USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 407 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 504 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 507 THR OG1 : rot 180:sc= -0.968 USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 474 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 477 HIS : no HD1:sc= -0.125 X(o=-0.13,f=0.018) USER MOD Single : A 479 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 489 THR OG1 : rot 180:sc= 0 USER MOD Single : A 498 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 508 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 509 HIS : no HD1:sc= -1.57 X(o=-1.6,f=-1.3) USER MOD Single : A 512 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 519 GLN : amide:sc= 0 K(o=0,f=0.94) USER MOD ----------------------------------------------------------------- ATOM 243 N PHE A 472 0.101 6.672 1.122 1.00 0.00 N ATOM 244 CA PHE A 472 -0.316 5.277 1.186 1.00 0.00 C ATOM 245 C PHE A 472 -1.566 5.122 2.047 1.00 0.00 C ATOM 246 O PHE A 472 -1.486 5.074 3.275 1.00 0.00 O ATOM 247 CB PHE A 472 0.814 4.410 1.746 1.00 0.00 C ATOM 248 CG PHE A 472 2.157 4.715 1.147 1.00 0.00 C ATOM 249 CD1 PHE A 472 2.255 5.389 -0.059 1.00 0.00 C ATOM 250 CD2 PHE A 472 3.321 4.327 1.790 1.00 0.00 C ATOM 251 CE1 PHE A 472 3.489 5.672 -0.613 1.00 0.00 C ATOM 252 CE2 PHE A 472 4.558 4.607 1.242 1.00 0.00 C ATOM 253 CZ PHE A 472 4.643 5.280 0.038 1.00 0.00 C ATOM 0 HA PHE A 472 -0.550 4.947 0.174 1.00 0.00 H new ATOM 0 HB2 PHE A 472 0.867 4.549 2.826 1.00 0.00 H new ATOM 0 HB3 PHE A 472 0.577 3.361 1.571 1.00 0.00 H new ATOM 0 HD1 PHE A 472 1.356 5.697 -0.573 1.00 0.00 H new ATOM 0 HD2 PHE A 472 3.261 3.800 2.731 1.00 0.00 H new ATOM 0 HE1 PHE A 472 3.551 6.199 -1.554 1.00 0.00 H new ATOM 0 HE2 PHE A 472 5.458 4.300 1.754 1.00 0.00 H new ATOM 0 HZ PHE A 472 5.609 5.499 -0.393 1.00 0.00 H new ATOM 263 N LYS A 473 -2.721 5.044 1.395 1.00 0.00 N ATOM 264 CA LYS A 473 -3.989 4.893 2.098 1.00 0.00 C ATOM 265 C LYS A 473 -4.733 3.651 1.619 1.00 0.00 C ATOM 266 O LYS A 473 -4.730 3.334 0.430 1.00 0.00 O ATOM 267 CB LYS A 473 -4.861 6.134 1.892 1.00 0.00 C ATOM 268 CG LYS A 473 -5.463 6.229 0.501 1.00 0.00 C ATOM 269 CD LYS A 473 -6.238 7.523 0.316 1.00 0.00 C ATOM 270 CE LYS A 473 -6.810 7.635 -1.089 1.00 0.00 C ATOM 271 NZ LYS A 473 -7.923 8.622 -1.158 1.00 0.00 N ATOM 0 H LYS A 473 -2.805 5.083 0.379 1.00 0.00 H new ATOM 0 HA LYS A 473 -3.775 4.779 3.161 1.00 0.00 H new ATOM 0 HB2 LYS A 473 -5.665 6.129 2.628 1.00 0.00 H new ATOM 0 HB3 LYS A 473 -4.262 7.025 2.081 1.00 0.00 H new ATOM 0 HG2 LYS A 473 -4.670 6.169 -0.244 1.00 0.00 H new ATOM 0 HG3 LYS A 473 -6.125 5.380 0.331 1.00 0.00 H new ATOM 0 HD2 LYS A 473 -7.048 7.571 1.044 1.00 0.00 H new ATOM 0 HD3 LYS A 473 -5.583 8.372 0.512 1.00 0.00 H new ATOM 0 HE2 LYS A 473 -6.020 7.929 -1.780 1.00 0.00 H new ATOM 0 HE3 LYS A 473 -7.170 6.659 -1.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 -8.285 8.669 -2.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 -8.688 8.328 -0.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 -7.574 9.559 -0.873 1.00 0.00 H new ATOM 285 N MET A 474 -5.371 2.952 2.553 1.00 0.00 N ATOM 286 CA MET A 474 -6.122 1.746 2.224 1.00 0.00 C ATOM 287 C MET A 474 -6.777 1.870 0.853 1.00 0.00 C ATOM 288 O MET A 474 -7.461 2.853 0.568 1.00 0.00 O ATOM 289 CB MET A 474 -7.187 1.477 3.289 1.00 0.00 C ATOM 290 CG MET A 474 -7.689 0.042 3.297 1.00 0.00 C ATOM 291 SD MET A 474 -9.050 -0.211 4.452 1.00 0.00 S ATOM 292 CE MET A 474 -9.780 -1.708 3.792 1.00 0.00 C ATOM 0 H MET A 474 -5.383 3.200 3.542 1.00 0.00 H new ATOM 0 HA MET A 474 -5.424 0.909 2.198 1.00 0.00 H new ATOM 0 HB2 MET A 474 -6.776 1.715 4.270 1.00 0.00 H new ATOM 0 HB3 MET A 474 -8.031 2.148 3.125 1.00 0.00 H new ATOM 0 HG2 MET A 474 -8.014 -0.231 2.293 1.00 0.00 H new ATOM 0 HG3 MET A 474 -6.867 -0.625 3.558 1.00 0.00 H new ATOM 0 HE1 MET A 474 -10.638 -1.994 4.401 1.00 0.00 H new ATOM 0 HE2 MET A 474 -10.105 -1.533 2.767 1.00 0.00 H new ATOM 0 HE3 MET A 474 -9.042 -2.510 3.806 1.00 0.00 H new ATOM 302 N GLY A 475 -6.563 0.868 0.006 1.00 0.00 N ATOM 303 CA GLY A 475 -7.140 0.885 -1.326 1.00 0.00 C ATOM 304 C GLY A 475 -6.106 1.154 -2.402 1.00 0.00 C ATOM 305 O GLY A 475 -6.033 0.431 -3.396 1.00 0.00 O ATOM 0 H GLY A 475 -6.000 0.044 0.218 1.00 0.00 H new ATOM 0 HA2 GLY A 475 -7.623 -0.072 -1.522 1.00 0.00 H new ATOM 0 HA3 GLY A 475 -7.916 1.649 -1.373 1.00 0.00 H new ATOM 309 N ASP A 476 -5.306 2.195 -2.204 1.00 0.00 N ATOM 310 CA ASP A 476 -4.272 2.558 -3.166 1.00 0.00 C ATOM 311 C ASP A 476 -3.238 1.444 -3.299 1.00 0.00 C ATOM 312 O ASP A 476 -3.039 0.655 -2.375 1.00 0.00 O ATOM 313 CB ASP A 476 -3.586 3.859 -2.745 1.00 0.00 C ATOM 314 CG ASP A 476 -4.343 5.088 -3.208 1.00 0.00 C ATOM 315 OD1 ASP A 476 -5.567 5.156 -2.971 1.00 0.00 O ATOM 316 OD2 ASP A 476 -3.711 5.983 -3.808 1.00 0.00 O ATOM 0 H ASP A 476 -5.353 2.803 -1.386 1.00 0.00 H new ATOM 0 HA ASP A 476 -4.749 2.705 -4.135 1.00 0.00 H new ATOM 0 HB2 ASP A 476 -3.491 3.882 -1.659 1.00 0.00 H new ATOM 0 HB3 ASP A 476 -2.576 3.883 -3.154 1.00 0.00 H new ATOM 321 N HIS A 477 -2.585 1.384 -4.455 1.00 0.00 N ATOM 322 CA HIS A 477 -1.572 0.366 -4.709 1.00 0.00 C ATOM 323 C HIS A 477 -0.176 0.897 -4.396 1.00 0.00 C ATOM 324 O HIS A 477 0.156 2.034 -4.732 1.00 0.00 O ATOM 325 CB HIS A 477 -1.639 -0.099 -6.164 1.00 0.00 C ATOM 326 CG HIS A 477 -0.647 -1.171 -6.496 1.00 0.00 C ATOM 327 ND1 HIS A 477 0.119 -1.158 -7.643 1.00 0.00 N ATOM 328 CD2 HIS A 477 -0.298 -2.293 -5.825 1.00 0.00 C ATOM 329 CE1 HIS A 477 0.896 -2.226 -7.662 1.00 0.00 C ATOM 330 NE2 HIS A 477 0.663 -2.931 -6.570 1.00 0.00 N ATOM 0 H HIS A 477 -2.739 2.028 -5.231 1.00 0.00 H new ATOM 0 HA HIS A 477 -1.774 -0.482 -4.055 1.00 0.00 H new ATOM 0 HB2 HIS A 477 -2.643 -0.467 -6.373 1.00 0.00 H new ATOM 0 HB3 HIS A 477 -1.470 0.756 -6.818 1.00 0.00 H new ATOM 0 HD2 HIS A 477 -0.700 -2.625 -4.879 1.00 0.00 H new ATOM 0 HE1 HIS A 477 1.602 -2.480 -8.439 1.00 0.00 H new ATOM 0 HE2 HIS A 477 1.122 -3.807 -6.320 1.00 0.00 H new ATOM 338 N VAL A 478 0.637 0.068 -3.749 1.00 0.00 N ATOM 339 CA VAL A 478 1.996 0.454 -3.391 1.00 0.00 C ATOM 340 C VAL A 478 2.993 -0.640 -3.756 1.00 0.00 C ATOM 341 O VAL A 478 2.632 -1.812 -3.867 1.00 0.00 O ATOM 342 CB VAL A 478 2.115 0.761 -1.887 1.00 0.00 C ATOM 343 CG1 VAL A 478 1.331 2.015 -1.534 1.00 0.00 C ATOM 344 CG2 VAL A 478 1.638 -0.426 -1.063 1.00 0.00 C ATOM 0 H VAL A 478 0.377 -0.876 -3.462 1.00 0.00 H new ATOM 0 HA VAL A 478 2.228 1.356 -3.957 1.00 0.00 H new ATOM 0 HB VAL A 478 3.164 0.940 -1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 478 1.427 2.216 -0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 478 1.723 2.860 -2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 478 0.280 1.869 -1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 478 1.729 -0.192 -0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 478 0.595 -0.638 -1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 478 2.248 -1.299 -1.296 1.00 0.00 H new ATOM 354 N LYS A 479 4.250 -0.251 -3.941 1.00 0.00 N ATOM 355 CA LYS A 479 5.301 -1.198 -4.291 1.00 0.00 C ATOM 356 C LYS A 479 6.494 -1.059 -3.351 1.00 0.00 C ATOM 357 O LYS A 479 6.787 0.031 -2.861 1.00 0.00 O ATOM 358 CB LYS A 479 5.750 -0.981 -5.738 1.00 0.00 C ATOM 359 CG LYS A 479 7.195 -1.374 -5.992 1.00 0.00 C ATOM 360 CD LYS A 479 7.433 -1.707 -7.455 1.00 0.00 C ATOM 361 CE LYS A 479 8.918 -1.826 -7.765 1.00 0.00 C ATOM 362 NZ LYS A 479 9.175 -1.891 -9.231 1.00 0.00 N ATOM 0 H LYS A 479 4.566 0.715 -3.854 1.00 0.00 H new ATOM 0 HA LYS A 479 4.897 -2.205 -4.190 1.00 0.00 H new ATOM 0 HB2 LYS A 479 5.104 -1.557 -6.400 1.00 0.00 H new ATOM 0 HB3 LYS A 479 5.617 0.069 -5.997 1.00 0.00 H new ATOM 0 HG2 LYS A 479 7.853 -0.559 -5.692 1.00 0.00 H new ATOM 0 HG3 LYS A 479 7.453 -2.235 -5.375 1.00 0.00 H new ATOM 0 HD2 LYS A 479 6.932 -2.643 -7.702 1.00 0.00 H new ATOM 0 HD3 LYS A 479 6.990 -0.933 -8.082 1.00 0.00 H new ATOM 0 HE2 LYS A 479 9.447 -0.973 -7.341 1.00 0.00 H new ATOM 0 HE3 LYS A 479 9.319 -2.719 -7.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 479 10.198 -1.972 -9.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 479 8.691 -2.720 -9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 479 8.816 -1.027 -9.685 1.00 0.00 H new ATOM 376 N VAL A 480 7.181 -2.171 -3.105 1.00 0.00 N ATOM 377 CA VAL A 480 8.344 -2.172 -2.226 1.00 0.00 C ATOM 378 C VAL A 480 9.635 -2.028 -3.023 1.00 0.00 C ATOM 379 O VAL A 480 10.027 -2.935 -3.759 1.00 0.00 O ATOM 380 CB VAL A 480 8.412 -3.462 -1.388 1.00 0.00 C ATOM 381 CG1 VAL A 480 9.549 -3.385 -0.380 1.00 0.00 C ATOM 382 CG2 VAL A 480 7.085 -3.713 -0.688 1.00 0.00 C ATOM 0 H VAL A 480 6.952 -3.082 -3.502 1.00 0.00 H new ATOM 0 HA VAL A 480 8.236 -1.318 -1.557 1.00 0.00 H new ATOM 0 HB VAL A 480 8.608 -4.299 -2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.581 -4.305 0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 480 10.494 -3.256 -0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.387 -2.538 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 480 7.151 -4.629 -0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 480 6.857 -2.875 -0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 480 6.295 -3.816 -1.432 1.00 0.00 H new ATOM 392 N ILE A 481 10.293 -0.884 -2.872 1.00 0.00 N ATOM 393 CA ILE A 481 11.542 -0.622 -3.577 1.00 0.00 C ATOM 394 C ILE A 481 12.746 -0.983 -2.714 1.00 0.00 C ATOM 395 O ILE A 481 13.825 -1.278 -3.227 1.00 0.00 O ATOM 396 CB ILE A 481 11.651 0.855 -3.999 1.00 0.00 C ATOM 397 CG1 ILE A 481 11.643 1.762 -2.767 1.00 0.00 C ATOM 398 CG2 ILE A 481 10.515 1.222 -4.941 1.00 0.00 C ATOM 399 CD1 ILE A 481 12.055 3.187 -3.063 1.00 0.00 C ATOM 0 H ILE A 481 9.982 -0.123 -2.268 1.00 0.00 H new ATOM 0 HA ILE A 481 11.538 -1.247 -4.470 1.00 0.00 H new ATOM 0 HB ILE A 481 12.594 0.998 -4.526 1.00 0.00 H new ATOM 0 HG12 ILE A 481 10.643 1.764 -2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 481 12.315 1.347 -2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 481 10.606 2.269 -5.230 1.00 0.00 H new ATOM 0 HG22 ILE A 481 10.563 0.594 -5.831 1.00 0.00 H new ATOM 0 HG23 ILE A 481 9.561 1.066 -4.438 1.00 0.00 H new ATOM 0 HD11 ILE A 481 12.026 3.772 -2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 481 13.067 3.197 -3.468 1.00 0.00 H new ATOM 0 HD13 ILE A 481 11.369 3.620 -3.791 1.00 0.00 H new ATOM 411 N ALA A 482 12.554 -0.959 -1.399 1.00 0.00 N ATOM 412 CA ALA A 482 13.622 -1.287 -0.464 1.00 0.00 C ATOM 413 C ALA A 482 13.084 -2.058 0.737 1.00 0.00 C ATOM 414 O ALA A 482 11.883 -2.300 0.844 1.00 0.00 O ATOM 415 CB ALA A 482 14.331 -0.021 -0.006 1.00 0.00 C ATOM 0 H ALA A 482 11.667 -0.715 -0.957 1.00 0.00 H new ATOM 0 HA ALA A 482 14.339 -1.925 -0.981 1.00 0.00 H new ATOM 0 HB1 ALA A 482 15.126 -0.282 0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 482 14.759 0.489 -0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 482 13.617 0.638 0.488 1.00 0.00 H new ATOM 421 N GLY A 483 13.982 -2.442 1.639 1.00 0.00 N ATOM 422 CA GLY A 483 13.578 -3.182 2.820 1.00 0.00 C ATOM 423 C GLY A 483 13.825 -4.671 2.684 1.00 0.00 C ATOM 424 O GLY A 483 14.699 -5.096 1.927 1.00 0.00 O ATOM 0 H GLY A 483 14.982 -2.254 1.573 1.00 0.00 H new ATOM 0 HA2 GLY A 483 14.122 -2.804 3.685 1.00 0.00 H new ATOM 0 HA3 GLY A 483 12.519 -3.008 3.009 1.00 0.00 H new ATOM 428 N ARG A 484 13.056 -5.467 3.419 1.00 0.00 N ATOM 429 CA ARG A 484 13.198 -6.918 3.379 1.00 0.00 C ATOM 430 C ARG A 484 12.371 -7.514 2.243 1.00 0.00 C ATOM 431 O ARG A 484 12.713 -8.563 1.697 1.00 0.00 O ATOM 432 CB ARG A 484 12.767 -7.531 4.713 1.00 0.00 C ATOM 433 CG ARG A 484 13.295 -8.939 4.935 1.00 0.00 C ATOM 434 CD ARG A 484 12.332 -9.985 4.396 1.00 0.00 C ATOM 435 NE ARG A 484 12.985 -11.276 4.191 1.00 0.00 N ATOM 436 CZ ARG A 484 12.340 -12.375 3.818 1.00 0.00 C ATOM 437 NH1 ARG A 484 11.031 -12.341 3.610 1.00 0.00 N ATOM 438 NH2 ARG A 484 13.004 -13.512 3.652 1.00 0.00 N ATOM 0 H ARG A 484 12.328 -5.132 4.050 1.00 0.00 H new ATOM 0 HA ARG A 484 14.248 -7.150 3.202 1.00 0.00 H new ATOM 0 HB2 ARG A 484 13.111 -6.891 5.525 1.00 0.00 H new ATOM 0 HB3 ARG A 484 11.678 -7.549 4.760 1.00 0.00 H new ATOM 0 HG2 ARG A 484 14.263 -9.047 4.446 1.00 0.00 H new ATOM 0 HG3 ARG A 484 13.456 -9.105 6.000 1.00 0.00 H new ATOM 0 HD2 ARG A 484 11.501 -10.105 5.091 1.00 0.00 H new ATOM 0 HD3 ARG A 484 11.911 -9.638 3.453 1.00 0.00 H new ATOM 0 HE ARG A 484 13.992 -11.336 4.343 1.00 0.00 H new ATOM 0 HH11 ARG A 484 10.517 -11.469 3.736 1.00 0.00 H new ATOM 0 HH12 ARG A 484 10.538 -13.187 3.323 1.00 0.00 H new ATOM 0 HH21 ARG A 484 14.011 -13.542 3.811 1.00 0.00 H new ATOM 0 HH22 ARG A 484 12.507 -14.356 3.365 1.00 0.00 H new ATOM 452 N PHE A 485 11.282 -6.838 1.893 1.00 0.00 N ATOM 453 CA PHE A 485 10.406 -7.301 0.824 1.00 0.00 C ATOM 454 C PHE A 485 10.676 -6.538 -0.470 1.00 0.00 C ATOM 455 O PHE A 485 9.761 -6.275 -1.250 1.00 0.00 O ATOM 456 CB PHE A 485 8.939 -7.136 1.229 1.00 0.00 C ATOM 457 CG PHE A 485 8.642 -7.628 2.617 1.00 0.00 C ATOM 458 CD1 PHE A 485 9.050 -6.903 3.725 1.00 0.00 C ATOM 459 CD2 PHE A 485 7.957 -8.816 2.813 1.00 0.00 C ATOM 460 CE1 PHE A 485 8.778 -7.352 5.004 1.00 0.00 C ATOM 461 CE2 PHE A 485 7.681 -9.270 4.089 1.00 0.00 C ATOM 462 CZ PHE A 485 8.094 -8.538 5.186 1.00 0.00 C ATOM 0 H PHE A 485 10.985 -5.968 2.334 1.00 0.00 H new ATOM 0 HA PHE A 485 10.612 -8.358 0.653 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.667 -6.083 1.159 1.00 0.00 H new ATOM 0 HB3 PHE A 485 8.311 -7.675 0.519 1.00 0.00 H new ATOM 0 HD1 PHE A 485 9.587 -5.976 3.588 1.00 0.00 H new ATOM 0 HD2 PHE A 485 7.635 -9.394 1.959 1.00 0.00 H new ATOM 0 HE1 PHE A 485 9.100 -6.776 5.859 1.00 0.00 H new ATOM 0 HE2 PHE A 485 7.143 -10.196 4.229 1.00 0.00 H new ATOM 0 HZ PHE A 485 7.882 -8.893 6.184 1.00 0.00 H new ATOM 472 N GLU A 486 11.939 -6.186 -0.689 1.00 0.00 N ATOM 473 CA GLU A 486 12.330 -5.452 -1.887 1.00 0.00 C ATOM 474 C GLU A 486 11.884 -6.190 -3.147 1.00 0.00 C ATOM 475 O GLU A 486 12.015 -7.409 -3.244 1.00 0.00 O ATOM 476 CB GLU A 486 13.845 -5.244 -1.913 1.00 0.00 C ATOM 477 CG GLU A 486 14.340 -4.527 -3.158 1.00 0.00 C ATOM 478 CD GLU A 486 14.670 -5.481 -4.289 1.00 0.00 C ATOM 479 OE1 GLU A 486 14.320 -6.675 -4.178 1.00 0.00 O ATOM 480 OE2 GLU A 486 15.278 -5.035 -5.284 1.00 0.00 O ATOM 0 H GLU A 486 12.708 -6.397 -0.053 1.00 0.00 H new ATOM 0 HA GLU A 486 11.838 -4.480 -1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 486 14.140 -4.672 -1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 486 14.338 -6.214 -1.842 1.00 0.00 H new ATOM 0 HG2 GLU A 486 13.579 -3.822 -3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 486 15.227 -3.945 -2.909 1.00 0.00 H new ATOM 487 N GLY A 487 11.358 -5.439 -4.110 1.00 0.00 N ATOM 488 CA GLY A 487 10.900 -6.039 -5.350 1.00 0.00 C ATOM 489 C GLY A 487 9.460 -6.503 -5.273 1.00 0.00 C ATOM 490 O GLY A 487 8.799 -6.672 -6.298 1.00 0.00 O ATOM 0 H GLY A 487 11.241 -4.427 -4.054 1.00 0.00 H new ATOM 0 HA2 GLY A 487 11.003 -5.316 -6.159 1.00 0.00 H new ATOM 0 HA3 GLY A 487 11.539 -6.887 -5.597 1.00 0.00 H new ATOM 494 N ASP A 488 8.972 -6.713 -4.055 1.00 0.00 N ATOM 495 CA ASP A 488 7.600 -7.162 -3.848 1.00 0.00 C ATOM 496 C ASP A 488 6.632 -5.983 -3.875 1.00 0.00 C ATOM 497 O ASP A 488 7.026 -4.836 -3.656 1.00 0.00 O ATOM 498 CB ASP A 488 7.480 -7.906 -2.517 1.00 0.00 C ATOM 499 CG ASP A 488 8.256 -9.208 -2.510 1.00 0.00 C ATOM 500 OD1 ASP A 488 9.492 -9.162 -2.340 1.00 0.00 O ATOM 501 OD2 ASP A 488 7.626 -10.274 -2.674 1.00 0.00 O ATOM 0 H ASP A 488 9.506 -6.579 -3.196 1.00 0.00 H new ATOM 0 HA ASP A 488 7.340 -7.841 -4.660 1.00 0.00 H new ATOM 0 HB2 ASP A 488 7.842 -7.266 -1.712 1.00 0.00 H new ATOM 0 HB3 ASP A 488 6.429 -8.111 -2.312 1.00 0.00 H new ATOM 506 N THR A 489 5.363 -6.271 -4.145 1.00 0.00 N ATOM 507 CA THR A 489 4.339 -5.235 -4.203 1.00 0.00 C ATOM 508 C THR A 489 3.002 -5.754 -3.686 1.00 0.00 C ATOM 509 O THR A 489 2.771 -6.962 -3.638 1.00 0.00 O ATOM 510 CB THR A 489 4.153 -4.709 -5.638 1.00 0.00 C ATOM 511 OG1 THR A 489 3.515 -5.705 -6.446 1.00 0.00 O ATOM 512 CG2 THR A 489 5.492 -4.331 -6.254 1.00 0.00 C ATOM 0 H THR A 489 5.019 -7.214 -4.327 1.00 0.00 H new ATOM 0 HA THR A 489 4.679 -4.418 -3.566 1.00 0.00 H new ATOM 0 HB THR A 489 3.526 -3.819 -5.596 1.00 0.00 H new ATOM 0 HG1 THR A 489 3.399 -5.362 -7.357 1.00 0.00 H new ATOM 0 HG21 THR A 489 5.335 -3.962 -7.268 1.00 0.00 H new ATOM 0 HG22 THR A 489 5.962 -3.552 -5.653 1.00 0.00 H new ATOM 0 HG23 THR A 489 6.140 -5.207 -6.283 1.00 0.00 H new ATOM 520 N GLY A 490 2.124 -4.834 -3.301 1.00 0.00 N ATOM 521 CA GLY A 490 0.820 -5.219 -2.794 1.00 0.00 C ATOM 522 C GLY A 490 -0.101 -4.030 -2.602 1.00 0.00 C ATOM 523 O GLY A 490 0.288 -2.887 -2.847 1.00 0.00 O ATOM 0 H GLY A 490 2.292 -3.828 -3.331 1.00 0.00 H new ATOM 0 HA2 GLY A 490 0.359 -5.924 -3.485 1.00 0.00 H new ATOM 0 HA3 GLY A 490 0.942 -5.738 -1.843 1.00 0.00 H new ATOM 527 N LEU A 491 -1.326 -4.298 -2.163 1.00 0.00 N ATOM 528 CA LEU A 491 -2.307 -3.242 -1.940 1.00 0.00 C ATOM 529 C LEU A 491 -2.342 -2.833 -0.471 1.00 0.00 C ATOM 530 O LEU A 491 -1.987 -3.617 0.410 1.00 0.00 O ATOM 531 CB LEU A 491 -3.695 -3.705 -2.385 1.00 0.00 C ATOM 532 CG LEU A 491 -4.063 -3.421 -3.842 1.00 0.00 C ATOM 533 CD1 LEU A 491 -5.358 -4.126 -4.213 1.00 0.00 C ATOM 534 CD2 LEU A 491 -4.182 -1.922 -4.079 1.00 0.00 C ATOM 0 H LEU A 491 -1.663 -5.238 -1.954 1.00 0.00 H new ATOM 0 HA LEU A 491 -2.013 -2.376 -2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 491 -3.769 -4.779 -2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 491 -4.437 -3.229 -1.744 1.00 0.00 H new ATOM 0 HG LEU A 491 -3.268 -3.808 -4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 491 -5.604 -3.912 -5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 491 -5.237 -5.201 -4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 491 -6.163 -3.771 -3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 491 -4.444 -1.738 -5.121 1.00 0.00 H new ATOM 0 HD22 LEU A 491 -4.957 -1.512 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 491 -3.230 -1.441 -3.854 1.00 0.00 H new ATOM 546 N ILE A 492 -2.773 -1.603 -0.214 1.00 0.00 N ATOM 547 CA ILE A 492 -2.858 -1.092 1.148 1.00 0.00 C ATOM 548 C ILE A 492 -4.139 -1.558 1.832 1.00 0.00 C ATOM 549 O ILE A 492 -5.238 -1.147 1.461 1.00 0.00 O ATOM 550 CB ILE A 492 -2.805 0.447 1.176 1.00 0.00 C ATOM 551 CG1 ILE A 492 -1.651 0.956 0.310 1.00 0.00 C ATOM 552 CG2 ILE A 492 -2.661 0.946 2.606 1.00 0.00 C ATOM 553 CD1 ILE A 492 -1.716 2.440 0.027 1.00 0.00 C ATOM 0 H ILE A 492 -3.069 -0.941 -0.932 1.00 0.00 H new ATOM 0 HA ILE A 492 -1.997 -1.487 1.687 1.00 0.00 H new ATOM 0 HB ILE A 492 -3.738 0.835 0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 492 -0.708 0.730 0.807 1.00 0.00 H new ATOM 0 HG13 ILE A 492 -1.651 0.414 -0.636 1.00 0.00 H new ATOM 0 HG21 ILE A 492 -2.625 2.035 2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 492 -3.513 0.609 3.196 1.00 0.00 H new ATOM 0 HG23 ILE A 492 -1.742 0.551 3.038 1.00 0.00 H new ATOM 0 HD11 ILE A 492 -0.867 2.730 -0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 492 -2.643 2.670 -0.498 1.00 0.00 H new ATOM 0 HD13 ILE A 492 -1.685 2.991 0.967 1.00 0.00 H new ATOM 565 N VAL A 493 -3.988 -2.418 2.834 1.00 0.00 N ATOM 566 CA VAL A 493 -5.133 -2.939 3.573 1.00 0.00 C ATOM 567 C VAL A 493 -5.301 -2.218 4.906 1.00 0.00 C ATOM 568 O VAL A 493 -6.403 -2.146 5.450 1.00 0.00 O ATOM 569 CB VAL A 493 -4.992 -4.450 3.834 1.00 0.00 C ATOM 570 CG1 VAL A 493 -5.282 -5.240 2.567 1.00 0.00 C ATOM 571 CG2 VAL A 493 -3.604 -4.771 4.366 1.00 0.00 C ATOM 0 H VAL A 493 -3.085 -2.769 3.153 1.00 0.00 H new ATOM 0 HA VAL A 493 -6.014 -2.765 2.955 1.00 0.00 H new ATOM 0 HB VAL A 493 -5.722 -4.740 4.590 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.177 -6.306 2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -6.299 -5.032 2.233 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -4.578 -4.949 1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -3.522 -5.843 4.545 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -2.855 -4.467 3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -3.439 -4.234 5.300 1.00 0.00 H new ATOM 581 N ARG A 494 -4.200 -1.684 5.426 1.00 0.00 N ATOM 582 CA ARG A 494 -4.225 -0.969 6.696 1.00 0.00 C ATOM 583 C ARG A 494 -3.065 0.018 6.788 1.00 0.00 C ATOM 584 O ARG A 494 -2.002 -0.202 6.206 1.00 0.00 O ATOM 585 CB ARG A 494 -4.162 -1.956 7.863 1.00 0.00 C ATOM 586 CG ARG A 494 -4.841 -1.450 9.126 1.00 0.00 C ATOM 587 CD ARG A 494 -4.537 -2.344 10.318 1.00 0.00 C ATOM 588 NE ARG A 494 -5.372 -3.542 10.332 1.00 0.00 N ATOM 589 CZ ARG A 494 -6.611 -3.568 10.809 1.00 0.00 C ATOM 590 NH1 ARG A 494 -7.156 -2.467 11.309 1.00 0.00 N ATOM 591 NH2 ARG A 494 -7.308 -4.697 10.787 1.00 0.00 N ATOM 0 H ARG A 494 -3.280 -1.733 4.987 1.00 0.00 H new ATOM 0 HA ARG A 494 -5.160 -0.411 6.751 1.00 0.00 H new ATOM 0 HB2 ARG A 494 -4.628 -2.894 7.560 1.00 0.00 H new ATOM 0 HB3 ARG A 494 -3.118 -2.177 8.085 1.00 0.00 H new ATOM 0 HG2 ARG A 494 -4.508 -0.434 9.337 1.00 0.00 H new ATOM 0 HG3 ARG A 494 -5.919 -1.406 8.968 1.00 0.00 H new ATOM 0 HD2 ARG A 494 -3.487 -2.635 10.294 1.00 0.00 H new ATOM 0 HD3 ARG A 494 -4.692 -1.784 11.240 1.00 0.00 H new ATOM 0 HE ARG A 494 -4.982 -4.406 9.955 1.00 0.00 H new ATOM 0 HH11 ARG A 494 -6.623 -1.597 11.328 1.00 0.00 H new ATOM 0 HH12 ARG A 494 -8.108 -2.490 11.675 1.00 0.00 H new ATOM 0 HH21 ARG A 494 -6.892 -5.546 10.404 1.00 0.00 H new ATOM 0 HH22 ARG A 494 -8.260 -4.716 11.154 1.00 0.00 H new ATOM 605 N VAL A 495 -3.276 1.106 7.521 1.00 0.00 N ATOM 606 CA VAL A 495 -2.249 2.127 7.689 1.00 0.00 C ATOM 607 C VAL A 495 -2.089 2.509 9.156 1.00 0.00 C ATOM 608 O VAL A 495 -3.073 2.663 9.878 1.00 0.00 O ATOM 609 CB VAL A 495 -2.574 3.391 6.872 1.00 0.00 C ATOM 610 CG1 VAL A 495 -1.313 4.204 6.620 1.00 0.00 C ATOM 611 CG2 VAL A 495 -3.249 3.019 5.561 1.00 0.00 C ATOM 0 H VAL A 495 -4.150 1.303 8.009 1.00 0.00 H new ATOM 0 HA VAL A 495 -1.315 1.699 7.324 1.00 0.00 H new ATOM 0 HB VAL A 495 -3.265 4.007 7.448 1.00 0.00 H new ATOM 0 HG11 VAL A 495 -1.563 5.093 6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 495 -0.876 4.502 7.573 1.00 0.00 H new ATOM 0 HG13 VAL A 495 -0.595 3.600 6.065 1.00 0.00 H new ATOM 0 HG21 VAL A 495 -3.472 3.925 4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 495 -2.584 2.382 4.978 1.00 0.00 H new ATOM 0 HG23 VAL A 495 -4.176 2.484 5.768 1.00 0.00 H new ATOM 621 N GLU A 496 -0.842 2.662 9.590 1.00 0.00 N ATOM 622 CA GLU A 496 -0.553 3.027 10.972 1.00 0.00 C ATOM 623 C GLU A 496 0.453 4.173 11.034 1.00 0.00 C ATOM 624 O GLU A 496 1.404 4.219 10.255 1.00 0.00 O ATOM 625 CB GLU A 496 -0.015 1.818 11.740 1.00 0.00 C ATOM 626 CG GLU A 496 -0.836 0.556 11.542 1.00 0.00 C ATOM 627 CD GLU A 496 -0.739 -0.394 12.720 1.00 0.00 C ATOM 628 OE1 GLU A 496 -0.777 0.083 13.873 1.00 0.00 O ATOM 629 OE2 GLU A 496 -0.626 -1.616 12.488 1.00 0.00 O ATOM 0 H GLU A 496 -0.016 2.539 9.005 1.00 0.00 H new ATOM 0 HA GLU A 496 -1.482 3.358 11.435 1.00 0.00 H new ATOM 0 HB2 GLU A 496 1.011 1.626 11.426 1.00 0.00 H new ATOM 0 HB3 GLU A 496 0.016 2.058 12.803 1.00 0.00 H new ATOM 0 HG2 GLU A 496 -1.880 0.827 11.384 1.00 0.00 H new ATOM 0 HG3 GLU A 496 -0.499 0.046 10.640 1.00 0.00 H new ATOM 636 N GLU A 497 0.234 5.095 11.965 1.00 0.00 N ATOM 637 CA GLU A 497 1.120 6.241 12.128 1.00 0.00 C ATOM 638 C GLU A 497 2.583 5.810 12.073 1.00 0.00 C ATOM 639 O GLU A 497 3.453 6.578 11.665 1.00 0.00 O ATOM 640 CB GLU A 497 0.836 6.951 13.453 1.00 0.00 C ATOM 641 CG GLU A 497 1.581 8.265 13.612 1.00 0.00 C ATOM 642 CD GLU A 497 1.288 8.946 14.935 1.00 0.00 C ATOM 643 OE1 GLU A 497 1.909 8.563 15.949 1.00 0.00 O ATOM 644 OE2 GLU A 497 0.437 9.860 14.957 1.00 0.00 O ATOM 0 H GLU A 497 -0.549 5.071 12.618 1.00 0.00 H new ATOM 0 HA GLU A 497 0.931 6.932 11.307 1.00 0.00 H new ATOM 0 HB2 GLU A 497 -0.235 7.138 13.533 1.00 0.00 H new ATOM 0 HB3 GLU A 497 1.106 6.288 14.275 1.00 0.00 H new ATOM 0 HG2 GLU A 497 2.653 8.083 13.531 1.00 0.00 H new ATOM 0 HG3 GLU A 497 1.309 8.934 12.795 1.00 0.00 H new ATOM 651 N ASN A 498 2.845 4.575 12.487 1.00 0.00 N ATOM 652 CA ASN A 498 4.202 4.040 12.486 1.00 0.00 C ATOM 653 C ASN A 498 4.571 3.493 11.110 1.00 0.00 C ATOM 654 O ASN A 498 5.477 4.003 10.451 1.00 0.00 O ATOM 655 CB ASN A 498 4.339 2.938 13.539 1.00 0.00 C ATOM 656 CG ASN A 498 3.989 3.423 14.932 1.00 0.00 C ATOM 657 OD1 ASN A 498 4.634 4.324 15.468 1.00 0.00 O ATOM 658 ND2 ASN A 498 2.963 2.825 15.526 1.00 0.00 N ATOM 0 H ASN A 498 2.136 3.926 12.827 1.00 0.00 H new ATOM 0 HA ASN A 498 4.886 4.853 12.729 1.00 0.00 H new ATOM 0 HB2 ASN A 498 3.690 2.103 13.274 1.00 0.00 H new ATOM 0 HB3 ASN A 498 5.361 2.560 13.535 1.00 0.00 H new ATOM 0 HD21 ASN A 498 2.681 3.108 16.464 1.00 0.00 H new ATOM 0 HD22 ASN A 498 2.457 2.082 15.044 1.00 0.00 H new ATOM 665 N PHE A 499 3.862 2.454 10.683 1.00 0.00 N ATOM 666 CA PHE A 499 4.114 1.837 9.386 1.00 0.00 C ATOM 667 C PHE A 499 2.804 1.516 8.673 1.00 0.00 C ATOM 668 O PHE A 499 1.722 1.669 9.239 1.00 0.00 O ATOM 669 CB PHE A 499 4.941 0.561 9.557 1.00 0.00 C ATOM 670 CG PHE A 499 4.698 -0.141 10.862 1.00 0.00 C ATOM 671 CD1 PHE A 499 3.645 -1.030 11.000 1.00 0.00 C ATOM 672 CD2 PHE A 499 5.524 0.089 11.951 1.00 0.00 C ATOM 673 CE1 PHE A 499 3.419 -1.677 12.200 1.00 0.00 C ATOM 674 CE2 PHE A 499 5.303 -0.555 13.154 1.00 0.00 C ATOM 675 CZ PHE A 499 4.250 -1.440 13.278 1.00 0.00 C ATOM 0 H PHE A 499 3.108 2.021 11.216 1.00 0.00 H new ATOM 0 HA PHE A 499 4.674 2.546 8.777 1.00 0.00 H new ATOM 0 HB2 PHE A 499 4.714 -0.122 8.739 1.00 0.00 H new ATOM 0 HB3 PHE A 499 5.999 0.810 9.479 1.00 0.00 H new ATOM 0 HD1 PHE A 499 2.993 -1.220 10.160 1.00 0.00 H new ATOM 0 HD2 PHE A 499 6.350 0.779 11.859 1.00 0.00 H new ATOM 0 HE1 PHE A 499 2.594 -2.367 12.295 1.00 0.00 H new ATOM 0 HE2 PHE A 499 5.953 -0.366 13.996 1.00 0.00 H new ATOM 0 HZ PHE A 499 4.076 -1.946 14.216 1.00 0.00 H new ATOM 685 N VAL A 500 2.911 1.071 7.425 1.00 0.00 N ATOM 686 CA VAL A 500 1.736 0.727 6.632 1.00 0.00 C ATOM 687 C VAL A 500 1.700 -0.764 6.321 1.00 0.00 C ATOM 688 O VAL A 500 2.732 -1.375 6.041 1.00 0.00 O ATOM 689 CB VAL A 500 1.700 1.518 5.311 1.00 0.00 C ATOM 690 CG1 VAL A 500 0.392 1.267 4.575 1.00 0.00 C ATOM 691 CG2 VAL A 500 1.897 3.003 5.573 1.00 0.00 C ATOM 0 H VAL A 500 3.799 0.940 6.941 1.00 0.00 H new ATOM 0 HA VAL A 500 0.863 0.991 7.229 1.00 0.00 H new ATOM 0 HB VAL A 500 2.518 1.173 4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 500 0.384 1.834 3.644 1.00 0.00 H new ATOM 0 HG12 VAL A 500 0.297 0.204 4.354 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -0.443 1.583 5.200 1.00 0.00 H new ATOM 0 HG21 VAL A 500 1.869 3.546 4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 500 1.102 3.366 6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 500 2.862 3.163 6.054 1.00 0.00 H new ATOM 701 N ILE A 501 0.506 -1.345 6.371 1.00 0.00 N ATOM 702 CA ILE A 501 0.336 -2.766 6.092 1.00 0.00 C ATOM 703 C ILE A 501 -0.284 -2.985 4.717 1.00 0.00 C ATOM 704 O ILE A 501 -1.403 -2.545 4.450 1.00 0.00 O ATOM 705 CB ILE A 501 -0.547 -3.446 7.155 1.00 0.00 C ATOM 706 CG1 ILE A 501 -0.173 -2.951 8.554 1.00 0.00 C ATOM 707 CG2 ILE A 501 -0.410 -4.958 7.069 1.00 0.00 C ATOM 708 CD1 ILE A 501 1.286 -3.154 8.896 1.00 0.00 C ATOM 0 H ILE A 501 -0.358 -0.854 6.602 1.00 0.00 H new ATOM 0 HA ILE A 501 1.329 -3.214 6.116 1.00 0.00 H new ATOM 0 HB ILE A 501 -1.587 -3.183 6.963 1.00 0.00 H new ATOM 0 HG12 ILE A 501 -0.412 -1.890 8.631 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -0.786 -3.470 9.290 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -1.040 -5.424 7.827 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -0.721 -5.296 6.080 1.00 0.00 H new ATOM 0 HG23 ILE A 501 0.629 -5.239 7.238 1.00 0.00 H new ATOM 0 HD11 ILE A 501 1.479 -2.780 9.902 1.00 0.00 H new ATOM 0 HD12 ILE A 501 1.526 -4.216 8.851 1.00 0.00 H new ATOM 0 HD13 ILE A 501 1.906 -2.612 8.182 1.00 0.00 H new ATOM 720 N LEU A 502 0.449 -3.671 3.846 1.00 0.00 N ATOM 721 CA LEU A 502 -0.028 -3.951 2.497 1.00 0.00 C ATOM 722 C LEU A 502 -0.186 -5.453 2.276 1.00 0.00 C ATOM 723 O LEU A 502 0.668 -6.243 2.680 1.00 0.00 O ATOM 724 CB LEU A 502 0.936 -3.371 1.462 1.00 0.00 C ATOM 725 CG LEU A 502 2.260 -4.116 1.285 1.00 0.00 C ATOM 726 CD1 LEU A 502 2.893 -3.769 -0.053 1.00 0.00 C ATOM 727 CD2 LEU A 502 3.211 -3.792 2.427 1.00 0.00 C ATOM 0 H LEU A 502 1.376 -4.043 4.051 1.00 0.00 H new ATOM 0 HA LEU A 502 -1.004 -3.480 2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 502 0.428 -3.341 0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 502 1.157 -2.340 1.738 1.00 0.00 H new ATOM 0 HG LEU A 502 2.057 -5.187 1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 502 3.834 -4.308 -0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 502 2.217 -4.053 -0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 502 3.082 -2.697 -0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 502 4.148 -4.331 2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 502 3.408 -2.720 2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 502 2.760 -4.093 3.373 1.00 0.00 H new ATOM 739 N PHE A 503 -1.282 -5.839 1.632 1.00 0.00 N ATOM 740 CA PHE A 503 -1.550 -7.246 1.356 1.00 0.00 C ATOM 741 C PHE A 503 -0.841 -7.695 0.082 1.00 0.00 C ATOM 742 O PHE A 503 -0.948 -7.051 -0.961 1.00 0.00 O ATOM 743 CB PHE A 503 -3.056 -7.483 1.226 1.00 0.00 C ATOM 744 CG PHE A 503 -3.432 -8.937 1.181 1.00 0.00 C ATOM 745 CD1 PHE A 503 -3.541 -9.674 2.349 1.00 0.00 C ATOM 746 CD2 PHE A 503 -3.677 -9.565 -0.029 1.00 0.00 C ATOM 747 CE1 PHE A 503 -3.886 -11.012 2.310 1.00 0.00 C ATOM 748 CE2 PHE A 503 -4.023 -10.903 -0.074 1.00 0.00 C ATOM 749 CZ PHE A 503 -4.128 -11.627 1.097 1.00 0.00 C ATOM 0 H PHE A 503 -1.999 -5.198 1.292 1.00 0.00 H new ATOM 0 HA PHE A 503 -1.167 -7.834 2.190 1.00 0.00 H new ATOM 0 HB2 PHE A 503 -3.564 -7.010 2.067 1.00 0.00 H new ATOM 0 HB3 PHE A 503 -3.416 -6.995 0.320 1.00 0.00 H new ATOM 0 HD1 PHE A 503 -3.354 -9.198 3.300 1.00 0.00 H new ATOM 0 HD2 PHE A 503 -3.597 -9.003 -0.948 1.00 0.00 H new ATOM 0 HE1 PHE A 503 -3.966 -11.576 3.227 1.00 0.00 H new ATOM 0 HE2 PHE A 503 -4.211 -11.381 -1.024 1.00 0.00 H new ATOM 0 HZ PHE A 503 -4.399 -12.672 1.065 1.00 0.00 H new ATOM 759 N SER A 504 -0.117 -8.806 0.176 1.00 0.00 N ATOM 760 CA SER A 504 0.614 -9.340 -0.968 1.00 0.00 C ATOM 761 C SER A 504 -0.287 -10.226 -1.822 1.00 0.00 C ATOM 762 O SER A 504 -1.247 -10.816 -1.326 1.00 0.00 O ATOM 763 CB SER A 504 1.831 -10.137 -0.494 1.00 0.00 C ATOM 764 OG SER A 504 2.855 -10.134 -1.474 1.00 0.00 O ATOM 0 H SER A 504 -0.021 -9.353 1.031 1.00 0.00 H new ATOM 0 HA SER A 504 0.952 -8.501 -1.577 1.00 0.00 H new ATOM 0 HB2 SER A 504 2.210 -9.710 0.434 1.00 0.00 H new ATOM 0 HB3 SER A 504 1.535 -11.163 -0.275 1.00 0.00 H new ATOM 0 HG SER A 504 3.622 -10.648 -1.147 1.00 0.00 H new ATOM 770 N ASP A 505 0.029 -10.313 -3.110 1.00 0.00 N ATOM 771 CA ASP A 505 -0.750 -11.127 -4.035 1.00 0.00 C ATOM 772 C ASP A 505 -0.099 -12.492 -4.239 1.00 0.00 C ATOM 773 O ASP A 505 -0.757 -13.450 -4.648 1.00 0.00 O ATOM 774 CB ASP A 505 -0.896 -10.412 -5.379 1.00 0.00 C ATOM 775 CG ASP A 505 -1.863 -9.246 -5.312 1.00 0.00 C ATOM 776 OD1 ASP A 505 -1.608 -8.307 -4.529 1.00 0.00 O ATOM 777 OD2 ASP A 505 -2.874 -9.272 -6.044 1.00 0.00 O ATOM 0 H ASP A 505 0.819 -9.830 -3.537 1.00 0.00 H new ATOM 0 HA ASP A 505 -1.739 -11.277 -3.603 1.00 0.00 H new ATOM 0 HB2 ASP A 505 0.080 -10.052 -5.704 1.00 0.00 H new ATOM 0 HB3 ASP A 505 -1.240 -11.123 -6.130 1.00 0.00 H new ATOM 782 N LEU A 506 1.195 -12.572 -3.954 1.00 0.00 N ATOM 783 CA LEU A 506 1.937 -13.820 -4.107 1.00 0.00 C ATOM 784 C LEU A 506 1.906 -14.633 -2.817 1.00 0.00 C ATOM 785 O LEU A 506 1.540 -15.809 -2.820 1.00 0.00 O ATOM 786 CB LEU A 506 3.385 -13.530 -4.506 1.00 0.00 C ATOM 787 CG LEU A 506 3.589 -12.921 -5.893 1.00 0.00 C ATOM 788 CD1 LEU A 506 4.995 -12.356 -6.026 1.00 0.00 C ATOM 789 CD2 LEU A 506 3.325 -13.958 -6.975 1.00 0.00 C ATOM 0 H LEU A 506 1.753 -11.788 -3.616 1.00 0.00 H new ATOM 0 HA LEU A 506 1.460 -14.404 -4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 506 3.816 -12.854 -3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 506 3.949 -14.461 -4.453 1.00 0.00 H new ATOM 0 HG LEU A 506 2.878 -12.105 -6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 506 5.122 -11.927 -7.020 1.00 0.00 H new ATOM 0 HD12 LEU A 506 5.149 -11.582 -5.274 1.00 0.00 H new ATOM 0 HD13 LEU A 506 5.723 -13.154 -5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 506 3.475 -13.507 -7.956 1.00 0.00 H new ATOM 0 HD22 LEU A 506 4.012 -14.795 -6.852 1.00 0.00 H new ATOM 0 HD23 LEU A 506 2.299 -14.316 -6.893 1.00 0.00 H new ATOM 801 N THR A 507 2.290 -13.999 -1.713 1.00 0.00 N ATOM 802 CA THR A 507 2.305 -14.663 -0.416 1.00 0.00 C ATOM 803 C THR A 507 0.920 -14.660 0.219 1.00 0.00 C ATOM 804 O THR A 507 0.692 -15.315 1.236 1.00 0.00 O ATOM 805 CB THR A 507 3.301 -13.990 0.547 1.00 0.00 C ATOM 806 OG1 THR A 507 3.090 -12.574 0.560 1.00 0.00 O ATOM 807 CG2 THR A 507 4.736 -14.291 0.140 1.00 0.00 C ATOM 0 H THR A 507 2.595 -13.026 -1.692 1.00 0.00 H new ATOM 0 HA THR A 507 2.619 -15.692 -0.591 1.00 0.00 H new ATOM 0 HB THR A 507 3.132 -14.391 1.547 1.00 0.00 H new ATOM 0 HG1 THR A 507 3.726 -12.154 1.176 1.00 0.00 H new ATOM 0 HG21 THR A 507 5.421 -13.805 0.835 1.00 0.00 H new ATOM 0 HG22 THR A 507 4.902 -15.368 0.161 1.00 0.00 H new ATOM 0 HG23 THR A 507 4.915 -13.916 -0.868 1.00 0.00 H new ATOM 815 N MET A 508 -0.003 -13.920 -0.387 1.00 0.00 N ATOM 816 CA MET A 508 -1.367 -13.834 0.120 1.00 0.00 C ATOM 817 C MET A 508 -1.374 -13.603 1.628 1.00 0.00 C ATOM 818 O MET A 508 -2.177 -14.191 2.353 1.00 0.00 O ATOM 819 CB MET A 508 -2.140 -15.112 -0.215 1.00 0.00 C ATOM 820 CG MET A 508 -2.117 -15.465 -1.693 1.00 0.00 C ATOM 821 SD MET A 508 -3.187 -16.862 -2.090 1.00 0.00 S ATOM 822 CE MET A 508 -2.039 -17.933 -2.952 1.00 0.00 C ATOM 0 H MET A 508 0.169 -13.372 -1.230 1.00 0.00 H new ATOM 0 HA MET A 508 -1.854 -12.986 -0.362 1.00 0.00 H new ATOM 0 HB2 MET A 508 -1.720 -15.941 0.355 1.00 0.00 H new ATOM 0 HB3 MET A 508 -3.175 -14.996 0.107 1.00 0.00 H new ATOM 0 HG2 MET A 508 -2.428 -14.597 -2.275 1.00 0.00 H new ATOM 0 HG3 MET A 508 -1.095 -15.699 -1.991 1.00 0.00 H new ATOM 0 HE1 MET A 508 -2.553 -18.843 -3.262 1.00 0.00 H new ATOM 0 HE2 MET A 508 -1.651 -17.418 -3.831 1.00 0.00 H new ATOM 0 HE3 MET A 508 -1.214 -18.191 -2.288 1.00 0.00 H new ATOM 832 N HIS A 509 -0.473 -12.744 2.095 1.00 0.00 N ATOM 833 CA HIS A 509 -0.376 -12.436 3.517 1.00 0.00 C ATOM 834 C HIS A 509 -0.206 -10.935 3.737 1.00 0.00 C ATOM 835 O HIS A 509 0.052 -10.186 2.795 1.00 0.00 O ATOM 836 CB HIS A 509 0.796 -13.191 4.145 1.00 0.00 C ATOM 837 CG HIS A 509 0.625 -14.679 4.132 1.00 0.00 C ATOM 838 ND1 HIS A 509 -0.562 -15.303 4.451 1.00 0.00 N ATOM 839 CD2 HIS A 509 1.500 -15.668 3.834 1.00 0.00 C ATOM 840 CE1 HIS A 509 -0.410 -16.612 4.351 1.00 0.00 C ATOM 841 NE2 HIS A 509 0.833 -16.859 3.978 1.00 0.00 N ATOM 0 H HIS A 509 0.200 -12.249 1.509 1.00 0.00 H new ATOM 0 HA HIS A 509 -1.302 -12.754 3.997 1.00 0.00 H new ATOM 0 HB2 HIS A 509 1.711 -12.934 3.611 1.00 0.00 H new ATOM 0 HB3 HIS A 509 0.923 -12.857 5.175 1.00 0.00 H new ATOM 0 HD2 HIS A 509 2.531 -15.543 3.538 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -1.172 -17.353 4.542 1.00 0.00 H new ATOM 0 HE2 HIS A 509 1.232 -17.785 3.822 1.00 0.00 H new ATOM 849 N GLU A 510 -0.354 -10.505 4.986 1.00 0.00 N ATOM 850 CA GLU A 510 -0.219 -9.094 5.328 1.00 0.00 C ATOM 851 C GLU A 510 1.238 -8.741 5.613 1.00 0.00 C ATOM 852 O GLU A 510 1.824 -9.214 6.588 1.00 0.00 O ATOM 853 CB GLU A 510 -1.085 -8.755 6.543 1.00 0.00 C ATOM 854 CG GLU A 510 -2.552 -8.549 6.207 1.00 0.00 C ATOM 855 CD GLU A 510 -3.470 -8.900 7.361 1.00 0.00 C ATOM 856 OE1 GLU A 510 -3.457 -10.072 7.792 1.00 0.00 O ATOM 857 OE2 GLU A 510 -4.202 -8.005 7.832 1.00 0.00 O ATOM 0 H GLU A 510 -0.567 -11.113 5.777 1.00 0.00 H new ATOM 0 HA GLU A 510 -0.558 -8.506 4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 510 -0.998 -9.557 7.276 1.00 0.00 H new ATOM 0 HB3 GLU A 510 -0.698 -7.851 7.013 1.00 0.00 H new ATOM 0 HG2 GLU A 510 -2.713 -7.509 5.923 1.00 0.00 H new ATOM 0 HG3 GLU A 510 -2.812 -9.160 5.342 1.00 0.00 H new ATOM 864 N LEU A 511 1.817 -7.907 4.756 1.00 0.00 N ATOM 865 CA LEU A 511 3.206 -7.489 4.915 1.00 0.00 C ATOM 866 C LEU A 511 3.291 -6.138 5.616 1.00 0.00 C ATOM 867 O LEU A 511 2.596 -5.190 5.250 1.00 0.00 O ATOM 868 CB LEU A 511 3.895 -7.414 3.551 1.00 0.00 C ATOM 869 CG LEU A 511 3.910 -8.707 2.735 1.00 0.00 C ATOM 870 CD1 LEU A 511 4.548 -8.471 1.374 1.00 0.00 C ATOM 871 CD2 LEU A 511 4.647 -9.805 3.488 1.00 0.00 C ATOM 0 H LEU A 511 1.347 -7.507 3.944 1.00 0.00 H new ATOM 0 HA LEU A 511 3.715 -8.230 5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 511 3.404 -6.641 2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 511 4.925 -7.092 3.704 1.00 0.00 H new ATOM 0 HG LEU A 511 2.880 -9.029 2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 511 4.550 -9.402 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 511 3.979 -7.717 0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 511 5.573 -8.125 1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 511 4.648 -10.718 2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 511 5.675 -9.492 3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 511 4.148 -9.993 4.438 1.00 0.00 H new ATOM 883 N LYS A 512 4.151 -6.054 6.626 1.00 0.00 N ATOM 884 CA LYS A 512 4.332 -4.818 7.378 1.00 0.00 C ATOM 885 C LYS A 512 5.646 -4.140 7.002 1.00 0.00 C ATOM 886 O LYS A 512 6.725 -4.614 7.358 1.00 0.00 O ATOM 887 CB LYS A 512 4.304 -5.102 8.881 1.00 0.00 C ATOM 888 CG LYS A 512 4.697 -3.908 9.733 1.00 0.00 C ATOM 889 CD LYS A 512 5.268 -4.343 11.073 1.00 0.00 C ATOM 890 CE LYS A 512 6.255 -3.321 11.616 1.00 0.00 C ATOM 891 NZ LYS A 512 7.640 -3.577 11.133 1.00 0.00 N ATOM 0 H LYS A 512 4.734 -6.829 6.943 1.00 0.00 H new ATOM 0 HA LYS A 512 3.512 -4.146 7.127 1.00 0.00 H new ATOM 0 HB2 LYS A 512 3.302 -5.424 9.163 1.00 0.00 H new ATOM 0 HB3 LYS A 512 4.978 -5.930 9.098 1.00 0.00 H new ATOM 0 HG2 LYS A 512 5.434 -3.307 9.200 1.00 0.00 H new ATOM 0 HG3 LYS A 512 3.826 -3.274 9.896 1.00 0.00 H new ATOM 0 HD2 LYS A 512 4.457 -4.482 11.788 1.00 0.00 H new ATOM 0 HD3 LYS A 512 5.765 -5.307 10.963 1.00 0.00 H new ATOM 0 HE2 LYS A 512 5.944 -2.321 11.315 1.00 0.00 H new ATOM 0 HE3 LYS A 512 6.240 -3.345 12.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 512 8.283 -2.859 11.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 512 7.946 -4.522 11.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 512 7.660 -3.529 10.094 1.00 0.00 H new ATOM 905 N VAL A 513 5.548 -3.027 6.282 1.00 0.00 N ATOM 906 CA VAL A 513 6.728 -2.283 5.860 1.00 0.00 C ATOM 907 C VAL A 513 6.556 -0.789 6.114 1.00 0.00 C ATOM 908 O VAL A 513 5.435 -0.281 6.153 1.00 0.00 O ATOM 909 CB VAL A 513 7.030 -2.507 4.367 1.00 0.00 C ATOM 910 CG1 VAL A 513 8.331 -1.823 3.976 1.00 0.00 C ATOM 911 CG2 VAL A 513 7.084 -3.995 4.052 1.00 0.00 C ATOM 0 H VAL A 513 4.663 -2.621 5.979 1.00 0.00 H new ATOM 0 HA VAL A 513 7.564 -2.656 6.451 1.00 0.00 H new ATOM 0 HB VAL A 513 6.225 -2.064 3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 513 8.527 -1.993 2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 513 8.250 -0.752 4.163 1.00 0.00 H new ATOM 0 HG13 VAL A 513 9.150 -2.233 4.567 1.00 0.00 H new ATOM 0 HG21 VAL A 513 7.298 -4.135 2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 513 7.868 -4.464 4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 513 6.124 -4.453 4.292 1.00 0.00 H new ATOM 921 N LEU A 514 7.673 -0.091 6.285 1.00 0.00 N ATOM 922 CA LEU A 514 7.646 1.346 6.535 1.00 0.00 C ATOM 923 C LEU A 514 7.250 2.110 5.275 1.00 0.00 C ATOM 924 O LEU A 514 7.431 1.640 4.152 1.00 0.00 O ATOM 925 CB LEU A 514 9.014 1.824 7.026 1.00 0.00 C ATOM 926 CG LEU A 514 9.400 1.407 8.445 1.00 0.00 C ATOM 927 CD1 LEU A 514 10.829 1.825 8.754 1.00 0.00 C ATOM 928 CD2 LEU A 514 8.436 2.006 9.458 1.00 0.00 C ATOM 0 H LEU A 514 8.608 -0.496 6.255 1.00 0.00 H new ATOM 0 HA LEU A 514 6.901 1.542 7.306 1.00 0.00 H new ATOM 0 HB2 LEU A 514 9.775 1.452 6.340 1.00 0.00 H new ATOM 0 HB3 LEU A 514 9.038 2.912 6.969 1.00 0.00 H new ATOM 0 HG LEU A 514 9.338 0.321 8.513 1.00 0.00 H new ATOM 0 HD11 LEU A 514 11.086 1.520 9.768 1.00 0.00 H new ATOM 0 HD12 LEU A 514 11.509 1.347 8.048 1.00 0.00 H new ATOM 0 HD13 LEU A 514 10.918 2.908 8.667 1.00 0.00 H new ATOM 0 HD21 LEU A 514 8.726 1.698 10.463 1.00 0.00 H new ATOM 0 HD22 LEU A 514 8.465 3.093 9.389 1.00 0.00 H new ATOM 0 HD23 LEU A 514 7.425 1.656 9.249 1.00 0.00 H new ATOM 940 N PRO A 515 6.698 3.318 5.465 1.00 0.00 N ATOM 941 CA PRO A 515 6.268 4.174 4.356 1.00 0.00 C ATOM 942 C PRO A 515 7.445 4.728 3.560 1.00 0.00 C ATOM 943 O PRO A 515 7.260 5.387 2.537 1.00 0.00 O ATOM 944 CB PRO A 515 5.514 5.308 5.055 1.00 0.00 C ATOM 945 CG PRO A 515 6.093 5.358 6.427 1.00 0.00 C ATOM 946 CD PRO A 515 6.453 3.941 6.776 1.00 0.00 C ATOM 0 HA PRO A 515 5.666 3.628 3.630 1.00 0.00 H new ATOM 0 HB2 PRO A 515 5.650 6.255 4.533 1.00 0.00 H new ATOM 0 HB3 PRO A 515 4.442 5.112 5.084 1.00 0.00 H new ATOM 0 HG2 PRO A 515 6.972 6.002 6.457 1.00 0.00 H new ATOM 0 HG3 PRO A 515 5.375 5.765 7.139 1.00 0.00 H new ATOM 0 HD2 PRO A 515 7.336 3.896 7.413 1.00 0.00 H new ATOM 0 HD3 PRO A 515 5.646 3.442 7.313 1.00 0.00 H new ATOM 954 N ARG A 516 8.655 4.457 4.037 1.00 0.00 N ATOM 955 CA ARG A 516 9.863 4.929 3.370 1.00 0.00 C ATOM 956 C ARG A 516 10.365 3.900 2.362 1.00 0.00 C ATOM 957 O ARG A 516 11.022 4.247 1.380 1.00 0.00 O ATOM 958 CB ARG A 516 10.956 5.227 4.398 1.00 0.00 C ATOM 959 CG ARG A 516 11.047 4.192 5.508 1.00 0.00 C ATOM 960 CD ARG A 516 12.334 4.339 6.303 1.00 0.00 C ATOM 961 NE ARG A 516 12.225 5.368 7.335 1.00 0.00 N ATOM 962 CZ ARG A 516 12.427 6.661 7.107 1.00 0.00 C ATOM 963 NH1 ARG A 516 12.746 7.082 5.891 1.00 0.00 N ATOM 964 NH2 ARG A 516 12.309 7.536 8.098 1.00 0.00 N ATOM 0 H ARG A 516 8.825 3.913 4.883 1.00 0.00 H new ATOM 0 HA ARG A 516 9.617 5.846 2.835 1.00 0.00 H new ATOM 0 HB2 ARG A 516 11.917 5.285 3.887 1.00 0.00 H new ATOM 0 HB3 ARG A 516 10.770 6.206 4.840 1.00 0.00 H new ATOM 0 HG2 ARG A 516 10.192 4.297 6.176 1.00 0.00 H new ATOM 0 HG3 ARG A 516 10.996 3.191 5.079 1.00 0.00 H new ATOM 0 HD2 ARG A 516 12.584 3.385 6.767 1.00 0.00 H new ATOM 0 HD3 ARG A 516 13.151 4.589 5.627 1.00 0.00 H new ATOM 0 HE ARG A 516 11.981 5.078 8.282 1.00 0.00 H new ATOM 0 HH11 ARG A 516 12.837 6.412 5.127 1.00 0.00 H new ATOM 0 HH12 ARG A 516 12.900 8.076 5.719 1.00 0.00 H new ATOM 0 HH21 ARG A 516 12.063 7.216 9.035 1.00 0.00 H new ATOM 0 HH22 ARG A 516 12.464 8.529 7.923 1.00 0.00 H new ATOM 978 N ASP A 517 10.052 2.633 2.612 1.00 0.00 N ATOM 979 CA ASP A 517 10.471 1.553 1.726 1.00 0.00 C ATOM 980 C ASP A 517 9.341 1.157 0.780 1.00 0.00 C ATOM 981 O ASP A 517 9.357 0.072 0.196 1.00 0.00 O ATOM 982 CB ASP A 517 10.918 0.339 2.542 1.00 0.00 C ATOM 983 CG ASP A 517 11.727 0.730 3.764 1.00 0.00 C ATOM 984 OD1 ASP A 517 12.696 1.503 3.611 1.00 0.00 O ATOM 985 OD2 ASP A 517 11.391 0.262 4.872 1.00 0.00 O ATOM 0 H ASP A 517 9.510 2.329 3.421 1.00 0.00 H new ATOM 0 HA ASP A 517 11.311 1.910 1.131 1.00 0.00 H new ATOM 0 HB2 ASP A 517 10.041 -0.227 2.856 1.00 0.00 H new ATOM 0 HB3 ASP A 517 11.514 -0.320 1.911 1.00 0.00 H new ATOM 990 N LEU A 518 8.361 2.041 0.635 1.00 0.00 N ATOM 991 CA LEU A 518 7.221 1.784 -0.239 1.00 0.00 C ATOM 992 C LEU A 518 6.936 2.988 -1.130 1.00 0.00 C ATOM 993 O LEU A 518 7.277 4.120 -0.788 1.00 0.00 O ATOM 994 CB LEU A 518 5.982 1.444 0.591 1.00 0.00 C ATOM 995 CG LEU A 518 6.150 0.325 1.620 1.00 0.00 C ATOM 996 CD1 LEU A 518 4.894 0.185 2.465 1.00 0.00 C ATOM 997 CD2 LEU A 518 6.480 -0.989 0.929 1.00 0.00 C ATOM 0 H LEU A 518 8.332 2.943 1.111 1.00 0.00 H new ATOM 0 HA LEU A 518 7.468 0.934 -0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 518 5.660 2.345 1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 518 5.178 1.166 -0.090 1.00 0.00 H new ATOM 0 HG LEU A 518 6.979 0.584 2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 518 5.032 -0.616 3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 518 4.702 1.121 2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 518 4.047 -0.051 1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 518 6.596 -1.774 1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 518 5.672 -1.254 0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 518 7.408 -0.882 0.368 1.00 0.00 H new ATOM 1009 N GLN A 519 6.306 2.736 -2.273 1.00 0.00 N ATOM 1010 CA GLN A 519 5.973 3.801 -3.213 1.00 0.00 C ATOM 1011 C GLN A 519 4.593 3.577 -3.822 1.00 0.00 C ATOM 1012 O GLN A 519 4.230 2.452 -4.168 1.00 0.00 O ATOM 1013 CB GLN A 519 7.026 3.880 -4.320 1.00 0.00 C ATOM 1014 CG GLN A 519 8.455 3.879 -3.802 1.00 0.00 C ATOM 1015 CD GLN A 519 8.976 5.275 -3.524 1.00 0.00 C ATOM 1016 OE1 GLN A 519 8.616 5.897 -2.524 1.00 0.00 O ATOM 1017 NE2 GLN A 519 9.830 5.775 -4.409 1.00 0.00 N ATOM 0 H GLN A 519 6.016 1.805 -2.571 1.00 0.00 H new ATOM 0 HA GLN A 519 5.960 4.744 -2.666 1.00 0.00 H new ATOM 0 HB2 GLN A 519 6.893 3.036 -4.997 1.00 0.00 H new ATOM 0 HB3 GLN A 519 6.861 4.786 -4.903 1.00 0.00 H new ATOM 0 HG2 GLN A 519 8.506 3.288 -2.888 1.00 0.00 H new ATOM 0 HG3 GLN A 519 9.102 3.393 -4.532 1.00 0.00 H new ATOM 0 HE21 GLN A 519 10.101 5.224 -5.224 1.00 0.00 H new ATOM 0 HE22 GLN A 519 10.215 6.710 -4.274 1.00 0.00 H new ATOM 1026 N LEU A 520 3.827 4.655 -3.950 1.00 0.00 N ATOM 1027 CA LEU A 520 2.485 4.577 -4.518 1.00 0.00 C ATOM 1028 C LEU A 520 2.526 4.021 -5.937 1.00 0.00 C ATOM 1029 O LEU A 520 3.567 4.049 -6.596 1.00 0.00 O ATOM 1030 CB LEU A 520 1.829 5.959 -4.517 1.00 0.00 C ATOM 1031 CG LEU A 520 1.031 6.322 -3.265 1.00 0.00 C ATOM 1032 CD1 LEU A 520 0.241 7.603 -3.488 1.00 0.00 C ATOM 1033 CD2 LEU A 520 0.102 5.182 -2.875 1.00 0.00 C ATOM 0 H LEU A 520 4.112 5.593 -3.668 1.00 0.00 H new ATOM 0 HA LEU A 520 1.894 3.901 -3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 520 2.608 6.709 -4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 520 1.165 6.024 -5.379 1.00 0.00 H new ATOM 0 HG LEU A 520 1.732 6.489 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 520 -0.321 7.846 -2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 520 0.927 8.418 -3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 520 -0.450 7.464 -4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 520 -0.458 5.458 -1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 520 -0.592 4.983 -3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 520 0.690 4.287 -2.672 1.00 0.00 H new