USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 535 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 490 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 497 TYR OH : rot 180:sc= 0 USER MOD Single : A 439 HIS : no HD1:sc= -0.382 X(o=-0.38,f=-0.31) USER MOD Single : A 442 HIS : no HD1:sc= -17.1! C(o=-17!,f=-15!) USER MOD Single : A 444 THR OG1 : rot 180:sc= 0 USER MOD Single : A 447 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0282) USER MOD Single : A 450 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 451 THR OG1 : rot -70:sc= -0.0195 USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 455 TYR OH : rot 180:sc= 0 USER MOD Single : A 456 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.13) USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 463 ASN : amide:sc= -0.0873 K(o=-0.087,f=-1.6!) USER MOD Single : A 465 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.8!) USER MOD Single : A 467 SER OG : rot 180:sc= 0 USER MOD Single : A 472 THR OG1 : rot -64:sc= 0.0418 USER MOD Single : A 473 SER OG : rot 180:sc= -0.0582 USER MOD Single : A 477 SER OG : rot 26:sc= -0.806! USER MOD Single : A 479 SER OG : rot 180:sc= 0 USER MOD Single : A 480 GLN : amide:sc= -0.904 X(o=-0.9,f=-1.1) USER MOD Single : A 483 GLN : amide:sc= -3.56! C(o=-3.6!,f=-7.8!) USER MOD Single : A 485 GLN : amide:sc= -2.31 K(o=-2.3,f=-1.7) USER MOD Single : A 489 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 491 SER OG : rot -57:sc= 0.196 USER MOD Single : A 492 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0242) USER MOD Single : A 493 TYR OH : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot 180:sc= 0 USER MOD Single : A 500 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 501 THR OG1 : rot 180:sc= -0.878 USER MOD Single : A 502 TYR OH : rot 180:sc= 0 USER MOD Single : A 505 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 207 N HIS A 439 -5.966 9.167 6.555 1.00 0.00 N ATOM 208 CA HIS A 439 -5.003 8.479 5.702 1.00 0.00 C ATOM 209 C HIS A 439 -4.536 7.178 6.348 1.00 0.00 C ATOM 210 O HIS A 439 -4.219 6.209 5.658 1.00 0.00 O ATOM 211 CB HIS A 439 -3.801 9.383 5.422 1.00 0.00 C ATOM 212 CG HIS A 439 -3.486 10.325 6.543 1.00 0.00 C ATOM 213 ND1 HIS A 439 -4.113 11.543 6.701 1.00 0.00 N ATOM 214 CD2 HIS A 439 -2.606 10.221 7.566 1.00 0.00 C ATOM 215 CE1 HIS A 439 -3.631 12.148 7.772 1.00 0.00 C ATOM 216 NE2 HIS A 439 -2.715 11.367 8.315 1.00 0.00 N ATOM 0 HA HIS A 439 -5.496 8.239 4.760 1.00 0.00 H new ATOM 0 HB2 HIS A 439 -2.928 8.761 5.224 1.00 0.00 H new ATOM 0 HB3 HIS A 439 -3.993 9.959 4.517 1.00 0.00 H new ATOM 0 HD2 HIS A 439 -1.942 9.391 7.758 1.00 0.00 H new ATOM 0 HE1 HIS A 439 -3.935 13.117 8.141 1.00 0.00 H new ATOM 0 HE2 HIS A 439 -2.176 11.580 9.154 1.00 0.00 H new ATOM 225 N VAL A 440 -4.497 7.164 7.677 1.00 0.00 N ATOM 226 CA VAL A 440 -4.070 5.982 8.416 1.00 0.00 C ATOM 227 C VAL A 440 -5.164 4.920 8.434 1.00 0.00 C ATOM 228 O VAL A 440 -6.353 5.239 8.492 1.00 0.00 O ATOM 229 CB VAL A 440 -3.688 6.335 9.866 1.00 0.00 C ATOM 230 CG1 VAL A 440 -3.303 5.081 10.637 1.00 0.00 C ATOM 231 CG2 VAL A 440 -2.557 7.352 9.886 1.00 0.00 C ATOM 0 H VAL A 440 -4.756 7.958 8.263 1.00 0.00 H new ATOM 0 HA VAL A 440 -3.193 5.587 7.903 1.00 0.00 H new ATOM 0 HB VAL A 440 -4.555 6.781 10.354 1.00 0.00 H new ATOM 0 HG11 VAL A 440 -3.036 5.350 11.659 1.00 0.00 H new ATOM 0 HG12 VAL A 440 -4.146 4.390 10.652 1.00 0.00 H new ATOM 0 HG13 VAL A 440 -2.451 4.604 10.153 1.00 0.00 H new ATOM 0 HG21 VAL A 440 -2.300 7.590 10.918 1.00 0.00 H new ATOM 0 HG22 VAL A 440 -1.685 6.936 9.381 1.00 0.00 H new ATOM 0 HG23 VAL A 440 -2.875 8.260 9.373 1.00 0.00 H new ATOM 241 N LEU A 441 -4.756 3.657 8.386 1.00 0.00 N ATOM 242 CA LEU A 441 -5.701 2.546 8.398 1.00 0.00 C ATOM 243 C LEU A 441 -5.264 1.469 9.385 1.00 0.00 C ATOM 244 O LEU A 441 -4.114 1.030 9.371 1.00 0.00 O ATOM 245 CB LEU A 441 -5.832 1.947 6.996 1.00 0.00 C ATOM 246 CG LEU A 441 -5.945 2.948 5.846 1.00 0.00 C ATOM 247 CD1 LEU A 441 -5.581 2.288 4.526 1.00 0.00 C ATOM 248 CD2 LEU A 441 -7.349 3.532 5.783 1.00 0.00 C ATOM 0 H LEU A 441 -3.776 3.376 8.338 1.00 0.00 H new ATOM 0 HA LEU A 441 -6.671 2.930 8.715 1.00 0.00 H new ATOM 0 HB2 LEU A 441 -4.967 1.310 6.813 1.00 0.00 H new ATOM 0 HB3 LEU A 441 -6.711 1.303 6.978 1.00 0.00 H new ATOM 0 HG LEU A 441 -5.242 3.761 6.028 1.00 0.00 H new ATOM 0 HD11 LEU A 441 -5.667 3.016 3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 441 -4.556 1.919 4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 441 -6.258 1.455 4.337 1.00 0.00 H new ATOM 0 HD21 LEU A 441 -7.411 4.242 4.959 1.00 0.00 H new ATOM 0 HD22 LEU A 441 -8.070 2.730 5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 441 -7.573 4.043 6.720 1.00 0.00 H new ATOM 260 N HIS A 442 -6.189 1.046 10.240 1.00 0.00 N ATOM 261 CA HIS A 442 -5.900 0.018 11.233 1.00 0.00 C ATOM 262 C HIS A 442 -6.134 -1.375 10.656 1.00 0.00 C ATOM 263 O HIS A 442 -7.274 -1.782 10.432 1.00 0.00 O ATOM 264 CB HIS A 442 -6.768 0.220 12.476 1.00 0.00 C ATOM 265 CG HIS A 442 -6.326 -0.593 13.653 1.00 0.00 C ATOM 266 ND1 HIS A 442 -6.757 -1.883 13.881 1.00 0.00 N ATOM 267 CD2 HIS A 442 -5.486 -0.293 14.671 1.00 0.00 C ATOM 268 CE1 HIS A 442 -6.202 -2.341 14.989 1.00 0.00 C ATOM 269 NE2 HIS A 442 -5.426 -1.396 15.488 1.00 0.00 N ATOM 0 H HIS A 442 -7.146 1.399 10.265 1.00 0.00 H new ATOM 0 HA HIS A 442 -4.851 0.105 11.514 1.00 0.00 H new ATOM 0 HB2 HIS A 442 -6.757 1.275 12.749 1.00 0.00 H new ATOM 0 HB3 HIS A 442 -7.800 -0.036 12.234 1.00 0.00 H new ATOM 0 HD2 HIS A 442 -4.961 0.640 14.814 1.00 0.00 H new ATOM 0 HE1 HIS A 442 -6.357 -3.322 15.414 1.00 0.00 H new ATOM 0 HE2 HIS A 442 -4.872 -1.473 16.341 1.00 0.00 H new ATOM 278 N VAL A 443 -5.046 -2.102 10.418 1.00 0.00 N ATOM 279 CA VAL A 443 -5.133 -3.449 9.867 1.00 0.00 C ATOM 280 C VAL A 443 -4.681 -4.489 10.886 1.00 0.00 C ATOM 281 O VAL A 443 -3.583 -4.398 11.438 1.00 0.00 O ATOM 282 CB VAL A 443 -4.280 -3.590 8.592 1.00 0.00 C ATOM 283 CG1 VAL A 443 -4.447 -4.977 7.989 1.00 0.00 C ATOM 284 CG2 VAL A 443 -4.648 -2.513 7.583 1.00 0.00 C ATOM 0 H VAL A 443 -4.095 -1.780 10.598 1.00 0.00 H new ATOM 0 HA VAL A 443 -6.179 -3.622 9.616 1.00 0.00 H new ATOM 0 HB VAL A 443 -3.232 -3.460 8.861 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -3.837 -5.058 7.089 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -4.129 -5.729 8.712 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -5.494 -5.139 7.733 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -4.036 -2.628 6.689 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -5.701 -2.608 7.317 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.472 -1.530 8.020 1.00 0.00 H new ATOM 294 N THR A 444 -5.533 -5.479 11.132 1.00 0.00 N ATOM 295 CA THR A 444 -5.222 -6.537 12.085 1.00 0.00 C ATOM 296 C THR A 444 -5.078 -7.883 11.384 1.00 0.00 C ATOM 297 O THR A 444 -6.066 -8.481 10.957 1.00 0.00 O ATOM 298 CB THR A 444 -6.307 -6.650 13.172 1.00 0.00 C ATOM 299 OG1 THR A 444 -7.604 -6.472 12.591 1.00 0.00 O ATOM 300 CG2 THR A 444 -6.089 -5.614 14.265 1.00 0.00 C ATOM 0 H THR A 444 -6.445 -5.570 10.684 1.00 0.00 H new ATOM 0 HA THR A 444 -4.275 -6.272 12.554 1.00 0.00 H new ATOM 0 HB THR A 444 -6.242 -7.643 13.617 1.00 0.00 H new ATOM 0 HG1 THR A 444 -8.288 -6.547 13.289 1.00 0.00 H new ATOM 0 HG21 THR A 444 -6.868 -5.714 15.021 1.00 0.00 H new ATOM 0 HG22 THR A 444 -5.114 -5.771 14.726 1.00 0.00 H new ATOM 0 HG23 THR A 444 -6.129 -4.614 13.832 1.00 0.00 H new ATOM 308 N PHE A 445 -3.842 -8.356 11.270 1.00 0.00 N ATOM 309 CA PHE A 445 -3.568 -9.633 10.621 1.00 0.00 C ATOM 310 C PHE A 445 -2.911 -10.608 11.593 1.00 0.00 C ATOM 311 O PHE A 445 -2.319 -10.217 12.599 1.00 0.00 O ATOM 312 CB PHE A 445 -2.668 -9.427 9.401 1.00 0.00 C ATOM 313 CG PHE A 445 -1.608 -8.383 9.608 1.00 0.00 C ATOM 314 CD1 PHE A 445 -0.399 -8.712 10.199 1.00 0.00 C ATOM 315 CD2 PHE A 445 -1.821 -7.072 9.211 1.00 0.00 C ATOM 316 CE1 PHE A 445 0.577 -7.753 10.391 1.00 0.00 C ATOM 317 CE2 PHE A 445 -0.848 -6.109 9.400 1.00 0.00 C ATOM 318 CZ PHE A 445 0.353 -6.450 9.990 1.00 0.00 C ATOM 0 H PHE A 445 -3.013 -7.874 11.619 1.00 0.00 H new ATOM 0 HA PHE A 445 -4.518 -10.057 10.296 1.00 0.00 H new ATOM 0 HB2 PHE A 445 -2.190 -10.373 9.148 1.00 0.00 H new ATOM 0 HB3 PHE A 445 -3.285 -9.143 8.548 1.00 0.00 H new ATOM 0 HD1 PHE A 445 -0.217 -9.729 10.513 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -2.758 -6.800 8.749 1.00 0.00 H new ATOM 0 HE1 PHE A 445 1.515 -8.022 10.854 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -1.027 -5.091 9.087 1.00 0.00 H new ATOM 0 HZ PHE A 445 1.116 -5.700 10.138 1.00 0.00 H new ATOM 328 N PRO A 446 -3.018 -11.910 11.287 1.00 0.00 N ATOM 329 CA PRO A 446 -2.441 -12.968 12.121 1.00 0.00 C ATOM 330 C PRO A 446 -0.917 -12.981 12.069 1.00 0.00 C ATOM 331 O PRO A 446 -0.317 -12.651 11.046 1.00 0.00 O ATOM 332 CB PRO A 446 -3.007 -14.251 11.507 1.00 0.00 C ATOM 333 CG PRO A 446 -3.303 -13.896 10.091 1.00 0.00 C ATOM 334 CD PRO A 446 -3.710 -12.448 10.104 1.00 0.00 C ATOM 0 HA PRO A 446 -2.688 -12.837 13.174 1.00 0.00 H new ATOM 0 HB2 PRO A 446 -2.289 -15.069 11.568 1.00 0.00 H new ATOM 0 HB3 PRO A 446 -3.906 -14.576 12.030 1.00 0.00 H new ATOM 0 HG2 PRO A 446 -2.428 -14.050 9.459 1.00 0.00 H new ATOM 0 HG3 PRO A 446 -4.100 -14.522 9.690 1.00 0.00 H new ATOM 0 HD2 PRO A 446 -3.403 -11.936 9.192 1.00 0.00 H new ATOM 0 HD3 PRO A 446 -4.791 -12.335 10.185 1.00 0.00 H new ATOM 342 N LYS A 447 -0.295 -13.364 13.179 1.00 0.00 N ATOM 343 CA LYS A 447 1.160 -13.421 13.261 1.00 0.00 C ATOM 344 C LYS A 447 1.745 -14.144 12.051 1.00 0.00 C ATOM 345 O LYS A 447 2.770 -13.734 11.509 1.00 0.00 O ATOM 346 CB LYS A 447 1.591 -14.128 14.548 1.00 0.00 C ATOM 347 CG LYS A 447 1.242 -15.606 14.577 1.00 0.00 C ATOM 348 CD LYS A 447 1.462 -16.204 15.957 1.00 0.00 C ATOM 349 CE LYS A 447 1.227 -17.706 15.957 1.00 0.00 C ATOM 350 NZ LYS A 447 2.327 -18.440 15.273 1.00 0.00 N ATOM 0 H LYS A 447 -0.776 -13.640 14.035 1.00 0.00 H new ATOM 0 HA LYS A 447 1.539 -12.399 13.270 1.00 0.00 H new ATOM 0 HB2 LYS A 447 2.668 -14.015 14.671 1.00 0.00 H new ATOM 0 HB3 LYS A 447 1.120 -13.635 15.398 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.201 -15.741 14.283 1.00 0.00 H new ATOM 0 HG3 LYS A 447 1.851 -16.139 13.847 1.00 0.00 H new ATOM 0 HD2 LYS A 447 2.479 -15.994 16.288 1.00 0.00 H new ATOM 0 HD3 LYS A 447 0.790 -15.729 16.672 1.00 0.00 H new ATOM 0 HE2 LYS A 447 1.138 -18.060 16.984 1.00 0.00 H new ATOM 0 HE3 LYS A 447 0.281 -17.925 15.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 2.200 -19.463 15.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 2.309 -18.223 14.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 3.241 -18.147 15.673 1.00 0.00 H new ATOM 364 N GLU A 448 1.084 -15.220 11.634 1.00 0.00 N ATOM 365 CA GLU A 448 1.540 -15.998 10.488 1.00 0.00 C ATOM 366 C GLU A 448 1.987 -15.082 9.352 1.00 0.00 C ATOM 367 O GLU A 448 2.844 -15.447 8.547 1.00 0.00 O ATOM 368 CB GLU A 448 0.427 -16.927 10.000 1.00 0.00 C ATOM 369 CG GLU A 448 -0.707 -16.202 9.295 1.00 0.00 C ATOM 370 CD GLU A 448 -2.011 -16.974 9.341 1.00 0.00 C ATOM 371 OE1 GLU A 448 -2.215 -17.848 8.473 1.00 0.00 O ATOM 372 OE2 GLU A 448 -2.828 -16.704 10.247 1.00 0.00 O ATOM 0 H GLU A 448 0.233 -15.572 12.072 1.00 0.00 H new ATOM 0 HA GLU A 448 2.393 -16.599 10.805 1.00 0.00 H new ATOM 0 HB2 GLU A 448 0.853 -17.665 9.320 1.00 0.00 H new ATOM 0 HB3 GLU A 448 0.023 -17.474 10.852 1.00 0.00 H new ATOM 0 HG2 GLU A 448 -0.851 -15.225 9.756 1.00 0.00 H new ATOM 0 HG3 GLU A 448 -0.430 -16.026 8.256 1.00 0.00 H new ATOM 379 N TRP A 449 1.401 -13.892 9.294 1.00 0.00 N ATOM 380 CA TRP A 449 1.738 -12.924 8.256 1.00 0.00 C ATOM 381 C TRP A 449 3.172 -12.430 8.418 1.00 0.00 C ATOM 382 O TRP A 449 3.910 -12.908 9.279 1.00 0.00 O ATOM 383 CB TRP A 449 0.770 -11.740 8.300 1.00 0.00 C ATOM 384 CG TRP A 449 -0.543 -12.022 7.636 1.00 0.00 C ATOM 385 CD1 TRP A 449 -1.224 -13.206 7.635 1.00 0.00 C ATOM 386 CD2 TRP A 449 -1.333 -11.103 6.873 1.00 0.00 C ATOM 387 NE1 TRP A 449 -2.389 -13.078 6.918 1.00 0.00 N ATOM 388 CE2 TRP A 449 -2.480 -11.798 6.441 1.00 0.00 C ATOM 389 CE3 TRP A 449 -1.184 -9.761 6.515 1.00 0.00 C ATOM 390 CZ2 TRP A 449 -3.468 -11.194 5.669 1.00 0.00 C ATOM 391 CZ3 TRP A 449 -2.166 -9.163 5.748 1.00 0.00 C ATOM 392 CH2 TRP A 449 -3.297 -9.879 5.333 1.00 0.00 C ATOM 0 H TRP A 449 0.690 -13.574 9.953 1.00 0.00 H new ATOM 0 HA TRP A 449 1.651 -13.420 7.289 1.00 0.00 H new ATOM 0 HB2 TRP A 449 0.592 -11.464 9.339 1.00 0.00 H new ATOM 0 HB3 TRP A 449 1.236 -10.881 7.818 1.00 0.00 H new ATOM 0 HD1 TRP A 449 -0.895 -14.110 8.126 1.00 0.00 H new ATOM 0 HE1 TRP A 449 -3.075 -13.817 6.766 1.00 0.00 H new ATOM 0 HE3 TRP A 449 -0.317 -9.201 6.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 449 -4.339 -11.744 5.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 449 -2.060 -8.127 5.464 1.00 0.00 H new ATOM 0 HH2 TRP A 449 -4.048 -9.383 4.736 1.00 0.00 H new ATOM 403 N LYS A 450 3.560 -11.471 7.585 1.00 0.00 N ATOM 404 CA LYS A 450 4.905 -10.910 7.636 1.00 0.00 C ATOM 405 C LYS A 450 4.991 -9.626 6.818 1.00 0.00 C ATOM 406 O LYS A 450 4.097 -9.318 6.029 1.00 0.00 O ATOM 407 CB LYS A 450 5.924 -11.928 7.116 1.00 0.00 C ATOM 408 CG LYS A 450 5.713 -12.310 5.661 1.00 0.00 C ATOM 409 CD LYS A 450 6.188 -13.726 5.383 1.00 0.00 C ATOM 410 CE LYS A 450 7.686 -13.770 5.119 1.00 0.00 C ATOM 411 NZ LYS A 450 8.220 -15.158 5.185 1.00 0.00 N ATOM 0 H LYS A 450 2.961 -11.065 6.866 1.00 0.00 H new ATOM 0 HA LYS A 450 5.134 -10.673 8.675 1.00 0.00 H new ATOM 0 HB2 LYS A 450 6.927 -11.518 7.234 1.00 0.00 H new ATOM 0 HB3 LYS A 450 5.873 -12.827 7.730 1.00 0.00 H new ATOM 0 HG2 LYS A 450 4.656 -12.224 5.411 1.00 0.00 H new ATOM 0 HG3 LYS A 450 6.250 -11.612 5.019 1.00 0.00 H new ATOM 0 HD2 LYS A 450 5.948 -14.365 6.233 1.00 0.00 H new ATOM 0 HD3 LYS A 450 5.654 -14.128 4.522 1.00 0.00 H new ATOM 0 HE2 LYS A 450 7.894 -13.347 4.136 1.00 0.00 H new ATOM 0 HE3 LYS A 450 8.202 -13.147 5.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 450 9.243 -15.145 5.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 450 8.044 -15.553 6.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 450 7.746 -15.747 4.471 1.00 0.00 H new ATOM 425 N THR A 451 6.074 -8.879 7.009 1.00 0.00 N ATOM 426 CA THR A 451 6.277 -7.628 6.289 1.00 0.00 C ATOM 427 C THR A 451 6.070 -7.817 4.791 1.00 0.00 C ATOM 428 O THR A 451 5.712 -6.877 4.081 1.00 0.00 O ATOM 429 CB THR A 451 7.688 -7.061 6.534 1.00 0.00 C ATOM 430 OG1 THR A 451 7.965 -7.025 7.938 1.00 0.00 O ATOM 431 CG2 THR A 451 7.819 -5.663 5.949 1.00 0.00 C ATOM 0 H THR A 451 6.824 -9.119 7.657 1.00 0.00 H new ATOM 0 HA THR A 451 5.539 -6.921 6.669 1.00 0.00 H new ATOM 0 HB THR A 451 8.408 -7.713 6.039 1.00 0.00 H new ATOM 0 HG1 THR A 451 7.413 -6.336 8.363 1.00 0.00 H new ATOM 0 HG21 THR A 451 8.824 -5.284 6.135 1.00 0.00 H new ATOM 0 HG22 THR A 451 7.638 -5.700 4.875 1.00 0.00 H new ATOM 0 HG23 THR A 451 7.090 -5.003 6.418 1.00 0.00 H new ATOM 439 N SER A 452 6.297 -9.037 4.315 1.00 0.00 N ATOM 440 CA SER A 452 6.138 -9.348 2.900 1.00 0.00 C ATOM 441 C SER A 452 4.663 -9.365 2.509 1.00 0.00 C ATOM 442 O SER A 452 4.286 -8.877 1.444 1.00 0.00 O ATOM 443 CB SER A 452 6.778 -10.700 2.578 1.00 0.00 C ATOM 444 OG SER A 452 6.946 -10.865 1.180 1.00 0.00 O ATOM 0 H SER A 452 6.592 -9.827 4.889 1.00 0.00 H new ATOM 0 HA SER A 452 6.639 -8.570 2.324 1.00 0.00 H new ATOM 0 HB2 SER A 452 7.745 -10.776 3.075 1.00 0.00 H new ATOM 0 HB3 SER A 452 6.154 -11.504 2.970 1.00 0.00 H new ATOM 0 HG SER A 452 7.358 -11.736 1.001 1.00 0.00 H new ATOM 450 N ASP A 453 3.834 -9.930 3.380 1.00 0.00 N ATOM 451 CA ASP A 453 2.400 -10.010 3.128 1.00 0.00 C ATOM 452 C ASP A 453 1.772 -8.620 3.117 1.00 0.00 C ATOM 453 O ASP A 453 0.908 -8.324 2.289 1.00 0.00 O ATOM 454 CB ASP A 453 1.723 -10.881 4.187 1.00 0.00 C ATOM 455 CG ASP A 453 1.957 -12.361 3.956 1.00 0.00 C ATOM 456 OD1 ASP A 453 2.023 -12.775 2.779 1.00 0.00 O ATOM 457 OD2 ASP A 453 2.075 -13.105 4.951 1.00 0.00 O ATOM 0 H ASP A 453 4.130 -10.339 4.266 1.00 0.00 H new ATOM 0 HA ASP A 453 2.253 -10.463 2.148 1.00 0.00 H new ATOM 0 HB2 ASP A 453 2.098 -10.606 5.173 1.00 0.00 H new ATOM 0 HB3 ASP A 453 0.651 -10.681 4.187 1.00 0.00 H new ATOM 462 N LEU A 454 2.209 -7.771 4.040 1.00 0.00 N ATOM 463 CA LEU A 454 1.689 -6.412 4.138 1.00 0.00 C ATOM 464 C LEU A 454 2.055 -5.598 2.901 1.00 0.00 C ATOM 465 O LEU A 454 1.185 -5.204 2.124 1.00 0.00 O ATOM 466 CB LEU A 454 2.231 -5.726 5.393 1.00 0.00 C ATOM 467 CG LEU A 454 1.514 -6.058 6.702 1.00 0.00 C ATOM 468 CD1 LEU A 454 0.079 -5.557 6.666 1.00 0.00 C ATOM 469 CD2 LEU A 454 1.553 -7.556 6.966 1.00 0.00 C ATOM 0 H LEU A 454 2.923 -8.000 4.732 1.00 0.00 H new ATOM 0 HA LEU A 454 0.603 -6.469 4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 454 3.283 -5.990 5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 454 2.187 -4.648 5.241 1.00 0.00 H new ATOM 0 HG LEU A 454 2.032 -5.553 7.517 1.00 0.00 H new ATOM 0 HD11 LEU A 454 -0.416 -5.802 7.606 1.00 0.00 H new ATOM 0 HD12 LEU A 454 0.074 -4.476 6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 454 -0.452 -6.033 5.842 1.00 0.00 H new ATOM 0 HD21 LEU A 454 1.038 -7.774 7.902 1.00 0.00 H new ATOM 0 HD22 LEU A 454 1.060 -8.082 6.149 1.00 0.00 H new ATOM 0 HD23 LEU A 454 2.589 -7.886 7.037 1.00 0.00 H new ATOM 481 N TYR A 455 3.349 -5.353 2.723 1.00 0.00 N ATOM 482 CA TYR A 455 3.831 -4.586 1.580 1.00 0.00 C ATOM 483 C TYR A 455 3.211 -5.095 0.282 1.00 0.00 C ATOM 484 O TYR A 455 2.633 -4.325 -0.485 1.00 0.00 O ATOM 485 CB TYR A 455 5.356 -4.663 1.495 1.00 0.00 C ATOM 486 CG TYR A 455 6.062 -3.577 2.274 1.00 0.00 C ATOM 487 CD1 TYR A 455 5.725 -2.240 2.102 1.00 0.00 C ATOM 488 CD2 TYR A 455 7.067 -3.887 3.183 1.00 0.00 C ATOM 489 CE1 TYR A 455 6.367 -1.244 2.811 1.00 0.00 C ATOM 490 CE2 TYR A 455 7.713 -2.897 3.898 1.00 0.00 C ATOM 491 CZ TYR A 455 7.360 -1.577 3.708 1.00 0.00 C ATOM 492 OH TYR A 455 8.003 -0.589 4.417 1.00 0.00 O ATOM 0 H TYR A 455 4.082 -5.674 3.355 1.00 0.00 H new ATOM 0 HA TYR A 455 3.534 -3.547 1.720 1.00 0.00 H new ATOM 0 HB2 TYR A 455 5.683 -5.635 1.865 1.00 0.00 H new ATOM 0 HB3 TYR A 455 5.657 -4.602 0.449 1.00 0.00 H new ATOM 0 HD1 TYR A 455 4.947 -1.975 1.401 1.00 0.00 H new ATOM 0 HD2 TYR A 455 7.348 -4.919 3.333 1.00 0.00 H new ATOM 0 HE1 TYR A 455 6.093 -0.210 2.664 1.00 0.00 H new ATOM 0 HE2 TYR A 455 8.490 -3.155 4.602 1.00 0.00 H new ATOM 0 HH TYR A 455 8.674 -0.993 5.006 1.00 0.00 H new ATOM 502 N GLN A 456 3.336 -6.396 0.045 1.00 0.00 N ATOM 503 CA GLN A 456 2.789 -7.009 -1.160 1.00 0.00 C ATOM 504 C GLN A 456 1.305 -6.689 -1.307 1.00 0.00 C ATOM 505 O GLN A 456 0.861 -6.218 -2.355 1.00 0.00 O ATOM 506 CB GLN A 456 2.995 -8.524 -1.126 1.00 0.00 C ATOM 507 CG GLN A 456 4.416 -8.952 -1.456 1.00 0.00 C ATOM 508 CD GLN A 456 4.805 -8.632 -2.886 1.00 0.00 C ATOM 509 OE1 GLN A 456 4.265 -9.206 -3.832 1.00 0.00 O ATOM 510 NE2 GLN A 456 5.745 -7.709 -3.051 1.00 0.00 N ATOM 0 H GLN A 456 3.811 -7.046 0.671 1.00 0.00 H new ATOM 0 HA GLN A 456 3.318 -6.597 -2.019 1.00 0.00 H new ATOM 0 HB2 GLN A 456 2.733 -8.896 -0.135 1.00 0.00 H new ATOM 0 HB3 GLN A 456 2.310 -8.991 -1.833 1.00 0.00 H new ATOM 0 HG2 GLN A 456 5.108 -8.456 -0.776 1.00 0.00 H new ATOM 0 HG3 GLN A 456 4.517 -10.024 -1.287 1.00 0.00 H new ATOM 0 HE21 GLN A 456 6.166 -7.259 -2.238 1.00 0.00 H new ATOM 0 HE22 GLN A 456 6.046 -7.450 -3.990 1.00 0.00 H new ATOM 519 N LEU A 457 0.541 -6.948 -0.251 1.00 0.00 N ATOM 520 CA LEU A 457 -0.894 -6.687 -0.262 1.00 0.00 C ATOM 521 C LEU A 457 -1.182 -5.241 -0.652 1.00 0.00 C ATOM 522 O LEU A 457 -1.762 -4.974 -1.704 1.00 0.00 O ATOM 523 CB LEU A 457 -1.498 -6.988 1.111 1.00 0.00 C ATOM 524 CG LEU A 457 -3.018 -6.869 1.216 1.00 0.00 C ATOM 525 CD1 LEU A 457 -3.683 -8.187 0.849 1.00 0.00 C ATOM 526 CD2 LEU A 457 -3.424 -6.437 2.617 1.00 0.00 C ATOM 0 H LEU A 457 0.892 -7.339 0.624 1.00 0.00 H new ATOM 0 HA LEU A 457 -1.351 -7.341 -1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -1.212 -8.000 1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -1.050 -6.312 1.839 1.00 0.00 H new ATOM 0 HG LEU A 457 -3.353 -6.108 0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -4.765 -8.083 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -3.419 -8.455 -0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -3.342 -8.968 1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -4.510 -6.358 2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -3.076 -7.175 3.340 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -2.977 -5.469 2.843 1.00 0.00 H new ATOM 538 N PHE A 458 -0.771 -4.310 0.203 1.00 0.00 N ATOM 539 CA PHE A 458 -0.984 -2.890 -0.052 1.00 0.00 C ATOM 540 C PHE A 458 -0.181 -2.429 -1.265 1.00 0.00 C ATOM 541 O PHE A 458 -0.345 -1.306 -1.740 1.00 0.00 O ATOM 542 CB PHE A 458 -0.593 -2.066 1.176 1.00 0.00 C ATOM 543 CG PHE A 458 -1.674 -1.987 2.215 1.00 0.00 C ATOM 544 CD1 PHE A 458 -1.804 -2.978 3.176 1.00 0.00 C ATOM 545 CD2 PHE A 458 -2.562 -0.923 2.232 1.00 0.00 C ATOM 546 CE1 PHE A 458 -2.799 -2.908 4.132 1.00 0.00 C ATOM 547 CE2 PHE A 458 -3.559 -0.848 3.186 1.00 0.00 C ATOM 548 CZ PHE A 458 -3.676 -1.842 4.139 1.00 0.00 C ATOM 0 H PHE A 458 -0.289 -4.513 1.078 1.00 0.00 H new ATOM 0 HA PHE A 458 -2.043 -2.738 -0.261 1.00 0.00 H new ATOM 0 HB2 PHE A 458 0.300 -2.500 1.625 1.00 0.00 H new ATOM 0 HB3 PHE A 458 -0.332 -1.057 0.858 1.00 0.00 H new ATOM 0 HD1 PHE A 458 -1.120 -3.814 3.177 1.00 0.00 H new ATOM 0 HD2 PHE A 458 -2.474 -0.143 1.490 1.00 0.00 H new ATOM 0 HE1 PHE A 458 -2.891 -3.687 4.874 1.00 0.00 H new ATOM 0 HE2 PHE A 458 -4.245 -0.014 3.187 1.00 0.00 H new ATOM 0 HZ PHE A 458 -4.452 -1.785 4.888 1.00 0.00 H new ATOM 558 N SER A 459 0.687 -3.306 -1.760 1.00 0.00 N ATOM 559 CA SER A 459 1.519 -2.988 -2.914 1.00 0.00 C ATOM 560 C SER A 459 0.693 -2.330 -4.015 1.00 0.00 C ATOM 561 O SER A 459 1.179 -1.457 -4.733 1.00 0.00 O ATOM 562 CB SER A 459 2.188 -4.255 -3.452 1.00 0.00 C ATOM 563 OG SER A 459 3.244 -3.936 -4.341 1.00 0.00 O ATOM 0 H SER A 459 0.832 -4.241 -1.380 1.00 0.00 H new ATOM 0 HA SER A 459 2.289 -2.287 -2.593 1.00 0.00 H new ATOM 0 HB2 SER A 459 2.574 -4.847 -2.622 1.00 0.00 H new ATOM 0 HB3 SER A 459 1.449 -4.870 -3.966 1.00 0.00 H new ATOM 0 HG SER A 459 3.656 -4.762 -4.669 1.00 0.00 H new ATOM 569 N ALA A 460 -0.560 -2.756 -4.141 1.00 0.00 N ATOM 570 CA ALA A 460 -1.456 -2.208 -5.151 1.00 0.00 C ATOM 571 C ALA A 460 -1.285 -0.697 -5.275 1.00 0.00 C ATOM 572 O ALA A 460 -1.294 -0.149 -6.377 1.00 0.00 O ATOM 573 CB ALA A 460 -2.900 -2.553 -4.820 1.00 0.00 C ATOM 0 H ALA A 460 -0.977 -3.479 -3.555 1.00 0.00 H new ATOM 0 HA ALA A 460 -1.199 -2.656 -6.111 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -3.558 -2.137 -5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -3.018 -3.636 -4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -3.161 -2.133 -3.848 1.00 0.00 H new ATOM 579 N PHE A 461 -1.131 -0.029 -4.136 1.00 0.00 N ATOM 580 CA PHE A 461 -0.961 1.419 -4.117 1.00 0.00 C ATOM 581 C PHE A 461 0.487 1.800 -4.412 1.00 0.00 C ATOM 582 O PHE A 461 0.757 2.651 -5.258 1.00 0.00 O ATOM 583 CB PHE A 461 -1.383 1.985 -2.760 1.00 0.00 C ATOM 584 CG PHE A 461 -2.710 1.468 -2.281 1.00 0.00 C ATOM 585 CD1 PHE A 461 -3.850 1.630 -3.051 1.00 0.00 C ATOM 586 CD2 PHE A 461 -2.816 0.821 -1.061 1.00 0.00 C ATOM 587 CE1 PHE A 461 -5.072 1.154 -2.614 1.00 0.00 C ATOM 588 CE2 PHE A 461 -4.035 0.343 -0.618 1.00 0.00 C ATOM 589 CZ PHE A 461 -5.165 0.511 -1.395 1.00 0.00 C ATOM 0 H PHE A 461 -1.120 -0.467 -3.215 1.00 0.00 H new ATOM 0 HA PHE A 461 -1.596 1.845 -4.894 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -0.619 1.743 -2.021 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -1.428 3.072 -2.827 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -3.783 2.134 -4.004 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -1.936 0.688 -0.449 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -5.953 1.285 -3.225 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.104 -0.161 0.335 1.00 0.00 H new ATOM 0 HZ PHE A 461 -6.119 0.140 -1.050 1.00 0.00 H new ATOM 599 N GLY A 462 1.416 1.163 -3.705 1.00 0.00 N ATOM 600 CA GLY A 462 2.825 1.449 -3.904 1.00 0.00 C ATOM 601 C GLY A 462 3.581 1.574 -2.596 1.00 0.00 C ATOM 602 O GLY A 462 3.176 1.011 -1.580 1.00 0.00 O ATOM 0 H GLY A 462 1.218 0.454 -2.998 1.00 0.00 H new ATOM 0 HA2 GLY A 462 3.272 0.657 -4.504 1.00 0.00 H new ATOM 0 HA3 GLY A 462 2.928 2.375 -4.470 1.00 0.00 H new ATOM 606 N ASN A 463 4.685 2.314 -2.621 1.00 0.00 N ATOM 607 CA ASN A 463 5.502 2.509 -1.429 1.00 0.00 C ATOM 608 C ASN A 463 4.650 2.998 -0.261 1.00 0.00 C ATOM 609 O ASN A 463 3.937 3.995 -0.374 1.00 0.00 O ATOM 610 CB ASN A 463 6.623 3.511 -1.711 1.00 0.00 C ATOM 611 CG ASN A 463 7.828 2.862 -2.364 1.00 0.00 C ATOM 612 OD1 ASN A 463 8.103 1.681 -2.149 1.00 0.00 O ATOM 613 ND2 ASN A 463 8.553 3.633 -3.166 1.00 0.00 N ATOM 0 H ASN A 463 5.034 2.788 -3.454 1.00 0.00 H new ATOM 0 HA ASN A 463 5.942 1.549 -1.159 1.00 0.00 H new ATOM 0 HB2 ASN A 463 6.245 4.302 -2.358 1.00 0.00 H new ATOM 0 HB3 ASN A 463 6.929 3.982 -0.777 1.00 0.00 H new ATOM 0 HD21 ASN A 463 9.376 3.252 -3.633 1.00 0.00 H new ATOM 0 HD22 ASN A 463 8.287 4.606 -3.315 1.00 0.00 H new ATOM 620 N ILE A 464 4.731 2.289 0.860 1.00 0.00 N ATOM 621 CA ILE A 464 3.970 2.652 2.049 1.00 0.00 C ATOM 622 C ILE A 464 4.810 2.488 3.311 1.00 0.00 C ATOM 623 O ILE A 464 5.938 1.999 3.258 1.00 0.00 O ATOM 624 CB ILE A 464 2.694 1.799 2.182 1.00 0.00 C ATOM 625 CG1 ILE A 464 3.056 0.344 2.487 1.00 0.00 C ATOM 626 CG2 ILE A 464 1.862 1.889 0.911 1.00 0.00 C ATOM 627 CD1 ILE A 464 1.911 -0.453 3.073 1.00 0.00 C ATOM 0 H ILE A 464 5.316 1.460 0.970 1.00 0.00 H new ATOM 0 HA ILE A 464 3.689 3.699 1.936 1.00 0.00 H new ATOM 0 HB ILE A 464 2.100 2.187 3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 464 3.392 -0.139 1.569 1.00 0.00 H new ATOM 0 HG13 ILE A 464 3.895 0.325 3.183 1.00 0.00 H new ATOM 0 HG21 ILE A 464 0.964 1.281 1.020 1.00 0.00 H new ATOM 0 HG22 ILE A 464 1.579 2.927 0.734 1.00 0.00 H new ATOM 0 HG23 ILE A 464 2.447 1.524 0.067 1.00 0.00 H new ATOM 0 HD11 ILE A 464 2.239 -1.475 3.264 1.00 0.00 H new ATOM 0 HD12 ILE A 464 1.589 0.006 4.008 1.00 0.00 H new ATOM 0 HD13 ILE A 464 1.078 -0.465 2.370 1.00 0.00 H new ATOM 639 N GLN A 465 4.252 2.900 4.445 1.00 0.00 N ATOM 640 CA GLN A 465 4.950 2.798 5.721 1.00 0.00 C ATOM 641 C GLN A 465 4.205 1.872 6.677 1.00 0.00 C ATOM 642 O GLN A 465 3.208 2.264 7.285 1.00 0.00 O ATOM 643 CB GLN A 465 5.108 4.183 6.352 1.00 0.00 C ATOM 644 CG GLN A 465 5.950 4.182 7.617 1.00 0.00 C ATOM 645 CD GLN A 465 7.276 3.469 7.436 1.00 0.00 C ATOM 646 OE1 GLN A 465 7.762 3.316 6.315 1.00 0.00 O ATOM 647 NE2 GLN A 465 7.868 3.030 8.540 1.00 0.00 N ATOM 0 H GLN A 465 3.319 3.307 4.506 1.00 0.00 H new ATOM 0 HA GLN A 465 5.938 2.377 5.533 1.00 0.00 H new ATOM 0 HB2 GLN A 465 5.562 4.855 5.624 1.00 0.00 H new ATOM 0 HB3 GLN A 465 4.121 4.583 6.583 1.00 0.00 H new ATOM 0 HG2 GLN A 465 6.134 5.211 7.927 1.00 0.00 H new ATOM 0 HG3 GLN A 465 5.391 3.703 8.420 1.00 0.00 H new ATOM 0 HE21 GLN A 465 7.428 3.179 9.448 1.00 0.00 H new ATOM 0 HE22 GLN A 465 8.762 2.543 8.480 1.00 0.00 H new ATOM 656 N ILE A 466 4.694 0.644 6.804 1.00 0.00 N ATOM 657 CA ILE A 466 4.074 -0.337 7.687 1.00 0.00 C ATOM 658 C ILE A 466 4.639 -0.240 9.100 1.00 0.00 C ATOM 659 O ILE A 466 5.834 -0.439 9.316 1.00 0.00 O ATOM 660 CB ILE A 466 4.275 -1.772 7.163 1.00 0.00 C ATOM 661 CG1 ILE A 466 3.755 -1.892 5.729 1.00 0.00 C ATOM 662 CG2 ILE A 466 3.573 -2.770 8.072 1.00 0.00 C ATOM 663 CD1 ILE A 466 4.315 -3.082 4.982 1.00 0.00 C ATOM 0 H ILE A 466 5.517 0.304 6.307 1.00 0.00 H new ATOM 0 HA ILE A 466 3.008 -0.113 7.709 1.00 0.00 H new ATOM 0 HB ILE A 466 5.341 -1.997 7.163 1.00 0.00 H new ATOM 0 HG12 ILE A 466 2.668 -1.965 5.750 1.00 0.00 H new ATOM 0 HG13 ILE A 466 4.003 -0.981 5.184 1.00 0.00 H new ATOM 0 HG21 ILE A 466 3.724 -3.779 7.689 1.00 0.00 H new ATOM 0 HG22 ILE A 466 3.985 -2.698 9.078 1.00 0.00 H new ATOM 0 HG23 ILE A 466 2.506 -2.548 8.100 1.00 0.00 H new ATOM 0 HD11 ILE A 466 3.904 -3.105 3.973 1.00 0.00 H new ATOM 0 HD12 ILE A 466 5.401 -3.001 4.929 1.00 0.00 H new ATOM 0 HD13 ILE A 466 4.045 -4.000 5.505 1.00 0.00 H new ATOM 675 N SER A 467 3.771 0.066 10.059 1.00 0.00 N ATOM 676 CA SER A 467 4.183 0.192 11.451 1.00 0.00 C ATOM 677 C SER A 467 3.750 -1.028 12.259 1.00 0.00 C ATOM 678 O SER A 467 2.566 -1.359 12.317 1.00 0.00 O ATOM 679 CB SER A 467 3.592 1.461 12.068 1.00 0.00 C ATOM 680 OG SER A 467 4.437 1.976 13.083 1.00 0.00 O ATOM 0 H SER A 467 2.778 0.231 9.897 1.00 0.00 H new ATOM 0 HA SER A 467 5.271 0.256 11.477 1.00 0.00 H new ATOM 0 HB2 SER A 467 3.449 2.214 11.293 1.00 0.00 H new ATOM 0 HB3 SER A 467 2.609 1.243 12.485 1.00 0.00 H new ATOM 0 HG SER A 467 4.038 2.788 13.460 1.00 0.00 H new ATOM 686 N TRP A 468 4.718 -1.692 12.879 1.00 0.00 N ATOM 687 CA TRP A 468 4.438 -2.876 13.684 1.00 0.00 C ATOM 688 C TRP A 468 4.141 -2.495 15.129 1.00 0.00 C ATOM 689 O TRP A 468 5.037 -2.093 15.872 1.00 0.00 O ATOM 690 CB TRP A 468 5.621 -3.845 13.632 1.00 0.00 C ATOM 691 CG TRP A 468 5.840 -4.443 12.275 1.00 0.00 C ATOM 692 CD1 TRP A 468 6.536 -3.890 11.238 1.00 0.00 C ATOM 693 CD2 TRP A 468 5.359 -5.709 11.809 1.00 0.00 C ATOM 694 NE1 TRP A 468 6.516 -4.735 10.155 1.00 0.00 N ATOM 695 CE2 TRP A 468 5.802 -5.858 10.480 1.00 0.00 C ATOM 696 CE3 TRP A 468 4.600 -6.731 12.385 1.00 0.00 C ATOM 697 CZ2 TRP A 468 5.508 -6.988 9.721 1.00 0.00 C ATOM 698 CZ3 TRP A 468 4.309 -7.851 11.630 1.00 0.00 C ATOM 699 CH2 TRP A 468 4.763 -7.973 10.310 1.00 0.00 C ATOM 0 H TRP A 468 5.703 -1.431 12.840 1.00 0.00 H new ATOM 0 HA TRP A 468 3.557 -3.366 13.269 1.00 0.00 H new ATOM 0 HB2 TRP A 468 6.525 -3.320 13.940 1.00 0.00 H new ATOM 0 HB3 TRP A 468 5.457 -4.647 14.352 1.00 0.00 H new ATOM 0 HD1 TRP A 468 7.029 -2.930 11.265 1.00 0.00 H new ATOM 0 HE1 TRP A 468 6.961 -4.555 9.255 1.00 0.00 H new ATOM 0 HE3 TRP A 468 4.247 -6.647 13.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 468 5.856 -7.084 8.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 468 3.721 -8.646 12.065 1.00 0.00 H new ATOM 0 HH2 TRP A 468 4.520 -8.862 9.747 1.00 0.00 H new ATOM 710 N ILE A 469 2.878 -2.622 15.523 1.00 0.00 N ATOM 711 CA ILE A 469 2.464 -2.291 16.880 1.00 0.00 C ATOM 712 C ILE A 469 2.555 -3.508 17.795 1.00 0.00 C ATOM 713 O ILE A 469 3.366 -3.543 18.720 1.00 0.00 O ATOM 714 CB ILE A 469 1.024 -1.745 16.913 1.00 0.00 C ATOM 715 CG1 ILE A 469 0.820 -0.716 15.799 1.00 0.00 C ATOM 716 CG2 ILE A 469 0.721 -1.131 18.271 1.00 0.00 C ATOM 717 CD1 ILE A 469 -0.599 -0.661 15.280 1.00 0.00 C ATOM 0 H ILE A 469 2.124 -2.952 14.921 1.00 0.00 H new ATOM 0 HA ILE A 469 3.145 -1.518 17.237 1.00 0.00 H new ATOM 0 HB ILE A 469 0.334 -2.572 16.749 1.00 0.00 H new ATOM 0 HG12 ILE A 469 1.101 0.270 16.170 1.00 0.00 H new ATOM 0 HG13 ILE A 469 1.492 -0.949 14.973 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -0.300 -0.750 18.278 1.00 0.00 H new ATOM 0 HG22 ILE A 469 0.831 -1.890 19.046 1.00 0.00 H new ATOM 0 HG23 ILE A 469 1.415 -0.313 18.463 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -0.670 0.090 14.493 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -0.878 -1.635 14.878 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -1.274 -0.398 16.094 1.00 0.00 H new ATOM 729 N ASP A 470 1.719 -4.505 17.528 1.00 0.00 N ATOM 730 CA ASP A 470 1.706 -5.727 18.325 1.00 0.00 C ATOM 731 C ASP A 470 1.882 -6.956 17.439 1.00 0.00 C ATOM 732 O ASP A 470 2.102 -6.838 16.233 1.00 0.00 O ATOM 733 CB ASP A 470 0.400 -5.833 19.114 1.00 0.00 C ATOM 734 CG ASP A 470 0.565 -6.610 20.405 1.00 0.00 C ATOM 735 OD1 ASP A 470 0.909 -5.988 21.432 1.00 0.00 O ATOM 736 OD2 ASP A 470 0.350 -7.840 20.389 1.00 0.00 O ATOM 0 H ASP A 470 1.041 -4.492 16.766 1.00 0.00 H new ATOM 0 HA ASP A 470 2.541 -5.684 19.025 1.00 0.00 H new ATOM 0 HB2 ASP A 470 0.033 -4.832 19.340 1.00 0.00 H new ATOM 0 HB3 ASP A 470 -0.356 -6.317 18.496 1.00 0.00 H new ATOM 741 N ASP A 471 1.783 -8.134 18.044 1.00 0.00 N ATOM 742 CA ASP A 471 1.930 -9.385 17.310 1.00 0.00 C ATOM 743 C ASP A 471 0.894 -9.487 16.195 1.00 0.00 C ATOM 744 O ASP A 471 1.151 -10.078 15.146 1.00 0.00 O ATOM 745 CB ASP A 471 1.795 -10.577 18.259 1.00 0.00 C ATOM 746 CG ASP A 471 0.357 -10.831 18.668 1.00 0.00 C ATOM 747 OD1 ASP A 471 -0.380 -9.847 18.888 1.00 0.00 O ATOM 748 OD2 ASP A 471 -0.032 -12.013 18.767 1.00 0.00 O ATOM 0 H ASP A 471 1.602 -8.249 19.041 1.00 0.00 H new ATOM 0 HA ASP A 471 2.923 -9.399 16.861 1.00 0.00 H new ATOM 0 HB2 ASP A 471 2.196 -11.469 17.777 1.00 0.00 H new ATOM 0 HB3 ASP A 471 2.397 -10.399 19.150 1.00 0.00 H new ATOM 753 N THR A 472 -0.279 -8.906 16.429 1.00 0.00 N ATOM 754 CA THR A 472 -1.354 -8.933 15.446 1.00 0.00 C ATOM 755 C THR A 472 -1.924 -7.538 15.216 1.00 0.00 C ATOM 756 O THR A 472 -3.047 -7.386 14.736 1.00 0.00 O ATOM 757 CB THR A 472 -2.492 -9.874 15.884 1.00 0.00 C ATOM 758 OG1 THR A 472 -3.052 -9.422 17.122 1.00 0.00 O ATOM 759 CG2 THR A 472 -1.986 -11.299 16.041 1.00 0.00 C ATOM 0 H THR A 472 -0.508 -8.411 17.291 1.00 0.00 H new ATOM 0 HA THR A 472 -0.923 -9.304 14.516 1.00 0.00 H new ATOM 0 HB THR A 472 -3.261 -9.862 15.112 1.00 0.00 H new ATOM 0 HG1 THR A 472 -2.373 -9.474 17.827 1.00 0.00 H new ATOM 0 HG21 THR A 472 -2.808 -11.945 16.351 1.00 0.00 H new ATOM 0 HG22 THR A 472 -1.587 -11.650 15.089 1.00 0.00 H new ATOM 0 HG23 THR A 472 -1.200 -11.325 16.796 1.00 0.00 H new ATOM 767 N SER A 473 -1.142 -6.520 15.562 1.00 0.00 N ATOM 768 CA SER A 473 -1.570 -5.136 15.396 1.00 0.00 C ATOM 769 C SER A 473 -0.572 -4.357 14.545 1.00 0.00 C ATOM 770 O SER A 473 0.615 -4.291 14.865 1.00 0.00 O ATOM 771 CB SER A 473 -1.730 -4.462 16.760 1.00 0.00 C ATOM 772 OG SER A 473 -2.463 -5.284 17.652 1.00 0.00 O ATOM 0 H SER A 473 -0.209 -6.628 15.959 1.00 0.00 H new ATOM 0 HA SER A 473 -2.533 -5.138 14.885 1.00 0.00 H new ATOM 0 HB2 SER A 473 -0.748 -4.249 17.181 1.00 0.00 H new ATOM 0 HB3 SER A 473 -2.240 -3.506 16.639 1.00 0.00 H new ATOM 0 HG SER A 473 -2.550 -4.832 18.517 1.00 0.00 H new ATOM 778 N ALA A 474 -1.062 -3.767 13.459 1.00 0.00 N ATOM 779 CA ALA A 474 -0.215 -2.991 12.563 1.00 0.00 C ATOM 780 C ALA A 474 -0.944 -1.750 12.057 1.00 0.00 C ATOM 781 O ALA A 474 -2.168 -1.659 12.142 1.00 0.00 O ATOM 782 CB ALA A 474 0.244 -3.850 11.394 1.00 0.00 C ATOM 0 H ALA A 474 -2.042 -3.812 13.179 1.00 0.00 H new ATOM 0 HA ALA A 474 0.660 -2.663 13.123 1.00 0.00 H new ATOM 0 HB1 ALA A 474 0.876 -3.257 10.733 1.00 0.00 H new ATOM 0 HB2 ALA A 474 0.810 -4.702 11.769 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -0.625 -4.207 10.841 1.00 0.00 H new ATOM 788 N PHE A 475 -0.183 -0.797 11.529 1.00 0.00 N ATOM 789 CA PHE A 475 -0.756 0.439 11.010 1.00 0.00 C ATOM 790 C PHE A 475 -0.332 0.670 9.563 1.00 0.00 C ATOM 791 O PHE A 475 0.738 0.232 9.140 1.00 0.00 O ATOM 792 CB PHE A 475 -0.327 1.627 11.874 1.00 0.00 C ATOM 793 CG PHE A 475 -1.270 1.915 13.008 1.00 0.00 C ATOM 794 CD1 PHE A 475 -2.639 1.944 12.797 1.00 0.00 C ATOM 795 CD2 PHE A 475 -0.786 2.158 14.283 1.00 0.00 C ATOM 796 CE1 PHE A 475 -3.509 2.209 13.838 1.00 0.00 C ATOM 797 CE2 PHE A 475 -1.652 2.423 15.328 1.00 0.00 C ATOM 798 CZ PHE A 475 -3.014 2.449 15.105 1.00 0.00 C ATOM 0 H PHE A 475 0.832 -0.857 11.449 1.00 0.00 H new ATOM 0 HA PHE A 475 -1.842 0.348 11.042 1.00 0.00 H new ATOM 0 HB2 PHE A 475 0.666 1.432 12.278 1.00 0.00 H new ATOM 0 HB3 PHE A 475 -0.247 2.513 11.245 1.00 0.00 H new ATOM 0 HD1 PHE A 475 -3.031 1.757 11.808 1.00 0.00 H new ATOM 0 HD2 PHE A 475 0.279 2.140 14.463 1.00 0.00 H new ATOM 0 HE1 PHE A 475 -4.574 2.228 13.661 1.00 0.00 H new ATOM 0 HE2 PHE A 475 -1.263 2.610 16.318 1.00 0.00 H new ATOM 0 HZ PHE A 475 -3.692 2.657 15.920 1.00 0.00 H new ATOM 808 N VAL A 476 -1.181 1.359 8.807 1.00 0.00 N ATOM 809 CA VAL A 476 -0.896 1.649 7.407 1.00 0.00 C ATOM 810 C VAL A 476 -1.035 3.139 7.114 1.00 0.00 C ATOM 811 O VAL A 476 -1.927 3.804 7.640 1.00 0.00 O ATOM 812 CB VAL A 476 -1.831 0.863 6.469 1.00 0.00 C ATOM 813 CG1 VAL A 476 -1.537 1.199 5.015 1.00 0.00 C ATOM 814 CG2 VAL A 476 -1.700 -0.632 6.716 1.00 0.00 C ATOM 0 H VAL A 476 -2.072 1.727 9.141 1.00 0.00 H new ATOM 0 HA VAL A 476 0.133 1.341 7.224 1.00 0.00 H new ATOM 0 HB VAL A 476 -2.859 1.155 6.683 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -2.208 0.634 4.368 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -1.688 2.266 4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -0.504 0.939 4.783 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -2.368 -1.172 6.044 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -0.672 -0.942 6.532 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -1.967 -0.855 7.749 1.00 0.00 H new ATOM 824 N SER A 477 -0.147 3.656 6.272 1.00 0.00 N ATOM 825 CA SER A 477 -0.168 5.069 5.911 1.00 0.00 C ATOM 826 C SER A 477 -0.288 5.242 4.400 1.00 0.00 C ATOM 827 O SER A 477 0.467 4.644 3.633 1.00 0.00 O ATOM 828 CB SER A 477 1.096 5.766 6.417 1.00 0.00 C ATOM 829 OG SER A 477 2.234 5.359 5.676 1.00 0.00 O ATOM 0 H SER A 477 0.596 3.118 5.827 1.00 0.00 H new ATOM 0 HA SER A 477 -1.039 5.526 6.382 1.00 0.00 H new ATOM 0 HB2 SER A 477 0.975 6.847 6.340 1.00 0.00 H new ATOM 0 HB3 SER A 477 1.244 5.537 7.472 1.00 0.00 H new ATOM 0 HG SER A 477 1.956 5.073 4.781 1.00 0.00 H new ATOM 835 N LEU A 478 -1.242 6.065 3.979 1.00 0.00 N ATOM 836 CA LEU A 478 -1.463 6.319 2.560 1.00 0.00 C ATOM 837 C LEU A 478 -1.192 7.781 2.219 1.00 0.00 C ATOM 838 O LEU A 478 -0.983 8.607 3.107 1.00 0.00 O ATOM 839 CB LEU A 478 -2.896 5.950 2.172 1.00 0.00 C ATOM 840 CG LEU A 478 -3.300 4.494 2.405 1.00 0.00 C ATOM 841 CD1 LEU A 478 -4.717 4.248 1.910 1.00 0.00 C ATOM 842 CD2 LEU A 478 -2.322 3.552 1.717 1.00 0.00 C ATOM 0 H LEU A 478 -1.875 6.568 4.601 1.00 0.00 H new ATOM 0 HA LEU A 478 -0.769 5.698 1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 478 -3.579 6.590 2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 478 -3.036 6.181 1.116 1.00 0.00 H new ATOM 0 HG LEU A 478 -3.271 4.296 3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 478 -4.988 3.207 2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 478 -5.408 4.897 2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 478 -4.772 4.464 0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 478 -2.625 2.520 1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 478 -2.318 3.751 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 478 -1.321 3.710 2.119 1.00 0.00 H new ATOM 854 N SER A 479 -1.200 8.094 0.927 1.00 0.00 N ATOM 855 CA SER A 479 -0.954 9.456 0.469 1.00 0.00 C ATOM 856 C SER A 479 -2.266 10.217 0.299 1.00 0.00 C ATOM 857 O SER A 479 -2.409 11.341 0.779 1.00 0.00 O ATOM 858 CB SER A 479 -0.185 9.441 -0.853 1.00 0.00 C ATOM 859 OG SER A 479 0.221 10.747 -1.223 1.00 0.00 O ATOM 0 H SER A 479 -1.374 7.423 0.179 1.00 0.00 H new ATOM 0 HA SER A 479 -0.354 9.964 1.224 1.00 0.00 H new ATOM 0 HB2 SER A 479 0.690 8.798 -0.761 1.00 0.00 H new ATOM 0 HB3 SER A 479 -0.812 9.016 -1.637 1.00 0.00 H new ATOM 0 HG SER A 479 0.712 10.709 -2.070 1.00 0.00 H new ATOM 865 N GLN A 480 -3.219 9.595 -0.388 1.00 0.00 N ATOM 866 CA GLN A 480 -4.518 10.214 -0.622 1.00 0.00 C ATOM 867 C GLN A 480 -5.621 9.460 0.113 1.00 0.00 C ATOM 868 O GLN A 480 -5.540 8.251 0.332 1.00 0.00 O ATOM 869 CB GLN A 480 -4.824 10.255 -2.120 1.00 0.00 C ATOM 870 CG GLN A 480 -5.242 8.910 -2.693 1.00 0.00 C ATOM 871 CD GLN A 480 -5.080 8.841 -4.199 1.00 0.00 C ATOM 872 OE1 GLN A 480 -4.123 9.379 -4.757 1.00 0.00 O ATOM 873 NE2 GLN A 480 -6.016 8.176 -4.865 1.00 0.00 N ATOM 0 H GLN A 480 -3.116 8.664 -0.792 1.00 0.00 H new ATOM 0 HA GLN A 480 -4.481 11.233 -0.237 1.00 0.00 H new ATOM 0 HB2 GLN A 480 -5.618 10.980 -2.300 1.00 0.00 H new ATOM 0 HB3 GLN A 480 -3.942 10.609 -2.653 1.00 0.00 H new ATOM 0 HG2 GLN A 480 -4.647 8.122 -2.231 1.00 0.00 H new ATOM 0 HG3 GLN A 480 -6.283 8.717 -2.434 1.00 0.00 H new ATOM 0 HE21 GLN A 480 -6.792 7.746 -4.362 1.00 0.00 H new ATOM 0 HE22 GLN A 480 -5.959 8.095 -5.880 1.00 0.00 H new ATOM 882 N PRO A 481 -6.676 10.188 0.506 1.00 0.00 N ATOM 883 CA PRO A 481 -7.816 9.609 1.223 1.00 0.00 C ATOM 884 C PRO A 481 -8.653 8.693 0.337 1.00 0.00 C ATOM 885 O PRO A 481 -9.237 7.720 0.812 1.00 0.00 O ATOM 886 CB PRO A 481 -8.629 10.834 1.647 1.00 0.00 C ATOM 887 CG PRO A 481 -8.273 11.886 0.654 1.00 0.00 C ATOM 888 CD PRO A 481 -6.839 11.634 0.280 1.00 0.00 C ATOM 0 HA PRO A 481 -7.498 8.984 2.057 1.00 0.00 H new ATOM 0 HB2 PRO A 481 -9.698 10.623 1.635 1.00 0.00 H new ATOM 0 HB3 PRO A 481 -8.377 11.145 2.661 1.00 0.00 H new ATOM 0 HG2 PRO A 481 -8.920 11.831 -0.221 1.00 0.00 H new ATOM 0 HG3 PRO A 481 -8.396 12.882 1.079 1.00 0.00 H new ATOM 0 HD2 PRO A 481 -6.641 11.903 -0.758 1.00 0.00 H new ATOM 0 HD3 PRO A 481 -6.155 12.217 0.897 1.00 0.00 H new ATOM 896 N GLU A 482 -8.707 9.012 -0.952 1.00 0.00 N ATOM 897 CA GLU A 482 -9.474 8.217 -1.904 1.00 0.00 C ATOM 898 C GLU A 482 -9.132 6.735 -1.776 1.00 0.00 C ATOM 899 O GLU A 482 -10.019 5.892 -1.653 1.00 0.00 O ATOM 900 CB GLU A 482 -9.206 8.693 -3.333 1.00 0.00 C ATOM 901 CG GLU A 482 -9.923 9.984 -3.690 1.00 0.00 C ATOM 902 CD GLU A 482 -11.373 9.759 -4.071 1.00 0.00 C ATOM 903 OE1 GLU A 482 -12.043 8.943 -3.405 1.00 0.00 O ATOM 904 OE2 GLU A 482 -11.838 10.400 -5.037 1.00 0.00 O ATOM 0 H GLU A 482 -8.229 9.815 -1.361 1.00 0.00 H new ATOM 0 HA GLU A 482 -10.532 8.348 -1.678 1.00 0.00 H new ATOM 0 HB2 GLU A 482 -8.133 8.835 -3.464 1.00 0.00 H new ATOM 0 HB3 GLU A 482 -9.512 7.913 -4.030 1.00 0.00 H new ATOM 0 HG2 GLU A 482 -9.876 10.668 -2.843 1.00 0.00 H new ATOM 0 HG3 GLU A 482 -9.404 10.466 -4.518 1.00 0.00 H new ATOM 911 N GLN A 483 -7.839 6.429 -1.807 1.00 0.00 N ATOM 912 CA GLN A 483 -7.379 5.049 -1.696 1.00 0.00 C ATOM 913 C GLN A 483 -8.077 4.333 -0.545 1.00 0.00 C ATOM 914 O GLN A 483 -8.466 3.172 -0.667 1.00 0.00 O ATOM 915 CB GLN A 483 -5.863 5.010 -1.493 1.00 0.00 C ATOM 916 CG GLN A 483 -5.078 5.582 -2.662 1.00 0.00 C ATOM 917 CD GLN A 483 -4.872 4.574 -3.776 1.00 0.00 C ATOM 918 OE1 GLN A 483 -5.577 3.567 -3.856 1.00 0.00 O ATOM 919 NE2 GLN A 483 -3.903 4.840 -4.644 1.00 0.00 N ATOM 0 H GLN A 483 -7.092 7.116 -1.908 1.00 0.00 H new ATOM 0 HA GLN A 483 -7.628 4.534 -2.624 1.00 0.00 H new ATOM 0 HB2 GLN A 483 -5.611 5.566 -0.590 1.00 0.00 H new ATOM 0 HB3 GLN A 483 -5.553 3.978 -1.328 1.00 0.00 H new ATOM 0 HG2 GLN A 483 -5.603 6.452 -3.057 1.00 0.00 H new ATOM 0 HG3 GLN A 483 -4.108 5.930 -2.308 1.00 0.00 H new ATOM 0 HE21 GLN A 483 -3.343 5.686 -4.540 1.00 0.00 H new ATOM 0 HE22 GLN A 483 -3.719 4.198 -5.415 1.00 0.00 H new ATOM 928 N VAL A 484 -8.233 5.035 0.574 1.00 0.00 N ATOM 929 CA VAL A 484 -8.885 4.466 1.748 1.00 0.00 C ATOM 930 C VAL A 484 -10.098 3.631 1.352 1.00 0.00 C ATOM 931 O VAL A 484 -10.214 2.468 1.737 1.00 0.00 O ATOM 932 CB VAL A 484 -9.331 5.566 2.730 1.00 0.00 C ATOM 933 CG1 VAL A 484 -10.035 4.956 3.932 1.00 0.00 C ATOM 934 CG2 VAL A 484 -8.139 6.403 3.168 1.00 0.00 C ATOM 0 H VAL A 484 -7.917 5.998 0.692 1.00 0.00 H new ATOM 0 HA VAL A 484 -8.152 3.826 2.239 1.00 0.00 H new ATOM 0 HB VAL A 484 -10.038 6.220 2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 484 -10.343 5.748 4.614 1.00 0.00 H new ATOM 0 HG12 VAL A 484 -10.913 4.404 3.598 1.00 0.00 H new ATOM 0 HG13 VAL A 484 -9.354 4.278 4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 484 -8.472 7.175 3.861 1.00 0.00 H new ATOM 0 HG22 VAL A 484 -7.407 5.764 3.661 1.00 0.00 H new ATOM 0 HG23 VAL A 484 -7.683 6.871 2.296 1.00 0.00 H new ATOM 944 N GLN A 485 -10.998 4.233 0.582 1.00 0.00 N ATOM 945 CA GLN A 485 -12.203 3.545 0.135 1.00 0.00 C ATOM 946 C GLN A 485 -11.880 2.129 -0.330 1.00 0.00 C ATOM 947 O GLN A 485 -12.380 1.152 0.229 1.00 0.00 O ATOM 948 CB GLN A 485 -12.872 4.326 -0.998 1.00 0.00 C ATOM 949 CG GLN A 485 -14.376 4.119 -1.075 1.00 0.00 C ATOM 950 CD GLN A 485 -14.776 2.669 -0.882 1.00 0.00 C ATOM 951 OE1 GLN A 485 -14.950 1.927 -1.849 1.00 0.00 O ATOM 952 NE2 GLN A 485 -14.925 2.258 0.372 1.00 0.00 N ATOM 0 H GLN A 485 -10.916 5.196 0.255 1.00 0.00 H new ATOM 0 HA GLN A 485 -12.890 3.483 0.979 1.00 0.00 H new ATOM 0 HB2 GLN A 485 -12.666 5.388 -0.867 1.00 0.00 H new ATOM 0 HB3 GLN A 485 -12.424 4.029 -1.946 1.00 0.00 H new ATOM 0 HG2 GLN A 485 -14.862 4.730 -0.315 1.00 0.00 H new ATOM 0 HG3 GLN A 485 -14.738 4.466 -2.043 1.00 0.00 H new ATOM 0 HE21 GLN A 485 -14.770 2.907 1.143 1.00 0.00 H new ATOM 0 HE22 GLN A 485 -15.194 1.293 0.564 1.00 0.00 H new ATOM 961 N ILE A 486 -11.041 2.025 -1.355 1.00 0.00 N ATOM 962 CA ILE A 486 -10.651 0.728 -1.894 1.00 0.00 C ATOM 963 C ILE A 486 -10.104 -0.181 -0.798 1.00 0.00 C ATOM 964 O ILE A 486 -10.617 -1.277 -0.573 1.00 0.00 O ATOM 965 CB ILE A 486 -9.590 0.874 -3.001 1.00 0.00 C ATOM 966 CG1 ILE A 486 -10.115 1.769 -4.126 1.00 0.00 C ATOM 967 CG2 ILE A 486 -9.199 -0.493 -3.543 1.00 0.00 C ATOM 968 CD1 ILE A 486 -9.828 3.238 -3.912 1.00 0.00 C ATOM 0 H ILE A 486 -10.618 2.823 -1.829 1.00 0.00 H new ATOM 0 HA ILE A 486 -11.549 0.280 -2.320 1.00 0.00 H new ATOM 0 HB ILE A 486 -8.703 1.342 -2.574 1.00 0.00 H new ATOM 0 HG12 ILE A 486 -9.669 1.453 -5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 486 -11.192 1.627 -4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 486 -8.449 -0.374 -4.324 1.00 0.00 H new ATOM 0 HG22 ILE A 486 -8.789 -1.101 -2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 486 -10.079 -0.985 -3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 486 -10.228 3.812 -4.747 1.00 0.00 H new ATOM 0 HD12 ILE A 486 -10.298 3.569 -2.986 1.00 0.00 H new ATOM 0 HD13 ILE A 486 -8.751 3.393 -3.848 1.00 0.00 H new ATOM 980 N ALA A 487 -9.061 0.283 -0.118 1.00 0.00 N ATOM 981 CA ALA A 487 -8.446 -0.485 0.957 1.00 0.00 C ATOM 982 C ALA A 487 -9.501 -1.036 1.910 1.00 0.00 C ATOM 983 O ALA A 487 -9.269 -2.026 2.604 1.00 0.00 O ATOM 984 CB ALA A 487 -7.445 0.374 1.715 1.00 0.00 C ATOM 0 H ALA A 487 -8.624 1.188 -0.293 1.00 0.00 H new ATOM 0 HA ALA A 487 -7.919 -1.329 0.511 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -6.994 -0.213 2.515 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -6.667 0.715 1.032 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -7.956 1.237 2.142 1.00 0.00 H new ATOM 990 N VAL A 488 -10.662 -0.388 1.940 1.00 0.00 N ATOM 991 CA VAL A 488 -11.753 -0.813 2.808 1.00 0.00 C ATOM 992 C VAL A 488 -12.692 -1.770 2.082 1.00 0.00 C ATOM 993 O VAL A 488 -13.221 -2.708 2.678 1.00 0.00 O ATOM 994 CB VAL A 488 -12.563 0.391 3.323 1.00 0.00 C ATOM 995 CG1 VAL A 488 -13.787 -0.078 4.094 1.00 0.00 C ATOM 996 CG2 VAL A 488 -11.691 1.290 4.187 1.00 0.00 C ATOM 0 H VAL A 488 -10.870 0.434 1.373 1.00 0.00 H new ATOM 0 HA VAL A 488 -11.300 -1.326 3.656 1.00 0.00 H new ATOM 0 HB VAL A 488 -12.904 0.970 2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 488 -14.346 0.787 4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 488 -14.421 -0.677 3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 488 -13.472 -0.681 4.945 1.00 0.00 H new ATOM 0 HG21 VAL A 488 -12.280 2.136 4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 488 -11.318 0.724 5.040 1.00 0.00 H new ATOM 0 HG23 VAL A 488 -10.850 1.656 3.598 1.00 0.00 H new ATOM 1006 N ASN A 489 -12.893 -1.527 0.791 1.00 0.00 N ATOM 1007 CA ASN A 489 -13.768 -2.368 -0.018 1.00 0.00 C ATOM 1008 C ASN A 489 -13.154 -3.749 -0.229 1.00 0.00 C ATOM 1009 O ASN A 489 -13.856 -4.713 -0.534 1.00 0.00 O ATOM 1010 CB ASN A 489 -14.039 -1.706 -1.370 1.00 0.00 C ATOM 1011 CG ASN A 489 -15.136 -2.407 -2.148 1.00 0.00 C ATOM 1012 OD1 ASN A 489 -16.211 -2.682 -1.616 1.00 0.00 O ATOM 1013 ND2 ASN A 489 -14.867 -2.701 -3.415 1.00 0.00 N ATOM 0 H ASN A 489 -12.462 -0.755 0.283 1.00 0.00 H new ATOM 0 HA ASN A 489 -14.711 -2.487 0.516 1.00 0.00 H new ATOM 0 HB2 ASN A 489 -14.318 -0.664 -1.212 1.00 0.00 H new ATOM 0 HB3 ASN A 489 -13.123 -1.704 -1.961 1.00 0.00 H new ATOM 0 HD21 ASN A 489 -15.566 -3.174 -3.988 1.00 0.00 H new ATOM 0 HD22 ASN A 489 -13.962 -2.454 -3.815 1.00 0.00 H new ATOM 1020 N THR A 490 -11.838 -3.836 -0.064 1.00 0.00 N ATOM 1021 CA THR A 490 -11.128 -5.098 -0.236 1.00 0.00 C ATOM 1022 C THR A 490 -11.210 -5.951 1.024 1.00 0.00 C ATOM 1023 O THR A 490 -11.328 -7.174 0.950 1.00 0.00 O ATOM 1024 CB THR A 490 -9.647 -4.865 -0.589 1.00 0.00 C ATOM 1025 OG1 THR A 490 -9.023 -4.060 0.418 1.00 0.00 O ATOM 1026 CG2 THR A 490 -9.514 -4.184 -1.943 1.00 0.00 C ATOM 0 H THR A 490 -11.242 -3.048 0.189 1.00 0.00 H new ATOM 0 HA THR A 490 -11.612 -5.624 -1.059 1.00 0.00 H new ATOM 0 HB THR A 490 -9.152 -5.835 -0.637 1.00 0.00 H new ATOM 0 HG1 THR A 490 -8.081 -3.918 0.186 1.00 0.00 H new ATOM 0 HG21 THR A 490 -8.459 -4.030 -2.171 1.00 0.00 H new ATOM 0 HG22 THR A 490 -9.963 -4.812 -2.712 1.00 0.00 H new ATOM 0 HG23 THR A 490 -10.024 -3.221 -1.918 1.00 0.00 H new ATOM 1034 N SER A 491 -11.147 -5.299 2.180 1.00 0.00 N ATOM 1035 CA SER A 491 -11.212 -6.000 3.458 1.00 0.00 C ATOM 1036 C SER A 491 -12.609 -6.563 3.699 1.00 0.00 C ATOM 1037 O SER A 491 -12.788 -7.502 4.474 1.00 0.00 O ATOM 1038 CB SER A 491 -10.825 -5.058 4.600 1.00 0.00 C ATOM 1039 OG SER A 491 -11.944 -4.315 5.050 1.00 0.00 O ATOM 0 H SER A 491 -11.051 -4.287 2.259 1.00 0.00 H new ATOM 0 HA SER A 491 -10.506 -6.830 3.426 1.00 0.00 H new ATOM 0 HB2 SER A 491 -10.411 -5.635 5.427 1.00 0.00 H new ATOM 0 HB3 SER A 491 -10.043 -4.377 4.264 1.00 0.00 H new ATOM 0 HG SER A 491 -12.330 -3.818 4.299 1.00 0.00 H new ATOM 1045 N LYS A 492 -13.598 -5.982 3.028 1.00 0.00 N ATOM 1046 CA LYS A 492 -14.980 -6.424 3.166 1.00 0.00 C ATOM 1047 C LYS A 492 -15.089 -7.934 2.983 1.00 0.00 C ATOM 1048 O LYS A 492 -15.479 -8.655 3.902 1.00 0.00 O ATOM 1049 CB LYS A 492 -15.870 -5.710 2.146 1.00 0.00 C ATOM 1050 CG LYS A 492 -16.192 -4.273 2.520 1.00 0.00 C ATOM 1051 CD LYS A 492 -17.252 -4.204 3.607 1.00 0.00 C ATOM 1052 CE LYS A 492 -17.649 -2.767 3.907 1.00 0.00 C ATOM 1053 NZ LYS A 492 -18.494 -2.187 2.826 1.00 0.00 N ATOM 0 H LYS A 492 -13.467 -5.203 2.383 1.00 0.00 H new ATOM 0 HA LYS A 492 -15.317 -6.172 4.172 1.00 0.00 H new ATOM 0 HB2 LYS A 492 -15.376 -5.722 1.174 1.00 0.00 H new ATOM 0 HB3 LYS A 492 -16.801 -6.266 2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 492 -15.286 -3.773 2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 492 -16.539 -3.735 1.638 1.00 0.00 H new ATOM 0 HD2 LYS A 492 -18.131 -4.768 3.296 1.00 0.00 H new ATOM 0 HD3 LYS A 492 -16.875 -4.676 4.515 1.00 0.00 H new ATOM 0 HE2 LYS A 492 -18.192 -2.730 4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 492 -16.752 -2.161 4.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 -18.799 -1.231 3.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 -17.944 -2.136 1.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 -19.330 -2.788 2.678 1.00 0.00 H new ATOM 1067 N TYR A 493 -14.742 -8.407 1.791 1.00 0.00 N ATOM 1068 CA TYR A 493 -14.801 -9.832 1.487 1.00 0.00 C ATOM 1069 C TYR A 493 -13.661 -10.583 2.168 1.00 0.00 C ATOM 1070 O TYR A 493 -13.832 -11.714 2.622 1.00 0.00 O ATOM 1071 CB TYR A 493 -14.742 -10.055 -0.025 1.00 0.00 C ATOM 1072 CG TYR A 493 -13.381 -9.781 -0.625 1.00 0.00 C ATOM 1073 CD1 TYR A 493 -12.388 -10.752 -0.615 1.00 0.00 C ATOM 1074 CD2 TYR A 493 -13.089 -8.551 -1.200 1.00 0.00 C ATOM 1075 CE1 TYR A 493 -11.143 -10.506 -1.161 1.00 0.00 C ATOM 1076 CE2 TYR A 493 -11.847 -8.296 -1.750 1.00 0.00 C ATOM 1077 CZ TYR A 493 -10.877 -9.277 -1.727 1.00 0.00 C ATOM 1078 OH TYR A 493 -9.639 -9.027 -2.272 1.00 0.00 O ATOM 0 H TYR A 493 -14.417 -7.824 1.019 1.00 0.00 H new ATOM 0 HA TYR A 493 -15.746 -10.220 1.868 1.00 0.00 H new ATOM 0 HB2 TYR A 493 -15.025 -11.085 -0.243 1.00 0.00 H new ATOM 0 HB3 TYR A 493 -15.479 -9.413 -0.508 1.00 0.00 H new ATOM 0 HD1 TYR A 493 -12.593 -11.716 -0.173 1.00 0.00 H new ATOM 0 HD2 TYR A 493 -13.846 -7.780 -1.218 1.00 0.00 H new ATOM 0 HE1 TYR A 493 -10.382 -11.272 -1.145 1.00 0.00 H new ATOM 0 HE2 TYR A 493 -11.637 -7.335 -2.195 1.00 0.00 H new ATOM 0 HH TYR A 493 -9.617 -8.115 -2.630 1.00 0.00 H new ATOM 1088 N ALA A 494 -12.498 -9.944 2.236 1.00 0.00 N ATOM 1089 CA ALA A 494 -11.330 -10.549 2.864 1.00 0.00 C ATOM 1090 C ALA A 494 -11.600 -10.872 4.329 1.00 0.00 C ATOM 1091 O ALA A 494 -11.804 -9.973 5.144 1.00 0.00 O ATOM 1092 CB ALA A 494 -10.126 -9.627 2.737 1.00 0.00 C ATOM 0 H ALA A 494 -12.340 -9.008 1.864 1.00 0.00 H new ATOM 0 HA ALA A 494 -11.114 -11.484 2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 494 -9.261 -10.091 3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -9.912 -9.451 1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -10.342 -8.677 3.227 1.00 0.00 H new ATOM 1098 N GLU A 495 -11.599 -12.160 4.657 1.00 0.00 N ATOM 1099 CA GLU A 495 -11.846 -12.600 6.025 1.00 0.00 C ATOM 1100 C GLU A 495 -10.533 -12.800 6.777 1.00 0.00 C ATOM 1101 O GLU A 495 -10.448 -12.541 7.977 1.00 0.00 O ATOM 1102 CB GLU A 495 -12.651 -13.901 6.028 1.00 0.00 C ATOM 1103 CG GLU A 495 -11.895 -15.086 5.452 1.00 0.00 C ATOM 1104 CD GLU A 495 -12.806 -16.251 5.115 1.00 0.00 C ATOM 1105 OE1 GLU A 495 -13.078 -17.072 6.015 1.00 0.00 O ATOM 1106 OE2 GLU A 495 -13.247 -16.341 3.950 1.00 0.00 O ATOM 0 H GLU A 495 -11.430 -12.917 3.994 1.00 0.00 H new ATOM 0 HA GLU A 495 -12.421 -11.824 6.531 1.00 0.00 H new ATOM 0 HB2 GLU A 495 -12.947 -14.133 7.051 1.00 0.00 H new ATOM 0 HB3 GLU A 495 -13.567 -13.753 5.456 1.00 0.00 H new ATOM 0 HG2 GLU A 495 -11.365 -14.772 4.553 1.00 0.00 H new ATOM 0 HG3 GLU A 495 -11.141 -15.414 6.168 1.00 0.00 H new ATOM 1113 N SER A 496 -9.512 -13.262 6.062 1.00 0.00 N ATOM 1114 CA SER A 496 -8.205 -13.501 6.662 1.00 0.00 C ATOM 1115 C SER A 496 -7.744 -12.286 7.461 1.00 0.00 C ATOM 1116 O SER A 496 -7.324 -12.409 8.612 1.00 0.00 O ATOM 1117 CB SER A 496 -7.177 -13.834 5.579 1.00 0.00 C ATOM 1118 OG SER A 496 -7.592 -14.948 4.807 1.00 0.00 O ATOM 0 H SER A 496 -9.565 -13.478 5.067 1.00 0.00 H new ATOM 0 HA SER A 496 -8.294 -14.348 7.342 1.00 0.00 H new ATOM 0 HB2 SER A 496 -7.035 -12.970 4.930 1.00 0.00 H new ATOM 0 HB3 SER A 496 -6.213 -14.047 6.041 1.00 0.00 H new ATOM 0 HG SER A 496 -6.919 -15.139 4.121 1.00 0.00 H new ATOM 1124 N TYR A 497 -7.824 -11.114 6.842 1.00 0.00 N ATOM 1125 CA TYR A 497 -7.413 -9.876 7.493 1.00 0.00 C ATOM 1126 C TYR A 497 -8.590 -8.916 7.631 1.00 0.00 C ATOM 1127 O TYR A 497 -9.653 -9.131 7.048 1.00 0.00 O ATOM 1128 CB TYR A 497 -6.286 -9.209 6.702 1.00 0.00 C ATOM 1129 CG TYR A 497 -6.729 -8.658 5.365 1.00 0.00 C ATOM 1130 CD1 TYR A 497 -7.405 -7.447 5.281 1.00 0.00 C ATOM 1131 CD2 TYR A 497 -6.472 -9.348 4.187 1.00 0.00 C ATOM 1132 CE1 TYR A 497 -7.813 -6.939 4.062 1.00 0.00 C ATOM 1133 CE2 TYR A 497 -6.874 -8.848 2.964 1.00 0.00 C ATOM 1134 CZ TYR A 497 -7.544 -7.643 2.906 1.00 0.00 C ATOM 1135 OH TYR A 497 -7.948 -7.142 1.690 1.00 0.00 O ATOM 0 H TYR A 497 -8.170 -10.995 5.890 1.00 0.00 H new ATOM 0 HA TYR A 497 -7.051 -10.123 8.491 1.00 0.00 H new ATOM 0 HB2 TYR A 497 -5.865 -8.399 7.298 1.00 0.00 H new ATOM 0 HB3 TYR A 497 -5.488 -9.934 6.541 1.00 0.00 H new ATOM 0 HD1 TYR A 497 -7.615 -6.893 6.184 1.00 0.00 H new ATOM 0 HD2 TYR A 497 -5.949 -10.292 4.228 1.00 0.00 H new ATOM 0 HE1 TYR A 497 -8.339 -5.997 4.015 1.00 0.00 H new ATOM 0 HE2 TYR A 497 -6.665 -9.397 2.058 1.00 0.00 H new ATOM 0 HH TYR A 497 -7.680 -7.758 0.977 1.00 0.00 H new ATOM 1145 N ARG A 498 -8.392 -7.854 8.406 1.00 0.00 N ATOM 1146 CA ARG A 498 -9.437 -6.861 8.622 1.00 0.00 C ATOM 1147 C ARG A 498 -8.857 -5.449 8.600 1.00 0.00 C ATOM 1148 O ARG A 498 -7.883 -5.157 9.295 1.00 0.00 O ATOM 1149 CB ARG A 498 -10.142 -7.113 9.956 1.00 0.00 C ATOM 1150 CG ARG A 498 -11.456 -6.362 10.101 1.00 0.00 C ATOM 1151 CD ARG A 498 -12.056 -6.552 11.485 1.00 0.00 C ATOM 1152 NE ARG A 498 -12.615 -7.890 11.661 1.00 0.00 N ATOM 1153 CZ ARG A 498 -13.790 -8.266 11.166 1.00 0.00 C ATOM 1154 NH1 ARG A 498 -14.524 -7.410 10.469 1.00 0.00 N ATOM 1155 NH2 ARG A 498 -14.231 -9.501 11.369 1.00 0.00 N ATOM 0 H ARG A 498 -7.518 -7.660 8.894 1.00 0.00 H new ATOM 0 HA ARG A 498 -10.162 -6.951 7.813 1.00 0.00 H new ATOM 0 HB2 ARG A 498 -10.330 -8.181 10.062 1.00 0.00 H new ATOM 0 HB3 ARG A 498 -9.476 -6.824 10.769 1.00 0.00 H new ATOM 0 HG2 ARG A 498 -11.292 -5.300 9.917 1.00 0.00 H new ATOM 0 HG3 ARG A 498 -12.161 -6.711 9.346 1.00 0.00 H new ATOM 0 HD2 ARG A 498 -11.289 -6.378 12.240 1.00 0.00 H new ATOM 0 HD3 ARG A 498 -12.837 -5.809 11.647 1.00 0.00 H new ATOM 0 HE ARG A 498 -12.075 -8.573 12.192 1.00 0.00 H new ATOM 0 HH11 ARG A 498 -14.188 -6.460 10.311 1.00 0.00 H new ATOM 0 HH12 ARG A 498 -15.425 -7.701 10.090 1.00 0.00 H new ATOM 0 HH21 ARG A 498 -13.668 -10.162 11.905 1.00 0.00 H new ATOM 0 HH22 ARG A 498 -15.133 -9.789 10.989 1.00 0.00 H new ATOM 1169 N ILE A 499 -9.462 -4.579 7.798 1.00 0.00 N ATOM 1170 CA ILE A 499 -9.006 -3.199 7.686 1.00 0.00 C ATOM 1171 C ILE A 499 -10.104 -2.223 8.092 1.00 0.00 C ATOM 1172 O ILE A 499 -11.272 -2.412 7.752 1.00 0.00 O ATOM 1173 CB ILE A 499 -8.548 -2.872 6.252 1.00 0.00 C ATOM 1174 CG1 ILE A 499 -7.437 -3.830 5.818 1.00 0.00 C ATOM 1175 CG2 ILE A 499 -8.075 -1.429 6.164 1.00 0.00 C ATOM 1176 CD1 ILE A 499 -7.057 -3.694 4.360 1.00 0.00 C ATOM 0 H ILE A 499 -10.269 -4.805 7.216 1.00 0.00 H new ATOM 0 HA ILE A 499 -8.158 -3.091 8.363 1.00 0.00 H new ATOM 0 HB ILE A 499 -9.395 -2.998 5.577 1.00 0.00 H new ATOM 0 HG12 ILE A 499 -6.555 -3.653 6.433 1.00 0.00 H new ATOM 0 HG13 ILE A 499 -7.757 -4.855 6.008 1.00 0.00 H new ATOM 0 HG21 ILE A 499 -7.755 -1.213 5.145 1.00 0.00 H new ATOM 0 HG22 ILE A 499 -8.892 -0.761 6.437 1.00 0.00 H new ATOM 0 HG23 ILE A 499 -7.239 -1.278 6.847 1.00 0.00 H new ATOM 0 HD11 ILE A 499 -6.264 -4.403 4.123 1.00 0.00 H new ATOM 0 HD12 ILE A 499 -7.927 -3.900 3.736 1.00 0.00 H new ATOM 0 HD13 ILE A 499 -6.706 -2.680 4.169 1.00 0.00 H new ATOM 1188 N GLN A 500 -9.721 -1.179 8.819 1.00 0.00 N ATOM 1189 CA GLN A 500 -10.674 -0.172 9.271 1.00 0.00 C ATOM 1190 C GLN A 500 -9.991 1.179 9.458 1.00 0.00 C ATOM 1191 O GLN A 500 -8.765 1.262 9.529 1.00 0.00 O ATOM 1192 CB GLN A 500 -11.331 -0.611 10.581 1.00 0.00 C ATOM 1193 CG GLN A 500 -10.377 -0.624 11.764 1.00 0.00 C ATOM 1194 CD GLN A 500 -10.844 -1.538 12.880 1.00 0.00 C ATOM 1195 OE1 GLN A 500 -11.845 -1.266 13.544 1.00 0.00 O ATOM 1196 NE2 GLN A 500 -10.119 -2.631 13.092 1.00 0.00 N ATOM 0 H GLN A 500 -8.758 -1.008 9.108 1.00 0.00 H new ATOM 0 HA GLN A 500 -11.443 -0.067 8.506 1.00 0.00 H new ATOM 0 HB2 GLN A 500 -12.163 0.058 10.803 1.00 0.00 H new ATOM 0 HB3 GLN A 500 -11.750 -1.609 10.451 1.00 0.00 H new ATOM 0 HG2 GLN A 500 -9.391 -0.943 11.427 1.00 0.00 H new ATOM 0 HG3 GLN A 500 -10.270 0.390 12.150 1.00 0.00 H new ATOM 0 HE21 GLN A 500 -9.297 -2.817 12.518 1.00 0.00 H new ATOM 0 HE22 GLN A 500 -10.385 -3.284 13.829 1.00 0.00 H new ATOM 1205 N THR A 501 -10.793 2.236 9.538 1.00 0.00 N ATOM 1206 CA THR A 501 -10.267 3.583 9.715 1.00 0.00 C ATOM 1207 C THR A 501 -9.721 3.779 11.125 1.00 0.00 C ATOM 1208 O THR A 501 -10.247 3.220 12.088 1.00 0.00 O ATOM 1209 CB THR A 501 -11.345 4.649 9.442 1.00 0.00 C ATOM 1210 OG1 THR A 501 -12.504 4.389 10.242 1.00 0.00 O ATOM 1211 CG2 THR A 501 -11.731 4.663 7.970 1.00 0.00 C ATOM 0 H THR A 501 -11.810 2.185 9.483 1.00 0.00 H new ATOM 0 HA THR A 501 -9.458 3.703 8.994 1.00 0.00 H new ATOM 0 HB THR A 501 -10.935 5.625 9.703 1.00 0.00 H new ATOM 0 HG1 THR A 501 -13.184 5.072 10.064 1.00 0.00 H new ATOM 0 HG21 THR A 501 -12.493 5.423 7.801 1.00 0.00 H new ATOM 0 HG22 THR A 501 -10.853 4.889 7.366 1.00 0.00 H new ATOM 0 HG23 THR A 501 -12.124 3.686 7.688 1.00 0.00 H new ATOM 1219 N TYR A 502 -8.665 4.576 11.241 1.00 0.00 N ATOM 1220 CA TYR A 502 -8.047 4.844 12.534 1.00 0.00 C ATOM 1221 C TYR A 502 -9.103 5.175 13.584 1.00 0.00 C ATOM 1222 O TYR A 502 -9.131 4.581 14.661 1.00 0.00 O ATOM 1223 CB TYR A 502 -7.050 5.998 12.417 1.00 0.00 C ATOM 1224 CG TYR A 502 -6.252 6.239 13.678 1.00 0.00 C ATOM 1225 CD1 TYR A 502 -6.777 6.987 14.724 1.00 0.00 C ATOM 1226 CD2 TYR A 502 -4.972 5.716 13.824 1.00 0.00 C ATOM 1227 CE1 TYR A 502 -6.051 7.210 15.878 1.00 0.00 C ATOM 1228 CE2 TYR A 502 -4.239 5.933 14.975 1.00 0.00 C ATOM 1229 CZ TYR A 502 -4.783 6.681 15.999 1.00 0.00 C ATOM 1230 OH TYR A 502 -4.057 6.900 17.147 1.00 0.00 O ATOM 0 H TYR A 502 -8.219 5.048 10.455 1.00 0.00 H new ATOM 0 HA TYR A 502 -7.517 3.945 12.848 1.00 0.00 H new ATOM 0 HB2 TYR A 502 -6.363 5.792 11.596 1.00 0.00 H new ATOM 0 HB3 TYR A 502 -7.590 6.909 12.159 1.00 0.00 H new ATOM 0 HD1 TYR A 502 -7.770 7.402 14.634 1.00 0.00 H new ATOM 0 HD2 TYR A 502 -4.543 5.130 13.024 1.00 0.00 H new ATOM 0 HE1 TYR A 502 -6.474 7.795 16.681 1.00 0.00 H new ATOM 0 HE2 TYR A 502 -3.246 5.520 15.073 1.00 0.00 H new ATOM 0 HH TYR A 502 -3.185 6.458 17.072 1.00 0.00 H new ATOM 1240 N ALA A 503 -9.972 6.127 13.261 1.00 0.00 N ATOM 1241 CA ALA A 503 -11.032 6.536 14.173 1.00 0.00 C ATOM 1242 C ALA A 503 -11.900 5.348 14.574 1.00 0.00 C ATOM 1243 O ALA A 503 -12.214 5.167 15.750 1.00 0.00 O ATOM 1244 CB ALA A 503 -11.885 7.625 13.538 1.00 0.00 C ATOM 0 H ALA A 503 -9.962 6.630 12.374 1.00 0.00 H new ATOM 0 HA ALA A 503 -10.567 6.934 15.075 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -12.673 7.921 14.231 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -11.261 8.489 13.308 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -12.333 7.247 12.619 1.00 0.00 H new ATOM 1250 N GLU A 504 -12.285 4.543 13.589 1.00 0.00 N ATOM 1251 CA GLU A 504 -13.119 3.374 13.840 1.00 0.00 C ATOM 1252 C GLU A 504 -12.456 2.441 14.850 1.00 0.00 C ATOM 1253 O GLU A 504 -13.096 1.975 15.793 1.00 0.00 O ATOM 1254 CB GLU A 504 -13.389 2.622 12.535 1.00 0.00 C ATOM 1255 CG GLU A 504 -14.612 3.123 11.786 1.00 0.00 C ATOM 1256 CD GLU A 504 -15.912 2.681 12.429 1.00 0.00 C ATOM 1257 OE1 GLU A 504 -16.056 2.854 13.657 1.00 0.00 O ATOM 1258 OE2 GLU A 504 -16.786 2.163 11.703 1.00 0.00 O ATOM 0 H GLU A 504 -12.033 4.679 12.610 1.00 0.00 H new ATOM 0 HA GLU A 504 -14.067 3.717 14.255 1.00 0.00 H new ATOM 0 HB2 GLU A 504 -12.516 2.709 11.888 1.00 0.00 H new ATOM 0 HB3 GLU A 504 -13.517 1.562 12.756 1.00 0.00 H new ATOM 0 HG2 GLU A 504 -14.585 4.212 11.741 1.00 0.00 H new ATOM 0 HG3 GLU A 504 -14.578 2.761 10.759 1.00 0.00 H new ATOM 1265 N TYR A 505 -11.172 2.171 14.643 1.00 0.00 N ATOM 1266 CA TYR A 505 -10.423 1.292 15.533 1.00 0.00 C ATOM 1267 C TYR A 505 -10.377 1.859 16.948 1.00 0.00 C ATOM 1268 O TYR A 505 -10.889 1.254 17.889 1.00 0.00 O ATOM 1269 CB TYR A 505 -9.001 1.090 15.005 1.00 0.00 C ATOM 1270 CG TYR A 505 -8.042 0.551 16.043 1.00 0.00 C ATOM 1271 CD1 TYR A 505 -8.213 -0.716 16.585 1.00 0.00 C ATOM 1272 CD2 TYR A 505 -6.963 1.310 16.480 1.00 0.00 C ATOM 1273 CE1 TYR A 505 -7.339 -1.212 17.533 1.00 0.00 C ATOM 1274 CE2 TYR A 505 -6.083 0.823 17.427 1.00 0.00 C ATOM 1275 CZ TYR A 505 -6.276 -0.439 17.951 1.00 0.00 C ATOM 1276 OH TYR A 505 -5.402 -0.929 18.894 1.00 0.00 O ATOM 0 H TYR A 505 -10.628 2.548 13.867 1.00 0.00 H new ATOM 0 HA TYR A 505 -10.932 0.329 15.565 1.00 0.00 H new ATOM 0 HB2 TYR A 505 -9.030 0.404 14.158 1.00 0.00 H new ATOM 0 HB3 TYR A 505 -8.622 2.041 14.631 1.00 0.00 H new ATOM 0 HD1 TYR A 505 -9.044 -1.324 16.260 1.00 0.00 H new ATOM 0 HD2 TYR A 505 -6.810 2.298 16.072 1.00 0.00 H new ATOM 0 HE1 TYR A 505 -7.487 -2.199 17.944 1.00 0.00 H new ATOM 0 HE2 TYR A 505 -5.249 1.426 17.755 1.00 0.00 H new ATOM 0 HH TYR A 505 -4.709 -0.260 19.077 1.00 0.00 H new ATOM 1286 N VAL A 506 -9.759 3.027 17.090 1.00 0.00 N ATOM 1287 CA VAL A 506 -9.646 3.680 18.389 1.00 0.00 C ATOM 1288 C VAL A 506 -11.009 3.807 19.061 1.00 0.00 C ATOM 1289 O VAL A 506 -11.146 3.571 20.260 1.00 0.00 O ATOM 1290 CB VAL A 506 -9.016 5.079 18.262 1.00 0.00 C ATOM 1291 CG1 VAL A 506 -7.575 4.975 17.785 1.00 0.00 C ATOM 1292 CG2 VAL A 506 -9.836 5.949 17.322 1.00 0.00 C ATOM 0 H VAL A 506 -9.329 3.541 16.321 1.00 0.00 H new ATOM 0 HA VAL A 506 -8.999 3.053 19.002 1.00 0.00 H new ATOM 0 HB VAL A 506 -9.015 5.548 19.246 1.00 0.00 H new ATOM 0 HG11 VAL A 506 -7.146 5.974 17.701 1.00 0.00 H new ATOM 0 HG12 VAL A 506 -6.996 4.391 18.500 1.00 0.00 H new ATOM 0 HG13 VAL A 506 -7.548 4.486 16.811 1.00 0.00 H new ATOM 0 HG21 VAL A 506 -9.376 6.934 17.244 1.00 0.00 H new ATOM 0 HG22 VAL A 506 -9.871 5.486 16.336 1.00 0.00 H new ATOM 0 HG23 VAL A 506 -10.849 6.051 17.711 1.00 0.00 H new