USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 573 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 407 HIS :FLIP no HD1:sc=-0.00989 F(o=-0.84,f=-0.0099) USER MOD Set 1.2: A 473 LYS NZ :NH3+ 164:sc= 0 (180deg=0) USER MOD Set 2.1: A 420 MET CE :methyl -145:sc= -1.57 (180deg=-4.84!) USER MOD Set 2.2: A 462 MET CE :methyl 147:sc= -0.379 (180deg=-2.1!) USER MOD Set 3.1: A 419 GLN : amide:sc= -0.559 K(o=-0.56,f=-2.9!) USER MOD Set 3.2: A 422 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 395 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0959) USER MOD Single : A 402 ASN : amide:sc= -5.85! C(o=-5.8!,f=-10!) USER MOD Single : A 406 TYR OH : rot 180:sc= 0 USER MOD Single : A 410 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 415 GLN : amide:sc= -0.0739 K(o=-0.074,f=-1.4!) USER MOD Single : A 426 ASN : amide:sc= -0.0817 X(o=-0.082,f=0) USER MOD Single : A 429 SER OG : rot 25:sc= -2.73 USER MOD Single : A 431 LYS NZ :NH3+ -159:sc= 0.458 (180deg=0.321) USER MOD Single : A 443 CYS SG : rot -79:sc= 0.0288 USER MOD Single : A 448 SER OG : rot 120:sc= -1.57 USER MOD Single : A 449 TYR OH : rot -118:sc= -0.523 USER MOD Single : A 451 ASN : amide:sc= -0.384 K(o=-0.38,f=-0.92) USER MOD Single : A 454 SER OG : rot -96:sc= 0.0764 USER MOD Single : A 456 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.4) USER MOD Single : A 460 GLN : amide:sc= -0.153 K(o=-0.15,f=-2.6!) USER MOD Single : A 461 SER OG : rot 180:sc= 0 USER MOD Single : A 463 ASN : amide:sc= 0.148 K(o=0.15,f=-0.37) USER MOD Single : A 466 GLN : amide:sc= -1.24 K(o=-1.2,f=-3.5!) USER MOD Single : A 469 MET CE :methyl 159:sc= -0.0586 (180deg=-0.46) USER MOD Single : A 470 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 GLN : amide:sc= -0.511 K(o=-0.51,f=-2.6!) USER MOD Single : A 477 LYS NZ :NH3+ -153:sc= -0.11 (180deg=-0.655) USER MOD ----------------------------------------------------------------- ATOM 225 N LYS A 395 9.486 5.624 4.204 1.00 0.00 N ATOM 226 CA LYS A 395 9.150 7.014 3.914 1.00 0.00 C ATOM 227 C LYS A 395 7.776 7.116 3.259 1.00 0.00 C ATOM 228 O LYS A 395 7.253 6.134 2.735 1.00 0.00 O ATOM 229 CB LYS A 395 10.209 7.636 3.002 1.00 0.00 C ATOM 230 CG LYS A 395 10.492 6.820 1.752 1.00 0.00 C ATOM 231 CD LYS A 395 11.867 7.128 1.184 1.00 0.00 C ATOM 232 CE LYS A 395 11.868 8.434 0.404 1.00 0.00 C ATOM 233 NZ LYS A 395 11.179 8.296 -0.909 1.00 0.00 N ATOM 0 HA LYS A 395 9.125 7.560 4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 395 9.882 8.634 2.708 1.00 0.00 H new ATOM 0 HB3 LYS A 395 11.135 7.756 3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 395 10.424 5.758 1.987 1.00 0.00 H new ATOM 0 HG3 LYS A 395 9.731 7.029 1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 395 12.592 7.187 1.996 1.00 0.00 H new ATOM 0 HD3 LYS A 395 12.183 6.314 0.532 1.00 0.00 H new ATOM 0 HE2 LYS A 395 11.377 9.209 0.992 1.00 0.00 H new ATOM 0 HE3 LYS A 395 12.896 8.760 0.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 11.388 9.126 -1.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 11.515 7.437 -1.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 10.152 8.228 -0.757 1.00 0.00 H new ATOM 247 N GLU A 396 7.198 8.313 3.291 1.00 0.00 N ATOM 248 CA GLU A 396 5.885 8.543 2.700 1.00 0.00 C ATOM 249 C GLU A 396 5.927 9.712 1.721 1.00 0.00 C ATOM 250 O GLU A 396 6.979 10.307 1.491 1.00 0.00 O ATOM 251 CB GLU A 396 4.850 8.815 3.793 1.00 0.00 C ATOM 252 CG GLU A 396 5.203 9.993 4.687 1.00 0.00 C ATOM 253 CD GLU A 396 4.656 11.307 4.163 1.00 0.00 C ATOM 254 OE1 GLU A 396 3.519 11.314 3.647 1.00 0.00 O ATOM 255 OE2 GLU A 396 5.366 12.329 4.271 1.00 0.00 O ATOM 0 H GLU A 396 7.618 9.138 3.720 1.00 0.00 H new ATOM 0 HA GLU A 396 5.598 7.644 2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 396 3.882 9.001 3.327 1.00 0.00 H new ATOM 0 HB3 GLU A 396 4.741 7.922 4.409 1.00 0.00 H new ATOM 0 HG2 GLU A 396 4.812 9.814 5.689 1.00 0.00 H new ATOM 0 HG3 GLU A 396 6.287 10.065 4.776 1.00 0.00 H new ATOM 262 N GLY A 397 4.773 10.036 1.145 1.00 0.00 N ATOM 263 CA GLY A 397 4.699 11.133 0.197 1.00 0.00 C ATOM 264 C GLY A 397 4.299 12.440 0.852 1.00 0.00 C ATOM 265 O GLY A 397 4.643 12.714 2.003 1.00 0.00 O ATOM 0 H GLY A 397 3.888 9.559 1.318 1.00 0.00 H new ATOM 0 HA2 GLY A 397 5.667 11.255 -0.289 1.00 0.00 H new ATOM 0 HA3 GLY A 397 3.979 10.886 -0.584 1.00 0.00 H new ATOM 269 N PRO A 398 3.556 13.275 0.111 1.00 0.00 N ATOM 270 CA PRO A 398 3.093 14.574 0.605 1.00 0.00 C ATOM 271 C PRO A 398 1.930 14.442 1.584 1.00 0.00 C ATOM 272 O PRO A 398 1.157 13.488 1.516 1.00 0.00 O ATOM 273 CB PRO A 398 2.642 15.299 -0.666 1.00 0.00 C ATOM 274 CG PRO A 398 2.245 14.209 -1.602 1.00 0.00 C ATOM 275 CD PRO A 398 3.108 13.014 -1.268 1.00 0.00 C ATOM 0 HA PRO A 398 3.872 15.099 1.158 1.00 0.00 H new ATOM 0 HB2 PRO A 398 1.808 15.971 -0.464 1.00 0.00 H new ATOM 0 HB3 PRO A 398 3.446 15.906 -1.083 1.00 0.00 H new ATOM 0 HG2 PRO A 398 1.188 13.967 -1.488 1.00 0.00 H new ATOM 0 HG3 PRO A 398 2.392 14.515 -2.638 1.00 0.00 H new ATOM 0 HD2 PRO A 398 2.545 12.083 -1.336 1.00 0.00 H new ATOM 0 HD3 PRO A 398 3.952 12.927 -1.952 1.00 0.00 H new ATOM 283 N GLU A 399 1.814 15.406 2.492 1.00 0.00 N ATOM 284 CA GLU A 399 0.746 15.395 3.484 1.00 0.00 C ATOM 285 C GLU A 399 -0.617 15.242 2.815 1.00 0.00 C ATOM 286 O GLU A 399 -1.066 16.125 2.087 1.00 0.00 O ATOM 287 CB GLU A 399 0.777 16.682 4.313 1.00 0.00 C ATOM 288 CG GLU A 399 -0.407 16.827 5.254 1.00 0.00 C ATOM 289 CD GLU A 399 -0.347 18.101 6.073 1.00 0.00 C ATOM 290 OE1 GLU A 399 0.754 18.457 6.539 1.00 0.00 O ATOM 291 OE2 GLU A 399 -1.405 18.744 6.248 1.00 0.00 O ATOM 0 H GLU A 399 2.446 16.204 2.561 1.00 0.00 H new ATOM 0 HA GLU A 399 0.906 14.542 4.143 1.00 0.00 H new ATOM 0 HB2 GLU A 399 1.698 16.708 4.895 1.00 0.00 H new ATOM 0 HB3 GLU A 399 0.802 17.538 3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -1.330 16.815 4.675 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -0.440 15.969 5.925 1.00 0.00 H new ATOM 298 N GLY A 400 -1.270 14.111 3.067 1.00 0.00 N ATOM 299 CA GLY A 400 -2.573 13.860 2.481 1.00 0.00 C ATOM 300 C GLY A 400 -2.627 12.547 1.726 1.00 0.00 C ATOM 301 O GLY A 400 -3.686 11.930 1.616 1.00 0.00 O ATOM 0 H GLY A 400 -0.919 13.364 3.667 1.00 0.00 H new ATOM 0 HA2 GLY A 400 -3.327 13.854 3.268 1.00 0.00 H new ATOM 0 HA3 GLY A 400 -2.826 14.676 1.804 1.00 0.00 H new ATOM 305 N ALA A 401 -1.482 12.119 1.204 1.00 0.00 N ATOM 306 CA ALA A 401 -1.404 10.870 0.456 1.00 0.00 C ATOM 307 C ALA A 401 -0.900 9.734 1.337 1.00 0.00 C ATOM 308 O ALA A 401 0.146 9.847 1.975 1.00 0.00 O ATOM 309 CB ALA A 401 -0.503 11.039 -0.758 1.00 0.00 C ATOM 0 H ALA A 401 -0.596 12.618 1.285 1.00 0.00 H new ATOM 0 HA ALA A 401 -2.408 10.614 0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 401 -0.453 10.099 -1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 401 -0.907 11.817 -1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 401 0.498 11.322 -0.432 1.00 0.00 H new ATOM 315 N ASN A 402 -1.651 8.637 1.368 1.00 0.00 N ATOM 316 CA ASN A 402 -1.280 7.479 2.174 1.00 0.00 C ATOM 317 C ASN A 402 -1.963 6.216 1.657 1.00 0.00 C ATOM 318 O ASN A 402 -2.958 6.286 0.935 1.00 0.00 O ATOM 319 CB ASN A 402 -1.652 7.710 3.639 1.00 0.00 C ATOM 320 CG ASN A 402 -1.612 9.178 4.021 1.00 0.00 C ATOM 321 OD1 ASN A 402 -2.638 9.858 4.024 1.00 0.00 O ATOM 322 ND2 ASN A 402 -0.424 9.672 4.347 1.00 0.00 N ATOM 0 H ASN A 402 -2.519 8.526 0.845 1.00 0.00 H new ATOM 0 HA ASN A 402 -0.201 7.345 2.098 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -2.652 7.316 3.824 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -0.967 7.152 4.277 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -0.335 10.652 4.614 1.00 0.00 H new ATOM 0 HD22 ASN A 402 0.400 9.071 4.331 1.00 0.00 H new ATOM 329 N LEU A 403 -1.421 5.063 2.032 1.00 0.00 N ATOM 330 CA LEU A 403 -1.979 3.783 1.608 1.00 0.00 C ATOM 331 C LEU A 403 -1.592 2.672 2.579 1.00 0.00 C ATOM 332 O LEU A 403 -0.412 2.366 2.750 1.00 0.00 O ATOM 333 CB LEU A 403 -1.495 3.435 0.199 1.00 0.00 C ATOM 334 CG LEU A 403 -2.218 4.136 -0.951 1.00 0.00 C ATOM 335 CD1 LEU A 403 -1.765 3.572 -2.289 1.00 0.00 C ATOM 336 CD2 LEU A 403 -3.725 4.000 -0.795 1.00 0.00 C ATOM 0 H LEU A 403 -0.597 4.988 2.628 1.00 0.00 H new ATOM 0 HA LEU A 403 -3.065 3.873 1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 403 -0.433 3.672 0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 403 -1.591 2.358 0.059 1.00 0.00 H new ATOM 0 HG LEU A 403 -1.964 5.196 -0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 403 -2.290 4.083 -3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 403 -0.691 3.722 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 403 -1.988 2.506 -2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 403 -4.223 4.505 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 403 -3.997 2.945 -0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 403 -4.036 4.453 0.147 1.00 0.00 H new ATOM 348 N PHE A 404 -2.594 2.070 3.210 1.00 0.00 N ATOM 349 CA PHE A 404 -2.360 0.991 4.163 1.00 0.00 C ATOM 350 C PHE A 404 -3.165 -0.250 3.789 1.00 0.00 C ATOM 351 O PHE A 404 -4.395 -0.247 3.849 1.00 0.00 O ATOM 352 CB PHE A 404 -2.728 1.444 5.578 1.00 0.00 C ATOM 353 CG PHE A 404 -1.747 2.416 6.170 1.00 0.00 C ATOM 354 CD1 PHE A 404 -1.559 3.664 5.601 1.00 0.00 C ATOM 355 CD2 PHE A 404 -1.013 2.080 7.296 1.00 0.00 C ATOM 356 CE1 PHE A 404 -0.658 4.560 6.144 1.00 0.00 C ATOM 357 CE2 PHE A 404 -0.111 2.971 7.844 1.00 0.00 C ATOM 358 CZ PHE A 404 0.067 4.214 7.267 1.00 0.00 C ATOM 0 H PHE A 404 -3.576 2.311 3.079 1.00 0.00 H new ATOM 0 HA PHE A 404 -1.300 0.737 4.133 1.00 0.00 H new ATOM 0 HB2 PHE A 404 -3.716 1.904 5.558 1.00 0.00 H new ATOM 0 HB3 PHE A 404 -2.796 0.569 6.225 1.00 0.00 H new ATOM 0 HD1 PHE A 404 -2.123 3.941 4.723 1.00 0.00 H new ATOM 0 HD2 PHE A 404 -1.148 1.110 7.751 1.00 0.00 H new ATOM 0 HE1 PHE A 404 -0.521 5.530 5.690 1.00 0.00 H new ATOM 0 HE2 PHE A 404 0.454 2.697 8.722 1.00 0.00 H new ATOM 0 HZ PHE A 404 0.771 4.913 7.693 1.00 0.00 H new ATOM 368 N ILE A 405 -2.462 -1.309 3.404 1.00 0.00 N ATOM 369 CA ILE A 405 -3.109 -2.557 3.021 1.00 0.00 C ATOM 370 C ILE A 405 -3.272 -3.484 4.221 1.00 0.00 C ATOM 371 O ILE A 405 -2.353 -3.643 5.024 1.00 0.00 O ATOM 372 CB ILE A 405 -2.315 -3.291 1.924 1.00 0.00 C ATOM 373 CG1 ILE A 405 -2.185 -2.409 0.680 1.00 0.00 C ATOM 374 CG2 ILE A 405 -2.987 -4.611 1.576 1.00 0.00 C ATOM 375 CD1 ILE A 405 -1.339 -1.174 0.901 1.00 0.00 C ATOM 0 H ILE A 405 -1.444 -1.328 3.349 1.00 0.00 H new ATOM 0 HA ILE A 405 -4.093 -2.294 2.632 1.00 0.00 H new ATOM 0 HB ILE A 405 -1.315 -3.503 2.302 1.00 0.00 H new ATOM 0 HG12 ILE A 405 -1.751 -2.997 -0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 405 -3.180 -2.105 0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 405 -2.414 -5.117 0.799 1.00 0.00 H new ATOM 0 HG22 ILE A 405 -3.032 -5.242 2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 405 -3.998 -4.421 1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 405 -1.290 -0.596 -0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 405 -1.784 -0.564 1.688 1.00 0.00 H new ATOM 0 HD13 ILE A 405 -0.333 -1.470 1.197 1.00 0.00 H new ATOM 387 N TYR A 406 -4.447 -4.093 4.336 1.00 0.00 N ATOM 388 CA TYR A 406 -4.731 -5.004 5.439 1.00 0.00 C ATOM 389 C TYR A 406 -5.263 -6.337 4.921 1.00 0.00 C ATOM 390 O TYR A 406 -5.592 -6.472 3.742 1.00 0.00 O ATOM 391 CB TYR A 406 -5.742 -4.376 6.399 1.00 0.00 C ATOM 392 CG TYR A 406 -5.283 -3.061 6.987 1.00 0.00 C ATOM 393 CD1 TYR A 406 -4.326 -3.023 7.993 1.00 0.00 C ATOM 394 CD2 TYR A 406 -5.807 -1.855 6.536 1.00 0.00 C ATOM 395 CE1 TYR A 406 -3.904 -1.824 8.533 1.00 0.00 C ATOM 396 CE2 TYR A 406 -5.390 -0.651 7.068 1.00 0.00 C ATOM 397 CZ TYR A 406 -4.439 -0.640 8.068 1.00 0.00 C ATOM 398 OH TYR A 406 -4.022 0.556 8.602 1.00 0.00 O ATOM 0 H TYR A 406 -5.218 -3.972 3.679 1.00 0.00 H new ATOM 0 HA TYR A 406 -3.799 -5.189 5.974 1.00 0.00 H new ATOM 0 HB2 TYR A 406 -6.683 -4.220 5.871 1.00 0.00 H new ATOM 0 HB3 TYR A 406 -5.944 -5.076 7.210 1.00 0.00 H new ATOM 0 HD1 TYR A 406 -3.904 -3.947 8.359 1.00 0.00 H new ATOM 0 HD2 TYR A 406 -6.554 -1.860 5.756 1.00 0.00 H new ATOM 0 HE1 TYR A 406 -3.159 -1.813 9.315 1.00 0.00 H new ATOM 0 HE2 TYR A 406 -5.806 0.277 6.704 1.00 0.00 H new ATOM 0 HH TYR A 406 -4.496 1.293 8.163 1.00 0.00 H new ATOM 408 N HIS A 407 -5.346 -7.320 5.812 1.00 0.00 N ATOM 409 CA HIS A 407 -5.840 -8.643 5.447 1.00 0.00 C ATOM 410 C HIS A 407 -5.060 -9.207 4.264 1.00 0.00 C ATOM 411 O HIS A 407 -5.644 -9.607 3.256 1.00 0.00 O ATOM 412 CB HIS A 407 -7.330 -8.578 5.107 1.00 0.00 C ATOM 413 CG HIS A 407 -8.167 -7.977 6.194 1.00 0.00 C ATOM 414 ND1 HIS A 407 -8.269 -6.700 6.628 1.00 0.00 N flip ATOM 415 CD2 HIS A 407 -9.029 -8.717 6.976 1.00 0.00 C flip ATOM 416 CE1 HIS A 407 -9.183 -6.691 7.654 1.00 0.00 C flip ATOM 417 NE2 HIS A 407 -9.627 -7.920 7.842 1.00 0.00 N flip ATOM 0 H HIS A 407 -5.078 -7.225 6.792 1.00 0.00 H new ATOM 0 HA HIS A 407 -5.698 -9.305 6.301 1.00 0.00 H new ATOM 0 HB2 HIS A 407 -7.461 -7.996 4.195 1.00 0.00 H new ATOM 0 HB3 HIS A 407 -7.691 -9.585 4.897 1.00 0.00 H new ATOM 0 HD2 HIS A 407 -9.190 -9.782 6.893 1.00 0.00 H new ATOM 0 HE1 HIS A 407 -9.488 -5.820 8.215 1.00 0.00 H new ATOM 0 HE2 HIS A 407 -10.315 -8.205 8.538 1.00 0.00 H new ATOM 425 N LEU A 408 -3.738 -9.235 4.393 1.00 0.00 N ATOM 426 CA LEU A 408 -2.877 -9.749 3.334 1.00 0.00 C ATOM 427 C LEU A 408 -2.556 -11.223 3.560 1.00 0.00 C ATOM 428 O LEU A 408 -2.382 -11.680 4.691 1.00 0.00 O ATOM 429 CB LEU A 408 -1.581 -8.938 3.264 1.00 0.00 C ATOM 430 CG LEU A 408 -1.679 -7.574 2.580 1.00 0.00 C ATOM 431 CD1 LEU A 408 -0.452 -6.732 2.894 1.00 0.00 C ATOM 432 CD2 LEU A 408 -1.844 -7.742 1.077 1.00 0.00 C ATOM 0 H LEU A 408 -3.239 -8.908 5.220 1.00 0.00 H new ATOM 0 HA LEU A 408 -3.410 -9.653 2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -1.215 -8.787 4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -0.832 -9.532 2.740 1.00 0.00 H new ATOM 0 HG LEU A 408 -2.558 -7.057 2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -0.538 -5.765 2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -0.379 -6.583 3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 408 0.442 -7.244 2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -1.912 -6.761 0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -0.985 -8.279 0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 408 -2.753 -8.307 0.872 1.00 0.00 H new ATOM 444 N PRO A 409 -2.473 -11.987 2.460 1.00 0.00 N ATOM 445 CA PRO A 409 -2.171 -13.420 2.513 1.00 0.00 C ATOM 446 C PRO A 409 -0.686 -13.691 2.728 1.00 0.00 C ATOM 447 O PRO A 409 0.160 -12.857 2.405 1.00 0.00 O ATOM 448 CB PRO A 409 -2.613 -13.927 1.138 1.00 0.00 C ATOM 449 CG PRO A 409 -2.473 -12.748 0.237 1.00 0.00 C ATOM 450 CD PRO A 409 -2.669 -11.510 1.082 1.00 0.00 C ATOM 0 HA PRO A 409 -2.674 -13.912 3.346 1.00 0.00 H new ATOM 0 HB2 PRO A 409 -1.991 -14.757 0.803 1.00 0.00 H new ATOM 0 HB3 PRO A 409 -3.641 -14.288 1.161 1.00 0.00 H new ATOM 0 HG2 PRO A 409 -1.490 -12.740 -0.235 1.00 0.00 H new ATOM 0 HG3 PRO A 409 -3.211 -12.787 -0.564 1.00 0.00 H new ATOM 0 HD2 PRO A 409 -1.951 -10.732 0.823 1.00 0.00 H new ATOM 0 HD3 PRO A 409 -3.663 -11.085 0.944 1.00 0.00 H new ATOM 458 N GLN A 410 -0.376 -14.863 3.276 1.00 0.00 N ATOM 459 CA GLN A 410 1.008 -15.242 3.534 1.00 0.00 C ATOM 460 C GLN A 410 1.816 -15.268 2.240 1.00 0.00 C ATOM 461 O GLN A 410 2.987 -14.891 2.222 1.00 0.00 O ATOM 462 CB GLN A 410 1.065 -16.612 4.211 1.00 0.00 C ATOM 463 CG GLN A 410 2.357 -16.860 4.975 1.00 0.00 C ATOM 464 CD GLN A 410 2.223 -17.966 6.003 1.00 0.00 C ATOM 465 OE1 GLN A 410 2.034 -19.132 5.656 1.00 0.00 O ATOM 466 NE2 GLN A 410 2.322 -17.605 7.277 1.00 0.00 N ATOM 0 H GLN A 410 -1.064 -15.565 3.549 1.00 0.00 H new ATOM 0 HA GLN A 410 1.445 -14.497 4.199 1.00 0.00 H new ATOM 0 HB2 GLN A 410 0.223 -16.704 4.897 1.00 0.00 H new ATOM 0 HB3 GLN A 410 0.946 -17.387 3.454 1.00 0.00 H new ATOM 0 HG2 GLN A 410 3.148 -17.118 4.270 1.00 0.00 H new ATOM 0 HG3 GLN A 410 2.662 -15.940 5.474 1.00 0.00 H new ATOM 0 HE21 GLN A 410 2.479 -16.627 7.519 1.00 0.00 H new ATOM 0 HE22 GLN A 410 2.241 -18.306 8.013 1.00 0.00 H new ATOM 475 N GLU A 411 1.182 -15.714 1.160 1.00 0.00 N ATOM 476 CA GLU A 411 1.843 -15.789 -0.137 1.00 0.00 C ATOM 477 C GLU A 411 2.311 -14.409 -0.589 1.00 0.00 C ATOM 478 O GLU A 411 3.187 -14.288 -1.446 1.00 0.00 O ATOM 479 CB GLU A 411 0.898 -16.388 -1.182 1.00 0.00 C ATOM 480 CG GLU A 411 -0.190 -15.429 -1.638 1.00 0.00 C ATOM 481 CD GLU A 411 -1.448 -16.147 -2.084 1.00 0.00 C ATOM 482 OE1 GLU A 411 -2.229 -16.574 -1.207 1.00 0.00 O ATOM 483 OE2 GLU A 411 -1.654 -16.281 -3.308 1.00 0.00 O ATOM 0 H GLU A 411 0.212 -16.029 1.158 1.00 0.00 H new ATOM 0 HA GLU A 411 2.716 -16.434 -0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 411 1.480 -16.703 -2.048 1.00 0.00 H new ATOM 0 HB3 GLU A 411 0.432 -17.283 -0.769 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -0.434 -14.748 -0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 411 0.188 -14.821 -2.460 1.00 0.00 H new ATOM 490 N PHE A 412 1.723 -13.370 -0.007 1.00 0.00 N ATOM 491 CA PHE A 412 2.077 -11.998 -0.351 1.00 0.00 C ATOM 492 C PHE A 412 3.212 -11.492 0.535 1.00 0.00 C ATOM 493 O PHE A 412 3.125 -11.538 1.761 1.00 0.00 O ATOM 494 CB PHE A 412 0.858 -11.084 -0.211 1.00 0.00 C ATOM 495 CG PHE A 412 0.076 -10.927 -1.483 1.00 0.00 C ATOM 496 CD1 PHE A 412 -0.405 -12.039 -2.157 1.00 0.00 C ATOM 497 CD2 PHE A 412 -0.178 -9.670 -2.006 1.00 0.00 C ATOM 498 CE1 PHE A 412 -1.125 -11.899 -3.328 1.00 0.00 C ATOM 499 CE2 PHE A 412 -0.899 -9.524 -3.177 1.00 0.00 C ATOM 500 CZ PHE A 412 -1.372 -10.640 -3.839 1.00 0.00 C ATOM 0 H PHE A 412 0.998 -13.452 0.706 1.00 0.00 H new ATOM 0 HA PHE A 412 2.415 -11.984 -1.387 1.00 0.00 H new ATOM 0 HB2 PHE A 412 0.202 -11.483 0.562 1.00 0.00 H new ATOM 0 HB3 PHE A 412 1.188 -10.101 0.127 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -0.215 -13.026 -1.762 1.00 0.00 H new ATOM 0 HD2 PHE A 412 0.191 -8.794 -1.494 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -1.494 -12.773 -3.843 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -1.092 -8.538 -3.573 1.00 0.00 H new ATOM 0 HZ PHE A 412 -1.934 -10.528 -4.755 1.00 0.00 H new ATOM 510 N GLY A 413 4.278 -11.009 -0.097 1.00 0.00 N ATOM 511 CA GLY A 413 5.415 -10.502 0.648 1.00 0.00 C ATOM 512 C GLY A 413 5.618 -9.013 0.453 1.00 0.00 C ATOM 513 O GLY A 413 4.653 -8.252 0.378 1.00 0.00 O ATOM 0 H GLY A 413 4.374 -10.960 -1.111 1.00 0.00 H new ATOM 0 HA2 GLY A 413 5.273 -10.710 1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 413 6.315 -11.032 0.337 1.00 0.00 H new ATOM 517 N ASP A 414 6.878 -8.596 0.372 1.00 0.00 N ATOM 518 CA ASP A 414 7.205 -7.186 0.184 1.00 0.00 C ATOM 519 C ASP A 414 7.003 -6.770 -1.269 1.00 0.00 C ATOM 520 O ASP A 414 6.219 -5.868 -1.562 1.00 0.00 O ATOM 521 CB ASP A 414 8.648 -6.916 0.610 1.00 0.00 C ATOM 522 CG ASP A 414 9.591 -8.031 0.201 1.00 0.00 C ATOM 523 OD1 ASP A 414 9.661 -9.045 0.927 1.00 0.00 O ATOM 524 OD2 ASP A 414 10.258 -7.889 -0.845 1.00 0.00 O ATOM 0 H ASP A 414 7.688 -9.213 0.433 1.00 0.00 H new ATOM 0 HA ASP A 414 6.534 -6.596 0.807 1.00 0.00 H new ATOM 0 HB2 ASP A 414 8.985 -5.979 0.168 1.00 0.00 H new ATOM 0 HB3 ASP A 414 8.687 -6.790 1.692 1.00 0.00 H new ATOM 529 N GLN A 415 7.716 -7.433 -2.173 1.00 0.00 N ATOM 530 CA GLN A 415 7.616 -7.130 -3.597 1.00 0.00 C ATOM 531 C GLN A 415 6.180 -7.282 -4.086 1.00 0.00 C ATOM 532 O GLN A 415 5.598 -6.346 -4.635 1.00 0.00 O ATOM 533 CB GLN A 415 8.540 -8.045 -4.401 1.00 0.00 C ATOM 534 CG GLN A 415 10.007 -7.654 -4.315 1.00 0.00 C ATOM 535 CD GLN A 415 10.353 -6.484 -5.215 1.00 0.00 C ATOM 536 OE1 GLN A 415 9.725 -6.277 -6.254 1.00 0.00 O ATOM 537 NE2 GLN A 415 11.359 -5.711 -4.821 1.00 0.00 N ATOM 0 H GLN A 415 8.369 -8.183 -1.946 1.00 0.00 H new ATOM 0 HA GLN A 415 7.923 -6.095 -3.745 1.00 0.00 H new ATOM 0 HB2 GLN A 415 8.424 -9.069 -4.045 1.00 0.00 H new ATOM 0 HB3 GLN A 415 8.230 -8.034 -5.446 1.00 0.00 H new ATOM 0 HG2 GLN A 415 10.251 -7.399 -3.284 1.00 0.00 H new ATOM 0 HG3 GLN A 415 10.624 -8.511 -4.586 1.00 0.00 H new ATOM 0 HE21 GLN A 415 11.852 -5.919 -3.953 1.00 0.00 H new ATOM 0 HE22 GLN A 415 11.638 -4.909 -5.387 1.00 0.00 H new ATOM 546 N ASP A 416 5.613 -8.466 -3.883 1.00 0.00 N ATOM 547 CA ASP A 416 4.244 -8.741 -4.304 1.00 0.00 C ATOM 548 C ASP A 416 3.361 -7.510 -4.119 1.00 0.00 C ATOM 549 O ASP A 416 2.507 -7.215 -4.956 1.00 0.00 O ATOM 550 CB ASP A 416 3.672 -9.917 -3.511 1.00 0.00 C ATOM 551 CG ASP A 416 4.344 -11.230 -3.857 1.00 0.00 C ATOM 552 OD1 ASP A 416 4.384 -11.579 -5.056 1.00 0.00 O ATOM 553 OD2 ASP A 416 4.832 -11.910 -2.929 1.00 0.00 O ATOM 0 H ASP A 416 6.080 -9.251 -3.429 1.00 0.00 H new ATOM 0 HA ASP A 416 4.260 -8.999 -5.363 1.00 0.00 H new ATOM 0 HB2 ASP A 416 3.788 -9.723 -2.445 1.00 0.00 H new ATOM 0 HB3 ASP A 416 2.603 -9.997 -3.706 1.00 0.00 H new ATOM 558 N LEU A 417 3.574 -6.795 -3.019 1.00 0.00 N ATOM 559 CA LEU A 417 2.798 -5.596 -2.725 1.00 0.00 C ATOM 560 C LEU A 417 3.179 -4.456 -3.664 1.00 0.00 C ATOM 561 O LEU A 417 2.320 -3.865 -4.320 1.00 0.00 O ATOM 562 CB LEU A 417 3.014 -5.169 -1.272 1.00 0.00 C ATOM 563 CG LEU A 417 2.121 -4.036 -0.764 1.00 0.00 C ATOM 564 CD1 LEU A 417 0.691 -4.525 -0.583 1.00 0.00 C ATOM 565 CD2 LEU A 417 2.663 -3.473 0.540 1.00 0.00 C ATOM 0 H LEU A 417 4.277 -7.025 -2.317 1.00 0.00 H new ATOM 0 HA LEU A 417 1.744 -5.829 -2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 417 2.862 -6.039 -0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 417 4.054 -4.865 -1.155 1.00 0.00 H new ATOM 0 HG LEU A 417 2.120 -3.239 -1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 417 0.069 -3.706 -0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 417 0.304 -4.879 -1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 417 0.674 -5.340 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 417 2.015 -2.668 0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 417 2.695 -4.262 1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 417 3.669 -3.085 0.379 1.00 0.00 H new ATOM 577 N LEU A 418 4.470 -4.154 -3.725 1.00 0.00 N ATOM 578 CA LEU A 418 4.966 -3.085 -4.586 1.00 0.00 C ATOM 579 C LEU A 418 4.518 -3.297 -6.029 1.00 0.00 C ATOM 580 O LEU A 418 4.134 -2.350 -6.714 1.00 0.00 O ATOM 581 CB LEU A 418 6.493 -3.017 -4.518 1.00 0.00 C ATOM 582 CG LEU A 418 7.164 -2.038 -5.483 1.00 0.00 C ATOM 583 CD1 LEU A 418 6.921 -0.603 -5.043 1.00 0.00 C ATOM 584 CD2 LEU A 418 8.656 -2.323 -5.580 1.00 0.00 C ATOM 0 H LEU A 418 5.193 -4.634 -3.189 1.00 0.00 H new ATOM 0 HA LEU A 418 4.550 -2.142 -4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 418 6.780 -2.748 -3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 418 6.890 -4.014 -4.709 1.00 0.00 H new ATOM 0 HG LEU A 418 6.724 -2.172 -6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 418 7.406 0.079 -5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 418 5.849 -0.404 -5.026 1.00 0.00 H new ATOM 0 HD13 LEU A 418 7.333 -0.454 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 418 9.117 -1.617 -6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 418 9.111 -2.217 -4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 418 8.809 -3.339 -5.943 1.00 0.00 H new ATOM 596 N GLN A 419 4.570 -4.545 -6.482 1.00 0.00 N ATOM 597 CA GLN A 419 4.167 -4.880 -7.842 1.00 0.00 C ATOM 598 C GLN A 419 2.650 -4.978 -7.954 1.00 0.00 C ATOM 599 O GLN A 419 2.103 -5.070 -9.052 1.00 0.00 O ATOM 600 CB GLN A 419 4.807 -6.201 -8.275 1.00 0.00 C ATOM 601 CG GLN A 419 6.327 -6.174 -8.261 1.00 0.00 C ATOM 602 CD GLN A 419 6.906 -5.283 -9.342 1.00 0.00 C ATOM 603 OE1 GLN A 419 6.673 -4.075 -9.358 1.00 0.00 O ATOM 604 NE2 GLN A 419 7.667 -5.878 -10.253 1.00 0.00 N ATOM 0 H GLN A 419 4.887 -5.340 -5.928 1.00 0.00 H new ATOM 0 HA GLN A 419 4.510 -4.083 -8.501 1.00 0.00 H new ATOM 0 HB2 GLN A 419 4.460 -6.997 -7.616 1.00 0.00 H new ATOM 0 HB3 GLN A 419 4.466 -6.448 -9.280 1.00 0.00 H new ATOM 0 HG2 GLN A 419 6.671 -5.827 -7.287 1.00 0.00 H new ATOM 0 HG3 GLN A 419 6.706 -7.188 -8.390 1.00 0.00 H new ATOM 0 HE21 GLN A 419 7.834 -6.883 -10.201 1.00 0.00 H new ATOM 0 HE22 GLN A 419 8.085 -5.330 -11.005 1.00 0.00 H new ATOM 613 N MET A 420 1.975 -4.956 -6.809 1.00 0.00 N ATOM 614 CA MET A 420 0.519 -5.040 -6.778 1.00 0.00 C ATOM 615 C MET A 420 -0.109 -3.662 -6.962 1.00 0.00 C ATOM 616 O MET A 420 -1.158 -3.527 -7.593 1.00 0.00 O ATOM 617 CB MET A 420 0.050 -5.655 -5.458 1.00 0.00 C ATOM 618 CG MET A 420 -1.456 -5.601 -5.265 1.00 0.00 C ATOM 619 SD MET A 420 -2.303 -7.009 -6.007 1.00 0.00 S ATOM 620 CE MET A 420 -3.166 -7.673 -4.586 1.00 0.00 C ATOM 0 H MET A 420 2.413 -4.881 -5.891 1.00 0.00 H new ATOM 0 HA MET A 420 0.199 -5.678 -7.602 1.00 0.00 H new ATOM 0 HB2 MET A 420 0.377 -6.694 -5.414 1.00 0.00 H new ATOM 0 HB3 MET A 420 0.533 -5.134 -4.632 1.00 0.00 H new ATOM 0 HG2 MET A 420 -1.681 -5.568 -4.199 1.00 0.00 H new ATOM 0 HG3 MET A 420 -1.841 -4.679 -5.701 1.00 0.00 H new ATOM 0 HE1 MET A 420 -3.202 -8.760 -4.657 1.00 0.00 H new ATOM 0 HE2 MET A 420 -2.641 -7.386 -3.675 1.00 0.00 H new ATOM 0 HE3 MET A 420 -4.181 -7.277 -4.559 1.00 0.00 H new ATOM 630 N PHE A 421 0.538 -2.643 -6.407 1.00 0.00 N ATOM 631 CA PHE A 421 0.042 -1.275 -6.510 1.00 0.00 C ATOM 632 C PHE A 421 0.757 -0.519 -7.625 1.00 0.00 C ATOM 633 O PHE A 421 0.243 0.470 -8.147 1.00 0.00 O ATOM 634 CB PHE A 421 0.227 -0.542 -5.180 1.00 0.00 C ATOM 635 CG PHE A 421 -0.829 -0.866 -4.163 1.00 0.00 C ATOM 636 CD1 PHE A 421 -1.121 -2.182 -3.843 1.00 0.00 C ATOM 637 CD2 PHE A 421 -1.532 0.145 -3.529 1.00 0.00 C ATOM 638 CE1 PHE A 421 -2.093 -2.483 -2.908 1.00 0.00 C ATOM 639 CE2 PHE A 421 -2.505 -0.149 -2.593 1.00 0.00 C ATOM 640 CZ PHE A 421 -2.787 -1.466 -2.282 1.00 0.00 C ATOM 0 H PHE A 421 1.407 -2.738 -5.881 1.00 0.00 H new ATOM 0 HA PHE A 421 -1.021 -1.317 -6.749 1.00 0.00 H new ATOM 0 HB2 PHE A 421 1.205 -0.794 -4.769 1.00 0.00 H new ATOM 0 HB3 PHE A 421 0.225 0.532 -5.364 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -0.583 -2.982 -4.330 1.00 0.00 H new ATOM 0 HD2 PHE A 421 -1.317 1.176 -3.769 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -2.310 -3.513 -2.667 1.00 0.00 H new ATOM 0 HE2 PHE A 421 -3.045 0.649 -2.105 1.00 0.00 H new ATOM 0 HZ PHE A 421 -3.548 -1.699 -1.552 1.00 0.00 H new ATOM 650 N MET A 422 1.946 -0.991 -7.984 1.00 0.00 N ATOM 651 CA MET A 422 2.732 -0.360 -9.038 1.00 0.00 C ATOM 652 C MET A 422 1.890 -0.149 -10.292 1.00 0.00 C ATOM 653 O MET A 422 1.905 0.918 -10.907 1.00 0.00 O ATOM 654 CB MET A 422 3.959 -1.214 -9.369 1.00 0.00 C ATOM 655 CG MET A 422 5.198 -0.828 -8.580 1.00 0.00 C ATOM 656 SD MET A 422 6.180 0.441 -9.404 1.00 0.00 S ATOM 657 CE MET A 422 7.746 -0.409 -9.586 1.00 0.00 C ATOM 0 H MET A 422 2.386 -1.808 -7.561 1.00 0.00 H new ATOM 0 HA MET A 422 3.063 0.614 -8.677 1.00 0.00 H new ATOM 0 HB2 MET A 422 3.726 -2.261 -9.175 1.00 0.00 H new ATOM 0 HB3 MET A 422 4.175 -1.128 -10.434 1.00 0.00 H new ATOM 0 HG2 MET A 422 4.899 -0.468 -7.595 1.00 0.00 H new ATOM 0 HG3 MET A 422 5.814 -1.713 -8.423 1.00 0.00 H new ATOM 0 HE1 MET A 422 8.461 0.248 -10.081 1.00 0.00 H new ATOM 0 HE2 MET A 422 8.127 -0.685 -8.603 1.00 0.00 H new ATOM 0 HE3 MET A 422 7.604 -1.308 -10.185 1.00 0.00 H new ATOM 667 N PRO A 423 1.139 -1.190 -10.683 1.00 0.00 N ATOM 668 CA PRO A 423 0.277 -1.142 -11.868 1.00 0.00 C ATOM 669 C PRO A 423 -0.584 0.116 -11.908 1.00 0.00 C ATOM 670 O PRO A 423 -0.750 0.733 -12.961 1.00 0.00 O ATOM 671 CB PRO A 423 -0.602 -2.386 -11.717 1.00 0.00 C ATOM 672 CG PRO A 423 0.210 -3.326 -10.895 1.00 0.00 C ATOM 673 CD PRO A 423 1.073 -2.492 -9.999 1.00 0.00 C ATOM 0 HA PRO A 423 0.855 -1.120 -12.792 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -1.546 -2.147 -11.228 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -0.846 -2.818 -12.687 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -0.435 -3.981 -10.309 1.00 0.00 H new ATOM 0 HG3 PRO A 423 0.821 -3.966 -11.532 1.00 0.00 H new ATOM 0 HD2 PRO A 423 0.641 -2.398 -9.003 1.00 0.00 H new ATOM 0 HD3 PRO A 423 2.064 -2.930 -9.877 1.00 0.00 H new ATOM 681 N PHE A 424 -1.129 0.492 -10.756 1.00 0.00 N ATOM 682 CA PHE A 424 -1.973 1.677 -10.660 1.00 0.00 C ATOM 683 C PHE A 424 -1.160 2.946 -10.904 1.00 0.00 C ATOM 684 O PHE A 424 -1.658 3.916 -11.472 1.00 0.00 O ATOM 685 CB PHE A 424 -2.643 1.743 -9.286 1.00 0.00 C ATOM 686 CG PHE A 424 -3.697 0.693 -9.082 1.00 0.00 C ATOM 687 CD1 PHE A 424 -3.368 -0.546 -8.558 1.00 0.00 C ATOM 688 CD2 PHE A 424 -5.018 0.946 -9.416 1.00 0.00 C ATOM 689 CE1 PHE A 424 -4.336 -1.514 -8.369 1.00 0.00 C ATOM 690 CE2 PHE A 424 -5.991 -0.018 -9.229 1.00 0.00 C ATOM 691 CZ PHE A 424 -5.650 -1.250 -8.705 1.00 0.00 C ATOM 0 H PHE A 424 -1.001 -0.007 -9.876 1.00 0.00 H new ATOM 0 HA PHE A 424 -2.743 1.607 -11.428 1.00 0.00 H new ATOM 0 HB2 PHE A 424 -1.881 1.637 -8.514 1.00 0.00 H new ATOM 0 HB3 PHE A 424 -3.093 2.728 -9.157 1.00 0.00 H new ATOM 0 HD1 PHE A 424 -2.343 -0.758 -8.294 1.00 0.00 H new ATOM 0 HD2 PHE A 424 -5.290 1.907 -9.827 1.00 0.00 H new ATOM 0 HE1 PHE A 424 -4.066 -2.476 -7.959 1.00 0.00 H new ATOM 0 HE2 PHE A 424 -7.017 0.192 -9.492 1.00 0.00 H new ATOM 0 HZ PHE A 424 -6.408 -2.005 -8.558 1.00 0.00 H new ATOM 701 N GLY A 425 0.096 2.929 -10.467 1.00 0.00 N ATOM 702 CA GLY A 425 0.958 4.083 -10.645 1.00 0.00 C ATOM 703 C GLY A 425 2.263 3.954 -9.883 1.00 0.00 C ATOM 704 O GLY A 425 2.508 2.946 -9.224 1.00 0.00 O ATOM 0 H GLY A 425 0.531 2.137 -9.993 1.00 0.00 H new ATOM 0 HA2 GLY A 425 1.171 4.213 -11.706 1.00 0.00 H new ATOM 0 HA3 GLY A 425 0.434 4.979 -10.313 1.00 0.00 H new ATOM 708 N ASN A 426 3.103 4.981 -9.976 1.00 0.00 N ATOM 709 CA ASN A 426 4.391 4.978 -9.291 1.00 0.00 C ATOM 710 C ASN A 426 4.202 5.011 -7.778 1.00 0.00 C ATOM 711 O ASN A 426 3.539 5.901 -7.244 1.00 0.00 O ATOM 712 CB ASN A 426 5.233 6.173 -9.738 1.00 0.00 C ATOM 713 CG ASN A 426 6.721 5.889 -9.677 1.00 0.00 C ATOM 714 OD1 ASN A 426 7.467 6.577 -8.980 1.00 0.00 O ATOM 715 ND2 ASN A 426 7.160 4.870 -10.406 1.00 0.00 N ATOM 0 H ASN A 426 2.915 5.824 -10.518 1.00 0.00 H new ATOM 0 HA ASN A 426 4.912 4.057 -9.554 1.00 0.00 H new ATOM 0 HB2 ASN A 426 4.960 6.445 -10.757 1.00 0.00 H new ATOM 0 HB3 ASN A 426 5.004 7.031 -9.107 1.00 0.00 H new ATOM 0 HD21 ASN A 426 8.151 4.630 -10.403 1.00 0.00 H new ATOM 0 HD22 ASN A 426 6.506 4.327 -10.969 1.00 0.00 H new ATOM 722 N VAL A 427 4.791 4.037 -7.091 1.00 0.00 N ATOM 723 CA VAL A 427 4.690 3.957 -5.638 1.00 0.00 C ATOM 724 C VAL A 427 5.923 4.550 -4.968 1.00 0.00 C ATOM 725 O VAL A 427 7.040 4.069 -5.160 1.00 0.00 O ATOM 726 CB VAL A 427 4.514 2.501 -5.168 1.00 0.00 C ATOM 727 CG1 VAL A 427 4.367 2.442 -3.655 1.00 0.00 C ATOM 728 CG2 VAL A 427 3.315 1.861 -5.852 1.00 0.00 C ATOM 0 H VAL A 427 5.343 3.293 -7.517 1.00 0.00 H new ATOM 0 HA VAL A 427 3.811 4.533 -5.349 1.00 0.00 H new ATOM 0 HB VAL A 427 5.405 1.939 -5.446 1.00 0.00 H new ATOM 0 HG11 VAL A 427 4.244 1.405 -3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 427 5.258 2.859 -3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 427 3.494 3.019 -3.352 1.00 0.00 H new ATOM 0 HG21 VAL A 427 3.206 0.833 -5.508 1.00 0.00 H new ATOM 0 HG22 VAL A 427 2.414 2.423 -5.607 1.00 0.00 H new ATOM 0 HG23 VAL A 427 3.465 1.868 -6.932 1.00 0.00 H new ATOM 738 N VAL A 428 5.714 5.599 -4.179 1.00 0.00 N ATOM 739 CA VAL A 428 6.810 6.258 -3.477 1.00 0.00 C ATOM 740 C VAL A 428 7.491 5.306 -2.502 1.00 0.00 C ATOM 741 O VAL A 428 8.711 5.149 -2.521 1.00 0.00 O ATOM 742 CB VAL A 428 6.318 7.499 -2.708 1.00 0.00 C ATOM 743 CG1 VAL A 428 7.381 7.976 -1.730 1.00 0.00 C ATOM 744 CG2 VAL A 428 5.934 8.608 -3.675 1.00 0.00 C ATOM 0 H VAL A 428 4.796 6.011 -4.010 1.00 0.00 H new ATOM 0 HA VAL A 428 7.528 6.570 -4.235 1.00 0.00 H new ATOM 0 HB VAL A 428 5.431 7.224 -2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 428 7.016 8.853 -1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 428 7.601 7.182 -1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 428 8.288 8.235 -2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 428 5.589 9.477 -3.114 1.00 0.00 H new ATOM 0 HG22 VAL A 428 6.801 8.884 -4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 428 5.136 8.259 -4.331 1.00 0.00 H new ATOM 754 N SER A 429 6.692 4.669 -1.651 1.00 0.00 N ATOM 755 CA SER A 429 7.218 3.733 -0.664 1.00 0.00 C ATOM 756 C SER A 429 6.262 2.562 -0.464 1.00 0.00 C ATOM 757 O SER A 429 5.047 2.708 -0.591 1.00 0.00 O ATOM 758 CB SER A 429 7.457 4.444 0.670 1.00 0.00 C ATOM 759 OG SER A 429 8.728 5.070 0.692 1.00 0.00 O ATOM 0 H SER A 429 5.679 4.784 -1.625 1.00 0.00 H new ATOM 0 HA SER A 429 8.167 3.347 -1.036 1.00 0.00 H new ATOM 0 HB2 SER A 429 6.678 5.189 0.834 1.00 0.00 H new ATOM 0 HB3 SER A 429 7.388 3.725 1.487 1.00 0.00 H new ATOM 0 HG SER A 429 9.011 5.268 -0.225 1.00 0.00 H new ATOM 765 N ALA A 430 6.821 1.397 -0.149 1.00 0.00 N ATOM 766 CA ALA A 430 6.019 0.199 0.070 1.00 0.00 C ATOM 767 C ALA A 430 6.764 -0.808 0.939 1.00 0.00 C ATOM 768 O ALA A 430 7.929 -1.117 0.690 1.00 0.00 O ATOM 769 CB ALA A 430 5.636 -0.431 -1.261 1.00 0.00 C ATOM 0 H ALA A 430 7.826 1.258 -0.040 1.00 0.00 H new ATOM 0 HA ALA A 430 5.110 0.491 0.596 1.00 0.00 H new ATOM 0 HB1 ALA A 430 5.038 -1.324 -1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 430 5.057 0.282 -1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 430 6.539 -0.703 -1.808 1.00 0.00 H new ATOM 775 N LYS A 431 6.084 -1.316 1.962 1.00 0.00 N ATOM 776 CA LYS A 431 6.680 -2.290 2.870 1.00 0.00 C ATOM 777 C LYS A 431 5.602 -3.081 3.603 1.00 0.00 C ATOM 778 O LYS A 431 4.443 -2.669 3.656 1.00 0.00 O ATOM 779 CB LYS A 431 7.589 -1.585 3.881 1.00 0.00 C ATOM 780 CG LYS A 431 7.691 -2.308 5.212 1.00 0.00 C ATOM 781 CD LYS A 431 8.505 -1.511 6.218 1.00 0.00 C ATOM 782 CE LYS A 431 8.376 -2.086 7.620 1.00 0.00 C ATOM 783 NZ LYS A 431 7.230 -1.490 8.361 1.00 0.00 N ATOM 0 H LYS A 431 5.119 -1.069 2.183 1.00 0.00 H new ATOM 0 HA LYS A 431 7.276 -2.985 2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 431 8.587 -1.486 3.453 1.00 0.00 H new ATOM 0 HB3 LYS A 431 7.214 -0.576 4.053 1.00 0.00 H new ATOM 0 HG2 LYS A 431 6.691 -2.484 5.609 1.00 0.00 H new ATOM 0 HG3 LYS A 431 8.151 -3.285 5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 431 9.553 -1.509 5.919 1.00 0.00 H new ATOM 0 HD3 LYS A 431 8.171 -0.473 6.217 1.00 0.00 H new ATOM 0 HE2 LYS A 431 8.246 -3.167 7.559 1.00 0.00 H new ATOM 0 HE3 LYS A 431 9.298 -1.906 8.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 7.373 -1.618 9.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 7.167 -0.475 8.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 6.348 -1.960 8.073 1.00 0.00 H new ATOM 797 N VAL A 432 5.992 -4.218 4.170 1.00 0.00 N ATOM 798 CA VAL A 432 5.060 -5.066 4.903 1.00 0.00 C ATOM 799 C VAL A 432 5.514 -5.264 6.345 1.00 0.00 C ATOM 800 O VAL A 432 6.710 -5.350 6.624 1.00 0.00 O ATOM 801 CB VAL A 432 4.906 -6.443 4.232 1.00 0.00 C ATOM 802 CG1 VAL A 432 4.060 -7.367 5.094 1.00 0.00 C ATOM 803 CG2 VAL A 432 4.302 -6.294 2.844 1.00 0.00 C ATOM 0 H VAL A 432 6.948 -4.573 4.136 1.00 0.00 H new ATOM 0 HA VAL A 432 4.096 -4.557 4.895 1.00 0.00 H new ATOM 0 HB VAL A 432 5.895 -6.889 4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 432 3.963 -8.335 4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 432 4.539 -7.499 6.064 1.00 0.00 H new ATOM 0 HG13 VAL A 432 3.071 -6.930 5.234 1.00 0.00 H new ATOM 0 HG21 VAL A 432 4.200 -7.277 2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 432 3.320 -5.827 2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 432 4.952 -5.671 2.229 1.00 0.00 H new ATOM 813 N PHE A 433 4.552 -5.335 7.259 1.00 0.00 N ATOM 814 CA PHE A 433 4.852 -5.523 8.673 1.00 0.00 C ATOM 815 C PHE A 433 4.991 -7.005 9.008 1.00 0.00 C ATOM 816 O PHE A 433 4.334 -7.852 8.405 1.00 0.00 O ATOM 817 CB PHE A 433 3.757 -4.893 9.537 1.00 0.00 C ATOM 818 CG PHE A 433 3.878 -3.401 9.666 1.00 0.00 C ATOM 819 CD1 PHE A 433 4.043 -2.607 8.543 1.00 0.00 C ATOM 820 CD2 PHE A 433 3.825 -2.794 10.910 1.00 0.00 C ATOM 821 CE1 PHE A 433 4.154 -1.234 8.657 1.00 0.00 C ATOM 822 CE2 PHE A 433 3.934 -1.422 11.031 1.00 0.00 C ATOM 823 CZ PHE A 433 4.100 -0.641 9.904 1.00 0.00 C ATOM 0 H PHE A 433 3.557 -5.265 7.045 1.00 0.00 H new ATOM 0 HA PHE A 433 5.801 -5.031 8.886 1.00 0.00 H new ATOM 0 HB2 PHE A 433 2.784 -5.135 9.109 1.00 0.00 H new ATOM 0 HB3 PHE A 433 3.788 -5.339 10.531 1.00 0.00 H new ATOM 0 HD1 PHE A 433 4.085 -3.066 7.566 1.00 0.00 H new ATOM 0 HD2 PHE A 433 3.697 -3.400 11.795 1.00 0.00 H new ATOM 0 HE1 PHE A 433 4.283 -0.626 7.774 1.00 0.00 H new ATOM 0 HE2 PHE A 433 3.889 -0.960 12.006 1.00 0.00 H new ATOM 0 HZ PHE A 433 4.187 0.431 9.997 1.00 0.00 H new ATOM 983 N CYS A 443 -0.438 -9.530 8.091 1.00 0.00 N ATOM 984 CA CYS A 443 -1.438 -9.447 7.032 1.00 0.00 C ATOM 985 C CYS A 443 -1.781 -7.993 6.722 1.00 0.00 C ATOM 986 O CYS A 443 -2.937 -7.660 6.458 1.00 0.00 O ATOM 987 CB CYS A 443 -2.702 -10.207 7.434 1.00 0.00 C ATOM 988 SG CYS A 443 -2.414 -11.939 7.870 1.00 0.00 S ATOM 0 HA CYS A 443 -1.020 -9.903 6.135 1.00 0.00 H new ATOM 0 HB2 CYS A 443 -3.163 -9.701 8.283 1.00 0.00 H new ATOM 0 HB3 CYS A 443 -3.416 -10.164 6.612 1.00 0.00 H new ATOM 0 HG CYS A 443 -2.290 -12.645 6.785 1.00 0.00 H new ATOM 994 N PHE A 444 -0.770 -7.131 6.757 1.00 0.00 N ATOM 995 CA PHE A 444 -0.965 -5.712 6.483 1.00 0.00 C ATOM 996 C PHE A 444 0.362 -5.034 6.155 1.00 0.00 C ATOM 997 O PHE A 444 1.412 -5.423 6.663 1.00 0.00 O ATOM 998 CB PHE A 444 -1.620 -5.025 7.683 1.00 0.00 C ATOM 999 CG PHE A 444 -0.665 -4.747 8.809 1.00 0.00 C ATOM 1000 CD1 PHE A 444 0.150 -3.627 8.784 1.00 0.00 C ATOM 1001 CD2 PHE A 444 -0.584 -5.606 9.893 1.00 0.00 C ATOM 1002 CE1 PHE A 444 1.030 -3.371 9.818 1.00 0.00 C ATOM 1003 CE2 PHE A 444 0.294 -5.354 10.931 1.00 0.00 C ATOM 1004 CZ PHE A 444 1.101 -4.234 10.893 1.00 0.00 C ATOM 0 H PHE A 444 0.193 -7.390 6.972 1.00 0.00 H new ATOM 0 HA PHE A 444 -1.622 -5.621 5.618 1.00 0.00 H new ATOM 0 HB2 PHE A 444 -2.066 -4.086 7.355 1.00 0.00 H new ATOM 0 HB3 PHE A 444 -2.432 -5.652 8.052 1.00 0.00 H new ATOM 0 HD1 PHE A 444 0.097 -2.946 7.947 1.00 0.00 H new ATOM 0 HD2 PHE A 444 -1.214 -6.483 9.928 1.00 0.00 H new ATOM 0 HE1 PHE A 444 1.662 -2.496 9.785 1.00 0.00 H new ATOM 0 HE2 PHE A 444 0.349 -6.032 11.770 1.00 0.00 H new ATOM 0 HZ PHE A 444 1.787 -4.034 11.703 1.00 0.00 H new ATOM 1014 N GLY A 445 0.305 -4.017 5.301 1.00 0.00 N ATOM 1015 CA GLY A 445 1.508 -3.301 4.919 1.00 0.00 C ATOM 1016 C GLY A 445 1.264 -1.817 4.730 1.00 0.00 C ATOM 1017 O GLY A 445 0.136 -1.343 4.871 1.00 0.00 O ATOM 0 H GLY A 445 -0.553 -3.676 4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 445 2.272 -3.446 5.683 1.00 0.00 H new ATOM 0 HA3 GLY A 445 1.899 -3.723 3.993 1.00 0.00 H new ATOM 1021 N PHE A 446 2.323 -1.081 4.410 1.00 0.00 N ATOM 1022 CA PHE A 446 2.219 0.360 4.204 1.00 0.00 C ATOM 1023 C PHE A 446 2.587 0.731 2.771 1.00 0.00 C ATOM 1024 O PHE A 446 3.327 0.010 2.100 1.00 0.00 O ATOM 1025 CB PHE A 446 3.127 1.103 5.185 1.00 0.00 C ATOM 1026 CG PHE A 446 3.176 2.586 4.951 1.00 0.00 C ATOM 1027 CD1 PHE A 446 2.007 3.327 4.871 1.00 0.00 C ATOM 1028 CD2 PHE A 446 4.389 3.239 4.808 1.00 0.00 C ATOM 1029 CE1 PHE A 446 2.050 4.691 4.655 1.00 0.00 C ATOM 1030 CE2 PHE A 446 4.438 4.603 4.592 1.00 0.00 C ATOM 1031 CZ PHE A 446 3.265 5.330 4.517 1.00 0.00 C ATOM 0 H PHE A 446 3.263 -1.458 4.288 1.00 0.00 H new ATOM 0 HA PHE A 446 1.185 0.655 4.383 1.00 0.00 H new ATOM 0 HB2 PHE A 446 2.781 0.915 6.201 1.00 0.00 H new ATOM 0 HB3 PHE A 446 4.136 0.698 5.111 1.00 0.00 H new ATOM 0 HD1 PHE A 446 1.053 2.833 4.979 1.00 0.00 H new ATOM 0 HD2 PHE A 446 5.308 2.675 4.866 1.00 0.00 H new ATOM 0 HE1 PHE A 446 1.132 5.257 4.594 1.00 0.00 H new ATOM 0 HE2 PHE A 446 5.391 5.100 4.482 1.00 0.00 H new ATOM 0 HZ PHE A 446 3.299 6.397 4.351 1.00 0.00 H new ATOM 1041 N VAL A 447 2.065 1.862 2.305 1.00 0.00 N ATOM 1042 CA VAL A 447 2.338 2.331 0.953 1.00 0.00 C ATOM 1043 C VAL A 447 2.025 3.817 0.813 1.00 0.00 C ATOM 1044 O VAL A 447 1.149 4.344 1.499 1.00 0.00 O ATOM 1045 CB VAL A 447 1.521 1.544 -0.089 1.00 0.00 C ATOM 1046 CG1 VAL A 447 1.701 2.147 -1.474 1.00 0.00 C ATOM 1047 CG2 VAL A 447 1.921 0.077 -0.082 1.00 0.00 C ATOM 0 H VAL A 447 1.450 2.470 2.846 1.00 0.00 H new ATOM 0 HA VAL A 447 3.400 2.168 0.769 1.00 0.00 H new ATOM 0 HB VAL A 447 0.466 1.610 0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 447 1.117 1.578 -2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 447 1.361 3.183 -1.467 1.00 0.00 H new ATOM 0 HG13 VAL A 447 2.755 2.113 -1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 447 1.334 -0.464 -0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 447 2.980 -0.012 -0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 447 1.736 -0.346 0.905 1.00 0.00 H new ATOM 1057 N SER A 448 2.746 4.486 -0.082 1.00 0.00 N ATOM 1058 CA SER A 448 2.547 5.913 -0.311 1.00 0.00 C ATOM 1059 C SER A 448 2.870 6.281 -1.755 1.00 0.00 C ATOM 1060 O SER A 448 3.813 5.754 -2.347 1.00 0.00 O ATOM 1061 CB SER A 448 3.420 6.729 0.644 1.00 0.00 C ATOM 1062 OG SER A 448 4.795 6.454 0.439 1.00 0.00 O ATOM 0 H SER A 448 3.472 4.063 -0.660 1.00 0.00 H new ATOM 0 HA SER A 448 1.499 6.145 -0.122 1.00 0.00 H new ATOM 0 HB2 SER A 448 3.232 7.792 0.494 1.00 0.00 H new ATOM 0 HB3 SER A 448 3.150 6.499 1.675 1.00 0.00 H new ATOM 0 HG SER A 448 5.259 7.279 0.186 1.00 0.00 H new ATOM 1068 N TYR A 449 2.080 7.189 -2.317 1.00 0.00 N ATOM 1069 CA TYR A 449 2.280 7.628 -3.694 1.00 0.00 C ATOM 1070 C TYR A 449 2.878 9.030 -3.737 1.00 0.00 C ATOM 1071 O TYR A 449 3.197 9.614 -2.702 1.00 0.00 O ATOM 1072 CB TYR A 449 0.953 7.603 -4.456 1.00 0.00 C ATOM 1073 CG TYR A 449 0.561 6.226 -4.943 1.00 0.00 C ATOM 1074 CD1 TYR A 449 0.566 5.136 -4.082 1.00 0.00 C ATOM 1075 CD2 TYR A 449 0.184 6.017 -6.264 1.00 0.00 C ATOM 1076 CE1 TYR A 449 0.209 3.876 -4.522 1.00 0.00 C ATOM 1077 CE2 TYR A 449 -0.176 4.761 -6.712 1.00 0.00 C ATOM 1078 CZ TYR A 449 -0.162 3.694 -5.839 1.00 0.00 C ATOM 1079 OH TYR A 449 -0.519 2.441 -6.282 1.00 0.00 O ATOM 0 H TYR A 449 1.296 7.635 -1.841 1.00 0.00 H new ATOM 0 HA TYR A 449 2.979 6.940 -4.171 1.00 0.00 H new ATOM 0 HB2 TYR A 449 0.165 7.989 -3.809 1.00 0.00 H new ATOM 0 HB3 TYR A 449 1.022 8.276 -5.311 1.00 0.00 H new ATOM 0 HD1 TYR A 449 0.854 5.276 -3.051 1.00 0.00 H new ATOM 0 HD2 TYR A 449 0.172 6.850 -6.951 1.00 0.00 H new ATOM 0 HE1 TYR A 449 0.220 3.039 -3.840 1.00 0.00 H new ATOM 0 HE2 TYR A 449 -0.467 4.615 -7.742 1.00 0.00 H new ATOM 0 HH TYR A 449 0.103 2.152 -6.983 1.00 0.00 H new ATOM 1089 N ASP A 450 3.027 9.565 -4.945 1.00 0.00 N ATOM 1090 CA ASP A 450 3.585 10.900 -5.126 1.00 0.00 C ATOM 1091 C ASP A 450 2.546 11.971 -4.810 1.00 0.00 C ATOM 1092 O ASP A 450 2.870 13.154 -4.715 1.00 0.00 O ATOM 1093 CB ASP A 450 4.095 11.073 -6.558 1.00 0.00 C ATOM 1094 CG ASP A 450 4.091 12.522 -7.003 1.00 0.00 C ATOM 1095 OD1 ASP A 450 4.685 13.363 -6.295 1.00 0.00 O ATOM 1096 OD2 ASP A 450 3.494 12.816 -8.059 1.00 0.00 O ATOM 0 H ASP A 450 2.769 9.094 -5.812 1.00 0.00 H new ATOM 0 HA ASP A 450 4.420 11.015 -4.435 1.00 0.00 H new ATOM 0 HB2 ASP A 450 5.108 10.677 -6.630 1.00 0.00 H new ATOM 0 HB3 ASP A 450 3.474 10.486 -7.235 1.00 0.00 H new ATOM 1101 N ASN A 451 1.297 11.548 -4.649 1.00 0.00 N ATOM 1102 CA ASN A 451 0.210 12.471 -4.347 1.00 0.00 C ATOM 1103 C ASN A 451 -1.037 11.715 -3.898 1.00 0.00 C ATOM 1104 O ASN A 451 -1.194 10.521 -4.153 1.00 0.00 O ATOM 1105 CB ASN A 451 -0.114 13.331 -5.570 1.00 0.00 C ATOM 1106 CG ASN A 451 0.160 12.607 -6.874 1.00 0.00 C ATOM 1107 OD1 ASN A 451 -0.098 11.409 -6.998 1.00 0.00 O ATOM 1108 ND2 ASN A 451 0.686 13.331 -7.853 1.00 0.00 N ATOM 0 H ASN A 451 1.012 10.571 -4.723 1.00 0.00 H new ATOM 0 HA ASN A 451 0.534 13.119 -3.532 1.00 0.00 H new ATOM 0 HB2 ASN A 451 -1.162 13.627 -5.535 1.00 0.00 H new ATOM 0 HB3 ASN A 451 0.477 14.246 -5.534 1.00 0.00 H new ATOM 0 HD21 ASN A 451 0.893 12.898 -8.753 1.00 0.00 H new ATOM 0 HD22 ASN A 451 0.883 14.321 -7.706 1.00 0.00 H new ATOM 1115 N PRO A 452 -1.947 12.425 -3.216 1.00 0.00 N ATOM 1116 CA PRO A 452 -3.197 11.842 -2.719 1.00 0.00 C ATOM 1117 C PRO A 452 -4.212 11.613 -3.833 1.00 0.00 C ATOM 1118 O PRO A 452 -5.303 11.094 -3.595 1.00 0.00 O ATOM 1119 CB PRO A 452 -3.712 12.894 -1.733 1.00 0.00 C ATOM 1120 CG PRO A 452 -3.149 14.182 -2.226 1.00 0.00 C ATOM 1121 CD PRO A 452 -1.826 13.853 -2.876 1.00 0.00 C ATOM 0 HA PRO A 452 -3.040 10.860 -2.272 1.00 0.00 H new ATOM 0 HB2 PRO A 452 -4.802 12.919 -1.714 1.00 0.00 H new ATOM 0 HB3 PRO A 452 -3.381 12.680 -0.717 1.00 0.00 H new ATOM 0 HG2 PRO A 452 -3.825 14.653 -2.940 1.00 0.00 H new ATOM 0 HG3 PRO A 452 -3.013 14.885 -1.404 1.00 0.00 H new ATOM 0 HD2 PRO A 452 -1.654 14.462 -3.763 1.00 0.00 H new ATOM 0 HD3 PRO A 452 -0.992 14.034 -2.198 1.00 0.00 H new ATOM 1129 N VAL A 453 -3.847 12.004 -5.050 1.00 0.00 N ATOM 1130 CA VAL A 453 -4.727 11.840 -6.201 1.00 0.00 C ATOM 1131 C VAL A 453 -4.585 10.448 -6.807 1.00 0.00 C ATOM 1132 O VAL A 453 -5.578 9.801 -7.140 1.00 0.00 O ATOM 1133 CB VAL A 453 -4.432 12.892 -7.286 1.00 0.00 C ATOM 1134 CG1 VAL A 453 -5.327 12.675 -8.498 1.00 0.00 C ATOM 1135 CG2 VAL A 453 -4.609 14.296 -6.728 1.00 0.00 C ATOM 0 H VAL A 453 -2.948 12.436 -5.264 1.00 0.00 H new ATOM 0 HA VAL A 453 -5.747 11.975 -5.842 1.00 0.00 H new ATOM 0 HB VAL A 453 -3.396 12.780 -7.604 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -5.104 13.428 -9.254 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -5.147 11.682 -8.910 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -6.372 12.760 -8.199 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -4.397 15.027 -7.508 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -5.635 14.423 -6.381 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -3.923 14.445 -5.894 1.00 0.00 H new ATOM 1145 N SER A 454 -3.345 9.992 -6.945 1.00 0.00 N ATOM 1146 CA SER A 454 -3.073 8.677 -7.514 1.00 0.00 C ATOM 1147 C SER A 454 -3.315 7.579 -6.483 1.00 0.00 C ATOM 1148 O SER A 454 -3.763 6.484 -6.821 1.00 0.00 O ATOM 1149 CB SER A 454 -1.631 8.606 -8.022 1.00 0.00 C ATOM 1150 OG SER A 454 -1.453 7.507 -8.899 1.00 0.00 O ATOM 0 H SER A 454 -2.512 10.513 -6.671 1.00 0.00 H new ATOM 0 HA SER A 454 -3.754 8.522 -8.351 1.00 0.00 H new ATOM 0 HB2 SER A 454 -1.378 9.532 -8.538 1.00 0.00 H new ATOM 0 HB3 SER A 454 -0.948 8.515 -7.177 1.00 0.00 H new ATOM 0 HG SER A 454 -1.100 6.743 -8.398 1.00 0.00 H new ATOM 1156 N ALA A 455 -3.014 7.881 -5.224 1.00 0.00 N ATOM 1157 CA ALA A 455 -3.201 6.921 -4.143 1.00 0.00 C ATOM 1158 C ALA A 455 -4.660 6.488 -4.039 1.00 0.00 C ATOM 1159 O ALA A 455 -4.966 5.445 -3.462 1.00 0.00 O ATOM 1160 CB ALA A 455 -2.729 7.514 -2.824 1.00 0.00 C ATOM 0 H ALA A 455 -2.640 8.782 -4.928 1.00 0.00 H new ATOM 0 HA ALA A 455 -2.603 6.038 -4.367 1.00 0.00 H new ATOM 0 HB1 ALA A 455 -2.874 6.787 -2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 455 -1.671 7.767 -2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 455 -3.303 8.414 -2.604 1.00 0.00 H new ATOM 1166 N GLN A 456 -5.553 7.297 -4.599 1.00 0.00 N ATOM 1167 CA GLN A 456 -6.980 6.996 -4.567 1.00 0.00 C ATOM 1168 C GLN A 456 -7.336 5.934 -5.601 1.00 0.00 C ATOM 1169 O GLN A 456 -7.937 4.910 -5.273 1.00 0.00 O ATOM 1170 CB GLN A 456 -7.795 8.265 -4.821 1.00 0.00 C ATOM 1171 CG GLN A 456 -8.005 9.113 -3.576 1.00 0.00 C ATOM 1172 CD GLN A 456 -8.905 8.442 -2.558 1.00 0.00 C ATOM 1173 OE1 GLN A 456 -9.562 7.444 -2.855 1.00 0.00 O ATOM 1174 NE2 GLN A 456 -8.938 8.987 -1.347 1.00 0.00 N ATOM 0 H GLN A 456 -5.315 8.165 -5.080 1.00 0.00 H new ATOM 0 HA GLN A 456 -7.222 6.608 -3.577 1.00 0.00 H new ATOM 0 HB2 GLN A 456 -7.291 8.865 -5.578 1.00 0.00 H new ATOM 0 HB3 GLN A 456 -8.767 7.987 -5.229 1.00 0.00 H new ATOM 0 HG2 GLN A 456 -7.039 9.324 -3.118 1.00 0.00 H new ATOM 0 HG3 GLN A 456 -8.438 10.071 -3.863 1.00 0.00 H new ATOM 0 HE21 GLN A 456 -8.377 9.814 -1.145 1.00 0.00 H new ATOM 0 HE22 GLN A 456 -9.524 8.578 -0.619 1.00 0.00 H new ATOM 1183 N ALA A 457 -6.961 6.182 -6.851 1.00 0.00 N ATOM 1184 CA ALA A 457 -7.240 5.246 -7.933 1.00 0.00 C ATOM 1185 C ALA A 457 -7.091 3.803 -7.463 1.00 0.00 C ATOM 1186 O ALA A 457 -7.927 2.953 -7.765 1.00 0.00 O ATOM 1187 CB ALA A 457 -6.319 5.516 -9.115 1.00 0.00 C ATOM 0 H ALA A 457 -6.463 7.024 -7.140 1.00 0.00 H new ATOM 0 HA ALA A 457 -8.273 5.392 -8.250 1.00 0.00 H new ATOM 0 HB1 ALA A 457 -6.538 4.810 -9.916 1.00 0.00 H new ATOM 0 HB2 ALA A 457 -6.477 6.533 -9.475 1.00 0.00 H new ATOM 0 HB3 ALA A 457 -5.281 5.399 -8.802 1.00 0.00 H new ATOM 1193 N ALA A 458 -6.021 3.535 -6.721 1.00 0.00 N ATOM 1194 CA ALA A 458 -5.764 2.195 -6.209 1.00 0.00 C ATOM 1195 C ALA A 458 -6.845 1.768 -5.222 1.00 0.00 C ATOM 1196 O ALA A 458 -7.440 0.700 -5.364 1.00 0.00 O ATOM 1197 CB ALA A 458 -4.394 2.137 -5.549 1.00 0.00 C ATOM 0 H ALA A 458 -5.319 4.228 -6.461 1.00 0.00 H new ATOM 0 HA ALA A 458 -5.781 1.502 -7.050 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -4.215 1.131 -5.171 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -3.627 2.392 -6.280 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -4.358 2.847 -4.723 1.00 0.00 H new ATOM 1203 N ILE A 459 -7.095 2.609 -4.224 1.00 0.00 N ATOM 1204 CA ILE A 459 -8.105 2.317 -3.215 1.00 0.00 C ATOM 1205 C ILE A 459 -9.446 1.981 -3.861 1.00 0.00 C ATOM 1206 O ILE A 459 -10.102 1.013 -3.479 1.00 0.00 O ATOM 1207 CB ILE A 459 -8.297 3.503 -2.251 1.00 0.00 C ATOM 1208 CG1 ILE A 459 -6.995 3.792 -1.499 1.00 0.00 C ATOM 1209 CG2 ILE A 459 -9.427 3.214 -1.273 1.00 0.00 C ATOM 1210 CD1 ILE A 459 -7.011 5.105 -0.749 1.00 0.00 C ATOM 0 H ILE A 459 -6.612 3.498 -4.093 1.00 0.00 H new ATOM 0 HA ILE A 459 -7.748 1.455 -2.652 1.00 0.00 H new ATOM 0 HB ILE A 459 -8.563 4.386 -2.832 1.00 0.00 H new ATOM 0 HG12 ILE A 459 -6.804 2.982 -0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 459 -6.168 3.798 -2.209 1.00 0.00 H new ATOM 0 HG21 ILE A 459 -9.550 4.061 -0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 459 -10.353 3.052 -1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 459 -9.188 2.322 -0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 459 -6.057 5.245 -0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 459 -7.171 5.923 -1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 459 -7.816 5.095 -0.015 1.00 0.00 H new ATOM 1222 N GLN A 460 -9.843 2.786 -4.840 1.00 0.00 N ATOM 1223 CA GLN A 460 -11.105 2.573 -5.540 1.00 0.00 C ATOM 1224 C GLN A 460 -11.362 1.085 -5.756 1.00 0.00 C ATOM 1225 O GLN A 460 -12.375 0.548 -5.310 1.00 0.00 O ATOM 1226 CB GLN A 460 -11.096 3.302 -6.884 1.00 0.00 C ATOM 1227 CG GLN A 460 -11.305 4.802 -6.764 1.00 0.00 C ATOM 1228 CD GLN A 460 -12.759 5.173 -6.549 1.00 0.00 C ATOM 1229 OE1 GLN A 460 -13.555 4.364 -6.072 1.00 0.00 O ATOM 1230 NE2 GLN A 460 -13.114 6.404 -6.900 1.00 0.00 N ATOM 0 H GLN A 460 -9.310 3.592 -5.167 1.00 0.00 H new ATOM 0 HA GLN A 460 -11.908 2.976 -4.922 1.00 0.00 H new ATOM 0 HB2 GLN A 460 -10.145 3.115 -7.383 1.00 0.00 H new ATOM 0 HB3 GLN A 460 -11.877 2.885 -7.520 1.00 0.00 H new ATOM 0 HG2 GLN A 460 -10.710 5.183 -5.934 1.00 0.00 H new ATOM 0 HG3 GLN A 460 -10.939 5.289 -7.668 1.00 0.00 H new ATOM 0 HE21 GLN A 460 -12.422 7.042 -7.292 1.00 0.00 H new ATOM 0 HE22 GLN A 460 -14.079 6.711 -6.778 1.00 0.00 H new ATOM 1239 N SER A 461 -10.437 0.423 -6.445 1.00 0.00 N ATOM 1240 CA SER A 461 -10.566 -1.002 -6.724 1.00 0.00 C ATOM 1241 C SER A 461 -9.976 -1.833 -5.589 1.00 0.00 C ATOM 1242 O SER A 461 -10.652 -2.685 -5.013 1.00 0.00 O ATOM 1243 CB SER A 461 -9.870 -1.350 -8.041 1.00 0.00 C ATOM 1244 OG SER A 461 -10.080 -2.709 -8.386 1.00 0.00 O ATOM 0 H SER A 461 -9.591 0.851 -6.820 1.00 0.00 H new ATOM 0 HA SER A 461 -11.627 -1.236 -6.809 1.00 0.00 H new ATOM 0 HB2 SER A 461 -10.248 -0.707 -8.836 1.00 0.00 H new ATOM 0 HB3 SER A 461 -8.801 -1.155 -7.954 1.00 0.00 H new ATOM 0 HG SER A 461 -9.627 -2.906 -9.232 1.00 0.00 H new ATOM 1250 N MET A 462 -8.710 -1.579 -5.275 1.00 0.00 N ATOM 1251 CA MET A 462 -8.028 -2.304 -4.208 1.00 0.00 C ATOM 1252 C MET A 462 -8.965 -2.543 -3.028 1.00 0.00 C ATOM 1253 O MET A 462 -9.192 -3.683 -2.625 1.00 0.00 O ATOM 1254 CB MET A 462 -6.793 -1.529 -3.746 1.00 0.00 C ATOM 1255 CG MET A 462 -5.668 -1.510 -4.769 1.00 0.00 C ATOM 1256 SD MET A 462 -4.527 -2.893 -4.570 1.00 0.00 S ATOM 1257 CE MET A 462 -5.351 -4.154 -5.538 1.00 0.00 C ATOM 0 H MET A 462 -8.136 -0.878 -5.743 1.00 0.00 H new ATOM 0 HA MET A 462 -7.715 -3.271 -4.601 1.00 0.00 H new ATOM 0 HB2 MET A 462 -7.083 -0.503 -3.518 1.00 0.00 H new ATOM 0 HB3 MET A 462 -6.423 -1.969 -2.820 1.00 0.00 H new ATOM 0 HG2 MET A 462 -6.093 -1.536 -5.772 1.00 0.00 H new ATOM 0 HG3 MET A 462 -5.117 -0.574 -4.681 1.00 0.00 H new ATOM 0 HE1 MET A 462 -4.606 -4.800 -6.003 1.00 0.00 H new ATOM 0 HE2 MET A 462 -5.993 -4.749 -4.889 1.00 0.00 H new ATOM 0 HE3 MET A 462 -5.955 -3.681 -6.312 1.00 0.00 H new ATOM 1267 N ASN A 463 -9.505 -1.459 -2.479 1.00 0.00 N ATOM 1268 CA ASN A 463 -10.417 -1.552 -1.344 1.00 0.00 C ATOM 1269 C ASN A 463 -11.476 -2.623 -1.583 1.00 0.00 C ATOM 1270 O ASN A 463 -12.313 -2.495 -2.476 1.00 0.00 O ATOM 1271 CB ASN A 463 -11.089 -0.200 -1.092 1.00 0.00 C ATOM 1272 CG ASN A 463 -12.059 -0.246 0.073 1.00 0.00 C ATOM 1273 OD1 ASN A 463 -13.207 -0.666 -0.077 1.00 0.00 O ATOM 1274 ND2 ASN A 463 -11.601 0.188 1.242 1.00 0.00 N ATOM 0 H ASN A 463 -9.327 -0.508 -2.801 1.00 0.00 H new ATOM 0 HA ASN A 463 -9.837 -1.831 -0.465 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -10.325 0.552 -0.896 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -11.620 0.112 -1.991 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -12.208 0.182 2.062 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -10.642 0.527 1.320 1.00 0.00 H new ATOM 1281 N GLY A 464 -11.434 -3.680 -0.778 1.00 0.00 N ATOM 1282 CA GLY A 464 -12.395 -4.758 -0.917 1.00 0.00 C ATOM 1283 C GLY A 464 -12.094 -5.654 -2.102 1.00 0.00 C ATOM 1284 O GLY A 464 -13.002 -6.236 -2.697 1.00 0.00 O ATOM 0 H GLY A 464 -10.751 -3.809 -0.032 1.00 0.00 H new ATOM 0 HA2 GLY A 464 -12.400 -5.356 -0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 464 -13.394 -4.338 -1.028 1.00 0.00 H new ATOM 1288 N PHE A 465 -10.815 -5.767 -2.447 1.00 0.00 N ATOM 1289 CA PHE A 465 -10.396 -6.597 -3.570 1.00 0.00 C ATOM 1290 C PHE A 465 -10.494 -8.078 -3.218 1.00 0.00 C ATOM 1291 O PHE A 465 -9.944 -8.525 -2.212 1.00 0.00 O ATOM 1292 CB PHE A 465 -8.963 -6.251 -3.980 1.00 0.00 C ATOM 1293 CG PHE A 465 -8.408 -7.157 -5.042 1.00 0.00 C ATOM 1294 CD1 PHE A 465 -7.832 -8.372 -4.704 1.00 0.00 C ATOM 1295 CD2 PHE A 465 -8.463 -6.794 -6.378 1.00 0.00 C ATOM 1296 CE1 PHE A 465 -7.322 -9.207 -5.680 1.00 0.00 C ATOM 1297 CE2 PHE A 465 -7.955 -7.626 -7.357 1.00 0.00 C ATOM 1298 CZ PHE A 465 -7.382 -8.833 -7.008 1.00 0.00 C ATOM 0 H PHE A 465 -10.051 -5.294 -1.964 1.00 0.00 H new ATOM 0 HA PHE A 465 -11.064 -6.397 -4.408 1.00 0.00 H new ATOM 0 HB2 PHE A 465 -8.935 -5.223 -4.340 1.00 0.00 H new ATOM 0 HB3 PHE A 465 -8.320 -6.299 -3.101 1.00 0.00 H new ATOM 0 HD1 PHE A 465 -7.781 -8.669 -3.667 1.00 0.00 H new ATOM 0 HD2 PHE A 465 -8.908 -5.850 -6.657 1.00 0.00 H new ATOM 0 HE1 PHE A 465 -6.877 -10.152 -5.404 1.00 0.00 H new ATOM 0 HE2 PHE A 465 -8.006 -7.332 -8.395 1.00 0.00 H new ATOM 0 HZ PHE A 465 -6.982 -9.483 -7.772 1.00 0.00 H new ATOM 1308 N GLN A 466 -11.200 -8.833 -4.055 1.00 0.00 N ATOM 1309 CA GLN A 466 -11.371 -10.263 -3.831 1.00 0.00 C ATOM 1310 C GLN A 466 -10.060 -11.010 -4.054 1.00 0.00 C ATOM 1311 O GLN A 466 -9.635 -11.214 -5.192 1.00 0.00 O ATOM 1312 CB GLN A 466 -12.452 -10.820 -4.760 1.00 0.00 C ATOM 1313 CG GLN A 466 -12.910 -12.222 -4.390 1.00 0.00 C ATOM 1314 CD GLN A 466 -11.972 -13.296 -4.901 1.00 0.00 C ATOM 1315 OE1 GLN A 466 -11.303 -13.120 -5.921 1.00 0.00 O ATOM 1316 NE2 GLN A 466 -11.915 -14.418 -4.194 1.00 0.00 N ATOM 0 H GLN A 466 -11.662 -8.478 -4.893 1.00 0.00 H new ATOM 0 HA GLN A 466 -11.680 -10.408 -2.796 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -13.312 -10.150 -4.746 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -12.072 -10.829 -5.782 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -12.989 -12.300 -3.306 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -13.907 -12.393 -4.795 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -12.486 -14.522 -3.355 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -11.300 -15.176 -4.489 1.00 0.00 H new ATOM 1325 N ILE A 467 -9.423 -11.416 -2.960 1.00 0.00 N ATOM 1326 CA ILE A 467 -8.161 -12.141 -3.037 1.00 0.00 C ATOM 1327 C ILE A 467 -8.278 -13.518 -2.395 1.00 0.00 C ATOM 1328 O ILE A 467 -8.889 -13.672 -1.337 1.00 0.00 O ATOM 1329 CB ILE A 467 -7.022 -11.362 -2.351 1.00 0.00 C ATOM 1330 CG1 ILE A 467 -5.663 -11.929 -2.768 1.00 0.00 C ATOM 1331 CG2 ILE A 467 -7.182 -11.413 -0.839 1.00 0.00 C ATOM 1332 CD1 ILE A 467 -4.501 -11.022 -2.433 1.00 0.00 C ATOM 0 H ILE A 467 -9.760 -11.255 -2.011 1.00 0.00 H new ATOM 0 HA ILE A 467 -7.927 -12.255 -4.095 1.00 0.00 H new ATOM 0 HB ILE A 467 -7.072 -10.320 -2.667 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -5.515 -12.892 -2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -5.670 -12.115 -3.842 1.00 0.00 H new ATOM 0 HG21 ILE A 467 -6.370 -10.858 -0.368 1.00 0.00 H new ATOM 0 HG22 ILE A 467 -8.136 -10.967 -0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 467 -7.154 -12.450 -0.505 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -3.570 -11.488 -2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -4.626 -10.067 -2.944 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -4.468 -10.856 -1.356 1.00 0.00 H new ATOM 1344 N GLY A 468 -7.687 -14.519 -3.040 1.00 0.00 N ATOM 1345 CA GLY A 468 -7.736 -15.872 -2.516 1.00 0.00 C ATOM 1346 C GLY A 468 -9.130 -16.275 -2.079 1.00 0.00 C ATOM 1347 O GLY A 468 -9.938 -16.719 -2.894 1.00 0.00 O ATOM 0 H GLY A 468 -7.175 -14.417 -3.916 1.00 0.00 H new ATOM 0 HA2 GLY A 468 -7.383 -16.566 -3.278 1.00 0.00 H new ATOM 0 HA3 GLY A 468 -7.055 -15.955 -1.669 1.00 0.00 H new ATOM 1351 N MET A 469 -9.413 -16.121 -0.790 1.00 0.00 N ATOM 1352 CA MET A 469 -10.719 -16.473 -0.246 1.00 0.00 C ATOM 1353 C MET A 469 -11.240 -15.374 0.675 1.00 0.00 C ATOM 1354 O MET A 469 -12.286 -15.521 1.305 1.00 0.00 O ATOM 1355 CB MET A 469 -10.639 -17.797 0.515 1.00 0.00 C ATOM 1356 CG MET A 469 -10.222 -17.638 1.968 1.00 0.00 C ATOM 1357 SD MET A 469 -9.777 -19.206 2.739 1.00 0.00 S ATOM 1358 CE MET A 469 -8.231 -19.565 1.910 1.00 0.00 C ATOM 0 H MET A 469 -8.755 -15.754 -0.102 1.00 0.00 H new ATOM 0 HA MET A 469 -11.413 -16.583 -1.079 1.00 0.00 H new ATOM 0 HB2 MET A 469 -11.611 -18.288 0.476 1.00 0.00 H new ATOM 0 HB3 MET A 469 -9.930 -18.454 0.012 1.00 0.00 H new ATOM 0 HG2 MET A 469 -9.374 -16.956 2.026 1.00 0.00 H new ATOM 0 HG3 MET A 469 -11.038 -17.181 2.528 1.00 0.00 H new ATOM 0 HE1 MET A 469 -7.652 -20.269 2.508 1.00 0.00 H new ATOM 0 HE2 MET A 469 -8.435 -20.001 0.932 1.00 0.00 H new ATOM 0 HE3 MET A 469 -7.663 -18.643 1.784 1.00 0.00 H new ATOM 1368 N LYS A 470 -10.502 -14.271 0.747 1.00 0.00 N ATOM 1369 CA LYS A 470 -10.888 -13.146 1.589 1.00 0.00 C ATOM 1370 C LYS A 470 -10.830 -11.835 0.809 1.00 0.00 C ATOM 1371 O LYS A 470 -10.393 -11.807 -0.340 1.00 0.00 O ATOM 1372 CB LYS A 470 -9.975 -13.062 2.815 1.00 0.00 C ATOM 1373 CG LYS A 470 -8.498 -12.988 2.469 1.00 0.00 C ATOM 1374 CD LYS A 470 -7.635 -12.939 3.719 1.00 0.00 C ATOM 1375 CE LYS A 470 -6.192 -13.317 3.415 1.00 0.00 C ATOM 1376 NZ LYS A 470 -6.019 -14.791 3.289 1.00 0.00 N ATOM 0 H LYS A 470 -9.633 -14.133 0.232 1.00 0.00 H new ATOM 0 HA LYS A 470 -11.915 -13.308 1.918 1.00 0.00 H new ATOM 0 HB2 LYS A 470 -10.247 -12.184 3.401 1.00 0.00 H new ATOM 0 HB3 LYS A 470 -10.148 -13.933 3.447 1.00 0.00 H new ATOM 0 HG2 LYS A 470 -8.220 -13.854 1.868 1.00 0.00 H new ATOM 0 HG3 LYS A 470 -8.310 -12.103 1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 470 -7.668 -11.937 4.146 1.00 0.00 H new ATOM 0 HD3 LYS A 470 -8.040 -13.618 4.469 1.00 0.00 H new ATOM 0 HE2 LYS A 470 -5.877 -12.834 2.490 1.00 0.00 H new ATOM 0 HE3 LYS A 470 -5.544 -12.942 4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 -5.023 -15.007 3.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 -6.295 -15.250 4.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 -6.618 -15.146 2.517 1.00 0.00 H new ATOM 1390 N ARG A 471 -11.273 -10.755 1.443 1.00 0.00 N ATOM 1391 CA ARG A 471 -11.270 -9.442 0.808 1.00 0.00 C ATOM 1392 C ARG A 471 -10.175 -8.557 1.394 1.00 0.00 C ATOM 1393 O ARG A 471 -9.869 -8.636 2.585 1.00 0.00 O ATOM 1394 CB ARG A 471 -12.633 -8.768 0.978 1.00 0.00 C ATOM 1395 CG ARG A 471 -13.731 -9.392 0.133 1.00 0.00 C ATOM 1396 CD ARG A 471 -15.039 -8.629 0.267 1.00 0.00 C ATOM 1397 NE ARG A 471 -15.833 -9.099 1.400 1.00 0.00 N ATOM 1398 CZ ARG A 471 -16.360 -10.317 1.471 1.00 0.00 C ATOM 1399 NH1 ARG A 471 -16.179 -11.181 0.483 1.00 0.00 N ATOM 1400 NH2 ARG A 471 -17.071 -10.671 2.535 1.00 0.00 N ATOM 0 H ARG A 471 -11.638 -10.763 2.395 1.00 0.00 H new ATOM 0 HA ARG A 471 -11.070 -9.580 -0.255 1.00 0.00 H new ATOM 0 HB2 ARG A 471 -12.923 -8.814 2.028 1.00 0.00 H new ATOM 0 HB3 ARG A 471 -12.542 -7.713 0.719 1.00 0.00 H new ATOM 0 HG2 ARG A 471 -13.423 -9.407 -0.912 1.00 0.00 H new ATOM 0 HG3 ARG A 471 -13.880 -10.428 0.436 1.00 0.00 H new ATOM 0 HD2 ARG A 471 -14.828 -7.566 0.388 1.00 0.00 H new ATOM 0 HD3 ARG A 471 -15.617 -8.737 -0.651 1.00 0.00 H new ATOM 0 HE ARG A 471 -15.991 -8.458 2.178 1.00 0.00 H new ATOM 0 HH11 ARG A 471 -15.634 -10.912 -0.336 1.00 0.00 H new ATOM 0 HH12 ARG A 471 -16.585 -12.115 0.541 1.00 0.00 H new ATOM 0 HH21 ARG A 471 -17.213 -10.008 3.297 1.00 0.00 H new ATOM 0 HH22 ARG A 471 -17.476 -11.606 2.590 1.00 0.00 H new ATOM 1414 N LEU A 472 -9.590 -7.713 0.552 1.00 0.00 N ATOM 1415 CA LEU A 472 -8.528 -6.813 0.986 1.00 0.00 C ATOM 1416 C LEU A 472 -9.104 -5.491 1.485 1.00 0.00 C ATOM 1417 O LEU A 472 -10.152 -5.043 1.018 1.00 0.00 O ATOM 1418 CB LEU A 472 -7.549 -6.554 -0.162 1.00 0.00 C ATOM 1419 CG LEU A 472 -6.564 -7.680 -0.470 1.00 0.00 C ATOM 1420 CD1 LEU A 472 -5.615 -7.270 -1.585 1.00 0.00 C ATOM 1421 CD2 LEU A 472 -5.785 -8.065 0.780 1.00 0.00 C ATOM 0 H LEU A 472 -9.833 -7.633 -0.435 1.00 0.00 H new ATOM 0 HA LEU A 472 -7.996 -7.291 1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 472 -8.125 -6.345 -1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 472 -6.980 -5.653 0.069 1.00 0.00 H new ATOM 0 HG LEU A 472 -7.130 -8.550 -0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 472 -4.921 -8.085 -1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 472 -6.187 -7.045 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 472 -5.056 -6.385 -1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 472 -5.088 -8.869 0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 472 -5.231 -7.200 1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 472 -6.478 -8.402 1.551 1.00 0.00 H new ATOM 1433 N LYS A 473 -8.414 -4.872 2.436 1.00 0.00 N ATOM 1434 CA LYS A 473 -8.855 -3.600 2.997 1.00 0.00 C ATOM 1435 C LYS A 473 -7.751 -2.551 2.899 1.00 0.00 C ATOM 1436 O LYS A 473 -6.793 -2.570 3.673 1.00 0.00 O ATOM 1437 CB LYS A 473 -9.273 -3.781 4.458 1.00 0.00 C ATOM 1438 CG LYS A 473 -9.594 -2.476 5.164 1.00 0.00 C ATOM 1439 CD LYS A 473 -10.222 -2.719 6.526 1.00 0.00 C ATOM 1440 CE LYS A 473 -9.167 -2.828 7.616 1.00 0.00 C ATOM 1441 NZ LYS A 473 -9.744 -3.307 8.902 1.00 0.00 N ATOM 0 H LYS A 473 -7.546 -5.230 2.835 1.00 0.00 H new ATOM 0 HA LYS A 473 -9.713 -3.255 2.420 1.00 0.00 H new ATOM 0 HB2 LYS A 473 -10.147 -4.431 4.499 1.00 0.00 H new ATOM 0 HB3 LYS A 473 -8.472 -4.288 4.996 1.00 0.00 H new ATOM 0 HG2 LYS A 473 -8.682 -1.891 5.282 1.00 0.00 H new ATOM 0 HG3 LYS A 473 -10.274 -1.886 4.549 1.00 0.00 H new ATOM 0 HD2 LYS A 473 -10.907 -1.905 6.762 1.00 0.00 H new ATOM 0 HD3 LYS A 473 -10.813 -3.635 6.497 1.00 0.00 H new ATOM 0 HE2 LYS A 473 -8.382 -3.512 7.294 1.00 0.00 H new ATOM 0 HE3 LYS A 473 -8.700 -1.855 7.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 -8.978 -3.625 9.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 -10.266 -2.532 9.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 -10.392 -4.099 8.718 1.00 0.00 H new ATOM 1455 N VAL A 474 -7.893 -1.635 1.946 1.00 0.00 N ATOM 1456 CA VAL A 474 -6.910 -0.577 1.750 1.00 0.00 C ATOM 1457 C VAL A 474 -7.474 0.780 2.157 1.00 0.00 C ATOM 1458 O VAL A 474 -8.624 1.099 1.855 1.00 0.00 O ATOM 1459 CB VAL A 474 -6.444 -0.508 0.283 1.00 0.00 C ATOM 1460 CG1 VAL A 474 -5.126 0.243 0.177 1.00 0.00 C ATOM 1461 CG2 VAL A 474 -6.319 -1.906 -0.302 1.00 0.00 C ATOM 0 H VAL A 474 -8.680 -1.605 1.298 1.00 0.00 H new ATOM 0 HA VAL A 474 -6.056 -0.817 2.384 1.00 0.00 H new ATOM 0 HB VAL A 474 -7.192 0.036 -0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 474 -4.812 0.282 -0.866 1.00 0.00 H new ATOM 0 HG12 VAL A 474 -5.254 1.257 0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 474 -4.366 -0.271 0.766 1.00 0.00 H new ATOM 0 HG21 VAL A 474 -5.989 -1.838 -1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 474 -5.591 -2.478 0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 474 -7.287 -2.405 -0.261 1.00 0.00 H new ATOM 1471 N GLN A 475 -6.658 1.572 2.844 1.00 0.00 N ATOM 1472 CA GLN A 475 -7.076 2.895 3.292 1.00 0.00 C ATOM 1473 C GLN A 475 -5.869 3.795 3.533 1.00 0.00 C ATOM 1474 O GLN A 475 -4.811 3.332 3.962 1.00 0.00 O ATOM 1475 CB GLN A 475 -7.907 2.783 4.572 1.00 0.00 C ATOM 1476 CG GLN A 475 -7.282 1.884 5.626 1.00 0.00 C ATOM 1477 CD GLN A 475 -8.312 1.264 6.549 1.00 0.00 C ATOM 1478 OE1 GLN A 475 -8.925 0.248 6.223 1.00 0.00 O ATOM 1479 NE2 GLN A 475 -8.508 1.875 7.712 1.00 0.00 N ATOM 0 H GLN A 475 -5.704 1.321 3.103 1.00 0.00 H new ATOM 0 HA GLN A 475 -7.687 3.341 2.507 1.00 0.00 H new ATOM 0 HB2 GLN A 475 -8.047 3.779 4.993 1.00 0.00 H new ATOM 0 HB3 GLN A 475 -8.896 2.401 4.321 1.00 0.00 H new ATOM 0 HG2 GLN A 475 -6.717 1.092 5.134 1.00 0.00 H new ATOM 0 HG3 GLN A 475 -6.572 2.463 6.217 1.00 0.00 H new ATOM 0 HE21 GLN A 475 -7.978 2.715 7.942 1.00 0.00 H new ATOM 0 HE22 GLN A 475 -9.189 1.504 8.375 1.00 0.00 H new ATOM 1488 N LEU A 476 -6.034 5.084 3.252 1.00 0.00 N ATOM 1489 CA LEU A 476 -4.957 6.050 3.438 1.00 0.00 C ATOM 1490 C LEU A 476 -5.016 6.671 4.830 1.00 0.00 C ATOM 1491 O LEU A 476 -6.038 7.225 5.233 1.00 0.00 O ATOM 1492 CB LEU A 476 -5.040 7.147 2.375 1.00 0.00 C ATOM 1493 CG LEU A 476 -6.062 8.255 2.632 1.00 0.00 C ATOM 1494 CD1 LEU A 476 -5.532 9.243 3.659 1.00 0.00 C ATOM 1495 CD2 LEU A 476 -6.416 8.968 1.335 1.00 0.00 C ATOM 0 H LEU A 476 -6.902 5.483 2.895 1.00 0.00 H new ATOM 0 HA LEU A 476 -4.008 5.523 3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 476 -4.056 7.604 2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 476 -5.273 6.681 1.418 1.00 0.00 H new ATOM 0 HG LEU A 476 -6.969 7.800 3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 476 -6.273 10.024 3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 476 -5.333 8.722 4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 476 -4.610 9.692 3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 476 -7.144 9.753 1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 476 -5.517 9.410 0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 476 -6.841 8.253 0.631 1.00 0.00 H new ATOM 1507 N LYS A 477 -3.910 6.575 5.562 1.00 0.00 N ATOM 1508 CA LYS A 477 -3.834 7.130 6.908 1.00 0.00 C ATOM 1509 C LYS A 477 -4.643 8.418 7.013 1.00 0.00 C ATOM 1510 O LYS A 477 -4.224 9.466 6.523 1.00 0.00 O ATOM 1511 CB LYS A 477 -2.376 7.398 7.289 1.00 0.00 C ATOM 1512 CG LYS A 477 -2.120 7.353 8.786 1.00 0.00 C ATOM 1513 CD LYS A 477 -0.685 6.961 9.094 1.00 0.00 C ATOM 1514 CE LYS A 477 -0.253 7.459 10.465 1.00 0.00 C ATOM 1515 NZ LYS A 477 -0.252 8.947 10.539 1.00 0.00 N ATOM 0 H LYS A 477 -3.055 6.118 5.245 1.00 0.00 H new ATOM 0 HA LYS A 477 -4.256 6.400 7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 477 -1.740 6.662 6.798 1.00 0.00 H new ATOM 0 HB3 LYS A 477 -2.084 8.377 6.908 1.00 0.00 H new ATOM 0 HG2 LYS A 477 -2.333 8.329 9.222 1.00 0.00 H new ATOM 0 HG3 LYS A 477 -2.801 6.640 9.251 1.00 0.00 H new ATOM 0 HD2 LYS A 477 -0.586 5.876 9.052 1.00 0.00 H new ATOM 0 HD3 LYS A 477 -0.023 7.371 8.331 1.00 0.00 H new ATOM 0 HE2 LYS A 477 -0.923 7.058 11.225 1.00 0.00 H new ATOM 0 HE3 LYS A 477 0.745 7.083 10.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 0.439 9.259 11.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 0.005 9.341 9.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 -1.200 9.282 10.806 1.00 0.00 H new