USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=13 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 Set 1.1: A 522 ASN : amide:sc= -3.06! C(o=-7.6!,f=-10!) USER MOD Set 1.2: A 526 HIS : no HD1:sc= -4.55! C(o=-7.6!,f=-16!) USER MOD Single : A 462 SER OG : rot 29:sc= -0.189 USER MOD Single : A 463 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.208) USER MOD Single : A 468 ASN : amide:sc= 0.986 K(o=0.99,f=-0.63) USER MOD Single : A 472 GLN : amide:sc= -0.58 K(o=-0.58,f=-1.6) USER MOD Single : A 474 ASN : amide:sc= -0.0107 K(o=-0.011,f=-0.77) USER MOD Single : A 475 GLN : amide:sc= -1.36! C(o=-1.4!,f=-2.3!) USER MOD Single : A 483 SER OG : rot 180:sc= 0 USER MOD Single : A 484 THR OG1 : rot 75:sc= 0.614 USER MOD Single : A 489 LYS NZ :NH3+ -142:sc= -0.475 (180deg=-1.39!) USER MOD Single : A 490 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 THR OG1 : rot 180:sc= -0.85 USER MOD Single : A 514 LYS NZ :NH3+ 151:sc= -1.09 (180deg=-2.79!) USER MOD Single : A 515 GLN : amide:sc= -0.0739 K(o=-0.074,f=-2.1!) USER MOD Single : A 518 LYS NZ :NH3+ -141:sc= -0.392 (180deg=-1.36!) USER MOD Single : A 519 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 525 CYS SG : rot 180:sc= 0 USER MOD Single : A 527 SER OG : rot 180:sc= 0 USER MOD Single : A 528 THR OG1 : rot 59:sc= 0.636 USER MOD Single : A 529 HIS : no HD1:sc= -0.719 X(o=-0.72,f=-0.87) USER MOD Single : A 531 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N SER A 462 5.739 0.507 -7.444 1.00 0.00 N ATOM 203 CA SER A 462 5.732 -0.205 -6.172 1.00 0.00 C ATOM 204 C SER A 462 4.822 0.492 -5.164 1.00 0.00 C ATOM 205 O SER A 462 5.239 1.421 -4.473 1.00 0.00 O ATOM 206 CB SER A 462 7.152 -0.304 -5.611 1.00 0.00 C ATOM 207 OG SER A 462 7.965 -1.131 -6.424 1.00 0.00 O ATOM 0 HA SER A 462 5.348 -1.210 -6.348 1.00 0.00 H new ATOM 0 HB2 SER A 462 7.591 0.692 -5.546 1.00 0.00 H new ATOM 0 HB3 SER A 462 7.119 -0.704 -4.598 1.00 0.00 H new ATOM 0 HG SER A 462 7.648 -1.093 -7.350 1.00 0.00 H new ATOM 213 N LYS A 463 3.577 0.035 -5.087 1.00 0.00 N ATOM 214 CA LYS A 463 2.606 0.611 -4.164 1.00 0.00 C ATOM 215 C LYS A 463 1.732 -0.475 -3.546 1.00 0.00 C ATOM 216 O LYS A 463 1.014 -1.183 -4.252 1.00 0.00 O ATOM 217 CB LYS A 463 1.730 1.636 -4.888 1.00 0.00 C ATOM 218 CG LYS A 463 2.295 3.046 -4.863 1.00 0.00 C ATOM 219 CD LYS A 463 1.869 3.795 -3.611 1.00 0.00 C ATOM 220 CE LYS A 463 1.775 5.292 -3.863 1.00 0.00 C ATOM 221 NZ LYS A 463 2.983 5.814 -4.560 1.00 0.00 N ATOM 0 H LYS A 463 3.216 -0.733 -5.653 1.00 0.00 H new ATOM 0 HA LYS A 463 3.153 1.110 -3.364 1.00 0.00 H new ATOM 0 HB2 LYS A 463 1.601 1.324 -5.924 1.00 0.00 H new ATOM 0 HB3 LYS A 463 0.740 1.642 -4.432 1.00 0.00 H new ATOM 0 HG2 LYS A 463 3.383 3.004 -4.910 1.00 0.00 H new ATOM 0 HG3 LYS A 463 1.958 3.590 -5.746 1.00 0.00 H new ATOM 0 HD2 LYS A 463 0.903 3.420 -3.272 1.00 0.00 H new ATOM 0 HD3 LYS A 463 2.583 3.604 -2.810 1.00 0.00 H new ATOM 0 HE2 LYS A 463 0.890 5.504 -4.462 1.00 0.00 H new ATOM 0 HE3 LYS A 463 1.650 5.813 -2.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 2.977 6.854 -4.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 3.838 5.460 -4.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 2.979 5.493 -5.549 1.00 0.00 H new ATOM 235 N ILE A 464 1.797 -0.599 -2.224 1.00 0.00 N ATOM 236 CA ILE A 464 1.009 -1.597 -1.512 1.00 0.00 C ATOM 237 C ILE A 464 -0.203 -0.962 -0.838 1.00 0.00 C ATOM 238 O ILE A 464 -0.066 -0.202 0.122 1.00 0.00 O ATOM 239 CB ILE A 464 1.851 -2.325 -0.448 1.00 0.00 C ATOM 240 CG1 ILE A 464 2.987 -3.106 -1.112 1.00 0.00 C ATOM 241 CG2 ILE A 464 0.974 -3.255 0.377 1.00 0.00 C ATOM 242 CD1 ILE A 464 3.811 -3.919 -0.139 1.00 0.00 C ATOM 0 H ILE A 464 2.387 -0.021 -1.625 1.00 0.00 H new ATOM 0 HA ILE A 464 0.672 -2.321 -2.254 1.00 0.00 H new ATOM 0 HB ILE A 464 2.287 -1.582 0.219 1.00 0.00 H new ATOM 0 HG12 ILE A 464 2.567 -3.773 -1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 464 3.641 -2.407 -1.634 1.00 0.00 H new ATOM 0 HG21 ILE A 464 1.584 -3.762 1.125 1.00 0.00 H new ATOM 0 HG22 ILE A 464 0.197 -2.675 0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 464 0.512 -3.995 -0.277 1.00 0.00 H new ATOM 0 HD11 ILE A 464 4.597 -4.446 -0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 464 4.261 -3.256 0.600 1.00 0.00 H new ATOM 0 HD13 ILE A 464 3.170 -4.642 0.365 1.00 0.00 H new ATOM 254 N LEU A 465 -1.389 -1.280 -1.345 1.00 0.00 N ATOM 255 CA LEU A 465 -2.627 -0.742 -0.790 1.00 0.00 C ATOM 256 C LEU A 465 -3.411 -1.826 -0.057 1.00 0.00 C ATOM 257 O LEU A 465 -4.103 -2.633 -0.676 1.00 0.00 O ATOM 258 CB LEU A 465 -3.487 -0.139 -1.902 1.00 0.00 C ATOM 259 CG LEU A 465 -4.972 0.034 -1.583 1.00 0.00 C ATOM 260 CD1 LEU A 465 -5.168 1.098 -0.514 1.00 0.00 C ATOM 261 CD2 LEU A 465 -5.750 0.390 -2.841 1.00 0.00 C ATOM 0 H LEU A 465 -1.520 -1.907 -2.139 1.00 0.00 H new ATOM 0 HA LEU A 465 -2.367 0.039 -0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 465 -3.076 0.836 -2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 465 -3.397 -0.770 -2.786 1.00 0.00 H new ATOM 0 HG LEU A 465 -5.354 -0.912 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 465 -6.231 1.207 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 465 -4.644 0.802 0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 465 -4.770 2.048 -0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 465 -6.805 0.509 -2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 465 -5.366 1.323 -3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 465 -5.637 -0.407 -3.576 1.00 0.00 H new ATOM 273 N VAL A 466 -3.299 -1.836 1.268 1.00 0.00 N ATOM 274 CA VAL A 466 -3.999 -2.817 2.087 1.00 0.00 C ATOM 275 C VAL A 466 -5.423 -2.365 2.389 1.00 0.00 C ATOM 276 O VAL A 466 -5.639 -1.277 2.924 1.00 0.00 O ATOM 277 CB VAL A 466 -3.260 -3.071 3.414 1.00 0.00 C ATOM 278 CG1 VAL A 466 -2.892 -1.754 4.081 1.00 0.00 C ATOM 279 CG2 VAL A 466 -4.109 -3.928 4.341 1.00 0.00 C ATOM 0 H VAL A 466 -2.730 -1.175 1.796 1.00 0.00 H new ATOM 0 HA VAL A 466 -4.029 -3.744 1.514 1.00 0.00 H new ATOM 0 HB VAL A 466 -2.338 -3.612 3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -2.371 -1.954 5.017 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -2.243 -1.180 3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -3.798 -1.184 4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -3.571 -4.098 5.274 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -5.048 -3.416 4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -4.317 -4.885 3.863 1.00 0.00 H new ATOM 289 N ARG A 467 -6.392 -3.207 2.044 1.00 0.00 N ATOM 290 CA ARG A 467 -7.796 -2.893 2.278 1.00 0.00 C ATOM 291 C ARG A 467 -8.386 -3.806 3.349 1.00 0.00 C ATOM 292 O ARG A 467 -7.752 -4.770 3.775 1.00 0.00 O ATOM 293 CB ARG A 467 -8.594 -3.029 0.980 1.00 0.00 C ATOM 294 CG ARG A 467 -8.622 -1.758 0.147 1.00 0.00 C ATOM 295 CD ARG A 467 -9.870 -1.688 -0.720 1.00 0.00 C ATOM 296 NE ARG A 467 -11.092 -1.697 0.078 1.00 0.00 N ATOM 297 CZ ARG A 467 -12.303 -1.497 -0.429 1.00 0.00 C ATOM 298 NH1 ARG A 467 -12.453 -1.275 -1.728 1.00 0.00 N ATOM 299 NH2 ARG A 467 -13.368 -1.521 0.362 1.00 0.00 N ATOM 0 H ARG A 467 -6.230 -4.112 1.602 1.00 0.00 H new ATOM 0 HA ARG A 467 -7.859 -1.863 2.629 1.00 0.00 H new ATOM 0 HB2 ARG A 467 -8.167 -3.835 0.383 1.00 0.00 H new ATOM 0 HB3 ARG A 467 -9.617 -3.318 1.221 1.00 0.00 H new ATOM 0 HG2 ARG A 467 -8.585 -0.890 0.805 1.00 0.00 H new ATOM 0 HG3 ARG A 467 -7.735 -1.716 -0.486 1.00 0.00 H new ATOM 0 HD2 ARG A 467 -9.840 -0.783 -1.326 1.00 0.00 H new ATOM 0 HD3 ARG A 467 -9.881 -2.533 -1.409 1.00 0.00 H new ATOM 0 HE ARG A 467 -11.011 -1.866 1.081 1.00 0.00 H new ATOM 0 HH11 ARG A 467 -11.637 -1.258 -2.340 1.00 0.00 H new ATOM 0 HH12 ARG A 467 -13.384 -1.122 -2.115 1.00 0.00 H new ATOM 0 HH21 ARG A 467 -13.257 -1.693 1.361 1.00 0.00 H new ATOM 0 HH22 ARG A 467 -14.297 -1.367 -0.029 1.00 0.00 H new ATOM 313 N ASN A 468 -9.605 -3.495 3.778 1.00 0.00 N ATOM 314 CA ASN A 468 -10.281 -4.287 4.800 1.00 0.00 C ATOM 315 C ASN A 468 -9.513 -4.245 6.117 1.00 0.00 C ATOM 316 O ASN A 468 -9.461 -5.234 6.849 1.00 0.00 O ATOM 317 CB ASN A 468 -10.434 -5.736 4.333 1.00 0.00 C ATOM 318 CG ASN A 468 -11.641 -6.418 4.949 1.00 0.00 C ATOM 319 OD1 ASN A 468 -12.717 -5.829 5.047 1.00 0.00 O ATOM 320 ND2 ASN A 468 -11.465 -7.666 5.368 1.00 0.00 N ATOM 0 H ASN A 468 -10.145 -2.701 3.434 1.00 0.00 H new ATOM 0 HA ASN A 468 -11.270 -3.857 4.962 1.00 0.00 H new ATOM 0 HB2 ASN A 468 -10.523 -5.757 3.247 1.00 0.00 H new ATOM 0 HB3 ASN A 468 -9.534 -6.295 4.590 1.00 0.00 H new ATOM 0 HD21 ASN A 468 -12.240 -8.176 5.792 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -10.555 -8.115 5.266 1.00 0.00 H new ATOM 327 N ILE A 469 -8.919 -3.094 6.413 1.00 0.00 N ATOM 328 CA ILE A 469 -8.155 -2.922 7.642 1.00 0.00 C ATOM 329 C ILE A 469 -9.078 -2.801 8.850 1.00 0.00 C ATOM 330 O ILE A 469 -10.029 -2.019 8.860 1.00 0.00 O ATOM 331 CB ILE A 469 -7.251 -1.677 7.575 1.00 0.00 C ATOM 332 CG1 ILE A 469 -6.212 -1.834 6.463 1.00 0.00 C ATOM 333 CG2 ILE A 469 -6.570 -1.443 8.915 1.00 0.00 C ATOM 334 CD1 ILE A 469 -5.353 -0.606 6.261 1.00 0.00 C ATOM 0 H ILE A 469 -8.952 -2.266 5.818 1.00 0.00 H new ATOM 0 HA ILE A 469 -7.530 -3.808 7.751 1.00 0.00 H new ATOM 0 HB ILE A 469 -7.870 -0.809 7.348 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -5.569 -2.683 6.695 1.00 0.00 H new ATOM 0 HG13 ILE A 469 -6.724 -2.067 5.529 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -5.935 -0.560 8.851 1.00 0.00 H new ATOM 0 HG22 ILE A 469 -7.326 -1.291 9.686 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -5.961 -2.310 9.170 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -4.640 -0.789 5.458 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -5.986 0.242 5.998 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -4.813 -0.384 7.182 1.00 0.00 H new ATOM 346 N PRO A 470 -8.792 -3.592 9.895 1.00 0.00 N ATOM 347 CA PRO A 470 -9.583 -3.591 11.129 1.00 0.00 C ATOM 348 C PRO A 470 -9.407 -2.305 11.929 1.00 0.00 C ATOM 349 O PRO A 470 -8.326 -1.716 11.948 1.00 0.00 O ATOM 350 CB PRO A 470 -9.028 -4.785 11.908 1.00 0.00 C ATOM 351 CG PRO A 470 -7.638 -4.956 11.399 1.00 0.00 C ATOM 352 CD PRO A 470 -7.674 -4.548 9.952 1.00 0.00 C ATOM 0 HA PRO A 470 -10.652 -3.656 10.927 1.00 0.00 H new ATOM 0 HB2 PRO A 470 -9.036 -4.596 12.981 1.00 0.00 H new ATOM 0 HB3 PRO A 470 -9.625 -5.681 11.738 1.00 0.00 H new ATOM 0 HG2 PRO A 470 -6.938 -4.338 11.961 1.00 0.00 H new ATOM 0 HG3 PRO A 470 -7.308 -5.989 11.505 1.00 0.00 H new ATOM 0 HD2 PRO A 470 -6.736 -4.088 9.641 1.00 0.00 H new ATOM 0 HD3 PRO A 470 -7.843 -5.403 9.297 1.00 0.00 H new ATOM 360 N PHE A 471 -10.477 -1.873 12.589 1.00 0.00 N ATOM 361 CA PHE A 471 -10.440 -0.655 13.391 1.00 0.00 C ATOM 362 C PHE A 471 -9.416 -0.776 14.516 1.00 0.00 C ATOM 363 O PHE A 471 -9.057 0.216 15.151 1.00 0.00 O ATOM 364 CB PHE A 471 -11.824 -0.362 13.975 1.00 0.00 C ATOM 365 CG PHE A 471 -12.930 -0.439 12.962 1.00 0.00 C ATOM 366 CD1 PHE A 471 -12.826 0.225 11.750 1.00 0.00 C ATOM 367 CD2 PHE A 471 -14.075 -1.176 13.222 1.00 0.00 C ATOM 368 CE1 PHE A 471 -13.842 0.155 10.816 1.00 0.00 C ATOM 369 CE2 PHE A 471 -15.094 -1.249 12.291 1.00 0.00 C ATOM 370 CZ PHE A 471 -14.978 -0.582 11.088 1.00 0.00 C ATOM 0 H PHE A 471 -11.380 -2.348 12.584 1.00 0.00 H new ATOM 0 HA PHE A 471 -10.145 0.169 12.742 1.00 0.00 H new ATOM 0 HB2 PHE A 471 -12.028 -1.070 14.778 1.00 0.00 H new ATOM 0 HB3 PHE A 471 -11.819 0.633 14.420 1.00 0.00 H new ATOM 0 HD1 PHE A 471 -11.941 0.804 11.533 1.00 0.00 H new ATOM 0 HD2 PHE A 471 -14.172 -1.699 14.162 1.00 0.00 H new ATOM 0 HE1 PHE A 471 -13.748 0.676 9.875 1.00 0.00 H new ATOM 0 HE2 PHE A 471 -15.981 -1.828 12.505 1.00 0.00 H new ATOM 0 HZ PHE A 471 -15.774 -0.636 10.361 1.00 0.00 H new ATOM 380 N GLN A 472 -8.951 -1.997 14.757 1.00 0.00 N ATOM 381 CA GLN A 472 -7.970 -2.248 15.806 1.00 0.00 C ATOM 382 C GLN A 472 -6.551 -2.047 15.284 1.00 0.00 C ATOM 383 O GLN A 472 -5.595 -2.006 16.057 1.00 0.00 O ATOM 384 CB GLN A 472 -8.128 -3.667 16.354 1.00 0.00 C ATOM 385 CG GLN A 472 -7.630 -3.828 17.781 1.00 0.00 C ATOM 386 CD GLN A 472 -8.198 -2.781 18.718 1.00 0.00 C ATOM 387 OE1 GLN A 472 -9.285 -2.251 18.490 1.00 0.00 O ATOM 388 NE2 GLN A 472 -7.462 -2.477 19.781 1.00 0.00 N ATOM 0 H GLN A 472 -9.238 -2.828 14.240 1.00 0.00 H new ATOM 0 HA GLN A 472 -8.146 -1.534 16.611 1.00 0.00 H new ATOM 0 HB2 GLN A 472 -9.180 -3.949 16.311 1.00 0.00 H new ATOM 0 HB3 GLN A 472 -7.586 -4.359 15.709 1.00 0.00 H new ATOM 0 HG2 GLN A 472 -7.897 -4.820 18.145 1.00 0.00 H new ATOM 0 HG3 GLN A 472 -6.542 -3.767 17.791 1.00 0.00 H new ATOM 0 HE21 GLN A 472 -6.566 -2.941 19.931 1.00 0.00 H new ATOM 0 HE22 GLN A 472 -7.792 -1.779 20.447 1.00 0.00 H new ATOM 397 N ALA A 473 -6.423 -1.924 13.967 1.00 0.00 N ATOM 398 CA ALA A 473 -5.121 -1.726 13.341 1.00 0.00 C ATOM 399 C ALA A 473 -4.865 -0.249 13.062 1.00 0.00 C ATOM 400 O ALA A 473 -5.652 0.409 12.382 1.00 0.00 O ATOM 401 CB ALA A 473 -5.026 -2.533 12.055 1.00 0.00 C ATOM 0 H ALA A 473 -7.205 -1.958 13.313 1.00 0.00 H new ATOM 0 HA ALA A 473 -4.355 -2.076 14.033 1.00 0.00 H new ATOM 0 HB1 ALA A 473 -4.049 -2.376 11.598 1.00 0.00 H new ATOM 0 HB2 ALA A 473 -5.156 -3.592 12.279 1.00 0.00 H new ATOM 0 HB3 ALA A 473 -5.805 -2.210 11.365 1.00 0.00 H new ATOM 407 N ASN A 474 -3.761 0.266 13.592 1.00 0.00 N ATOM 408 CA ASN A 474 -3.402 1.667 13.400 1.00 0.00 C ATOM 409 C ASN A 474 -2.157 1.795 12.527 1.00 0.00 C ATOM 410 O ASN A 474 -1.500 0.802 12.218 1.00 0.00 O ATOM 411 CB ASN A 474 -3.163 2.344 14.751 1.00 0.00 C ATOM 412 CG ASN A 474 -4.441 2.499 15.554 1.00 0.00 C ATOM 413 OD1 ASN A 474 -5.507 2.765 14.999 1.00 0.00 O ATOM 414 ND2 ASN A 474 -4.338 2.333 16.867 1.00 0.00 N ATOM 0 H ASN A 474 -3.099 -0.265 14.158 1.00 0.00 H new ATOM 0 HA ASN A 474 -4.231 2.162 12.895 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -2.445 1.759 15.326 1.00 0.00 H new ATOM 0 HB3 ASN A 474 -2.718 3.326 14.589 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -5.163 2.425 17.459 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -3.433 2.113 17.284 1.00 0.00 H new ATOM 421 N GLN A 475 -1.841 3.025 12.135 1.00 0.00 N ATOM 422 CA GLN A 475 -0.675 3.283 11.298 1.00 0.00 C ATOM 423 C GLN A 475 0.539 2.508 11.801 1.00 0.00 C ATOM 424 O GLN A 475 1.242 1.863 11.023 1.00 0.00 O ATOM 425 CB GLN A 475 -0.363 4.780 11.268 1.00 0.00 C ATOM 426 CG GLN A 475 -1.582 5.651 11.012 1.00 0.00 C ATOM 427 CD GLN A 475 -2.285 6.061 12.291 1.00 0.00 C ATOM 428 OE1 GLN A 475 -3.412 5.641 12.555 1.00 0.00 O ATOM 429 NE2 GLN A 475 -1.622 6.886 13.093 1.00 0.00 N ATOM 0 H GLN A 475 -2.375 3.858 12.383 1.00 0.00 H new ATOM 0 HA GLN A 475 -0.904 2.947 10.287 1.00 0.00 H new ATOM 0 HB2 GLN A 475 0.086 5.068 12.219 1.00 0.00 H new ATOM 0 HB3 GLN A 475 0.380 4.972 10.494 1.00 0.00 H new ATOM 0 HG2 GLN A 475 -1.277 6.544 10.467 1.00 0.00 H new ATOM 0 HG3 GLN A 475 -2.282 5.111 10.374 1.00 0.00 H new ATOM 0 HE21 GLN A 475 -0.690 7.209 12.834 1.00 0.00 H new ATOM 0 HE22 GLN A 475 -2.045 7.197 13.968 1.00 0.00 H new ATOM 438 N ARG A 476 0.779 2.577 13.106 1.00 0.00 N ATOM 439 CA ARG A 476 1.908 1.883 13.713 1.00 0.00 C ATOM 440 C ARG A 476 1.892 0.400 13.354 1.00 0.00 C ATOM 441 O ARG A 476 2.900 -0.153 12.915 1.00 0.00 O ATOM 442 CB ARG A 476 1.880 2.051 15.234 1.00 0.00 C ATOM 443 CG ARG A 476 3.260 2.062 15.870 1.00 0.00 C ATOM 444 CD ARG A 476 4.083 3.249 15.395 1.00 0.00 C ATOM 445 NE ARG A 476 5.216 3.519 16.277 1.00 0.00 N ATOM 446 CZ ARG A 476 6.331 2.798 16.281 1.00 0.00 C ATOM 447 NH1 ARG A 476 6.463 1.769 15.455 1.00 0.00 N ATOM 448 NH2 ARG A 476 7.318 3.105 17.114 1.00 0.00 N ATOM 0 H ARG A 476 0.207 3.107 13.763 1.00 0.00 H new ATOM 0 HA ARG A 476 2.825 2.324 13.322 1.00 0.00 H new ATOM 0 HB2 ARG A 476 1.369 2.982 15.479 1.00 0.00 H new ATOM 0 HB3 ARG A 476 1.295 1.241 15.670 1.00 0.00 H new ATOM 0 HG2 ARG A 476 3.161 2.097 16.955 1.00 0.00 H new ATOM 0 HG3 ARG A 476 3.781 1.136 15.627 1.00 0.00 H new ATOM 0 HD2 ARG A 476 4.447 3.057 14.386 1.00 0.00 H new ATOM 0 HD3 ARG A 476 3.447 4.133 15.341 1.00 0.00 H new ATOM 0 HE ARG A 476 5.147 4.304 16.925 1.00 0.00 H new ATOM 0 HH11 ARG A 476 5.707 1.529 14.814 1.00 0.00 H new ATOM 0 HH12 ARG A 476 7.321 1.217 15.461 1.00 0.00 H new ATOM 0 HH21 ARG A 476 7.220 3.895 17.752 1.00 0.00 H new ATOM 0 HH22 ARG A 476 8.174 2.551 17.117 1.00 0.00 H new ATOM 462 N GLU A 477 0.741 -0.237 13.546 1.00 0.00 N ATOM 463 CA GLU A 477 0.595 -1.656 13.243 1.00 0.00 C ATOM 464 C GLU A 477 1.044 -1.957 11.816 1.00 0.00 C ATOM 465 O GLU A 477 1.888 -2.825 11.590 1.00 0.00 O ATOM 466 CB GLU A 477 -0.858 -2.095 13.435 1.00 0.00 C ATOM 467 CG GLU A 477 -1.190 -2.494 14.863 1.00 0.00 C ATOM 468 CD GLU A 477 -1.054 -1.340 15.838 1.00 0.00 C ATOM 469 OE1 GLU A 477 -1.810 -0.356 15.699 1.00 0.00 O ATOM 470 OE2 GLU A 477 -0.193 -1.422 16.738 1.00 0.00 O ATOM 0 H GLU A 477 -0.103 0.206 13.909 1.00 0.00 H new ATOM 0 HA GLU A 477 1.230 -2.215 13.931 1.00 0.00 H new ATOM 0 HB2 GLU A 477 -1.517 -1.282 13.131 1.00 0.00 H new ATOM 0 HB3 GLU A 477 -1.065 -2.937 12.774 1.00 0.00 H new ATOM 0 HG2 GLU A 477 -2.209 -2.879 14.901 1.00 0.00 H new ATOM 0 HG3 GLU A 477 -0.531 -3.305 15.172 1.00 0.00 H new ATOM 477 N ILE A 478 0.474 -1.235 10.858 1.00 0.00 N ATOM 478 CA ILE A 478 0.815 -1.424 9.453 1.00 0.00 C ATOM 479 C ILE A 478 2.298 -1.164 9.208 1.00 0.00 C ATOM 480 O ILE A 478 2.978 -1.958 8.558 1.00 0.00 O ATOM 481 CB ILE A 478 -0.014 -0.499 8.543 1.00 0.00 C ATOM 482 CG1 ILE A 478 -1.493 -0.561 8.928 1.00 0.00 C ATOM 483 CG2 ILE A 478 0.176 -0.883 7.083 1.00 0.00 C ATOM 484 CD1 ILE A 478 -2.058 -1.964 8.932 1.00 0.00 C ATOM 0 H ILE A 478 -0.226 -0.513 11.029 1.00 0.00 H new ATOM 0 HA ILE A 478 0.585 -2.461 9.209 1.00 0.00 H new ATOM 0 HB ILE A 478 0.334 0.525 8.677 1.00 0.00 H new ATOM 0 HG12 ILE A 478 -1.621 -0.124 9.918 1.00 0.00 H new ATOM 0 HG13 ILE A 478 -2.067 0.051 8.233 1.00 0.00 H new ATOM 0 HG21 ILE A 478 -0.416 -0.220 6.452 1.00 0.00 H new ATOM 0 HG22 ILE A 478 1.229 -0.792 6.817 1.00 0.00 H new ATOM 0 HG23 ILE A 478 -0.148 -1.913 6.932 1.00 0.00 H new ATOM 0 HD11 ILE A 478 -3.110 -1.932 9.214 1.00 0.00 H new ATOM 0 HD12 ILE A 478 -1.962 -2.398 7.937 1.00 0.00 H new ATOM 0 HD13 ILE A 478 -1.509 -2.575 9.648 1.00 0.00 H new ATOM 496 N ARG A 479 2.792 -0.049 9.735 1.00 0.00 N ATOM 497 CA ARG A 479 4.195 0.315 9.574 1.00 0.00 C ATOM 498 C ARG A 479 5.102 -0.879 9.855 1.00 0.00 C ATOM 499 O ARG A 479 5.903 -1.274 9.009 1.00 0.00 O ATOM 500 CB ARG A 479 4.554 1.473 10.508 1.00 0.00 C ATOM 501 CG ARG A 479 5.796 2.237 10.081 1.00 0.00 C ATOM 502 CD ARG A 479 5.846 3.619 10.715 1.00 0.00 C ATOM 503 NE ARG A 479 6.751 4.516 10.002 1.00 0.00 N ATOM 504 CZ ARG A 479 8.065 4.540 10.196 1.00 0.00 C ATOM 505 NH1 ARG A 479 8.624 3.720 11.076 1.00 0.00 N ATOM 506 NH2 ARG A 479 8.823 5.385 9.509 1.00 0.00 N ATOM 0 H ARG A 479 2.242 0.618 10.277 1.00 0.00 H new ATOM 0 HA ARG A 479 4.347 0.630 8.541 1.00 0.00 H new ATOM 0 HB2 ARG A 479 3.712 2.163 10.557 1.00 0.00 H new ATOM 0 HB3 ARG A 479 4.706 1.083 11.515 1.00 0.00 H new ATOM 0 HG2 ARG A 479 6.686 1.674 10.363 1.00 0.00 H new ATOM 0 HG3 ARG A 479 5.810 2.333 8.995 1.00 0.00 H new ATOM 0 HD2 ARG A 479 4.844 4.049 10.727 1.00 0.00 H new ATOM 0 HD3 ARG A 479 6.167 3.530 11.753 1.00 0.00 H new ATOM 0 HE ARG A 479 6.353 5.159 9.318 1.00 0.00 H new ATOM 0 HH11 ARG A 479 8.045 3.069 11.606 1.00 0.00 H new ATOM 0 HH12 ARG A 479 9.633 3.741 11.223 1.00 0.00 H new ATOM 0 HH21 ARG A 479 8.397 6.017 8.831 1.00 0.00 H new ATOM 0 HH22 ARG A 479 9.832 5.403 9.659 1.00 0.00 H new ATOM 520 N GLU A 480 4.971 -1.448 11.050 1.00 0.00 N ATOM 521 CA GLU A 480 5.780 -2.595 11.442 1.00 0.00 C ATOM 522 C GLU A 480 5.384 -3.837 10.649 1.00 0.00 C ATOM 523 O GLU A 480 6.226 -4.675 10.324 1.00 0.00 O ATOM 524 CB GLU A 480 5.631 -2.865 12.941 1.00 0.00 C ATOM 525 CG GLU A 480 6.206 -1.765 13.817 1.00 0.00 C ATOM 526 CD GLU A 480 7.683 -1.531 13.565 1.00 0.00 C ATOM 527 OE1 GLU A 480 8.409 -2.520 13.332 1.00 0.00 O ATOM 528 OE2 GLU A 480 8.113 -0.359 13.600 1.00 0.00 O ATOM 0 H GLU A 480 4.312 -1.133 11.762 1.00 0.00 H new ATOM 0 HA GLU A 480 6.822 -2.363 11.224 1.00 0.00 H new ATOM 0 HB2 GLU A 480 4.574 -2.990 13.176 1.00 0.00 H new ATOM 0 HB3 GLU A 480 6.125 -3.806 13.183 1.00 0.00 H new ATOM 0 HG2 GLU A 480 5.659 -0.839 13.637 1.00 0.00 H new ATOM 0 HG3 GLU A 480 6.057 -2.025 14.865 1.00 0.00 H new ATOM 535 N LEU A 481 4.096 -3.949 10.341 1.00 0.00 N ATOM 536 CA LEU A 481 3.587 -5.089 9.586 1.00 0.00 C ATOM 537 C LEU A 481 4.378 -5.286 8.297 1.00 0.00 C ATOM 538 O LEU A 481 4.678 -6.414 7.907 1.00 0.00 O ATOM 539 CB LEU A 481 2.105 -4.889 9.263 1.00 0.00 C ATOM 540 CG LEU A 481 1.379 -6.098 8.670 1.00 0.00 C ATOM 541 CD1 LEU A 481 1.107 -7.138 9.746 1.00 0.00 C ATOM 542 CD2 LEU A 481 0.081 -5.666 8.003 1.00 0.00 C ATOM 0 H LEU A 481 3.386 -3.265 10.602 1.00 0.00 H new ATOM 0 HA LEU A 481 3.702 -5.982 10.200 1.00 0.00 H new ATOM 0 HB2 LEU A 481 1.591 -4.594 10.178 1.00 0.00 H new ATOM 0 HB3 LEU A 481 2.015 -4.057 8.564 1.00 0.00 H new ATOM 0 HG LEU A 481 2.021 -6.548 7.913 1.00 0.00 H new ATOM 0 HD11 LEU A 481 0.590 -7.991 9.306 1.00 0.00 H new ATOM 0 HD12 LEU A 481 2.051 -7.470 10.178 1.00 0.00 H new ATOM 0 HD13 LEU A 481 0.485 -6.700 10.526 1.00 0.00 H new ATOM 0 HD21 LEU A 481 -0.422 -6.539 7.587 1.00 0.00 H new ATOM 0 HD22 LEU A 481 -0.566 -5.191 8.740 1.00 0.00 H new ATOM 0 HD23 LEU A 481 0.301 -4.958 7.204 1.00 0.00 H new ATOM 554 N PHE A 482 4.714 -4.180 7.640 1.00 0.00 N ATOM 555 CA PHE A 482 5.472 -4.231 6.395 1.00 0.00 C ATOM 556 C PHE A 482 6.962 -4.039 6.658 1.00 0.00 C ATOM 557 O PHE A 482 7.797 -4.767 6.121 1.00 0.00 O ATOM 558 CB PHE A 482 4.971 -3.160 5.424 1.00 0.00 C ATOM 559 CG PHE A 482 3.666 -3.510 4.767 1.00 0.00 C ATOM 560 CD1 PHE A 482 3.641 -4.270 3.609 1.00 0.00 C ATOM 561 CD2 PHE A 482 2.466 -3.078 5.307 1.00 0.00 C ATOM 562 CE1 PHE A 482 2.442 -4.593 3.002 1.00 0.00 C ATOM 563 CE2 PHE A 482 1.264 -3.398 4.704 1.00 0.00 C ATOM 564 CZ PHE A 482 1.252 -4.157 3.550 1.00 0.00 C ATOM 0 H PHE A 482 4.473 -3.238 7.949 1.00 0.00 H new ATOM 0 HA PHE A 482 5.324 -5.214 5.948 1.00 0.00 H new ATOM 0 HB2 PHE A 482 4.857 -2.218 5.961 1.00 0.00 H new ATOM 0 HB3 PHE A 482 5.725 -2.998 4.653 1.00 0.00 H new ATOM 0 HD1 PHE A 482 4.569 -4.614 3.176 1.00 0.00 H new ATOM 0 HD2 PHE A 482 2.469 -2.484 6.209 1.00 0.00 H new ATOM 0 HE1 PHE A 482 2.436 -5.186 2.099 1.00 0.00 H new ATOM 0 HE2 PHE A 482 0.335 -3.055 5.135 1.00 0.00 H new ATOM 0 HZ PHE A 482 0.314 -4.409 3.077 1.00 0.00 H new ATOM 574 N SER A 483 7.289 -3.052 7.487 1.00 0.00 N ATOM 575 CA SER A 483 8.679 -2.760 7.818 1.00 0.00 C ATOM 576 C SER A 483 9.477 -4.048 7.994 1.00 0.00 C ATOM 577 O SER A 483 10.542 -4.219 7.400 1.00 0.00 O ATOM 578 CB SER A 483 8.755 -1.920 9.094 1.00 0.00 C ATOM 579 OG SER A 483 10.095 -1.572 9.396 1.00 0.00 O ATOM 0 H SER A 483 6.610 -2.441 7.942 1.00 0.00 H new ATOM 0 HA SER A 483 9.113 -2.195 6.993 1.00 0.00 H new ATOM 0 HB2 SER A 483 8.159 -1.015 8.974 1.00 0.00 H new ATOM 0 HB3 SER A 483 8.324 -2.477 9.926 1.00 0.00 H new ATOM 0 HG SER A 483 10.117 -1.034 10.215 1.00 0.00 H new ATOM 585 N THR A 484 8.955 -4.953 8.816 1.00 0.00 N ATOM 586 CA THR A 484 9.618 -6.225 9.073 1.00 0.00 C ATOM 587 C THR A 484 10.262 -6.776 7.806 1.00 0.00 C ATOM 588 O THR A 484 11.378 -7.293 7.838 1.00 0.00 O ATOM 589 CB THR A 484 8.633 -7.270 9.631 1.00 0.00 C ATOM 590 OG1 THR A 484 8.136 -6.844 10.904 1.00 0.00 O ATOM 591 CG2 THR A 484 9.306 -8.627 9.771 1.00 0.00 C ATOM 0 H THR A 484 8.074 -4.828 9.315 1.00 0.00 H new ATOM 0 HA THR A 484 10.392 -6.033 9.816 1.00 0.00 H new ATOM 0 HB THR A 484 7.803 -7.365 8.931 1.00 0.00 H new ATOM 0 HG1 THR A 484 7.480 -6.127 10.776 1.00 0.00 H new ATOM 0 HG21 THR A 484 8.591 -9.349 10.167 1.00 0.00 H new ATOM 0 HG22 THR A 484 9.657 -8.962 8.795 1.00 0.00 H new ATOM 0 HG23 THR A 484 10.153 -8.545 10.452 1.00 0.00 H new ATOM 599 N PHE A 485 9.551 -6.661 6.689 1.00 0.00 N ATOM 600 CA PHE A 485 10.053 -7.147 5.409 1.00 0.00 C ATOM 601 C PHE A 485 11.217 -6.290 4.920 1.00 0.00 C ATOM 602 O PHE A 485 12.188 -6.801 4.365 1.00 0.00 O ATOM 603 CB PHE A 485 8.934 -7.151 4.366 1.00 0.00 C ATOM 604 CG PHE A 485 8.072 -8.380 4.416 1.00 0.00 C ATOM 605 CD1 PHE A 485 7.141 -8.548 5.429 1.00 0.00 C ATOM 606 CD2 PHE A 485 8.192 -9.366 3.451 1.00 0.00 C ATOM 607 CE1 PHE A 485 6.347 -9.679 5.477 1.00 0.00 C ATOM 608 CE2 PHE A 485 7.400 -10.499 3.494 1.00 0.00 C ATOM 609 CZ PHE A 485 6.476 -10.654 4.508 1.00 0.00 C ATOM 0 H PHE A 485 8.625 -6.235 6.644 1.00 0.00 H new ATOM 0 HA PHE A 485 10.411 -8.167 5.551 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.308 -6.271 4.514 1.00 0.00 H new ATOM 0 HB3 PHE A 485 9.374 -7.066 3.372 1.00 0.00 H new ATOM 0 HD1 PHE A 485 7.035 -7.788 6.189 1.00 0.00 H new ATOM 0 HD2 PHE A 485 8.913 -9.249 2.655 1.00 0.00 H new ATOM 0 HE1 PHE A 485 5.626 -9.800 6.272 1.00 0.00 H new ATOM 0 HE2 PHE A 485 7.504 -11.261 2.736 1.00 0.00 H new ATOM 0 HZ PHE A 485 5.855 -11.537 4.543 1.00 0.00 H new ATOM 619 N GLY A 486 11.110 -4.981 5.130 1.00 0.00 N ATOM 620 CA GLY A 486 12.159 -4.073 4.705 1.00 0.00 C ATOM 621 C GLY A 486 11.842 -2.628 5.033 1.00 0.00 C ATOM 622 O GLY A 486 10.786 -2.328 5.588 1.00 0.00 O ATOM 0 H GLY A 486 10.315 -4.534 5.587 1.00 0.00 H new ATOM 0 HA2 GLY A 486 13.096 -4.354 5.186 1.00 0.00 H new ATOM 0 HA3 GLY A 486 12.309 -4.174 3.630 1.00 0.00 H new ATOM 626 N GLU A 487 12.762 -1.730 4.692 1.00 0.00 N ATOM 627 CA GLU A 487 12.575 -0.308 4.957 1.00 0.00 C ATOM 628 C GLU A 487 11.414 0.250 4.139 1.00 0.00 C ATOM 629 O GLU A 487 11.265 -0.062 2.957 1.00 0.00 O ATOM 630 CB GLU A 487 13.856 0.465 4.636 1.00 0.00 C ATOM 631 CG GLU A 487 13.932 1.823 5.312 1.00 0.00 C ATOM 632 CD GLU A 487 13.557 1.766 6.781 1.00 0.00 C ATOM 633 OE1 GLU A 487 12.358 1.916 7.093 1.00 0.00 O ATOM 634 OE2 GLU A 487 14.465 1.571 7.617 1.00 0.00 O ATOM 0 H GLU A 487 13.643 -1.962 4.232 1.00 0.00 H new ATOM 0 HA GLU A 487 12.342 -0.189 6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 487 14.716 -0.131 4.940 1.00 0.00 H new ATOM 0 HB3 GLU A 487 13.928 0.601 3.557 1.00 0.00 H new ATOM 0 HG2 GLU A 487 14.944 2.217 5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 487 13.268 2.518 4.798 1.00 0.00 H new ATOM 641 N LEU A 488 10.593 1.076 4.778 1.00 0.00 N ATOM 642 CA LEU A 488 9.443 1.678 4.112 1.00 0.00 C ATOM 643 C LEU A 488 9.702 3.149 3.801 1.00 0.00 C ATOM 644 O LEU A 488 10.542 3.790 4.434 1.00 0.00 O ATOM 645 CB LEU A 488 8.194 1.542 4.984 1.00 0.00 C ATOM 646 CG LEU A 488 7.828 0.121 5.414 1.00 0.00 C ATOM 647 CD1 LEU A 488 6.888 0.151 6.609 1.00 0.00 C ATOM 648 CD2 LEU A 488 7.199 -0.641 4.257 1.00 0.00 C ATOM 0 H LEU A 488 10.702 1.344 5.756 1.00 0.00 H new ATOM 0 HA LEU A 488 9.282 1.150 3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 488 8.333 2.147 5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 488 7.349 1.965 4.442 1.00 0.00 H new ATOM 0 HG LEU A 488 8.741 -0.396 5.709 1.00 0.00 H new ATOM 0 HD11 LEU A 488 6.638 -0.869 6.901 1.00 0.00 H new ATOM 0 HD12 LEU A 488 7.375 0.658 7.442 1.00 0.00 H new ATOM 0 HD13 LEU A 488 5.976 0.685 6.342 1.00 0.00 H new ATOM 0 HD21 LEU A 488 6.945 -1.650 4.581 1.00 0.00 H new ATOM 0 HD22 LEU A 488 6.295 -0.126 3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 488 7.906 -0.693 3.429 1.00 0.00 H new ATOM 660 N LYS A 489 8.975 3.680 2.824 1.00 0.00 N ATOM 661 CA LYS A 489 9.122 5.076 2.431 1.00 0.00 C ATOM 662 C LYS A 489 8.237 5.978 3.286 1.00 0.00 C ATOM 663 O LYS A 489 8.704 6.968 3.851 1.00 0.00 O ATOM 664 CB LYS A 489 8.770 5.251 0.952 1.00 0.00 C ATOM 665 CG LYS A 489 9.893 4.858 0.009 1.00 0.00 C ATOM 666 CD LYS A 489 9.766 5.561 -1.332 1.00 0.00 C ATOM 667 CE LYS A 489 11.115 5.694 -2.022 1.00 0.00 C ATOM 668 NZ LYS A 489 12.133 6.320 -1.133 1.00 0.00 N ATOM 0 H LYS A 489 8.277 3.163 2.289 1.00 0.00 H new ATOM 0 HA LYS A 489 10.162 5.364 2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 489 7.889 4.652 0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 489 8.503 6.292 0.771 1.00 0.00 H new ATOM 0 HG2 LYS A 489 10.853 5.106 0.462 1.00 0.00 H new ATOM 0 HG3 LYS A 489 9.881 3.779 -0.142 1.00 0.00 H new ATOM 0 HD2 LYS A 489 9.082 5.004 -1.972 1.00 0.00 H new ATOM 0 HD3 LYS A 489 9.332 6.550 -1.186 1.00 0.00 H new ATOM 0 HE2 LYS A 489 11.462 4.709 -2.334 1.00 0.00 H new ATOM 0 HE3 LYS A 489 11.003 6.294 -2.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 489 12.739 6.954 -1.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 489 11.655 6.865 -0.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 489 12.717 5.578 -0.698 1.00 0.00 H new ATOM 682 N THR A 490 6.958 5.629 3.378 1.00 0.00 N ATOM 683 CA THR A 490 6.008 6.407 4.164 1.00 0.00 C ATOM 684 C THR A 490 4.691 5.658 4.332 1.00 0.00 C ATOM 685 O THR A 490 4.155 5.100 3.375 1.00 0.00 O ATOM 686 CB THR A 490 5.729 7.775 3.514 1.00 0.00 C ATOM 687 OG1 THR A 490 4.955 8.590 4.402 1.00 0.00 O ATOM 688 CG2 THR A 490 4.987 7.607 2.196 1.00 0.00 C ATOM 0 H THR A 490 6.556 4.812 2.918 1.00 0.00 H new ATOM 0 HA THR A 490 6.461 6.564 5.143 1.00 0.00 H new ATOM 0 HB THR A 490 6.685 8.260 3.315 1.00 0.00 H new ATOM 0 HG1 THR A 490 4.783 9.459 3.982 1.00 0.00 H new ATOM 0 HG21 THR A 490 4.801 8.587 1.756 1.00 0.00 H new ATOM 0 HG22 THR A 490 5.591 7.010 1.512 1.00 0.00 H new ATOM 0 HG23 THR A 490 4.037 7.103 2.375 1.00 0.00 H new ATOM 696 N VAL A 491 4.172 5.651 5.556 1.00 0.00 N ATOM 697 CA VAL A 491 2.916 4.972 5.850 1.00 0.00 C ATOM 698 C VAL A 491 1.749 5.954 5.857 1.00 0.00 C ATOM 699 O VAL A 491 1.653 6.813 6.734 1.00 0.00 O ATOM 700 CB VAL A 491 2.972 4.249 7.209 1.00 0.00 C ATOM 701 CG1 VAL A 491 1.570 3.917 7.696 1.00 0.00 C ATOM 702 CG2 VAL A 491 3.822 2.991 7.107 1.00 0.00 C ATOM 0 H VAL A 491 4.602 6.108 6.360 1.00 0.00 H new ATOM 0 HA VAL A 491 2.763 4.235 5.061 1.00 0.00 H new ATOM 0 HB VAL A 491 3.435 4.915 7.937 1.00 0.00 H new ATOM 0 HG11 VAL A 491 1.630 3.407 8.657 1.00 0.00 H new ATOM 0 HG12 VAL A 491 0.997 4.837 7.809 1.00 0.00 H new ATOM 0 HG13 VAL A 491 1.077 3.269 6.971 1.00 0.00 H new ATOM 0 HG21 VAL A 491 3.851 2.492 8.076 1.00 0.00 H new ATOM 0 HG22 VAL A 491 3.390 2.319 6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 491 4.835 3.260 6.807 1.00 0.00 H new ATOM 712 N ARG A 492 0.865 5.821 4.875 1.00 0.00 N ATOM 713 CA ARG A 492 -0.296 6.698 4.768 1.00 0.00 C ATOM 714 C ARG A 492 -1.578 5.947 5.114 1.00 0.00 C ATOM 715 O ARG A 492 -1.931 4.965 4.460 1.00 0.00 O ATOM 716 CB ARG A 492 -0.396 7.275 3.355 1.00 0.00 C ATOM 717 CG ARG A 492 0.707 8.267 3.022 1.00 0.00 C ATOM 718 CD ARG A 492 0.531 8.848 1.628 1.00 0.00 C ATOM 719 NE ARG A 492 -0.394 9.978 1.619 1.00 0.00 N ATOM 720 CZ ARG A 492 -0.103 11.171 2.127 1.00 0.00 C ATOM 721 NH1 ARG A 492 1.082 11.387 2.682 1.00 0.00 N ATOM 722 NH2 ARG A 492 -0.998 12.149 2.081 1.00 0.00 N ATOM 0 H ARG A 492 0.929 5.115 4.142 1.00 0.00 H new ATOM 0 HA ARG A 492 -0.171 7.515 5.479 1.00 0.00 H new ATOM 0 HB2 ARG A 492 -0.367 6.457 2.635 1.00 0.00 H new ATOM 0 HB3 ARG A 492 -1.362 7.767 3.240 1.00 0.00 H new ATOM 0 HG2 ARG A 492 0.707 9.073 3.756 1.00 0.00 H new ATOM 0 HG3 ARG A 492 1.676 7.773 3.092 1.00 0.00 H new ATOM 0 HD2 ARG A 492 1.499 9.169 1.244 1.00 0.00 H new ATOM 0 HD3 ARG A 492 0.163 8.073 0.956 1.00 0.00 H new ATOM 0 HE ARG A 492 -1.314 9.844 1.200 1.00 0.00 H new ATOM 0 HH11 ARG A 492 1.772 10.637 2.719 1.00 0.00 H new ATOM 0 HH12 ARG A 492 1.303 12.303 3.071 1.00 0.00 H new ATOM 0 HH21 ARG A 492 -1.910 11.986 1.655 1.00 0.00 H new ATOM 0 HH22 ARG A 492 -0.774 13.064 2.471 1.00 0.00 H new ATOM 736 N LEU A 493 -2.270 6.414 6.147 1.00 0.00 N ATOM 737 CA LEU A 493 -3.514 5.787 6.581 1.00 0.00 C ATOM 738 C LEU A 493 -4.612 6.828 6.769 1.00 0.00 C ATOM 739 O LEU A 493 -4.365 7.958 7.192 1.00 0.00 O ATOM 740 CB LEU A 493 -3.293 5.021 7.886 1.00 0.00 C ATOM 741 CG LEU A 493 -2.788 3.584 7.744 1.00 0.00 C ATOM 742 CD1 LEU A 493 -1.268 3.555 7.693 1.00 0.00 C ATOM 743 CD2 LEU A 493 -3.301 2.723 8.889 1.00 0.00 C ATOM 0 H LEU A 493 -1.991 7.225 6.700 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.830 5.089 5.806 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.579 5.577 8.494 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -4.234 5.002 8.436 1.00 0.00 H new ATOM 0 HG LEU A 493 -3.171 3.176 6.809 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -0.927 2.525 7.592 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -0.921 4.137 6.839 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -0.865 3.982 8.611 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -2.932 1.704 8.772 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.948 3.130 9.837 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -4.391 2.717 8.880 1.00 0.00 H new ATOM 899 N ARG A 504 -11.332 4.626 7.351 1.00 0.00 N ATOM 900 CA ARG A 504 -11.657 3.830 6.174 1.00 0.00 C ATOM 901 C ARG A 504 -10.771 2.591 6.093 1.00 0.00 C ATOM 902 O ARG A 504 -9.582 2.644 6.405 1.00 0.00 O ATOM 903 CB ARG A 504 -11.496 4.669 4.905 1.00 0.00 C ATOM 904 CG ARG A 504 -12.410 4.238 3.770 1.00 0.00 C ATOM 905 CD ARG A 504 -13.811 4.805 3.936 1.00 0.00 C ATOM 906 NE ARG A 504 -13.952 6.112 3.299 1.00 0.00 N ATOM 907 CZ ARG A 504 -13.852 6.305 1.989 1.00 0.00 C ATOM 908 NH1 ARG A 504 -13.613 5.281 1.181 1.00 0.00 N ATOM 909 NH2 ARG A 504 -13.992 7.524 1.484 1.00 0.00 N ATOM 0 HA ARG A 504 -12.695 3.508 6.260 1.00 0.00 H new ATOM 0 HB2 ARG A 504 -11.694 5.714 5.143 1.00 0.00 H new ATOM 0 HB3 ARG A 504 -10.461 4.609 4.569 1.00 0.00 H new ATOM 0 HG2 ARG A 504 -11.992 4.570 2.819 1.00 0.00 H new ATOM 0 HG3 ARG A 504 -12.459 3.150 3.734 1.00 0.00 H new ATOM 0 HD2 ARG A 504 -14.535 4.113 3.507 1.00 0.00 H new ATOM 0 HD3 ARG A 504 -14.043 4.892 4.997 1.00 0.00 H new ATOM 0 HE ARG A 504 -14.137 6.920 3.893 1.00 0.00 H new ATOM 0 HH11 ARG A 504 -13.506 4.342 1.565 1.00 0.00 H new ATOM 0 HH12 ARG A 504 -13.537 5.432 0.175 1.00 0.00 H new ATOM 0 HH21 ARG A 504 -14.177 8.314 2.102 1.00 0.00 H new ATOM 0 HH22 ARG A 504 -13.915 7.671 0.478 1.00 0.00 H new ATOM 923 N GLY A 505 -11.359 1.474 5.674 1.00 0.00 N ATOM 924 CA GLY A 505 -10.608 0.238 5.561 1.00 0.00 C ATOM 925 C GLY A 505 -9.673 0.234 4.368 1.00 0.00 C ATOM 926 O GLY A 505 -9.881 -0.510 3.409 1.00 0.00 O ATOM 0 H GLY A 505 -12.342 1.404 5.411 1.00 0.00 H new ATOM 0 HA2 GLY A 505 -10.030 0.083 6.472 1.00 0.00 H new ATOM 0 HA3 GLY A 505 -11.302 -0.599 5.478 1.00 0.00 H new ATOM 930 N PHE A 506 -8.640 1.069 4.425 1.00 0.00 N ATOM 931 CA PHE A 506 -7.671 1.161 3.340 1.00 0.00 C ATOM 932 C PHE A 506 -6.405 1.879 3.800 1.00 0.00 C ATOM 933 O PHE A 506 -6.471 2.883 4.508 1.00 0.00 O ATOM 934 CB PHE A 506 -8.281 1.895 2.144 1.00 0.00 C ATOM 935 CG PHE A 506 -8.076 3.383 2.186 1.00 0.00 C ATOM 936 CD1 PHE A 506 -6.808 3.925 2.045 1.00 0.00 C ATOM 937 CD2 PHE A 506 -9.151 4.238 2.365 1.00 0.00 C ATOM 938 CE1 PHE A 506 -6.617 5.293 2.084 1.00 0.00 C ATOM 939 CE2 PHE A 506 -8.966 5.608 2.404 1.00 0.00 C ATOM 940 CZ PHE A 506 -7.697 6.136 2.263 1.00 0.00 C ATOM 0 H PHE A 506 -8.453 1.691 5.211 1.00 0.00 H new ATOM 0 HA PHE A 506 -7.404 0.148 3.038 1.00 0.00 H new ATOM 0 HB2 PHE A 506 -7.845 1.502 1.226 1.00 0.00 H new ATOM 0 HB3 PHE A 506 -9.350 1.684 2.105 1.00 0.00 H new ATOM 0 HD1 PHE A 506 -5.960 3.271 1.903 1.00 0.00 H new ATOM 0 HD2 PHE A 506 -10.145 3.830 2.475 1.00 0.00 H new ATOM 0 HE1 PHE A 506 -5.624 5.703 1.975 1.00 0.00 H new ATOM 0 HE2 PHE A 506 -9.812 6.264 2.544 1.00 0.00 H new ATOM 0 HZ PHE A 506 -7.550 7.205 2.293 1.00 0.00 H new ATOM 950 N GLY A 507 -5.253 1.354 3.393 1.00 0.00 N ATOM 951 CA GLY A 507 -3.989 1.957 3.774 1.00 0.00 C ATOM 952 C GLY A 507 -2.976 1.939 2.646 1.00 0.00 C ATOM 953 O GLY A 507 -2.805 0.924 1.971 1.00 0.00 O ATOM 0 H GLY A 507 -5.173 0.523 2.807 1.00 0.00 H new ATOM 0 HA2 GLY A 507 -4.161 2.987 4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 507 -3.581 1.426 4.634 1.00 0.00 H new ATOM 957 N PHE A 508 -2.303 3.066 2.440 1.00 0.00 N ATOM 958 CA PHE A 508 -1.303 3.178 1.384 1.00 0.00 C ATOM 959 C PHE A 508 0.106 3.040 1.952 1.00 0.00 C ATOM 960 O PHE A 508 0.550 3.868 2.747 1.00 0.00 O ATOM 961 CB PHE A 508 -1.444 4.517 0.658 1.00 0.00 C ATOM 962 CG PHE A 508 -2.402 4.475 -0.498 1.00 0.00 C ATOM 963 CD1 PHE A 508 -3.770 4.439 -0.281 1.00 0.00 C ATOM 964 CD2 PHE A 508 -1.934 4.471 -1.803 1.00 0.00 C ATOM 965 CE1 PHE A 508 -4.653 4.399 -1.344 1.00 0.00 C ATOM 966 CE2 PHE A 508 -2.812 4.432 -2.869 1.00 0.00 C ATOM 967 CZ PHE A 508 -4.173 4.397 -2.639 1.00 0.00 C ATOM 0 H PHE A 508 -2.432 3.915 2.990 1.00 0.00 H new ATOM 0 HA PHE A 508 -1.470 2.369 0.673 1.00 0.00 H new ATOM 0 HB2 PHE A 508 -1.778 5.273 1.369 1.00 0.00 H new ATOM 0 HB3 PHE A 508 -0.464 4.830 0.296 1.00 0.00 H new ATOM 0 HD1 PHE A 508 -4.151 4.442 0.730 1.00 0.00 H new ATOM 0 HD2 PHE A 508 -0.870 4.499 -1.989 1.00 0.00 H new ATOM 0 HE1 PHE A 508 -5.717 4.369 -1.162 1.00 0.00 H new ATOM 0 HE2 PHE A 508 -2.434 4.429 -3.881 1.00 0.00 H new ATOM 0 HZ PHE A 508 -4.861 4.368 -3.471 1.00 0.00 H new ATOM 977 N VAL A 509 0.804 1.987 1.539 1.00 0.00 N ATOM 978 CA VAL A 509 2.163 1.740 2.006 1.00 0.00 C ATOM 979 C VAL A 509 3.164 1.834 0.860 1.00 0.00 C ATOM 980 O VAL A 509 2.897 1.373 -0.250 1.00 0.00 O ATOM 981 CB VAL A 509 2.286 0.354 2.667 1.00 0.00 C ATOM 982 CG1 VAL A 509 3.676 0.164 3.254 1.00 0.00 C ATOM 983 CG2 VAL A 509 1.218 0.177 3.736 1.00 0.00 C ATOM 0 H VAL A 509 0.451 1.291 0.882 1.00 0.00 H new ATOM 0 HA VAL A 509 2.388 2.509 2.745 1.00 0.00 H new ATOM 0 HB VAL A 509 2.133 -0.408 1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 509 3.744 -0.821 3.717 1.00 0.00 H new ATOM 0 HG12 VAL A 509 4.420 0.245 2.461 1.00 0.00 H new ATOM 0 HG13 VAL A 509 3.862 0.932 4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 509 1.320 -0.808 4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 509 1.337 0.945 4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 509 0.231 0.266 3.282 1.00 0.00 H new ATOM 993 N ASP A 510 4.316 2.435 1.136 1.00 0.00 N ATOM 994 CA ASP A 510 5.358 2.589 0.128 1.00 0.00 C ATOM 995 C ASP A 510 6.665 1.957 0.597 1.00 0.00 C ATOM 996 O ASP A 510 6.972 1.951 1.789 1.00 0.00 O ATOM 997 CB ASP A 510 5.578 4.070 -0.186 1.00 0.00 C ATOM 998 CG ASP A 510 4.411 4.683 -0.935 1.00 0.00 C ATOM 999 OD1 ASP A 510 3.285 4.156 -0.812 1.00 0.00 O ATOM 1000 OD2 ASP A 510 4.623 5.688 -1.646 1.00 0.00 O ATOM 0 H ASP A 510 4.552 2.823 2.049 1.00 0.00 H new ATOM 0 HA ASP A 510 5.032 2.078 -0.778 1.00 0.00 H new ATOM 0 HB2 ASP A 510 5.736 4.616 0.744 1.00 0.00 H new ATOM 0 HB3 ASP A 510 6.486 4.182 -0.779 1.00 0.00 H new ATOM 1005 N PHE A 511 7.431 1.423 -0.349 1.00 0.00 N ATOM 1006 CA PHE A 511 8.704 0.786 -0.034 1.00 0.00 C ATOM 1007 C PHE A 511 9.859 1.508 -0.721 1.00 0.00 C ATOM 1008 O PHE A 511 9.695 2.073 -1.803 1.00 0.00 O ATOM 1009 CB PHE A 511 8.681 -0.684 -0.457 1.00 0.00 C ATOM 1010 CG PHE A 511 8.189 -1.611 0.617 1.00 0.00 C ATOM 1011 CD1 PHE A 511 9.071 -2.166 1.529 1.00 0.00 C ATOM 1012 CD2 PHE A 511 6.843 -1.926 0.716 1.00 0.00 C ATOM 1013 CE1 PHE A 511 8.622 -3.019 2.520 1.00 0.00 C ATOM 1014 CE2 PHE A 511 6.387 -2.778 1.704 1.00 0.00 C ATOM 1015 CZ PHE A 511 7.278 -3.326 2.607 1.00 0.00 C ATOM 0 H PHE A 511 7.192 1.419 -1.341 1.00 0.00 H new ATOM 0 HA PHE A 511 8.854 0.844 1.044 1.00 0.00 H new ATOM 0 HB2 PHE A 511 8.046 -0.790 -1.336 1.00 0.00 H new ATOM 0 HB3 PHE A 511 9.686 -0.984 -0.752 1.00 0.00 H new ATOM 0 HD1 PHE A 511 10.123 -1.930 1.465 1.00 0.00 H new ATOM 0 HD2 PHE A 511 6.142 -1.501 0.013 1.00 0.00 H new ATOM 0 HE1 PHE A 511 9.321 -3.445 3.225 1.00 0.00 H new ATOM 0 HE2 PHE A 511 5.335 -3.015 1.770 1.00 0.00 H new ATOM 0 HZ PHE A 511 6.924 -3.993 3.379 1.00 0.00 H new ATOM 1025 N ILE A 512 11.025 1.484 -0.086 1.00 0.00 N ATOM 1026 CA ILE A 512 12.208 2.135 -0.636 1.00 0.00 C ATOM 1027 C ILE A 512 12.587 1.536 -1.986 1.00 0.00 C ATOM 1028 O ILE A 512 12.925 2.257 -2.925 1.00 0.00 O ATOM 1029 CB ILE A 512 13.410 2.019 0.320 1.00 0.00 C ATOM 1030 CG1 ILE A 512 13.012 2.458 1.731 1.00 0.00 C ATOM 1031 CG2 ILE A 512 14.575 2.854 -0.191 1.00 0.00 C ATOM 1032 CD1 ILE A 512 12.448 3.860 1.791 1.00 0.00 C ATOM 0 H ILE A 512 11.177 1.021 0.810 1.00 0.00 H new ATOM 0 HA ILE A 512 11.958 3.188 -0.766 1.00 0.00 H new ATOM 0 HB ILE A 512 13.725 0.976 0.360 1.00 0.00 H new ATOM 0 HG12 ILE A 512 12.273 1.761 2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 512 13.885 2.398 2.381 1.00 0.00 H new ATOM 0 HG21 ILE A 512 15.417 2.762 0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 512 14.871 2.500 -1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 512 14.273 3.899 -0.256 1.00 0.00 H new ATOM 0 HD11 ILE A 512 12.188 4.104 2.821 1.00 0.00 H new ATOM 0 HD12 ILE A 512 13.193 4.568 1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 512 11.556 3.920 1.167 1.00 0.00 H new ATOM 1044 N THR A 513 12.527 0.211 -2.078 1.00 0.00 N ATOM 1045 CA THR A 513 12.863 -0.486 -3.313 1.00 0.00 C ATOM 1046 C THR A 513 11.669 -1.270 -3.844 1.00 0.00 C ATOM 1047 O THR A 513 10.600 -1.284 -3.233 1.00 0.00 O ATOM 1048 CB THR A 513 14.047 -1.450 -3.110 1.00 0.00 C ATOM 1049 OG1 THR A 513 13.571 -2.718 -2.644 1.00 0.00 O ATOM 1050 CG2 THR A 513 15.044 -0.880 -2.113 1.00 0.00 C ATOM 0 H THR A 513 12.249 -0.401 -1.311 1.00 0.00 H new ATOM 0 HA THR A 513 13.145 0.276 -4.039 1.00 0.00 H new ATOM 0 HB THR A 513 14.550 -1.580 -4.068 1.00 0.00 H new ATOM 0 HG1 THR A 513 14.329 -3.326 -2.518 1.00 0.00 H new ATOM 0 HG21 THR A 513 15.871 -1.578 -1.986 1.00 0.00 H new ATOM 0 HG22 THR A 513 15.426 0.071 -2.484 1.00 0.00 H new ATOM 0 HG23 THR A 513 14.550 -0.724 -1.154 1.00 0.00 H new ATOM 1058 N LYS A 514 11.856 -1.923 -4.986 1.00 0.00 N ATOM 1059 CA LYS A 514 10.795 -2.712 -5.600 1.00 0.00 C ATOM 1060 C LYS A 514 10.784 -4.133 -5.047 1.00 0.00 C ATOM 1061 O LYS A 514 9.722 -4.714 -4.826 1.00 0.00 O ATOM 1062 CB LYS A 514 10.971 -2.747 -7.120 1.00 0.00 C ATOM 1063 CG LYS A 514 11.226 -1.381 -7.734 1.00 0.00 C ATOM 1064 CD LYS A 514 11.112 -1.421 -9.249 1.00 0.00 C ATOM 1065 CE LYS A 514 12.422 -1.847 -9.895 1.00 0.00 C ATOM 1066 NZ LYS A 514 12.779 -3.251 -9.551 1.00 0.00 N ATOM 0 H LYS A 514 12.734 -1.921 -5.505 1.00 0.00 H new ATOM 0 HA LYS A 514 9.842 -2.240 -5.361 1.00 0.00 H new ATOM 0 HB2 LYS A 514 11.802 -3.408 -7.366 1.00 0.00 H new ATOM 0 HB3 LYS A 514 10.077 -3.178 -7.571 1.00 0.00 H new ATOM 0 HG2 LYS A 514 10.512 -0.662 -7.333 1.00 0.00 H new ATOM 0 HG3 LYS A 514 12.220 -1.034 -7.452 1.00 0.00 H new ATOM 0 HD2 LYS A 514 10.321 -2.113 -9.537 1.00 0.00 H new ATOM 0 HD3 LYS A 514 10.825 -0.437 -9.620 1.00 0.00 H new ATOM 0 HE2 LYS A 514 12.342 -1.747 -10.978 1.00 0.00 H new ATOM 0 HE3 LYS A 514 13.221 -1.179 -9.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 514 13.337 -3.667 -10.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 514 13.339 -3.262 -8.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 514 11.910 -3.806 -9.414 1.00 0.00 H new ATOM 1080 N GLN A 515 11.972 -4.686 -4.824 1.00 0.00 N ATOM 1081 CA GLN A 515 12.097 -6.039 -4.295 1.00 0.00 C ATOM 1082 C GLN A 515 11.236 -6.219 -3.049 1.00 0.00 C ATOM 1083 O GLN A 515 10.234 -6.933 -3.074 1.00 0.00 O ATOM 1084 CB GLN A 515 13.559 -6.348 -3.968 1.00 0.00 C ATOM 1085 CG GLN A 515 14.401 -6.676 -5.190 1.00 0.00 C ATOM 1086 CD GLN A 515 14.246 -8.117 -5.635 1.00 0.00 C ATOM 1087 OE1 GLN A 515 13.151 -8.556 -5.987 1.00 0.00 O ATOM 1088 NE2 GLN A 515 15.346 -8.862 -5.622 1.00 0.00 N ATOM 0 H GLN A 515 12.861 -4.218 -5.001 1.00 0.00 H new ATOM 0 HA GLN A 515 11.748 -6.734 -5.059 1.00 0.00 H new ATOM 0 HB2 GLN A 515 13.997 -5.491 -3.455 1.00 0.00 H new ATOM 0 HB3 GLN A 515 13.598 -7.188 -3.275 1.00 0.00 H new ATOM 0 HG2 GLN A 515 14.119 -6.014 -6.009 1.00 0.00 H new ATOM 0 HG3 GLN A 515 15.450 -6.479 -4.968 1.00 0.00 H new ATOM 0 HE21 GLN A 515 16.233 -8.457 -5.323 1.00 0.00 H new ATOM 0 HE22 GLN A 515 15.304 -9.839 -5.911 1.00 0.00 H new ATOM 1097 N ASP A 516 11.634 -5.567 -1.962 1.00 0.00 N ATOM 1098 CA ASP A 516 10.898 -5.654 -0.706 1.00 0.00 C ATOM 1099 C ASP A 516 9.400 -5.483 -0.941 1.00 0.00 C ATOM 1100 O ASP A 516 8.585 -6.193 -0.354 1.00 0.00 O ATOM 1101 CB ASP A 516 11.397 -4.594 0.277 1.00 0.00 C ATOM 1102 CG ASP A 516 11.866 -3.333 -0.421 1.00 0.00 C ATOM 1103 OD1 ASP A 516 11.259 -2.961 -1.447 1.00 0.00 O ATOM 1104 OD2 ASP A 516 12.842 -2.717 0.058 1.00 0.00 O ATOM 0 H ASP A 516 12.462 -4.973 -1.925 1.00 0.00 H new ATOM 0 HA ASP A 516 11.070 -6.643 -0.280 1.00 0.00 H new ATOM 0 HB2 ASP A 516 10.597 -4.344 0.974 1.00 0.00 H new ATOM 0 HB3 ASP A 516 12.216 -5.006 0.866 1.00 0.00 H new ATOM 1109 N ALA A 517 9.046 -4.535 -1.803 1.00 0.00 N ATOM 1110 CA ALA A 517 7.647 -4.271 -2.116 1.00 0.00 C ATOM 1111 C ALA A 517 6.955 -5.526 -2.638 1.00 0.00 C ATOM 1112 O ALA A 517 5.935 -5.955 -2.099 1.00 0.00 O ATOM 1113 CB ALA A 517 7.537 -3.144 -3.132 1.00 0.00 C ATOM 0 H ALA A 517 9.709 -3.937 -2.297 1.00 0.00 H new ATOM 0 HA ALA A 517 7.146 -3.967 -1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 517 6.487 -2.958 -3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 517 7.987 -2.240 -2.722 1.00 0.00 H new ATOM 0 HB3 ALA A 517 8.059 -3.426 -4.046 1.00 0.00 H new ATOM 1119 N LYS A 518 7.517 -6.110 -3.691 1.00 0.00 N ATOM 1120 CA LYS A 518 6.955 -7.317 -4.287 1.00 0.00 C ATOM 1121 C LYS A 518 6.924 -8.459 -3.277 1.00 0.00 C ATOM 1122 O LYS A 518 5.871 -9.040 -3.013 1.00 0.00 O ATOM 1123 CB LYS A 518 7.768 -7.730 -5.516 1.00 0.00 C ATOM 1124 CG LYS A 518 7.731 -6.711 -6.641 1.00 0.00 C ATOM 1125 CD LYS A 518 6.482 -6.866 -7.492 1.00 0.00 C ATOM 1126 CE LYS A 518 6.688 -7.883 -8.604 1.00 0.00 C ATOM 1127 NZ LYS A 518 7.920 -7.603 -9.392 1.00 0.00 N ATOM 0 H LYS A 518 8.361 -5.767 -4.149 1.00 0.00 H new ATOM 0 HA LYS A 518 5.932 -7.099 -4.593 1.00 0.00 H new ATOM 0 HB2 LYS A 518 8.804 -7.892 -5.218 1.00 0.00 H new ATOM 0 HB3 LYS A 518 7.390 -8.683 -5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 518 7.765 -5.705 -6.223 1.00 0.00 H new ATOM 0 HG3 LYS A 518 8.616 -6.826 -7.267 1.00 0.00 H new ATOM 0 HD2 LYS A 518 5.648 -7.177 -6.863 1.00 0.00 H new ATOM 0 HD3 LYS A 518 6.213 -5.902 -7.924 1.00 0.00 H new ATOM 0 HE2 LYS A 518 6.751 -8.883 -8.174 1.00 0.00 H new ATOM 0 HE3 LYS A 518 5.823 -7.875 -9.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 7.738 -7.790 -10.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 8.192 -6.607 -9.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 8.691 -8.217 -9.060 1.00 0.00 H new ATOM 1141 N LYS A 519 8.085 -8.776 -2.713 1.00 0.00 N ATOM 1142 CA LYS A 519 8.191 -9.847 -1.729 1.00 0.00 C ATOM 1143 C LYS A 519 7.109 -9.715 -0.662 1.00 0.00 C ATOM 1144 O LYS A 519 6.304 -10.625 -0.465 1.00 0.00 O ATOM 1145 CB LYS A 519 9.574 -9.829 -1.074 1.00 0.00 C ATOM 1146 CG LYS A 519 10.714 -10.051 -2.052 1.00 0.00 C ATOM 1147 CD LYS A 519 12.053 -10.136 -1.339 1.00 0.00 C ATOM 1148 CE LYS A 519 12.493 -8.778 -0.816 1.00 0.00 C ATOM 1149 NZ LYS A 519 13.972 -8.691 -0.673 1.00 0.00 N ATOM 0 H LYS A 519 8.966 -8.306 -2.921 1.00 0.00 H new ATOM 0 HA LYS A 519 8.052 -10.797 -2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 519 9.717 -8.871 -0.574 1.00 0.00 H new ATOM 0 HB3 LYS A 519 9.612 -10.600 -0.304 1.00 0.00 H new ATOM 0 HG2 LYS A 519 10.540 -10.970 -2.612 1.00 0.00 H new ATOM 0 HG3 LYS A 519 10.737 -9.236 -2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 519 11.981 -10.840 -0.510 1.00 0.00 H new ATOM 0 HD3 LYS A 519 12.807 -10.525 -2.023 1.00 0.00 H new ATOM 0 HE2 LYS A 519 12.147 -7.998 -1.495 1.00 0.00 H new ATOM 0 HE3 LYS A 519 12.023 -8.591 0.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 14.231 -7.750 -0.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 14.300 -9.418 -0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 14.420 -8.844 -1.599 1.00 0.00 H new ATOM 1163 N ALA A 520 7.096 -8.576 0.023 1.00 0.00 N ATOM 1164 CA ALA A 520 6.110 -8.324 1.067 1.00 0.00 C ATOM 1165 C ALA A 520 4.693 -8.355 0.503 1.00 0.00 C ATOM 1166 O ALA A 520 3.757 -8.791 1.174 1.00 0.00 O ATOM 1167 CB ALA A 520 6.384 -6.987 1.739 1.00 0.00 C ATOM 0 H ALA A 520 7.757 -7.813 -0.126 1.00 0.00 H new ATOM 0 HA ALA A 520 6.194 -9.116 1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 520 5.640 -6.811 2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 520 7.379 -7.001 2.185 1.00 0.00 H new ATOM 0 HB3 ALA A 520 6.330 -6.189 0.998 1.00 0.00 H new ATOM 1173 N PHE A 521 4.542 -7.889 -0.732 1.00 0.00 N ATOM 1174 CA PHE A 521 3.239 -7.861 -1.385 1.00 0.00 C ATOM 1175 C PHE A 521 2.651 -9.266 -1.484 1.00 0.00 C ATOM 1176 O PHE A 521 1.570 -9.536 -0.961 1.00 0.00 O ATOM 1177 CB PHE A 521 3.356 -7.246 -2.780 1.00 0.00 C ATOM 1178 CG PHE A 521 2.053 -7.193 -3.524 1.00 0.00 C ATOM 1179 CD1 PHE A 521 1.103 -6.232 -3.217 1.00 0.00 C ATOM 1180 CD2 PHE A 521 1.776 -8.105 -4.530 1.00 0.00 C ATOM 1181 CE1 PHE A 521 -0.098 -6.180 -3.900 1.00 0.00 C ATOM 1182 CE2 PHE A 521 0.578 -8.058 -5.217 1.00 0.00 C ATOM 1183 CZ PHE A 521 -0.361 -7.095 -4.900 1.00 0.00 C ATOM 0 H PHE A 521 5.306 -7.525 -1.301 1.00 0.00 H new ATOM 0 HA PHE A 521 2.571 -7.247 -0.781 1.00 0.00 H new ATOM 0 HB2 PHE A 521 3.755 -6.236 -2.690 1.00 0.00 H new ATOM 0 HB3 PHE A 521 4.075 -7.822 -3.363 1.00 0.00 H new ATOM 0 HD1 PHE A 521 1.303 -5.515 -2.435 1.00 0.00 H new ATOM 0 HD2 PHE A 521 2.505 -8.861 -4.780 1.00 0.00 H new ATOM 0 HE1 PHE A 521 -0.829 -5.425 -3.652 1.00 0.00 H new ATOM 0 HE2 PHE A 521 0.376 -8.773 -6.001 1.00 0.00 H new ATOM 0 HZ PHE A 521 -1.299 -7.058 -5.434 1.00 0.00 H new ATOM 1193 N ASN A 522 3.371 -10.156 -2.159 1.00 0.00 N ATOM 1194 CA ASN A 522 2.920 -11.533 -2.329 1.00 0.00 C ATOM 1195 C ASN A 522 2.948 -12.281 -1.000 1.00 0.00 C ATOM 1196 O ASN A 522 2.003 -12.991 -0.657 1.00 0.00 O ATOM 1197 CB ASN A 522 3.798 -12.256 -3.353 1.00 0.00 C ATOM 1198 CG ASN A 522 5.020 -12.893 -2.720 1.00 0.00 C ATOM 1199 OD1 ASN A 522 4.911 -13.874 -1.985 1.00 0.00 O ATOM 1200 ND2 ASN A 522 6.191 -12.335 -3.002 1.00 0.00 N ATOM 0 H ASN A 522 4.269 -9.949 -2.597 1.00 0.00 H new ATOM 0 HA ASN A 522 1.893 -11.511 -2.692 1.00 0.00 H new ATOM 0 HB2 ASN A 522 3.209 -13.025 -3.854 1.00 0.00 H new ATOM 0 HB3 ASN A 522 4.116 -11.548 -4.119 1.00 0.00 H new ATOM 0 HD21 ASN A 522 7.048 -12.719 -2.604 1.00 0.00 H new ATOM 0 HD22 ASN A 522 6.234 -11.522 -3.617 1.00 0.00 H new ATOM 1207 N ALA A 523 4.037 -12.117 -0.257 1.00 0.00 N ATOM 1208 CA ALA A 523 4.186 -12.775 1.036 1.00 0.00 C ATOM 1209 C ALA A 523 2.946 -12.575 1.900 1.00 0.00 C ATOM 1210 O ALA A 523 2.338 -13.541 2.363 1.00 0.00 O ATOM 1211 CB ALA A 523 5.422 -12.253 1.753 1.00 0.00 C ATOM 0 H ALA A 523 4.829 -11.534 -0.528 1.00 0.00 H new ATOM 0 HA ALA A 523 4.305 -13.844 0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 523 5.522 -12.752 2.717 1.00 0.00 H new ATOM 0 HB2 ALA A 523 6.306 -12.454 1.147 1.00 0.00 H new ATOM 0 HB3 ALA A 523 5.325 -11.179 1.909 1.00 0.00 H new ATOM 1217 N LEU A 524 2.577 -11.317 2.114 1.00 0.00 N ATOM 1218 CA LEU A 524 1.408 -10.991 2.925 1.00 0.00 C ATOM 1219 C LEU A 524 0.119 -11.313 2.176 1.00 0.00 C ATOM 1220 O LEU A 524 -0.747 -12.024 2.689 1.00 0.00 O ATOM 1221 CB LEU A 524 1.429 -9.511 3.312 1.00 0.00 C ATOM 1222 CG LEU A 524 2.507 -9.095 4.314 1.00 0.00 C ATOM 1223 CD1 LEU A 524 2.230 -7.698 4.846 1.00 0.00 C ATOM 1224 CD2 LEU A 524 2.589 -10.097 5.457 1.00 0.00 C ATOM 0 H LEU A 524 3.069 -10.507 1.738 1.00 0.00 H new ATOM 0 HA LEU A 524 1.443 -11.598 3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 524 1.557 -8.921 2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 524 0.455 -9.251 3.727 1.00 0.00 H new ATOM 0 HG LEU A 524 3.468 -9.082 3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 524 3.007 -7.419 5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 524 2.224 -6.988 4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 524 1.260 -7.684 5.344 1.00 0.00 H new ATOM 0 HD21 LEU A 524 3.361 -9.785 6.160 1.00 0.00 H new ATOM 0 HD22 LEU A 524 1.628 -10.143 5.970 1.00 0.00 H new ATOM 0 HD23 LEU A 524 2.836 -11.082 5.061 1.00 0.00 H new ATOM 1236 N CYS A 525 0.000 -10.790 0.961 1.00 0.00 N ATOM 1237 CA CYS A 525 -1.184 -11.024 0.141 1.00 0.00 C ATOM 1238 C CYS A 525 -1.713 -12.440 0.341 1.00 0.00 C ATOM 1239 O CYS A 525 -2.910 -12.643 0.548 1.00 0.00 O ATOM 1240 CB CYS A 525 -0.860 -10.791 -1.336 1.00 0.00 C ATOM 1241 SG CYS A 525 -2.021 -11.576 -2.478 1.00 0.00 S ATOM 0 H CYS A 525 0.708 -10.202 0.522 1.00 0.00 H new ATOM 0 HA CYS A 525 -1.956 -10.320 0.452 1.00 0.00 H new ATOM 0 HB2 CYS A 525 -0.846 -9.718 -1.529 1.00 0.00 H new ATOM 0 HB3 CYS A 525 0.143 -11.165 -1.540 1.00 0.00 H new ATOM 0 HG CYS A 525 -1.665 -11.321 -3.702 1.00 0.00 H new ATOM 1247 N HIS A 526 -0.814 -13.417 0.277 1.00 0.00 N ATOM 1248 CA HIS A 526 -1.191 -14.815 0.450 1.00 0.00 C ATOM 1249 C HIS A 526 -2.202 -14.969 1.583 1.00 0.00 C ATOM 1250 O HIS A 526 -3.372 -15.269 1.347 1.00 0.00 O ATOM 1251 CB HIS A 526 0.046 -15.667 0.736 1.00 0.00 C ATOM 1252 CG HIS A 526 1.125 -15.520 -0.292 1.00 0.00 C ATOM 1253 ND1 HIS A 526 0.868 -15.250 -1.620 1.00 0.00 N ATOM 1254 CD2 HIS A 526 2.471 -15.607 -0.182 1.00 0.00 C ATOM 1255 CE1 HIS A 526 2.009 -15.177 -2.281 1.00 0.00 C ATOM 1256 NE2 HIS A 526 2.997 -15.390 -1.431 1.00 0.00 N ATOM 0 H HIS A 526 0.180 -13.266 0.107 1.00 0.00 H new ATOM 0 HA HIS A 526 -1.653 -15.158 -0.475 1.00 0.00 H new ATOM 0 HB2 HIS A 526 0.446 -15.395 1.713 1.00 0.00 H new ATOM 0 HB3 HIS A 526 -0.250 -16.715 0.793 1.00 0.00 H new ATOM 0 HD2 HIS A 526 3.028 -15.810 0.721 1.00 0.00 H new ATOM 0 HE1 HIS A 526 2.116 -14.977 -3.337 1.00 0.00 H new ATOM 0 HE2 HIS A 526 3.990 -15.393 -1.665 1.00 0.00 H new ATOM 1264 N SER A 527 -1.741 -14.763 2.813 1.00 0.00 N ATOM 1265 CA SER A 527 -2.604 -14.883 3.982 1.00 0.00 C ATOM 1266 C SER A 527 -2.195 -13.888 5.064 1.00 0.00 C ATOM 1267 O SER A 527 -1.178 -14.064 5.735 1.00 0.00 O ATOM 1268 CB SER A 527 -2.550 -16.307 4.537 1.00 0.00 C ATOM 1269 OG SER A 527 -3.147 -17.227 3.640 1.00 0.00 O ATOM 0 H SER A 527 -0.775 -14.512 3.025 1.00 0.00 H new ATOM 0 HA SER A 527 -3.625 -14.659 3.674 1.00 0.00 H new ATOM 0 HB2 SER A 527 -1.513 -16.591 4.718 1.00 0.00 H new ATOM 0 HB3 SER A 527 -3.063 -16.346 5.498 1.00 0.00 H new ATOM 0 HG SER A 527 -3.098 -18.130 4.017 1.00 0.00 H new ATOM 1275 N THR A 528 -2.996 -12.839 5.227 1.00 0.00 N ATOM 1276 CA THR A 528 -2.718 -11.813 6.225 1.00 0.00 C ATOM 1277 C THR A 528 -3.887 -11.655 7.190 1.00 0.00 C ATOM 1278 O THR A 528 -4.851 -10.943 6.903 1.00 0.00 O ATOM 1279 CB THR A 528 -2.423 -10.453 5.566 1.00 0.00 C ATOM 1280 OG1 THR A 528 -1.371 -10.592 4.604 1.00 0.00 O ATOM 1281 CG2 THR A 528 -2.028 -9.420 6.610 1.00 0.00 C ATOM 0 H THR A 528 -3.842 -12.678 4.681 1.00 0.00 H new ATOM 0 HA THR A 528 -1.836 -12.139 6.777 1.00 0.00 H new ATOM 0 HB THR A 528 -3.330 -10.113 5.066 1.00 0.00 H new ATOM 0 HG1 THR A 528 -1.633 -11.248 3.925 1.00 0.00 H new ATOM 0 HG21 THR A 528 -1.824 -8.468 6.121 1.00 0.00 H new ATOM 0 HG22 THR A 528 -2.842 -9.295 7.324 1.00 0.00 H new ATOM 0 HG23 THR A 528 -1.134 -9.757 7.135 1.00 0.00 H new ATOM 1289 N HIS A 529 -3.797 -12.321 8.337 1.00 0.00 N ATOM 1290 CA HIS A 529 -4.848 -12.253 9.346 1.00 0.00 C ATOM 1291 C HIS A 529 -4.490 -11.247 10.436 1.00 0.00 C ATOM 1292 O HIS A 529 -3.494 -11.410 11.143 1.00 0.00 O ATOM 1293 CB HIS A 529 -5.082 -13.631 9.964 1.00 0.00 C ATOM 1294 CG HIS A 529 -5.819 -14.574 9.064 1.00 0.00 C ATOM 1295 ND1 HIS A 529 -5.634 -14.611 7.698 1.00 0.00 N ATOM 1296 CD2 HIS A 529 -6.747 -15.520 9.342 1.00 0.00 C ATOM 1297 CE1 HIS A 529 -6.416 -15.538 7.175 1.00 0.00 C ATOM 1298 NE2 HIS A 529 -7.102 -16.104 8.151 1.00 0.00 N ATOM 0 H HIS A 529 -3.007 -12.914 8.591 1.00 0.00 H new ATOM 0 HA HIS A 529 -5.765 -11.923 8.858 1.00 0.00 H new ATOM 0 HB2 HIS A 529 -4.120 -14.070 10.227 1.00 0.00 H new ATOM 0 HB3 HIS A 529 -5.643 -13.514 10.891 1.00 0.00 H new ATOM 0 HD2 HIS A 529 -7.136 -15.769 10.318 1.00 0.00 H new ATOM 0 HE1 HIS A 529 -6.483 -15.790 6.127 1.00 0.00 H new ATOM 0 HE2 HIS A 529 -7.785 -16.853 8.039 1.00 0.00 H new ATOM 1306 N LEU A 530 -5.307 -10.208 10.566 1.00 0.00 N ATOM 1307 CA LEU A 530 -5.076 -9.175 11.570 1.00 0.00 C ATOM 1308 C LEU A 530 -6.356 -8.868 12.340 1.00 0.00 C ATOM 1309 O LEU A 530 -7.328 -8.366 11.774 1.00 0.00 O ATOM 1310 CB LEU A 530 -4.548 -7.901 10.908 1.00 0.00 C ATOM 1311 CG LEU A 530 -3.906 -6.875 11.842 1.00 0.00 C ATOM 1312 CD1 LEU A 530 -2.480 -7.279 12.181 1.00 0.00 C ATOM 1313 CD2 LEU A 530 -3.935 -5.489 11.213 1.00 0.00 C ATOM 0 H LEU A 530 -6.135 -10.058 9.989 1.00 0.00 H new ATOM 0 HA LEU A 530 -4.331 -9.547 12.273 1.00 0.00 H new ATOM 0 HB2 LEU A 530 -3.814 -8.185 10.154 1.00 0.00 H new ATOM 0 HB3 LEU A 530 -5.373 -7.419 10.384 1.00 0.00 H new ATOM 0 HG LEU A 530 -4.482 -6.845 12.767 1.00 0.00 H new ATOM 0 HD11 LEU A 530 -2.040 -6.536 12.847 1.00 0.00 H new ATOM 0 HD12 LEU A 530 -2.485 -8.251 12.674 1.00 0.00 H new ATOM 0 HD13 LEU A 530 -1.892 -7.340 11.265 1.00 0.00 H new ATOM 0 HD21 LEU A 530 -3.474 -4.772 11.892 1.00 0.00 H new ATOM 0 HD22 LEU A 530 -3.384 -5.505 10.273 1.00 0.00 H new ATOM 0 HD23 LEU A 530 -4.968 -5.197 11.023 1.00 0.00 H new ATOM 1325 N TYR A 531 -6.349 -9.170 13.634 1.00 0.00 N ATOM 1326 CA TYR A 531 -7.510 -8.927 14.482 1.00 0.00 C ATOM 1327 C TYR A 531 -8.740 -9.650 13.942 1.00 0.00 C ATOM 1328 O TYR A 531 -9.824 -9.075 13.853 1.00 0.00 O ATOM 1329 CB TYR A 531 -7.790 -7.426 14.581 1.00 0.00 C ATOM 1330 CG TYR A 531 -6.642 -6.634 15.166 1.00 0.00 C ATOM 1331 CD1 TYR A 531 -6.287 -6.771 16.502 1.00 0.00 C ATOM 1332 CD2 TYR A 531 -5.913 -5.749 14.382 1.00 0.00 C ATOM 1333 CE1 TYR A 531 -5.240 -6.049 17.040 1.00 0.00 C ATOM 1334 CE2 TYR A 531 -4.863 -5.023 14.911 1.00 0.00 C ATOM 1335 CZ TYR A 531 -4.531 -5.176 16.241 1.00 0.00 C ATOM 1336 OH TYR A 531 -3.486 -4.456 16.773 1.00 0.00 O ATOM 0 H TYR A 531 -5.552 -9.583 14.118 1.00 0.00 H new ATOM 0 HA TYR A 531 -7.290 -9.316 15.476 1.00 0.00 H new ATOM 0 HB2 TYR A 531 -8.017 -7.041 13.587 1.00 0.00 H new ATOM 0 HB3 TYR A 531 -8.678 -7.270 15.194 1.00 0.00 H new ATOM 0 HD1 TYR A 531 -6.839 -7.454 17.131 1.00 0.00 H new ATOM 0 HD2 TYR A 531 -6.171 -5.626 13.341 1.00 0.00 H new ATOM 0 HE1 TYR A 531 -4.978 -6.167 18.081 1.00 0.00 H new ATOM 0 HE2 TYR A 531 -4.306 -4.340 14.287 1.00 0.00 H new ATOM 0 HH TYR A 531 -3.072 -4.968 17.499 1.00 0.00 H new ATOM 1346 N GLY A 532 -8.563 -10.918 13.582 1.00 0.00 N ATOM 1347 CA GLY A 532 -9.666 -11.701 13.056 1.00 0.00 C ATOM 1348 C GLY A 532 -10.227 -11.122 11.773 1.00 0.00 C ATOM 1349 O GLY A 532 -11.373 -11.391 11.411 1.00 0.00 O ATOM 0 H GLY A 532 -7.675 -11.417 13.645 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -9.329 -12.721 12.874 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -10.458 -11.756 13.803 1.00 0.00 H new ATOM 1353 N ARG A 533 -9.419 -10.324 11.082 1.00 0.00 N ATOM 1354 CA ARG A 533 -9.843 -9.704 9.833 1.00 0.00 C ATOM 1355 C ARG A 533 -8.753 -9.820 8.771 1.00 0.00 C ATOM 1356 O ARG A 533 -7.609 -9.422 8.995 1.00 0.00 O ATOM 1357 CB ARG A 533 -10.191 -8.232 10.062 1.00 0.00 C ATOM 1358 CG ARG A 533 -11.388 -8.025 10.976 1.00 0.00 C ATOM 1359 CD ARG A 533 -12.131 -6.742 10.639 1.00 0.00 C ATOM 1360 NE ARG A 533 -13.230 -6.486 11.565 1.00 0.00 N ATOM 1361 CZ ARG A 533 -14.377 -7.156 11.547 1.00 0.00 C ATOM 1362 NH1 ARG A 533 -14.574 -8.117 10.655 1.00 0.00 N ATOM 1363 NH2 ARG A 533 -15.331 -6.866 12.423 1.00 0.00 N ATOM 0 H ARG A 533 -8.467 -10.092 11.366 1.00 0.00 H new ATOM 0 HA ARG A 533 -10.730 -10.229 9.479 1.00 0.00 H new ATOM 0 HB2 ARG A 533 -9.326 -7.725 10.490 1.00 0.00 H new ATOM 0 HB3 ARG A 533 -10.393 -7.761 9.100 1.00 0.00 H new ATOM 0 HG2 ARG A 533 -12.066 -8.874 10.887 1.00 0.00 H new ATOM 0 HG3 ARG A 533 -11.054 -7.992 12.013 1.00 0.00 H new ATOM 0 HD2 ARG A 533 -11.435 -5.903 10.662 1.00 0.00 H new ATOM 0 HD3 ARG A 533 -12.521 -6.805 9.623 1.00 0.00 H new ATOM 0 HE ARG A 533 -13.111 -5.753 12.264 1.00 0.00 H new ATOM 0 HH11 ARG A 533 -13.844 -8.344 9.980 1.00 0.00 H new ATOM 0 HH12 ARG A 533 -15.456 -8.630 10.644 1.00 0.00 H new ATOM 0 HH21 ARG A 533 -15.184 -6.128 13.111 1.00 0.00 H new ATOM 0 HH22 ARG A 533 -16.211 -7.381 12.408 1.00 0.00 H new ATOM 1377 N ARG A 534 -9.115 -10.368 7.616 1.00 0.00 N ATOM 1378 CA ARG A 534 -8.168 -10.538 6.521 1.00 0.00 C ATOM 1379 C ARG A 534 -7.911 -9.211 5.813 1.00 0.00 C ATOM 1380 O ARG A 534 -8.799 -8.362 5.722 1.00 0.00 O ATOM 1381 CB ARG A 534 -8.694 -11.569 5.519 1.00 0.00 C ATOM 1382 CG ARG A 534 -7.709 -11.897 4.409 1.00 0.00 C ATOM 1383 CD ARG A 534 -6.690 -12.933 4.857 1.00 0.00 C ATOM 1384 NE ARG A 534 -6.146 -13.688 3.731 1.00 0.00 N ATOM 1385 CZ ARG A 534 -6.855 -14.556 3.017 1.00 0.00 C ATOM 1386 NH1 ARG A 534 -8.129 -14.776 3.311 1.00 0.00 N ATOM 1387 NH2 ARG A 534 -6.290 -15.204 2.007 1.00 0.00 N ATOM 0 H ARG A 534 -10.057 -10.702 7.414 1.00 0.00 H new ATOM 0 HA ARG A 534 -7.227 -10.895 6.940 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -8.946 -12.486 6.052 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -9.617 -11.194 5.076 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -8.250 -12.270 3.539 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -7.193 -10.988 4.098 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -5.877 -12.436 5.387 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -7.158 -13.620 5.562 1.00 0.00 H new ATOM 0 HE ARG A 534 -5.169 -13.541 3.479 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -8.567 -14.279 4.086 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -8.671 -15.443 2.762 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -5.310 -15.036 1.778 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -6.835 -15.870 1.460 1.00 0.00 H new ATOM 1401 N LEU A 535 -6.692 -9.039 5.314 1.00 0.00 N ATOM 1402 CA LEU A 535 -6.317 -7.815 4.615 1.00 0.00 C ATOM 1403 C LEU A 535 -6.123 -8.077 3.124 1.00 0.00 C ATOM 1404 O LEU A 535 -5.491 -9.058 2.733 1.00 0.00 O ATOM 1405 CB LEU A 535 -5.035 -7.235 5.213 1.00 0.00 C ATOM 1406 CG LEU A 535 -5.098 -6.851 6.692 1.00 0.00 C ATOM 1407 CD1 LEU A 535 -3.710 -6.520 7.217 1.00 0.00 C ATOM 1408 CD2 LEU A 535 -6.043 -5.676 6.899 1.00 0.00 C ATOM 0 H LEU A 535 -5.946 -9.732 5.380 1.00 0.00 H new ATOM 0 HA LEU A 535 -7.126 -7.094 4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 535 -4.235 -7.963 5.081 1.00 0.00 H new ATOM 0 HB3 LEU A 535 -4.759 -6.350 4.640 1.00 0.00 H new ATOM 0 HG LEU A 535 -5.482 -7.703 7.252 1.00 0.00 H new ATOM 0 HD11 LEU A 535 -3.775 -6.249 8.271 1.00 0.00 H new ATOM 0 HD12 LEU A 535 -3.062 -7.389 7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 535 -3.297 -5.684 6.652 1.00 0.00 H new ATOM 0 HD21 LEU A 535 -6.075 -5.417 7.957 1.00 0.00 H new ATOM 0 HD22 LEU A 535 -5.689 -4.819 6.326 1.00 0.00 H new ATOM 0 HD23 LEU A 535 -7.043 -5.949 6.562 1.00 0.00 H new ATOM 1420 N VAL A 536 -6.671 -7.192 2.297 1.00 0.00 N ATOM 1421 CA VAL A 536 -6.555 -7.325 0.850 1.00 0.00 C ATOM 1422 C VAL A 536 -5.452 -6.428 0.302 1.00 0.00 C ATOM 1423 O VAL A 536 -5.583 -5.203 0.285 1.00 0.00 O ATOM 1424 CB VAL A 536 -7.881 -6.978 0.147 1.00 0.00 C ATOM 1425 CG1 VAL A 536 -7.702 -6.981 -1.364 1.00 0.00 C ATOM 1426 CG2 VAL A 536 -8.975 -7.949 0.564 1.00 0.00 C ATOM 0 H VAL A 536 -7.199 -6.376 2.605 1.00 0.00 H new ATOM 0 HA VAL A 536 -6.306 -8.367 0.647 1.00 0.00 H new ATOM 0 HB VAL A 536 -8.181 -5.975 0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 536 -8.649 -6.734 -1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 536 -6.951 -6.242 -1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 536 -7.378 -7.969 -1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 536 -9.905 -7.689 0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 536 -8.685 -8.963 0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -9.121 -7.891 1.643 1.00 0.00 H new ATOM 1436 N LEU A 537 -4.364 -7.044 -0.147 1.00 0.00 N ATOM 1437 CA LEU A 537 -3.236 -6.301 -0.698 1.00 0.00 C ATOM 1438 C LEU A 537 -3.372 -6.146 -2.209 1.00 0.00 C ATOM 1439 O LEU A 537 -3.448 -7.133 -2.940 1.00 0.00 O ATOM 1440 CB LEU A 537 -1.922 -7.009 -0.363 1.00 0.00 C ATOM 1441 CG LEU A 537 -1.373 -6.774 1.045 1.00 0.00 C ATOM 1442 CD1 LEU A 537 -2.027 -7.723 2.038 1.00 0.00 C ATOM 1443 CD2 LEU A 537 0.140 -6.939 1.062 1.00 0.00 C ATOM 0 H LEU A 537 -4.239 -8.056 -0.140 1.00 0.00 H new ATOM 0 HA LEU A 537 -3.232 -5.308 -0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -2.064 -8.081 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -1.168 -6.692 -1.083 1.00 0.00 H new ATOM 0 HG LEU A 537 -1.610 -5.752 1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 537 -1.624 -7.541 3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 537 -3.104 -7.556 2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -1.822 -8.753 1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 537 0.513 -6.768 2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 537 0.399 -7.949 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 537 0.592 -6.218 0.381 1.00 0.00 H new ATOM 1455 N GLU A 538 -3.400 -4.899 -2.671 1.00 0.00 N ATOM 1456 CA GLU A 538 -3.525 -4.615 -4.096 1.00 0.00 C ATOM 1457 C GLU A 538 -2.567 -3.504 -4.515 1.00 0.00 C ATOM 1458 O GLU A 538 -2.147 -2.689 -3.694 1.00 0.00 O ATOM 1459 CB GLU A 538 -4.963 -4.218 -4.435 1.00 0.00 C ATOM 1460 CG GLU A 538 -5.875 -5.404 -4.703 1.00 0.00 C ATOM 1461 CD GLU A 538 -5.673 -5.994 -6.085 1.00 0.00 C ATOM 1462 OE1 GLU A 538 -4.542 -5.911 -6.607 1.00 0.00 O ATOM 1463 OE2 GLU A 538 -6.648 -6.540 -6.644 1.00 0.00 O ATOM 0 H GLU A 538 -3.338 -4.070 -2.079 1.00 0.00 H new ATOM 0 HA GLU A 538 -3.267 -5.520 -4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 538 -5.373 -3.634 -3.611 1.00 0.00 H new ATOM 0 HB3 GLU A 538 -4.955 -3.571 -5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 538 -5.693 -6.174 -3.953 1.00 0.00 H new ATOM 0 HG3 GLU A 538 -6.913 -5.091 -4.594 1.00 0.00 H new ATOM 1470 N TRP A 539 -2.225 -3.480 -5.798 1.00 0.00 N ATOM 1471 CA TRP A 539 -1.316 -2.470 -6.328 1.00 0.00 C ATOM 1472 C TRP A 539 -2.059 -1.174 -6.633 1.00 0.00 C ATOM 1473 O TRP A 539 -3.201 -1.197 -7.091 1.00 0.00 O ATOM 1474 CB TRP A 539 -0.627 -2.987 -7.592 1.00 0.00 C ATOM 1475 CG TRP A 539 0.180 -4.229 -7.363 1.00 0.00 C ATOM 1476 CD1 TRP A 539 -0.201 -5.514 -7.625 1.00 0.00 C ATOM 1477 CD2 TRP A 539 1.505 -4.303 -6.823 1.00 0.00 C ATOM 1478 NE1 TRP A 539 0.807 -6.382 -7.281 1.00 0.00 N ATOM 1479 CE2 TRP A 539 1.864 -5.665 -6.787 1.00 0.00 C ATOM 1480 CE3 TRP A 539 2.422 -3.352 -6.369 1.00 0.00 C ATOM 1481 CZ2 TRP A 539 3.100 -6.096 -6.314 1.00 0.00 C ATOM 1482 CZ3 TRP A 539 3.649 -3.781 -5.900 1.00 0.00 C ATOM 1483 CH2 TRP A 539 3.980 -5.143 -5.876 1.00 0.00 C ATOM 0 H TRP A 539 -2.563 -4.148 -6.491 1.00 0.00 H new ATOM 0 HA TRP A 539 -0.561 -2.264 -5.570 1.00 0.00 H new ATOM 0 HB2 TRP A 539 -1.382 -3.188 -8.352 1.00 0.00 H new ATOM 0 HB3 TRP A 539 0.024 -2.207 -7.987 1.00 0.00 H new ATOM 0 HD1 TRP A 539 -1.154 -5.805 -8.041 1.00 0.00 H new ATOM 0 HE1 TRP A 539 0.773 -7.397 -7.378 1.00 0.00 H new ATOM 0 HE3 TRP A 539 2.176 -2.300 -6.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 539 3.356 -7.145 -6.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 539 4.365 -3.054 -5.546 1.00 0.00 H new ATOM 0 HH2 TRP A 539 4.948 -5.446 -5.505 1.00 0.00 H new