USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=11 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 :FLIP amide:sc= -3.64! C(o=-4.7!,f=-4.2!) USER MOD Set 1.2: A 526 HIS : no HD1:sc= -0.543 X(o=-4.2,f=-4.5) USER MOD Single : A 462 SER OG : rot -64:sc= -1.47 USER MOD Single : A 463 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 ASN : amide:sc= 1.13 K(o=1.1,f=-0.92) USER MOD Single : A 472 GLN : amide:sc= -0.0319 K(o=-0.032,f=-1.4!) USER MOD Single : A 474 ASN : amide:sc= -0.106 K(o=-0.11,f=-2.1!) USER MOD Single : A 475 GLN : amide:sc= -0.133 K(o=-0.13,f=-2.9!) USER MOD Single : A 483 SER OG : rot -120:sc= -0.102 USER MOD Single : A 484 THR OG1 : rot 180:sc= 0 USER MOD Single : A 489 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0494) USER MOD Single : A 490 THR OG1 : rot 170:sc= 0 USER MOD Single : A 513 THR OG1 : rot 128:sc= -1.97! USER MOD Single : A 514 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 515 GLN : amide:sc= 0 K(o=0,f=-1.5) 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 525 CYS SG : rot -47:sc= -1.54 USER MOD Single : A 527 SER OG : rot 41:sc= 0.559 USER MOD Single : A 528 THR OG1 : rot 54:sc= 0.755 USER MOD Single : A 529 HIS : no HD1:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 531 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N SER A 462 5.770 0.733 -6.892 1.00 0.00 N ATOM 203 CA SER A 462 5.739 0.082 -5.588 1.00 0.00 C ATOM 204 C SER A 462 4.736 0.766 -4.664 1.00 0.00 C ATOM 205 O SER A 462 5.082 1.689 -3.926 1.00 0.00 O ATOM 206 CB SER A 462 7.130 0.100 -4.952 1.00 0.00 C ATOM 207 OG SER A 462 8.019 -0.759 -5.646 1.00 0.00 O ATOM 0 HA SER A 462 5.427 -0.952 -5.733 1.00 0.00 H new ATOM 0 HB2 SER A 462 7.523 1.117 -4.958 1.00 0.00 H new ATOM 0 HB3 SER A 462 7.061 -0.209 -3.909 1.00 0.00 H new ATOM 0 HG SER A 462 7.709 -1.685 -5.565 1.00 0.00 H new ATOM 213 N LYS A 463 3.490 0.306 -4.709 1.00 0.00 N ATOM 214 CA LYS A 463 2.435 0.870 -3.876 1.00 0.00 C ATOM 215 C LYS A 463 1.506 -0.224 -3.359 1.00 0.00 C ATOM 216 O LYS A 463 0.680 -0.752 -4.103 1.00 0.00 O ATOM 217 CB LYS A 463 1.631 1.905 -4.666 1.00 0.00 C ATOM 218 CG LYS A 463 2.195 3.312 -4.576 1.00 0.00 C ATOM 219 CD LYS A 463 1.106 4.360 -4.725 1.00 0.00 C ATOM 220 CE LYS A 463 0.549 4.388 -6.140 1.00 0.00 C ATOM 221 NZ LYS A 463 -0.411 5.510 -6.336 1.00 0.00 N ATOM 0 H LYS A 463 3.186 -0.457 -5.314 1.00 0.00 H new ATOM 0 HA LYS A 463 2.904 1.358 -3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 463 1.596 1.603 -5.713 1.00 0.00 H new ATOM 0 HB3 LYS A 463 0.604 1.910 -4.301 1.00 0.00 H new ATOM 0 HG2 LYS A 463 2.698 3.443 -3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 463 2.947 3.454 -5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 463 0.301 4.152 -4.020 1.00 0.00 H new ATOM 0 HD3 LYS A 463 1.507 5.341 -4.471 1.00 0.00 H new ATOM 0 HE2 LYS A 463 1.369 4.483 -6.851 1.00 0.00 H new ATOM 0 HE3 LYS A 463 0.051 3.442 -6.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -0.768 5.495 -7.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -1.207 5.406 -5.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 0.071 6.414 -6.158 1.00 0.00 H new ATOM 235 N ILE A 464 1.647 -0.558 -2.080 1.00 0.00 N ATOM 236 CA ILE A 464 0.819 -1.587 -1.465 1.00 0.00 C ATOM 237 C ILE A 464 -0.382 -0.973 -0.752 1.00 0.00 C ATOM 238 O ILE A 464 -0.237 -0.323 0.284 1.00 0.00 O ATOM 239 CB ILE A 464 1.623 -2.430 -0.458 1.00 0.00 C ATOM 240 CG1 ILE A 464 2.877 -3.000 -1.124 1.00 0.00 C ATOM 241 CG2 ILE A 464 0.760 -3.549 0.105 1.00 0.00 C ATOM 242 CD1 ILE A 464 3.886 -3.551 -0.141 1.00 0.00 C ATOM 0 H ILE A 464 2.327 -0.131 -1.451 1.00 0.00 H new ATOM 0 HA ILE A 464 0.470 -2.233 -2.270 1.00 0.00 H new ATOM 0 HB ILE A 464 1.932 -1.787 0.366 1.00 0.00 H new ATOM 0 HG12 ILE A 464 2.584 -3.792 -1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 464 3.350 -2.218 -1.718 1.00 0.00 H new ATOM 0 HG21 ILE A 464 1.343 -4.136 0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 464 -0.105 -3.121 0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 464 0.423 -4.193 -0.708 1.00 0.00 H new ATOM 0 HD11 ILE A 464 4.749 -3.938 -0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 464 4.208 -2.757 0.534 1.00 0.00 H new ATOM 0 HD13 ILE A 464 3.430 -4.355 0.436 1.00 0.00 H new ATOM 254 N LEU A 465 -1.567 -1.184 -1.313 1.00 0.00 N ATOM 255 CA LEU A 465 -2.795 -0.653 -0.730 1.00 0.00 C ATOM 256 C LEU A 465 -3.583 -1.752 -0.026 1.00 0.00 C ATOM 257 O LEU A 465 -4.303 -2.521 -0.664 1.00 0.00 O ATOM 258 CB LEU A 465 -3.658 -0.004 -1.813 1.00 0.00 C ATOM 259 CG LEU A 465 -5.136 0.185 -1.470 1.00 0.00 C ATOM 260 CD1 LEU A 465 -5.305 1.274 -0.422 1.00 0.00 C ATOM 261 CD2 LEU A 465 -5.936 0.518 -2.722 1.00 0.00 C ATOM 0 H LEU A 465 -1.704 -1.719 -2.171 1.00 0.00 H new ATOM 0 HA LEU A 465 -2.521 0.101 0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 465 -3.234 0.971 -2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 465 -3.590 -0.611 -2.716 1.00 0.00 H new ATOM 0 HG LEU A 465 -5.516 -0.750 -1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 465 -6.363 1.395 -0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 465 -4.765 0.995 0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 465 -4.908 2.214 -0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 465 -6.986 0.649 -2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 465 -5.555 1.439 -3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 465 -5.841 -0.295 -3.441 1.00 0.00 H new ATOM 273 N VAL A 466 -3.445 -1.820 1.294 1.00 0.00 N ATOM 274 CA VAL A 466 -4.147 -2.823 2.086 1.00 0.00 C ATOM 275 C VAL A 466 -5.544 -2.345 2.466 1.00 0.00 C ATOM 276 O VAL A 466 -5.701 -1.310 3.114 1.00 0.00 O ATOM 277 CB VAL A 466 -3.369 -3.172 3.369 1.00 0.00 C ATOM 278 CG1 VAL A 466 -2.998 -1.907 4.128 1.00 0.00 C ATOM 279 CG2 VAL A 466 -4.182 -4.111 4.246 1.00 0.00 C ATOM 0 H VAL A 466 -2.853 -1.192 1.838 1.00 0.00 H new ATOM 0 HA VAL A 466 -4.228 -3.715 1.465 1.00 0.00 H new ATOM 0 HB VAL A 466 -2.448 -3.682 3.088 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -2.449 -2.173 5.031 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -2.374 -1.274 3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -3.905 -1.367 4.400 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -3.617 -4.347 5.148 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -5.121 -3.630 4.521 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -4.392 -5.030 3.698 1.00 0.00 H new ATOM 289 N ARG A 467 -6.555 -3.105 2.059 1.00 0.00 N ATOM 290 CA ARG A 467 -7.939 -2.758 2.357 1.00 0.00 C ATOM 291 C ARG A 467 -8.545 -3.743 3.353 1.00 0.00 C ATOM 292 O ARG A 467 -7.930 -4.753 3.693 1.00 0.00 O ATOM 293 CB ARG A 467 -8.770 -2.739 1.072 1.00 0.00 C ATOM 294 CG ARG A 467 -8.770 -1.393 0.366 1.00 0.00 C ATOM 295 CD ARG A 467 -9.234 -1.521 -1.076 1.00 0.00 C ATOM 296 NE ARG A 467 -9.404 -0.218 -1.714 1.00 0.00 N ATOM 297 CZ ARG A 467 -10.424 0.595 -1.463 1.00 0.00 C ATOM 298 NH1 ARG A 467 -11.360 0.241 -0.594 1.00 0.00 N ATOM 299 NH2 ARG A 467 -10.510 1.765 -2.084 1.00 0.00 N ATOM 0 H ARG A 467 -6.442 -3.965 1.522 1.00 0.00 H new ATOM 0 HA ARG A 467 -7.950 -1.764 2.804 1.00 0.00 H new ATOM 0 HB2 ARG A 467 -8.386 -3.497 0.390 1.00 0.00 H new ATOM 0 HB3 ARG A 467 -9.797 -3.015 1.310 1.00 0.00 H new ATOM 0 HG2 ARG A 467 -9.422 -0.701 0.899 1.00 0.00 H new ATOM 0 HG3 ARG A 467 -7.767 -0.968 0.390 1.00 0.00 H new ATOM 0 HD2 ARG A 467 -8.509 -2.109 -1.639 1.00 0.00 H new ATOM 0 HD3 ARG A 467 -10.178 -2.065 -1.106 1.00 0.00 H new ATOM 0 HE ARG A 467 -8.701 0.084 -2.389 1.00 0.00 H new ATOM 0 HH11 ARG A 467 -11.298 -0.658 -0.116 1.00 0.00 H new ATOM 0 HH12 ARG A 467 -12.142 0.867 -0.403 1.00 0.00 H new ATOM 0 HH21 ARG A 467 -9.792 2.040 -2.755 1.00 0.00 H new ATOM 0 HH22 ARG A 467 -11.294 2.389 -1.891 1.00 0.00 H new ATOM 313 N ASN A 468 -9.753 -3.440 3.816 1.00 0.00 N ATOM 314 CA ASN A 468 -10.442 -4.299 4.773 1.00 0.00 C ATOM 315 C ASN A 468 -9.666 -4.383 6.084 1.00 0.00 C ATOM 316 O ASN A 468 -9.537 -5.456 6.673 1.00 0.00 O ATOM 317 CB ASN A 468 -10.631 -5.700 4.189 1.00 0.00 C ATOM 318 CG ASN A 468 -11.837 -6.411 4.773 1.00 0.00 C ATOM 319 OD1 ASN A 468 -12.962 -5.918 4.692 1.00 0.00 O ATOM 320 ND2 ASN A 468 -11.607 -7.577 5.366 1.00 0.00 N ATOM 0 H ASN A 468 -10.275 -2.607 3.545 1.00 0.00 H new ATOM 0 HA ASN A 468 -11.420 -3.863 4.977 1.00 0.00 H new ATOM 0 HB2 ASN A 468 -10.744 -5.628 3.107 1.00 0.00 H new ATOM 0 HB3 ASN A 468 -9.736 -6.293 4.377 1.00 0.00 H new ATOM 0 HD21 ASN A 468 -12.379 -8.101 5.777 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -10.658 -7.948 5.410 1.00 0.00 H new ATOM 327 N ILE A 469 -9.151 -3.243 6.535 1.00 0.00 N ATOM 328 CA ILE A 469 -8.389 -3.188 7.776 1.00 0.00 C ATOM 329 C ILE A 469 -9.304 -2.946 8.972 1.00 0.00 C ATOM 330 O ILE A 469 -10.208 -2.111 8.935 1.00 0.00 O ATOM 331 CB ILE A 469 -7.319 -2.082 7.731 1.00 0.00 C ATOM 332 CG1 ILE A 469 -6.485 -2.200 6.454 1.00 0.00 C ATOM 333 CG2 ILE A 469 -6.427 -2.157 8.961 1.00 0.00 C ATOM 334 CD1 ILE A 469 -5.536 -1.042 6.242 1.00 0.00 C ATOM 0 H ILE A 469 -9.248 -2.346 6.059 1.00 0.00 H new ATOM 0 HA ILE A 469 -7.897 -4.154 7.887 1.00 0.00 H new ATOM 0 HB ILE A 469 -7.819 -1.114 7.728 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -5.912 -3.127 6.488 1.00 0.00 H new ATOM 0 HG13 ILE A 469 -7.155 -2.271 5.597 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -5.676 -1.369 8.914 1.00 0.00 H new ATOM 0 HG22 ILE A 469 -7.033 -2.028 9.858 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -5.933 -3.128 8.993 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -4.978 -1.193 5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -6.104 -0.114 6.175 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -4.841 -0.983 7.080 1.00 0.00 H new ATOM 346 N PRO A 470 -9.065 -3.692 10.061 1.00 0.00 N ATOM 347 CA PRO A 470 -9.855 -3.576 11.290 1.00 0.00 C ATOM 348 C PRO A 470 -9.605 -2.259 12.017 1.00 0.00 C ATOM 349 O PRO A 470 -8.479 -1.763 12.054 1.00 0.00 O ATOM 350 CB PRO A 470 -9.370 -4.755 12.137 1.00 0.00 C ATOM 351 CG PRO A 470 -7.992 -5.034 11.643 1.00 0.00 C ATOM 352 CD PRO A 470 -8.004 -4.707 10.176 1.00 0.00 C ATOM 0 HA PRO A 470 -10.926 -3.591 11.089 1.00 0.00 H new ATOM 0 HB2 PRO A 470 -9.367 -4.506 13.198 1.00 0.00 H new ATOM 0 HB3 PRO A 470 -10.018 -5.623 12.015 1.00 0.00 H new ATOM 0 HG2 PRO A 470 -7.257 -4.427 12.172 1.00 0.00 H new ATOM 0 HG3 PRO A 470 -7.722 -6.077 11.808 1.00 0.00 H new ATOM 0 HD2 PRO A 470 -7.041 -4.321 9.843 1.00 0.00 H new ATOM 0 HD3 PRO A 470 -8.222 -5.586 9.570 1.00 0.00 H new ATOM 360 N PHE A 471 -10.662 -1.697 12.595 1.00 0.00 N ATOM 361 CA PHE A 471 -10.556 -0.437 13.321 1.00 0.00 C ATOM 362 C PHE A 471 -9.351 -0.448 14.256 1.00 0.00 C ATOM 363 O PHE A 471 -8.622 0.539 14.356 1.00 0.00 O ATOM 364 CB PHE A 471 -11.834 -0.177 14.121 1.00 0.00 C ATOM 365 CG PHE A 471 -11.725 0.989 15.062 1.00 0.00 C ATOM 366 CD1 PHE A 471 -11.848 2.288 14.594 1.00 0.00 C ATOM 367 CD2 PHE A 471 -11.501 0.787 16.414 1.00 0.00 C ATOM 368 CE1 PHE A 471 -11.747 3.362 15.457 1.00 0.00 C ATOM 369 CE2 PHE A 471 -11.400 1.857 17.282 1.00 0.00 C ATOM 370 CZ PHE A 471 -11.524 3.146 16.803 1.00 0.00 C ATOM 0 H PHE A 471 -11.601 -2.094 12.575 1.00 0.00 H new ATOM 0 HA PHE A 471 -10.421 0.363 12.593 1.00 0.00 H new ATOM 0 HB2 PHE A 471 -12.657 0.001 13.429 1.00 0.00 H new ATOM 0 HB3 PHE A 471 -12.085 -1.072 14.691 1.00 0.00 H new ATOM 0 HD1 PHE A 471 -12.025 2.462 13.543 1.00 0.00 H new ATOM 0 HD2 PHE A 471 -11.404 -0.219 16.794 1.00 0.00 H new ATOM 0 HE1 PHE A 471 -11.842 4.369 15.080 1.00 0.00 H new ATOM 0 HE2 PHE A 471 -11.224 1.685 18.334 1.00 0.00 H new ATOM 0 HZ PHE A 471 -11.447 3.984 17.480 1.00 0.00 H new ATOM 380 N GLN A 472 -9.148 -1.570 14.938 1.00 0.00 N ATOM 381 CA GLN A 472 -8.032 -1.708 15.866 1.00 0.00 C ATOM 382 C GLN A 472 -6.710 -1.378 15.181 1.00 0.00 C ATOM 383 O GLN A 472 -5.856 -0.701 15.753 1.00 0.00 O ATOM 384 CB GLN A 472 -7.985 -3.129 16.432 1.00 0.00 C ATOM 385 CG GLN A 472 -9.202 -3.491 17.269 1.00 0.00 C ATOM 386 CD GLN A 472 -9.190 -2.829 18.633 1.00 0.00 C ATOM 387 OE1 GLN A 472 -8.137 -2.437 19.137 1.00 0.00 O ATOM 388 NE2 GLN A 472 -10.365 -2.700 19.239 1.00 0.00 N ATOM 0 H GLN A 472 -9.741 -2.396 14.866 1.00 0.00 H new ATOM 0 HA GLN A 472 -8.183 -1.003 16.683 1.00 0.00 H new ATOM 0 HB2 GLN A 472 -7.898 -3.837 15.608 1.00 0.00 H new ATOM 0 HB3 GLN A 472 -7.089 -3.239 17.043 1.00 0.00 H new ATOM 0 HG2 GLN A 472 -10.106 -3.198 16.735 1.00 0.00 H new ATOM 0 HG3 GLN A 472 -9.243 -4.573 17.395 1.00 0.00 H new ATOM 0 HE21 GLN A 472 -11.213 -3.039 18.785 1.00 0.00 H new ATOM 0 HE22 GLN A 472 -10.419 -2.262 20.158 1.00 0.00 H new ATOM 397 N ALA A 473 -6.549 -1.860 13.953 1.00 0.00 N ATOM 398 CA ALA A 473 -5.332 -1.614 13.190 1.00 0.00 C ATOM 399 C ALA A 473 -4.952 -0.138 13.223 1.00 0.00 C ATOM 400 O ALA A 473 -5.775 0.731 12.939 1.00 0.00 O ATOM 401 CB ALA A 473 -5.506 -2.084 11.753 1.00 0.00 C ATOM 0 H ALA A 473 -7.246 -2.423 13.466 1.00 0.00 H new ATOM 0 HA ALA A 473 -4.523 -2.181 13.651 1.00 0.00 H new ATOM 0 HB1 ALA A 473 -4.589 -1.894 11.195 1.00 0.00 H new ATOM 0 HB2 ALA A 473 -5.722 -3.152 11.743 1.00 0.00 H new ATOM 0 HB3 ALA A 473 -6.331 -1.543 11.291 1.00 0.00 H new ATOM 407 N ASN A 474 -3.700 0.139 13.572 1.00 0.00 N ATOM 408 CA ASN A 474 -3.211 1.511 13.643 1.00 0.00 C ATOM 409 C ASN A 474 -1.939 1.679 12.819 1.00 0.00 C ATOM 410 O ASN A 474 -1.277 0.700 12.475 1.00 0.00 O ATOM 411 CB ASN A 474 -2.946 1.905 15.098 1.00 0.00 C ATOM 412 CG ASN A 474 -4.201 2.375 15.808 1.00 0.00 C ATOM 413 OD1 ASN A 474 -5.189 2.738 15.170 1.00 0.00 O ATOM 414 ND2 ASN A 474 -4.166 2.371 17.135 1.00 0.00 N ATOM 0 H ASN A 474 -3.005 -0.569 13.810 1.00 0.00 H new ATOM 0 HA ASN A 474 -3.978 2.166 13.230 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -2.528 1.052 15.632 1.00 0.00 H new ATOM 0 HB3 ASN A 474 -2.198 2.697 15.126 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -4.980 2.677 17.668 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -3.325 2.062 17.622 1.00 0.00 H new ATOM 421 N GLN A 475 -1.604 2.927 12.506 1.00 0.00 N ATOM 422 CA GLN A 475 -0.411 3.223 11.721 1.00 0.00 C ATOM 423 C GLN A 475 0.758 2.344 12.155 1.00 0.00 C ATOM 424 O GLN A 475 1.214 1.485 11.401 1.00 0.00 O ATOM 425 CB GLN A 475 -0.034 4.699 11.863 1.00 0.00 C ATOM 426 CG GLN A 475 -1.101 5.651 11.348 1.00 0.00 C ATOM 427 CD GLN A 475 -2.096 6.049 12.420 1.00 0.00 C ATOM 428 OE1 GLN A 475 -3.124 5.397 12.602 1.00 0.00 O ATOM 429 NE2 GLN A 475 -1.794 7.125 13.138 1.00 0.00 N ATOM 0 H GLN A 475 -2.141 3.748 12.784 1.00 0.00 H new ATOM 0 HA GLN A 475 -0.633 3.011 10.675 1.00 0.00 H new ATOM 0 HB2 GLN A 475 0.159 4.917 12.913 1.00 0.00 H new ATOM 0 HB3 GLN A 475 0.895 4.882 11.323 1.00 0.00 H new ATOM 0 HG2 GLN A 475 -0.622 6.547 10.952 1.00 0.00 H new ATOM 0 HG3 GLN A 475 -1.633 5.181 10.521 1.00 0.00 H new ATOM 0 HE21 GLN A 475 -0.931 7.636 12.953 1.00 0.00 H new ATOM 0 HE22 GLN A 475 -2.425 7.440 13.874 1.00 0.00 H new ATOM 438 N ARG A 476 1.237 2.565 13.375 1.00 0.00 N ATOM 439 CA ARG A 476 2.354 1.794 13.908 1.00 0.00 C ATOM 440 C ARG A 476 2.197 0.312 13.580 1.00 0.00 C ATOM 441 O ARG A 476 3.183 -0.393 13.368 1.00 0.00 O ATOM 442 CB ARG A 476 2.456 1.984 15.422 1.00 0.00 C ATOM 443 CG ARG A 476 3.203 3.244 15.829 1.00 0.00 C ATOM 444 CD ARG A 476 3.161 3.454 17.335 1.00 0.00 C ATOM 445 NE ARG A 476 1.794 3.568 17.834 1.00 0.00 N ATOM 446 CZ ARG A 476 1.494 3.824 19.103 1.00 0.00 C ATOM 447 NH1 ARG A 476 2.460 3.994 19.995 1.00 0.00 N ATOM 448 NH2 ARG A 476 0.225 3.913 19.481 1.00 0.00 N ATOM 0 H ARG A 476 0.869 3.271 14.013 1.00 0.00 H new ATOM 0 HA ARG A 476 3.269 2.157 13.441 1.00 0.00 H new ATOM 0 HB2 ARG A 476 1.452 2.015 15.844 1.00 0.00 H new ATOM 0 HB3 ARG A 476 2.957 1.119 15.855 1.00 0.00 H new ATOM 0 HG2 ARG A 476 4.240 3.177 15.499 1.00 0.00 H new ATOM 0 HG3 ARG A 476 2.764 4.107 15.328 1.00 0.00 H new ATOM 0 HD2 ARG A 476 3.660 2.621 17.831 1.00 0.00 H new ATOM 0 HD3 ARG A 476 3.717 4.356 17.591 1.00 0.00 H new ATOM 0 HE ARG A 476 1.027 3.444 17.173 1.00 0.00 H new ATOM 0 HH11 ARG A 476 3.437 3.928 19.708 1.00 0.00 H new ATOM 0 HH12 ARG A 476 2.227 4.190 20.968 1.00 0.00 H new ATOM 0 HH21 ARG A 476 -0.521 3.785 18.797 1.00 0.00 H new ATOM 0 HH22 ARG A 476 -0.004 4.110 20.455 1.00 0.00 H new ATOM 462 N GLU A 477 0.952 -0.152 13.541 1.00 0.00 N ATOM 463 CA GLU A 477 0.667 -1.550 13.241 1.00 0.00 C ATOM 464 C GLU A 477 1.116 -1.904 11.826 1.00 0.00 C ATOM 465 O GLU A 477 1.879 -2.849 11.624 1.00 0.00 O ATOM 466 CB GLU A 477 -0.828 -1.835 13.400 1.00 0.00 C ATOM 467 CG GLU A 477 -1.141 -3.290 13.704 1.00 0.00 C ATOM 468 CD GLU A 477 -0.673 -4.228 12.608 1.00 0.00 C ATOM 469 OE1 GLU A 477 -0.992 -3.970 11.429 1.00 0.00 O ATOM 470 OE2 GLU A 477 0.012 -5.221 12.931 1.00 0.00 O ATOM 0 H GLU A 477 0.125 0.420 13.713 1.00 0.00 H new ATOM 0 HA GLU A 477 1.223 -2.167 13.946 1.00 0.00 H new ATOM 0 HB2 GLU A 477 -1.225 -1.212 14.201 1.00 0.00 H new ATOM 0 HB3 GLU A 477 -1.344 -1.545 12.485 1.00 0.00 H new ATOM 0 HG2 GLU A 477 -0.667 -3.571 14.645 1.00 0.00 H new ATOM 0 HG3 GLU A 477 -2.216 -3.406 13.842 1.00 0.00 H new ATOM 477 N ILE A 478 0.635 -1.141 10.850 1.00 0.00 N ATOM 478 CA ILE A 478 0.987 -1.373 9.455 1.00 0.00 C ATOM 479 C ILE A 478 2.456 -1.054 9.197 1.00 0.00 C ATOM 480 O ILE A 478 3.126 -1.746 8.431 1.00 0.00 O ATOM 481 CB ILE A 478 0.116 -0.529 8.507 1.00 0.00 C ATOM 482 CG1 ILE A 478 -1.361 -0.655 8.887 1.00 0.00 C ATOM 483 CG2 ILE A 478 0.335 -0.957 7.063 1.00 0.00 C ATOM 484 CD1 ILE A 478 -1.910 -2.054 8.721 1.00 0.00 C ATOM 0 H ILE A 478 0.000 -0.357 11.000 1.00 0.00 H new ATOM 0 HA ILE A 478 0.807 -2.430 9.256 1.00 0.00 H new ATOM 0 HB ILE A 478 0.409 0.516 8.604 1.00 0.00 H new ATOM 0 HG12 ILE A 478 -1.489 -0.344 9.924 1.00 0.00 H new ATOM 0 HG13 ILE A 478 -1.945 0.031 8.274 1.00 0.00 H new ATOM 0 HG21 ILE A 478 -0.288 -0.351 6.405 1.00 0.00 H new ATOM 0 HG22 ILE A 478 1.383 -0.820 6.798 1.00 0.00 H new ATOM 0 HG23 ILE A 478 0.067 -2.007 6.950 1.00 0.00 H new ATOM 0 HD11 ILE A 478 -2.961 -2.069 9.009 1.00 0.00 H new ATOM 0 HD12 ILE A 478 -1.814 -2.361 7.680 1.00 0.00 H new ATOM 0 HD13 ILE A 478 -1.351 -2.742 9.355 1.00 0.00 H new ATOM 496 N ARG A 479 2.949 -0.004 9.844 1.00 0.00 N ATOM 497 CA ARG A 479 4.339 0.407 9.686 1.00 0.00 C ATOM 498 C ARG A 479 5.284 -0.769 9.920 1.00 0.00 C ATOM 499 O ARG A 479 6.066 -1.133 9.043 1.00 0.00 O ATOM 500 CB ARG A 479 4.672 1.542 10.656 1.00 0.00 C ATOM 501 CG ARG A 479 5.671 2.544 10.101 1.00 0.00 C ATOM 502 CD ARG A 479 6.864 1.847 9.465 1.00 0.00 C ATOM 503 NE ARG A 479 7.805 1.351 10.465 1.00 0.00 N ATOM 504 CZ ARG A 479 9.097 1.158 10.226 1.00 0.00 C ATOM 505 NH1 ARG A 479 9.599 1.418 9.027 1.00 0.00 N ATOM 506 NH2 ARG A 479 9.890 0.703 11.188 1.00 0.00 N ATOM 0 H ARG A 479 2.407 0.578 10.483 1.00 0.00 H new ATOM 0 HA ARG A 479 4.472 0.761 8.664 1.00 0.00 H new ATOM 0 HB2 ARG A 479 3.753 2.066 10.919 1.00 0.00 H new ATOM 0 HB3 ARG A 479 5.071 1.116 11.577 1.00 0.00 H new ATOM 0 HG2 ARG A 479 5.181 3.177 9.361 1.00 0.00 H new ATOM 0 HG3 ARG A 479 6.015 3.198 10.902 1.00 0.00 H new ATOM 0 HD2 ARG A 479 6.514 1.016 8.853 1.00 0.00 H new ATOM 0 HD3 ARG A 479 7.376 2.541 8.798 1.00 0.00 H new ATOM 0 HE ARG A 479 7.451 1.141 11.398 1.00 0.00 H new ATOM 0 HH11 ARG A 479 8.993 1.767 8.285 1.00 0.00 H new ATOM 0 HH12 ARG A 479 10.592 1.269 8.846 1.00 0.00 H new ATOM 0 HH21 ARG A 479 9.507 0.501 12.112 1.00 0.00 H new ATOM 0 HH22 ARG A 479 10.882 0.555 11.004 1.00 0.00 H new ATOM 520 N GLU A 480 5.203 -1.358 11.109 1.00 0.00 N ATOM 521 CA GLU A 480 6.052 -2.492 11.458 1.00 0.00 C ATOM 522 C GLU A 480 5.644 -3.737 10.677 1.00 0.00 C ATOM 523 O GLU A 480 6.476 -4.595 10.375 1.00 0.00 O ATOM 524 CB GLU A 480 5.976 -2.771 12.961 1.00 0.00 C ATOM 525 CG GLU A 480 4.566 -3.046 13.457 1.00 0.00 C ATOM 526 CD GLU A 480 4.378 -2.673 14.915 1.00 0.00 C ATOM 527 OE1 GLU A 480 4.583 -1.489 15.256 1.00 0.00 O ATOM 528 OE2 GLU A 480 4.026 -3.565 15.715 1.00 0.00 O ATOM 0 H GLU A 480 4.559 -1.070 11.846 1.00 0.00 H new ATOM 0 HA GLU A 480 7.079 -2.239 11.194 1.00 0.00 H new ATOM 0 HB2 GLU A 480 6.608 -3.627 13.196 1.00 0.00 H new ATOM 0 HB3 GLU A 480 6.383 -1.916 13.502 1.00 0.00 H new ATOM 0 HG2 GLU A 480 3.855 -2.487 12.848 1.00 0.00 H new ATOM 0 HG3 GLU A 480 4.338 -4.103 13.324 1.00 0.00 H new ATOM 535 N LEU A 481 4.360 -3.831 10.352 1.00 0.00 N ATOM 536 CA LEU A 481 3.840 -4.971 9.605 1.00 0.00 C ATOM 537 C LEU A 481 4.583 -5.142 8.284 1.00 0.00 C ATOM 538 O LEU A 481 4.937 -6.257 7.899 1.00 0.00 O ATOM 539 CB LEU A 481 2.343 -4.795 9.343 1.00 0.00 C ATOM 540 CG LEU A 481 1.631 -5.983 8.696 1.00 0.00 C ATOM 541 CD1 LEU A 481 1.423 -7.097 9.711 1.00 0.00 C ATOM 542 CD2 LEU A 481 0.300 -5.547 8.100 1.00 0.00 C ATOM 0 H LEU A 481 3.659 -3.131 10.594 1.00 0.00 H new ATOM 0 HA LEU A 481 3.994 -5.868 10.205 1.00 0.00 H new ATOM 0 HB2 LEU A 481 1.852 -4.575 10.291 1.00 0.00 H new ATOM 0 HB3 LEU A 481 2.206 -3.923 8.703 1.00 0.00 H new ATOM 0 HG LEU A 481 2.259 -6.365 7.891 1.00 0.00 H new ATOM 0 HD11 LEU A 481 0.915 -7.935 9.233 1.00 0.00 H new ATOM 0 HD12 LEU A 481 2.389 -7.428 10.091 1.00 0.00 H new ATOM 0 HD13 LEU A 481 0.815 -6.728 10.537 1.00 0.00 H new ATOM 0 HD21 LEU A 481 -0.193 -6.405 7.644 1.00 0.00 H new ATOM 0 HD22 LEU A 481 -0.335 -5.140 8.887 1.00 0.00 H new ATOM 0 HD23 LEU A 481 0.474 -4.783 7.342 1.00 0.00 H new ATOM 554 N PHE A 482 4.819 -4.030 7.596 1.00 0.00 N ATOM 555 CA PHE A 482 5.522 -4.057 6.318 1.00 0.00 C ATOM 556 C PHE A 482 7.016 -3.817 6.515 1.00 0.00 C ATOM 557 O PHE A 482 7.848 -4.520 5.942 1.00 0.00 O ATOM 558 CB PHE A 482 4.944 -3.001 5.373 1.00 0.00 C ATOM 559 CG PHE A 482 3.627 -3.394 4.769 1.00 0.00 C ATOM 560 CD1 PHE A 482 3.574 -4.279 3.704 1.00 0.00 C ATOM 561 CD2 PHE A 482 2.440 -2.879 5.266 1.00 0.00 C ATOM 562 CE1 PHE A 482 2.363 -4.641 3.146 1.00 0.00 C ATOM 563 CE2 PHE A 482 1.226 -3.238 4.713 1.00 0.00 C ATOM 564 CZ PHE A 482 1.187 -4.121 3.651 1.00 0.00 C ATOM 0 H PHE A 482 4.534 -3.099 7.901 1.00 0.00 H new ATOM 0 HA PHE A 482 5.386 -5.044 5.876 1.00 0.00 H new ATOM 0 HB2 PHE A 482 4.820 -2.066 5.919 1.00 0.00 H new ATOM 0 HB3 PHE A 482 5.659 -2.811 4.573 1.00 0.00 H new ATOM 0 HD1 PHE A 482 4.490 -4.690 3.306 1.00 0.00 H new ATOM 0 HD2 PHE A 482 2.464 -2.188 6.096 1.00 0.00 H new ATOM 0 HE1 PHE A 482 2.336 -5.330 2.315 1.00 0.00 H new ATOM 0 HE2 PHE A 482 0.309 -2.829 5.110 1.00 0.00 H new ATOM 0 HZ PHE A 482 0.239 -4.404 3.217 1.00 0.00 H new ATOM 574 N SER A 483 7.348 -2.820 7.328 1.00 0.00 N ATOM 575 CA SER A 483 8.741 -2.484 7.597 1.00 0.00 C ATOM 576 C SER A 483 9.564 -3.743 7.852 1.00 0.00 C ATOM 577 O SER A 483 10.726 -3.831 7.456 1.00 0.00 O ATOM 578 CB SER A 483 8.838 -1.545 8.801 1.00 0.00 C ATOM 579 OG SER A 483 10.164 -1.488 9.298 1.00 0.00 O ATOM 0 H SER A 483 6.671 -2.230 7.812 1.00 0.00 H new ATOM 0 HA SER A 483 9.143 -1.980 6.719 1.00 0.00 H new ATOM 0 HB2 SER A 483 8.511 -0.546 8.514 1.00 0.00 H new ATOM 0 HB3 SER A 483 8.166 -1.887 9.588 1.00 0.00 H new ATOM 0 HG SER A 483 10.177 -1.789 10.231 1.00 0.00 H new ATOM 585 N THR A 484 8.952 -4.717 8.519 1.00 0.00 N ATOM 586 CA THR A 484 9.626 -5.972 8.829 1.00 0.00 C ATOM 587 C THR A 484 10.394 -6.496 7.622 1.00 0.00 C ATOM 588 O THR A 484 11.531 -6.952 7.747 1.00 0.00 O ATOM 589 CB THR A 484 8.626 -7.047 9.294 1.00 0.00 C ATOM 590 OG1 THR A 484 9.319 -8.264 9.593 1.00 0.00 O ATOM 591 CG2 THR A 484 7.574 -7.305 8.226 1.00 0.00 C ATOM 0 H THR A 484 7.991 -4.661 8.855 1.00 0.00 H new ATOM 0 HA THR A 484 10.326 -5.763 9.638 1.00 0.00 H new ATOM 0 HB THR A 484 8.127 -6.684 10.192 1.00 0.00 H new ATOM 0 HG1 THR A 484 8.676 -8.942 9.889 1.00 0.00 H new ATOM 0 HG21 THR A 484 6.879 -8.068 8.577 1.00 0.00 H new ATOM 0 HG22 THR A 484 7.029 -6.383 8.022 1.00 0.00 H new ATOM 0 HG23 THR A 484 8.059 -7.649 7.313 1.00 0.00 H new ATOM 599 N PHE A 485 9.767 -6.429 6.452 1.00 0.00 N ATOM 600 CA PHE A 485 10.392 -6.898 5.221 1.00 0.00 C ATOM 601 C PHE A 485 11.570 -6.008 4.836 1.00 0.00 C ATOM 602 O PHE A 485 12.577 -6.483 4.314 1.00 0.00 O ATOM 603 CB PHE A 485 9.369 -6.930 4.084 1.00 0.00 C ATOM 604 CG PHE A 485 8.346 -8.020 4.228 1.00 0.00 C ATOM 605 CD1 PHE A 485 7.261 -7.863 5.075 1.00 0.00 C ATOM 606 CD2 PHE A 485 8.470 -9.202 3.516 1.00 0.00 C ATOM 607 CE1 PHE A 485 6.319 -8.865 5.210 1.00 0.00 C ATOM 608 CE2 PHE A 485 7.531 -10.208 3.647 1.00 0.00 C ATOM 609 CZ PHE A 485 6.453 -10.039 4.494 1.00 0.00 C ATOM 0 H PHE A 485 8.826 -6.054 6.331 1.00 0.00 H new ATOM 0 HA PHE A 485 10.764 -7.908 5.394 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.859 -5.968 4.038 1.00 0.00 H new ATOM 0 HB3 PHE A 485 9.894 -7.058 3.137 1.00 0.00 H new ATOM 0 HD1 PHE A 485 7.150 -6.947 5.636 1.00 0.00 H new ATOM 0 HD2 PHE A 485 9.310 -9.339 2.851 1.00 0.00 H new ATOM 0 HE1 PHE A 485 5.479 -8.730 5.875 1.00 0.00 H new ATOM 0 HE2 PHE A 485 7.640 -11.125 3.088 1.00 0.00 H new ATOM 0 HZ PHE A 485 5.717 -10.823 4.596 1.00 0.00 H new ATOM 619 N GLY A 486 11.435 -4.711 5.098 1.00 0.00 N ATOM 620 CA GLY A 486 12.494 -3.774 4.772 1.00 0.00 C ATOM 621 C GLY A 486 12.095 -2.335 5.032 1.00 0.00 C ATOM 622 O GLY A 486 10.984 -2.065 5.487 1.00 0.00 O ATOM 0 H GLY A 486 10.611 -4.293 5.530 1.00 0.00 H new ATOM 0 HA2 GLY A 486 13.381 -4.014 5.359 1.00 0.00 H new ATOM 0 HA3 GLY A 486 12.766 -3.889 3.723 1.00 0.00 H new ATOM 626 N GLU A 487 13.004 -1.409 4.745 1.00 0.00 N ATOM 627 CA GLU A 487 12.741 0.010 4.954 1.00 0.00 C ATOM 628 C GLU A 487 11.549 0.471 4.120 1.00 0.00 C ATOM 629 O GLU A 487 11.359 0.025 2.988 1.00 0.00 O ATOM 630 CB GLU A 487 13.978 0.838 4.597 1.00 0.00 C ATOM 631 CG GLU A 487 13.866 2.301 4.995 1.00 0.00 C ATOM 632 CD GLU A 487 14.202 2.536 6.454 1.00 0.00 C ATOM 633 OE1 GLU A 487 15.250 2.032 6.910 1.00 0.00 O ATOM 634 OE2 GLU A 487 13.418 3.223 7.141 1.00 0.00 O ATOM 0 H GLU A 487 13.929 -1.616 4.367 1.00 0.00 H new ATOM 0 HA GLU A 487 12.504 0.159 6.008 1.00 0.00 H new ATOM 0 HB2 GLU A 487 14.850 0.403 5.086 1.00 0.00 H new ATOM 0 HB3 GLU A 487 14.150 0.774 3.523 1.00 0.00 H new ATOM 0 HG2 GLU A 487 14.534 2.895 4.372 1.00 0.00 H new ATOM 0 HG3 GLU A 487 12.852 2.650 4.799 1.00 0.00 H new ATOM 641 N LEU A 488 10.748 1.365 4.689 1.00 0.00 N ATOM 642 CA LEU A 488 9.573 1.887 4.000 1.00 0.00 C ATOM 643 C LEU A 488 9.796 3.330 3.558 1.00 0.00 C ATOM 644 O LEU A 488 10.637 4.037 4.114 1.00 0.00 O ATOM 645 CB LEU A 488 8.345 1.804 4.909 1.00 0.00 C ATOM 646 CG LEU A 488 7.781 0.403 5.148 1.00 0.00 C ATOM 647 CD1 LEU A 488 6.675 0.445 6.192 1.00 0.00 C ATOM 648 CD2 LEU A 488 7.265 -0.194 3.846 1.00 0.00 C ATOM 0 H LEU A 488 10.891 1.743 5.625 1.00 0.00 H new ATOM 0 HA LEU A 488 9.403 1.277 3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 488 8.602 2.240 5.874 1.00 0.00 H new ATOM 0 HB3 LEU A 488 7.557 2.423 4.479 1.00 0.00 H new ATOM 0 HG LEU A 488 8.584 -0.232 5.523 1.00 0.00 H new ATOM 0 HD11 LEU A 488 6.285 -0.561 6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 488 7.075 0.830 7.130 1.00 0.00 H new ATOM 0 HD13 LEU A 488 5.872 1.095 5.845 1.00 0.00 H new ATOM 0 HD21 LEU A 488 6.867 -1.191 4.035 1.00 0.00 H new ATOM 0 HD22 LEU A 488 6.476 0.441 3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 488 8.082 -0.260 3.127 1.00 0.00 H new ATOM 660 N LYS A 489 9.038 3.761 2.556 1.00 0.00 N ATOM 661 CA LYS A 489 9.149 5.120 2.041 1.00 0.00 C ATOM 662 C LYS A 489 8.250 6.073 2.822 1.00 0.00 C ATOM 663 O LYS A 489 8.671 7.163 3.211 1.00 0.00 O ATOM 664 CB LYS A 489 8.782 5.157 0.556 1.00 0.00 C ATOM 665 CG LYS A 489 9.966 4.940 -0.369 1.00 0.00 C ATOM 666 CD LYS A 489 10.821 6.191 -0.483 1.00 0.00 C ATOM 667 CE LYS A 489 11.923 6.021 -1.517 1.00 0.00 C ATOM 668 NZ LYS A 489 11.388 6.043 -2.907 1.00 0.00 N ATOM 0 H LYS A 489 8.339 3.188 2.084 1.00 0.00 H new ATOM 0 HA LYS A 489 10.183 5.444 2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 489 8.031 4.392 0.357 1.00 0.00 H new ATOM 0 HB3 LYS A 489 8.325 6.120 0.327 1.00 0.00 H new ATOM 0 HG2 LYS A 489 10.574 4.116 0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 489 9.609 4.651 -1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 489 10.193 7.039 -0.756 1.00 0.00 H new ATOM 0 HD3 LYS A 489 11.263 6.421 0.487 1.00 0.00 H new ATOM 0 HE2 LYS A 489 12.658 6.817 -1.398 1.00 0.00 H new ATOM 0 HE3 LYS A 489 12.442 5.079 -1.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 489 12.178 6.044 -3.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 489 10.798 5.201 -3.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 489 10.814 6.899 -3.045 1.00 0.00 H new ATOM 682 N THR A 490 7.009 5.655 3.050 1.00 0.00 N ATOM 683 CA THR A 490 6.050 6.471 3.785 1.00 0.00 C ATOM 684 C THR A 490 4.795 5.675 4.122 1.00 0.00 C ATOM 685 O THR A 490 4.235 4.988 3.268 1.00 0.00 O ATOM 686 CB THR A 490 5.650 7.725 2.984 1.00 0.00 C ATOM 687 OG1 THR A 490 4.701 8.498 3.728 1.00 0.00 O ATOM 688 CG2 THR A 490 5.054 7.340 1.638 1.00 0.00 C ATOM 0 H THR A 490 6.644 4.756 2.736 1.00 0.00 H new ATOM 0 HA THR A 490 6.539 6.780 4.709 1.00 0.00 H new ATOM 0 HB THR A 490 6.547 8.320 2.810 1.00 0.00 H new ATOM 0 HG1 THR A 490 4.573 9.366 3.292 1.00 0.00 H new ATOM 0 HG21 THR A 490 4.779 8.242 1.090 1.00 0.00 H new ATOM 0 HG22 THR A 490 5.788 6.776 1.063 1.00 0.00 H new ATOM 0 HG23 THR A 490 4.167 6.726 1.795 1.00 0.00 H new ATOM 696 N VAL A 491 4.356 5.773 5.373 1.00 0.00 N ATOM 697 CA VAL A 491 3.165 5.063 5.823 1.00 0.00 C ATOM 698 C VAL A 491 1.976 6.009 5.949 1.00 0.00 C ATOM 699 O VAL A 491 1.895 6.799 6.889 1.00 0.00 O ATOM 700 CB VAL A 491 3.402 4.372 7.179 1.00 0.00 C ATOM 701 CG1 VAL A 491 2.079 3.975 7.815 1.00 0.00 C ATOM 702 CG2 VAL A 491 4.305 3.159 7.008 1.00 0.00 C ATOM 0 H VAL A 491 4.808 6.337 6.093 1.00 0.00 H new ATOM 0 HA VAL A 491 2.945 4.305 5.071 1.00 0.00 H new ATOM 0 HB VAL A 491 3.900 5.077 7.844 1.00 0.00 H new ATOM 0 HG11 VAL A 491 2.267 3.488 8.772 1.00 0.00 H new ATOM 0 HG12 VAL A 491 1.470 4.865 7.974 1.00 0.00 H new ATOM 0 HG13 VAL A 491 1.550 3.287 7.156 1.00 0.00 H new ATOM 0 HG21 VAL A 491 4.462 2.683 7.976 1.00 0.00 H new ATOM 0 HG22 VAL A 491 3.836 2.449 6.326 1.00 0.00 H new ATOM 0 HG23 VAL A 491 5.265 3.475 6.599 1.00 0.00 H new ATOM 712 N ARG A 492 1.055 5.922 4.995 1.00 0.00 N ATOM 713 CA ARG A 492 -0.131 6.771 4.998 1.00 0.00 C ATOM 714 C ARG A 492 -1.360 5.987 5.449 1.00 0.00 C ATOM 715 O ARG A 492 -1.625 4.890 4.956 1.00 0.00 O ATOM 716 CB ARG A 492 -0.369 7.356 3.604 1.00 0.00 C ATOM 717 CG ARG A 492 0.803 8.167 3.076 1.00 0.00 C ATOM 718 CD ARG A 492 1.014 9.435 3.888 1.00 0.00 C ATOM 719 NE ARG A 492 1.857 10.400 3.188 1.00 0.00 N ATOM 720 CZ ARG A 492 1.399 11.248 2.274 1.00 0.00 C ATOM 721 NH1 ARG A 492 0.113 11.251 1.953 1.00 0.00 N ATOM 722 NH2 ARG A 492 2.228 12.097 1.680 1.00 0.00 N ATOM 0 H ARG A 492 1.107 5.273 4.210 1.00 0.00 H new ATOM 0 HA ARG A 492 0.038 7.585 5.703 1.00 0.00 H new ATOM 0 HB2 ARG A 492 -0.580 6.543 2.909 1.00 0.00 H new ATOM 0 HB3 ARG A 492 -1.255 7.990 3.632 1.00 0.00 H new ATOM 0 HG2 ARG A 492 1.708 7.561 3.104 1.00 0.00 H new ATOM 0 HG3 ARG A 492 0.626 8.427 2.032 1.00 0.00 H new ATOM 0 HD2 ARG A 492 0.048 9.890 4.107 1.00 0.00 H new ATOM 0 HD3 ARG A 492 1.471 9.181 4.844 1.00 0.00 H new ATOM 0 HE ARG A 492 2.852 10.424 3.413 1.00 0.00 H new ATOM 0 HH11 ARG A 492 -0.528 10.601 2.408 1.00 0.00 H new ATOM 0 HH12 ARG A 492 -0.236 11.903 1.251 1.00 0.00 H new ATOM 0 HH21 ARG A 492 3.218 12.099 1.925 1.00 0.00 H new ATOM 0 HH22 ARG A 492 1.875 12.748 0.978 1.00 0.00 H new ATOM 736 N LEU A 493 -2.106 6.557 6.389 1.00 0.00 N ATOM 737 CA LEU A 493 -3.307 5.911 6.908 1.00 0.00 C ATOM 738 C LEU A 493 -4.430 6.925 7.099 1.00 0.00 C ATOM 739 O LEU A 493 -4.204 8.074 7.480 1.00 0.00 O ATOM 740 CB LEU A 493 -3.002 5.214 8.235 1.00 0.00 C ATOM 741 CG LEU A 493 -2.389 3.817 8.134 1.00 0.00 C ATOM 742 CD1 LEU A 493 -0.871 3.902 8.097 1.00 0.00 C ATOM 743 CD2 LEU A 493 -2.848 2.948 9.296 1.00 0.00 C ATOM 0 H LEU A 493 -1.901 7.464 6.807 1.00 0.00 H new ATOM 0 HA LEU A 493 -3.633 5.167 6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.323 5.846 8.807 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -3.928 5.142 8.806 1.00 0.00 H new ATOM 0 HG LEU A 493 -2.730 3.358 7.206 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -0.452 2.898 8.025 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -0.560 4.488 7.232 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -0.511 4.381 9.008 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -2.402 1.957 9.208 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.537 3.404 10.236 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -3.934 2.860 9.277 1.00 0.00 H new ATOM 899 N ARG A 504 -11.306 4.496 7.580 1.00 0.00 N ATOM 900 CA ARG A 504 -11.728 3.634 6.482 1.00 0.00 C ATOM 901 C ARG A 504 -10.810 2.422 6.360 1.00 0.00 C ATOM 902 O ARG A 504 -9.624 2.493 6.679 1.00 0.00 O ATOM 903 CB ARG A 504 -11.737 4.415 5.167 1.00 0.00 C ATOM 904 CG ARG A 504 -12.838 5.460 5.087 1.00 0.00 C ATOM 905 CD ARG A 504 -12.741 6.275 3.807 1.00 0.00 C ATOM 906 NE ARG A 504 -13.620 7.441 3.832 1.00 0.00 N ATOM 907 CZ ARG A 504 -13.825 8.229 2.782 1.00 0.00 C ATOM 908 NH1 ARG A 504 -13.219 7.976 1.631 1.00 0.00 N ATOM 909 NH2 ARG A 504 -14.640 9.272 2.884 1.00 0.00 N ATOM 0 HA ARG A 504 -12.738 3.284 6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 504 -10.772 4.906 5.039 1.00 0.00 H new ATOM 0 HB3 ARG A 504 -11.851 3.715 4.339 1.00 0.00 H new ATOM 0 HG2 ARG A 504 -13.810 4.970 5.135 1.00 0.00 H new ATOM 0 HG3 ARG A 504 -12.774 6.125 5.949 1.00 0.00 H new ATOM 0 HD2 ARG A 504 -11.711 6.601 3.662 1.00 0.00 H new ATOM 0 HD3 ARG A 504 -12.999 5.645 2.956 1.00 0.00 H new ATOM 0 HE ARG A 504 -14.103 7.662 4.703 1.00 0.00 H new ATOM 0 HH11 ARG A 504 -12.593 7.175 1.549 1.00 0.00 H new ATOM 0 HH12 ARG A 504 -13.378 8.583 0.827 1.00 0.00 H new ATOM 0 HH21 ARG A 504 -15.109 9.468 3.768 1.00 0.00 H new ATOM 0 HH22 ARG A 504 -14.797 9.877 2.078 1.00 0.00 H new ATOM 923 N GLY A 505 -11.368 1.308 5.896 1.00 0.00 N ATOM 924 CA GLY A 505 -10.586 0.095 5.740 1.00 0.00 C ATOM 925 C GLY A 505 -9.679 0.142 4.526 1.00 0.00 C ATOM 926 O GLY A 505 -9.870 -0.610 3.570 1.00 0.00 O ATOM 0 H GLY A 505 -12.348 1.224 5.625 1.00 0.00 H new ATOM 0 HA2 GLY A 505 -9.983 -0.062 6.634 1.00 0.00 H new ATOM 0 HA3 GLY A 505 -11.258 -0.759 5.655 1.00 0.00 H new ATOM 930 N PHE A 506 -8.690 1.028 4.562 1.00 0.00 N ATOM 931 CA PHE A 506 -7.751 1.173 3.455 1.00 0.00 C ATOM 932 C PHE A 506 -6.494 1.913 3.901 1.00 0.00 C ATOM 933 O PHE A 506 -6.570 2.929 4.590 1.00 0.00 O ATOM 934 CB PHE A 506 -8.411 1.919 2.294 1.00 0.00 C ATOM 935 CG PHE A 506 -8.259 3.411 2.376 1.00 0.00 C ATOM 936 CD1 PHE A 506 -9.042 4.153 3.246 1.00 0.00 C ATOM 937 CD2 PHE A 506 -7.335 4.071 1.583 1.00 0.00 C ATOM 938 CE1 PHE A 506 -8.904 5.526 3.324 1.00 0.00 C ATOM 939 CE2 PHE A 506 -7.192 5.444 1.658 1.00 0.00 C ATOM 940 CZ PHE A 506 -7.979 6.172 2.528 1.00 0.00 C ATOM 0 H PHE A 506 -8.517 1.657 5.346 1.00 0.00 H new ATOM 0 HA PHE A 506 -7.464 0.176 3.121 1.00 0.00 H new ATOM 0 HB2 PHE A 506 -7.980 1.569 1.356 1.00 0.00 H new ATOM 0 HB3 PHE A 506 -9.472 1.671 2.270 1.00 0.00 H new ATOM 0 HD1 PHE A 506 -9.768 3.653 3.870 1.00 0.00 H new ATOM 0 HD2 PHE A 506 -6.719 3.507 0.898 1.00 0.00 H new ATOM 0 HE1 PHE A 506 -9.519 6.093 4.007 1.00 0.00 H new ATOM 0 HE2 PHE A 506 -6.465 5.947 1.037 1.00 0.00 H new ATOM 0 HZ PHE A 506 -7.871 7.245 2.586 1.00 0.00 H new ATOM 950 N GLY A 507 -5.336 1.394 3.502 1.00 0.00 N ATOM 951 CA GLY A 507 -4.078 2.017 3.870 1.00 0.00 C ATOM 952 C GLY A 507 -3.060 1.975 2.748 1.00 0.00 C ATOM 953 O GLY A 507 -2.997 1.003 1.994 1.00 0.00 O ATOM 0 H GLY A 507 -5.247 0.554 2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 507 -4.259 3.054 4.154 1.00 0.00 H new ATOM 0 HA3 GLY A 507 -3.669 1.514 4.746 1.00 0.00 H new ATOM 957 N PHE A 508 -2.262 3.031 2.635 1.00 0.00 N ATOM 958 CA PHE A 508 -1.243 3.111 1.595 1.00 0.00 C ATOM 959 C PHE A 508 0.148 2.880 2.177 1.00 0.00 C ATOM 960 O PHE A 508 0.603 3.626 3.044 1.00 0.00 O ATOM 961 CB PHE A 508 -1.298 4.474 0.902 1.00 0.00 C ATOM 962 CG PHE A 508 -2.344 4.558 -0.173 1.00 0.00 C ATOM 963 CD1 PHE A 508 -2.098 4.054 -1.439 1.00 0.00 C ATOM 964 CD2 PHE A 508 -3.574 5.143 0.083 1.00 0.00 C ATOM 965 CE1 PHE A 508 -3.058 4.129 -2.430 1.00 0.00 C ATOM 966 CE2 PHE A 508 -4.539 5.221 -0.903 1.00 0.00 C ATOM 967 CZ PHE A 508 -4.280 4.714 -2.162 1.00 0.00 C ATOM 0 H PHE A 508 -2.301 3.843 3.251 1.00 0.00 H new ATOM 0 HA PHE A 508 -1.445 2.330 0.862 1.00 0.00 H new ATOM 0 HB2 PHE A 508 -1.492 5.244 1.648 1.00 0.00 H new ATOM 0 HB3 PHE A 508 -0.323 4.691 0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 508 -1.144 3.596 -1.655 1.00 0.00 H new ATOM 0 HD2 PHE A 508 -3.781 5.543 1.065 1.00 0.00 H new ATOM 0 HE1 PHE A 508 -2.853 3.731 -3.413 1.00 0.00 H new ATOM 0 HE2 PHE A 508 -5.494 5.678 -0.690 1.00 0.00 H new ATOM 0 HZ PHE A 508 -5.032 4.775 -2.935 1.00 0.00 H new ATOM 977 N VAL A 509 0.820 1.840 1.693 1.00 0.00 N ATOM 978 CA VAL A 509 2.160 1.510 2.164 1.00 0.00 C ATOM 979 C VAL A 509 3.162 1.509 1.015 1.00 0.00 C ATOM 980 O VAL A 509 2.966 0.830 0.007 1.00 0.00 O ATOM 981 CB VAL A 509 2.188 0.134 2.856 1.00 0.00 C ATOM 982 CG1 VAL A 509 3.596 -0.198 3.329 1.00 0.00 C ATOM 983 CG2 VAL A 509 1.206 0.101 4.016 1.00 0.00 C ATOM 0 H VAL A 509 0.458 1.212 0.975 1.00 0.00 H new ATOM 0 HA VAL A 509 2.440 2.278 2.885 1.00 0.00 H new ATOM 0 HB VAL A 509 1.886 -0.623 2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 509 3.596 -1.174 3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 509 4.272 -0.219 2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 509 3.930 0.560 4.037 1.00 0.00 H new ATOM 0 HG21 VAL A 509 1.239 -0.878 4.493 1.00 0.00 H new ATOM 0 HG22 VAL A 509 1.475 0.868 4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 509 0.199 0.290 3.645 1.00 0.00 H new ATOM 993 N ASP A 510 4.236 2.275 1.174 1.00 0.00 N ATOM 994 CA ASP A 510 5.271 2.362 0.150 1.00 0.00 C ATOM 995 C ASP A 510 6.606 1.852 0.682 1.00 0.00 C ATOM 996 O ASP A 510 6.897 1.968 1.873 1.00 0.00 O ATOM 997 CB ASP A 510 5.419 3.806 -0.334 1.00 0.00 C ATOM 998 CG ASP A 510 6.085 3.895 -1.693 1.00 0.00 C ATOM 999 OD1 ASP A 510 7.035 3.124 -1.940 1.00 0.00 O ATOM 1000 OD2 ASP A 510 5.655 4.737 -2.509 1.00 0.00 O ATOM 0 H ASP A 510 4.413 2.844 2.002 1.00 0.00 H new ATOM 0 HA ASP A 510 4.971 1.734 -0.689 1.00 0.00 H new ATOM 0 HB2 ASP A 510 4.435 4.272 -0.383 1.00 0.00 H new ATOM 0 HB3 ASP A 510 6.004 4.371 0.392 1.00 0.00 H new ATOM 1005 N PHE A 511 7.414 1.285 -0.208 1.00 0.00 N ATOM 1006 CA PHE A 511 8.718 0.754 0.172 1.00 0.00 C ATOM 1007 C PHE A 511 9.841 1.527 -0.513 1.00 0.00 C ATOM 1008 O PHE A 511 9.591 2.370 -1.376 1.00 0.00 O ATOM 1009 CB PHE A 511 8.812 -0.730 -0.186 1.00 0.00 C ATOM 1010 CG PHE A 511 8.353 -1.643 0.914 1.00 0.00 C ATOM 1011 CD1 PHE A 511 7.016 -1.990 1.032 1.00 0.00 C ATOM 1012 CD2 PHE A 511 9.257 -2.155 1.830 1.00 0.00 C ATOM 1013 CE1 PHE A 511 6.590 -2.829 2.044 1.00 0.00 C ATOM 1014 CE2 PHE A 511 8.837 -2.996 2.844 1.00 0.00 C ATOM 1015 CZ PHE A 511 7.502 -3.334 2.950 1.00 0.00 C ATOM 0 H PHE A 511 7.189 1.181 -1.197 1.00 0.00 H new ATOM 0 HA PHE A 511 8.828 0.868 1.250 1.00 0.00 H new ATOM 0 HB2 PHE A 511 8.214 -0.919 -1.077 1.00 0.00 H new ATOM 0 HB3 PHE A 511 9.845 -0.970 -0.439 1.00 0.00 H new ATOM 0 HD1 PHE A 511 6.299 -1.600 0.325 1.00 0.00 H new ATOM 0 HD2 PHE A 511 10.302 -1.894 1.751 1.00 0.00 H new ATOM 0 HE1 PHE A 511 5.545 -3.090 2.126 1.00 0.00 H new ATOM 0 HE2 PHE A 511 9.552 -3.388 3.552 1.00 0.00 H new ATOM 0 HZ PHE A 511 7.172 -3.992 3.740 1.00 0.00 H new ATOM 1025 N ILE A 512 11.077 1.234 -0.123 1.00 0.00 N ATOM 1026 CA ILE A 512 12.237 1.901 -0.700 1.00 0.00 C ATOM 1027 C ILE A 512 12.654 1.243 -2.011 1.00 0.00 C ATOM 1028 O ILE A 512 12.940 1.923 -2.997 1.00 0.00 O ATOM 1029 CB ILE A 512 13.434 1.888 0.270 1.00 0.00 C ATOM 1030 CG1 ILE A 512 13.028 2.479 1.622 1.00 0.00 C ATOM 1031 CG2 ILE A 512 14.604 2.659 -0.322 1.00 0.00 C ATOM 1032 CD1 ILE A 512 12.633 3.938 1.550 1.00 0.00 C ATOM 0 H ILE A 512 11.301 0.539 0.590 1.00 0.00 H new ATOM 0 HA ILE A 512 11.944 2.934 -0.891 1.00 0.00 H new ATOM 0 HB ILE A 512 13.747 0.855 0.425 1.00 0.00 H new ATOM 0 HG12 ILE A 512 12.194 1.905 2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 512 13.857 2.370 2.321 1.00 0.00 H new ATOM 0 HG21 ILE A 512 15.442 2.641 0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 512 14.905 2.198 -1.263 1.00 0.00 H new ATOM 0 HG23 ILE A 512 14.305 3.691 -0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 512 12.358 4.290 2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 512 13.473 4.524 1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 512 11.784 4.052 0.877 1.00 0.00 H new ATOM 1044 N THR A 513 12.684 -0.086 -2.017 1.00 0.00 N ATOM 1045 CA THR A 513 13.064 -0.837 -3.207 1.00 0.00 C ATOM 1046 C THR A 513 11.928 -1.739 -3.674 1.00 0.00 C ATOM 1047 O THR A 513 11.208 -2.321 -2.862 1.00 0.00 O ATOM 1048 CB THR A 513 14.316 -1.697 -2.952 1.00 0.00 C ATOM 1049 OG1 THR A 513 14.063 -2.628 -1.894 1.00 0.00 O ATOM 1050 CG2 THR A 513 15.509 -0.824 -2.593 1.00 0.00 C ATOM 0 H THR A 513 12.449 -0.665 -1.210 1.00 0.00 H new ATOM 0 HA THR A 513 13.286 -0.106 -3.984 1.00 0.00 H new ATOM 0 HB THR A 513 14.548 -2.242 -3.867 1.00 0.00 H new ATOM 0 HG1 THR A 513 14.300 -3.532 -2.190 1.00 0.00 H new ATOM 0 HG21 THR A 513 16.381 -1.454 -2.417 1.00 0.00 H new ATOM 0 HG22 THR A 513 15.717 -0.137 -3.413 1.00 0.00 H new ATOM 0 HG23 THR A 513 15.285 -0.255 -1.691 1.00 0.00 H new ATOM 1058 N LYS A 514 11.771 -1.852 -4.989 1.00 0.00 N ATOM 1059 CA LYS A 514 10.723 -2.686 -5.566 1.00 0.00 C ATOM 1060 C LYS A 514 10.718 -4.072 -4.930 1.00 0.00 C ATOM 1061 O LYS A 514 9.727 -4.484 -4.327 1.00 0.00 O ATOM 1062 CB LYS A 514 10.915 -2.808 -7.079 1.00 0.00 C ATOM 1063 CG LYS A 514 10.212 -1.719 -7.872 1.00 0.00 C ATOM 1064 CD LYS A 514 11.049 -0.453 -7.943 1.00 0.00 C ATOM 1065 CE LYS A 514 12.060 -0.516 -9.077 1.00 0.00 C ATOM 1066 NZ LYS A 514 13.078 0.567 -8.973 1.00 0.00 N ATOM 0 H LYS A 514 12.357 -1.376 -5.675 1.00 0.00 H new ATOM 0 HA LYS A 514 9.763 -2.210 -5.365 1.00 0.00 H new ATOM 0 HB2 LYS A 514 11.981 -2.779 -7.305 1.00 0.00 H new ATOM 0 HB3 LYS A 514 10.546 -3.780 -7.406 1.00 0.00 H new ATOM 0 HG2 LYS A 514 10.006 -2.077 -8.881 1.00 0.00 H new ATOM 0 HG3 LYS A 514 9.250 -1.495 -7.411 1.00 0.00 H new ATOM 0 HD2 LYS A 514 10.396 0.409 -8.084 1.00 0.00 H new ATOM 0 HD3 LYS A 514 11.570 -0.307 -6.997 1.00 0.00 H new ATOM 0 HE2 LYS A 514 12.558 -1.485 -9.066 1.00 0.00 H new ATOM 0 HE3 LYS A 514 11.540 -0.436 -10.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 514 13.749 0.490 -9.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 514 12.605 1.493 -9.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 514 13.592 0.475 -8.073 1.00 0.00 H new ATOM 1080 N GLN A 515 11.831 -4.785 -5.067 1.00 0.00 N ATOM 1081 CA GLN A 515 11.954 -6.124 -4.504 1.00 0.00 C ATOM 1082 C GLN A 515 11.297 -6.200 -3.130 1.00 0.00 C ATOM 1083 O GLN A 515 10.396 -7.009 -2.905 1.00 0.00 O ATOM 1084 CB GLN A 515 13.427 -6.524 -4.401 1.00 0.00 C ATOM 1085 CG GLN A 515 14.116 -6.661 -5.749 1.00 0.00 C ATOM 1086 CD GLN A 515 13.863 -8.007 -6.399 1.00 0.00 C ATOM 1087 OE1 GLN A 515 12.984 -8.758 -5.977 1.00 0.00 O ATOM 1088 NE2 GLN A 515 14.635 -8.319 -7.434 1.00 0.00 N ATOM 0 H GLN A 515 12.660 -4.458 -5.563 1.00 0.00 H new ATOM 0 HA GLN A 515 11.442 -6.819 -5.170 1.00 0.00 H new ATOM 0 HB2 GLN A 515 13.956 -5.780 -3.806 1.00 0.00 H new ATOM 0 HB3 GLN A 515 13.501 -7.471 -3.866 1.00 0.00 H new ATOM 0 HG2 GLN A 515 13.768 -5.870 -6.413 1.00 0.00 H new ATOM 0 HG3 GLN A 515 15.189 -6.520 -5.620 1.00 0.00 H new ATOM 0 HE21 GLN A 515 15.352 -7.666 -7.751 1.00 0.00 H new ATOM 0 HE22 GLN A 515 14.511 -9.211 -7.912 1.00 0.00 H new ATOM 1097 N ASP A 516 11.754 -5.353 -2.214 1.00 0.00 N ATOM 1098 CA ASP A 516 11.210 -5.324 -0.861 1.00 0.00 C ATOM 1099 C ASP A 516 9.685 -5.291 -0.889 1.00 0.00 C ATOM 1100 O ASP A 516 9.026 -5.957 -0.092 1.00 0.00 O ATOM 1101 CB ASP A 516 11.744 -4.109 -0.100 1.00 0.00 C ATOM 1102 CG ASP A 516 13.246 -4.168 0.103 1.00 0.00 C ATOM 1103 OD1 ASP A 516 13.910 -4.949 -0.610 1.00 0.00 O ATOM 1104 OD2 ASP A 516 13.756 -3.434 0.975 1.00 0.00 O ATOM 0 H ASP A 516 12.499 -4.678 -2.384 1.00 0.00 H new ATOM 0 HA ASP A 516 11.527 -6.233 -0.349 1.00 0.00 H new ATOM 0 HB2 ASP A 516 11.489 -3.201 -0.646 1.00 0.00 H new ATOM 0 HB3 ASP A 516 11.251 -4.046 0.870 1.00 0.00 H new ATOM 1109 N ALA A 517 9.132 -4.512 -1.813 1.00 0.00 N ATOM 1110 CA ALA A 517 7.685 -4.393 -1.945 1.00 0.00 C ATOM 1111 C ALA A 517 7.082 -5.665 -2.532 1.00 0.00 C ATOM 1112 O ALA A 517 6.013 -6.109 -2.112 1.00 0.00 O ATOM 1113 CB ALA A 517 7.331 -3.192 -2.809 1.00 0.00 C ATOM 0 H ALA A 517 9.664 -3.954 -2.481 1.00 0.00 H new ATOM 0 HA ALA A 517 7.264 -4.247 -0.950 1.00 0.00 H new ATOM 0 HB1 ALA A 517 6.247 -3.115 -2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 517 7.722 -2.285 -2.349 1.00 0.00 H new ATOM 0 HB3 ALA A 517 7.770 -3.314 -3.799 1.00 0.00 H new ATOM 1119 N LYS A 518 7.773 -6.248 -3.506 1.00 0.00 N ATOM 1120 CA LYS A 518 7.306 -7.469 -4.151 1.00 0.00 C ATOM 1121 C LYS A 518 7.264 -8.627 -3.158 1.00 0.00 C ATOM 1122 O LYS A 518 6.289 -9.377 -3.104 1.00 0.00 O ATOM 1123 CB LYS A 518 8.214 -7.827 -5.329 1.00 0.00 C ATOM 1124 CG LYS A 518 7.772 -7.214 -6.646 1.00 0.00 C ATOM 1125 CD LYS A 518 8.201 -5.761 -6.757 1.00 0.00 C ATOM 1126 CE LYS A 518 7.235 -4.958 -7.614 1.00 0.00 C ATOM 1127 NZ LYS A 518 7.342 -5.317 -9.055 1.00 0.00 N ATOM 0 H LYS A 518 8.659 -5.894 -3.866 1.00 0.00 H new ATOM 0 HA LYS A 518 6.296 -7.292 -4.519 1.00 0.00 H new ATOM 0 HB2 LYS A 518 9.229 -7.498 -5.107 1.00 0.00 H new ATOM 0 HB3 LYS A 518 8.246 -8.911 -5.435 1.00 0.00 H new ATOM 0 HG2 LYS A 518 8.195 -7.783 -7.473 1.00 0.00 H new ATOM 0 HG3 LYS A 518 6.688 -7.282 -6.734 1.00 0.00 H new ATOM 0 HD2 LYS A 518 8.258 -5.321 -5.762 1.00 0.00 H new ATOM 0 HD3 LYS A 518 9.201 -5.708 -7.187 1.00 0.00 H new ATOM 0 HE2 LYS A 518 6.215 -5.132 -7.271 1.00 0.00 H new ATOM 0 HE3 LYS A 518 7.437 -3.894 -7.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 6.668 -4.748 -9.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 8.308 -5.128 -9.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 7.125 -6.327 -9.178 1.00 0.00 H new ATOM 1141 N LYS A 519 8.326 -8.765 -2.372 1.00 0.00 N ATOM 1142 CA LYS A 519 8.410 -9.829 -1.378 1.00 0.00 C ATOM 1143 C LYS A 519 7.381 -9.622 -0.272 1.00 0.00 C ATOM 1144 O LYS A 519 6.783 -10.579 0.220 1.00 0.00 O ATOM 1145 CB LYS A 519 9.816 -9.884 -0.778 1.00 0.00 C ATOM 1146 CG LYS A 519 10.256 -8.580 -0.136 1.00 0.00 C ATOM 1147 CD LYS A 519 11.343 -8.807 0.901 1.00 0.00 C ATOM 1148 CE LYS A 519 12.649 -9.241 0.253 1.00 0.00 C ATOM 1149 NZ LYS A 519 13.807 -9.074 1.173 1.00 0.00 N ATOM 0 H LYS A 519 9.141 -8.153 -2.404 1.00 0.00 H new ATOM 0 HA LYS A 519 8.197 -10.775 -1.876 1.00 0.00 H new ATOM 0 HB2 LYS A 519 9.852 -10.677 -0.031 1.00 0.00 H new ATOM 0 HB3 LYS A 519 10.526 -10.151 -1.561 1.00 0.00 H new ATOM 0 HG2 LYS A 519 10.622 -7.900 -0.905 1.00 0.00 H new ATOM 0 HG3 LYS A 519 9.399 -8.098 0.334 1.00 0.00 H new ATOM 0 HD2 LYS A 519 11.504 -7.890 1.468 1.00 0.00 H new ATOM 0 HD3 LYS A 519 11.017 -9.567 1.611 1.00 0.00 H new ATOM 0 HE2 LYS A 519 12.574 -10.285 -0.051 1.00 0.00 H new ATOM 0 HE3 LYS A 519 12.817 -8.657 -0.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 14.678 -9.381 0.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 13.894 -8.073 1.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 13.659 -9.651 2.025 1.00 0.00 H new ATOM 1163 N ALA A 520 7.179 -8.367 0.115 1.00 0.00 N ATOM 1164 CA ALA A 520 6.220 -8.035 1.161 1.00 0.00 C ATOM 1165 C ALA A 520 4.787 -8.188 0.661 1.00 0.00 C ATOM 1166 O ALA A 520 3.888 -8.543 1.423 1.00 0.00 O ATOM 1167 CB ALA A 520 6.457 -6.619 1.665 1.00 0.00 C ATOM 0 H ALA A 520 7.667 -7.563 -0.280 1.00 0.00 H new ATOM 0 HA ALA A 520 6.365 -8.732 1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 520 5.733 -6.385 2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 520 7.466 -6.541 2.070 1.00 0.00 H new ATOM 0 HB3 ALA A 520 6.342 -5.915 0.841 1.00 0.00 H new ATOM 1173 N PHE A 521 4.582 -7.917 -0.623 1.00 0.00 N ATOM 1174 CA PHE A 521 3.258 -8.023 -1.225 1.00 0.00 C ATOM 1175 C PHE A 521 2.842 -9.484 -1.371 1.00 0.00 C ATOM 1176 O PHE A 521 1.815 -9.904 -0.839 1.00 0.00 O ATOM 1177 CB PHE A 521 3.239 -7.337 -2.592 1.00 0.00 C ATOM 1178 CG PHE A 521 1.953 -7.531 -3.343 1.00 0.00 C ATOM 1179 CD1 PHE A 521 1.692 -8.723 -4.000 1.00 0.00 C ATOM 1180 CD2 PHE A 521 1.004 -6.522 -3.391 1.00 0.00 C ATOM 1181 CE1 PHE A 521 0.509 -8.904 -4.692 1.00 0.00 C ATOM 1182 CE2 PHE A 521 -0.181 -6.698 -4.081 1.00 0.00 C ATOM 1183 CZ PHE A 521 -0.429 -7.890 -4.732 1.00 0.00 C ATOM 0 H PHE A 521 5.316 -7.622 -1.267 1.00 0.00 H new ATOM 0 HA PHE A 521 2.547 -7.525 -0.566 1.00 0.00 H new ATOM 0 HB2 PHE A 521 3.414 -6.270 -2.456 1.00 0.00 H new ATOM 0 HB3 PHE A 521 4.063 -7.721 -3.194 1.00 0.00 H new ATOM 0 HD1 PHE A 521 2.421 -9.519 -3.971 1.00 0.00 H new ATOM 0 HD2 PHE A 521 1.192 -5.587 -2.884 1.00 0.00 H new ATOM 0 HE1 PHE A 521 0.318 -9.837 -5.201 1.00 0.00 H new ATOM 0 HE2 PHE A 521 -0.912 -5.904 -4.111 1.00 0.00 H new ATOM 0 HZ PHE A 521 -1.354 -8.030 -5.271 1.00 0.00 H new ATOM 1193 N ASN A 522 3.647 -10.253 -2.096 1.00 0.00 N ATOM 1194 CA ASN A 522 3.363 -11.667 -2.314 1.00 0.00 C ATOM 1195 C ASN A 522 3.264 -12.412 -0.986 1.00 0.00 C ATOM 1196 O ASN A 522 2.431 -13.303 -0.824 1.00 0.00 O ATOM 1197 CB ASN A 522 4.450 -12.298 -3.186 1.00 0.00 C ATOM 1198 CG ASN A 522 5.593 -12.866 -2.366 1.00 0.00 C ATOM 1199 OD1 ASN A 522 5.353 -14.005 -1.727 1.00 0.00 O flip ATOM 1200 ND2 ASN A 522 6.677 -12.286 -2.308 1.00 0.00 N flip ATOM 0 H ASN A 522 4.502 -9.921 -2.543 1.00 0.00 H new ATOM 0 HA ASN A 522 2.404 -11.745 -2.827 1.00 0.00 H new ATOM 0 HB2 ASN A 522 4.011 -13.091 -3.791 1.00 0.00 H new ATOM 0 HB3 ASN A 522 4.839 -11.549 -3.876 1.00 0.00 H new ATOM 0 HD21 ASN A 522 6.816 -11.413 -2.816 1.00 0.00 H new ATOM 0 HD22 ASN A 522 7.436 -12.679 -1.752 1.00 0.00 H new ATOM 1207 N ALA A 523 4.119 -12.040 -0.040 1.00 0.00 N ATOM 1208 CA ALA A 523 4.127 -12.671 1.274 1.00 0.00 C ATOM 1209 C ALA A 523 2.815 -12.420 2.011 1.00 0.00 C ATOM 1210 O ALA A 523 2.171 -13.355 2.488 1.00 0.00 O ATOM 1211 CB ALA A 523 5.302 -12.163 2.097 1.00 0.00 C ATOM 0 H ALA A 523 4.816 -11.304 -0.159 1.00 0.00 H new ATOM 0 HA ALA A 523 4.235 -13.746 1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 523 5.295 -12.643 3.076 1.00 0.00 H new ATOM 0 HB2 ALA A 523 6.234 -12.398 1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 523 5.219 -11.083 2.222 1.00 0.00 H new ATOM 1217 N LEU A 524 2.425 -11.153 2.101 1.00 0.00 N ATOM 1218 CA LEU A 524 1.190 -10.779 2.780 1.00 0.00 C ATOM 1219 C LEU A 524 -0.028 -11.265 2.002 1.00 0.00 C ATOM 1220 O LEU A 524 -0.838 -12.037 2.517 1.00 0.00 O ATOM 1221 CB LEU A 524 1.123 -9.261 2.959 1.00 0.00 C ATOM 1222 CG LEU A 524 1.790 -8.703 4.217 1.00 0.00 C ATOM 1223 CD1 LEU A 524 3.261 -9.087 4.255 1.00 0.00 C ATOM 1224 CD2 LEU A 524 1.630 -7.192 4.280 1.00 0.00 C ATOM 0 H LEU A 524 2.947 -10.368 1.712 1.00 0.00 H new ATOM 0 HA LEU A 524 1.185 -11.255 3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 524 1.584 -8.792 2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 524 0.075 -8.962 2.965 1.00 0.00 H new ATOM 0 HG LEU A 524 1.299 -9.137 5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 524 3.720 -8.682 5.157 1.00 0.00 H new ATOM 0 HD12 LEU A 524 3.354 -10.173 4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 524 3.766 -8.682 3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 524 2.111 -6.813 5.182 1.00 0.00 H new ATOM 0 HD22 LEU A 524 2.094 -6.740 3.404 1.00 0.00 H new ATOM 0 HD23 LEU A 524 0.570 -6.939 4.300 1.00 0.00 H new ATOM 1236 N CYS A 525 -0.150 -10.810 0.760 1.00 0.00 N ATOM 1237 CA CYS A 525 -1.270 -11.200 -0.090 1.00 0.00 C ATOM 1238 C CYS A 525 -1.600 -12.678 0.090 1.00 0.00 C ATOM 1239 O CYS A 525 -2.769 -13.062 0.140 1.00 0.00 O ATOM 1240 CB CYS A 525 -0.947 -10.913 -1.557 1.00 0.00 C ATOM 1241 SG CYS A 525 -0.094 -12.263 -2.404 1.00 0.00 S ATOM 0 H CYS A 525 0.512 -10.171 0.319 1.00 0.00 H new ATOM 0 HA CYS A 525 -2.140 -10.613 0.205 1.00 0.00 H new ATOM 0 HB2 CYS A 525 -1.875 -10.695 -2.086 1.00 0.00 H new ATOM 0 HB3 CYS A 525 -0.330 -10.016 -1.613 1.00 0.00 H new ATOM 0 HG CYS A 525 0.881 -12.694 -1.660 1.00 0.00 H new ATOM 1247 N HIS A 526 -0.563 -13.504 0.185 1.00 0.00 N ATOM 1248 CA HIS A 526 -0.744 -14.941 0.359 1.00 0.00 C ATOM 1249 C HIS A 526 -1.777 -15.232 1.443 1.00 0.00 C ATOM 1250 O HIS A 526 -2.707 -16.010 1.235 1.00 0.00 O ATOM 1251 CB HIS A 526 0.587 -15.604 0.715 1.00 0.00 C ATOM 1252 CG HIS A 526 1.371 -16.055 -0.479 1.00 0.00 C ATOM 1253 ND1 HIS A 526 2.748 -16.126 -0.492 1.00 0.00 N ATOM 1254 CD2 HIS A 526 0.963 -16.459 -1.704 1.00 0.00 C ATOM 1255 CE1 HIS A 526 3.153 -16.554 -1.675 1.00 0.00 C ATOM 1256 NE2 HIS A 526 2.089 -16.764 -2.429 1.00 0.00 N ATOM 0 H HIS A 526 0.411 -13.203 0.144 1.00 0.00 H new ATOM 0 HA HIS A 526 -1.107 -15.353 -0.583 1.00 0.00 H new ATOM 0 HB2 HIS A 526 1.190 -14.902 1.291 1.00 0.00 H new ATOM 0 HB3 HIS A 526 0.395 -16.463 1.358 1.00 0.00 H new ATOM 0 HD2 HIS A 526 -0.058 -16.529 -2.048 1.00 0.00 H new ATOM 0 HE1 HIS A 526 4.179 -16.706 -1.974 1.00 0.00 H new ATOM 0 HE2 HIS A 526 2.102 -17.098 -3.393 1.00 0.00 H new ATOM 1264 N SER A 527 -1.605 -14.602 2.601 1.00 0.00 N ATOM 1265 CA SER A 527 -2.520 -14.797 3.720 1.00 0.00 C ATOM 1266 C SER A 527 -2.207 -13.826 4.854 1.00 0.00 C ATOM 1267 O SER A 527 -1.216 -13.985 5.568 1.00 0.00 O ATOM 1268 CB SER A 527 -2.438 -16.238 4.229 1.00 0.00 C ATOM 1269 OG SER A 527 -1.106 -16.581 4.573 1.00 0.00 O ATOM 0 H SER A 527 -0.841 -13.953 2.789 1.00 0.00 H new ATOM 0 HA SER A 527 -3.533 -14.601 3.367 1.00 0.00 H new ATOM 0 HB2 SER A 527 -3.084 -16.357 5.099 1.00 0.00 H new ATOM 0 HB3 SER A 527 -2.806 -16.920 3.462 1.00 0.00 H new ATOM 0 HG SER A 527 -0.680 -15.824 5.027 1.00 0.00 H new ATOM 1275 N THR A 528 -3.058 -12.818 5.014 1.00 0.00 N ATOM 1276 CA THR A 528 -2.873 -11.819 6.059 1.00 0.00 C ATOM 1277 C THR A 528 -4.111 -11.710 6.941 1.00 0.00 C ATOM 1278 O THR A 528 -5.150 -11.209 6.511 1.00 0.00 O ATOM 1279 CB THR A 528 -2.558 -10.434 5.463 1.00 0.00 C ATOM 1280 OG1 THR A 528 -1.531 -10.549 4.472 1.00 0.00 O ATOM 1281 CG2 THR A 528 -2.115 -9.466 6.550 1.00 0.00 C ATOM 0 H THR A 528 -3.883 -12.672 4.433 1.00 0.00 H new ATOM 0 HA THR A 528 -2.027 -12.147 6.663 1.00 0.00 H new ATOM 0 HB THR A 528 -3.466 -10.046 5.001 1.00 0.00 H new ATOM 0 HG1 THR A 528 -1.792 -11.219 3.806 1.00 0.00 H new ATOM 0 HG21 THR A 528 -1.898 -8.495 6.106 1.00 0.00 H new ATOM 0 HG22 THR A 528 -2.910 -9.358 7.287 1.00 0.00 H new ATOM 0 HG23 THR A 528 -1.219 -9.851 7.037 1.00 0.00 H new ATOM 1289 N HIS A 529 -3.994 -12.183 8.178 1.00 0.00 N ATOM 1290 CA HIS A 529 -5.105 -12.137 9.123 1.00 0.00 C ATOM 1291 C HIS A 529 -4.758 -11.269 10.328 1.00 0.00 C ATOM 1292 O HIS A 529 -3.774 -11.521 11.025 1.00 0.00 O ATOM 1293 CB HIS A 529 -5.468 -13.549 9.584 1.00 0.00 C ATOM 1294 CG HIS A 529 -5.846 -14.467 8.462 1.00 0.00 C ATOM 1295 ND1 HIS A 529 -6.460 -14.031 7.307 1.00 0.00 N ATOM 1296 CD2 HIS A 529 -5.692 -15.804 8.322 1.00 0.00 C ATOM 1297 CE1 HIS A 529 -6.669 -15.060 6.506 1.00 0.00 C ATOM 1298 NE2 HIS A 529 -6.211 -16.148 7.098 1.00 0.00 N ATOM 0 H HIS A 529 -3.142 -12.602 8.549 1.00 0.00 H new ATOM 0 HA HIS A 529 -5.963 -11.696 8.616 1.00 0.00 H new ATOM 0 HB2 HIS A 529 -4.621 -13.976 10.122 1.00 0.00 H new ATOM 0 HB3 HIS A 529 -6.297 -13.490 10.289 1.00 0.00 H new ATOM 0 HD2 HIS A 529 -5.244 -16.476 9.039 1.00 0.00 H new ATOM 0 HE1 HIS A 529 -7.135 -15.019 5.533 1.00 0.00 H new ATOM 0 HE2 HIS A 529 -6.238 -17.091 6.709 1.00 0.00 H new ATOM 1306 N LEU A 530 -5.571 -10.246 10.568 1.00 0.00 N ATOM 1307 CA LEU A 530 -5.350 -9.340 11.690 1.00 0.00 C ATOM 1308 C LEU A 530 -6.639 -9.120 12.475 1.00 0.00 C ATOM 1309 O LEU A 530 -7.671 -8.761 11.907 1.00 0.00 O ATOM 1310 CB LEU A 530 -4.810 -7.999 11.189 1.00 0.00 C ATOM 1311 CG LEU A 530 -4.099 -7.131 12.228 1.00 0.00 C ATOM 1312 CD1 LEU A 530 -2.675 -7.618 12.445 1.00 0.00 C ATOM 1313 CD2 LEU A 530 -4.107 -5.672 11.798 1.00 0.00 C ATOM 0 H LEU A 530 -6.389 -10.023 10.001 1.00 0.00 H new ATOM 0 HA LEU A 530 -4.616 -9.796 12.354 1.00 0.00 H new ATOM 0 HB2 LEU A 530 -4.116 -8.192 10.371 1.00 0.00 H new ATOM 0 HB3 LEU A 530 -5.641 -7.428 10.775 1.00 0.00 H new ATOM 0 HG LEU A 530 -4.637 -7.213 13.173 1.00 0.00 H new ATOM 0 HD11 LEU A 530 -2.184 -6.989 13.187 1.00 0.00 H new ATOM 0 HD12 LEU A 530 -2.693 -8.649 12.798 1.00 0.00 H new ATOM 0 HD13 LEU A 530 -2.125 -7.566 11.505 1.00 0.00 H new ATOM 0 HD21 LEU A 530 -3.597 -5.069 12.549 1.00 0.00 H new ATOM 0 HD22 LEU A 530 -3.593 -5.572 10.842 1.00 0.00 H new ATOM 0 HD23 LEU A 530 -5.136 -5.329 11.695 1.00 0.00 H new ATOM 1325 N TYR A 531 -6.572 -9.336 13.784 1.00 0.00 N ATOM 1326 CA TYR A 531 -7.734 -9.162 14.647 1.00 0.00 C ATOM 1327 C TYR A 531 -8.925 -9.961 14.126 1.00 0.00 C ATOM 1328 O TYR A 531 -10.078 -9.588 14.340 1.00 0.00 O ATOM 1329 CB TYR A 531 -8.104 -7.681 14.748 1.00 0.00 C ATOM 1330 CG TYR A 531 -6.985 -6.812 15.277 1.00 0.00 C ATOM 1331 CD1 TYR A 531 -6.641 -6.830 16.623 1.00 0.00 C ATOM 1332 CD2 TYR A 531 -6.270 -5.974 14.429 1.00 0.00 C ATOM 1333 CE1 TYR A 531 -5.620 -6.038 17.110 1.00 0.00 C ATOM 1334 CE2 TYR A 531 -5.246 -5.179 14.908 1.00 0.00 C ATOM 1335 CZ TYR A 531 -4.926 -5.214 16.249 1.00 0.00 C ATOM 1336 OH TYR A 531 -3.907 -4.424 16.730 1.00 0.00 O ATOM 0 H TYR A 531 -5.726 -9.632 14.270 1.00 0.00 H new ATOM 0 HA TYR A 531 -7.476 -9.534 15.639 1.00 0.00 H new ATOM 0 HB2 TYR A 531 -8.398 -7.320 13.762 1.00 0.00 H new ATOM 0 HB3 TYR A 531 -8.973 -7.576 15.398 1.00 0.00 H new ATOM 0 HD1 TYR A 531 -7.182 -7.475 17.300 1.00 0.00 H new ATOM 0 HD2 TYR A 531 -6.519 -5.944 13.378 1.00 0.00 H new ATOM 0 HE1 TYR A 531 -5.366 -6.064 18.159 1.00 0.00 H new ATOM 0 HE2 TYR A 531 -4.699 -4.534 14.236 1.00 0.00 H new ATOM 0 HH TYR A 531 -3.520 -3.905 15.994 1.00 0.00 H new ATOM 1346 N GLY A 532 -8.636 -11.063 13.441 1.00 0.00 N ATOM 1347 CA GLY A 532 -9.692 -11.898 12.899 1.00 0.00 C ATOM 1348 C GLY A 532 -10.332 -11.296 11.664 1.00 0.00 C ATOM 1349 O GLY A 532 -11.543 -11.401 11.470 1.00 0.00 O ATOM 0 H GLY A 532 -7.689 -11.392 13.252 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -9.285 -12.878 12.652 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -10.456 -12.053 13.661 1.00 0.00 H new ATOM 1353 N ARG A 533 -9.517 -10.662 10.827 1.00 0.00 N ATOM 1354 CA ARG A 533 -10.011 -10.038 9.605 1.00 0.00 C ATOM 1355 C ARG A 533 -9.137 -10.412 8.412 1.00 0.00 C ATOM 1356 O ARG A 533 -7.943 -10.675 8.562 1.00 0.00 O ATOM 1357 CB ARG A 533 -10.052 -8.517 9.764 1.00 0.00 C ATOM 1358 CG ARG A 533 -11.344 -8.004 10.379 1.00 0.00 C ATOM 1359 CD ARG A 533 -11.701 -6.623 9.851 1.00 0.00 C ATOM 1360 NE ARG A 533 -12.547 -6.694 8.662 1.00 0.00 N ATOM 1361 CZ ARG A 533 -13.821 -7.070 8.688 1.00 0.00 C ATOM 1362 NH1 ARG A 533 -14.393 -7.406 9.836 1.00 0.00 N ATOM 1363 NH2 ARG A 533 -14.526 -7.109 7.565 1.00 0.00 N ATOM 0 H ARG A 533 -8.512 -10.567 10.973 1.00 0.00 H new ATOM 0 HA ARG A 533 -11.021 -10.405 9.423 1.00 0.00 H new ATOM 0 HB2 ARG A 533 -9.214 -8.202 10.385 1.00 0.00 H new ATOM 0 HB3 ARG A 533 -9.916 -8.054 8.787 1.00 0.00 H new ATOM 0 HG2 ARG A 533 -12.154 -8.699 10.160 1.00 0.00 H new ATOM 0 HG3 ARG A 533 -11.242 -7.965 11.464 1.00 0.00 H new ATOM 0 HD2 ARG A 533 -12.216 -6.059 10.629 1.00 0.00 H new ATOM 0 HD3 ARG A 533 -10.787 -6.078 9.614 1.00 0.00 H new ATOM 0 HE ARG A 533 -12.137 -6.441 7.763 1.00 0.00 H new ATOM 0 HH11 ARG A 533 -13.855 -7.376 10.702 1.00 0.00 H new ATOM 0 HH12 ARG A 533 -15.371 -7.694 9.853 1.00 0.00 H new ATOM 0 HH21 ARG A 533 -14.090 -6.850 6.680 1.00 0.00 H new ATOM 0 HH22 ARG A 533 -15.504 -7.398 7.587 1.00 0.00 H new ATOM 1377 N ARG A 534 -9.739 -10.434 7.227 1.00 0.00 N ATOM 1378 CA ARG A 534 -9.016 -10.777 6.009 1.00 0.00 C ATOM 1379 C ARG A 534 -8.635 -9.522 5.231 1.00 0.00 C ATOM 1380 O ARG A 534 -9.459 -8.943 4.521 1.00 0.00 O ATOM 1381 CB ARG A 534 -9.865 -11.697 5.129 1.00 0.00 C ATOM 1382 CG ARG A 534 -9.045 -12.654 4.279 1.00 0.00 C ATOM 1383 CD ARG A 534 -8.344 -11.928 3.142 1.00 0.00 C ATOM 1384 NE ARG A 534 -9.237 -11.691 2.011 1.00 0.00 N ATOM 1385 CZ ARG A 534 -9.738 -12.661 1.254 1.00 0.00 C ATOM 1386 NH1 ARG A 534 -9.435 -13.927 1.507 1.00 0.00 N ATOM 1387 NH2 ARG A 534 -10.544 -12.366 0.242 1.00 0.00 N ATOM 0 H ARG A 534 -10.726 -10.218 7.085 1.00 0.00 H new ATOM 0 HA ARG A 534 -8.102 -11.298 6.294 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -10.538 -12.274 5.764 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -10.488 -11.087 4.475 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -8.305 -13.154 4.904 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -9.695 -13.429 3.872 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -7.957 -10.976 3.504 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -7.487 -12.515 2.811 1.00 0.00 H new ATOM 0 HE ARG A 534 -9.490 -10.728 1.790 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -8.816 -14.158 2.284 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -9.821 -14.670 0.924 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -10.780 -11.393 0.044 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -10.928 -13.112 -0.338 1.00 0.00 H new ATOM 1401 N LEU A 535 -7.381 -9.105 5.369 1.00 0.00 N ATOM 1402 CA LEU A 535 -6.889 -7.917 4.680 1.00 0.00 C ATOM 1403 C LEU A 535 -6.650 -8.205 3.201 1.00 0.00 C ATOM 1404 O LEU A 535 -6.113 -9.252 2.841 1.00 0.00 O ATOM 1405 CB LEU A 535 -5.596 -7.424 5.330 1.00 0.00 C ATOM 1406 CG LEU A 535 -5.656 -7.174 6.838 1.00 0.00 C ATOM 1407 CD1 LEU A 535 -4.266 -6.893 7.388 1.00 0.00 C ATOM 1408 CD2 LEU A 535 -6.599 -6.021 7.151 1.00 0.00 C ATOM 0 H LEU A 535 -6.686 -9.572 5.952 1.00 0.00 H new ATOM 0 HA LEU A 535 -7.649 -7.140 4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 535 -4.812 -8.156 5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 535 -5.297 -6.498 4.840 1.00 0.00 H new ATOM 0 HG LEU A 535 -6.041 -8.072 7.321 1.00 0.00 H new ATOM 0 HD11 LEU A 535 -4.328 -6.718 8.462 1.00 0.00 H new ATOM 0 HD12 LEU A 535 -3.619 -7.749 7.197 1.00 0.00 H new ATOM 0 HD13 LEU A 535 -3.853 -6.010 6.900 1.00 0.00 H new ATOM 0 HD21 LEU A 535 -6.629 -5.858 8.228 1.00 0.00 H new ATOM 0 HD22 LEU A 535 -6.245 -5.117 6.657 1.00 0.00 H new ATOM 0 HD23 LEU A 535 -7.600 -6.262 6.793 1.00 0.00 H new ATOM 1420 N VAL A 536 -7.051 -7.267 2.348 1.00 0.00 N ATOM 1421 CA VAL A 536 -6.878 -7.419 0.908 1.00 0.00 C ATOM 1422 C VAL A 536 -5.706 -6.583 0.405 1.00 0.00 C ATOM 1423 O VAL A 536 -5.623 -5.384 0.676 1.00 0.00 O ATOM 1424 CB VAL A 536 -8.151 -7.011 0.144 1.00 0.00 C ATOM 1425 CG1 VAL A 536 -7.947 -7.169 -1.356 1.00 0.00 C ATOM 1426 CG2 VAL A 536 -9.342 -7.831 0.617 1.00 0.00 C ATOM 0 H VAL A 536 -7.498 -6.394 2.629 1.00 0.00 H new ATOM 0 HA VAL A 536 -6.675 -8.474 0.722 1.00 0.00 H new ATOM 0 HB VAL A 536 -8.357 -5.961 0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 536 -8.857 -6.876 -1.880 1.00 0.00 H new ATOM 0 HG12 VAL A 536 -7.122 -6.535 -1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 536 -7.716 -8.210 -1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 536 -10.233 -7.529 0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 536 -9.148 -8.889 0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -9.500 -7.663 1.682 1.00 0.00 H new ATOM 1436 N LEU A 537 -4.803 -7.222 -0.329 1.00 0.00 N ATOM 1437 CA LEU A 537 -3.635 -6.538 -0.872 1.00 0.00 C ATOM 1438 C LEU A 537 -3.751 -6.378 -2.385 1.00 0.00 C ATOM 1439 O LEU A 537 -3.801 -7.363 -3.120 1.00 0.00 O ATOM 1440 CB LEU A 537 -2.360 -7.310 -0.526 1.00 0.00 C ATOM 1441 CG LEU A 537 -1.683 -6.931 0.791 1.00 0.00 C ATOM 1442 CD1 LEU A 537 -2.244 -7.758 1.937 1.00 0.00 C ATOM 1443 CD2 LEU A 537 -0.176 -7.114 0.688 1.00 0.00 C ATOM 0 H LEU A 537 -4.857 -8.214 -0.562 1.00 0.00 H new ATOM 0 HA LEU A 537 -3.585 -5.546 -0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -2.600 -8.373 -0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -1.643 -7.168 -1.334 1.00 0.00 H new ATOM 0 HG LEU A 537 -1.889 -5.880 0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 537 -1.750 -7.474 2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 537 -3.315 -7.577 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -2.069 -8.816 1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 537 0.289 -6.839 1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 537 0.049 -8.156 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 537 0.214 -6.478 -0.106 1.00 0.00 H new ATOM 1455 N GLU A 538 -3.792 -5.130 -2.842 1.00 0.00 N ATOM 1456 CA GLU A 538 -3.901 -4.842 -4.267 1.00 0.00 C ATOM 1457 C GLU A 538 -3.025 -3.653 -4.650 1.00 0.00 C ATOM 1458 O GLU A 538 -2.982 -2.647 -3.942 1.00 0.00 O ATOM 1459 CB GLU A 538 -5.357 -4.560 -4.643 1.00 0.00 C ATOM 1460 CG GLU A 538 -6.159 -5.812 -4.955 1.00 0.00 C ATOM 1461 CD GLU A 538 -5.459 -6.722 -5.946 1.00 0.00 C ATOM 1462 OE1 GLU A 538 -5.169 -6.261 -7.070 1.00 0.00 O ATOM 1463 OE2 GLU A 538 -5.201 -7.893 -5.598 1.00 0.00 O ATOM 0 H GLU A 538 -3.751 -4.303 -2.246 1.00 0.00 H new ATOM 0 HA GLU A 538 -3.555 -5.718 -4.816 1.00 0.00 H new ATOM 0 HB2 GLU A 538 -5.838 -4.026 -3.824 1.00 0.00 H new ATOM 0 HB3 GLU A 538 -5.378 -3.900 -5.510 1.00 0.00 H new ATOM 0 HG2 GLU A 538 -6.343 -6.360 -4.031 1.00 0.00 H new ATOM 0 HG3 GLU A 538 -7.132 -5.526 -5.355 1.00 0.00 H new ATOM 1470 N TRP A 539 -2.330 -3.776 -5.775 1.00 0.00 N ATOM 1471 CA TRP A 539 -1.455 -2.712 -6.253 1.00 0.00 C ATOM 1472 C TRP A 539 -2.264 -1.492 -6.679 1.00 0.00 C ATOM 1473 O TRP A 539 -2.937 -1.511 -7.709 1.00 0.00 O ATOM 1474 CB TRP A 539 -0.605 -3.209 -7.423 1.00 0.00 C ATOM 1475 CG TRP A 539 0.226 -4.411 -7.085 1.00 0.00 C ATOM 1476 CD1 TRP A 539 -0.135 -5.721 -7.222 1.00 0.00 C ATOM 1477 CD2 TRP A 539 1.555 -4.411 -6.554 1.00 0.00 C ATOM 1478 NE1 TRP A 539 0.890 -6.536 -6.807 1.00 0.00 N ATOM 1479 CE2 TRP A 539 1.938 -5.757 -6.393 1.00 0.00 C ATOM 1480 CE3 TRP A 539 2.459 -3.407 -6.199 1.00 0.00 C ATOM 1481 CZ2 TRP A 539 3.186 -6.121 -5.893 1.00 0.00 C ATOM 1482 CZ3 TRP A 539 3.697 -3.769 -5.703 1.00 0.00 C ATOM 1483 CH2 TRP A 539 4.051 -5.117 -5.554 1.00 0.00 C ATOM 0 H TRP A 539 -2.355 -4.602 -6.373 1.00 0.00 H new ATOM 0 HA TRP A 539 -0.798 -2.421 -5.434 1.00 0.00 H new ATOM 0 HB2 TRP A 539 -1.259 -3.452 -8.260 1.00 0.00 H new ATOM 0 HB3 TRP A 539 0.051 -2.404 -7.754 1.00 0.00 H new ATOM 0 HD1 TRP A 539 -1.086 -6.065 -7.601 1.00 0.00 H new ATOM 0 HE1 TRP A 539 0.873 -7.556 -6.807 1.00 0.00 H new ATOM 0 HE3 TRP A 539 2.195 -2.366 -6.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 539 3.461 -7.159 -5.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 539 4.403 -3.001 -5.426 1.00 0.00 H new ATOM 0 HH2 TRP A 539 5.026 -5.368 -5.164 1.00 0.00 H new