USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 462 SER OG : rot 53:sc= 0.196 USER MOD Single : A 463 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 ASN : amide:sc= -0.558 X(o=-0.56,f=-0.23) USER MOD Single : A 472 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.62) USER MOD Single : A 474 ASN : amide:sc= 0.0383 K(o=0.038,f=-4.5!) USER MOD Single : A 475 GLN : amide:sc= -2.75 K(o=-2.7,f=-6.4!) USER MOD Single : A 483 SER OG : rot 180:sc= 0 USER MOD Single : A 484 THR OG1 : rot 180:sc= 0 USER MOD Single : A 489 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 490 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 THR OG1 : rot 180:sc= 0 USER MOD Single : A 514 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 515 GLN : amide:sc= -0.099 K(o=-0.099,f=-1.7!) USER MOD Single : A 518 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00258) USER MOD Single : A 519 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 522 ASN : amide:sc= -0.162 K(o=-0.16,f=-2!) USER MOD Single : A 525 CYS SG : rot 170:sc= -2.6 USER MOD Single : A 526 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 527 SER OG : rot 180:sc= 0 USER MOD Single : A 528 THR OG1 : rot 62:sc= 0.774 USER MOD Single : A 529 HIS : no HD1:sc= -0.188 K(o=-0.19,f=-2.4!) USER MOD Single : A 531 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N SER A 462 5.426 0.932 -7.447 1.00 0.00 N ATOM 203 CA SER A 462 5.633 0.273 -6.163 1.00 0.00 C ATOM 204 C SER A 462 4.749 0.892 -5.085 1.00 0.00 C ATOM 205 O SER A 462 5.172 1.792 -4.359 1.00 0.00 O ATOM 206 CB SER A 462 7.103 0.367 -5.749 1.00 0.00 C ATOM 207 OG SER A 462 7.585 1.693 -5.877 1.00 0.00 O ATOM 0 HA SER A 462 5.360 -0.776 -6.273 1.00 0.00 H new ATOM 0 HB2 SER A 462 7.215 0.034 -4.717 1.00 0.00 H new ATOM 0 HB3 SER A 462 7.702 -0.302 -6.367 1.00 0.00 H new ATOM 0 HG SER A 462 6.993 2.305 -5.391 1.00 0.00 H new ATOM 213 N LYS A 463 3.517 0.403 -4.987 1.00 0.00 N ATOM 214 CA LYS A 463 2.571 0.906 -3.998 1.00 0.00 C ATOM 215 C LYS A 463 1.650 -0.209 -3.510 1.00 0.00 C ATOM 216 O LYS A 463 0.930 -0.821 -4.300 1.00 0.00 O ATOM 217 CB LYS A 463 1.740 2.046 -4.590 1.00 0.00 C ATOM 218 CG LYS A 463 2.490 3.364 -4.677 1.00 0.00 C ATOM 219 CD LYS A 463 1.540 4.535 -4.865 1.00 0.00 C ATOM 220 CE LYS A 463 1.064 4.641 -6.306 1.00 0.00 C ATOM 221 NZ LYS A 463 1.981 5.472 -7.133 1.00 0.00 N ATOM 0 H LYS A 463 3.151 -0.341 -5.581 1.00 0.00 H new ATOM 0 HA LYS A 463 3.139 1.283 -3.147 1.00 0.00 H new ATOM 0 HB2 LYS A 463 1.406 1.761 -5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 463 0.846 2.186 -3.983 1.00 0.00 H new ATOM 0 HG2 LYS A 463 3.075 3.511 -3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 463 3.194 3.329 -5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 463 0.681 4.417 -4.205 1.00 0.00 H new ATOM 0 HD3 LYS A 463 2.039 5.460 -4.577 1.00 0.00 H new ATOM 0 HE2 LYS A 463 0.989 3.643 -6.738 1.00 0.00 H new ATOM 0 HE3 LYS A 463 0.064 5.073 -6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 1.622 5.520 -8.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 2.033 6.432 -6.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 2.930 5.046 -7.134 1.00 0.00 H new ATOM 235 N ILE A 464 1.678 -0.465 -2.207 1.00 0.00 N ATOM 236 CA ILE A 464 0.843 -1.503 -1.615 1.00 0.00 C ATOM 237 C ILE A 464 -0.341 -0.898 -0.869 1.00 0.00 C ATOM 238 O ILE A 464 -0.178 -0.295 0.192 1.00 0.00 O ATOM 239 CB ILE A 464 1.649 -2.388 -0.646 1.00 0.00 C ATOM 240 CG1 ILE A 464 2.777 -3.104 -1.392 1.00 0.00 C ATOM 241 CG2 ILE A 464 0.735 -3.395 0.036 1.00 0.00 C ATOM 242 CD1 ILE A 464 3.827 -3.693 -0.477 1.00 0.00 C ATOM 0 H ILE A 464 2.270 0.032 -1.541 1.00 0.00 H new ATOM 0 HA ILE A 464 0.475 -2.119 -2.436 1.00 0.00 H new ATOM 0 HB ILE A 464 2.092 -1.752 0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 464 2.350 -3.900 -2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 464 3.254 -2.401 -2.074 1.00 0.00 H new ATOM 0 HG21 ILE A 464 1.319 -4.013 0.718 1.00 0.00 H new ATOM 0 HG22 ILE A 464 -0.036 -2.866 0.596 1.00 0.00 H new ATOM 0 HG23 ILE A 464 0.266 -4.029 -0.717 1.00 0.00 H new ATOM 0 HD11 ILE A 464 4.595 -4.185 -1.074 1.00 0.00 H new ATOM 0 HD12 ILE A 464 4.281 -2.898 0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 464 3.363 -4.421 0.188 1.00 0.00 H new ATOM 254 N LEU A 465 -1.534 -1.065 -1.430 1.00 0.00 N ATOM 255 CA LEU A 465 -2.748 -0.537 -0.817 1.00 0.00 C ATOM 256 C LEU A 465 -3.501 -1.633 -0.070 1.00 0.00 C ATOM 257 O LEU A 465 -4.242 -2.412 -0.670 1.00 0.00 O ATOM 258 CB LEU A 465 -3.652 0.084 -1.882 1.00 0.00 C ATOM 259 CG LEU A 465 -5.115 0.288 -1.486 1.00 0.00 C ATOM 260 CD1 LEU A 465 -5.239 1.405 -0.461 1.00 0.00 C ATOM 261 CD2 LEU A 465 -5.963 0.590 -2.712 1.00 0.00 C ATOM 0 H LEU A 465 -1.686 -1.562 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 465 -2.459 0.233 -0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 465 -3.235 1.051 -2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 465 -3.622 -0.548 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 465 -5.481 -0.634 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 465 -6.287 1.536 -0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 465 -4.664 1.148 0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 465 -4.855 2.333 -0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 465 -7.001 0.732 -2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 465 -5.597 1.497 -3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 465 -5.899 -0.243 -3.412 1.00 0.00 H new ATOM 273 N VAL A 466 -3.309 -1.686 1.245 1.00 0.00 N ATOM 274 CA VAL A 466 -3.973 -2.683 2.075 1.00 0.00 C ATOM 275 C VAL A 466 -5.377 -2.231 2.461 1.00 0.00 C ATOM 276 O VAL A 466 -5.545 -1.301 3.250 1.00 0.00 O ATOM 277 CB VAL A 466 -3.168 -2.973 3.356 1.00 0.00 C ATOM 278 CG1 VAL A 466 -2.879 -1.683 4.108 1.00 0.00 C ATOM 279 CG2 VAL A 466 -3.914 -3.961 4.241 1.00 0.00 C ATOM 0 H VAL A 466 -2.699 -1.050 1.758 1.00 0.00 H new ATOM 0 HA VAL A 466 -4.039 -3.595 1.482 1.00 0.00 H new ATOM 0 HB VAL A 466 -2.216 -3.421 3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -2.310 -1.907 5.010 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -2.301 -1.013 3.472 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -3.819 -1.203 4.382 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -3.331 -4.155 5.142 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -4.882 -3.543 4.518 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -4.064 -4.894 3.698 1.00 0.00 H new ATOM 289 N ARG A 467 -6.382 -2.895 1.900 1.00 0.00 N ATOM 290 CA ARG A 467 -7.772 -2.561 2.185 1.00 0.00 C ATOM 291 C ARG A 467 -8.373 -3.544 3.186 1.00 0.00 C ATOM 292 O ARG A 467 -7.816 -4.613 3.432 1.00 0.00 O ATOM 293 CB ARG A 467 -8.594 -2.563 0.895 1.00 0.00 C ATOM 294 CG ARG A 467 -9.789 -1.624 0.933 1.00 0.00 C ATOM 295 CD ARG A 467 -10.453 -1.512 -0.430 1.00 0.00 C ATOM 296 NE ARG A 467 -11.457 -2.551 -0.637 1.00 0.00 N ATOM 297 CZ ARG A 467 -11.171 -3.776 -1.065 1.00 0.00 C ATOM 298 NH1 ARG A 467 -9.916 -4.112 -1.330 1.00 0.00 N ATOM 299 NH2 ARG A 467 -12.141 -4.667 -1.228 1.00 0.00 N ATOM 0 H ARG A 467 -6.260 -3.668 1.245 1.00 0.00 H new ATOM 0 HA ARG A 467 -7.798 -1.563 2.622 1.00 0.00 H new ATOM 0 HB2 ARG A 467 -7.949 -2.283 0.062 1.00 0.00 H new ATOM 0 HB3 ARG A 467 -8.945 -3.576 0.699 1.00 0.00 H new ATOM 0 HG2 ARG A 467 -10.513 -1.985 1.663 1.00 0.00 H new ATOM 0 HG3 ARG A 467 -9.467 -0.637 1.264 1.00 0.00 H new ATOM 0 HD2 ARG A 467 -10.921 -0.532 -0.526 1.00 0.00 H new ATOM 0 HD3 ARG A 467 -9.694 -1.581 -1.210 1.00 0.00 H new ATOM 0 HE ARG A 467 -12.432 -2.324 -0.442 1.00 0.00 H new ATOM 0 HH11 ARG A 467 -9.168 -3.430 -1.205 1.00 0.00 H new ATOM 0 HH12 ARG A 467 -9.698 -5.053 -1.658 1.00 0.00 H new ATOM 0 HH21 ARG A 467 -13.107 -4.412 -1.025 1.00 0.00 H new ATOM 0 HH22 ARG A 467 -11.920 -5.607 -1.557 1.00 0.00 H new ATOM 313 N ASN A 468 -9.513 -3.174 3.759 1.00 0.00 N ATOM 314 CA ASN A 468 -10.190 -4.022 4.734 1.00 0.00 C ATOM 315 C ASN A 468 -9.420 -4.059 6.050 1.00 0.00 C ATOM 316 O ASN A 468 -9.260 -5.118 6.658 1.00 0.00 O ATOM 317 CB ASN A 468 -10.349 -5.441 4.183 1.00 0.00 C ATOM 318 CG ASN A 468 -11.347 -6.261 4.977 1.00 0.00 C ATOM 319 OD1 ASN A 468 -12.558 -6.072 4.855 1.00 0.00 O ATOM 320 ND2 ASN A 468 -10.843 -7.177 5.795 1.00 0.00 N ATOM 0 H ASN A 468 -9.988 -2.292 3.565 1.00 0.00 H new ATOM 0 HA ASN A 468 -11.177 -3.600 4.923 1.00 0.00 H new ATOM 0 HB2 ASN A 468 -10.671 -5.390 3.143 1.00 0.00 H new ATOM 0 HB3 ASN A 468 -9.381 -5.942 4.193 1.00 0.00 H new ATOM 0 HD21 ASN A 468 -11.466 -7.759 6.355 1.00 0.00 H new ATOM 0 HD22 ASN A 468 -9.833 -7.299 5.864 1.00 0.00 H new ATOM 327 N ILE A 469 -8.945 -2.897 6.485 1.00 0.00 N ATOM 328 CA ILE A 469 -8.193 -2.796 7.729 1.00 0.00 C ATOM 329 C ILE A 469 -9.128 -2.684 8.929 1.00 0.00 C ATOM 330 O ILE A 469 -10.092 -1.918 8.926 1.00 0.00 O ATOM 331 CB ILE A 469 -7.243 -1.584 7.717 1.00 0.00 C ATOM 332 CG1 ILE A 469 -6.217 -1.723 6.591 1.00 0.00 C ATOM 333 CG2 ILE A 469 -6.547 -1.443 9.062 1.00 0.00 C ATOM 334 CD1 ILE A 469 -5.473 -0.441 6.289 1.00 0.00 C ATOM 0 H ILE A 469 -9.068 -2.012 5.994 1.00 0.00 H new ATOM 0 HA ILE A 469 -7.603 -3.708 7.815 1.00 0.00 H new ATOM 0 HB ILE A 469 -7.830 -0.683 7.538 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -5.497 -2.496 6.860 1.00 0.00 H new ATOM 0 HG13 ILE A 469 -6.725 -2.060 5.687 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -5.879 -0.582 9.038 1.00 0.00 H new ATOM 0 HG22 ILE A 469 -7.293 -1.302 9.844 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -5.970 -2.344 9.269 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -4.763 -0.614 5.481 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -6.183 0.330 5.989 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -4.937 -0.113 7.179 1.00 0.00 H new ATOM 346 N PRO A 470 -8.838 -3.464 9.981 1.00 0.00 N ATOM 347 CA PRO A 470 -9.639 -3.468 11.208 1.00 0.00 C ATOM 348 C PRO A 470 -9.491 -2.174 12.002 1.00 0.00 C ATOM 349 O PRO A 470 -8.530 -1.428 11.817 1.00 0.00 O ATOM 350 CB PRO A 470 -9.070 -4.649 11.999 1.00 0.00 C ATOM 351 CG PRO A 470 -7.674 -4.799 11.503 1.00 0.00 C ATOM 352 CD PRO A 470 -7.704 -4.401 10.053 1.00 0.00 C ATOM 0 HA PRO A 470 -10.705 -3.552 10.998 1.00 0.00 H new ATOM 0 HB2 PRO A 470 -9.090 -4.454 13.071 1.00 0.00 H new ATOM 0 HB3 PRO A 470 -9.650 -5.556 11.829 1.00 0.00 H new ATOM 0 HG2 PRO A 470 -6.989 -4.166 12.067 1.00 0.00 H new ATOM 0 HG3 PRO A 470 -7.327 -5.826 11.619 1.00 0.00 H new ATOM 0 HD2 PRO A 470 -6.771 -3.928 9.747 1.00 0.00 H new ATOM 0 HD3 PRO A 470 -7.853 -5.263 9.402 1.00 0.00 H new ATOM 360 N PHE A 471 -10.449 -1.915 12.885 1.00 0.00 N ATOM 361 CA PHE A 471 -10.425 -0.711 13.707 1.00 0.00 C ATOM 362 C PHE A 471 -9.108 -0.597 14.468 1.00 0.00 C ATOM 363 O PHE A 471 -8.445 0.439 14.430 1.00 0.00 O ATOM 364 CB PHE A 471 -11.597 -0.716 14.691 1.00 0.00 C ATOM 365 CG PHE A 471 -12.939 -0.601 14.026 1.00 0.00 C ATOM 366 CD1 PHE A 471 -13.556 -1.716 13.484 1.00 0.00 C ATOM 367 CD2 PHE A 471 -13.583 0.623 13.944 1.00 0.00 C ATOM 368 CE1 PHE A 471 -14.790 -1.613 12.871 1.00 0.00 C ATOM 369 CE2 PHE A 471 -14.818 0.733 13.333 1.00 0.00 C ATOM 370 CZ PHE A 471 -15.423 -0.387 12.796 1.00 0.00 C ATOM 0 H PHE A 471 -11.252 -2.522 13.050 1.00 0.00 H new ATOM 0 HA PHE A 471 -10.518 0.151 13.046 1.00 0.00 H new ATOM 0 HB2 PHE A 471 -11.567 -1.636 15.274 1.00 0.00 H new ATOM 0 HB3 PHE A 471 -11.476 0.110 15.392 1.00 0.00 H new ATOM 0 HD1 PHE A 471 -13.067 -2.677 13.541 1.00 0.00 H new ATOM 0 HD2 PHE A 471 -13.115 1.502 14.362 1.00 0.00 H new ATOM 0 HE1 PHE A 471 -15.259 -2.490 12.451 1.00 0.00 H new ATOM 0 HE2 PHE A 471 -15.309 1.693 13.275 1.00 0.00 H new ATOM 0 HZ PHE A 471 -16.388 -0.304 12.319 1.00 0.00 H new ATOM 380 N GLN A 472 -8.736 -1.671 15.159 1.00 0.00 N ATOM 381 CA GLN A 472 -7.499 -1.691 15.930 1.00 0.00 C ATOM 382 C GLN A 472 -6.306 -1.319 15.055 1.00 0.00 C ATOM 383 O GLN A 472 -5.499 -0.465 15.420 1.00 0.00 O ATOM 384 CB GLN A 472 -7.282 -3.073 16.548 1.00 0.00 C ATOM 385 CG GLN A 472 -8.197 -3.363 17.727 1.00 0.00 C ATOM 386 CD GLN A 472 -8.184 -2.255 18.762 1.00 0.00 C ATOM 387 OE1 GLN A 472 -7.130 -1.713 19.095 1.00 0.00 O ATOM 388 NE2 GLN A 472 -9.359 -1.912 19.276 1.00 0.00 N ATOM 0 H GLN A 472 -9.273 -2.537 15.200 1.00 0.00 H new ATOM 0 HA GLN A 472 -7.585 -0.953 16.728 1.00 0.00 H new ATOM 0 HB2 GLN A 472 -7.438 -3.833 15.782 1.00 0.00 H new ATOM 0 HB3 GLN A 472 -6.245 -3.157 16.874 1.00 0.00 H new ATOM 0 HG2 GLN A 472 -9.215 -3.505 17.365 1.00 0.00 H new ATOM 0 HG3 GLN A 472 -7.892 -4.298 18.197 1.00 0.00 H new ATOM 0 HE21 GLN A 472 -10.208 -2.388 18.971 1.00 0.00 H new ATOM 0 HE22 GLN A 472 -9.413 -1.172 19.976 1.00 0.00 H new ATOM 397 N ALA A 473 -6.201 -1.967 13.900 1.00 0.00 N ATOM 398 CA ALA A 473 -5.108 -1.703 12.972 1.00 0.00 C ATOM 399 C ALA A 473 -4.961 -0.209 12.708 1.00 0.00 C ATOM 400 O ALA A 473 -5.784 0.393 12.019 1.00 0.00 O ATOM 401 CB ALA A 473 -5.330 -2.453 11.667 1.00 0.00 C ATOM 0 H ALA A 473 -6.860 -2.679 13.584 1.00 0.00 H new ATOM 0 HA ALA A 473 -4.184 -2.057 13.428 1.00 0.00 H new ATOM 0 HB1 ALA A 473 -4.506 -2.246 10.984 1.00 0.00 H new ATOM 0 HB2 ALA A 473 -5.376 -3.524 11.866 1.00 0.00 H new ATOM 0 HB3 ALA A 473 -6.267 -2.127 11.215 1.00 0.00 H new ATOM 407 N ASN A 474 -3.908 0.385 13.260 1.00 0.00 N ATOM 408 CA ASN A 474 -3.655 1.810 13.084 1.00 0.00 C ATOM 409 C ASN A 474 -2.358 2.042 12.315 1.00 0.00 C ATOM 410 O ASN A 474 -1.691 1.092 11.905 1.00 0.00 O ATOM 411 CB ASN A 474 -3.586 2.509 14.444 1.00 0.00 C ATOM 412 CG ASN A 474 -2.650 1.806 15.408 1.00 0.00 C ATOM 413 OD1 ASN A 474 -1.517 1.475 15.060 1.00 0.00 O ATOM 414 ND2 ASN A 474 -3.122 1.576 16.628 1.00 0.00 N ATOM 0 H ASN A 474 -3.216 -0.099 13.833 1.00 0.00 H new ATOM 0 HA ASN A 474 -4.479 2.231 12.507 1.00 0.00 H new ATOM 0 HB2 ASN A 474 -3.254 3.538 14.304 1.00 0.00 H new ATOM 0 HB3 ASN A 474 -4.585 2.553 14.878 1.00 0.00 H new ATOM 0 HD21 ASN A 474 -2.538 1.107 17.321 1.00 0.00 H new ATOM 0 HD22 ASN A 474 -4.068 1.868 16.872 1.00 0.00 H new ATOM 421 N GLN A 475 -2.007 3.310 12.125 1.00 0.00 N ATOM 422 CA GLN A 475 -0.790 3.665 11.405 1.00 0.00 C ATOM 423 C GLN A 475 0.355 2.727 11.775 1.00 0.00 C ATOM 424 O GLN A 475 0.825 1.949 10.944 1.00 0.00 O ATOM 425 CB GLN A 475 -0.397 5.112 11.709 1.00 0.00 C ATOM 426 CG GLN A 475 0.827 5.584 10.940 1.00 0.00 C ATOM 427 CD GLN A 475 0.471 6.222 9.612 1.00 0.00 C ATOM 428 OE1 GLN A 475 -0.704 6.404 9.292 1.00 0.00 O ATOM 429 NE2 GLN A 475 1.488 6.565 8.829 1.00 0.00 N ATOM 0 H GLN A 475 -2.548 4.108 12.459 1.00 0.00 H new ATOM 0 HA GLN A 475 -0.987 3.565 10.338 1.00 0.00 H new ATOM 0 HB2 GLN A 475 -1.238 5.765 11.474 1.00 0.00 H new ATOM 0 HB3 GLN A 475 -0.205 5.211 12.777 1.00 0.00 H new ATOM 0 HG2 GLN A 475 1.379 6.302 11.547 1.00 0.00 H new ATOM 0 HG3 GLN A 475 1.491 4.737 10.766 1.00 0.00 H new ATOM 0 HE21 GLN A 475 2.446 6.396 9.134 1.00 0.00 H new ATOM 0 HE22 GLN A 475 1.310 6.998 7.923 1.00 0.00 H new ATOM 438 N ARG A 476 0.799 2.806 13.025 1.00 0.00 N ATOM 439 CA ARG A 476 1.889 1.965 13.503 1.00 0.00 C ATOM 440 C ARG A 476 1.703 0.521 13.047 1.00 0.00 C ATOM 441 O ARG A 476 2.532 -0.021 12.317 1.00 0.00 O ATOM 442 CB ARG A 476 1.974 2.022 15.030 1.00 0.00 C ATOM 443 CG ARG A 476 3.152 1.252 15.604 1.00 0.00 C ATOM 444 CD ARG A 476 2.966 0.975 17.087 1.00 0.00 C ATOM 445 NE ARG A 476 3.511 2.046 17.917 1.00 0.00 N ATOM 446 CZ ARG A 476 2.856 3.168 18.191 1.00 0.00 C ATOM 447 NH1 ARG A 476 1.638 3.365 17.705 1.00 0.00 N ATOM 448 NH2 ARG A 476 3.418 4.097 18.954 1.00 0.00 N ATOM 0 H ARG A 476 0.420 3.444 13.725 1.00 0.00 H new ATOM 0 HA ARG A 476 2.819 2.344 13.079 1.00 0.00 H new ATOM 0 HB2 ARG A 476 2.045 3.064 15.343 1.00 0.00 H new ATOM 0 HB3 ARG A 476 1.051 1.625 15.452 1.00 0.00 H new ATOM 0 HG2 ARG A 476 3.268 0.310 15.068 1.00 0.00 H new ATOM 0 HG3 ARG A 476 4.069 1.821 15.451 1.00 0.00 H new ATOM 0 HD2 ARG A 476 1.904 0.854 17.303 1.00 0.00 H new ATOM 0 HD3 ARG A 476 3.453 0.034 17.344 1.00 0.00 H new ATOM 0 HE ARG A 476 4.446 1.926 18.307 1.00 0.00 H new ATOM 0 HH11 ARG A 476 1.202 2.653 17.119 1.00 0.00 H new ATOM 0 HH12 ARG A 476 1.138 4.228 17.917 1.00 0.00 H new ATOM 0 HH21 ARG A 476 4.354 3.950 19.331 1.00 0.00 H new ATOM 0 HH22 ARG A 476 2.914 4.958 19.164 1.00 0.00 H new ATOM 462 N GLU A 477 0.608 -0.095 13.482 1.00 0.00 N ATOM 463 CA GLU A 477 0.314 -1.476 13.119 1.00 0.00 C ATOM 464 C GLU A 477 0.793 -1.780 11.702 1.00 0.00 C ATOM 465 O GLU A 477 1.547 -2.728 11.480 1.00 0.00 O ATOM 466 CB GLU A 477 -1.187 -1.748 13.231 1.00 0.00 C ATOM 467 CG GLU A 477 -1.625 -2.182 14.620 1.00 0.00 C ATOM 468 CD GLU A 477 -0.717 -3.242 15.214 1.00 0.00 C ATOM 469 OE1 GLU A 477 -0.640 -4.348 14.639 1.00 0.00 O ATOM 470 OE2 GLU A 477 -0.083 -2.964 16.253 1.00 0.00 O ATOM 0 H GLU A 477 -0.089 0.340 14.086 1.00 0.00 H new ATOM 0 HA GLU A 477 0.846 -2.128 13.812 1.00 0.00 H new ATOM 0 HB2 GLU A 477 -1.733 -0.847 12.952 1.00 0.00 H new ATOM 0 HB3 GLU A 477 -1.462 -2.522 12.514 1.00 0.00 H new ATOM 0 HG2 GLU A 477 -1.643 -1.314 15.279 1.00 0.00 H new ATOM 0 HG3 GLU A 477 -2.644 -2.567 14.572 1.00 0.00 H new ATOM 477 N ILE A 478 0.348 -0.969 10.748 1.00 0.00 N ATOM 478 CA ILE A 478 0.731 -1.150 9.353 1.00 0.00 C ATOM 479 C ILE A 478 2.232 -0.956 9.165 1.00 0.00 C ATOM 480 O ILE A 478 2.917 -1.823 8.624 1.00 0.00 O ATOM 481 CB ILE A 478 -0.022 -0.173 8.431 1.00 0.00 C ATOM 482 CG1 ILE A 478 -1.533 -0.316 8.625 1.00 0.00 C ATOM 483 CG2 ILE A 478 0.357 -0.417 6.978 1.00 0.00 C ATOM 484 CD1 ILE A 478 -2.151 -1.404 7.775 1.00 0.00 C ATOM 0 H ILE A 478 -0.278 -0.181 10.915 1.00 0.00 H new ATOM 0 HA ILE A 478 0.463 -2.171 9.082 1.00 0.00 H new ATOM 0 HB ILE A 478 0.264 0.845 8.694 1.00 0.00 H new ATOM 0 HG12 ILE A 478 -1.738 -0.526 9.675 1.00 0.00 H new ATOM 0 HG13 ILE A 478 -2.013 0.634 8.390 1.00 0.00 H new ATOM 0 HG21 ILE A 478 -0.183 0.281 6.339 1.00 0.00 H new ATOM 0 HG22 ILE A 478 1.429 -0.269 6.852 1.00 0.00 H new ATOM 0 HG23 ILE A 478 0.097 -1.439 6.701 1.00 0.00 H new ATOM 0 HD11 ILE A 478 -3.224 -1.448 7.964 1.00 0.00 H new ATOM 0 HD12 ILE A 478 -1.977 -1.185 6.721 1.00 0.00 H new ATOM 0 HD13 ILE A 478 -1.698 -2.363 8.026 1.00 0.00 H new ATOM 496 N ARG A 479 2.735 0.188 9.617 1.00 0.00 N ATOM 497 CA ARG A 479 4.155 0.497 9.499 1.00 0.00 C ATOM 498 C ARG A 479 5.003 -0.757 9.696 1.00 0.00 C ATOM 499 O ARG A 479 5.693 -1.201 8.780 1.00 0.00 O ATOM 500 CB ARG A 479 4.554 1.561 10.523 1.00 0.00 C ATOM 501 CG ARG A 479 5.701 2.447 10.065 1.00 0.00 C ATOM 502 CD ARG A 479 5.702 3.780 10.797 1.00 0.00 C ATOM 503 NE ARG A 479 6.102 3.638 12.194 1.00 0.00 N ATOM 504 CZ ARG A 479 6.123 4.645 13.059 1.00 0.00 C ATOM 505 NH1 ARG A 479 5.768 5.863 12.672 1.00 0.00 N ATOM 506 NH2 ARG A 479 6.498 4.436 14.315 1.00 0.00 N ATOM 0 H ARG A 479 2.181 0.916 10.068 1.00 0.00 H new ATOM 0 HA ARG A 479 4.335 0.882 8.495 1.00 0.00 H new ATOM 0 HB2 ARG A 479 3.688 2.186 10.741 1.00 0.00 H new ATOM 0 HB3 ARG A 479 4.835 1.069 11.454 1.00 0.00 H new ATOM 0 HG2 ARG A 479 6.648 1.936 10.237 1.00 0.00 H new ATOM 0 HG3 ARG A 479 5.622 2.620 8.992 1.00 0.00 H new ATOM 0 HD2 ARG A 479 6.381 4.469 10.294 1.00 0.00 H new ATOM 0 HD3 ARG A 479 4.706 4.221 10.748 1.00 0.00 H new ATOM 0 HE ARG A 479 6.381 2.714 12.524 1.00 0.00 H new ATOM 0 HH11 ARG A 479 5.478 6.028 11.708 1.00 0.00 H new ATOM 0 HH12 ARG A 479 5.785 6.635 13.338 1.00 0.00 H new ATOM 0 HH21 ARG A 479 6.771 3.501 14.617 1.00 0.00 H new ATOM 0 HH22 ARG A 479 6.514 5.211 14.978 1.00 0.00 H new ATOM 520 N GLU A 480 4.944 -1.321 10.898 1.00 0.00 N ATOM 521 CA GLU A 480 5.707 -2.523 11.215 1.00 0.00 C ATOM 522 C GLU A 480 5.246 -3.701 10.362 1.00 0.00 C ATOM 523 O GLU A 480 6.060 -4.401 9.758 1.00 0.00 O ATOM 524 CB GLU A 480 5.566 -2.867 12.699 1.00 0.00 C ATOM 525 CG GLU A 480 4.142 -3.199 13.114 1.00 0.00 C ATOM 526 CD GLU A 480 3.948 -3.156 14.617 1.00 0.00 C ATOM 527 OE1 GLU A 480 4.215 -2.096 15.221 1.00 0.00 O ATOM 528 OE2 GLU A 480 3.527 -4.183 15.190 1.00 0.00 O ATOM 0 H GLU A 480 4.377 -0.966 11.668 1.00 0.00 H new ATOM 0 HA GLU A 480 6.756 -2.325 10.994 1.00 0.00 H new ATOM 0 HB2 GLU A 480 6.210 -3.716 12.929 1.00 0.00 H new ATOM 0 HB3 GLU A 480 5.922 -2.026 13.294 1.00 0.00 H new ATOM 0 HG2 GLU A 480 3.457 -2.495 12.643 1.00 0.00 H new ATOM 0 HG3 GLU A 480 3.882 -4.192 12.746 1.00 0.00 H new ATOM 535 N LEU A 481 3.936 -3.915 10.319 1.00 0.00 N ATOM 536 CA LEU A 481 3.364 -5.009 9.541 1.00 0.00 C ATOM 537 C LEU A 481 4.157 -5.237 8.258 1.00 0.00 C ATOM 538 O LEU A 481 4.442 -6.375 7.886 1.00 0.00 O ATOM 539 CB LEU A 481 1.902 -4.712 9.205 1.00 0.00 C ATOM 540 CG LEU A 481 1.163 -5.792 8.413 1.00 0.00 C ATOM 541 CD1 LEU A 481 0.752 -6.936 9.327 1.00 0.00 C ATOM 542 CD2 LEU A 481 -0.054 -5.202 7.714 1.00 0.00 C ATOM 0 H LEU A 481 3.249 -3.346 10.814 1.00 0.00 H new ATOM 0 HA LEU A 481 3.414 -5.916 10.143 1.00 0.00 H new ATOM 0 HB2 LEU A 481 1.363 -4.540 10.137 1.00 0.00 H new ATOM 0 HB3 LEU A 481 1.862 -3.782 8.638 1.00 0.00 H new ATOM 0 HG LEU A 481 1.839 -6.185 7.653 1.00 0.00 H new ATOM 0 HD11 LEU A 481 0.228 -7.695 8.747 1.00 0.00 H new ATOM 0 HD12 LEU A 481 1.640 -7.376 9.781 1.00 0.00 H new ATOM 0 HD13 LEU A 481 0.094 -6.558 10.109 1.00 0.00 H new ATOM 0 HD21 LEU A 481 -0.568 -5.984 7.155 1.00 0.00 H new ATOM 0 HD22 LEU A 481 -0.732 -4.782 8.457 1.00 0.00 H new ATOM 0 HD23 LEU A 481 0.265 -4.417 7.029 1.00 0.00 H new ATOM 554 N PHE A 482 4.513 -4.146 7.587 1.00 0.00 N ATOM 555 CA PHE A 482 5.274 -4.226 6.346 1.00 0.00 C ATOM 556 C PHE A 482 6.769 -4.083 6.615 1.00 0.00 C ATOM 557 O PHE A 482 7.586 -4.805 6.043 1.00 0.00 O ATOM 558 CB PHE A 482 4.814 -3.142 5.369 1.00 0.00 C ATOM 559 CG PHE A 482 3.537 -3.482 4.654 1.00 0.00 C ATOM 560 CD1 PHE A 482 3.554 -4.268 3.514 1.00 0.00 C ATOM 561 CD2 PHE A 482 2.320 -3.016 5.124 1.00 0.00 C ATOM 562 CE1 PHE A 482 2.381 -4.581 2.854 1.00 0.00 C ATOM 563 CE2 PHE A 482 1.143 -3.326 4.469 1.00 0.00 C ATOM 564 CZ PHE A 482 1.173 -4.111 3.333 1.00 0.00 C ATOM 0 H PHE A 482 4.286 -3.196 7.882 1.00 0.00 H new ATOM 0 HA PHE A 482 5.094 -5.205 5.902 1.00 0.00 H new ATOM 0 HB2 PHE A 482 4.679 -2.207 5.913 1.00 0.00 H new ATOM 0 HB3 PHE A 482 5.599 -2.971 4.632 1.00 0.00 H new ATOM 0 HD1 PHE A 482 4.495 -4.641 3.136 1.00 0.00 H new ATOM 0 HD2 PHE A 482 2.291 -2.403 6.013 1.00 0.00 H new ATOM 0 HE1 PHE A 482 2.408 -5.193 1.964 1.00 0.00 H new ATOM 0 HE2 PHE A 482 0.201 -2.955 4.845 1.00 0.00 H new ATOM 0 HZ PHE A 482 0.255 -4.357 2.820 1.00 0.00 H new ATOM 574 N SER A 483 7.120 -3.145 7.489 1.00 0.00 N ATOM 575 CA SER A 483 8.516 -2.903 7.831 1.00 0.00 C ATOM 576 C SER A 483 9.277 -4.218 7.970 1.00 0.00 C ATOM 577 O SER A 483 10.412 -4.345 7.507 1.00 0.00 O ATOM 578 CB SER A 483 8.613 -2.104 9.132 1.00 0.00 C ATOM 579 OG SER A 483 9.891 -1.508 9.270 1.00 0.00 O ATOM 0 H SER A 483 6.456 -2.540 7.973 1.00 0.00 H new ATOM 0 HA SER A 483 8.968 -2.326 7.024 1.00 0.00 H new ATOM 0 HB2 SER A 483 7.844 -1.331 9.146 1.00 0.00 H new ATOM 0 HB3 SER A 483 8.421 -2.760 9.981 1.00 0.00 H new ATOM 0 HG SER A 483 9.927 -1.002 10.108 1.00 0.00 H new ATOM 585 N THR A 484 8.645 -5.196 8.612 1.00 0.00 N ATOM 586 CA THR A 484 9.261 -6.501 8.814 1.00 0.00 C ATOM 587 C THR A 484 10.023 -6.947 7.571 1.00 0.00 C ATOM 588 O THR A 484 11.169 -7.387 7.658 1.00 0.00 O ATOM 589 CB THR A 484 8.210 -7.569 9.169 1.00 0.00 C ATOM 590 OG1 THR A 484 7.470 -7.162 10.326 1.00 0.00 O ATOM 591 CG2 THR A 484 8.872 -8.913 9.432 1.00 0.00 C ATOM 0 H THR A 484 7.706 -5.108 9.001 1.00 0.00 H new ATOM 0 HA THR A 484 9.957 -6.397 9.646 1.00 0.00 H new ATOM 0 HB THR A 484 7.532 -7.675 8.322 1.00 0.00 H new ATOM 0 HG1 THR A 484 6.802 -7.845 10.544 1.00 0.00 H new ATOM 0 HG21 THR A 484 8.110 -9.651 9.681 1.00 0.00 H new ATOM 0 HG22 THR A 484 9.411 -9.234 8.540 1.00 0.00 H new ATOM 0 HG23 THR A 484 9.570 -8.818 10.264 1.00 0.00 H new ATOM 599 N PHE A 485 9.379 -6.831 6.414 1.00 0.00 N ATOM 600 CA PHE A 485 9.997 -7.223 5.153 1.00 0.00 C ATOM 601 C PHE A 485 11.188 -6.327 4.829 1.00 0.00 C ATOM 602 O PHE A 485 12.236 -6.803 4.394 1.00 0.00 O ATOM 603 CB PHE A 485 8.973 -7.160 4.018 1.00 0.00 C ATOM 604 CG PHE A 485 7.940 -8.249 4.080 1.00 0.00 C ATOM 605 CD1 PHE A 485 6.904 -8.188 4.997 1.00 0.00 C ATOM 606 CD2 PHE A 485 8.006 -9.334 3.221 1.00 0.00 C ATOM 607 CE1 PHE A 485 5.953 -9.189 5.057 1.00 0.00 C ATOM 608 CE2 PHE A 485 7.058 -10.339 3.275 1.00 0.00 C ATOM 609 CZ PHE A 485 6.030 -10.265 4.194 1.00 0.00 C ATOM 0 H PHE A 485 8.430 -6.469 6.324 1.00 0.00 H new ATOM 0 HA PHE A 485 10.354 -8.248 5.255 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.471 -6.193 4.045 1.00 0.00 H new ATOM 0 HB3 PHE A 485 9.496 -7.221 3.064 1.00 0.00 H new ATOM 0 HD1 PHE A 485 6.838 -7.348 5.673 1.00 0.00 H new ATOM 0 HD2 PHE A 485 8.808 -9.396 2.500 1.00 0.00 H new ATOM 0 HE1 PHE A 485 5.151 -9.130 5.778 1.00 0.00 H new ATOM 0 HE2 PHE A 485 7.121 -11.180 2.600 1.00 0.00 H new ATOM 0 HZ PHE A 485 5.287 -11.048 4.238 1.00 0.00 H new ATOM 619 N GLY A 486 11.019 -5.026 5.044 1.00 0.00 N ATOM 620 CA GLY A 486 12.087 -4.083 4.769 1.00 0.00 C ATOM 621 C GLY A 486 11.712 -2.660 5.131 1.00 0.00 C ATOM 622 O GLY A 486 10.579 -2.393 5.528 1.00 0.00 O ATOM 0 H GLY A 486 10.161 -4.608 5.404 1.00 0.00 H new ATOM 0 HA2 GLY A 486 12.977 -4.374 5.327 1.00 0.00 H new ATOM 0 HA3 GLY A 486 12.345 -4.129 3.711 1.00 0.00 H new ATOM 626 N GLU A 487 12.667 -1.745 4.996 1.00 0.00 N ATOM 627 CA GLU A 487 12.431 -0.342 5.315 1.00 0.00 C ATOM 628 C GLU A 487 11.318 0.234 4.443 1.00 0.00 C ATOM 629 O GLU A 487 11.199 -0.104 3.265 1.00 0.00 O ATOM 630 CB GLU A 487 13.714 0.470 5.127 1.00 0.00 C ATOM 631 CG GLU A 487 13.556 1.943 5.463 1.00 0.00 C ATOM 632 CD GLU A 487 13.253 2.178 6.930 1.00 0.00 C ATOM 633 OE1 GLU A 487 14.015 1.673 7.781 1.00 0.00 O ATOM 634 OE2 GLU A 487 12.254 2.866 7.227 1.00 0.00 O ATOM 0 H GLU A 487 13.611 -1.950 4.668 1.00 0.00 H new ATOM 0 HA GLU A 487 12.121 -0.280 6.358 1.00 0.00 H new ATOM 0 HB2 GLU A 487 14.498 0.045 5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 487 14.046 0.375 4.093 1.00 0.00 H new ATOM 0 HG2 GLU A 487 14.470 2.473 5.195 1.00 0.00 H new ATOM 0 HG3 GLU A 487 12.754 2.366 4.858 1.00 0.00 H new ATOM 641 N LEU A 488 10.506 1.105 5.031 1.00 0.00 N ATOM 642 CA LEU A 488 9.402 1.729 4.310 1.00 0.00 C ATOM 643 C LEU A 488 9.700 3.197 4.022 1.00 0.00 C ATOM 644 O LEU A 488 10.464 3.839 4.742 1.00 0.00 O ATOM 645 CB LEU A 488 8.107 1.608 5.115 1.00 0.00 C ATOM 646 CG LEU A 488 7.709 0.193 5.538 1.00 0.00 C ATOM 647 CD1 LEU A 488 6.579 0.238 6.555 1.00 0.00 C ATOM 648 CD2 LEU A 488 7.305 -0.632 4.325 1.00 0.00 C ATOM 0 H LEU A 488 10.591 1.395 6.005 1.00 0.00 H new ATOM 0 HA LEU A 488 9.281 1.209 3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 488 8.202 2.221 6.012 1.00 0.00 H new ATOM 0 HB3 LEU A 488 7.295 2.031 4.524 1.00 0.00 H new ATOM 0 HG LEU A 488 8.572 -0.282 6.005 1.00 0.00 H new ATOM 0 HD11 LEU A 488 6.309 -0.778 6.844 1.00 0.00 H new ATOM 0 HD12 LEU A 488 6.904 0.792 7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 488 5.713 0.732 6.115 1.00 0.00 H new ATOM 0 HD21 LEU A 488 7.025 -1.636 4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 488 6.457 -0.159 3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 488 8.143 -0.693 3.631 1.00 0.00 H new ATOM 660 N LYS A 489 9.091 3.722 2.965 1.00 0.00 N ATOM 661 CA LYS A 489 9.287 5.116 2.582 1.00 0.00 C ATOM 662 C LYS A 489 8.399 6.038 3.412 1.00 0.00 C ATOM 663 O LYS A 489 8.878 6.994 4.023 1.00 0.00 O ATOM 664 CB LYS A 489 8.987 5.305 1.094 1.00 0.00 C ATOM 665 CG LYS A 489 10.199 5.109 0.199 1.00 0.00 C ATOM 666 CD LYS A 489 10.948 6.413 -0.016 1.00 0.00 C ATOM 667 CE LYS A 489 11.790 6.780 1.196 1.00 0.00 C ATOM 668 NZ LYS A 489 12.911 7.692 0.839 1.00 0.00 N ATOM 0 H LYS A 489 8.457 3.203 2.357 1.00 0.00 H new ATOM 0 HA LYS A 489 10.328 5.376 2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 489 8.209 4.602 0.797 1.00 0.00 H new ATOM 0 HB3 LYS A 489 8.588 6.307 0.937 1.00 0.00 H new ATOM 0 HG2 LYS A 489 10.868 4.373 0.646 1.00 0.00 H new ATOM 0 HG3 LYS A 489 9.881 4.708 -0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 489 11.590 6.325 -0.893 1.00 0.00 H new ATOM 0 HD3 LYS A 489 10.236 7.213 -0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 489 11.159 7.257 1.945 1.00 0.00 H new ATOM 0 HE3 LYS A 489 12.190 5.872 1.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 489 13.460 7.918 1.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 489 13.528 7.227 0.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 489 12.529 8.569 0.431 1.00 0.00 H new ATOM 682 N THR A 490 7.102 5.745 3.430 1.00 0.00 N ATOM 683 CA THR A 490 6.148 6.547 4.184 1.00 0.00 C ATOM 684 C THR A 490 4.791 5.856 4.265 1.00 0.00 C ATOM 685 O THR A 490 4.290 5.332 3.270 1.00 0.00 O ATOM 686 CB THR A 490 5.965 7.941 3.556 1.00 0.00 C ATOM 687 OG1 THR A 490 5.110 8.742 4.380 1.00 0.00 O ATOM 688 CG2 THR A 490 5.374 7.831 2.158 1.00 0.00 C ATOM 0 H THR A 490 6.689 4.958 2.930 1.00 0.00 H new ATOM 0 HA THR A 490 6.555 6.660 5.189 1.00 0.00 H new ATOM 0 HB THR A 490 6.944 8.414 3.483 1.00 0.00 H new ATOM 0 HG1 THR A 490 5.000 9.627 3.974 1.00 0.00 H new ATOM 0 HG21 THR A 490 5.254 8.828 1.734 1.00 0.00 H new ATOM 0 HG22 THR A 490 6.042 7.246 1.526 1.00 0.00 H new ATOM 0 HG23 THR A 490 4.402 7.340 2.211 1.00 0.00 H new ATOM 696 N VAL A 491 4.200 5.860 5.455 1.00 0.00 N ATOM 697 CA VAL A 491 2.899 5.235 5.665 1.00 0.00 C ATOM 698 C VAL A 491 1.786 6.276 5.684 1.00 0.00 C ATOM 699 O VAL A 491 1.915 7.326 6.314 1.00 0.00 O ATOM 700 CB VAL A 491 2.865 4.438 6.982 1.00 0.00 C ATOM 701 CG1 VAL A 491 1.461 3.923 7.259 1.00 0.00 C ATOM 702 CG2 VAL A 491 3.863 3.291 6.937 1.00 0.00 C ATOM 0 H VAL A 491 4.601 6.289 6.289 1.00 0.00 H new ATOM 0 HA VAL A 491 2.738 4.551 4.832 1.00 0.00 H new ATOM 0 HB VAL A 491 3.149 5.104 7.796 1.00 0.00 H new ATOM 0 HG11 VAL A 491 1.457 3.362 8.194 1.00 0.00 H new ATOM 0 HG12 VAL A 491 0.774 4.765 7.338 1.00 0.00 H new ATOM 0 HG13 VAL A 491 1.145 3.272 6.444 1.00 0.00 H new ATOM 0 HG21 VAL A 491 3.825 2.739 7.876 1.00 0.00 H new ATOM 0 HG22 VAL A 491 3.613 2.623 6.113 1.00 0.00 H new ATOM 0 HG23 VAL A 491 4.867 3.688 6.790 1.00 0.00 H new ATOM 712 N ARG A 492 0.692 5.978 4.990 1.00 0.00 N ATOM 713 CA ARG A 492 -0.444 6.889 4.927 1.00 0.00 C ATOM 714 C ARG A 492 -1.740 6.168 5.289 1.00 0.00 C ATOM 715 O ARG A 492 -2.102 5.169 4.666 1.00 0.00 O ATOM 716 CB ARG A 492 -0.561 7.497 3.528 1.00 0.00 C ATOM 717 CG ARG A 492 0.587 8.427 3.171 1.00 0.00 C ATOM 718 CD ARG A 492 0.570 8.791 1.695 1.00 0.00 C ATOM 719 NE ARG A 492 1.855 9.321 1.247 1.00 0.00 N ATOM 720 CZ ARG A 492 1.997 10.106 0.185 1.00 0.00 C ATOM 721 NH1 ARG A 492 0.938 10.451 -0.535 1.00 0.00 N ATOM 722 NH2 ARG A 492 3.200 10.548 -0.160 1.00 0.00 N ATOM 0 H ARG A 492 0.569 5.113 4.464 1.00 0.00 H new ATOM 0 HA ARG A 492 -0.277 7.687 5.650 1.00 0.00 H new ATOM 0 HB2 ARG A 492 -0.608 6.693 2.794 1.00 0.00 H new ATOM 0 HB3 ARG A 492 -1.499 8.048 3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 492 0.522 9.334 3.771 1.00 0.00 H new ATOM 0 HG3 ARG A 492 1.535 7.949 3.418 1.00 0.00 H new ATOM 0 HD2 ARG A 492 0.317 7.909 1.107 1.00 0.00 H new ATOM 0 HD3 ARG A 492 -0.210 9.530 1.513 1.00 0.00 H new ATOM 0 HE ARG A 492 2.690 9.075 1.779 1.00 0.00 H new ATOM 0 HH11 ARG A 492 0.012 10.113 -0.274 1.00 0.00 H new ATOM 0 HH12 ARG A 492 1.050 11.054 -1.350 1.00 0.00 H new ATOM 0 HH21 ARG A 492 4.017 10.285 0.391 1.00 0.00 H new ATOM 0 HH22 ARG A 492 3.307 11.151 -0.976 1.00 0.00 H new ATOM 736 N LEU A 493 -2.432 6.680 6.300 1.00 0.00 N ATOM 737 CA LEU A 493 -3.687 6.085 6.747 1.00 0.00 C ATOM 738 C LEU A 493 -4.740 7.160 6.999 1.00 0.00 C ATOM 739 O LEU A 493 -4.442 8.256 7.473 1.00 0.00 O ATOM 740 CB LEU A 493 -3.463 5.267 8.020 1.00 0.00 C ATOM 741 CG LEU A 493 -2.991 3.827 7.817 1.00 0.00 C ATOM 742 CD1 LEU A 493 -1.474 3.768 7.736 1.00 0.00 C ATOM 743 CD2 LEU A 493 -3.502 2.936 8.940 1.00 0.00 C ATOM 0 H LEU A 493 -2.146 7.506 6.826 1.00 0.00 H new ATOM 0 HA LEU A 493 -4.048 5.425 5.958 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.729 5.785 8.637 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -4.396 5.247 8.584 1.00 0.00 H new ATOM 0 HG LEU A 493 -3.398 3.461 6.875 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.157 2.735 7.591 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -1.131 4.374 6.897 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -1.045 4.153 8.661 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -3.157 1.915 8.780 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -3.124 3.301 9.895 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -4.592 2.953 8.951 1.00 0.00 H new ATOM 899 N ARG A 504 -11.333 4.522 7.572 1.00 0.00 N ATOM 900 CA ARG A 504 -11.675 3.723 6.401 1.00 0.00 C ATOM 901 C ARG A 504 -10.669 2.594 6.199 1.00 0.00 C ATOM 902 O ARG A 504 -9.460 2.803 6.287 1.00 0.00 O ATOM 903 CB ARG A 504 -11.725 4.605 5.152 1.00 0.00 C ATOM 904 CG ARG A 504 -12.742 5.732 5.242 1.00 0.00 C ATOM 905 CD ARG A 504 -12.490 6.795 4.184 1.00 0.00 C ATOM 906 NE ARG A 504 -13.584 7.759 4.107 1.00 0.00 N ATOM 907 CZ ARG A 504 -13.674 8.694 3.167 1.00 0.00 C ATOM 908 NH1 ARG A 504 -12.741 8.790 2.231 1.00 0.00 N ATOM 909 NH2 ARG A 504 -14.700 9.536 3.164 1.00 0.00 N ATOM 0 HA ARG A 504 -12.659 3.284 6.568 1.00 0.00 H new ATOM 0 HB2 ARG A 504 -10.737 5.032 4.979 1.00 0.00 H new ATOM 0 HB3 ARG A 504 -11.960 3.983 4.288 1.00 0.00 H new ATOM 0 HG2 ARG A 504 -13.747 5.327 5.121 1.00 0.00 H new ATOM 0 HG3 ARG A 504 -12.698 6.185 6.232 1.00 0.00 H new ATOM 0 HD2 ARG A 504 -11.561 7.318 4.410 1.00 0.00 H new ATOM 0 HD3 ARG A 504 -12.359 6.317 3.213 1.00 0.00 H new ATOM 0 HE ARG A 504 -14.319 7.712 4.813 1.00 0.00 H new ATOM 0 HH11 ARG A 504 -11.951 8.145 2.231 1.00 0.00 H new ATOM 0 HH12 ARG A 504 -12.813 9.509 1.511 1.00 0.00 H new ATOM 0 HH21 ARG A 504 -15.420 9.466 3.883 1.00 0.00 H new ATOM 0 HH22 ARG A 504 -14.769 10.254 2.442 1.00 0.00 H new ATOM 923 N GLY A 505 -11.179 1.395 5.930 1.00 0.00 N ATOM 924 CA GLY A 505 -10.311 0.251 5.721 1.00 0.00 C ATOM 925 C GLY A 505 -9.498 0.365 4.447 1.00 0.00 C ATOM 926 O GLY A 505 -9.747 -0.351 3.476 1.00 0.00 O ATOM 0 H GLY A 505 -12.177 1.196 5.853 1.00 0.00 H new ATOM 0 HA2 GLY A 505 -9.636 0.151 6.571 1.00 0.00 H new ATOM 0 HA3 GLY A 505 -10.914 -0.656 5.684 1.00 0.00 H new ATOM 930 N PHE A 506 -8.523 1.267 4.448 1.00 0.00 N ATOM 931 CA PHE A 506 -7.671 1.475 3.283 1.00 0.00 C ATOM 932 C PHE A 506 -6.423 2.269 3.656 1.00 0.00 C ATOM 933 O PHE A 506 -6.513 3.374 4.189 1.00 0.00 O ATOM 934 CB PHE A 506 -8.444 2.205 2.183 1.00 0.00 C ATOM 935 CG PHE A 506 -8.357 3.701 2.281 1.00 0.00 C ATOM 936 CD1 PHE A 506 -7.285 4.383 1.729 1.00 0.00 C ATOM 937 CD2 PHE A 506 -9.347 4.425 2.925 1.00 0.00 C ATOM 938 CE1 PHE A 506 -7.202 5.760 1.818 1.00 0.00 C ATOM 939 CE2 PHE A 506 -9.270 5.802 3.017 1.00 0.00 C ATOM 940 CZ PHE A 506 -8.196 6.470 2.462 1.00 0.00 C ATOM 0 H PHE A 506 -8.303 1.866 5.243 1.00 0.00 H new ATOM 0 HA PHE A 506 -7.361 0.498 2.912 1.00 0.00 H new ATOM 0 HB2 PHE A 506 -8.063 1.890 1.212 1.00 0.00 H new ATOM 0 HB3 PHE A 506 -9.491 1.906 2.227 1.00 0.00 H new ATOM 0 HD1 PHE A 506 -6.505 3.833 1.223 1.00 0.00 H new ATOM 0 HD2 PHE A 506 -10.189 3.907 3.360 1.00 0.00 H new ATOM 0 HE1 PHE A 506 -6.361 6.280 1.384 1.00 0.00 H new ATOM 0 HE2 PHE A 506 -10.048 6.355 3.522 1.00 0.00 H new ATOM 0 HZ PHE A 506 -8.134 7.546 2.532 1.00 0.00 H new ATOM 950 N GLY A 507 -5.257 1.697 3.371 1.00 0.00 N ATOM 951 CA GLY A 507 -4.007 2.365 3.684 1.00 0.00 C ATOM 952 C GLY A 507 -2.964 2.179 2.600 1.00 0.00 C ATOM 953 O GLY A 507 -2.913 1.136 1.948 1.00 0.00 O ATOM 0 H GLY A 507 -5.156 0.783 2.929 1.00 0.00 H new ATOM 0 HA2 GLY A 507 -4.193 3.430 3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 507 -3.619 1.980 4.627 1.00 0.00 H new ATOM 957 N PHE A 508 -2.129 3.195 2.404 1.00 0.00 N ATOM 958 CA PHE A 508 -1.084 3.141 1.389 1.00 0.00 C ATOM 959 C PHE A 508 0.283 2.915 2.028 1.00 0.00 C ATOM 960 O PHE A 508 0.678 3.634 2.945 1.00 0.00 O ATOM 961 CB PHE A 508 -1.070 4.433 0.570 1.00 0.00 C ATOM 962 CG PHE A 508 -2.187 4.522 -0.429 1.00 0.00 C ATOM 963 CD1 PHE A 508 -3.455 4.922 -0.038 1.00 0.00 C ATOM 964 CD2 PHE A 508 -1.970 4.206 -1.761 1.00 0.00 C ATOM 965 CE1 PHE A 508 -4.485 5.004 -0.956 1.00 0.00 C ATOM 966 CE2 PHE A 508 -2.996 4.286 -2.683 1.00 0.00 C ATOM 967 CZ PHE A 508 -4.255 4.687 -2.280 1.00 0.00 C ATOM 0 H PHE A 508 -2.156 4.065 2.935 1.00 0.00 H new ATOM 0 HA PHE A 508 -1.299 2.303 0.726 1.00 0.00 H new ATOM 0 HB2 PHE A 508 -1.131 5.284 1.248 1.00 0.00 H new ATOM 0 HB3 PHE A 508 -0.118 4.511 0.046 1.00 0.00 H new ATOM 0 HD1 PHE A 508 -3.640 5.173 0.996 1.00 0.00 H new ATOM 0 HD2 PHE A 508 -0.987 3.894 -2.082 1.00 0.00 H new ATOM 0 HE1 PHE A 508 -5.469 5.316 -0.638 1.00 0.00 H new ATOM 0 HE2 PHE A 508 -2.814 4.035 -3.718 1.00 0.00 H new ATOM 0 HZ PHE A 508 -5.058 4.752 -2.999 1.00 0.00 H new ATOM 977 N VAL A 509 1.002 1.911 1.535 1.00 0.00 N ATOM 978 CA VAL A 509 2.325 1.590 2.057 1.00 0.00 C ATOM 979 C VAL A 509 3.392 1.741 0.979 1.00 0.00 C ATOM 980 O VAL A 509 3.235 1.248 -0.138 1.00 0.00 O ATOM 981 CB VAL A 509 2.375 0.155 2.616 1.00 0.00 C ATOM 982 CG1 VAL A 509 3.767 -0.167 3.136 1.00 0.00 C ATOM 983 CG2 VAL A 509 1.333 -0.027 3.709 1.00 0.00 C ATOM 0 H VAL A 509 0.690 1.306 0.775 1.00 0.00 H new ATOM 0 HA VAL A 509 2.526 2.294 2.865 1.00 0.00 H new ATOM 0 HB VAL A 509 2.146 -0.540 1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 509 3.783 -1.184 3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 509 4.488 -0.079 2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 509 4.029 0.531 3.931 1.00 0.00 H new ATOM 0 HG21 VAL A 509 1.382 -1.046 4.093 1.00 0.00 H new ATOM 0 HG22 VAL A 509 1.529 0.675 4.519 1.00 0.00 H new ATOM 0 HG23 VAL A 509 0.340 0.159 3.300 1.00 0.00 H new ATOM 993 N ASP A 510 4.478 2.425 1.321 1.00 0.00 N ATOM 994 CA ASP A 510 5.573 2.641 0.383 1.00 0.00 C ATOM 995 C ASP A 510 6.856 1.987 0.886 1.00 0.00 C ATOM 996 O ASP A 510 7.142 1.998 2.084 1.00 0.00 O ATOM 997 CB ASP A 510 5.800 4.138 0.166 1.00 0.00 C ATOM 998 CG ASP A 510 4.540 4.856 -0.276 1.00 0.00 C ATOM 999 OD1 ASP A 510 3.440 4.296 -0.083 1.00 0.00 O ATOM 1000 OD2 ASP A 510 4.653 5.978 -0.814 1.00 0.00 O ATOM 0 H ASP A 510 4.624 2.840 2.241 1.00 0.00 H new ATOM 0 HA ASP A 510 5.300 2.182 -0.567 1.00 0.00 H new ATOM 0 HB2 ASP A 510 6.164 4.585 1.091 1.00 0.00 H new ATOM 0 HB3 ASP A 510 6.578 4.280 -0.584 1.00 0.00 H new ATOM 1005 N PHE A 511 7.626 1.418 -0.036 1.00 0.00 N ATOM 1006 CA PHE A 511 8.878 0.758 0.315 1.00 0.00 C ATOM 1007 C PHE A 511 10.070 1.499 -0.284 1.00 0.00 C ATOM 1008 O PHE A 511 9.911 2.333 -1.176 1.00 0.00 O ATOM 1009 CB PHE A 511 8.868 -0.692 -0.173 1.00 0.00 C ATOM 1010 CG PHE A 511 8.314 -1.659 0.834 1.00 0.00 C ATOM 1011 CD1 PHE A 511 6.955 -1.925 0.883 1.00 0.00 C ATOM 1012 CD2 PHE A 511 9.151 -2.303 1.730 1.00 0.00 C ATOM 1013 CE1 PHE A 511 6.442 -2.814 1.809 1.00 0.00 C ATOM 1014 CE2 PHE A 511 8.644 -3.193 2.658 1.00 0.00 C ATOM 1015 CZ PHE A 511 7.288 -3.450 2.697 1.00 0.00 C ATOM 0 H PHE A 511 7.405 1.401 -1.032 1.00 0.00 H new ATOM 0 HA PHE A 511 8.974 0.769 1.401 1.00 0.00 H new ATOM 0 HB2 PHE A 511 8.279 -0.755 -1.088 1.00 0.00 H new ATOM 0 HB3 PHE A 511 9.885 -0.988 -0.428 1.00 0.00 H new ATOM 0 HD1 PHE A 511 6.289 -1.432 0.190 1.00 0.00 H new ATOM 0 HD2 PHE A 511 10.213 -2.107 1.703 1.00 0.00 H new ATOM 0 HE1 PHE A 511 5.381 -3.011 1.838 1.00 0.00 H new ATOM 0 HE2 PHE A 511 9.308 -3.687 3.352 1.00 0.00 H new ATOM 0 HZ PHE A 511 6.890 -4.146 3.420 1.00 0.00 H new ATOM 1025 N ILE A 512 11.262 1.190 0.215 1.00 0.00 N ATOM 1026 CA ILE A 512 12.481 1.826 -0.270 1.00 0.00 C ATOM 1027 C ILE A 512 12.914 1.235 -1.607 1.00 0.00 C ATOM 1028 O ILE A 512 13.423 1.944 -2.476 1.00 0.00 O ATOM 1029 CB ILE A 512 13.633 1.680 0.741 1.00 0.00 C ATOM 1030 CG1 ILE A 512 13.189 2.155 2.126 1.00 0.00 C ATOM 1031 CG2 ILE A 512 14.851 2.461 0.273 1.00 0.00 C ATOM 1032 CD1 ILE A 512 12.851 3.628 2.180 1.00 0.00 C ATOM 0 H ILE A 512 11.410 0.503 0.955 1.00 0.00 H new ATOM 0 HA ILE A 512 12.255 2.884 -0.399 1.00 0.00 H new ATOM 0 HB ILE A 512 13.905 0.627 0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 512 12.317 1.579 2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 512 13.982 1.946 2.844 1.00 0.00 H new ATOM 0 HG21 ILE A 512 15.657 2.348 0.998 1.00 0.00 H new ATOM 0 HG22 ILE A 512 15.178 2.080 -0.695 1.00 0.00 H new ATOM 0 HG23 ILE A 512 14.593 3.516 0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 512 12.544 3.894 3.192 1.00 0.00 H new ATOM 0 HD12 ILE A 512 13.727 4.213 1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 512 12.037 3.840 1.487 1.00 0.00 H new ATOM 1044 N THR A 513 12.708 -0.068 -1.767 1.00 0.00 N ATOM 1045 CA THR A 513 13.076 -0.755 -2.998 1.00 0.00 C ATOM 1046 C THR A 513 11.952 -1.666 -3.478 1.00 0.00 C ATOM 1047 O THR A 513 11.221 -2.245 -2.673 1.00 0.00 O ATOM 1048 CB THR A 513 14.356 -1.593 -2.813 1.00 0.00 C ATOM 1049 OG1 THR A 513 14.178 -2.529 -1.744 1.00 0.00 O ATOM 1050 CG2 THR A 513 15.550 -0.698 -2.518 1.00 0.00 C ATOM 0 H THR A 513 12.288 -0.669 -1.058 1.00 0.00 H new ATOM 0 HA THR A 513 13.259 0.016 -3.746 1.00 0.00 H new ATOM 0 HB THR A 513 14.548 -2.134 -3.740 1.00 0.00 H new ATOM 0 HG1 THR A 513 14.995 -3.059 -1.634 1.00 0.00 H new ATOM 0 HG21 THR A 513 16.442 -1.311 -2.391 1.00 0.00 H new ATOM 0 HG22 THR A 513 15.700 -0.006 -3.347 1.00 0.00 H new ATOM 0 HG23 THR A 513 15.365 -0.134 -1.604 1.00 0.00 H new ATOM 1058 N LYS A 514 11.817 -1.789 -4.794 1.00 0.00 N ATOM 1059 CA LYS A 514 10.782 -2.631 -5.382 1.00 0.00 C ATOM 1060 C LYS A 514 10.811 -4.031 -4.777 1.00 0.00 C ATOM 1061 O LYS A 514 9.789 -4.536 -4.313 1.00 0.00 O ATOM 1062 CB LYS A 514 10.966 -2.716 -6.899 1.00 0.00 C ATOM 1063 CG LYS A 514 10.555 -1.451 -7.633 1.00 0.00 C ATOM 1064 CD LYS A 514 11.027 -1.466 -9.077 1.00 0.00 C ATOM 1065 CE LYS A 514 10.201 -2.423 -9.924 1.00 0.00 C ATOM 1066 NZ LYS A 514 8.948 -1.787 -10.416 1.00 0.00 N ATOM 0 H LYS A 514 12.412 -1.316 -5.474 1.00 0.00 H new ATOM 0 HA LYS A 514 9.814 -2.180 -5.164 1.00 0.00 H new ATOM 0 HB2 LYS A 514 12.012 -2.930 -7.118 1.00 0.00 H new ATOM 0 HB3 LYS A 514 10.383 -3.554 -7.281 1.00 0.00 H new ATOM 0 HG2 LYS A 514 9.470 -1.349 -7.605 1.00 0.00 H new ATOM 0 HG3 LYS A 514 10.970 -0.582 -7.123 1.00 0.00 H new ATOM 0 HD2 LYS A 514 10.961 -0.461 -9.493 1.00 0.00 H new ATOM 0 HD3 LYS A 514 12.076 -1.758 -9.115 1.00 0.00 H new ATOM 0 HE2 LYS A 514 10.795 -2.761 -10.773 1.00 0.00 H new ATOM 0 HE3 LYS A 514 9.953 -3.307 -9.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 514 8.413 -2.471 -10.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 514 8.370 -1.487 -9.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 514 9.185 -0.958 -10.998 1.00 0.00 H new ATOM 1080 N GLN A 515 11.987 -4.650 -4.785 1.00 0.00 N ATOM 1081 CA GLN A 515 12.147 -5.991 -4.236 1.00 0.00 C ATOM 1082 C GLN A 515 11.264 -6.186 -3.008 1.00 0.00 C ATOM 1083 O GLN A 515 10.275 -6.918 -3.052 1.00 0.00 O ATOM 1084 CB GLN A 515 13.611 -6.245 -3.871 1.00 0.00 C ATOM 1085 CG GLN A 515 14.573 -6.024 -5.027 1.00 0.00 C ATOM 1086 CD GLN A 515 15.891 -6.748 -4.836 1.00 0.00 C ATOM 1087 OE1 GLN A 515 15.955 -7.778 -4.165 1.00 0.00 O ATOM 1088 NE2 GLN A 515 16.952 -6.211 -5.426 1.00 0.00 N ATOM 0 H GLN A 515 12.842 -4.245 -5.165 1.00 0.00 H new ATOM 0 HA GLN A 515 11.840 -6.707 -4.999 1.00 0.00 H new ATOM 0 HB2 GLN A 515 13.890 -5.589 -3.046 1.00 0.00 H new ATOM 0 HB3 GLN A 515 13.715 -7.269 -3.513 1.00 0.00 H new ATOM 0 HG2 GLN A 515 14.107 -6.363 -5.952 1.00 0.00 H new ATOM 0 HG3 GLN A 515 14.762 -4.956 -5.138 1.00 0.00 H new ATOM 0 HE21 GLN A 515 16.853 -5.356 -5.973 1.00 0.00 H new ATOM 0 HE22 GLN A 515 17.866 -6.654 -5.332 1.00 0.00 H new ATOM 1097 N ASP A 516 11.627 -5.526 -1.914 1.00 0.00 N ATOM 1098 CA ASP A 516 10.867 -5.626 -0.673 1.00 0.00 C ATOM 1099 C ASP A 516 9.368 -5.534 -0.945 1.00 0.00 C ATOM 1100 O ASP A 516 8.570 -6.228 -0.316 1.00 0.00 O ATOM 1101 CB ASP A 516 11.290 -4.524 0.299 1.00 0.00 C ATOM 1102 CG ASP A 516 12.724 -4.682 0.765 1.00 0.00 C ATOM 1103 OD1 ASP A 516 13.192 -5.835 0.864 1.00 0.00 O ATOM 1104 OD2 ASP A 516 13.378 -3.652 1.030 1.00 0.00 O ATOM 0 H ASP A 516 12.443 -4.916 -1.861 1.00 0.00 H new ATOM 0 HA ASP A 516 11.078 -6.596 -0.224 1.00 0.00 H new ATOM 0 HB2 ASP A 516 11.173 -3.554 -0.183 1.00 0.00 H new ATOM 0 HB3 ASP A 516 10.627 -4.532 1.164 1.00 0.00 H new ATOM 1109 N ALA A 517 8.995 -4.673 -1.886 1.00 0.00 N ATOM 1110 CA ALA A 517 7.593 -4.492 -2.241 1.00 0.00 C ATOM 1111 C ALA A 517 7.025 -5.747 -2.895 1.00 0.00 C ATOM 1112 O ALA A 517 5.891 -6.142 -2.624 1.00 0.00 O ATOM 1113 CB ALA A 517 7.434 -3.294 -3.167 1.00 0.00 C ATOM 0 H ALA A 517 9.643 -4.090 -2.416 1.00 0.00 H new ATOM 0 HA ALA A 517 7.033 -4.307 -1.324 1.00 0.00 H new ATOM 0 HB1 ALA A 517 6.382 -3.170 -3.424 1.00 0.00 H new ATOM 0 HB2 ALA A 517 7.793 -2.396 -2.665 1.00 0.00 H new ATOM 0 HB3 ALA A 517 8.013 -3.457 -4.076 1.00 0.00 H new ATOM 1119 N LYS A 518 7.820 -6.370 -3.758 1.00 0.00 N ATOM 1120 CA LYS A 518 7.398 -7.582 -4.451 1.00 0.00 C ATOM 1121 C LYS A 518 7.243 -8.742 -3.473 1.00 0.00 C ATOM 1122 O LYS A 518 6.217 -9.423 -3.458 1.00 0.00 O ATOM 1123 CB LYS A 518 8.408 -7.950 -5.540 1.00 0.00 C ATOM 1124 CG LYS A 518 7.791 -8.677 -6.722 1.00 0.00 C ATOM 1125 CD LYS A 518 6.942 -7.744 -7.569 1.00 0.00 C ATOM 1126 CE LYS A 518 6.567 -8.384 -8.897 1.00 0.00 C ATOM 1127 NZ LYS A 518 5.705 -9.584 -8.711 1.00 0.00 N ATOM 0 H LYS A 518 8.761 -6.055 -3.995 1.00 0.00 H new ATOM 0 HA LYS A 518 6.430 -7.388 -4.913 1.00 0.00 H new ATOM 0 HB2 LYS A 518 8.893 -7.041 -5.896 1.00 0.00 H new ATOM 0 HB3 LYS A 518 9.186 -8.577 -5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 518 8.580 -9.110 -7.336 1.00 0.00 H new ATOM 0 HG3 LYS A 518 7.177 -9.503 -6.362 1.00 0.00 H new ATOM 0 HD2 LYS A 518 6.037 -7.478 -7.023 1.00 0.00 H new ATOM 0 HD3 LYS A 518 7.488 -6.818 -7.751 1.00 0.00 H new ATOM 0 HE2 LYS A 518 6.045 -7.655 -9.517 1.00 0.00 H new ATOM 0 HE3 LYS A 518 7.473 -8.667 -9.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 518 5.458 -9.981 -9.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 518 6.218 -10.297 -8.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 518 4.836 -9.313 -8.208 1.00 0.00 H new ATOM 1141 N LYS A 519 8.267 -8.961 -2.656 1.00 0.00 N ATOM 1142 CA LYS A 519 8.245 -10.037 -1.672 1.00 0.00 C ATOM 1143 C LYS A 519 7.203 -9.765 -0.592 1.00 0.00 C ATOM 1144 O LYS A 519 6.546 -10.685 -0.105 1.00 0.00 O ATOM 1145 CB LYS A 519 9.626 -10.201 -1.034 1.00 0.00 C ATOM 1146 CG LYS A 519 10.136 -8.942 -0.355 1.00 0.00 C ATOM 1147 CD LYS A 519 11.056 -9.269 0.809 1.00 0.00 C ATOM 1148 CE LYS A 519 12.338 -9.938 0.335 1.00 0.00 C ATOM 1149 NZ LYS A 519 13.141 -10.466 1.472 1.00 0.00 N ATOM 0 H LYS A 519 9.124 -8.407 -2.656 1.00 0.00 H new ATOM 0 HA LYS A 519 7.977 -10.960 -2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 519 9.585 -11.007 -0.302 1.00 0.00 H new ATOM 0 HB3 LYS A 519 10.338 -10.503 -1.802 1.00 0.00 H new ATOM 0 HG2 LYS A 519 10.670 -8.327 -1.080 1.00 0.00 H new ATOM 0 HG3 LYS A 519 9.291 -8.353 0.002 1.00 0.00 H new ATOM 0 HD2 LYS A 519 11.300 -8.354 1.350 1.00 0.00 H new ATOM 0 HD3 LYS A 519 10.539 -9.925 1.509 1.00 0.00 H new ATOM 0 HE2 LYS A 519 12.092 -10.753 -0.345 1.00 0.00 H new ATOM 0 HE3 LYS A 519 12.935 -9.221 -0.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 519 14.006 -10.914 1.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 519 13.398 -9.684 2.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 519 12.581 -11.169 1.995 1.00 0.00 H new ATOM 1163 N ALA A 520 7.057 -8.497 -0.223 1.00 0.00 N ATOM 1164 CA ALA A 520 6.092 -8.104 0.797 1.00 0.00 C ATOM 1165 C ALA A 520 4.669 -8.438 0.364 1.00 0.00 C ATOM 1166 O ALA A 520 3.946 -9.145 1.066 1.00 0.00 O ATOM 1167 CB ALA A 520 6.219 -6.618 1.098 1.00 0.00 C ATOM 0 H ALA A 520 7.595 -7.724 -0.615 1.00 0.00 H new ATOM 0 HA ALA A 520 6.309 -8.668 1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 520 5.493 -6.338 1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 520 7.225 -6.405 1.459 1.00 0.00 H new ATOM 0 HB3 ALA A 520 6.030 -6.045 0.190 1.00 0.00 H new ATOM 1173 N PHE A 521 4.272 -7.925 -0.796 1.00 0.00 N ATOM 1174 CA PHE A 521 2.934 -8.168 -1.322 1.00 0.00 C ATOM 1175 C PHE A 521 2.706 -9.658 -1.563 1.00 0.00 C ATOM 1176 O PHE A 521 1.727 -10.231 -1.087 1.00 0.00 O ATOM 1177 CB PHE A 521 2.726 -7.392 -2.624 1.00 0.00 C ATOM 1178 CG PHE A 521 1.297 -7.371 -3.087 1.00 0.00 C ATOM 1179 CD1 PHE A 521 0.691 -8.524 -3.560 1.00 0.00 C ATOM 1180 CD2 PHE A 521 0.560 -6.198 -3.050 1.00 0.00 C ATOM 1181 CE1 PHE A 521 -0.623 -8.507 -3.988 1.00 0.00 C ATOM 1182 CE2 PHE A 521 -0.755 -6.175 -3.476 1.00 0.00 C ATOM 1183 CZ PHE A 521 -1.347 -7.332 -3.944 1.00 0.00 C ATOM 0 H PHE A 521 4.858 -7.338 -1.390 1.00 0.00 H new ATOM 0 HA PHE A 521 2.212 -7.823 -0.582 1.00 0.00 H new ATOM 0 HB2 PHE A 521 3.070 -6.367 -2.486 1.00 0.00 H new ATOM 0 HB3 PHE A 521 3.346 -7.834 -3.404 1.00 0.00 H new ATOM 0 HD1 PHE A 521 1.252 -9.446 -3.595 1.00 0.00 H new ATOM 0 HD2 PHE A 521 1.018 -5.291 -2.684 1.00 0.00 H new ATOM 0 HE1 PHE A 521 -1.083 -9.412 -4.357 1.00 0.00 H new ATOM 0 HE2 PHE A 521 -1.318 -5.254 -3.443 1.00 0.00 H new ATOM 0 HZ PHE A 521 -2.375 -7.318 -4.275 1.00 0.00 H new ATOM 1193 N ASN A 522 3.618 -10.277 -2.305 1.00 0.00 N ATOM 1194 CA ASN A 522 3.516 -11.699 -2.611 1.00 0.00 C ATOM 1195 C ASN A 522 3.388 -12.522 -1.333 1.00 0.00 C ATOM 1196 O ASN A 522 2.789 -13.598 -1.333 1.00 0.00 O ATOM 1197 CB ASN A 522 4.740 -12.160 -3.407 1.00 0.00 C ATOM 1198 CG ASN A 522 4.601 -11.884 -4.891 1.00 0.00 C ATOM 1199 OD1 ASN A 522 3.509 -11.595 -5.381 1.00 0.00 O ATOM 1200 ND2 ASN A 522 5.711 -11.972 -5.615 1.00 0.00 N ATOM 0 H ASN A 522 4.435 -9.817 -2.705 1.00 0.00 H new ATOM 0 HA ASN A 522 2.620 -11.853 -3.213 1.00 0.00 H new ATOM 0 HB2 ASN A 522 5.628 -11.655 -3.028 1.00 0.00 H new ATOM 0 HB3 ASN A 522 4.890 -13.228 -3.251 1.00 0.00 H new ATOM 0 HD21 ASN A 522 5.680 -11.797 -6.619 1.00 0.00 H new ATOM 0 HD22 ASN A 522 6.594 -12.215 -5.167 1.00 0.00 H new ATOM 1207 N ALA A 523 3.954 -12.009 -0.246 1.00 0.00 N ATOM 1208 CA ALA A 523 3.900 -12.695 1.040 1.00 0.00 C ATOM 1209 C ALA A 523 2.572 -12.437 1.744 1.00 0.00 C ATOM 1210 O ALA A 523 1.847 -13.373 2.085 1.00 0.00 O ATOM 1211 CB ALA A 523 5.061 -12.257 1.920 1.00 0.00 C ATOM 0 H ALA A 523 4.455 -11.121 -0.230 1.00 0.00 H new ATOM 0 HA ALA A 523 3.982 -13.766 0.857 1.00 0.00 H new ATOM 0 HB1 ALA A 523 5.009 -12.777 2.877 1.00 0.00 H new ATOM 0 HB2 ALA A 523 6.003 -12.499 1.427 1.00 0.00 H new ATOM 0 HB3 ALA A 523 5.005 -11.181 2.088 1.00 0.00 H new ATOM 1217 N LEU A 524 2.260 -11.164 1.961 1.00 0.00 N ATOM 1218 CA LEU A 524 1.019 -10.784 2.627 1.00 0.00 C ATOM 1219 C LEU A 524 -0.192 -11.192 1.795 1.00 0.00 C ATOM 1220 O LEU A 524 -1.070 -11.913 2.270 1.00 0.00 O ATOM 1221 CB LEU A 524 0.995 -9.275 2.878 1.00 0.00 C ATOM 1222 CG LEU A 524 1.719 -8.792 4.136 1.00 0.00 C ATOM 1223 CD1 LEU A 524 3.221 -8.744 3.902 1.00 0.00 C ATOM 1224 CD2 LEU A 524 1.199 -7.426 4.559 1.00 0.00 C ATOM 0 H LEU A 524 2.849 -10.378 1.686 1.00 0.00 H new ATOM 0 HA LEU A 524 0.972 -11.306 3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 524 1.436 -8.776 2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 524 -0.045 -8.953 2.935 1.00 0.00 H new ATOM 0 HG LEU A 524 1.520 -9.499 4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 524 3.719 -8.398 4.808 1.00 0.00 H new ATOM 0 HD12 LEU A 524 3.582 -9.741 3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 524 3.440 -8.059 3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 524 1.725 -7.098 5.455 1.00 0.00 H new ATOM 0 HD22 LEU A 524 1.367 -6.708 3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 524 0.131 -7.492 4.769 1.00 0.00 H new ATOM 1236 N CYS A 525 -0.232 -10.727 0.551 1.00 0.00 N ATOM 1237 CA CYS A 525 -1.336 -11.045 -0.349 1.00 0.00 C ATOM 1238 C CYS A 525 -1.662 -12.534 -0.304 1.00 0.00 C ATOM 1239 O CYS A 525 -2.798 -12.939 -0.552 1.00 0.00 O ATOM 1240 CB CYS A 525 -0.991 -10.629 -1.779 1.00 0.00 C ATOM 1241 SG CYS A 525 0.021 -11.830 -2.674 1.00 0.00 S ATOM 0 H CYS A 525 0.486 -10.129 0.143 1.00 0.00 H new ATOM 0 HA CYS A 525 -2.214 -10.489 -0.019 1.00 0.00 H new ATOM 0 HB2 CYS A 525 -1.916 -10.466 -2.332 1.00 0.00 H new ATOM 0 HB3 CYS A 525 -0.464 -9.675 -1.751 1.00 0.00 H new ATOM 0 HG CYS A 525 0.083 -11.496 -3.929 1.00 0.00 H new ATOM 1247 N HIS A 526 -0.658 -13.345 0.012 1.00 0.00 N ATOM 1248 CA HIS A 526 -0.837 -14.791 0.088 1.00 0.00 C ATOM 1249 C HIS A 526 -1.760 -15.164 1.245 1.00 0.00 C ATOM 1250 O HIS A 526 -2.661 -15.987 1.092 1.00 0.00 O ATOM 1251 CB HIS A 526 0.514 -15.486 0.254 1.00 0.00 C ATOM 1252 CG HIS A 526 0.448 -16.973 0.086 1.00 0.00 C ATOM 1253 ND1 HIS A 526 0.300 -17.586 -1.140 1.00 0.00 N ATOM 1254 CD2 HIS A 526 0.512 -17.970 0.999 1.00 0.00 C ATOM 1255 CE1 HIS A 526 0.274 -18.897 -0.974 1.00 0.00 C ATOM 1256 NE2 HIS A 526 0.401 -19.156 0.315 1.00 0.00 N ATOM 0 H HIS A 526 0.288 -13.026 0.220 1.00 0.00 H new ATOM 0 HA HIS A 526 -1.296 -15.125 -0.843 1.00 0.00 H new ATOM 0 HB2 HIS A 526 1.215 -15.077 -0.474 1.00 0.00 H new ATOM 0 HB3 HIS A 526 0.912 -15.258 1.243 1.00 0.00 H new ATOM 0 HD2 HIS A 526 0.629 -17.855 2.066 1.00 0.00 H new ATOM 0 HE1 HIS A 526 0.167 -19.631 -1.759 1.00 0.00 H new ATOM 0 HE2 HIS A 526 0.414 -20.086 0.734 1.00 0.00 H new ATOM 1264 N SER A 527 -1.526 -14.553 2.402 1.00 0.00 N ATOM 1265 CA SER A 527 -2.333 -14.824 3.586 1.00 0.00 C ATOM 1266 C SER A 527 -1.947 -13.893 4.731 1.00 0.00 C ATOM 1267 O SER A 527 -0.877 -14.031 5.326 1.00 0.00 O ATOM 1268 CB SER A 527 -2.166 -16.281 4.020 1.00 0.00 C ATOM 1269 OG SER A 527 -3.108 -16.626 5.021 1.00 0.00 O ATOM 0 H SER A 527 -0.784 -13.867 2.545 1.00 0.00 H new ATOM 0 HA SER A 527 -3.378 -14.645 3.332 1.00 0.00 H new ATOM 0 HB2 SER A 527 -2.290 -16.937 3.158 1.00 0.00 H new ATOM 0 HB3 SER A 527 -1.156 -16.438 4.398 1.00 0.00 H new ATOM 0 HG SER A 527 -2.982 -17.563 5.280 1.00 0.00 H new ATOM 1275 N THR A 528 -2.826 -12.944 5.036 1.00 0.00 N ATOM 1276 CA THR A 528 -2.578 -11.989 6.109 1.00 0.00 C ATOM 1277 C THR A 528 -3.719 -11.989 7.120 1.00 0.00 C ATOM 1278 O THR A 528 -4.882 -11.806 6.759 1.00 0.00 O ATOM 1279 CB THR A 528 -2.396 -10.561 5.559 1.00 0.00 C ATOM 1280 OG1 THR A 528 -1.278 -10.520 4.665 1.00 0.00 O ATOM 1281 CG2 THR A 528 -2.181 -9.569 6.692 1.00 0.00 C ATOM 0 H THR A 528 -3.716 -12.816 4.555 1.00 0.00 H new ATOM 0 HA THR A 528 -1.658 -12.301 6.603 1.00 0.00 H new ATOM 0 HB THR A 528 -3.302 -10.284 5.021 1.00 0.00 H new ATOM 0 HG1 THR A 528 -1.446 -11.113 3.903 1.00 0.00 H new ATOM 0 HG21 THR A 528 -2.055 -8.568 6.280 1.00 0.00 H new ATOM 0 HG22 THR A 528 -3.045 -9.582 7.356 1.00 0.00 H new ATOM 0 HG23 THR A 528 -1.288 -9.845 7.253 1.00 0.00 H new ATOM 1289 N HIS A 529 -3.380 -12.195 8.389 1.00 0.00 N ATOM 1290 CA HIS A 529 -4.377 -12.218 9.453 1.00 0.00 C ATOM 1291 C HIS A 529 -4.097 -11.128 10.483 1.00 0.00 C ATOM 1292 O HIS A 529 -3.040 -11.112 11.114 1.00 0.00 O ATOM 1293 CB HIS A 529 -4.395 -13.587 10.134 1.00 0.00 C ATOM 1294 CG HIS A 529 -5.055 -14.654 9.317 1.00 0.00 C ATOM 1295 ND1 HIS A 529 -4.857 -14.793 7.959 1.00 0.00 N ATOM 1296 CD2 HIS A 529 -5.913 -15.638 9.673 1.00 0.00 C ATOM 1297 CE1 HIS A 529 -5.566 -15.815 7.515 1.00 0.00 C ATOM 1298 NE2 HIS A 529 -6.216 -16.346 8.536 1.00 0.00 N ATOM 0 H HIS A 529 -2.422 -12.348 8.705 1.00 0.00 H new ATOM 0 HA HIS A 529 -5.353 -12.030 9.007 1.00 0.00 H new ATOM 0 HB2 HIS A 529 -3.370 -13.889 10.351 1.00 0.00 H new ATOM 0 HB3 HIS A 529 -4.912 -13.501 11.090 1.00 0.00 H new ATOM 0 HD2 HIS A 529 -6.290 -15.831 10.667 1.00 0.00 H new ATOM 0 HE1 HIS A 529 -5.608 -16.158 6.492 1.00 0.00 H new ATOM 0 HE2 HIS A 529 -6.841 -17.151 8.487 1.00 0.00 H new ATOM 1306 N LEU A 530 -5.051 -10.217 10.647 1.00 0.00 N ATOM 1307 CA LEU A 530 -4.907 -9.122 11.600 1.00 0.00 C ATOM 1308 C LEU A 530 -6.186 -8.934 12.409 1.00 0.00 C ATOM 1309 O LEU A 530 -7.229 -8.569 11.866 1.00 0.00 O ATOM 1310 CB LEU A 530 -4.559 -7.825 10.867 1.00 0.00 C ATOM 1311 CG LEU A 530 -3.977 -6.703 11.729 1.00 0.00 C ATOM 1312 CD1 LEU A 530 -2.670 -7.144 12.368 1.00 0.00 C ATOM 1313 CD2 LEU A 530 -3.769 -5.446 10.897 1.00 0.00 C ATOM 0 H LEU A 530 -5.932 -10.215 10.133 1.00 0.00 H new ATOM 0 HA LEU A 530 -4.098 -9.373 12.286 1.00 0.00 H new ATOM 0 HB2 LEU A 530 -3.844 -8.058 10.078 1.00 0.00 H new ATOM 0 HB3 LEU A 530 -5.461 -7.452 10.381 1.00 0.00 H new ATOM 0 HG LEU A 530 -4.687 -6.475 12.524 1.00 0.00 H new ATOM 0 HD11 LEU A 530 -2.271 -6.333 12.977 1.00 0.00 H new ATOM 0 HD12 LEU A 530 -2.849 -8.016 12.997 1.00 0.00 H new ATOM 0 HD13 LEU A 530 -1.952 -7.399 11.589 1.00 0.00 H new ATOM 0 HD21 LEU A 530 -3.355 -4.658 11.526 1.00 0.00 H new ATOM 0 HD22 LEU A 530 -3.079 -5.660 10.081 1.00 0.00 H new ATOM 0 HD23 LEU A 530 -4.725 -5.118 10.487 1.00 0.00 H new ATOM 1325 N TYR A 531 -6.098 -9.184 13.711 1.00 0.00 N ATOM 1326 CA TYR A 531 -7.248 -9.042 14.596 1.00 0.00 C ATOM 1327 C TYR A 531 -8.418 -9.891 14.109 1.00 0.00 C ATOM 1328 O TYR A 531 -9.548 -9.415 14.014 1.00 0.00 O ATOM 1329 CB TYR A 531 -7.671 -7.575 14.686 1.00 0.00 C ATOM 1330 CG TYR A 531 -6.577 -6.659 15.189 1.00 0.00 C ATOM 1331 CD1 TYR A 531 -6.109 -6.754 16.494 1.00 0.00 C ATOM 1332 CD2 TYR A 531 -6.012 -5.700 14.358 1.00 0.00 C ATOM 1333 CE1 TYR A 531 -5.111 -5.919 16.957 1.00 0.00 C ATOM 1334 CE2 TYR A 531 -5.012 -4.861 14.813 1.00 0.00 C ATOM 1335 CZ TYR A 531 -4.566 -4.975 16.113 1.00 0.00 C ATOM 1336 OH TYR A 531 -3.570 -4.142 16.570 1.00 0.00 O ATOM 0 H TYR A 531 -5.242 -9.486 14.177 1.00 0.00 H new ATOM 0 HA TYR A 531 -6.957 -9.391 15.587 1.00 0.00 H new ATOM 0 HB2 TYR A 531 -7.992 -7.237 13.701 1.00 0.00 H new ATOM 0 HB3 TYR A 531 -8.534 -7.494 15.347 1.00 0.00 H new ATOM 0 HD1 TYR A 531 -6.533 -7.493 17.157 1.00 0.00 H new ATOM 0 HD2 TYR A 531 -6.360 -5.608 13.340 1.00 0.00 H new ATOM 0 HE1 TYR A 531 -4.760 -6.005 17.975 1.00 0.00 H new ATOM 0 HE2 TYR A 531 -4.583 -4.121 14.154 1.00 0.00 H new ATOM 0 HH TYR A 531 -3.049 -4.603 17.260 1.00 0.00 H new ATOM 1346 N GLY A 532 -8.137 -11.154 13.803 1.00 0.00 N ATOM 1347 CA GLY A 532 -9.175 -12.051 13.330 1.00 0.00 C ATOM 1348 C GLY A 532 -9.825 -11.563 12.050 1.00 0.00 C ATOM 1349 O GLY A 532 -11.030 -11.722 11.858 1.00 0.00 O ATOM 0 H GLY A 532 -7.209 -11.572 13.874 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -8.748 -13.040 13.163 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -9.937 -12.159 14.102 1.00 0.00 H new ATOM 1353 N ARG A 533 -9.025 -10.965 11.173 1.00 0.00 N ATOM 1354 CA ARG A 533 -9.530 -10.449 9.906 1.00 0.00 C ATOM 1355 C ARG A 533 -8.543 -10.722 8.776 1.00 0.00 C ATOM 1356 O ARG A 533 -7.342 -10.867 9.008 1.00 0.00 O ATOM 1357 CB ARG A 533 -9.797 -8.946 10.013 1.00 0.00 C ATOM 1358 CG ARG A 533 -11.013 -8.602 10.857 1.00 0.00 C ATOM 1359 CD ARG A 533 -11.606 -7.260 10.458 1.00 0.00 C ATOM 1360 NE ARG A 533 -12.376 -6.658 11.543 1.00 0.00 N ATOM 1361 CZ ARG A 533 -13.589 -7.067 11.899 1.00 0.00 C ATOM 1362 NH1 ARG A 533 -14.166 -8.075 11.259 1.00 0.00 N ATOM 1363 NH2 ARG A 533 -14.226 -6.468 12.896 1.00 0.00 N ATOM 0 H ARG A 533 -8.025 -10.826 11.317 1.00 0.00 H new ATOM 0 HA ARG A 533 -10.465 -10.962 9.680 1.00 0.00 H new ATOM 0 HB2 ARG A 533 -8.920 -8.459 10.439 1.00 0.00 H new ATOM 0 HB3 ARG A 533 -9.933 -8.538 9.012 1.00 0.00 H new ATOM 0 HG2 ARG A 533 -11.767 -9.382 10.746 1.00 0.00 H new ATOM 0 HG3 ARG A 533 -10.732 -8.578 11.910 1.00 0.00 H new ATOM 0 HD2 ARG A 533 -10.804 -6.583 10.163 1.00 0.00 H new ATOM 0 HD3 ARG A 533 -12.248 -7.392 9.587 1.00 0.00 H new ATOM 0 HE ARG A 533 -11.960 -5.881 12.056 1.00 0.00 H new ATOM 0 HH11 ARG A 533 -13.679 -8.538 10.492 1.00 0.00 H new ATOM 0 HH12 ARG A 533 -15.097 -8.387 11.534 1.00 0.00 H new ATOM 0 HH21 ARG A 533 -13.785 -5.693 13.390 1.00 0.00 H new ATOM 0 HH22 ARG A 533 -15.157 -6.783 13.168 1.00 0.00 H new ATOM 1377 N ARG A 534 -9.057 -10.792 7.552 1.00 0.00 N ATOM 1378 CA ARG A 534 -8.221 -11.049 6.386 1.00 0.00 C ATOM 1379 C ARG A 534 -8.050 -9.785 5.549 1.00 0.00 C ATOM 1380 O ARG A 534 -8.937 -9.411 4.781 1.00 0.00 O ATOM 1381 CB ARG A 534 -8.831 -12.161 5.530 1.00 0.00 C ATOM 1382 CG ARG A 534 -8.010 -12.499 4.296 1.00 0.00 C ATOM 1383 CD ARG A 534 -6.731 -13.235 4.662 1.00 0.00 C ATOM 1384 NE ARG A 534 -6.293 -14.135 3.598 1.00 0.00 N ATOM 1385 CZ ARG A 534 -5.757 -13.717 2.457 1.00 0.00 C ATOM 1386 NH1 ARG A 534 -5.593 -12.421 2.233 1.00 0.00 N ATOM 1387 NH2 ARG A 534 -5.384 -14.597 1.536 1.00 0.00 N ATOM 0 H ARG A 534 -10.048 -10.674 7.343 1.00 0.00 H new ATOM 0 HA ARG A 534 -7.239 -11.366 6.738 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -8.942 -13.058 6.139 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -9.832 -11.861 5.219 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -8.604 -13.114 3.620 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -7.763 -11.583 3.760 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -5.944 -12.511 4.871 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -6.890 -13.806 5.577 1.00 0.00 H new ATOM 0 HE ARG A 534 -6.405 -15.139 3.739 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -5.879 -11.741 2.938 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -5.181 -12.103 1.356 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -5.509 -15.595 1.704 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -4.972 -14.275 0.660 1.00 0.00 H new ATOM 1401 N LEU A 535 -6.905 -9.130 5.704 1.00 0.00 N ATOM 1402 CA LEU A 535 -6.617 -7.906 4.964 1.00 0.00 C ATOM 1403 C LEU A 535 -6.583 -8.173 3.462 1.00 0.00 C ATOM 1404 O LEU A 535 -6.225 -9.266 3.023 1.00 0.00 O ATOM 1405 CB LEU A 535 -5.282 -7.314 5.418 1.00 0.00 C ATOM 1406 CG LEU A 535 -5.259 -6.707 6.821 1.00 0.00 C ATOM 1407 CD1 LEU A 535 -3.837 -6.356 7.228 1.00 0.00 C ATOM 1408 CD2 LEU A 535 -6.153 -5.477 6.885 1.00 0.00 C ATOM 0 H LEU A 535 -6.161 -9.426 6.335 1.00 0.00 H new ATOM 0 HA LEU A 535 -7.413 -7.191 5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 535 -4.525 -8.097 5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 535 -4.988 -6.543 4.706 1.00 0.00 H new ATOM 0 HG LEU A 535 -5.643 -7.448 7.522 1.00 0.00 H new ATOM 0 HD11 LEU A 535 -3.841 -5.925 8.229 1.00 0.00 H new ATOM 0 HD12 LEU A 535 -3.224 -7.257 7.223 1.00 0.00 H new ATOM 0 HD13 LEU A 535 -3.425 -5.633 6.524 1.00 0.00 H new ATOM 0 HD21 LEU A 535 -6.124 -5.058 7.891 1.00 0.00 H new ATOM 0 HD22 LEU A 535 -5.799 -4.733 6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 535 -7.177 -5.758 6.638 1.00 0.00 H new ATOM 1420 N VAL A 536 -6.957 -7.167 2.679 1.00 0.00 N ATOM 1421 CA VAL A 536 -6.967 -7.291 1.226 1.00 0.00 C ATOM 1422 C VAL A 536 -5.765 -6.587 0.606 1.00 0.00 C ATOM 1423 O VAL A 536 -5.569 -5.386 0.796 1.00 0.00 O ATOM 1424 CB VAL A 536 -8.258 -6.708 0.621 1.00 0.00 C ATOM 1425 CG1 VAL A 536 -8.090 -6.477 -0.873 1.00 0.00 C ATOM 1426 CG2 VAL A 536 -9.437 -7.628 0.897 1.00 0.00 C ATOM 0 H VAL A 536 -7.257 -6.256 3.026 1.00 0.00 H new ATOM 0 HA VAL A 536 -6.918 -8.356 0.999 1.00 0.00 H new ATOM 0 HB VAL A 536 -8.458 -5.746 1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 536 -9.012 -6.065 -1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 536 -7.272 -5.777 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 536 -7.865 -7.424 -1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 536 -10.341 -7.201 0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 536 -9.248 -8.605 0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -9.569 -7.738 1.973 1.00 0.00 H new ATOM 1436 N LEU A 537 -4.962 -7.342 -0.136 1.00 0.00 N ATOM 1437 CA LEU A 537 -3.778 -6.790 -0.786 1.00 0.00 C ATOM 1438 C LEU A 537 -4.066 -6.452 -2.245 1.00 0.00 C ATOM 1439 O LEU A 537 -4.486 -7.311 -3.020 1.00 0.00 O ATOM 1440 CB LEU A 537 -2.617 -7.782 -0.700 1.00 0.00 C ATOM 1441 CG LEU A 537 -1.715 -7.654 0.528 1.00 0.00 C ATOM 1442 CD1 LEU A 537 -0.811 -6.437 0.403 1.00 0.00 C ATOM 1443 CD2 LEU A 537 -2.551 -7.571 1.797 1.00 0.00 C ATOM 0 H LEU A 537 -5.109 -8.338 -0.302 1.00 0.00 H new ATOM 0 HA LEU A 537 -3.503 -5.872 -0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -3.026 -8.792 -0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -2.001 -7.668 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 537 -1.087 -8.543 0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 537 -0.177 -6.363 1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 537 -0.187 -6.537 -0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -1.421 -5.538 0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 537 -1.893 -7.480 2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 537 -3.205 -6.700 1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 537 -3.155 -8.473 1.894 1.00 0.00 H new ATOM 1455 N GLU A 538 -3.835 -5.196 -2.613 1.00 0.00 N ATOM 1456 CA GLU A 538 -4.068 -4.745 -3.980 1.00 0.00 C ATOM 1457 C GLU A 538 -3.110 -3.617 -4.352 1.00 0.00 C ATOM 1458 O GLU A 538 -2.956 -2.649 -3.607 1.00 0.00 O ATOM 1459 CB GLU A 538 -5.515 -4.276 -4.146 1.00 0.00 C ATOM 1460 CG GLU A 538 -6.490 -5.404 -4.440 1.00 0.00 C ATOM 1461 CD GLU A 538 -6.364 -5.930 -5.856 1.00 0.00 C ATOM 1462 OE1 GLU A 538 -6.899 -5.280 -6.780 1.00 0.00 O ATOM 1463 OE2 GLU A 538 -5.733 -6.991 -6.042 1.00 0.00 O ATOM 0 H GLU A 538 -3.487 -4.473 -1.984 1.00 0.00 H new ATOM 0 HA GLU A 538 -3.887 -5.587 -4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 538 -5.829 -3.764 -3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 538 -5.561 -3.547 -4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 538 -6.319 -6.219 -3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 538 -7.508 -5.051 -4.277 1.00 0.00 H new ATOM 1470 N TRP A 539 -2.470 -3.750 -5.508 1.00 0.00 N ATOM 1471 CA TRP A 539 -1.527 -2.742 -5.979 1.00 0.00 C ATOM 1472 C TRP A 539 -2.258 -1.490 -6.451 1.00 0.00 C ATOM 1473 O TRP A 539 -2.908 -1.497 -7.496 1.00 0.00 O ATOM 1474 CB TRP A 539 -0.671 -3.306 -7.114 1.00 0.00 C ATOM 1475 CG TRP A 539 0.318 -4.336 -6.657 1.00 0.00 C ATOM 1476 CD1 TRP A 539 0.131 -5.688 -6.614 1.00 0.00 C ATOM 1477 CD2 TRP A 539 1.645 -4.096 -6.178 1.00 0.00 C ATOM 1478 NE1 TRP A 539 1.263 -6.303 -6.136 1.00 0.00 N ATOM 1479 CE2 TRP A 539 2.207 -5.349 -5.862 1.00 0.00 C ATOM 1480 CE3 TRP A 539 2.415 -2.946 -5.987 1.00 0.00 C ATOM 1481 CZ2 TRP A 539 3.501 -5.480 -5.365 1.00 0.00 C ATOM 1482 CZ3 TRP A 539 3.699 -3.077 -5.493 1.00 0.00 C ATOM 1483 CH2 TRP A 539 4.232 -4.337 -5.187 1.00 0.00 C ATOM 0 H TRP A 539 -2.587 -4.545 -6.136 1.00 0.00 H new ATOM 0 HA TRP A 539 -0.879 -2.469 -5.146 1.00 0.00 H new ATOM 0 HB2 TRP A 539 -1.324 -3.748 -7.867 1.00 0.00 H new ATOM 0 HB3 TRP A 539 -0.136 -2.488 -7.597 1.00 0.00 H new ATOM 0 HD1 TRP A 539 -0.773 -6.198 -6.912 1.00 0.00 H new ATOM 0 HE1 TRP A 539 1.381 -7.308 -6.006 1.00 0.00 H new ATOM 0 HE3 TRP A 539 2.014 -1.971 -6.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 539 3.913 -6.450 -5.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 539 4.302 -2.194 -5.340 1.00 0.00 H new ATOM 0 HH2 TRP A 539 5.239 -4.407 -4.803 1.00 0.00 H new