USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=4 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= 0.00182 USER MOD Set 1.2: A 507 THR OG1 : rot 180:sc= -0.742 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 :FLIP no HD1:sc= -1.14 F(o=-3.4,f=-1.1) 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= -0.0376 K(o=-0.038,f=-0.9) USER MOD Single : A 508 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 509 HIS : no HD1:sc= -0.566 K(o=-0.57,f=-1.2) USER MOD Single : A 512 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 519 GLN : amide:sc= -1.28 K(o=-1.3,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 243 N PHE A 472 0.225 6.718 1.286 1.00 0.00 N ATOM 244 CA PHE A 472 -0.226 5.337 1.169 1.00 0.00 C ATOM 245 C PHE A 472 -1.498 5.109 1.980 1.00 0.00 C ATOM 246 O PHE A 472 -1.448 4.913 3.194 1.00 0.00 O ATOM 247 CB PHE A 472 0.870 4.378 1.639 1.00 0.00 C ATOM 248 CG PHE A 472 2.223 4.684 1.061 1.00 0.00 C ATOM 249 CD1 PHE A 472 2.351 5.097 -0.255 1.00 0.00 C ATOM 250 CD2 PHE A 472 3.365 4.558 1.835 1.00 0.00 C ATOM 251 CE1 PHE A 472 3.594 5.380 -0.790 1.00 0.00 C ATOM 252 CE2 PHE A 472 4.611 4.840 1.305 1.00 0.00 C ATOM 253 CZ PHE A 472 4.725 5.250 -0.008 1.00 0.00 C ATOM 0 HA PHE A 472 -0.445 5.141 0.119 1.00 0.00 H new ATOM 0 HB2 PHE A 472 0.932 4.414 2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 472 0.591 3.359 1.370 1.00 0.00 H new ATOM 0 HD1 PHE A 472 1.469 5.199 -0.870 1.00 0.00 H new ATOM 0 HD2 PHE A 472 3.282 4.236 2.863 1.00 0.00 H new ATOM 0 HE1 PHE A 472 3.680 5.702 -1.817 1.00 0.00 H new ATOM 0 HE2 PHE A 472 5.494 4.739 1.918 1.00 0.00 H new ATOM 0 HZ PHE A 472 5.698 5.469 -0.423 1.00 0.00 H new ATOM 263 N LYS A 473 -2.639 5.138 1.300 1.00 0.00 N ATOM 264 CA LYS A 473 -3.926 4.934 1.954 1.00 0.00 C ATOM 265 C LYS A 473 -4.556 3.616 1.517 1.00 0.00 C ATOM 266 O LYS A 473 -4.286 3.120 0.424 1.00 0.00 O ATOM 267 CB LYS A 473 -4.872 6.094 1.636 1.00 0.00 C ATOM 268 CG LYS A 473 -5.328 6.127 0.188 1.00 0.00 C ATOM 269 CD LYS A 473 -6.271 7.290 -0.073 1.00 0.00 C ATOM 270 CE LYS A 473 -6.858 7.228 -1.475 1.00 0.00 C ATOM 271 NZ LYS A 473 -8.145 7.971 -1.572 1.00 0.00 N ATOM 0 H LYS A 473 -2.699 5.301 0.295 1.00 0.00 H new ATOM 0 HA LYS A 473 -3.756 4.896 3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 473 -5.747 6.026 2.282 1.00 0.00 H new ATOM 0 HB3 LYS A 473 -4.373 7.034 1.873 1.00 0.00 H new ATOM 0 HG2 LYS A 473 -4.460 6.207 -0.466 1.00 0.00 H new ATOM 0 HG3 LYS A 473 -5.827 5.190 -0.059 1.00 0.00 H new ATOM 0 HD2 LYS A 473 -7.077 7.278 0.661 1.00 0.00 H new ATOM 0 HD3 LYS A 473 -5.735 8.230 0.057 1.00 0.00 H new ATOM 0 HE2 LYS A 473 -6.144 7.644 -2.186 1.00 0.00 H new ATOM 0 HE3 LYS A 473 -7.018 6.187 -1.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 -8.512 7.904 -2.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 -8.835 7.558 -0.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 -7.988 8.970 -1.329 1.00 0.00 H new ATOM 285 N MET A 474 -5.399 3.054 2.378 1.00 0.00 N ATOM 286 CA MET A 474 -6.069 1.794 2.078 1.00 0.00 C ATOM 287 C MET A 474 -6.774 1.861 0.727 1.00 0.00 C ATOM 288 O MET A 474 -7.400 2.866 0.392 1.00 0.00 O ATOM 289 CB MET A 474 -7.079 1.455 3.177 1.00 0.00 C ATOM 290 CG MET A 474 -7.731 0.093 3.003 1.00 0.00 C ATOM 291 SD MET A 474 -8.989 -0.238 4.252 1.00 0.00 S ATOM 292 CE MET A 474 -10.411 -0.582 3.218 1.00 0.00 C ATOM 0 H MET A 474 -5.634 3.451 3.288 1.00 0.00 H new ATOM 0 HA MET A 474 -5.313 1.010 2.035 1.00 0.00 H new ATOM 0 HB2 MET A 474 -6.576 1.487 4.144 1.00 0.00 H new ATOM 0 HB3 MET A 474 -7.855 2.221 3.195 1.00 0.00 H new ATOM 0 HG2 MET A 474 -8.183 0.034 2.013 1.00 0.00 H new ATOM 0 HG3 MET A 474 -6.965 -0.681 3.050 1.00 0.00 H new ATOM 0 HE1 MET A 474 -11.273 -0.806 3.847 1.00 0.00 H new ATOM 0 HE2 MET A 474 -10.630 0.288 2.599 1.00 0.00 H new ATOM 0 HE3 MET A 474 -10.197 -1.438 2.578 1.00 0.00 H new ATOM 302 N GLY A 475 -6.668 0.784 -0.045 1.00 0.00 N ATOM 303 CA GLY A 475 -7.300 0.743 -1.351 1.00 0.00 C ATOM 304 C GLY A 475 -6.325 1.027 -2.476 1.00 0.00 C ATOM 305 O GLY A 475 -6.522 0.578 -3.606 1.00 0.00 O ATOM 0 H GLY A 475 -6.156 -0.060 0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 475 -7.750 -0.238 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 475 -8.109 1.473 -1.383 1.00 0.00 H new ATOM 309 N ASP A 476 -5.271 1.775 -2.169 1.00 0.00 N ATOM 310 CA ASP A 476 -4.261 2.119 -3.163 1.00 0.00 C ATOM 311 C ASP A 476 -3.178 1.047 -3.232 1.00 0.00 C ATOM 312 O ASP A 476 -2.859 0.406 -2.230 1.00 0.00 O ATOM 313 CB ASP A 476 -3.633 3.475 -2.836 1.00 0.00 C ATOM 314 CG ASP A 476 -4.507 4.636 -3.268 1.00 0.00 C ATOM 315 OD1 ASP A 476 -5.736 4.445 -3.379 1.00 0.00 O ATOM 316 OD2 ASP A 476 -3.961 5.737 -3.495 1.00 0.00 O ATOM 0 H ASP A 476 -5.094 2.155 -1.239 1.00 0.00 H new ATOM 0 HA ASP A 476 -4.750 2.179 -4.135 1.00 0.00 H new ATOM 0 HB2 ASP A 476 -3.452 3.539 -1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 476 -2.663 3.551 -3.328 1.00 0.00 H new ATOM 321 N HIS A 477 -2.617 0.855 -4.422 1.00 0.00 N ATOM 322 CA HIS A 477 -1.570 -0.141 -4.622 1.00 0.00 C ATOM 323 C HIS A 477 -0.188 0.482 -4.449 1.00 0.00 C ATOM 324 O HIS A 477 0.035 1.636 -4.816 1.00 0.00 O ATOM 325 CB HIS A 477 -1.690 -0.766 -6.012 1.00 0.00 C ATOM 326 CG HIS A 477 -0.798 -1.952 -6.214 1.00 0.00 C ATOM 327 ND1 HIS A 477 -0.745 -3.140 -5.568 1.00 0.00 N flip ATOM 328 CD2 HIS A 477 0.185 -1.998 -7.180 1.00 0.00 C flip ATOM 329 CE1 HIS A 477 0.259 -3.875 -6.149 1.00 0.00 C flip ATOM 330 NE2 HIS A 477 0.804 -3.164 -7.119 1.00 0.00 N flip ATOM 0 H HIS A 477 -2.870 1.376 -5.262 1.00 0.00 H new ATOM 0 HA HIS A 477 -1.695 -0.920 -3.870 1.00 0.00 H new ATOM 0 HB2 HIS A 477 -2.724 -1.067 -6.178 1.00 0.00 H new ATOM 0 HB3 HIS A 477 -1.453 -0.012 -6.762 1.00 0.00 H new ATOM 0 HD2 HIS A 477 0.413 -1.205 -7.877 1.00 0.00 H new ATOM 0 HE1 HIS A 477 0.555 -4.873 -5.860 1.00 0.00 H new ATOM 0 HE2 HIS A 477 1.572 -3.464 -7.719 1.00 0.00 H new ATOM 338 N VAL A 478 0.738 -0.289 -3.888 1.00 0.00 N ATOM 339 CA VAL A 478 2.098 0.187 -3.667 1.00 0.00 C ATOM 340 C VAL A 478 3.117 -0.910 -3.955 1.00 0.00 C ATOM 341 O VAL A 478 2.765 -2.083 -4.082 1.00 0.00 O ATOM 342 CB VAL A 478 2.291 0.685 -2.222 1.00 0.00 C ATOM 343 CG1 VAL A 478 1.386 1.875 -1.942 1.00 0.00 C ATOM 344 CG2 VAL A 478 2.028 -0.440 -1.232 1.00 0.00 C ATOM 0 H VAL A 478 0.571 -1.246 -3.578 1.00 0.00 H new ATOM 0 HA VAL A 478 2.258 1.018 -4.354 1.00 0.00 H new ATOM 0 HB VAL A 478 3.325 1.009 -2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 478 1.536 2.213 -0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 478 1.627 2.685 -2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 478 0.345 1.581 -2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 478 2.169 -0.071 -0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 478 1.005 -0.797 -1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 478 2.722 -1.259 -1.420 1.00 0.00 H new ATOM 354 N LYS A 479 4.384 -0.521 -4.056 1.00 0.00 N ATOM 355 CA LYS A 479 5.457 -1.470 -4.327 1.00 0.00 C ATOM 356 C LYS A 479 6.608 -1.285 -3.344 1.00 0.00 C ATOM 357 O LYS A 479 7.071 -0.167 -3.118 1.00 0.00 O ATOM 358 CB LYS A 479 5.964 -1.301 -5.761 1.00 0.00 C ATOM 359 CG LYS A 479 7.424 -1.684 -5.939 1.00 0.00 C ATOM 360 CD LYS A 479 7.642 -3.171 -5.712 1.00 0.00 C ATOM 361 CE LYS A 479 8.819 -3.691 -6.523 1.00 0.00 C ATOM 362 NZ LYS A 479 8.444 -3.954 -7.940 1.00 0.00 N ATOM 0 H LYS A 479 4.693 0.446 -3.954 1.00 0.00 H new ATOM 0 HA LYS A 479 5.058 -2.477 -4.205 1.00 0.00 H new ATOM 0 HB2 LYS A 479 5.353 -1.910 -6.428 1.00 0.00 H new ATOM 0 HB3 LYS A 479 5.830 -0.263 -6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 479 7.751 -1.417 -6.944 1.00 0.00 H new ATOM 0 HG3 LYS A 479 8.038 -1.115 -5.241 1.00 0.00 H new ATOM 0 HD2 LYS A 479 7.818 -3.357 -4.652 1.00 0.00 H new ATOM 0 HD3 LYS A 479 6.740 -3.718 -5.986 1.00 0.00 H new ATOM 0 HE2 LYS A 479 9.631 -2.965 -6.491 1.00 0.00 H new ATOM 0 HE3 LYS A 479 9.194 -4.609 -6.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 479 9.273 -4.307 -8.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 479 7.687 -4.666 -7.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 479 8.110 -3.073 -8.380 1.00 0.00 H new ATOM 376 N VAL A 480 7.068 -2.389 -2.763 1.00 0.00 N ATOM 377 CA VAL A 480 8.167 -2.348 -1.807 1.00 0.00 C ATOM 378 C VAL A 480 9.513 -2.278 -2.519 1.00 0.00 C ATOM 379 O VAL A 480 9.957 -3.253 -3.126 1.00 0.00 O ATOM 380 CB VAL A 480 8.152 -3.580 -0.881 1.00 0.00 C ATOM 381 CG1 VAL A 480 9.198 -3.438 0.213 1.00 0.00 C ATOM 382 CG2 VAL A 480 6.767 -3.779 -0.284 1.00 0.00 C ATOM 0 H VAL A 480 6.696 -3.322 -2.938 1.00 0.00 H new ATOM 0 HA VAL A 480 8.030 -1.449 -1.206 1.00 0.00 H new ATOM 0 HB VAL A 480 8.398 -4.462 -1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.173 -4.317 0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 480 10.186 -3.347 -0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 480 8.986 -2.548 0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 480 6.774 -4.653 0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 480 6.490 -2.898 0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 480 6.044 -3.929 -1.085 1.00 0.00 H new ATOM 392 N ILE A 481 10.158 -1.119 -2.440 1.00 0.00 N ATOM 393 CA ILE A 481 11.455 -0.923 -3.076 1.00 0.00 C ATOM 394 C ILE A 481 12.593 -1.172 -2.092 1.00 0.00 C ATOM 395 O ILE A 481 13.699 -1.543 -2.487 1.00 0.00 O ATOM 396 CB ILE A 481 11.591 0.500 -3.650 1.00 0.00 C ATOM 397 CG1 ILE A 481 11.611 1.530 -2.518 1.00 0.00 C ATOM 398 CG2 ILE A 481 10.454 0.791 -4.618 1.00 0.00 C ATOM 399 CD1 ILE A 481 11.995 2.921 -2.974 1.00 0.00 C ATOM 0 H ILE A 481 9.804 -0.302 -1.942 1.00 0.00 H new ATOM 0 HA ILE A 481 11.518 -1.643 -3.892 1.00 0.00 H new ATOM 0 HB ILE A 481 12.533 0.568 -4.195 1.00 0.00 H new ATOM 0 HG12 ILE A 481 10.625 1.568 -2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 481 12.312 1.201 -1.751 1.00 0.00 H new ATOM 0 HG21 ILE A 481 10.564 1.800 -5.015 1.00 0.00 H new ATOM 0 HG22 ILE A 481 10.481 0.073 -5.438 1.00 0.00 H new ATOM 0 HG23 ILE A 481 9.501 0.708 -4.095 1.00 0.00 H new ATOM 0 HD11 ILE A 481 11.988 3.599 -2.120 1.00 0.00 H new ATOM 0 HD12 ILE A 481 12.993 2.898 -3.411 1.00 0.00 H new ATOM 0 HD13 ILE A 481 11.280 3.270 -3.719 1.00 0.00 H new ATOM 411 N ALA A 482 12.314 -0.969 -0.809 1.00 0.00 N ATOM 412 CA ALA A 482 13.313 -1.176 0.232 1.00 0.00 C ATOM 413 C ALA A 482 12.758 -2.035 1.363 1.00 0.00 C ATOM 414 O ALA A 482 11.585 -2.405 1.356 1.00 0.00 O ATOM 415 CB ALA A 482 13.798 0.162 0.773 1.00 0.00 C ATOM 0 H ALA A 482 11.404 -0.661 -0.465 1.00 0.00 H new ATOM 0 HA ALA A 482 14.157 -1.705 -0.210 1.00 0.00 H new ATOM 0 HB1 ALA A 482 14.544 -0.008 1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 482 14.242 0.742 -0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 482 12.956 0.712 1.193 1.00 0.00 H new ATOM 421 N GLY A 483 13.610 -2.351 2.334 1.00 0.00 N ATOM 422 CA GLY A 483 13.186 -3.166 3.457 1.00 0.00 C ATOM 423 C GLY A 483 13.488 -4.637 3.253 1.00 0.00 C ATOM 424 O GLY A 483 14.281 -5.000 2.384 1.00 0.00 O ATOM 0 H GLY A 483 14.586 -2.057 2.363 1.00 0.00 H new ATOM 0 HA2 GLY A 483 13.684 -2.818 4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 483 12.115 -3.036 3.612 1.00 0.00 H new ATOM 428 N ARG A 484 12.856 -5.487 4.057 1.00 0.00 N ATOM 429 CA ARG A 484 13.064 -6.927 3.962 1.00 0.00 C ATOM 430 C ARG A 484 12.162 -7.537 2.893 1.00 0.00 C ATOM 431 O ARG A 484 12.414 -8.641 2.410 1.00 0.00 O ATOM 432 CB ARG A 484 12.795 -7.592 5.313 1.00 0.00 C ATOM 433 CG ARG A 484 13.318 -9.016 5.405 1.00 0.00 C ATOM 434 CD ARG A 484 12.705 -9.759 6.582 1.00 0.00 C ATOM 435 NE ARG A 484 12.771 -11.208 6.408 1.00 0.00 N ATOM 436 CZ ARG A 484 11.943 -12.058 7.005 1.00 0.00 C ATOM 437 NH1 ARG A 484 10.990 -11.606 7.809 1.00 0.00 N ATOM 438 NH2 ARG A 484 12.066 -13.363 6.797 1.00 0.00 N ATOM 0 H ARG A 484 12.196 -5.203 4.781 1.00 0.00 H new ATOM 0 HA ARG A 484 14.102 -7.102 3.679 1.00 0.00 H new ATOM 0 HB2 ARG A 484 13.253 -6.994 6.101 1.00 0.00 H new ATOM 0 HB3 ARG A 484 11.721 -7.595 5.499 1.00 0.00 H new ATOM 0 HG2 ARG A 484 13.093 -9.548 4.480 1.00 0.00 H new ATOM 0 HG3 ARG A 484 14.403 -9.000 5.508 1.00 0.00 H new ATOM 0 HD2 ARG A 484 13.226 -9.480 7.498 1.00 0.00 H new ATOM 0 HD3 ARG A 484 11.665 -9.455 6.701 1.00 0.00 H new ATOM 0 HE ARG A 484 13.492 -11.588 5.795 1.00 0.00 H new ATOM 0 HH11 ARG A 484 10.892 -10.604 7.970 1.00 0.00 H new ATOM 0 HH12 ARG A 484 10.355 -12.261 8.266 1.00 0.00 H new ATOM 0 HH21 ARG A 484 12.797 -13.714 6.178 1.00 0.00 H new ATOM 0 HH22 ARG A 484 11.430 -14.015 7.256 1.00 0.00 H new ATOM 452 N PHE A 485 11.110 -6.811 2.529 1.00 0.00 N ATOM 453 CA PHE A 485 10.170 -7.281 1.519 1.00 0.00 C ATOM 454 C PHE A 485 10.361 -6.529 0.205 1.00 0.00 C ATOM 455 O PHE A 485 9.392 -6.162 -0.459 1.00 0.00 O ATOM 456 CB PHE A 485 8.731 -7.111 2.012 1.00 0.00 C ATOM 457 CG PHE A 485 8.494 -7.687 3.379 1.00 0.00 C ATOM 458 CD1 PHE A 485 8.828 -6.968 4.515 1.00 0.00 C ATOM 459 CD2 PHE A 485 7.937 -8.947 3.527 1.00 0.00 C ATOM 460 CE1 PHE A 485 8.611 -7.495 5.774 1.00 0.00 C ATOM 461 CE2 PHE A 485 7.717 -9.478 4.784 1.00 0.00 C ATOM 462 CZ PHE A 485 8.056 -8.752 5.909 1.00 0.00 C ATOM 0 H PHE A 485 10.887 -5.895 2.919 1.00 0.00 H new ATOM 0 HA PHE A 485 10.364 -8.339 1.343 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.483 -6.050 2.026 1.00 0.00 H new ATOM 0 HB3 PHE A 485 8.054 -7.588 1.303 1.00 0.00 H new ATOM 0 HD1 PHE A 485 9.263 -5.984 4.416 1.00 0.00 H new ATOM 0 HD2 PHE A 485 7.672 -9.520 2.651 1.00 0.00 H new ATOM 0 HE1 PHE A 485 8.875 -6.924 6.652 1.00 0.00 H new ATOM 0 HE2 PHE A 485 7.280 -10.460 4.886 1.00 0.00 H new ATOM 0 HZ PHE A 485 7.887 -9.167 6.892 1.00 0.00 H new ATOM 472 N GLU A 486 11.619 -6.303 -0.163 1.00 0.00 N ATOM 473 CA GLU A 486 11.938 -5.594 -1.396 1.00 0.00 C ATOM 474 C GLU A 486 11.626 -6.456 -2.616 1.00 0.00 C ATOM 475 O GLU A 486 11.973 -7.635 -2.662 1.00 0.00 O ATOM 476 CB GLU A 486 13.412 -5.186 -1.410 1.00 0.00 C ATOM 477 CG GLU A 486 13.886 -4.661 -2.754 1.00 0.00 C ATOM 478 CD GLU A 486 15.305 -4.127 -2.705 1.00 0.00 C ATOM 479 OE1 GLU A 486 15.686 -3.552 -1.664 1.00 0.00 O ATOM 480 OE2 GLU A 486 16.034 -4.285 -3.707 1.00 0.00 O ATOM 0 H GLU A 486 12.433 -6.601 0.375 1.00 0.00 H new ATOM 0 HA GLU A 486 11.320 -4.697 -1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 486 13.575 -4.420 -0.652 1.00 0.00 H new ATOM 0 HB3 GLU A 486 14.021 -6.046 -1.130 1.00 0.00 H new ATOM 0 HG2 GLU A 486 13.828 -5.460 -3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 486 13.215 -3.869 -3.088 1.00 0.00 H new ATOM 487 N GLY A 487 10.967 -5.857 -3.604 1.00 0.00 N ATOM 488 CA GLY A 487 10.618 -6.585 -4.811 1.00 0.00 C ATOM 489 C GLY A 487 9.242 -7.214 -4.731 1.00 0.00 C ATOM 490 O GLY A 487 8.901 -8.082 -5.535 1.00 0.00 O ATOM 0 H GLY A 487 10.669 -4.882 -3.590 1.00 0.00 H new ATOM 0 HA2 GLY A 487 10.655 -5.907 -5.664 1.00 0.00 H new ATOM 0 HA3 GLY A 487 11.360 -7.363 -4.990 1.00 0.00 H new ATOM 494 N ASP A 488 8.448 -6.776 -3.759 1.00 0.00 N ATOM 495 CA ASP A 488 7.101 -7.303 -3.577 1.00 0.00 C ATOM 496 C ASP A 488 6.060 -6.198 -3.730 1.00 0.00 C ATOM 497 O ASP A 488 6.243 -5.084 -3.236 1.00 0.00 O ATOM 498 CB ASP A 488 6.968 -7.959 -2.202 1.00 0.00 C ATOM 499 CG ASP A 488 7.626 -9.323 -2.145 1.00 0.00 C ATOM 500 OD1 ASP A 488 8.768 -9.452 -2.633 1.00 0.00 O ATOM 501 OD2 ASP A 488 6.998 -10.262 -1.613 1.00 0.00 O ATOM 0 H ASP A 488 8.714 -6.058 -3.086 1.00 0.00 H new ATOM 0 HA ASP A 488 6.924 -8.054 -4.347 1.00 0.00 H new ATOM 0 HB2 ASP A 488 7.416 -7.311 -1.449 1.00 0.00 H new ATOM 0 HB3 ASP A 488 5.912 -8.058 -1.950 1.00 0.00 H new ATOM 506 N THR A 489 4.967 -6.512 -4.419 1.00 0.00 N ATOM 507 CA THR A 489 3.899 -5.545 -4.639 1.00 0.00 C ATOM 508 C THR A 489 2.595 -6.012 -4.001 1.00 0.00 C ATOM 509 O THR A 489 2.359 -7.211 -3.853 1.00 0.00 O ATOM 510 CB THR A 489 3.663 -5.301 -6.141 1.00 0.00 C ATOM 511 OG1 THR A 489 2.890 -6.371 -6.696 1.00 0.00 O ATOM 512 CG2 THR A 489 4.985 -5.185 -6.884 1.00 0.00 C ATOM 0 H THR A 489 4.799 -7.428 -4.834 1.00 0.00 H new ATOM 0 HA THR A 489 4.216 -4.612 -4.172 1.00 0.00 H new ATOM 0 HB THR A 489 3.118 -4.364 -6.253 1.00 0.00 H new ATOM 0 HG1 THR A 489 2.743 -6.207 -7.651 1.00 0.00 H new ATOM 0 HG21 THR A 489 4.793 -5.013 -7.943 1.00 0.00 H new ATOM 0 HG22 THR A 489 5.558 -4.351 -6.479 1.00 0.00 H new ATOM 0 HG23 THR A 489 5.552 -6.108 -6.763 1.00 0.00 H new ATOM 520 N GLY A 490 1.750 -5.057 -3.624 1.00 0.00 N ATOM 521 CA GLY A 490 0.480 -5.391 -3.007 1.00 0.00 C ATOM 522 C GLY A 490 -0.373 -4.168 -2.737 1.00 0.00 C ATOM 523 O GLY A 490 0.052 -3.038 -2.984 1.00 0.00 O ATOM 0 H GLY A 490 1.923 -4.058 -3.735 1.00 0.00 H new ATOM 0 HA2 GLY A 490 -0.067 -6.075 -3.656 1.00 0.00 H new ATOM 0 HA3 GLY A 490 0.662 -5.917 -2.070 1.00 0.00 H new ATOM 527 N LEU A 491 -1.581 -4.391 -2.232 1.00 0.00 N ATOM 528 CA LEU A 491 -2.498 -3.297 -1.930 1.00 0.00 C ATOM 529 C LEU A 491 -2.402 -2.895 -0.462 1.00 0.00 C ATOM 530 O LEU A 491 -1.840 -3.625 0.356 1.00 0.00 O ATOM 531 CB LEU A 491 -3.934 -3.701 -2.268 1.00 0.00 C ATOM 532 CG LEU A 491 -4.402 -3.393 -3.691 1.00 0.00 C ATOM 533 CD1 LEU A 491 -5.530 -4.329 -4.096 1.00 0.00 C ATOM 534 CD2 LEU A 491 -4.843 -1.941 -3.804 1.00 0.00 C ATOM 0 H LEU A 491 -1.949 -5.319 -2.023 1.00 0.00 H new ATOM 0 HA LEU A 491 -2.215 -2.440 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 491 -4.038 -4.772 -2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 491 -4.605 -3.200 -1.570 1.00 0.00 H new ATOM 0 HG LEU A 491 -3.565 -3.551 -4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 491 -5.850 -4.095 -5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 491 -5.180 -5.360 -4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 491 -6.370 -4.204 -3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 491 -5.173 -1.739 -4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 491 -5.665 -1.756 -3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 491 -4.007 -1.287 -3.557 1.00 0.00 H new ATOM 546 N ILE A 492 -2.957 -1.733 -0.134 1.00 0.00 N ATOM 547 CA ILE A 492 -2.937 -1.237 1.236 1.00 0.00 C ATOM 548 C ILE A 492 -4.212 -1.622 1.979 1.00 0.00 C ATOM 549 O ILE A 492 -5.300 -1.148 1.652 1.00 0.00 O ATOM 550 CB ILE A 492 -2.773 0.294 1.279 1.00 0.00 C ATOM 551 CG1 ILE A 492 -1.502 0.713 0.538 1.00 0.00 C ATOM 552 CG2 ILE A 492 -2.740 0.783 2.719 1.00 0.00 C ATOM 553 CD1 ILE A 492 -1.346 2.212 0.407 1.00 0.00 C ATOM 0 H ILE A 492 -3.426 -1.118 -0.799 1.00 0.00 H new ATOM 0 HA ILE A 492 -2.080 -1.699 1.726 1.00 0.00 H new ATOM 0 HB ILE A 492 -3.628 0.751 0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 492 -0.636 0.310 1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 492 -1.508 0.268 -0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 492 -2.624 1.867 2.733 1.00 0.00 H new ATOM 0 HG22 ILE A 492 -3.671 0.512 3.217 1.00 0.00 H new ATOM 0 HG23 ILE A 492 -1.902 0.322 3.241 1.00 0.00 H new ATOM 0 HD11 ILE A 492 -0.424 2.436 -0.129 1.00 0.00 H new ATOM 0 HD12 ILE A 492 -2.194 2.619 -0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 492 -1.308 2.662 1.399 1.00 0.00 H new ATOM 565 N VAL A 493 -4.069 -2.483 2.982 1.00 0.00 N ATOM 566 CA VAL A 493 -5.209 -2.929 3.774 1.00 0.00 C ATOM 567 C VAL A 493 -5.282 -2.183 5.101 1.00 0.00 C ATOM 568 O VAL A 493 -6.368 -1.926 5.622 1.00 0.00 O ATOM 569 CB VAL A 493 -5.141 -4.443 4.051 1.00 0.00 C ATOM 570 CG1 VAL A 493 -5.603 -5.230 2.834 1.00 0.00 C ATOM 571 CG2 VAL A 493 -3.732 -4.847 4.455 1.00 0.00 C ATOM 0 H VAL A 493 -3.175 -2.885 3.265 1.00 0.00 H new ATOM 0 HA VAL A 493 -6.104 -2.714 3.190 1.00 0.00 H new ATOM 0 HB VAL A 493 -5.812 -4.674 4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.548 -6.297 3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -6.632 -4.960 2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -4.961 -4.997 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -3.702 -5.920 4.647 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -3.039 -4.603 3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -3.444 -4.309 5.358 1.00 0.00 H new ATOM 581 N ARG A 494 -4.119 -1.838 5.644 1.00 0.00 N ATOM 582 CA ARG A 494 -4.051 -1.121 6.912 1.00 0.00 C ATOM 583 C ARG A 494 -2.927 -0.089 6.893 1.00 0.00 C ATOM 584 O ARG A 494 -1.915 -0.270 6.216 1.00 0.00 O ATOM 585 CB ARG A 494 -3.838 -2.103 8.066 1.00 0.00 C ATOM 586 CG ARG A 494 -4.441 -1.637 9.381 1.00 0.00 C ATOM 587 CD ARG A 494 -4.241 -2.667 10.481 1.00 0.00 C ATOM 588 NE ARG A 494 -4.560 -2.127 11.801 1.00 0.00 N ATOM 589 CZ ARG A 494 -4.856 -2.884 12.852 1.00 0.00 C ATOM 590 NH1 ARG A 494 -4.873 -4.204 12.739 1.00 0.00 N ATOM 591 NH2 ARG A 494 -5.135 -2.318 14.019 1.00 0.00 N ATOM 0 H ARG A 494 -3.211 -2.043 5.226 1.00 0.00 H new ATOM 0 HA ARG A 494 -4.997 -0.599 7.058 1.00 0.00 H new ATOM 0 HB2 ARG A 494 -4.273 -3.066 7.798 1.00 0.00 H new ATOM 0 HB3 ARG A 494 -2.769 -2.263 8.203 1.00 0.00 H new ATOM 0 HG2 ARG A 494 -3.984 -0.693 9.678 1.00 0.00 H new ATOM 0 HG3 ARG A 494 -5.506 -1.448 9.247 1.00 0.00 H new ATOM 0 HD2 ARG A 494 -4.869 -3.535 10.283 1.00 0.00 H new ATOM 0 HD3 ARG A 494 -3.207 -3.012 10.471 1.00 0.00 H new ATOM 0 HE ARG A 494 -4.555 -1.114 11.922 1.00 0.00 H new ATOM 0 HH11 ARG A 494 -4.658 -4.642 11.843 1.00 0.00 H new ATOM 0 HH12 ARG A 494 -5.101 -4.782 13.548 1.00 0.00 H new ATOM 0 HH21 ARG A 494 -5.122 -1.302 14.109 1.00 0.00 H new ATOM 0 HH22 ARG A 494 -5.362 -2.899 14.826 1.00 0.00 H new ATOM 605 N VAL A 495 -3.112 0.994 7.642 1.00 0.00 N ATOM 606 CA VAL A 495 -2.114 2.054 7.712 1.00 0.00 C ATOM 607 C VAL A 495 -1.951 2.561 9.140 1.00 0.00 C ATOM 608 O VAL A 495 -2.929 2.901 9.804 1.00 0.00 O ATOM 609 CB VAL A 495 -2.487 3.237 6.798 1.00 0.00 C ATOM 610 CG1 VAL A 495 -1.311 4.191 6.654 1.00 0.00 C ATOM 611 CG2 VAL A 495 -2.947 2.734 5.438 1.00 0.00 C ATOM 0 H VAL A 495 -3.944 1.160 8.209 1.00 0.00 H new ATOM 0 HA VAL A 495 -1.171 1.625 7.372 1.00 0.00 H new ATOM 0 HB VAL A 495 -3.312 3.783 7.256 1.00 0.00 H new ATOM 0 HG11 VAL A 495 -1.593 5.020 6.005 1.00 0.00 H new ATOM 0 HG12 VAL A 495 -1.033 4.576 7.635 1.00 0.00 H new ATOM 0 HG13 VAL A 495 -0.464 3.661 6.219 1.00 0.00 H new ATOM 0 HG21 VAL A 495 -3.207 3.583 4.805 1.00 0.00 H new ATOM 0 HG22 VAL A 495 -2.144 2.164 4.970 1.00 0.00 H new ATOM 0 HG23 VAL A 495 -3.820 2.094 5.563 1.00 0.00 H new ATOM 621 N GLU A 496 -0.707 2.610 9.607 1.00 0.00 N ATOM 622 CA GLU A 496 -0.416 3.076 10.958 1.00 0.00 C ATOM 623 C GLU A 496 0.622 4.194 10.936 1.00 0.00 C ATOM 624 O GLU A 496 1.549 4.178 10.126 1.00 0.00 O ATOM 625 CB GLU A 496 0.084 1.918 11.824 1.00 0.00 C ATOM 626 CG GLU A 496 -0.930 0.799 11.989 1.00 0.00 C ATOM 627 CD GLU A 496 -1.838 1.006 13.186 1.00 0.00 C ATOM 628 OE1 GLU A 496 -1.344 1.486 14.228 1.00 0.00 O ATOM 629 OE2 GLU A 496 -3.041 0.689 13.082 1.00 0.00 O ATOM 0 H GLU A 496 0.115 2.333 9.070 1.00 0.00 H new ATOM 0 HA GLU A 496 -1.338 3.468 11.386 1.00 0.00 H new ATOM 0 HB2 GLU A 496 0.993 1.511 11.381 1.00 0.00 H new ATOM 0 HB3 GLU A 496 0.353 2.301 12.808 1.00 0.00 H new ATOM 0 HG2 GLU A 496 -1.536 0.727 11.086 1.00 0.00 H new ATOM 0 HG3 GLU A 496 -0.404 -0.150 12.096 1.00 0.00 H new ATOM 636 N GLU A 497 0.459 5.163 11.831 1.00 0.00 N ATOM 637 CA GLU A 497 1.381 6.289 11.913 1.00 0.00 C ATOM 638 C GLU A 497 2.829 5.807 11.936 1.00 0.00 C ATOM 639 O GLU A 497 3.747 6.552 11.597 1.00 0.00 O ATOM 640 CB GLU A 497 1.091 7.125 13.162 1.00 0.00 C ATOM 641 CG GLU A 497 1.898 8.410 13.236 1.00 0.00 C ATOM 642 CD GLU A 497 1.463 9.433 12.205 1.00 0.00 C ATOM 643 OE1 GLU A 497 0.240 9.642 12.058 1.00 0.00 O ATOM 644 OE2 GLU A 497 2.343 10.023 11.545 1.00 0.00 O ATOM 0 H GLU A 497 -0.303 5.191 12.509 1.00 0.00 H new ATOM 0 HA GLU A 497 1.236 6.908 11.028 1.00 0.00 H new ATOM 0 HB2 GLU A 497 0.029 7.371 13.186 1.00 0.00 H new ATOM 0 HB3 GLU A 497 1.299 6.524 14.047 1.00 0.00 H new ATOM 0 HG2 GLU A 497 1.799 8.840 14.233 1.00 0.00 H new ATOM 0 HG3 GLU A 497 2.954 8.180 13.091 1.00 0.00 H new ATOM 651 N ASN A 498 3.023 4.556 12.339 1.00 0.00 N ATOM 652 CA ASN A 498 4.358 3.973 12.407 1.00 0.00 C ATOM 653 C ASN A 498 4.737 3.323 11.080 1.00 0.00 C ATOM 654 O ASN A 498 5.743 3.680 10.466 1.00 0.00 O ATOM 655 CB ASN A 498 4.430 2.940 13.533 1.00 0.00 C ATOM 656 CG ASN A 498 4.473 3.582 14.906 1.00 0.00 C ATOM 657 OD1 ASN A 498 5.073 4.641 15.089 1.00 0.00 O ATOM 658 ND2 ASN A 498 3.834 2.942 15.878 1.00 0.00 N ATOM 0 H ASN A 498 2.273 3.926 12.624 1.00 0.00 H new ATOM 0 HA ASN A 498 5.067 4.775 12.613 1.00 0.00 H new ATOM 0 HB2 ASN A 498 3.566 2.279 13.471 1.00 0.00 H new ATOM 0 HB3 ASN A 498 5.316 2.320 13.397 1.00 0.00 H new ATOM 0 HD21 ASN A 498 3.827 3.326 16.823 1.00 0.00 H new ATOM 0 HD22 ASN A 498 3.350 2.066 15.680 1.00 0.00 H new ATOM 665 N PHE A 499 3.924 2.368 10.642 1.00 0.00 N ATOM 666 CA PHE A 499 4.173 1.667 9.387 1.00 0.00 C ATOM 667 C PHE A 499 2.865 1.375 8.658 1.00 0.00 C ATOM 668 O PHE A 499 1.780 1.548 9.213 1.00 0.00 O ATOM 669 CB PHE A 499 4.927 0.362 9.649 1.00 0.00 C ATOM 670 CG PHE A 499 4.613 -0.256 10.982 1.00 0.00 C ATOM 671 CD1 PHE A 499 3.517 -1.090 11.132 1.00 0.00 C ATOM 672 CD2 PHE A 499 5.413 -0.002 12.084 1.00 0.00 C ATOM 673 CE1 PHE A 499 3.225 -1.659 12.357 1.00 0.00 C ATOM 674 CE2 PHE A 499 5.126 -0.568 13.312 1.00 0.00 C ATOM 675 CZ PHE A 499 4.031 -1.398 13.448 1.00 0.00 C ATOM 0 H PHE A 499 3.087 2.061 11.137 1.00 0.00 H new ATOM 0 HA PHE A 499 4.784 2.311 8.755 1.00 0.00 H new ATOM 0 HB2 PHE A 499 4.686 -0.352 8.861 1.00 0.00 H new ATOM 0 HB3 PHE A 499 5.999 0.553 9.590 1.00 0.00 H new ATOM 0 HD1 PHE A 499 2.884 -1.298 10.282 1.00 0.00 H new ATOM 0 HD2 PHE A 499 6.271 0.646 11.983 1.00 0.00 H new ATOM 0 HE1 PHE A 499 2.367 -2.307 12.461 1.00 0.00 H new ATOM 0 HE2 PHE A 499 5.757 -0.361 14.164 1.00 0.00 H new ATOM 0 HZ PHE A 499 3.805 -1.843 14.406 1.00 0.00 H new ATOM 685 N VAL A 500 2.976 0.931 7.410 1.00 0.00 N ATOM 686 CA VAL A 500 1.804 0.614 6.604 1.00 0.00 C ATOM 687 C VAL A 500 1.766 -0.868 6.248 1.00 0.00 C ATOM 688 O VAL A 500 2.771 -1.441 5.827 1.00 0.00 O ATOM 689 CB VAL A 500 1.773 1.443 5.307 1.00 0.00 C ATOM 690 CG1 VAL A 500 0.514 1.142 4.509 1.00 0.00 C ATOM 691 CG2 VAL A 500 1.873 2.928 5.622 1.00 0.00 C ATOM 0 H VAL A 500 3.867 0.783 6.935 1.00 0.00 H new ATOM 0 HA VAL A 500 0.930 0.863 7.206 1.00 0.00 H new ATOM 0 HB VAL A 500 2.634 1.165 4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 500 0.511 1.738 3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 500 0.491 0.083 4.251 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -0.363 1.389 5.107 1.00 0.00 H new ATOM 0 HG21 VAL A 500 1.850 3.499 4.694 1.00 0.00 H new ATOM 0 HG22 VAL A 500 1.034 3.224 6.251 1.00 0.00 H new ATOM 0 HG23 VAL A 500 2.808 3.127 6.147 1.00 0.00 H new ATOM 701 N ILE A 501 0.600 -1.482 6.420 1.00 0.00 N ATOM 702 CA ILE A 501 0.431 -2.898 6.115 1.00 0.00 C ATOM 703 C ILE A 501 -0.236 -3.092 4.757 1.00 0.00 C ATOM 704 O ILE A 501 -1.377 -2.678 4.549 1.00 0.00 O ATOM 705 CB ILE A 501 -0.407 -3.610 7.193 1.00 0.00 C ATOM 706 CG1 ILE A 501 0.053 -3.188 8.589 1.00 0.00 C ATOM 707 CG2 ILE A 501 -0.308 -5.119 7.030 1.00 0.00 C ATOM 708 CD1 ILE A 501 1.384 -3.782 8.992 1.00 0.00 C ATOM 0 H ILE A 501 -0.241 -1.022 6.769 1.00 0.00 H new ATOM 0 HA ILE A 501 1.428 -3.337 6.093 1.00 0.00 H new ATOM 0 HB ILE A 501 -1.450 -3.319 7.072 1.00 0.00 H new ATOM 0 HG12 ILE A 501 0.123 -2.101 8.626 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -0.703 -3.484 9.317 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -0.906 -5.608 7.799 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -0.680 -5.404 6.046 1.00 0.00 H new ATOM 0 HG23 ILE A 501 0.733 -5.428 7.128 1.00 0.00 H new ATOM 0 HD11 ILE A 501 1.647 -3.440 9.993 1.00 0.00 H new ATOM 0 HD12 ILE A 501 1.313 -4.870 8.987 1.00 0.00 H new ATOM 0 HD13 ILE A 501 2.152 -3.465 8.287 1.00 0.00 H new ATOM 720 N LEU A 502 0.483 -3.726 3.837 1.00 0.00 N ATOM 721 CA LEU A 502 -0.040 -3.977 2.498 1.00 0.00 C ATOM 722 C LEU A 502 -0.204 -5.473 2.250 1.00 0.00 C ATOM 723 O LEU A 502 0.656 -6.273 2.621 1.00 0.00 O ATOM 724 CB LEU A 502 0.890 -3.373 1.445 1.00 0.00 C ATOM 725 CG LEU A 502 2.139 -4.188 1.105 1.00 0.00 C ATOM 726 CD1 LEU A 502 2.706 -3.759 -0.239 1.00 0.00 C ATOM 727 CD2 LEU A 502 3.186 -4.040 2.199 1.00 0.00 C ATOM 0 H LEU A 502 1.429 -4.075 3.993 1.00 0.00 H new ATOM 0 HA LEU A 502 -1.020 -3.505 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 502 0.319 -3.222 0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 502 1.206 -2.389 1.790 1.00 0.00 H new ATOM 0 HG LEU A 502 1.857 -5.239 1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 502 3.594 -4.349 -0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 502 1.958 -3.917 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 502 2.973 -2.703 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 502 4.068 -4.626 1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 502 3.464 -2.991 2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 502 2.777 -4.397 3.144 1.00 0.00 H new ATOM 739 N PHE A 503 -1.313 -5.845 1.619 1.00 0.00 N ATOM 740 CA PHE A 503 -1.590 -7.245 1.320 1.00 0.00 C ATOM 741 C PHE A 503 -0.907 -7.669 0.023 1.00 0.00 C ATOM 742 O PHE A 503 -1.093 -7.045 -1.022 1.00 0.00 O ATOM 743 CB PHE A 503 -3.098 -7.478 1.215 1.00 0.00 C ATOM 744 CG PHE A 503 -3.472 -8.923 1.048 1.00 0.00 C ATOM 745 CD1 PHE A 503 -3.695 -9.727 2.154 1.00 0.00 C ATOM 746 CD2 PHE A 503 -3.600 -9.477 -0.215 1.00 0.00 C ATOM 747 CE1 PHE A 503 -4.038 -11.057 2.003 1.00 0.00 C ATOM 748 CE2 PHE A 503 -3.944 -10.807 -0.373 1.00 0.00 C ATOM 749 CZ PHE A 503 -4.164 -11.598 0.738 1.00 0.00 C ATOM 0 H PHE A 503 -2.035 -5.196 1.305 1.00 0.00 H new ATOM 0 HA PHE A 503 -1.192 -7.850 2.135 1.00 0.00 H new ATOM 0 HB2 PHE A 503 -3.581 -7.087 2.111 1.00 0.00 H new ATOM 0 HB3 PHE A 503 -3.487 -6.910 0.370 1.00 0.00 H new ATOM 0 HD1 PHE A 503 -3.600 -9.309 3.145 1.00 0.00 H new ATOM 0 HD2 PHE A 503 -3.429 -8.863 -1.087 1.00 0.00 H new ATOM 0 HE1 PHE A 503 -4.208 -11.673 2.873 1.00 0.00 H new ATOM 0 HE2 PHE A 503 -4.041 -11.227 -1.363 1.00 0.00 H new ATOM 0 HZ PHE A 503 -4.434 -12.637 0.618 1.00 0.00 H new ATOM 759 N SER A 504 -0.116 -8.734 0.098 1.00 0.00 N ATOM 760 CA SER A 504 0.599 -9.240 -1.068 1.00 0.00 C ATOM 761 C SER A 504 -0.298 -10.151 -1.902 1.00 0.00 C ATOM 762 O SER A 504 -0.940 -11.059 -1.374 1.00 0.00 O ATOM 763 CB SER A 504 1.854 -10.000 -0.634 1.00 0.00 C ATOM 764 OG SER A 504 2.661 -10.332 -1.750 1.00 0.00 O ATOM 0 H SER A 504 0.046 -9.264 0.954 1.00 0.00 H new ATOM 0 HA SER A 504 0.893 -8.388 -1.681 1.00 0.00 H new ATOM 0 HB2 SER A 504 2.428 -9.392 0.065 1.00 0.00 H new ATOM 0 HB3 SER A 504 1.568 -10.909 -0.105 1.00 0.00 H new ATOM 0 HG SER A 504 3.457 -10.816 -1.446 1.00 0.00 H new ATOM 770 N ASP A 505 -0.335 -9.900 -3.206 1.00 0.00 N ATOM 771 CA ASP A 505 -1.152 -10.697 -4.114 1.00 0.00 C ATOM 772 C ASP A 505 -0.454 -12.008 -4.464 1.00 0.00 C ATOM 773 O ASP A 505 -1.060 -12.911 -5.041 1.00 0.00 O ATOM 774 CB ASP A 505 -1.452 -9.908 -5.389 1.00 0.00 C ATOM 775 CG ASP A 505 -2.224 -8.633 -5.113 1.00 0.00 C ATOM 776 OD1 ASP A 505 -3.337 -8.723 -4.556 1.00 0.00 O ATOM 777 OD2 ASP A 505 -1.715 -7.545 -5.456 1.00 0.00 O ATOM 0 H ASP A 505 0.191 -9.152 -3.658 1.00 0.00 H new ATOM 0 HA ASP A 505 -2.090 -10.929 -3.611 1.00 0.00 H new ATOM 0 HB2 ASP A 505 -0.515 -9.661 -5.889 1.00 0.00 H new ATOM 0 HB3 ASP A 505 -2.023 -10.534 -6.074 1.00 0.00 H new ATOM 782 N LEU A 506 0.823 -12.104 -4.112 1.00 0.00 N ATOM 783 CA LEU A 506 1.605 -13.304 -4.389 1.00 0.00 C ATOM 784 C LEU A 506 1.672 -14.207 -3.162 1.00 0.00 C ATOM 785 O LEU A 506 1.278 -15.373 -3.213 1.00 0.00 O ATOM 786 CB LEU A 506 3.019 -12.924 -4.834 1.00 0.00 C ATOM 787 CG LEU A 506 3.133 -12.248 -6.201 1.00 0.00 C ATOM 788 CD1 LEU A 506 4.550 -11.744 -6.430 1.00 0.00 C ATOM 789 CD2 LEU A 506 2.721 -13.209 -7.307 1.00 0.00 C ATOM 0 H LEU A 506 1.339 -11.365 -3.634 1.00 0.00 H new ATOM 0 HA LEU A 506 1.112 -13.851 -5.193 1.00 0.00 H new ATOM 0 HB2 LEU A 506 3.448 -12.258 -4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 506 3.630 -13.827 -4.845 1.00 0.00 H new ATOM 0 HG LEU A 506 2.457 -11.393 -6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 506 4.613 -11.266 -7.408 1.00 0.00 H new ATOM 0 HD12 LEU A 506 4.809 -11.022 -5.656 1.00 0.00 H new ATOM 0 HD13 LEU A 506 5.245 -12.583 -6.391 1.00 0.00 H new ATOM 0 HD21 LEU A 506 2.808 -12.711 -8.273 1.00 0.00 H new ATOM 0 HD22 LEU A 506 3.371 -14.084 -7.290 1.00 0.00 H new ATOM 0 HD23 LEU A 506 1.688 -13.521 -7.152 1.00 0.00 H new ATOM 801 N THR A 507 2.170 -13.660 -2.057 1.00 0.00 N ATOM 802 CA THR A 507 2.287 -14.415 -0.816 1.00 0.00 C ATOM 803 C THR A 507 0.976 -14.399 -0.037 1.00 0.00 C ATOM 804 O THR A 507 0.888 -14.953 1.058 1.00 0.00 O ATOM 805 CB THR A 507 3.409 -13.855 0.078 1.00 0.00 C ATOM 806 OG1 THR A 507 3.116 -12.502 0.444 1.00 0.00 O ATOM 807 CG2 THR A 507 4.750 -13.913 -0.637 1.00 0.00 C ATOM 0 H THR A 507 2.499 -12.696 -1.997 1.00 0.00 H new ATOM 0 HA THR A 507 2.530 -15.441 -1.092 1.00 0.00 H new ATOM 0 HB THR A 507 3.467 -14.469 0.977 1.00 0.00 H new ATOM 0 HG1 THR A 507 3.834 -12.154 1.014 1.00 0.00 H new ATOM 0 HG21 THR A 507 5.527 -13.512 0.014 1.00 0.00 H new ATOM 0 HG22 THR A 507 4.984 -14.948 -0.887 1.00 0.00 H new ATOM 0 HG23 THR A 507 4.701 -13.321 -1.551 1.00 0.00 H new ATOM 815 N MET A 508 -0.039 -13.761 -0.610 1.00 0.00 N ATOM 816 CA MET A 508 -1.346 -13.675 0.031 1.00 0.00 C ATOM 817 C MET A 508 -1.202 -13.525 1.542 1.00 0.00 C ATOM 818 O MET A 508 -1.837 -14.247 2.311 1.00 0.00 O ATOM 819 CB MET A 508 -2.179 -14.917 -0.293 1.00 0.00 C ATOM 820 CG MET A 508 -2.309 -15.190 -1.782 1.00 0.00 C ATOM 821 SD MET A 508 -3.714 -14.338 -2.525 1.00 0.00 S ATOM 822 CE MET A 508 -5.055 -15.434 -2.069 1.00 0.00 C ATOM 0 H MET A 508 0.018 -13.296 -1.516 1.00 0.00 H new ATOM 0 HA MET A 508 -1.856 -12.793 -0.357 1.00 0.00 H new ATOM 0 HB2 MET A 508 -1.726 -15.784 0.189 1.00 0.00 H new ATOM 0 HB3 MET A 508 -3.175 -14.798 0.135 1.00 0.00 H new ATOM 0 HG2 MET A 508 -1.393 -14.880 -2.285 1.00 0.00 H new ATOM 0 HG3 MET A 508 -2.413 -16.263 -1.943 1.00 0.00 H new ATOM 0 HE1 MET A 508 -5.994 -15.041 -2.458 1.00 0.00 H new ATOM 0 HE2 MET A 508 -4.874 -16.424 -2.488 1.00 0.00 H new ATOM 0 HE3 MET A 508 -5.113 -15.505 -0.983 1.00 0.00 H new ATOM 832 N HIS A 509 -0.363 -12.583 1.961 1.00 0.00 N ATOM 833 CA HIS A 509 -0.135 -12.338 3.381 1.00 0.00 C ATOM 834 C HIS A 509 -0.010 -10.844 3.661 1.00 0.00 C ATOM 835 O HIS A 509 0.148 -10.042 2.742 1.00 0.00 O ATOM 836 CB HIS A 509 1.126 -13.064 3.850 1.00 0.00 C ATOM 837 CG HIS A 509 0.934 -14.538 4.034 1.00 0.00 C ATOM 838 ND1 HIS A 509 -0.240 -15.093 4.496 1.00 0.00 N ATOM 839 CD2 HIS A 509 1.777 -15.575 3.813 1.00 0.00 C ATOM 840 CE1 HIS A 509 -0.112 -16.407 4.553 1.00 0.00 C ATOM 841 NE2 HIS A 509 1.103 -16.725 4.143 1.00 0.00 N ATOM 0 H HIS A 509 0.170 -11.977 1.338 1.00 0.00 H new ATOM 0 HA HIS A 509 -0.993 -12.723 3.933 1.00 0.00 H new ATOM 0 HB2 HIS A 509 1.922 -12.897 3.125 1.00 0.00 H new ATOM 0 HB3 HIS A 509 1.457 -12.628 4.793 1.00 0.00 H new ATOM 0 HD2 HIS A 509 2.790 -15.510 3.446 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -0.871 -17.102 4.879 1.00 0.00 H new ATOM 0 HE2 HIS A 509 1.479 -17.671 4.082 1.00 0.00 H new ATOM 849 N GLU A 510 -0.082 -10.478 4.937 1.00 0.00 N ATOM 850 CA GLU A 510 0.022 -9.079 5.337 1.00 0.00 C ATOM 851 C GLU A 510 1.469 -8.710 5.653 1.00 0.00 C ATOM 852 O GLU A 510 2.062 -9.228 6.600 1.00 0.00 O ATOM 853 CB GLU A 510 -0.863 -8.807 6.556 1.00 0.00 C ATOM 854 CG GLU A 510 -2.350 -8.844 6.249 1.00 0.00 C ATOM 855 CD GLU A 510 -3.186 -9.226 7.455 1.00 0.00 C ATOM 856 OE1 GLU A 510 -3.090 -8.531 8.488 1.00 0.00 O ATOM 857 OE2 GLU A 510 -3.936 -10.221 7.366 1.00 0.00 O ATOM 0 H GLU A 510 -0.212 -11.130 5.711 1.00 0.00 H new ATOM 0 HA GLU A 510 -0.319 -8.463 4.505 1.00 0.00 H new ATOM 0 HB2 GLU A 510 -0.641 -9.545 7.327 1.00 0.00 H new ATOM 0 HB3 GLU A 510 -0.610 -7.830 6.967 1.00 0.00 H new ATOM 0 HG2 GLU A 510 -2.667 -7.866 5.887 1.00 0.00 H new ATOM 0 HG3 GLU A 510 -2.533 -9.556 5.444 1.00 0.00 H new ATOM 864 N LEU A 511 2.031 -7.811 4.852 1.00 0.00 N ATOM 865 CA LEU A 511 3.409 -7.372 5.044 1.00 0.00 C ATOM 866 C LEU A 511 3.456 -6.028 5.765 1.00 0.00 C ATOM 867 O LEU A 511 2.678 -5.122 5.465 1.00 0.00 O ATOM 868 CB LEU A 511 4.123 -7.265 3.695 1.00 0.00 C ATOM 869 CG LEU A 511 4.102 -8.521 2.823 1.00 0.00 C ATOM 870 CD1 LEU A 511 4.718 -8.236 1.462 1.00 0.00 C ATOM 871 CD2 LEU A 511 4.834 -9.662 3.513 1.00 0.00 C ATOM 0 H LEU A 511 1.554 -7.372 4.064 1.00 0.00 H new ATOM 0 HA LEU A 511 3.919 -8.113 5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 511 3.672 -6.448 3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 511 5.162 -6.991 3.877 1.00 0.00 H new ATOM 0 HG LEU A 511 3.064 -8.819 2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 511 4.694 -9.141 0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 511 4.151 -7.450 0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 511 5.751 -7.912 1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 511 4.809 -10.547 2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 511 5.870 -9.374 3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 511 4.349 -9.884 4.464 1.00 0.00 H new ATOM 883 N LYS A 512 4.376 -5.905 6.716 1.00 0.00 N ATOM 884 CA LYS A 512 4.528 -4.672 7.479 1.00 0.00 C ATOM 885 C LYS A 512 5.815 -3.950 7.093 1.00 0.00 C ATOM 886 O LYS A 512 6.914 -4.414 7.396 1.00 0.00 O ATOM 887 CB LYS A 512 4.530 -4.973 8.979 1.00 0.00 C ATOM 888 CG LYS A 512 4.953 -3.792 9.836 1.00 0.00 C ATOM 889 CD LYS A 512 5.427 -4.240 11.208 1.00 0.00 C ATOM 890 CE LYS A 512 6.468 -3.288 11.776 1.00 0.00 C ATOM 891 NZ LYS A 512 7.108 -3.835 13.005 1.00 0.00 N ATOM 0 H LYS A 512 5.028 -6.645 6.977 1.00 0.00 H new ATOM 0 HA LYS A 512 3.684 -4.023 7.246 1.00 0.00 H new ATOM 0 HB2 LYS A 512 3.531 -5.289 9.279 1.00 0.00 H new ATOM 0 HB3 LYS A 512 5.201 -5.810 9.172 1.00 0.00 H new ATOM 0 HG2 LYS A 512 5.752 -3.245 9.335 1.00 0.00 H new ATOM 0 HG3 LYS A 512 4.116 -3.103 9.946 1.00 0.00 H new ATOM 0 HD2 LYS A 512 4.576 -4.298 11.887 1.00 0.00 H new ATOM 0 HD3 LYS A 512 5.849 -5.243 11.139 1.00 0.00 H new ATOM 0 HE2 LYS A 512 7.233 -3.095 11.024 1.00 0.00 H new ATOM 0 HE3 LYS A 512 5.998 -2.332 12.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 512 7.811 -3.157 13.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 512 6.382 -3.996 13.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 512 7.578 -4.735 12.780 1.00 0.00 H new ATOM 905 N VAL A 513 5.671 -2.810 6.423 1.00 0.00 N ATOM 906 CA VAL A 513 6.822 -2.023 5.998 1.00 0.00 C ATOM 907 C VAL A 513 6.599 -0.538 6.260 1.00 0.00 C ATOM 908 O VAL A 513 5.464 -0.058 6.249 1.00 0.00 O ATOM 909 CB VAL A 513 7.122 -2.229 4.502 1.00 0.00 C ATOM 910 CG1 VAL A 513 8.504 -1.696 4.156 1.00 0.00 C ATOM 911 CG2 VAL A 513 7.001 -3.700 4.133 1.00 0.00 C ATOM 0 H VAL A 513 4.769 -2.412 6.163 1.00 0.00 H new ATOM 0 HA VAL A 513 7.675 -2.369 6.583 1.00 0.00 H new ATOM 0 HB VAL A 513 6.388 -1.670 3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 513 8.698 -1.850 3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 513 8.550 -0.631 4.382 1.00 0.00 H new ATOM 0 HG13 VAL A 513 9.255 -2.224 4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 513 7.216 -3.828 3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 513 7.711 -4.282 4.720 1.00 0.00 H new ATOM 0 HG23 VAL A 513 5.989 -4.045 4.342 1.00 0.00 H new ATOM 921 N LEU A 514 7.687 0.186 6.496 1.00 0.00 N ATOM 922 CA LEU A 514 7.611 1.619 6.760 1.00 0.00 C ATOM 923 C LEU A 514 7.238 2.387 5.496 1.00 0.00 C ATOM 924 O LEU A 514 7.484 1.942 4.375 1.00 0.00 O ATOM 925 CB LEU A 514 8.946 2.129 7.306 1.00 0.00 C ATOM 926 CG LEU A 514 9.329 1.643 8.704 1.00 0.00 C ATOM 927 CD1 LEU A 514 10.730 2.112 9.067 1.00 0.00 C ATOM 928 CD2 LEU A 514 8.319 2.130 9.733 1.00 0.00 C ATOM 0 H LEU A 514 8.633 -0.195 6.510 1.00 0.00 H new ATOM 0 HA LEU A 514 6.834 1.785 7.506 1.00 0.00 H new ATOM 0 HB2 LEU A 514 9.735 1.837 6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 514 8.919 3.219 7.317 1.00 0.00 H new ATOM 0 HG LEU A 514 9.321 0.553 8.704 1.00 0.00 H new ATOM 0 HD11 LEU A 514 10.985 1.757 10.065 1.00 0.00 H new ATOM 0 HD12 LEU A 514 11.445 1.715 8.346 1.00 0.00 H new ATOM 0 HD13 LEU A 514 10.765 3.201 9.050 1.00 0.00 H new ATOM 0 HD21 LEU A 514 8.607 1.775 10.722 1.00 0.00 H new ATOM 0 HD22 LEU A 514 8.295 3.220 9.732 1.00 0.00 H new ATOM 0 HD23 LEU A 514 7.330 1.745 9.483 1.00 0.00 H new ATOM 940 N PRO A 515 6.633 3.570 5.679 1.00 0.00 N ATOM 941 CA PRO A 515 6.217 4.427 4.565 1.00 0.00 C ATOM 942 C PRO A 515 7.404 5.037 3.827 1.00 0.00 C ATOM 943 O PRO A 515 7.232 5.751 2.839 1.00 0.00 O ATOM 944 CB PRO A 515 5.392 5.520 5.247 1.00 0.00 C ATOM 945 CG PRO A 515 5.911 5.571 6.643 1.00 0.00 C ATOM 946 CD PRO A 515 6.310 4.163 6.988 1.00 0.00 C ATOM 0 HA PRO A 515 5.667 3.870 3.806 1.00 0.00 H new ATOM 0 HB2 PRO A 515 5.513 6.479 4.744 1.00 0.00 H new ATOM 0 HB3 PRO A 515 4.328 5.283 5.229 1.00 0.00 H new ATOM 0 HG2 PRO A 515 6.762 6.247 6.718 1.00 0.00 H new ATOM 0 HG3 PRO A 515 5.149 5.940 7.329 1.00 0.00 H new ATOM 0 HD2 PRO A 515 7.167 4.142 7.661 1.00 0.00 H new ATOM 0 HD3 PRO A 515 5.501 3.626 7.484 1.00 0.00 H new ATOM 954 N ARG A 516 8.607 4.751 4.314 1.00 0.00 N ATOM 955 CA ARG A 516 9.823 5.273 3.701 1.00 0.00 C ATOM 956 C ARG A 516 10.418 4.261 2.726 1.00 0.00 C ATOM 957 O ARG A 516 11.343 4.575 1.977 1.00 0.00 O ATOM 958 CB ARG A 516 10.851 5.626 4.777 1.00 0.00 C ATOM 959 CG ARG A 516 11.571 4.418 5.351 1.00 0.00 C ATOM 960 CD ARG A 516 12.505 4.812 6.485 1.00 0.00 C ATOM 961 NE ARG A 516 13.844 5.140 6.003 1.00 0.00 N ATOM 962 CZ ARG A 516 14.738 5.812 6.719 1.00 0.00 C ATOM 963 NH1 ARG A 516 14.439 6.224 7.943 1.00 0.00 N ATOM 964 NH2 ARG A 516 15.936 6.072 6.211 1.00 0.00 N ATOM 0 H ARG A 516 8.766 4.161 5.131 1.00 0.00 H new ATOM 0 HA ARG A 516 9.562 6.175 3.147 1.00 0.00 H new ATOM 0 HB2 ARG A 516 11.587 6.310 4.354 1.00 0.00 H new ATOM 0 HB3 ARG A 516 10.350 6.158 5.586 1.00 0.00 H new ATOM 0 HG2 ARG A 516 10.840 3.696 5.715 1.00 0.00 H new ATOM 0 HG3 ARG A 516 12.141 3.925 4.564 1.00 0.00 H new ATOM 0 HD2 ARG A 516 12.090 5.670 7.015 1.00 0.00 H new ATOM 0 HD3 ARG A 516 12.568 3.994 7.203 1.00 0.00 H new ATOM 0 HE ARG A 516 14.107 4.836 5.065 1.00 0.00 H new ATOM 0 HH11 ARG A 516 13.520 6.025 8.338 1.00 0.00 H new ATOM 0 HH12 ARG A 516 15.128 6.740 8.490 1.00 0.00 H new ATOM 0 HH21 ARG A 516 16.171 5.756 5.270 1.00 0.00 H new ATOM 0 HH22 ARG A 516 16.622 6.588 6.761 1.00 0.00 H new ATOM 978 N ASP A 517 9.882 3.045 2.743 1.00 0.00 N ATOM 979 CA ASP A 517 10.359 1.987 1.861 1.00 0.00 C ATOM 980 C ASP A 517 9.232 1.471 0.972 1.00 0.00 C ATOM 981 O ASP A 517 9.136 0.272 0.706 1.00 0.00 O ATOM 982 CB ASP A 517 10.946 0.836 2.681 1.00 0.00 C ATOM 983 CG ASP A 517 11.878 1.321 3.774 1.00 0.00 C ATOM 984 OD1 ASP A 517 11.389 1.608 4.887 1.00 0.00 O ATOM 985 OD2 ASP A 517 13.096 1.412 3.517 1.00 0.00 O ATOM 0 H ASP A 517 9.117 2.768 3.358 1.00 0.00 H new ATOM 0 HA ASP A 517 11.139 2.404 1.223 1.00 0.00 H new ATOM 0 HB2 ASP A 517 10.135 0.261 3.128 1.00 0.00 H new ATOM 0 HB3 ASP A 517 11.488 0.161 2.018 1.00 0.00 H new ATOM 990 N LEU A 518 8.381 2.384 0.515 1.00 0.00 N ATOM 991 CA LEU A 518 7.259 2.022 -0.344 1.00 0.00 C ATOM 992 C LEU A 518 7.009 3.098 -1.396 1.00 0.00 C ATOM 993 O LEU A 518 7.361 4.261 -1.202 1.00 0.00 O ATOM 994 CB LEU A 518 5.998 1.808 0.494 1.00 0.00 C ATOM 995 CG LEU A 518 6.098 0.761 1.604 1.00 0.00 C ATOM 996 CD1 LEU A 518 4.834 0.755 2.448 1.00 0.00 C ATOM 997 CD2 LEU A 518 6.354 -0.618 1.014 1.00 0.00 C ATOM 0 H LEU A 518 8.447 3.380 0.725 1.00 0.00 H new ATOM 0 HA LEU A 518 7.510 1.092 -0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 518 5.720 2.761 0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 518 5.186 1.523 -0.175 1.00 0.00 H new ATOM 0 HG LEU A 518 6.938 1.021 2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 518 4.924 0.004 3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 518 4.694 1.737 2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 518 3.977 0.520 1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 518 6.422 -1.351 1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 518 5.535 -0.886 0.347 1.00 0.00 H new ATOM 0 HD23 LEU A 518 7.289 -0.606 0.454 1.00 0.00 H new ATOM 1009 N GLN A 519 6.398 2.701 -2.507 1.00 0.00 N ATOM 1010 CA GLN A 519 6.100 3.633 -3.588 1.00 0.00 C ATOM 1011 C GLN A 519 4.727 3.349 -4.189 1.00 0.00 C ATOM 1012 O GLN A 519 4.395 2.202 -4.491 1.00 0.00 O ATOM 1013 CB GLN A 519 7.173 3.547 -4.675 1.00 0.00 C ATOM 1014 CG GLN A 519 7.272 2.176 -5.324 1.00 0.00 C ATOM 1015 CD GLN A 519 8.156 2.176 -6.556 1.00 0.00 C ATOM 1016 OE1 GLN A 519 9.261 2.719 -6.541 1.00 0.00 O ATOM 1017 NE2 GLN A 519 7.673 1.565 -7.631 1.00 0.00 N ATOM 0 H GLN A 519 6.100 1.741 -2.682 1.00 0.00 H new ATOM 0 HA GLN A 519 6.093 4.641 -3.173 1.00 0.00 H new ATOM 0 HB2 GLN A 519 6.960 4.289 -5.444 1.00 0.00 H new ATOM 0 HB3 GLN A 519 8.139 3.805 -4.242 1.00 0.00 H new ATOM 0 HG2 GLN A 519 7.665 1.463 -4.599 1.00 0.00 H new ATOM 0 HG3 GLN A 519 6.274 1.835 -5.598 1.00 0.00 H new ATOM 0 HE21 GLN A 519 6.752 1.128 -7.599 1.00 0.00 H new ATOM 0 HE22 GLN A 519 8.223 1.532 -8.489 1.00 0.00 H new ATOM 1026 N LEU A 520 3.932 4.399 -4.358 1.00 0.00 N ATOM 1027 CA LEU A 520 2.593 4.263 -4.922 1.00 0.00 C ATOM 1028 C LEU A 520 2.658 3.766 -6.363 1.00 0.00 C ATOM 1029 O LEU A 520 3.602 4.070 -7.093 1.00 0.00 O ATOM 1030 CB LEU A 520 1.855 5.601 -4.865 1.00 0.00 C ATOM 1031 CG LEU A 520 1.040 5.864 -3.598 1.00 0.00 C ATOM 1032 CD1 LEU A 520 0.382 7.234 -3.662 1.00 0.00 C ATOM 1033 CD2 LEU A 520 -0.006 4.777 -3.402 1.00 0.00 C ATOM 0 H LEU A 520 4.191 5.355 -4.113 1.00 0.00 H new ATOM 0 HA LEU A 520 2.048 3.530 -4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 520 2.586 6.402 -4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 520 1.185 5.661 -5.723 1.00 0.00 H new ATOM 0 HG LEU A 520 1.717 5.848 -2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 520 -0.194 7.404 -2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 520 1.150 8.002 -3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 520 -0.282 7.279 -4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 520 -0.577 4.980 -2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 520 -0.679 4.761 -4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 520 0.487 3.809 -3.311 1.00 0.00 H new