.214 1.00 0.00 H new ATOM 0 HB3 PHE A 511 9.984 -1.121 -0.577 1.00 0.00 H new ATOM 0 HD1 PHE A 511 6.388 -1.394 0.286 1.00 0.00 H new ATOM 0 HD2 PHE A 511 10.381 -2.351 1.424 1.00 0.00 H new ATOM 0 HE1 PHE A 511 5.530 -2.926 2.003 1.00 0.00 H new ATOM 0 HE2 PHE A 511 9.526 -3.886 3.140 1.00 0.00 H new ATOM 0 HZ PHE A 511 7.097 -4.179 3.432 1.00 0.00 H new ATOM 1025 N ILE A 512 11.267 1.414 0.196 1.00 0.00 N ATOM 1026 CA ILE A 512 12.462 2.083 -0.303 1.00 0.00 C ATOM 1027 C ILE A 512 12.885 1.517 -1.655 1.00 0.00 C ATOM 1028 O ILE A 512 13.247 2.262 -2.566 1.00 0.00 O ATOM 1029 CB ILE A 512 13.636 1.949 0.686 1.00 0.00 C ATOM 1030 CG1 ILE A 512 13.214 2.423 2.078 1.00 0.00 C ATOM 1031 CG2 ILE A 512 14.837 2.742 0.192 1.00 0.00 C ATOM 1032 CD1 ILE A 512 12.814 3.881 2.126 1.00 0.00 C ATOM 0 H ILE A 512 11.373 0.993 1.119 1.00 0.00 H new ATOM 0 HA ILE A 512 12.210 3.137 -0.416 1.00 0.00 H new ATOM 0 HB ILE A 512 13.920 0.899 0.751 1.00 0.00 H new ATOM 0 HG12 ILE A 512 12.378 1.814 2.422 1.00 0.00 H new ATOM 0 HG13 ILE A 512 14.036 2.257 2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 512 15.658 2.638 0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 512 15.148 2.363 -0.782 1.00 0.00 H new ATOM 0 HG23 ILE A 512 14.566 3.794 0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 512 12.527 4.146 3.144 1.00 0.00 H new ATOM 0 HD12 ILE A 512 13.655 4.500 1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 512 11.971 4.049 1.456 1.00 0.00 H new ATOM 1044 N THR A 513 12.834 0.195 -1.779 1.00 0.00 N ATOM 1045 CA THR A 513 13.210 -0.472 -3.019 1.00 0.00 C ATOM 1046 C THR A 513 12.041 -1.260 -3.597 1.00 0.00 C ATOM 1047 O THR A 513 11.349 -1.981 -2.878 1.00 0.00 O ATOM 1048 CB THR A 513 14.402 -1.425 -2.806 1.00 0.00 C ATOM 1049 OG1 THR A 513 14.001 -2.536 -1.997 1.00 0.00 O ATOM 1050 CG2 THR A 513 15.563 -0.700 -2.143 1.00 0.00 C ATOM 0 H THR A 513 12.536 -0.436 -1.035 1.00 0.00 H new ATOM 0 HA THR A 513 13.500 0.309 -3.722 1.00 0.00 H new ATOM 0 HB THR A 513 14.730 -1.786 -3.781 1.00 0.00 H new ATOM 0 HG1 THR A 513 14.763 -3.138 -1.867 1.00 0.00 H new ATOM 0 HG21 THR A 513 16.393 -1.393 -2.003 1.00 0.00 H new ATOM 0 HG22 THR A 513 15.884 0.127 -2.776 1.00 0.00 H new ATOM 0 HG23 THR A 513 15.245 -0.314 -1.174 1.00 0.00 H new ATOM 1058 N LYS A 514 11.824 -1.119 -4.900 1.00 0.00 N ATOM 1059 CA LYS A 514 10.739 -1.819 -5.576 1.00 0.00 C ATOM 1060 C LYS A 514 10.723 -3.296 -5.195 1.00 0.00 C ATOM 1061 O LYS A 514 9.685 -3.837 -4.817 1.00 0.00 O ATOM 1062 CB LYS A 514 10.878 -1.675 -7.094 1.00 0.00 C ATOM 1063 CG LYS A 514 10.317 -0.371 -7.635 1.00 0.00 C ATOM 1064 CD LYS A 514 10.948 -0.003 -8.967 1.00 0.00 C ATOM 1065 CE LYS A 514 10.392 -0.852 -10.101 1.00 0.00 C ATOM 1066 NZ LYS A 514 11.102 -0.597 -11.384 1.00 0.00 N ATOM 0 H LYS A 514 12.386 -0.525 -5.510 1.00 0.00 H new ATOM 0 HA LYS A 514 9.798 -1.370 -5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 514 11.932 -1.746 -7.362 1.00 0.00 H new ATOM 0 HB3 LYS A 514 10.369 -2.508 -7.578 1.00 0.00 H new ATOM 0 HG2 LYS A 514 9.237 -0.460 -7.755 1.00 0.00 H new ATOM 0 HG3 LYS A 514 10.493 0.428 -6.915 1.00 0.00 H new ATOM 0 HD2 LYS A 514 10.767 1.051 -9.178 1.00 0.00 H new ATOM 0 HD3 LYS A 514 12.028 -0.135 -8.908 1.00 0.00 H new ATOM 0 HE2 LYS A 514 10.479 -1.907 -9.841 1.00 0.00 H new ATOM 0 HE3 LYS A 514 9.330 -0.641 -10.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 514 10.694 -1.194 -12.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 514 10.998 0.404 -11.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 514 12.111 -0.823 -11.273 1.00 0.00 H new ATOM 1080 N GLN A 515 11.881 -3.941 -5.295 1.00 0.00 N ATOM 1081 CA GLN A 515 12.000 -5.355 -4.960 1.00 0.00 C ATOM 1082 C GLN A 515 11.250 -5.673 -3.670 1.00 0.00 C ATOM 1083 O GLN A 515 10.316 -6.475 -3.665 1.00 0.00 O ATOM 1084 CB GLN A 515 13.472 -5.746 -4.817 1.00 0.00 C ATOM 1085 CG GLN A 515 14.181 -5.940 -6.148 1.00 0.00 C ATOM 1086 CD GLN A 515 14.087 -7.366 -6.656 1.00 0.00 C ATOM 1087 OE1 GLN A 515 13.167 -8.104 -6.302 1.00 0.00 O ATOM 1088 NE2 GLN A 515 15.041 -7.760 -7.492 1.00 0.00 N ATOM 0 H GLN A 515 12.750 -3.507 -5.605 1.00 0.00 H new ATOM 0 HA GLN A 515 11.556 -5.933 -5.770 1.00 0.00 H new ATOM 0 HB2 GLN A 515 13.991 -4.975 -4.247 1.00 0.00 H new ATOM 0 HB3 GLN A 515 13.540 -6.668 -4.240 1.00 0.00 H new ATOM 0 HG2 GLN A 515 13.749 -5.266 -6.887 1.00 0.00 H new ATOM 0 HG3 GLN A 515 15.230 -5.665 -6.040 1.00 0.00 H new ATOM 0 HE21 GLN A 515 15.784 -7.114 -7.758 1.00 0.00 H new ATOM 0 HE22 GLN A 515 15.030 -8.708 -7.868 1.00 0.00 H new ATOM 1097 N ASP A 516 11.665 -5.039 -2.579 1.00 0.00 N ATOM 1098 CA ASP A 516 11.032 -5.253 -1.283 1.00 0.00 C ATOM 1099 C ASP A 516 9.514 -5.315 -1.423 1.00 0.00 C ATOM 1100 O ASP A 516 8.883 -6.295 -1.028 1.00 0.00 O ATOM 1101 CB ASP A 516 11.422 -4.140 -0.310 1.00 0.00 C ATOM 1102 CG ASP A 516 12.838 -4.295 0.209 1.00 0.00 C ATOM 1103 OD1 ASP A 516 13.467 -5.334 -0.082 1.00 0.00 O ATOM 1104 OD2 ASP A 516 13.318 -3.376 0.906 1.00 0.00 O ATOM 0 H ASP A 516 12.437 -4.373 -2.566 1.00 0.00 H new ATOM 0 HA ASP A 516 11.382 -6.207 -0.889 1.00 0.00 H new ATOM 0 HB2 ASP A 516 11.324 -3.175 -0.808 1.00 0.00 H new ATOM 0 HB3 ASP A 516 10.728 -4.137 0.531 1.00 0.00 H new ATOM 1109 N ALA A 517 8.934 -4.260 -1.987 1.00 0.00 N ATOM 1110 CA ALA A 517 7.491 -4.195 -2.180 1.00 0.00 C ATOM 1111 C ALA A 517 6.965 -5.470 -2.830 1.00 0.00 C ATOM 1112 O ALA A 517 5.904 -5.976 -2.462 1.00 0.00 O ATOM 1113 CB ALA A 517 7.125 -2.982 -3.022 1.00 0.00 C ATOM 0 H ALA A 517 9.441 -3.439 -2.318 1.00 0.00 H new ATOM 0 HA ALA A 517 7.023 -4.098 -1.200 1.00 0.00 H new ATOM 0 HB1 ALA A 517 6.044 -2.946 -3.158 1.00 0.00 H new ATOM 0 HB2 ALA A 517 7.457 -2.075 -2.517 1.00 0.00 H new ATOM 0 HB3 ALA A 517 7.611 -3.054 -3.995 1.00 0.00 H new ATOM 1119 N LYS A 518 7.713 -5.986 -3.800 1.00 0.00 N ATOM 1120 CA LYS A 518 7.323 -7.203 -4.501 1.00 0.00 C ATOM 1121 C LYS A 518 7.240 -8.384 -3.539 1.00 0.00 C ATOM 1122 O LYS A 518 6.166 -8.941 -3.315 1.00 0.00 O ATOM 1123 CB LYS A 518 8.321 -7.513 -5.620 1.00 0.00 C ATOM 1124 CG LYS A 518 7.722 -8.310 -6.766 1.00 0.00 C ATOM 1125 CD LYS A 518 6.852 -7.438 -7.656 1.00 0.00 C ATOM 1126 CE LYS A 518 6.730 -8.019 -9.057 1.00 0.00 C ATOM 1127 NZ LYS A 518 5.893 -9.250 -9.076 1.00 0.00 N ATOM 0 H LYS A 518 8.593 -5.580 -4.118 1.00 0.00 H new ATOM 0 HA LYS A 518 6.336 -7.041 -4.935 1.00 0.00 H new ATOM 0 HB2 LYS A 518 8.720 -6.576 -6.009 1.00 0.00 H new ATOM 0 HB3 LYS A 518 9.161 -8.068 -5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 518 8.522 -8.753 -7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 518 7.128 -9.132 -6.367 1.00 0.00 H new ATOM 0 HD2 LYS A 518 5.861 -7.340 -7.214 1.00 0.00 H new ATOM 0 HD3 LYS A 518 7.277 -6.436 -7.712 1.00 0.00 H new ATOM 0 HE2 LYS A 518 6.295 -7.274 -9.723 1.00 0.00 H new ATOM 0 HE3 LYS A 518 7.723 -8.249 -9.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 5.834 -9.615 -10.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 6.322 -9.971 -8.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 4.937 -9.025 -8.732 1.00 0.00 H new ATOM 1141 N LYS A 519 8.381 -8.759 -2.971 1.00 0.00 N ATOM 1142 CA LYS A 519 8.438 -9.871 -2.029 1.00 0.00 C ATOM 1143 C LYS A 519 7.293 -9.793 -1.025 1.00 0.00 C ATOM 1144 O LYS A 519 6.438 -10.676 -0.974 1.00 0.00 O ATOM 1145 CB LYS A 519 9.779 -9.874 -1.292 1.00 0.00 C ATOM 1146 CG LYS A 519 10.981 -9.962 -2.216 1.00 0.00 C ATOM 1147 CD LYS A 519 12.185 -10.563 -1.509 1.00 0.00 C ATOM 1148 CE LYS A 519 12.820 -9.570 -0.547 1.00 0.00 C ATOM 1149 NZ LYS A 519 13.764 -8.651 -1.242 1.00 0.00 N ATOM 0 H LYS A 519 9.279 -8.309 -3.147 1.00 0.00 H new ATOM 0 HA LYS A 519 8.339 -10.798 -2.594 1.00 0.00 H new ATOM 0 HB2 LYS A 519 9.857 -8.966 -0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 519 9.801 -10.715 -0.599 1.00 0.00 H new ATOM 0 HG2 LYS A 519 10.729 -10.568 -3.086 1.00 0.00 H new ATOM 0 HG3 LYS A 519 11.233 -8.967 -2.583 1.00 0.00 H new ATOM 0 HD2 LYS A 519 11.879 -11.456 -0.963 1.00 0.00 H new ATOM 0 HD3 LYS A 519 12.922 -10.878 -2.248 1.00 0.00 H new ATOM 0 HE2 LYS A 519 12.039 -8.987 -0.059 1.00 0.00 H new ATOM 0 HE3 LYS A 519 13.351 -10.111 0.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 14.176 -7.990 -0.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 14.524 -9.205 -1.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 13.253 -8.116 -1.972 1.00 0.00 H new ATOM 1163 N ALA A 520 7.283 -8.730 -0.227 1.00 0.00 N ATOM 1164 CA ALA A 520 6.242 -8.535 0.773 1.00 0.00 C ATOM 1165 C ALA A 520 4.855 -8.707 0.163 1.00 0.00 C ATOM 1166 O ALA A 520 4.124 -9.635 0.508 1.00 0.00 O ATOM 1167 CB ALA A 520 6.373 -7.159 1.411 1.00 0.00 C ATOM 0 H ALA A 520 7.985 -7.991 -0.254 1.00 0.00 H new ATOM 0 HA ALA A 520 6.368 -9.295 1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 520 5.589 -7.027 2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 520 7.348 -7.072 1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 520 6.277 -6.391 0.643 1.00 0.00 H new ATOM 1173 N PHE A 521 4.498 -7.806 -0.747 1.00 0.00 N ATOM 1174 CA PHE A 521 3.197 -7.857 -1.404 1.00 0.00 C ATOM 1175 C PHE A 521 2.754 -9.301 -1.620 1.00 0.00 C ATOM 1176 O PHE A 521 1.593 -9.644 -1.401 1.00 0.00 O ATOM 1177 CB PHE A 521 3.251 -7.122 -2.745 1.00 0.00 C ATOM 1178 CG PHE A 521 1.942 -7.123 -3.482 1.00 0.00 C ATOM 1179 CD1 PHE A 521 0.957 -6.200 -3.172 1.00 0.00 C ATOM 1180 CD2 PHE A 521 1.697 -8.048 -4.485 1.00 0.00 C ATOM 1181 CE1 PHE A 521 -0.249 -6.198 -3.849 1.00 0.00 C ATOM 1182 CE2 PHE A 521 0.494 -8.050 -5.165 1.00 0.00 C ATOM 1183 CZ PHE A 521 -0.481 -7.125 -4.846 1.00 0.00 C ATOM 0 H PHE A 521 5.091 -7.032 -1.046 1.00 0.00 H new ATOM 0 HA PHE A 521 2.471 -7.365 -0.757 1.00 0.00 H new ATOM 0 HB2 PHE A 521 3.561 -6.091 -2.573 1.00 0.00 H new ATOM 0 HB3 PHE A 521 4.013 -7.584 -3.373 1.00 0.00 H new ATOM 0 HD1 PHE A 521 1.133 -5.473 -2.393 1.00 0.00 H new ATOM 0 HD2 PHE A 521 2.455 -8.775 -4.738 1.00 0.00 H new ATOM 0 HE1 PHE A 521 -1.009 -5.472 -3.598 1.00 0.00 H new ATOM 0 HE2 PHE A 521 0.316 -8.775 -5.946 1.00 0.00 H new ATOM 0 HZ PHE A 521 -1.423 -7.127 -5.375 1.00 0.00 H new ATOM 1193 N ASN A 522 3.687 -10.142 -2.053 1.00 0.00 N ATOM 1194 CA ASN A 522 3.393 -11.549 -2.301 1.00 0.00 C ATOM 1195 C ASN A 522 3.065 -12.273 -0.998 1.00 0.00 C ATOM 1196 O ASN A 522 1.966 -12.799 -0.829 1.00 0.00 O ATOM 1197 CB ASN A 522 4.580 -12.226 -2.989 1.00 0.00 C ATOM 1198 CG ASN A 522 4.525 -12.095 -4.499 1.00 0.00 C ATOM 1199 OD1 ASN A 522 4.073 -13.004 -5.195 1.00 0.00 O ATOM 1200 ND2 ASN A 522 4.985 -10.960 -5.011 1.00 0.00 N ATOM 0 H ASN A 522 4.653 -9.874 -2.240 1.00 0.00 H new ATOM 0 HA ASN A 522 2.523 -11.603 -2.956 1.00 0.00 H new ATOM 0 HB2 ASN A 522 5.508 -11.787 -2.623 1.00 0.00 H new ATOM 0 HB3 ASN A 522 4.599 -13.282 -2.719 1.00 0.00 H new ATOM 0 HD21 ASN A 522 4.973 -10.814 -6.020 1.00 0.00 H new ATOM 0 HD22 ASN A 522 5.351 -10.234 -4.395 1.00 0.00 H new ATOM 1207 N ALA A 523 4.027 -12.295 -0.081 1.00 0.00 N ATOM 1208 CA ALA A 523 3.839 -12.951 1.207 1.00 0.00 C ATOM 1209 C ALA A 523 2.597 -12.424 1.916 1.00 0.00 C ATOM 1210 O ALA A 523 1.697 -13.190 2.265 1.00 0.00 O ATOM 1211 CB ALA A 523 5.070 -12.760 2.081 1.00 0.00 C ATOM 0 H ALA A 523 4.944 -11.866 -0.206 1.00 0.00 H new ATOM 0 HA ALA A 523 3.697 -14.017 1.027 1.00 0.00 H new ATOM 0 HB1 ALA A 523 4.916 -13.255 3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 523 5.939 -13.192 1.585 1.00 0.00 H new ATOM 0 HB3 ALA A 523 5.238 -11.696 2.245 1.00 0.00 H new ATOM 1217 N LEU A 524 2.553 -11.114 2.127 1.00 0.00 N ATOM 1218 CA LEU A 524 1.420 -10.484 2.796 1.00 0.00 C ATOM 1219 C LEU A 524 0.102 -10.919 2.162 1.00 0.00 C ATOM 1220 O LEU A 524 -0.798 -11.403 2.848 1.00 0.00 O ATOM 1221 CB LEU A 524 1.549 -8.961 2.736 1.00 0.00 C ATOM 1222 CG LEU A 524 2.340 -8.310 3.871 1.00 0.00 C ATOM 1223 CD1 LEU A 524 1.550 -8.359 5.170 1.00 0.00 C ATOM 1224 CD2 LEU A 524 3.690 -8.992 4.040 1.00 0.00 C ATOM 0 H LEU A 524 3.289 -10.467 1.845 1.00 0.00 H new ATOM 0 HA LEU A 524 1.423 -10.802 3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 524 2.021 -8.693 1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 524 0.547 -8.532 2.725 1.00 0.00 H new ATOM 0 HG LEU A 524 2.513 -7.265 3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 524 2.129 -7.891 5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 524 0.609 -7.824 5.044 1.00 0.00 H new ATOM 0 HD13 LEU A 524 1.345 -9.397 5.432 1.00 0.00 H new ATOM 0 HD21 LEU A 524 4.239 -8.516 4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 524 3.539 -10.046 4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 524 4.261 -8.904 3.115 1.00 0.00 H new ATOM 1236 N CYS A 525 -0.002 -10.744 0.849 1.00 0.00 N ATOM 1237 CA CYS A 525 -1.209 -11.120 0.121 1.00 0.00 C ATOM 1238 C CYS A 525 -1.582 -12.573 0.400 1.00 0.00 C ATOM 1239 O CYS A 525 -2.761 -12.921 0.462 1.00 0.00 O ATOM 1240 CB CYS A 525 -1.010 -10.912 -1.381 1.00 0.00 C ATOM 1241 SG CYS A 525 -2.273 -11.697 -2.409 1.00 0.00 S ATOM 0 H CYS A 525 0.734 -10.344 0.267 1.00 0.00 H new ATOM 0 HA CYS A 525 -2.024 -10.482 0.464 1.00 0.00 H new ATOM 0 HB2 CYS A 525 -1.000 -9.842 -1.590 1.00 0.00 H new ATOM 0 HB3 CYS A 525 -0.032 -11.302 -1.664 1.00 0.00 H new ATOM 0 HG CYS A 525 -3.074 -12.392 -1.657 1.00 0.00 H new ATOM 1247 N HIS A 526 -0.569 -13.417 0.566 1.00 0.00 N ATOM 1248 CA HIS A 526 -0.790 -14.833 0.837 1.00 0.00 C ATOM 1249 C HIS A 526 -1.894 -15.021 1.874 1.00 0.00 C ATOM 1250 O HIS A 526 -2.939 -15.603 1.583 1.00 0.00 O ATOM 1251 CB HIS A 526 0.502 -15.488 1.326 1.00 0.00 C ATOM 1252 CG HIS A 526 0.460 -16.985 1.303 1.00 0.00 C ATOM 1253 ND1 HIS A 526 1.117 -17.771 2.227 1.00 0.00 N ATOM 1254 CD2 HIS A 526 -0.167 -17.841 0.462 1.00 0.00 C ATOM 1255 CE1 HIS A 526 0.897 -19.045 1.954 1.00 0.00 C ATOM 1256 NE2 HIS A 526 0.121 -19.114 0.887 1.00 0.00 N ATOM 0 H HIS A 526 0.413 -13.145 0.518 1.00 0.00 H new ATOM 0 HA HIS A 526 -1.102 -15.311 -0.091 1.00 0.00 H new ATOM 0 HB2 HIS A 526 1.330 -15.146 0.705 1.00 0.00 H new ATOM 0 HB3 HIS A 526 0.707 -15.154 2.343 1.00 0.00 H new ATOM 0 HD2 HIS A 526 -0.780 -17.572 -0.386 1.00 0.00 H new ATOM 0 HE1 HIS A 526 1.285 -19.886 2.509 1.00 0.00 H new ATOM 0 HE2 HIS A 526 -0.210 -19.974 0.450 1.00 0.00 H new ATOM 1264 N SER A 527 -1.653 -14.527 3.084 1.00 0.00 N ATOM 1265 CA SER A 527 -2.625 -14.645 4.165 1.00 0.00 C ATOM 1266 C SER A 527 -2.203 -13.807 5.368 1.00 0.00 C ATOM 1267 O SER A 527 -1.286 -14.172 6.105 1.00 0.00 O ATOM 1268 CB SER A 527 -2.782 -16.109 4.580 1.00 0.00 C ATOM 1269 OG SER A 527 -1.579 -16.615 5.132 1.00 0.00 O ATOM 0 H SER A 527 -0.793 -14.041 3.341 1.00 0.00 H new ATOM 0 HA SER A 527 -3.583 -14.273 3.802 1.00 0.00 H new ATOM 0 HB2 SER A 527 -3.587 -16.199 5.310 1.00 0.00 H new ATOM 0 HB3 SER A 527 -3.068 -16.707 3.715 1.00 0.00 H new ATOM 0 HG SER A 527 -1.133 -15.910 5.646 1.00 0.00 H new ATOM 1275 N THR A 528 -2.880 -12.679 5.562 1.00 0.00 N ATOM 1276 CA THR A 528 -2.576 -11.787 6.674 1.00 0.00 C ATOM 1277 C THR A 528 -3.808 -11.550 7.540 1.00 0.00 C ATOM 1278 O THR A 528 -4.656 -10.717 7.218 1.00 0.00 O ATOM 1279 CB THR A 528 -2.044 -10.430 6.176 1.00 0.00 C ATOM 1280 OG1 THR A 528 -0.987 -10.634 5.233 1.00 0.00 O ATOM 1281 CG2 THR A 528 -1.539 -9.587 7.338 1.00 0.00 C ATOM 0 H THR A 528 -3.642 -12.362 4.963 1.00 0.00 H new ATOM 0 HA THR A 528 -1.804 -12.275 7.270 1.00 0.00 H new ATOM 0 HB THR A 528 -2.864 -9.899 5.692 1.00 0.00 H new ATOM 0 HG1 THR A 528 -1.363 -10.939 4.381 1.00 0.00 H new ATOM 0 HG21 THR A 528 -1.168 -8.634 6.962 1.00 0.00 H new ATOM 0 HG22 THR A 528 -2.354 -9.408 8.039 1.00 0.00 H new ATOM 0 HG23 THR A 528 -0.732 -10.115 7.847 1.00 0.00 H new ATOM 1289 N HIS A 529 -3.901 -12.287 8.642 1.00 0.00 N ATOM 1290 CA HIS A 529 -5.029 -12.156 9.557 1.00 0.00 C ATOM 1291 C HIS A 529 -4.706 -11.177 10.682 1.00 0.00 C ATOM 1292 O HIS A 529 -3.749 -11.372 11.433 1.00 0.00 O ATOM 1293 CB HIS A 529 -5.400 -13.519 10.142 1.00 0.00 C ATOM 1294 CG HIS A 529 -5.887 -14.498 9.119 1.00 0.00 C ATOM 1295 ND1 HIS A 529 -5.476 -14.478 7.803 1.00 0.00 N ATOM 1296 CD2 HIS A 529 -6.755 -15.531 9.224 1.00 0.00 C ATOM 1297 CE1 HIS A 529 -6.071 -15.455 7.143 1.00 0.00 C ATOM 1298 NE2 HIS A 529 -6.853 -16.110 7.983 1.00 0.00 N ATOM 0 H HIS A 529 -3.209 -12.981 8.923 1.00 0.00 H new ATOM 0 HA HIS A 529 -5.878 -11.768 8.994 1.00 0.00 H new ATOM 0 HB2 HIS A 529 -4.530 -13.937 10.647 1.00 0.00 H new ATOM 0 HB3 HIS A 529 -6.173 -13.382 10.899 1.00 0.00 H new ATOM 0 HD2 HIS A 529 -7.274 -15.842 10.118 1.00 0.00 H new ATOM 0 HE1 HIS A 529 -5.941 -15.680 6.095 1.00 0.00 H new ATOM 0 HE2 HIS A 529 -7.434 -16.914 7.748 1.00 0.00 H new ATOM 1306 N LEU A 530 -5.509 -10.124 10.792 1.00 0.00 N ATOM 1307 CA LEU A 530 -5.308 -9.114 11.825 1.00 0.00 C ATOM 1308 C LEU A 530 -6.609 -8.829 12.568 1.00 0.00 C ATOM 1309 O LEU A 530 -7.578 -8.345 11.982 1.00 0.00 O ATOM 1310 CB LEU A 530 -4.767 -7.824 11.206 1.00 0.00 C ATOM 1311 CG LEU A 530 -4.070 -6.860 12.166 1.00 0.00 C ATOM 1312 CD1 LEU A 530 -2.737 -7.433 12.624 1.00 0.00 C ATOM 1313 CD2 LEU A 530 -3.870 -5.502 11.508 1.00 0.00 C ATOM 0 H LEU A 530 -6.305 -9.948 10.179 1.00 0.00 H new ATOM 0 HA LEU A 530 -4.581 -9.500 12.539 1.00 0.00 H new ATOM 0 HB2 LEU A 530 -4.064 -8.090 10.417 1.00 0.00 H new ATOM 0 HB3 LEU A 530 -5.595 -7.297 10.731 1.00 0.00 H new ATOM 0 HG LEU A 530 -4.706 -6.727 13.041 1.00 0.00 H new ATOM 0 HD11 LEU A 530 -2.255 -6.733 13.307 1.00 0.00 H new ATOM 0 HD12 LEU A 530 -2.905 -8.381 13.135 1.00 0.00 H new ATOM 0 HD13 LEU A 530 -2.095 -7.596 11.759 1.00 0.00 H new ATOM 0 HD21 LEU A 530 -3.372 -4.829 12.206 1.00 0.00 H new ATOM 0 HD22 LEU A 530 -3.256 -5.617 10.615 1.00 0.00 H new ATOM 0 HD23 LEU A 530 -4.839 -5.086 11.231 1.00 0.00 H new ATOM 1325 N TYR A 531 -6.623 -9.129 13.862 1.00 0.00 N ATOM 1326 CA TYR A 531 -7.806 -8.905 14.686 1.00 0.00 C ATOM 1327 C TYR A 531 -8.980 -9.745 14.193 1.00 0.00 C ATOM 1328 O TYR A 531 -10.137 -9.341 14.303 1.00 0.00 O ATOM 1329 CB TYR A 531 -8.185 -7.423 14.678 1.00 0.00 C ATOM 1330 CG TYR A 531 -7.147 -6.529 15.316 1.00 0.00 C ATOM 1331 CD1 TYR A 531 -6.963 -6.517 16.693 1.00 0.00 C ATOM 1332 CD2 TYR A 531 -6.349 -5.695 14.541 1.00 0.00 C ATOM 1333 CE1 TYR A 531 -6.016 -5.701 17.280 1.00 0.00 C ATOM 1334 CE2 TYR A 531 -5.398 -4.877 15.120 1.00 0.00 C ATOM 1335 CZ TYR A 531 -5.236 -4.883 16.490 1.00 0.00 C ATOM 1336 OH TYR A 531 -4.290 -4.069 17.071 1.00 0.00 O ATOM 0 H TYR A 531 -5.829 -9.528 14.363 1.00 0.00 H new ATOM 0 HA TYR A 531 -7.570 -9.207 15.706 1.00 0.00 H new ATOM 0 HB2 TYR A 531 -8.344 -7.103 13.648 1.00 0.00 H new ATOM 0 HB3 TYR A 531 -9.133 -7.296 15.201 1.00 0.00 H new ATOM 0 HD1 TYR A 531 -7.571 -7.157 17.315 1.00 0.00 H new ATOM 0 HD2 TYR A 531 -6.475 -5.686 13.468 1.00 0.00 H new ATOM 0 HE1 TYR A 531 -5.887 -5.703 18.352 1.00 0.00 H new ATOM 0 HE2 TYR A 531 -4.785 -4.236 14.504 1.00 0.00 H new ATOM 0 HH TYR A 531 -3.826 -3.558 16.375 1.00 0.00 H new ATOM 1346 N GLY A 532 -8.673 -10.919 13.649 1.00 0.00 N ATOM 1347 CA GLY A 532 -9.712 -11.799 13.147 1.00 0.00 C ATOM 1348 C GLY A 532 -10.355 -11.273 11.879 1.00 0.00 C ATOM 1349 O GLY A 532 -11.537 -11.511 11.630 1.00 0.00 O ATOM 0 H GLY A 532 -7.723 -11.276 13.547 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -9.287 -12.784 12.954 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -10.477 -11.926 13.913 1.00 0.00 H new ATOM 1353 N ARG A 533 -9.576 -10.555 11.077 1.00 0.00 N ATOM 1354 CA ARG A 533 -10.078 -9.992 9.829 1.00 0.00 C ATOM 1355 C ARG A 533 -9.058 -10.162 8.707 1.00 0.00 C ATOM 1356 O ARG A 533 -7.900 -9.766 8.842 1.00 0.00 O ATOM 1357 CB ARG A 533 -10.409 -8.509 10.011 1.00 0.00 C ATOM 1358 CG ARG A 533 -11.567 -8.256 10.962 1.00 0.00 C ATOM 1359 CD ARG A 533 -12.226 -6.913 10.693 1.00 0.00 C ATOM 1360 NE ARG A 533 -12.962 -6.421 11.854 1.00 0.00 N ATOM 1361 CZ ARG A 533 -13.933 -5.518 11.781 1.00 0.00 C ATOM 1362 NH1 ARG A 533 -14.284 -5.011 10.607 1.00 0.00 N ATOM 1363 NH2 ARG A 533 -14.556 -5.120 12.883 1.00 0.00 N ATOM 0 H ARG A 533 -8.596 -10.349 11.269 1.00 0.00 H new ATOM 0 HA ARG A 533 -10.986 -10.530 9.556 1.00 0.00 H new ATOM 0 HB2 ARG A 533 -9.525 -7.991 10.383 1.00 0.00 H new ATOM 0 HB3 ARG A 533 -10.647 -8.077 9.039 1.00 0.00 H new ATOM 0 HG2 ARG A 533 -12.305 -9.052 10.858 1.00 0.00 H new ATOM 0 HG3 ARG A 533 -11.208 -8.287 11.991 1.00 0.00 H new ATOM 0 HD2 ARG A 533 -11.464 -6.186 10.412 1.00 0.00 H new ATOM 0 HD3 ARG A 533 -12.906 -7.006 9.846 1.00 0.00 H new ATOM 0 HE ARG A 533 -12.717 -6.791 12.772 1.00 0.00 H new ATOM 0 HH11 ARG A 533 -13.808 -5.314 9.758 1.00 0.00 H new ATOM 0 HH12 ARG A 533 -15.030 -4.318 10.553 1.00 0.00 H new ATOM 0 HH21 ARG A 533 -14.289 -5.508 13.788 1.00 0.00 H new ATOM 0 HH22 ARG A 533 -15.302 -4.426 12.825 1.00 0.00 H new ATOM 1377 N ARG A 534 -9.497 -10.754 7.601 1.00 0.00 N ATOM 1378 CA ARG A 534 -8.622 -10.978 6.456 1.00 0.00 C ATOM 1379 C ARG A 534 -8.382 -9.679 5.693 1.00 0.00 C ATOM 1380 O ARG A 534 -9.326 -9.016 5.261 1.00 0.00 O ATOM 1381 CB ARG A 534 -9.228 -12.027 5.522 1.00 0.00 C ATOM 1382 CG ARG A 534 -8.367 -12.330 4.307 1.00 0.00 C ATOM 1383 CD ARG A 534 -6.964 -12.755 4.710 1.00 0.00 C ATOM 1384 NE ARG A 534 -6.282 -13.478 3.641 1.00 0.00 N ATOM 1385 CZ ARG A 534 -6.468 -14.770 3.393 1.00 0.00 C ATOM 1386 NH1 ARG A 534 -7.310 -15.476 4.135 1.00 0.00 N ATOM 1387 NH2 ARG A 534 -5.810 -15.358 2.401 1.00 0.00 N ATOM 0 H ARG A 534 -10.453 -11.087 7.473 1.00 0.00 H new ATOM 0 HA ARG A 534 -7.664 -11.343 6.828 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -9.390 -12.949 6.081 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -10.206 -11.681 5.187 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -8.832 -13.120 3.718 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -8.312 -11.448 3.670 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -6.382 -11.874 4.980 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -7.017 -13.386 5.597 1.00 0.00 H new ATOM 0 HE ARG A 534 -5.627 -12.963 3.052 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -7.817 -15.027 4.898 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -7.451 -16.468 3.943 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -5.161 -14.818 1.829 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -5.953 -16.350 2.211 1.00 0.00 H new ATOM 1401 N LEU A 535 -7.113 -9.321 5.529 1.00 0.00 N ATOM 1402 CA LEU A 535 -6.748 -8.101 4.818 1.00 0.00 C ATOM 1403 C LEU A 535 -6.537 -8.378 3.333 1.00 0.00 C ATOM 1404 O LEU A 535 -6.193 -9.494 2.942 1.00 0.00 O ATOM 1405 CB LEU A 535 -5.479 -7.495 5.421 1.00 0.00 C ATOM 1406 CG LEU A 535 -5.557 -7.109 6.899 1.00 0.00 C ATOM 1407 CD1 LEU A 535 -4.171 -6.795 7.442 1.00 0.00 C ATOM 1408 CD2 LEU A 535 -6.489 -5.921 7.091 1.00 0.00 C ATOM 0 H LEU A 535 -6.320 -9.858 5.879 1.00 0.00 H new ATOM 0 HA LEU A 535 -7.568 -7.390 4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 535 -4.664 -8.208 5.295 1.00 0.00 H new ATOM 0 HB3 LEU A 535 -5.217 -6.606 4.847 1.00 0.00 H new ATOM 0 HG LEU A 535 -5.960 -7.955 7.456 1.00 0.00 H new ATOM 0 HD11 LEU A 535 -4.246 -6.522 8.495 1.00 0.00 H new ATOM 0 HD12 LEU A 535 -3.532 -7.672 7.339 1.00 0.00 H new ATOM 0 HD13 LEU A 535 -3.740 -5.965 6.882 1.00 0.00 H new ATOM 0 HD21 LEU A 535 -6.533 -5.660 8.148 1.00 0.00 H new ATOM 0 HD22 LEU A 535 -6.115 -5.070 6.522 1.00 0.00 H new ATOM 0 HD23 LEU A 535 -7.488 -6.182 6.740 1.00 0.00 H new ATOM 1420 N VAL A 536 -6.742 -7.355 2.510 1.00 0.00 N ATOM 1421 CA VAL A 536 -6.570 -7.488 1.068 1.00 0.00 C ATOM 1422 C VAL A 536 -5.422 -6.618 0.569 1.00 0.00 C ATOM 1423 O VAL A 536 -5.266 -5.472 0.994 1.00 0.00 O ATOM 1424 CB VAL A 536 -7.856 -7.105 0.312 1.00 0.00 C ATOM 1425 CG1 VAL A 536 -7.676 -7.306 -1.185 1.00 0.00 C ATOM 1426 CG2 VAL A 536 -9.038 -7.912 0.828 1.00 0.00 C ATOM 0 H VAL A 536 -7.027 -6.425 2.817 1.00 0.00 H new ATOM 0 HA VAL A 536 -6.340 -8.535 0.872 1.00 0.00 H new ATOM 0 HB VAL A 536 -8.060 -6.049 0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 536 -8.595 -7.030 -1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 536 -6.858 -6.680 -1.540 1.00 0.00 H new ATOM 0 HG13 VAL A 536 -7.446 -8.352 -1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 536 -9.938 -7.628 0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 536 -8.845 -8.975 0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -9.179 -7.712 1.890 1.00 0.00 H new ATOM 1436 N LEU A 537 -4.620 -7.168 -0.336 1.00 0.00 N ATOM 1437 CA LEU A 537 -3.485 -6.442 -0.895 1.00 0.00 C ATOM 1438 C LEU A 537 -3.623 -6.297 -2.407 1.00 0.00 C ATOM 1439 O LEU A 537 -3.872 -7.273 -3.114 1.00 0.00 O ATOM 1440 CB LEU A 537 -2.178 -7.162 -0.558 1.00 0.00 C ATOM 1441 CG LEU A 537 -1.510 -6.757 0.757 1.00 0.00 C ATOM 1442 CD1 LEU A 537 -2.025 -7.614 1.903 1.00 0.00 C ATOM 1443 CD2 LEU A 537 0.003 -6.870 0.643 1.00 0.00 C ATOM 0 H LEU A 537 -4.735 -8.115 -0.698 1.00 0.00 H new ATOM 0 HA LEU A 537 -3.469 -5.446 -0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -2.374 -8.234 -0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -1.471 -6.990 -1.370 1.00 0.00 H new ATOM 0 HG LEU A 537 -1.762 -5.717 0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 537 -1.539 -7.312 2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 537 -3.103 -7.483 1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -1.803 -8.662 1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 537 0.462 -6.578 1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 537 0.274 -7.900 0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 537 0.358 -6.213 -0.151 1.00 0.00 H new ATOM 1455 N GLU A 538 -3.457 -5.072 -2.897 1.00 0.00 N ATOM 1456 CA GLU A 538 -3.562 -4.800 -4.325 1.00 0.00 C ATOM 1457 C GLU A 538 -2.613 -3.677 -4.737 1.00 0.00 C ATOM 1458 O GLU A 538 -2.381 -2.738 -3.976 1.00 0.00 O ATOM 1459 CB GLU A 538 -5.000 -4.428 -4.692 1.00 0.00 C ATOM 1460 CG GLU A 538 -5.986 -5.572 -4.528 1.00 0.00 C ATOM 1461 CD GLU A 538 -7.428 -5.126 -4.672 1.00 0.00 C ATOM 1462 OE1 GLU A 538 -7.837 -4.199 -3.942 1.00 0.00 O ATOM 1463 OE2 GLU A 538 -8.146 -5.703 -5.514 1.00 0.00 O ATOM 0 H GLU A 538 -3.249 -4.253 -2.326 1.00 0.00 H new ATOM 0 HA GLU A 538 -3.280 -5.705 -4.862 1.00 0.00 H new ATOM 0 HB2 GLU A 538 -5.320 -3.592 -4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 538 -5.025 -4.084 -5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 538 -5.772 -6.340 -5.271 1.00 0.00 H new ATOM 0 HG3 GLU A 538 -5.847 -6.028 -3.548 1.00 0.00 H new ATOM 1470 N TRP A 539 -2.070 -3.783 -5.944 1.00 0.00 N ATOM 1471 CA TRP A 539 -1.146 -2.778 -6.456 1.00 0.00 C ATOM 1472 C TRP A 539 -1.874 -1.472 -6.757 1.00 0.00 C ATOM 1473 O TRP A 539 -2.669 -1.396 -7.694 1.00 0.00 O ATOM 1474 CB TRP A 539 -0.451 -3.290 -7.718 1.00 0.00 C ATOM 1475 CG TRP A 539 0.394 -4.505 -7.479 1.00 0.00 C ATOM 1476 CD1 TRP A 539 0.043 -5.805 -7.708 1.00 0.00 C ATOM 1477 CD2 TRP A 539 1.729 -4.533 -6.963 1.00 0.00 C ATOM 1478 NE1 TRP A 539 1.080 -6.639 -7.365 1.00 0.00 N ATOM 1479 CE2 TRP A 539 2.126 -5.883 -6.907 1.00 0.00 C ATOM 1480 CE3 TRP A 539 2.629 -3.548 -6.546 1.00 0.00 C ATOM 1481 CZ2 TRP A 539 3.382 -6.271 -6.448 1.00 0.00 C ATOM 1482 CZ3 TRP A 539 3.875 -3.935 -6.091 1.00 0.00 C ATOM 1483 CH2 TRP A 539 4.243 -5.286 -6.045 1.00 0.00 C ATOM 0 H TRP A 539 -2.253 -4.554 -6.586 1.00 0.00 H new ATOM 0 HA TRP A 539 -0.396 -2.586 -5.689 1.00 0.00 H new ATOM 0 HB2 TRP A 539 -1.205 -3.523 -8.470 1.00 0.00 H new ATOM 0 HB3 TRP A 539 0.174 -2.496 -8.128 1.00 0.00 H new ATOM 0 HD1 TRP A 539 -0.909 -6.130 -8.101 1.00 0.00 H new ATOM 0 HE1 TRP A 539 1.072 -7.656 -7.439 1.00 0.00 H new ATOM 0 HE3 TRP A 539 2.355 -2.504 -6.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 539 3.667 -7.312 -6.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 539 4.578 -3.183 -5.765 1.00 0.00 H new ATOM 0 HH2 TRP A 539 5.225 -5.556 -5.685 1.00 0.00 H new