USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=12 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 451 ASN : amide:sc= -1.25 K(o=-1.2,f=-6!) USER MOD Set 1.2: A 454 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 415 GLN : amide:sc= -0.271 K(o=-11,f=-18!) USER MOD Set 2.2: A 419 GLN : amide:sc= -10.4! C(o=-11!,f=-17!) USER MOD Single : A 395 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 402 ASN : amide:sc= -6.24! C(o=-6.2!,f=-10!) USER MOD Single : A 406 TYR OH : rot 180:sc= -0.274 USER MOD Single : A 407 HIS :FLIP no HD1:sc= -2.1 F(o=-4.7!,f=-2.1) USER MOD Single : A 410 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.55) USER MOD Single : A 420 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 422 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 426 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 429 SER OG : rot -169:sc= 0.763 USER MOD Single : A 431 LYS NZ :NH3+ -156:sc= -0.0525 (180deg=-0.379) USER MOD Single : A 443 CYS SG : rot 180:sc= -0.021 USER MOD Single : A 448 SER OG : rot 130:sc= 0.0949 USER MOD Single : A 449 TYR OH : rot -112:sc= 0.283 USER MOD Single : A 456 GLN :FLIP amide:sc= -0.337 F(o=-0.93,f=-0.34) USER MOD Single : A 460 GLN : amide:sc= -0.0329 X(o=-0.033,f=-0.02) USER MOD Single : A 461 SER OG : rot 180:sc= 0 USER MOD Single : A 462 MET CE :methyl -125:sc= -0.106 (180deg=-1.04) USER MOD Single : A 463 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 466 GLN :FLIP amide:sc= -2.44! C(o=-3!,f=-2.4!) USER MOD Single : A 469 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 470 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 GLN : amide:sc= -0.0483 K(o=-0.048,f=-0.85) USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 225 N LYS A 395 9.133 4.780 3.792 1.00 0.00 N ATOM 226 CA LYS A 395 8.977 6.210 3.554 1.00 0.00 C ATOM 227 C LYS A 395 7.534 6.549 3.197 1.00 0.00 C ATOM 228 O LYS A 395 6.746 5.666 2.860 1.00 0.00 O ATOM 229 CB LYS A 395 9.913 6.666 2.433 1.00 0.00 C ATOM 230 CG LYS A 395 9.596 6.042 1.084 1.00 0.00 C ATOM 231 CD LYS A 395 10.708 6.290 0.080 1.00 0.00 C ATOM 232 CE LYS A 395 10.783 7.757 -0.318 1.00 0.00 C ATOM 233 NZ LYS A 395 12.094 8.097 -0.936 1.00 0.00 N ATOM 0 HA LYS A 395 9.237 6.736 4.472 1.00 0.00 H new ATOM 0 HB2 LYS A 395 9.858 7.751 2.344 1.00 0.00 H new ATOM 0 HB3 LYS A 395 10.939 6.420 2.705 1.00 0.00 H new ATOM 0 HG2 LYS A 395 9.446 4.969 1.205 1.00 0.00 H new ATOM 0 HG3 LYS A 395 8.662 6.453 0.702 1.00 0.00 H new ATOM 0 HD2 LYS A 395 11.661 5.979 0.507 1.00 0.00 H new ATOM 0 HD3 LYS A 395 10.541 5.679 -0.807 1.00 0.00 H new ATOM 0 HE2 LYS A 395 9.981 7.984 -1.020 1.00 0.00 H new ATOM 0 HE3 LYS A 395 10.623 8.381 0.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 12.106 9.105 -1.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 12.858 7.904 -0.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 12.235 7.520 -1.790 1.00 0.00 H new ATOM 247 N GLU A 396 7.196 7.832 3.269 1.00 0.00 N ATOM 248 CA GLU A 396 5.847 8.285 2.951 1.00 0.00 C ATOM 249 C GLU A 396 5.880 9.420 1.931 1.00 0.00 C ATOM 250 O GLU A 396 6.949 9.868 1.519 1.00 0.00 O ATOM 251 CB GLU A 396 5.128 8.747 4.221 1.00 0.00 C ATOM 252 CG GLU A 396 5.289 7.793 5.393 1.00 0.00 C ATOM 253 CD GLU A 396 4.235 8.001 6.464 1.00 0.00 C ATOM 254 OE1 GLU A 396 3.921 9.172 6.765 1.00 0.00 O ATOM 255 OE2 GLU A 396 3.726 6.995 6.999 1.00 0.00 O ATOM 0 H GLU A 396 7.837 8.576 3.545 1.00 0.00 H new ATOM 0 HA GLU A 396 5.302 7.446 2.518 1.00 0.00 H new ATOM 0 HB2 GLU A 396 5.508 9.728 4.507 1.00 0.00 H new ATOM 0 HB3 GLU A 396 4.067 8.867 4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 396 5.236 6.766 5.031 1.00 0.00 H new ATOM 0 HG3 GLU A 396 6.278 7.926 5.831 1.00 0.00 H new ATOM 262 N GLY A 397 4.700 9.881 1.529 1.00 0.00 N ATOM 263 CA GLY A 397 4.614 10.958 0.561 1.00 0.00 C ATOM 264 C GLY A 397 4.244 12.282 1.197 1.00 0.00 C ATOM 265 O GLY A 397 4.602 12.569 2.340 1.00 0.00 O ATOM 0 H GLY A 397 3.801 9.527 1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 397 5.571 11.059 0.049 1.00 0.00 H new ATOM 0 HA3 GLY A 397 3.873 10.703 -0.197 1.00 0.00 H new ATOM 269 N PRO A 398 3.507 13.117 0.449 1.00 0.00 N ATOM 270 CA PRO A 398 3.072 14.433 0.926 1.00 0.00 C ATOM 271 C PRO A 398 1.905 14.338 1.903 1.00 0.00 C ATOM 272 O PRO A 398 1.105 13.404 1.838 1.00 0.00 O ATOM 273 CB PRO A 398 2.640 15.151 -0.355 1.00 0.00 C ATOM 274 CG PRO A 398 2.220 14.059 -1.277 1.00 0.00 C ATOM 275 CD PRO A 398 3.044 12.842 -0.922 1.00 0.00 C ATOM 0 HA PRO A 398 3.861 14.949 1.474 1.00 0.00 H new ATOM 0 HB2 PRO A 398 1.821 15.844 -0.163 1.00 0.00 H new ATOM 0 HB3 PRO A 398 3.459 15.733 -0.778 1.00 0.00 H new ATOM 0 HG2 PRO A 398 1.156 13.850 -1.168 1.00 0.00 H new ATOM 0 HG3 PRO A 398 2.384 14.346 -2.316 1.00 0.00 H new ATOM 0 HD2 PRO A 398 2.450 11.930 -0.968 1.00 0.00 H new ATOM 0 HD3 PRO A 398 3.881 12.712 -1.608 1.00 0.00 H new ATOM 283 N GLU A 399 1.813 15.310 2.805 1.00 0.00 N ATOM 284 CA GLU A 399 0.742 15.334 3.794 1.00 0.00 C ATOM 285 C GLU A 399 -0.623 15.229 3.122 1.00 0.00 C ATOM 286 O GLU A 399 -1.130 16.204 2.566 1.00 0.00 O ATOM 287 CB GLU A 399 0.816 16.615 4.628 1.00 0.00 C ATOM 288 CG GLU A 399 -0.060 16.586 5.869 1.00 0.00 C ATOM 289 CD GLU A 399 -1.522 16.346 5.547 1.00 0.00 C ATOM 290 OE1 GLU A 399 -2.069 17.078 4.694 1.00 0.00 O ATOM 291 OE2 GLU A 399 -2.119 15.428 6.145 1.00 0.00 O ATOM 0 H GLU A 399 2.466 16.090 2.871 1.00 0.00 H new ATOM 0 HA GLU A 399 0.870 14.474 4.451 1.00 0.00 H new ATOM 0 HB2 GLU A 399 1.850 16.784 4.928 1.00 0.00 H new ATOM 0 HB3 GLU A 399 0.522 17.461 4.006 1.00 0.00 H new ATOM 0 HG2 GLU A 399 0.293 15.803 6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 399 0.040 17.532 6.402 1.00 0.00 H new ATOM 298 N GLY A 400 -1.214 14.039 3.176 1.00 0.00 N ATOM 299 CA GLY A 400 -2.515 13.829 2.568 1.00 0.00 C ATOM 300 C GLY A 400 -2.587 12.531 1.787 1.00 0.00 C ATOM 301 O GLY A 400 -3.655 11.935 1.658 1.00 0.00 O ATOM 0 H GLY A 400 -0.815 13.217 3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 400 -3.279 13.825 3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 400 -2.741 14.663 1.903 1.00 0.00 H new ATOM 305 N ALA A 401 -1.447 12.094 1.264 1.00 0.00 N ATOM 306 CA ALA A 401 -1.383 10.859 0.492 1.00 0.00 C ATOM 307 C ALA A 401 -0.902 9.697 1.354 1.00 0.00 C ATOM 308 O ALA A 401 0.145 9.779 1.993 1.00 0.00 O ATOM 309 CB ALA A 401 -0.475 11.036 -0.715 1.00 0.00 C ATOM 0 H ALA A 401 -0.554 12.577 1.361 1.00 0.00 H new ATOM 0 HA ALA A 401 -2.389 10.626 0.143 1.00 0.00 H new ATOM 0 HB1 ALA A 401 -0.437 10.106 -1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 401 -0.865 11.832 -1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 401 0.529 11.298 -0.380 1.00 0.00 H new ATOM 315 N ASN A 402 -1.674 8.615 1.366 1.00 0.00 N ATOM 316 CA ASN A 402 -1.326 7.436 2.151 1.00 0.00 C ATOM 317 C ASN A 402 -2.041 6.198 1.620 1.00 0.00 C ATOM 318 O ASN A 402 -3.032 6.303 0.895 1.00 0.00 O ATOM 319 CB ASN A 402 -1.683 7.654 3.623 1.00 0.00 C ATOM 320 CG ASN A 402 -1.636 9.117 4.019 1.00 0.00 C ATOM 321 OD1 ASN A 402 -2.656 9.805 4.016 1.00 0.00 O ATOM 322 ND2 ASN A 402 -0.447 9.599 4.362 1.00 0.00 N ATOM 0 H ASN A 402 -2.544 8.530 0.841 1.00 0.00 H new ATOM 0 HA ASN A 402 -0.251 7.277 2.065 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -2.681 7.261 3.814 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -0.993 7.089 4.249 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -0.353 10.577 4.638 1.00 0.00 H new ATOM 0 HD22 ASN A 402 0.372 8.992 4.350 1.00 0.00 H new ATOM 329 N LEU A 403 -1.535 5.026 1.986 1.00 0.00 N ATOM 330 CA LEU A 403 -2.126 3.766 1.548 1.00 0.00 C ATOM 331 C LEU A 403 -1.702 2.620 2.459 1.00 0.00 C ATOM 332 O LEU A 403 -0.518 2.296 2.558 1.00 0.00 O ATOM 333 CB LEU A 403 -1.718 3.464 0.104 1.00 0.00 C ATOM 334 CG LEU A 403 -2.480 4.223 -0.982 1.00 0.00 C ATOM 335 CD1 LEU A 403 -2.080 3.725 -2.363 1.00 0.00 C ATOM 336 CD2 LEU A 403 -3.982 4.082 -0.777 1.00 0.00 C ATOM 0 H LEU A 403 -0.716 4.921 2.585 1.00 0.00 H new ATOM 0 HA LEU A 403 -3.210 3.864 1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 403 -0.656 3.683 -0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 403 -1.843 2.396 -0.072 1.00 0.00 H new ATOM 0 HG LEU A 403 -2.221 5.279 -0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 403 -2.633 4.277 -3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 403 -1.011 3.878 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 403 -2.309 2.663 -2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 403 -4.509 4.629 -1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 403 -4.258 3.028 -0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 403 -4.256 4.488 0.197 1.00 0.00 H new ATOM 348 N PHE A 404 -2.677 2.006 3.121 1.00 0.00 N ATOM 349 CA PHE A 404 -2.405 0.894 4.024 1.00 0.00 C ATOM 350 C PHE A 404 -3.256 -0.321 3.663 1.00 0.00 C ATOM 351 O PHE A 404 -4.483 -0.283 3.757 1.00 0.00 O ATOM 352 CB PHE A 404 -2.675 1.307 5.473 1.00 0.00 C ATOM 353 CG PHE A 404 -1.562 2.106 6.085 1.00 0.00 C ATOM 354 CD1 PHE A 404 -1.482 3.475 5.885 1.00 0.00 C ATOM 355 CD2 PHE A 404 -0.594 1.490 6.863 1.00 0.00 C ATOM 356 CE1 PHE A 404 -0.458 4.213 6.447 1.00 0.00 C ATOM 357 CE2 PHE A 404 0.432 2.223 7.428 1.00 0.00 C ATOM 358 CZ PHE A 404 0.500 3.587 7.220 1.00 0.00 C ATOM 0 H PHE A 404 -3.662 2.260 3.049 1.00 0.00 H new ATOM 0 HA PHE A 404 -1.354 0.624 3.920 1.00 0.00 H new ATOM 0 HB2 PHE A 404 -3.594 1.891 5.511 1.00 0.00 H new ATOM 0 HB3 PHE A 404 -2.841 0.412 6.073 1.00 0.00 H new ATOM 0 HD1 PHE A 404 -2.229 3.971 5.283 1.00 0.00 H new ATOM 0 HD2 PHE A 404 -0.642 0.424 7.030 1.00 0.00 H new ATOM 0 HE1 PHE A 404 -0.407 5.279 6.282 1.00 0.00 H new ATOM 0 HE2 PHE A 404 1.180 1.730 8.031 1.00 0.00 H new ATOM 0 HZ PHE A 404 1.301 4.162 7.661 1.00 0.00 H new ATOM 368 N ILE A 405 -2.595 -1.396 3.249 1.00 0.00 N ATOM 369 CA ILE A 405 -3.290 -2.622 2.874 1.00 0.00 C ATOM 370 C ILE A 405 -3.379 -3.586 4.053 1.00 0.00 C ATOM 371 O ILE A 405 -2.370 -3.913 4.679 1.00 0.00 O ATOM 372 CB ILE A 405 -2.588 -3.330 1.699 1.00 0.00 C ATOM 373 CG1 ILE A 405 -2.356 -2.347 0.549 1.00 0.00 C ATOM 374 CG2 ILE A 405 -3.413 -4.518 1.228 1.00 0.00 C ATOM 375 CD1 ILE A 405 -1.379 -1.242 0.887 1.00 0.00 C ATOM 0 H ILE A 405 -1.580 -1.444 3.165 1.00 0.00 H new ATOM 0 HA ILE A 405 -4.295 -2.334 2.566 1.00 0.00 H new ATOM 0 HB ILE A 405 -1.620 -3.697 2.040 1.00 0.00 H new ATOM 0 HG12 ILE A 405 -1.987 -2.895 -0.318 1.00 0.00 H new ATOM 0 HG13 ILE A 405 -3.310 -1.903 0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 405 -2.904 -5.008 0.398 1.00 0.00 H new ATOM 0 HG22 ILE A 405 -3.533 -5.226 2.048 1.00 0.00 H new ATOM 0 HG23 ILE A 405 -4.394 -4.173 0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 405 -1.263 -0.583 0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 405 -1.756 -0.669 1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 405 -0.413 -1.677 1.144 1.00 0.00 H new ATOM 387 N TYR A 406 -4.592 -4.037 4.349 1.00 0.00 N ATOM 388 CA TYR A 406 -4.814 -4.964 5.452 1.00 0.00 C ATOM 389 C TYR A 406 -5.432 -6.267 4.954 1.00 0.00 C ATOM 390 O TYR A 406 -6.136 -6.288 3.943 1.00 0.00 O ATOM 391 CB TYR A 406 -5.722 -4.326 6.506 1.00 0.00 C ATOM 392 CG TYR A 406 -5.297 -2.932 6.909 1.00 0.00 C ATOM 393 CD1 TYR A 406 -4.230 -2.734 7.777 1.00 0.00 C ATOM 394 CD2 TYR A 406 -5.961 -1.814 6.422 1.00 0.00 C ATOM 395 CE1 TYR A 406 -3.838 -1.463 8.148 1.00 0.00 C ATOM 396 CE2 TYR A 406 -5.576 -0.539 6.786 1.00 0.00 C ATOM 397 CZ TYR A 406 -4.513 -0.368 7.650 1.00 0.00 C ATOM 398 OH TYR A 406 -4.127 0.901 8.016 1.00 0.00 O ATOM 0 H TYR A 406 -5.437 -3.776 3.841 1.00 0.00 H new ATOM 0 HA TYR A 406 -3.848 -5.191 5.902 1.00 0.00 H new ATOM 0 HB2 TYR A 406 -6.741 -4.289 6.121 1.00 0.00 H new ATOM 0 HB3 TYR A 406 -5.739 -4.962 7.391 1.00 0.00 H new ATOM 0 HD1 TYR A 406 -3.698 -3.589 8.168 1.00 0.00 H new ATOM 0 HD2 TYR A 406 -6.793 -1.944 5.746 1.00 0.00 H new ATOM 0 HE1 TYR A 406 -3.007 -1.327 8.825 1.00 0.00 H new ATOM 0 HE2 TYR A 406 -6.103 0.319 6.397 1.00 0.00 H new ATOM 0 HH TYR A 406 -4.705 1.559 7.576 1.00 0.00 H new ATOM 408 N HIS A 407 -5.165 -7.354 5.672 1.00 0.00 N ATOM 409 CA HIS A 407 -5.694 -8.662 5.305 1.00 0.00 C ATOM 410 C HIS A 407 -4.970 -9.218 4.083 1.00 0.00 C ATOM 411 O HIS A 407 -5.597 -9.575 3.085 1.00 0.00 O ATOM 412 CB HIS A 407 -7.195 -8.567 5.023 1.00 0.00 C ATOM 413 CG HIS A 407 -7.926 -7.666 5.970 1.00 0.00 C ATOM 414 ND1 HIS A 407 -8.200 -6.344 5.899 1.00 0.00 N flip ATOM 415 CD2 HIS A 407 -8.471 -8.106 7.158 1.00 0.00 C flip ATOM 416 CE1 HIS A 407 -8.899 -6.011 7.033 1.00 0.00 C flip ATOM 417 NE2 HIS A 407 -9.050 -7.092 7.776 1.00 0.00 N flip ATOM 0 H HIS A 407 -4.585 -7.354 6.511 1.00 0.00 H new ATOM 0 HA HIS A 407 -5.530 -9.341 6.142 1.00 0.00 H new ATOM 0 HB2 HIS A 407 -7.343 -8.207 4.005 1.00 0.00 H new ATOM 0 HB3 HIS A 407 -7.630 -9.565 5.075 1.00 0.00 H new ATOM 0 HD2 HIS A 407 -8.431 -9.121 7.526 1.00 0.00 H new ATOM 0 HE1 HIS A 407 -9.266 -5.025 7.277 1.00 0.00 H new ATOM 0 HE2 HIS A 407 -9.532 -7.137 8.674 1.00 0.00 H new ATOM 425 N LEU A 408 -3.646 -9.288 4.168 1.00 0.00 N ATOM 426 CA LEU A 408 -2.835 -9.801 3.069 1.00 0.00 C ATOM 427 C LEU A 408 -2.397 -11.236 3.338 1.00 0.00 C ATOM 428 O LEU A 408 -1.975 -11.586 4.441 1.00 0.00 O ATOM 429 CB LEU A 408 -1.608 -8.912 2.857 1.00 0.00 C ATOM 430 CG LEU A 408 -1.854 -7.588 2.134 1.00 0.00 C ATOM 431 CD1 LEU A 408 -0.721 -6.611 2.409 1.00 0.00 C ATOM 432 CD2 LEU A 408 -2.012 -7.818 0.639 1.00 0.00 C ATOM 0 H LEU A 408 -3.111 -8.996 4.986 1.00 0.00 H new ATOM 0 HA LEU A 408 -3.444 -9.791 2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -1.169 -8.695 3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -0.867 -9.479 2.293 1.00 0.00 H new ATOM 0 HG LEU A 408 -2.779 -7.155 2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -0.913 -5.674 1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -0.656 -6.422 3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 408 0.219 -7.036 2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -2.186 -6.864 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -1.104 -8.274 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 408 -2.859 -8.481 0.460 1.00 0.00 H new ATOM 444 N PRO A 409 -2.496 -12.089 2.308 1.00 0.00 N ATOM 445 CA PRO A 409 -2.112 -13.501 2.408 1.00 0.00 C ATOM 446 C PRO A 409 -0.747 -13.685 3.060 1.00 0.00 C ATOM 447 O PRO A 409 -0.101 -12.714 3.454 1.00 0.00 O ATOM 448 CB PRO A 409 -2.075 -13.963 0.949 1.00 0.00 C ATOM 449 CG PRO A 409 -3.036 -13.069 0.244 1.00 0.00 C ATOM 450 CD PRO A 409 -2.991 -11.741 0.965 1.00 0.00 C ATOM 0 HA PRO A 409 -2.803 -14.068 3.031 1.00 0.00 H new ATOM 0 HB2 PRO A 409 -1.072 -13.874 0.531 1.00 0.00 H new ATOM 0 HB3 PRO A 409 -2.367 -15.009 0.857 1.00 0.00 H new ATOM 0 HG2 PRO A 409 -2.760 -12.952 -0.804 1.00 0.00 H new ATOM 0 HG3 PRO A 409 -4.042 -13.488 0.264 1.00 0.00 H new ATOM 0 HD2 PRO A 409 -2.328 -11.036 0.464 1.00 0.00 H new ATOM 0 HD3 PRO A 409 -3.976 -11.276 1.009 1.00 0.00 H new ATOM 458 N GLN A 410 -0.313 -14.936 3.172 1.00 0.00 N ATOM 459 CA GLN A 410 0.977 -15.246 3.777 1.00 0.00 C ATOM 460 C GLN A 410 2.074 -15.306 2.720 1.00 0.00 C ATOM 461 O GLN A 410 3.197 -14.860 2.952 1.00 0.00 O ATOM 462 CB GLN A 410 0.904 -16.577 4.530 1.00 0.00 C ATOM 463 CG GLN A 410 1.915 -16.693 5.659 1.00 0.00 C ATOM 464 CD GLN A 410 1.697 -15.659 6.746 1.00 0.00 C ATOM 465 OE1 GLN A 410 0.560 -15.356 7.111 1.00 0.00 O ATOM 466 NE2 GLN A 410 2.787 -15.111 7.269 1.00 0.00 N ATOM 0 H GLN A 410 -0.836 -15.751 2.852 1.00 0.00 H new ATOM 0 HA GLN A 410 1.220 -14.450 4.481 1.00 0.00 H new ATOM 0 HB2 GLN A 410 -0.099 -16.700 4.938 1.00 0.00 H new ATOM 0 HB3 GLN A 410 1.064 -17.393 3.825 1.00 0.00 H new ATOM 0 HG2 GLN A 410 1.855 -17.690 6.094 1.00 0.00 H new ATOM 0 HG3 GLN A 410 2.921 -16.582 5.254 1.00 0.00 H new ATOM 0 HE21 GLN A 410 3.709 -15.392 6.936 1.00 0.00 H new ATOM 0 HE22 GLN A 410 2.702 -14.409 8.004 1.00 0.00 H new ATOM 475 N GLU A 411 1.742 -15.861 1.558 1.00 0.00 N ATOM 476 CA GLU A 411 2.700 -15.980 0.466 1.00 0.00 C ATOM 477 C GLU A 411 3.109 -14.604 -0.051 1.00 0.00 C ATOM 478 O GLU A 411 4.078 -14.472 -0.798 1.00 0.00 O ATOM 479 CB GLU A 411 2.107 -16.809 -0.674 1.00 0.00 C ATOM 480 CG GLU A 411 0.989 -16.104 -1.423 1.00 0.00 C ATOM 481 CD GLU A 411 -0.371 -16.341 -0.799 1.00 0.00 C ATOM 482 OE1 GLU A 411 -0.422 -16.892 0.320 1.00 0.00 O ATOM 483 OE2 GLU A 411 -1.386 -15.975 -1.429 1.00 0.00 O ATOM 0 H GLU A 411 0.816 -16.235 1.349 1.00 0.00 H new ATOM 0 HA GLU A 411 3.587 -16.484 0.849 1.00 0.00 H new ATOM 0 HB2 GLU A 411 2.900 -17.063 -1.377 1.00 0.00 H new ATOM 0 HB3 GLU A 411 1.727 -17.747 -0.270 1.00 0.00 H new ATOM 0 HG2 GLU A 411 1.192 -15.033 -1.447 1.00 0.00 H new ATOM 0 HG3 GLU A 411 0.975 -16.449 -2.457 1.00 0.00 H new ATOM 490 N PHE A 412 2.362 -13.580 0.353 1.00 0.00 N ATOM 491 CA PHE A 412 2.645 -12.214 -0.070 1.00 0.00 C ATOM 492 C PHE A 412 3.776 -11.611 0.758 1.00 0.00 C ATOM 493 O PHE A 412 3.807 -11.749 1.981 1.00 0.00 O ATOM 494 CB PHE A 412 1.389 -11.348 0.054 1.00 0.00 C ATOM 495 CG PHE A 412 0.545 -11.336 -1.188 1.00 0.00 C ATOM 496 CD1 PHE A 412 -0.083 -12.491 -1.627 1.00 0.00 C ATOM 497 CD2 PHE A 412 0.379 -10.168 -1.917 1.00 0.00 C ATOM 498 CE1 PHE A 412 -0.861 -12.482 -2.769 1.00 0.00 C ATOM 499 CE2 PHE A 412 -0.399 -10.154 -3.058 1.00 0.00 C ATOM 500 CZ PHE A 412 -1.017 -11.313 -3.487 1.00 0.00 C ATOM 0 H PHE A 412 1.557 -13.671 0.972 1.00 0.00 H new ATOM 0 HA PHE A 412 2.957 -12.241 -1.114 1.00 0.00 H new ATOM 0 HB2 PHE A 412 0.788 -11.710 0.888 1.00 0.00 H new ATOM 0 HB3 PHE A 412 1.684 -10.326 0.293 1.00 0.00 H new ATOM 0 HD1 PHE A 412 0.037 -13.409 -1.070 1.00 0.00 H new ATOM 0 HD2 PHE A 412 0.863 -9.260 -1.589 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -1.346 -13.388 -3.100 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -0.524 -9.237 -3.615 1.00 0.00 H new ATOM 0 HZ PHE A 412 -1.621 -11.305 -4.382 1.00 0.00 H new ATOM 510 N GLY A 413 4.705 -10.941 0.083 1.00 0.00 N ATOM 511 CA GLY A 413 5.826 -10.328 0.772 1.00 0.00 C ATOM 512 C GLY A 413 5.831 -8.818 0.640 1.00 0.00 C ATOM 513 O GLY A 413 4.778 -8.198 0.490 1.00 0.00 O ATOM 0 H GLY A 413 4.701 -10.812 -0.929 1.00 0.00 H new ATOM 0 HA2 GLY A 413 5.791 -10.597 1.828 1.00 0.00 H new ATOM 0 HA3 GLY A 413 6.758 -10.728 0.372 1.00 0.00 H new ATOM 517 N ASP A 414 7.018 -8.225 0.699 1.00 0.00 N ATOM 518 CA ASP A 414 7.155 -6.777 0.586 1.00 0.00 C ATOM 519 C ASP A 414 7.070 -6.335 -0.872 1.00 0.00 C ATOM 520 O ASP A 414 6.231 -5.510 -1.231 1.00 0.00 O ATOM 521 CB ASP A 414 8.483 -6.321 1.193 1.00 0.00 C ATOM 522 CG ASP A 414 8.799 -7.033 2.494 1.00 0.00 C ATOM 523 OD1 ASP A 414 9.267 -8.189 2.438 1.00 0.00 O ATOM 524 OD2 ASP A 414 8.578 -6.433 3.567 1.00 0.00 O ATOM 0 H ASP A 414 7.899 -8.724 0.824 1.00 0.00 H new ATOM 0 HA ASP A 414 6.335 -6.315 1.135 1.00 0.00 H new ATOM 0 HB2 ASP A 414 9.287 -6.501 0.479 1.00 0.00 H new ATOM 0 HB3 ASP A 414 8.449 -5.246 1.369 1.00 0.00 H new ATOM 529 N GLN A 415 7.943 -6.891 -1.706 1.00 0.00 N ATOM 530 CA GLN A 415 7.967 -6.552 -3.124 1.00 0.00 C ATOM 531 C GLN A 415 6.611 -6.812 -3.768 1.00 0.00 C ATOM 532 O GLN A 415 6.013 -5.917 -4.365 1.00 0.00 O ATOM 533 CB GLN A 415 9.051 -7.356 -3.843 1.00 0.00 C ATOM 534 CG GLN A 415 10.437 -6.738 -3.741 1.00 0.00 C ATOM 535 CD GLN A 415 10.637 -5.592 -4.712 1.00 0.00 C ATOM 536 OE1 GLN A 415 9.811 -4.682 -4.796 1.00 0.00 O ATOM 537 NE2 GLN A 415 11.739 -5.630 -5.454 1.00 0.00 N ATOM 0 H GLN A 415 8.643 -7.578 -1.424 1.00 0.00 H new ATOM 0 HA GLN A 415 8.193 -5.490 -3.215 1.00 0.00 H new ATOM 0 HB2 GLN A 415 9.080 -8.363 -3.427 1.00 0.00 H new ATOM 0 HB3 GLN A 415 8.782 -7.453 -4.895 1.00 0.00 H new ATOM 0 HG2 GLN A 415 10.597 -6.380 -2.724 1.00 0.00 H new ATOM 0 HG3 GLN A 415 11.188 -7.505 -3.931 1.00 0.00 H new ATOM 0 HE21 GLN A 415 12.396 -6.403 -5.352 1.00 0.00 H new ATOM 0 HE22 GLN A 415 11.927 -4.886 -6.126 1.00 0.00 H new ATOM 546 N ASP A 416 6.130 -8.045 -3.645 1.00 0.00 N ATOM 547 CA ASP A 416 4.843 -8.425 -4.215 1.00 0.00 C ATOM 548 C ASP A 416 3.857 -7.262 -4.153 1.00 0.00 C ATOM 549 O ASP A 416 3.346 -6.812 -5.180 1.00 0.00 O ATOM 550 CB ASP A 416 4.271 -9.635 -3.476 1.00 0.00 C ATOM 551 CG ASP A 416 5.082 -10.894 -3.713 1.00 0.00 C ATOM 552 OD1 ASP A 416 5.292 -11.251 -4.891 1.00 0.00 O ATOM 553 OD2 ASP A 416 5.504 -11.523 -2.721 1.00 0.00 O ATOM 0 H ASP A 416 6.613 -8.798 -3.155 1.00 0.00 H new ATOM 0 HA ASP A 416 5.000 -8.689 -5.261 1.00 0.00 H new ATOM 0 HB2 ASP A 416 4.239 -9.423 -2.407 1.00 0.00 H new ATOM 0 HB3 ASP A 416 3.243 -9.802 -3.799 1.00 0.00 H new ATOM 558 N LEU A 417 3.592 -6.782 -2.943 1.00 0.00 N ATOM 559 CA LEU A 417 2.666 -5.672 -2.746 1.00 0.00 C ATOM 560 C LEU A 417 2.951 -4.544 -3.732 1.00 0.00 C ATOM 561 O LEU A 417 2.042 -4.038 -4.393 1.00 0.00 O ATOM 562 CB LEU A 417 2.766 -5.149 -1.312 1.00 0.00 C ATOM 563 CG LEU A 417 1.756 -4.068 -0.921 1.00 0.00 C ATOM 564 CD1 LEU A 417 0.345 -4.638 -0.902 1.00 0.00 C ATOM 565 CD2 LEU A 417 2.111 -3.471 0.433 1.00 0.00 C ATOM 0 H LEU A 417 4.005 -7.144 -2.084 1.00 0.00 H new ATOM 0 HA LEU A 417 1.655 -6.038 -2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 417 2.649 -5.991 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 417 3.770 -4.753 -1.160 1.00 0.00 H new ATOM 0 HG LEU A 417 1.795 -3.274 -1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 417 -0.360 -3.855 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 417 0.092 -5.017 -1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 417 0.291 -5.451 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 417 1.382 -2.704 0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 417 2.101 -4.255 1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 417 3.105 -3.026 0.385 1.00 0.00 H new ATOM 577 N LEU A 418 4.217 -4.154 -3.829 1.00 0.00 N ATOM 578 CA LEU A 418 4.622 -3.087 -4.737 1.00 0.00 C ATOM 579 C LEU A 418 4.181 -3.391 -6.166 1.00 0.00 C ATOM 580 O LEU A 418 3.492 -2.590 -6.795 1.00 0.00 O ATOM 581 CB LEU A 418 6.140 -2.898 -4.688 1.00 0.00 C ATOM 582 CG LEU A 418 6.715 -1.846 -5.637 1.00 0.00 C ATOM 583 CD1 LEU A 418 6.066 -0.493 -5.390 1.00 0.00 C ATOM 584 CD2 LEU A 418 8.226 -1.751 -5.475 1.00 0.00 C ATOM 0 H LEU A 418 4.981 -4.561 -3.290 1.00 0.00 H new ATOM 0 HA LEU A 418 4.137 -2.166 -4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 418 6.420 -2.631 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 418 6.613 -3.855 -4.909 1.00 0.00 H new ATOM 0 HG LEU A 418 6.497 -2.150 -6.661 1.00 0.00 H new ATOM 0 HD11 LEU A 418 6.488 0.243 -6.074 1.00 0.00 H new ATOM 0 HD12 LEU A 418 4.991 -0.569 -5.556 1.00 0.00 H new ATOM 0 HD13 LEU A 418 6.253 -0.182 -4.362 1.00 0.00 H new ATOM 0 HD21 LEU A 418 8.618 -0.998 -6.158 1.00 0.00 H new ATOM 0 HD22 LEU A 418 8.465 -1.471 -4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 418 8.678 -2.717 -5.702 1.00 0.00 H new ATOM 596 N GLN A 419 4.585 -4.553 -6.669 1.00 0.00 N ATOM 597 CA GLN A 419 4.230 -4.963 -8.022 1.00 0.00 C ATOM 598 C GLN A 419 2.716 -5.061 -8.182 1.00 0.00 C ATOM 599 O GLN A 419 2.199 -5.075 -9.299 1.00 0.00 O ATOM 600 CB GLN A 419 4.878 -6.308 -8.358 1.00 0.00 C ATOM 601 CG GLN A 419 6.396 -6.286 -8.283 1.00 0.00 C ATOM 602 CD GLN A 419 6.913 -6.440 -6.866 1.00 0.00 C ATOM 603 OE1 GLN A 419 6.798 -7.508 -6.263 1.00 0.00 O ATOM 604 NE2 GLN A 419 7.485 -5.371 -6.326 1.00 0.00 N ATOM 0 H GLN A 419 5.158 -5.226 -6.160 1.00 0.00 H new ATOM 0 HA GLN A 419 4.602 -4.206 -8.712 1.00 0.00 H new ATOM 0 HB2 GLN A 419 4.499 -7.066 -7.672 1.00 0.00 H new ATOM 0 HB3 GLN A 419 4.576 -6.607 -9.362 1.00 0.00 H new ATOM 0 HG2 GLN A 419 6.798 -7.088 -8.902 1.00 0.00 H new ATOM 0 HG3 GLN A 419 6.763 -5.348 -8.700 1.00 0.00 H new ATOM 0 HE21 GLN A 419 7.559 -4.506 -6.862 1.00 0.00 H new ATOM 0 HE22 GLN A 419 7.851 -5.414 -5.375 1.00 0.00 H new ATOM 613 N MET A 420 2.010 -5.130 -7.057 1.00 0.00 N ATOM 614 CA MET A 420 0.555 -5.226 -7.074 1.00 0.00 C ATOM 615 C MET A 420 -0.081 -3.841 -7.138 1.00 0.00 C ATOM 616 O MET A 420 -1.197 -3.682 -7.631 1.00 0.00 O ATOM 617 CB MET A 420 0.058 -5.971 -5.833 1.00 0.00 C ATOM 618 CG MET A 420 -1.436 -5.825 -5.594 1.00 0.00 C ATOM 619 SD MET A 420 -1.937 -6.401 -3.961 1.00 0.00 S ATOM 620 CE MET A 420 -2.967 -7.800 -4.396 1.00 0.00 C ATOM 0 H MET A 420 2.422 -5.121 -6.124 1.00 0.00 H new ATOM 0 HA MET A 420 0.263 -5.782 -7.965 1.00 0.00 H new ATOM 0 HB2 MET A 420 0.300 -7.029 -5.933 1.00 0.00 H new ATOM 0 HB3 MET A 420 0.595 -5.603 -4.959 1.00 0.00 H new ATOM 0 HG2 MET A 420 -1.718 -4.778 -5.708 1.00 0.00 H new ATOM 0 HG3 MET A 420 -1.978 -6.386 -6.355 1.00 0.00 H new ATOM 0 HE1 MET A 420 -3.353 -8.264 -3.488 1.00 0.00 H new ATOM 0 HE2 MET A 420 -3.799 -7.461 -5.013 1.00 0.00 H new ATOM 0 HE3 MET A 420 -2.376 -8.528 -4.952 1.00 0.00 H new ATOM 630 N PHE A 421 0.637 -2.842 -6.635 1.00 0.00 N ATOM 631 CA PHE A 421 0.142 -1.470 -6.634 1.00 0.00 C ATOM 632 C PHE A 421 0.859 -0.632 -7.688 1.00 0.00 C ATOM 633 O PHE A 421 0.462 0.497 -7.974 1.00 0.00 O ATOM 634 CB PHE A 421 0.328 -0.839 -5.252 1.00 0.00 C ATOM 635 CG PHE A 421 -0.717 -1.257 -4.257 1.00 0.00 C ATOM 636 CD1 PHE A 421 -0.855 -2.587 -3.895 1.00 0.00 C ATOM 637 CD2 PHE A 421 -1.562 -0.320 -3.685 1.00 0.00 C ATOM 638 CE1 PHE A 421 -1.815 -2.975 -2.979 1.00 0.00 C ATOM 639 CE2 PHE A 421 -2.523 -0.702 -2.768 1.00 0.00 C ATOM 640 CZ PHE A 421 -2.651 -2.031 -2.416 1.00 0.00 C ATOM 0 H PHE A 421 1.563 -2.957 -6.223 1.00 0.00 H new ATOM 0 HA PHE A 421 -0.921 -1.494 -6.875 1.00 0.00 H new ATOM 0 HB2 PHE A 421 1.312 -1.108 -4.868 1.00 0.00 H new ATOM 0 HB3 PHE A 421 0.310 0.246 -5.351 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -0.205 -3.330 -4.334 1.00 0.00 H new ATOM 0 HD2 PHE A 421 -1.469 0.721 -3.959 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -1.911 -4.015 -2.704 1.00 0.00 H new ATOM 0 HE2 PHE A 421 -3.174 0.039 -2.327 1.00 0.00 H new ATOM 0 HZ PHE A 421 -3.403 -2.332 -1.702 1.00 0.00 H new ATOM 650 N MET A 422 1.918 -1.194 -8.262 1.00 0.00 N ATOM 651 CA MET A 422 2.690 -0.500 -9.286 1.00 0.00 C ATOM 652 C MET A 422 1.814 -0.150 -10.485 1.00 0.00 C ATOM 653 O MET A 422 1.851 0.964 -11.007 1.00 0.00 O ATOM 654 CB MET A 422 3.872 -1.361 -9.736 1.00 0.00 C ATOM 655 CG MET A 422 5.153 -1.086 -8.966 1.00 0.00 C ATOM 656 SD MET A 422 6.514 -2.151 -9.479 1.00 0.00 S ATOM 657 CE MET A 422 7.880 -0.994 -9.449 1.00 0.00 C ATOM 0 H MET A 422 2.261 -2.128 -8.035 1.00 0.00 H new ATOM 0 HA MET A 422 3.069 0.426 -8.854 1.00 0.00 H new ATOM 0 HB2 MET A 422 3.609 -2.413 -9.623 1.00 0.00 H new ATOM 0 HB3 MET A 422 4.052 -1.190 -10.797 1.00 0.00 H new ATOM 0 HG2 MET A 422 5.440 -0.044 -9.106 1.00 0.00 H new ATOM 0 HG3 MET A 422 4.969 -1.226 -7.901 1.00 0.00 H new ATOM 0 HE1 MET A 422 8.796 -1.505 -9.744 1.00 0.00 H new ATOM 0 HE2 MET A 422 7.680 -0.177 -10.143 1.00 0.00 H new ATOM 0 HE3 MET A 422 7.996 -0.594 -8.442 1.00 0.00 H new ATOM 667 N PRO A 423 1.008 -1.124 -10.933 1.00 0.00 N ATOM 668 CA PRO A 423 0.108 -0.942 -12.075 1.00 0.00 C ATOM 669 C PRO A 423 -0.702 0.347 -11.976 1.00 0.00 C ATOM 670 O PRO A 423 -0.940 1.021 -12.979 1.00 0.00 O ATOM 671 CB PRO A 423 -0.815 -2.160 -11.996 1.00 0.00 C ATOM 672 CG PRO A 423 -0.014 -3.197 -11.289 1.00 0.00 C ATOM 673 CD PRO A 423 0.913 -2.476 -10.359 1.00 0.00 C ATOM 0 HA PRO A 423 0.654 -0.863 -13.015 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -1.731 -1.928 -11.452 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -1.111 -2.497 -12.989 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -0.664 -3.876 -10.736 1.00 0.00 H new ATOM 0 HG3 PRO A 423 0.548 -3.802 -12.001 1.00 0.00 H new ATOM 0 HD2 PRO A 423 0.520 -2.452 -9.342 1.00 0.00 H new ATOM 0 HD3 PRO A 423 1.889 -2.960 -10.312 1.00 0.00 H new ATOM 681 N PHE A 424 -1.122 0.684 -10.761 1.00 0.00 N ATOM 682 CA PHE A 424 -1.905 1.893 -10.532 1.00 0.00 C ATOM 683 C PHE A 424 -1.068 3.142 -10.792 1.00 0.00 C ATOM 684 O PHE A 424 -1.574 4.153 -11.275 1.00 0.00 O ATOM 685 CB PHE A 424 -2.442 1.914 -9.099 1.00 0.00 C ATOM 686 CG PHE A 424 -3.509 0.889 -8.844 1.00 0.00 C ATOM 687 CD1 PHE A 424 -3.175 -0.398 -8.454 1.00 0.00 C ATOM 688 CD2 PHE A 424 -4.849 1.212 -8.994 1.00 0.00 C ATOM 689 CE1 PHE A 424 -4.155 -1.343 -8.220 1.00 0.00 C ATOM 690 CE2 PHE A 424 -5.833 0.271 -8.760 1.00 0.00 C ATOM 691 CZ PHE A 424 -5.486 -1.008 -8.372 1.00 0.00 C ATOM 0 H PHE A 424 -0.934 0.138 -9.921 1.00 0.00 H new ATOM 0 HA PHE A 424 -2.744 1.889 -11.228 1.00 0.00 H new ATOM 0 HB2 PHE A 424 -1.616 1.747 -8.408 1.00 0.00 H new ATOM 0 HB3 PHE A 424 -2.842 2.905 -8.884 1.00 0.00 H new ATOM 0 HD1 PHE A 424 -2.136 -0.666 -8.331 1.00 0.00 H new ATOM 0 HD2 PHE A 424 -5.127 2.211 -9.297 1.00 0.00 H new ATOM 0 HE1 PHE A 424 -3.880 -2.343 -7.918 1.00 0.00 H new ATOM 0 HE2 PHE A 424 -6.873 0.536 -8.880 1.00 0.00 H new ATOM 0 HZ PHE A 424 -6.254 -1.745 -8.188 1.00 0.00 H new ATOM 701 N GLY A 425 0.219 3.062 -10.465 1.00 0.00 N ATOM 702 CA GLY A 425 1.106 4.192 -10.669 1.00 0.00 C ATOM 703 C GLY A 425 2.475 3.974 -10.052 1.00 0.00 C ATOM 704 O GLY A 425 2.894 2.836 -9.842 1.00 0.00 O ATOM 0 H GLY A 425 0.662 2.236 -10.063 1.00 0.00 H new ATOM 0 HA2 GLY A 425 1.217 4.374 -11.738 1.00 0.00 H new ATOM 0 HA3 GLY A 425 0.655 5.086 -10.239 1.00 0.00 H new ATOM 708 N ASN A 426 3.172 5.067 -9.762 1.00 0.00 N ATOM 709 CA ASN A 426 4.502 4.989 -9.168 1.00 0.00 C ATOM 710 C ASN A 426 4.421 5.034 -7.644 1.00 0.00 C ATOM 711 O ASN A 426 4.410 6.109 -7.044 1.00 0.00 O ATOM 712 CB ASN A 426 5.379 6.135 -9.677 1.00 0.00 C ATOM 713 CG ASN A 426 5.970 5.847 -11.044 1.00 0.00 C ATOM 714 OD1 ASN A 426 6.866 5.014 -11.182 1.00 0.00 O ATOM 715 ND2 ASN A 426 5.470 6.538 -12.062 1.00 0.00 N ATOM 0 H ASN A 426 2.839 6.017 -9.928 1.00 0.00 H new ATOM 0 HA ASN A 426 4.949 4.040 -9.463 1.00 0.00 H new ATOM 0 HB2 ASN A 426 4.786 7.049 -9.725 1.00 0.00 H new ATOM 0 HB3 ASN A 426 6.185 6.315 -8.966 1.00 0.00 H new ATOM 0 HD21 ASN A 426 5.828 6.388 -13.005 1.00 0.00 H new ATOM 0 HD22 ASN A 426 4.728 7.219 -11.901 1.00 0.00 H new ATOM 722 N VAL A 427 4.364 3.859 -7.026 1.00 0.00 N ATOM 723 CA VAL A 427 4.285 3.763 -5.573 1.00 0.00 C ATOM 724 C VAL A 427 5.560 4.285 -4.918 1.00 0.00 C ATOM 725 O VAL A 427 6.643 3.732 -5.115 1.00 0.00 O ATOM 726 CB VAL A 427 4.044 2.312 -5.118 1.00 0.00 C ATOM 727 CG1 VAL A 427 4.207 2.190 -3.611 1.00 0.00 C ATOM 728 CG2 VAL A 427 2.665 1.841 -5.553 1.00 0.00 C ATOM 0 H VAL A 427 4.371 2.960 -7.508 1.00 0.00 H new ATOM 0 HA VAL A 427 3.441 4.378 -5.261 1.00 0.00 H new ATOM 0 HB VAL A 427 4.789 1.672 -5.592 1.00 0.00 H new ATOM 0 HG11 VAL A 427 4.033 1.157 -3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 427 5.218 2.485 -3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 427 3.487 2.840 -3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 427 2.511 0.814 -5.223 1.00 0.00 H new ATOM 0 HG22 VAL A 427 1.904 2.483 -5.108 1.00 0.00 H new ATOM 0 HG23 VAL A 427 2.590 1.889 -6.639 1.00 0.00 H new ATOM 738 N VAL A 428 5.424 5.352 -4.137 1.00 0.00 N ATOM 739 CA VAL A 428 6.565 5.947 -3.452 1.00 0.00 C ATOM 740 C VAL A 428 7.156 4.983 -2.430 1.00 0.00 C ATOM 741 O VAL A 428 8.375 4.843 -2.325 1.00 0.00 O ATOM 742 CB VAL A 428 6.171 7.255 -2.739 1.00 0.00 C ATOM 743 CG1 VAL A 428 7.314 7.754 -1.869 1.00 0.00 C ATOM 744 CG2 VAL A 428 5.762 8.312 -3.754 1.00 0.00 C ATOM 0 H VAL A 428 4.535 5.822 -3.963 1.00 0.00 H new ATOM 0 HA VAL A 428 7.312 6.167 -4.214 1.00 0.00 H new ATOM 0 HB VAL A 428 5.316 7.054 -2.093 1.00 0.00 H new ATOM 0 HG11 VAL A 428 7.017 8.678 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 428 7.555 7.001 -1.118 1.00 0.00 H new ATOM 0 HG13 VAL A 428 8.190 7.940 -2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 428 5.487 9.229 -3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 428 6.596 8.513 -4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 428 4.910 7.952 -4.330 1.00 0.00 H new ATOM 754 N SER A 429 6.285 4.318 -1.677 1.00 0.00 N ATOM 755 CA SER A 429 6.721 3.369 -0.660 1.00 0.00 C ATOM 756 C SER A 429 5.860 2.109 -0.689 1.00 0.00 C ATOM 757 O SER A 429 4.668 2.165 -0.988 1.00 0.00 O ATOM 758 CB SER A 429 6.659 4.010 0.727 1.00 0.00 C ATOM 759 OG SER A 429 5.321 4.294 1.099 1.00 0.00 O ATOM 0 H SER A 429 5.273 4.419 -1.753 1.00 0.00 H new ATOM 0 HA SER A 429 7.752 3.090 -0.877 1.00 0.00 H new ATOM 0 HB2 SER A 429 7.109 3.341 1.460 1.00 0.00 H new ATOM 0 HB3 SER A 429 7.244 4.930 0.732 1.00 0.00 H new ATOM 0 HG SER A 429 5.317 4.855 1.903 1.00 0.00 H new ATOM 765 N ALA A 430 6.476 0.973 -0.376 1.00 0.00 N ATOM 766 CA ALA A 430 5.767 -0.301 -0.364 1.00 0.00 C ATOM 767 C ALA A 430 6.529 -1.345 0.445 1.00 0.00 C ATOM 768 O ALA A 430 7.593 -1.809 0.035 1.00 0.00 O ATOM 769 CB ALA A 430 5.543 -0.793 -1.786 1.00 0.00 C ATOM 0 H ALA A 430 7.463 0.909 -0.128 1.00 0.00 H new ATOM 0 HA ALA A 430 4.799 -0.146 0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 430 5.013 -1.745 -1.762 1.00 0.00 H new ATOM 0 HB2 ALA A 430 4.951 -0.061 -2.335 1.00 0.00 H new ATOM 0 HB3 ALA A 430 6.505 -0.926 -2.281 1.00 0.00 H new ATOM 775 N LYS A 431 5.978 -1.710 1.597 1.00 0.00 N ATOM 776 CA LYS A 431 6.604 -2.700 2.466 1.00 0.00 C ATOM 777 C LYS A 431 5.574 -3.343 3.390 1.00 0.00 C ATOM 778 O LYS A 431 4.637 -2.686 3.844 1.00 0.00 O ATOM 779 CB LYS A 431 7.715 -2.052 3.295 1.00 0.00 C ATOM 780 CG LYS A 431 8.179 -2.904 4.464 1.00 0.00 C ATOM 781 CD LYS A 431 7.328 -2.664 5.700 1.00 0.00 C ATOM 782 CE LYS A 431 7.906 -1.557 6.568 1.00 0.00 C ATOM 783 NZ LYS A 431 9.197 -1.958 7.191 1.00 0.00 N ATOM 0 H LYS A 431 5.098 -1.335 1.951 1.00 0.00 H new ATOM 0 HA LYS A 431 7.036 -3.478 1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 431 8.567 -1.845 2.647 1.00 0.00 H new ATOM 0 HB3 LYS A 431 7.362 -1.093 3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 431 8.133 -3.958 4.188 1.00 0.00 H new ATOM 0 HG3 LYS A 431 9.221 -2.678 4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 431 6.314 -2.400 5.399 1.00 0.00 H new ATOM 0 HD3 LYS A 431 7.259 -3.584 6.280 1.00 0.00 H new ATOM 0 HE2 LYS A 431 8.057 -0.663 5.963 1.00 0.00 H new ATOM 0 HE3 LYS A 431 7.191 -1.297 7.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 9.356 -1.397 8.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 9.165 -2.968 7.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 9.973 -1.790 6.520 1.00 0.00 H new ATOM 797 N VAL A 432 5.754 -4.631 3.665 1.00 0.00 N ATOM 798 CA VAL A 432 4.843 -5.362 4.537 1.00 0.00 C ATOM 799 C VAL A 432 5.374 -5.417 5.965 1.00 0.00 C ATOM 800 O VAL A 432 6.563 -5.650 6.188 1.00 0.00 O ATOM 801 CB VAL A 432 4.612 -6.798 4.030 1.00 0.00 C ATOM 802 CG1 VAL A 432 3.887 -7.624 5.081 1.00 0.00 C ATOM 803 CG2 VAL A 432 3.834 -6.782 2.723 1.00 0.00 C ATOM 0 H VAL A 432 6.523 -5.190 3.296 1.00 0.00 H new ATOM 0 HA VAL A 432 3.895 -4.824 4.526 1.00 0.00 H new ATOM 0 HB VAL A 432 5.581 -7.260 3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 432 3.732 -8.636 4.706 1.00 0.00 H new ATOM 0 HG12 VAL A 432 4.486 -7.662 5.991 1.00 0.00 H new ATOM 0 HG13 VAL A 432 2.922 -7.167 5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 432 3.680 -7.805 2.379 1.00 0.00 H new ATOM 0 HG22 VAL A 432 2.868 -6.302 2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 432 4.396 -6.227 1.972 1.00 0.00 H new ATOM 813 N PHE A 433 4.486 -5.203 6.929 1.00 0.00 N ATOM 814 CA PHE A 433 4.865 -5.228 8.337 1.00 0.00 C ATOM 815 C PHE A 433 5.016 -6.662 8.835 1.00 0.00 C ATOM 816 O PHE A 433 4.368 -7.578 8.326 1.00 0.00 O ATOM 817 CB PHE A 433 3.824 -4.490 9.182 1.00 0.00 C ATOM 818 CG PHE A 433 3.977 -2.997 9.150 1.00 0.00 C ATOM 819 CD1 PHE A 433 4.380 -2.351 7.992 1.00 0.00 C ATOM 820 CD2 PHE A 433 3.717 -2.237 10.280 1.00 0.00 C ATOM 821 CE1 PHE A 433 4.521 -0.977 7.961 1.00 0.00 C ATOM 822 CE2 PHE A 433 3.856 -0.862 10.255 1.00 0.00 C ATOM 823 CZ PHE A 433 4.259 -0.232 9.094 1.00 0.00 C ATOM 0 H PHE A 433 3.498 -5.010 6.761 1.00 0.00 H new ATOM 0 HA PHE A 433 5.826 -4.724 8.436 1.00 0.00 H new ATOM 0 HB2 PHE A 433 2.827 -4.753 8.828 1.00 0.00 H new ATOM 0 HB3 PHE A 433 3.896 -4.833 10.214 1.00 0.00 H new ATOM 0 HD1 PHE A 433 4.586 -2.929 7.103 1.00 0.00 H new ATOM 0 HD2 PHE A 433 3.402 -2.725 11.191 1.00 0.00 H new ATOM 0 HE1 PHE A 433 4.836 -0.486 7.052 1.00 0.00 H new ATOM 0 HE2 PHE A 433 3.650 -0.281 11.142 1.00 0.00 H new ATOM 0 HZ PHE A 433 4.369 0.842 9.072 1.00 0.00 H new ATOM 983 N CYS A 443 -0.302 -9.626 8.110 1.00 0.00 N ATOM 984 CA CYS A 443 -1.329 -9.626 7.075 1.00 0.00 C ATOM 985 C CYS A 443 -1.719 -8.202 6.693 1.00 0.00 C ATOM 986 O CYS A 443 -2.881 -7.924 6.397 1.00 0.00 O ATOM 987 CB CYS A 443 -2.562 -10.395 7.553 1.00 0.00 C ATOM 988 SG CYS A 443 -3.394 -9.647 8.973 1.00 0.00 S ATOM 0 HA CYS A 443 -0.920 -10.119 6.193 1.00 0.00 H new ATOM 0 HB2 CYS A 443 -3.271 -10.472 6.729 1.00 0.00 H new ATOM 0 HB3 CYS A 443 -2.265 -11.411 7.813 1.00 0.00 H new ATOM 0 HG CYS A 443 -4.425 -10.368 9.301 1.00 0.00 H new ATOM 994 N PHE A 444 -0.740 -7.304 6.703 1.00 0.00 N ATOM 995 CA PHE A 444 -0.981 -5.907 6.361 1.00 0.00 C ATOM 996 C PHE A 444 0.327 -5.197 6.023 1.00 0.00 C ATOM 997 O PHE A 444 1.356 -5.437 6.651 1.00 0.00 O ATOM 998 CB PHE A 444 -1.679 -5.190 7.517 1.00 0.00 C ATOM 999 CG PHE A 444 -0.757 -4.835 8.648 1.00 0.00 C ATOM 1000 CD1 PHE A 444 0.036 -3.701 8.583 1.00 0.00 C ATOM 1001 CD2 PHE A 444 -0.683 -5.636 9.776 1.00 0.00 C ATOM 1002 CE1 PHE A 444 0.887 -3.373 9.622 1.00 0.00 C ATOM 1003 CE2 PHE A 444 0.165 -5.313 10.819 1.00 0.00 C ATOM 1004 CZ PHE A 444 0.951 -4.180 10.742 1.00 0.00 C ATOM 0 H PHE A 444 0.228 -7.518 6.944 1.00 0.00 H new ATOM 0 HA PHE A 444 -1.627 -5.880 5.483 1.00 0.00 H new ATOM 0 HB2 PHE A 444 -2.146 -4.280 7.140 1.00 0.00 H new ATOM 0 HB3 PHE A 444 -2.479 -5.825 7.897 1.00 0.00 H new ATOM 0 HD1 PHE A 444 -0.011 -3.066 7.711 1.00 0.00 H new ATOM 0 HD2 PHE A 444 -1.295 -6.523 9.841 1.00 0.00 H new ATOM 0 HE1 PHE A 444 1.501 -2.487 9.558 1.00 0.00 H new ATOM 0 HE2 PHE A 444 0.213 -5.946 11.693 1.00 0.00 H new ATOM 0 HZ PHE A 444 1.614 -3.925 11.555 1.00 0.00 H new ATOM 1014 N GLY A 445 0.276 -4.321 5.023 1.00 0.00 N ATOM 1015 CA GLY A 445 1.462 -3.591 4.617 1.00 0.00 C ATOM 1016 C GLY A 445 1.200 -2.107 4.451 1.00 0.00 C ATOM 1017 O GLY A 445 0.053 -1.663 4.497 1.00 0.00 O ATOM 0 H GLY A 445 -0.565 -4.105 4.488 1.00 0.00 H new ATOM 0 HA2 GLY A 445 2.247 -3.738 5.359 1.00 0.00 H new ATOM 0 HA3 GLY A 445 1.832 -3.999 3.676 1.00 0.00 H new ATOM 1021 N PHE A 446 2.266 -1.337 4.259 1.00 0.00 N ATOM 1022 CA PHE A 446 2.146 0.106 4.090 1.00 0.00 C ATOM 1023 C PHE A 446 2.496 0.516 2.662 1.00 0.00 C ATOM 1024 O PHE A 446 3.263 -0.163 1.979 1.00 0.00 O ATOM 1025 CB PHE A 446 3.058 0.836 5.078 1.00 0.00 C ATOM 1026 CG PHE A 446 3.075 2.326 4.892 1.00 0.00 C ATOM 1027 CD1 PHE A 446 1.894 3.051 4.894 1.00 0.00 C ATOM 1028 CD2 PHE A 446 4.271 3.001 4.714 1.00 0.00 C ATOM 1029 CE1 PHE A 446 1.907 4.423 4.721 1.00 0.00 C ATOM 1030 CE2 PHE A 446 4.291 4.372 4.541 1.00 0.00 C ATOM 1031 CZ PHE A 446 3.107 5.084 4.545 1.00 0.00 C ATOM 0 H PHE A 446 3.223 -1.688 4.217 1.00 0.00 H new ATOM 0 HA PHE A 446 1.111 0.384 4.288 1.00 0.00 H new ATOM 0 HB2 PHE A 446 2.735 0.609 6.094 1.00 0.00 H new ATOM 0 HB3 PHE A 446 4.073 0.454 4.973 1.00 0.00 H new ATOM 0 HD1 PHE A 446 0.953 2.539 5.032 1.00 0.00 H new ATOM 0 HD2 PHE A 446 5.199 2.449 4.710 1.00 0.00 H new ATOM 0 HE1 PHE A 446 0.980 4.977 4.724 1.00 0.00 H new ATOM 0 HE2 PHE A 446 5.231 4.886 4.403 1.00 0.00 H new ATOM 0 HZ PHE A 446 3.120 6.156 4.411 1.00 0.00 H new ATOM 1041 N VAL A 447 1.928 1.633 2.216 1.00 0.00 N ATOM 1042 CA VAL A 447 2.179 2.134 0.871 1.00 0.00 C ATOM 1043 C VAL A 447 1.860 3.622 0.771 1.00 0.00 C ATOM 1044 O VAL A 447 0.948 4.118 1.432 1.00 0.00 O ATOM 1045 CB VAL A 447 1.347 1.371 -0.177 1.00 0.00 C ATOM 1046 CG1 VAL A 447 1.641 1.893 -1.575 1.00 0.00 C ATOM 1047 CG2 VAL A 447 1.621 -0.122 -0.088 1.00 0.00 C ATOM 0 H VAL A 447 1.291 2.208 2.768 1.00 0.00 H new ATOM 0 HA VAL A 447 3.238 1.977 0.667 1.00 0.00 H new ATOM 0 HB VAL A 447 0.290 1.537 0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 447 1.044 1.342 -2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 447 1.390 2.952 -1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 447 2.699 1.759 -1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 447 1.025 -0.646 -0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 447 2.679 -0.309 -0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 447 1.355 -0.482 0.906 1.00 0.00 H new ATOM 1057 N SER A 448 2.620 4.330 -0.060 1.00 0.00 N ATOM 1058 CA SER A 448 2.420 5.762 -0.244 1.00 0.00 C ATOM 1059 C SER A 448 2.791 6.184 -1.663 1.00 0.00 C ATOM 1060 O SER A 448 3.673 5.594 -2.288 1.00 0.00 O ATOM 1061 CB SER A 448 3.256 6.549 0.767 1.00 0.00 C ATOM 1062 OG SER A 448 2.639 7.784 1.087 1.00 0.00 O ATOM 0 H SER A 448 3.379 3.935 -0.615 1.00 0.00 H new ATOM 0 HA SER A 448 1.364 5.980 -0.082 1.00 0.00 H new ATOM 0 HB2 SER A 448 3.387 5.958 1.674 1.00 0.00 H new ATOM 0 HB3 SER A 448 4.250 6.731 0.359 1.00 0.00 H new ATOM 0 HG SER A 448 2.594 7.884 2.061 1.00 0.00 H new ATOM 1068 N TYR A 449 2.110 7.207 -2.166 1.00 0.00 N ATOM 1069 CA TYR A 449 2.364 7.708 -3.511 1.00 0.00 C ATOM 1070 C TYR A 449 2.979 9.104 -3.467 1.00 0.00 C ATOM 1071 O TYR A 449 3.284 9.626 -2.395 1.00 0.00 O ATOM 1072 CB TYR A 449 1.067 7.735 -4.321 1.00 0.00 C ATOM 1073 CG TYR A 449 0.679 6.388 -4.889 1.00 0.00 C ATOM 1074 CD1 TYR A 449 0.465 5.297 -4.056 1.00 0.00 C ATOM 1075 CD2 TYR A 449 0.529 6.207 -6.258 1.00 0.00 C ATOM 1076 CE1 TYR A 449 0.111 4.064 -4.570 1.00 0.00 C ATOM 1077 CE2 TYR A 449 0.174 4.978 -6.781 1.00 0.00 C ATOM 1078 CZ TYR A 449 -0.034 3.910 -5.933 1.00 0.00 C ATOM 1079 OH TYR A 449 -0.386 2.685 -6.450 1.00 0.00 O ATOM 0 H TYR A 449 1.377 7.706 -1.662 1.00 0.00 H new ATOM 0 HA TYR A 449 3.072 7.035 -3.994 1.00 0.00 H new ATOM 0 HB2 TYR A 449 0.259 8.098 -3.686 1.00 0.00 H new ATOM 0 HB3 TYR A 449 1.174 8.448 -5.139 1.00 0.00 H new ATOM 0 HD1 TYR A 449 0.577 5.414 -2.988 1.00 0.00 H new ATOM 0 HD2 TYR A 449 0.693 7.041 -6.925 1.00 0.00 H new ATOM 0 HE1 TYR A 449 -0.051 3.226 -3.908 1.00 0.00 H new ATOM 0 HE2 TYR A 449 0.060 4.854 -7.848 1.00 0.00 H new ATOM 0 HH TYR A 449 0.367 2.315 -6.956 1.00 0.00 H new ATOM 1089 N ASP A 450 3.156 9.703 -4.640 1.00 0.00 N ATOM 1090 CA ASP A 450 3.731 11.039 -4.737 1.00 0.00 C ATOM 1091 C ASP A 450 2.680 12.106 -4.449 1.00 0.00 C ATOM 1092 O ASP A 450 3.010 13.239 -4.100 1.00 0.00 O ATOM 1093 CB ASP A 450 4.331 11.259 -6.127 1.00 0.00 C ATOM 1094 CG ASP A 450 4.889 12.658 -6.302 1.00 0.00 C ATOM 1095 OD1 ASP A 450 4.093 13.584 -6.564 1.00 0.00 O ATOM 1096 OD2 ASP A 450 6.120 12.827 -6.176 1.00 0.00 O ATOM 0 H ASP A 450 2.909 9.284 -5.537 1.00 0.00 H new ATOM 0 HA ASP A 450 4.521 11.123 -3.991 1.00 0.00 H new ATOM 0 HB2 ASP A 450 5.124 10.531 -6.297 1.00 0.00 H new ATOM 0 HB3 ASP A 450 3.566 11.079 -6.882 1.00 0.00 H new ATOM 1101 N ASN A 451 1.413 11.736 -4.598 1.00 0.00 N ATOM 1102 CA ASN A 451 0.312 12.662 -4.355 1.00 0.00 C ATOM 1103 C ASN A 451 -0.950 11.912 -3.942 1.00 0.00 C ATOM 1104 O ASN A 451 -1.132 10.734 -4.253 1.00 0.00 O ATOM 1105 CB ASN A 451 0.035 13.497 -5.606 1.00 0.00 C ATOM 1106 CG ASN A 451 -0.092 12.644 -6.854 1.00 0.00 C ATOM 1107 OD1 ASN A 451 -0.408 11.457 -6.778 1.00 0.00 O ATOM 1108 ND2 ASN A 451 0.153 13.249 -8.011 1.00 0.00 N ATOM 0 H ASN A 451 1.122 10.802 -4.886 1.00 0.00 H new ATOM 0 HA ASN A 451 0.602 13.325 -3.540 1.00 0.00 H new ATOM 0 HB2 ASN A 451 -0.883 14.066 -5.463 1.00 0.00 H new ATOM 0 HB3 ASN A 451 0.840 14.219 -5.743 1.00 0.00 H new ATOM 0 HD21 ASN A 451 0.082 12.727 -8.884 1.00 0.00 H new ATOM 0 HD22 ASN A 451 0.412 14.235 -8.026 1.00 0.00 H new ATOM 1115 N PRO A 452 -1.845 12.607 -3.225 1.00 0.00 N ATOM 1116 CA PRO A 452 -3.106 12.027 -2.755 1.00 0.00 C ATOM 1117 C PRO A 452 -4.123 11.862 -3.879 1.00 0.00 C ATOM 1118 O PRO A 452 -5.222 11.351 -3.666 1.00 0.00 O ATOM 1119 CB PRO A 452 -3.605 13.047 -1.728 1.00 0.00 C ATOM 1120 CG PRO A 452 -3.019 14.343 -2.167 1.00 0.00 C ATOM 1121 CD PRO A 452 -1.695 14.014 -2.818 1.00 0.00 C ATOM 0 HA PRO A 452 -2.967 11.025 -2.348 1.00 0.00 H new ATOM 0 HB2 PRO A 452 -4.694 13.091 -1.710 1.00 0.00 H new ATOM 0 HB3 PRO A 452 -3.280 12.786 -0.721 1.00 0.00 H new ATOM 0 HG2 PRO A 452 -3.681 14.851 -2.868 1.00 0.00 H new ATOM 0 HG3 PRO A 452 -2.879 15.013 -1.319 1.00 0.00 H new ATOM 0 HD2 PRO A 452 -1.499 14.659 -3.674 1.00 0.00 H new ATOM 0 HD3 PRO A 452 -0.865 14.144 -2.124 1.00 0.00 H new ATOM 1129 N VAL A 453 -3.749 12.299 -5.078 1.00 0.00 N ATOM 1130 CA VAL A 453 -4.629 12.199 -6.237 1.00 0.00 C ATOM 1131 C VAL A 453 -4.488 10.842 -6.917 1.00 0.00 C ATOM 1132 O VAL A 453 -5.458 10.298 -7.444 1.00 0.00 O ATOM 1133 CB VAL A 453 -4.333 13.309 -7.263 1.00 0.00 C ATOM 1134 CG1 VAL A 453 -5.239 13.168 -8.477 1.00 0.00 C ATOM 1135 CG2 VAL A 453 -4.492 14.680 -6.624 1.00 0.00 C ATOM 0 H VAL A 453 -2.843 12.725 -5.272 1.00 0.00 H new ATOM 0 HA VAL A 453 -5.649 12.315 -5.872 1.00 0.00 H new ATOM 0 HB VAL A 453 -3.300 13.207 -7.597 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -5.016 13.960 -9.191 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -5.071 12.199 -8.946 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -6.280 13.244 -8.164 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -4.279 15.453 -7.363 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -5.513 14.796 -6.261 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -3.798 14.775 -5.789 1.00 0.00 H new ATOM 1145 N SER A 454 -3.275 10.300 -6.900 1.00 0.00 N ATOM 1146 CA SER A 454 -3.006 9.008 -7.519 1.00 0.00 C ATOM 1147 C SER A 454 -3.277 7.870 -6.539 1.00 0.00 C ATOM 1148 O SER A 454 -3.812 6.827 -6.914 1.00 0.00 O ATOM 1149 CB SER A 454 -1.557 8.943 -8.006 1.00 0.00 C ATOM 1150 OG SER A 454 -1.393 9.662 -9.216 1.00 0.00 O ATOM 0 H SER A 454 -2.462 10.736 -6.464 1.00 0.00 H new ATOM 0 HA SER A 454 -3.674 8.896 -8.373 1.00 0.00 H new ATOM 0 HB2 SER A 454 -0.895 9.353 -7.243 1.00 0.00 H new ATOM 0 HB3 SER A 454 -1.266 7.903 -8.155 1.00 0.00 H new ATOM 0 HG SER A 454 -0.458 9.607 -9.505 1.00 0.00 H new ATOM 1156 N ALA A 455 -2.903 8.079 -5.281 1.00 0.00 N ATOM 1157 CA ALA A 455 -3.106 7.073 -4.246 1.00 0.00 C ATOM 1158 C ALA A 455 -4.561 6.615 -4.205 1.00 0.00 C ATOM 1159 O ALA A 455 -4.848 5.468 -3.862 1.00 0.00 O ATOM 1160 CB ALA A 455 -2.683 7.618 -2.891 1.00 0.00 C ATOM 0 H ALA A 455 -2.458 8.936 -4.954 1.00 0.00 H new ATOM 0 HA ALA A 455 -2.487 6.209 -4.486 1.00 0.00 H new ATOM 0 HB1 ALA A 455 -2.840 6.856 -2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 455 -1.628 7.889 -2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 455 -3.278 8.500 -2.652 1.00 0.00 H new ATOM 1166 N GLN A 456 -5.470 7.517 -4.556 1.00 0.00 N ATOM 1167 CA GLN A 456 -6.895 7.204 -4.556 1.00 0.00 C ATOM 1168 C GLN A 456 -7.215 6.128 -5.588 1.00 0.00 C ATOM 1169 O GLN A 456 -7.940 5.176 -5.302 1.00 0.00 O ATOM 1170 CB GLN A 456 -7.714 8.464 -4.844 1.00 0.00 C ATOM 1171 CG GLN A 456 -8.074 9.253 -3.596 1.00 0.00 C ATOM 1172 CD GLN A 456 -8.872 8.436 -2.598 1.00 0.00 C ATOM 1173 OE1 GLN A 456 -8.321 8.260 -1.403 1.00 0.00 O flip ATOM 1174 NE2 GLN A 456 -9.970 7.969 -2.898 1.00 0.00 N flip ATOM 0 H GLN A 456 -5.247 8.470 -4.844 1.00 0.00 H new ATOM 0 HA GLN A 456 -7.159 6.825 -3.569 1.00 0.00 H new ATOM 0 HB2 GLN A 456 -7.151 9.107 -5.520 1.00 0.00 H new ATOM 0 HB3 GLN A 456 -8.630 8.181 -5.362 1.00 0.00 H new ATOM 0 HG2 GLN A 456 -7.160 9.609 -3.120 1.00 0.00 H new ATOM 0 HG3 GLN A 456 -8.649 10.134 -3.881 1.00 0.00 H new ATOM 0 HE21 GLN A 456 -10.355 8.129 -3.829 1.00 0.00 H new ATOM 0 HE22 GLN A 456 -10.495 7.421 -2.216 1.00 0.00 H new ATOM 1183 N ALA A 457 -6.671 6.287 -6.791 1.00 0.00 N ATOM 1184 CA ALA A 457 -6.897 5.327 -7.864 1.00 0.00 C ATOM 1185 C ALA A 457 -6.868 3.897 -7.338 1.00 0.00 C ATOM 1186 O ALA A 457 -7.714 3.077 -7.694 1.00 0.00 O ATOM 1187 CB ALA A 457 -5.859 5.510 -8.962 1.00 0.00 C ATOM 0 H ALA A 457 -6.071 7.071 -7.046 1.00 0.00 H new ATOM 0 HA ALA A 457 -7.887 5.511 -8.280 1.00 0.00 H new ATOM 0 HB1 ALA A 457 -6.039 4.787 -9.757 1.00 0.00 H new ATOM 0 HB2 ALA A 457 -5.931 6.520 -9.366 1.00 0.00 H new ATOM 0 HB3 ALA A 457 -4.862 5.355 -8.550 1.00 0.00 H new ATOM 1193 N ALA A 458 -5.888 3.604 -6.489 1.00 0.00 N ATOM 1194 CA ALA A 458 -5.750 2.272 -5.913 1.00 0.00 C ATOM 1195 C ALA A 458 -6.976 1.902 -5.085 1.00 0.00 C ATOM 1196 O ALA A 458 -7.745 1.016 -5.461 1.00 0.00 O ATOM 1197 CB ALA A 458 -4.493 2.193 -5.060 1.00 0.00 C ATOM 0 H ALA A 458 -5.178 4.271 -6.185 1.00 0.00 H new ATOM 0 HA ALA A 458 -5.667 1.557 -6.731 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -4.403 1.193 -4.636 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -3.620 2.405 -5.678 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -4.554 2.924 -4.254 1.00 0.00 H new ATOM 1203 N ILE A 459 -7.152 2.584 -3.959 1.00 0.00 N ATOM 1204 CA ILE A 459 -8.285 2.326 -3.080 1.00 0.00 C ATOM 1205 C ILE A 459 -9.572 2.149 -3.878 1.00 0.00 C ATOM 1206 O ILE A 459 -10.345 1.225 -3.631 1.00 0.00 O ATOM 1207 CB ILE A 459 -8.478 3.466 -2.062 1.00 0.00 C ATOM 1208 CG1 ILE A 459 -7.229 3.619 -1.190 1.00 0.00 C ATOM 1209 CG2 ILE A 459 -9.704 3.204 -1.199 1.00 0.00 C ATOM 1210 CD1 ILE A 459 -7.250 4.852 -0.316 1.00 0.00 C ATOM 0 H ILE A 459 -6.524 3.319 -3.634 1.00 0.00 H new ATOM 0 HA ILE A 459 -8.064 1.403 -2.543 1.00 0.00 H new ATOM 0 HB ILE A 459 -8.633 4.397 -2.607 1.00 0.00 H new ATOM 0 HG12 ILE A 459 -7.127 2.737 -0.558 1.00 0.00 H new ATOM 0 HG13 ILE A 459 -6.349 3.654 -1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 459 -9.827 4.018 -0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 459 -10.588 3.141 -1.833 1.00 0.00 H new ATOM 0 HG23 ILE A 459 -9.576 2.265 -0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 459 -6.334 4.895 0.274 1.00 0.00 H new ATOM 0 HD12 ILE A 459 -7.321 5.741 -0.943 1.00 0.00 H new ATOM 0 HD13 ILE A 459 -8.110 4.810 0.352 1.00 0.00 H new ATOM 1222 N GLN A 460 -9.793 3.042 -4.838 1.00 0.00 N ATOM 1223 CA GLN A 460 -10.986 2.983 -5.674 1.00 0.00 C ATOM 1224 C GLN A 460 -11.331 1.541 -6.030 1.00 0.00 C ATOM 1225 O GLN A 460 -12.486 1.126 -5.931 1.00 0.00 O ATOM 1226 CB GLN A 460 -10.781 3.800 -6.951 1.00 0.00 C ATOM 1227 CG GLN A 460 -10.715 5.299 -6.708 1.00 0.00 C ATOM 1228 CD GLN A 460 -12.064 5.895 -6.361 1.00 0.00 C ATOM 1229 OE1 GLN A 460 -12.255 6.437 -5.272 1.00 0.00 O ATOM 1230 NE2 GLN A 460 -13.010 5.799 -7.288 1.00 0.00 N ATOM 0 H GLN A 460 -9.162 3.814 -5.056 1.00 0.00 H new ATOM 0 HA GLN A 460 -11.816 3.407 -5.109 1.00 0.00 H new ATOM 0 HB2 GLN A 460 -9.859 3.478 -7.435 1.00 0.00 H new ATOM 0 HB3 GLN A 460 -11.596 3.588 -7.643 1.00 0.00 H new ATOM 0 HG2 GLN A 460 -10.014 5.501 -5.898 1.00 0.00 H new ATOM 0 HG3 GLN A 460 -10.323 5.790 -7.599 1.00 0.00 H new ATOM 0 HE21 GLN A 460 -12.808 5.341 -8.177 1.00 0.00 H new ATOM 0 HE22 GLN A 460 -13.938 6.183 -7.111 1.00 0.00 H new ATOM 1239 N SER A 461 -10.322 0.781 -6.445 1.00 0.00 N ATOM 1240 CA SER A 461 -10.520 -0.614 -6.819 1.00 0.00 C ATOM 1241 C SER A 461 -10.029 -1.548 -5.716 1.00 0.00 C ATOM 1242 O SER A 461 -10.783 -2.380 -5.212 1.00 0.00 O ATOM 1243 CB SER A 461 -9.787 -0.922 -8.127 1.00 0.00 C ATOM 1244 OG SER A 461 -9.876 -2.299 -8.449 1.00 0.00 O ATOM 0 H SER A 461 -9.360 1.108 -6.531 1.00 0.00 H new ATOM 0 HA SER A 461 -11.588 -0.778 -6.961 1.00 0.00 H new ATOM 0 HB2 SER A 461 -10.214 -0.328 -8.935 1.00 0.00 H new ATOM 0 HB3 SER A 461 -8.740 -0.633 -8.037 1.00 0.00 H new ATOM 0 HG SER A 461 -9.401 -2.470 -9.289 1.00 0.00 H new ATOM 1250 N MET A 462 -8.761 -1.403 -5.348 1.00 0.00 N ATOM 1251 CA MET A 462 -8.169 -2.231 -4.304 1.00 0.00 C ATOM 1252 C MET A 462 -9.128 -2.393 -3.129 1.00 0.00 C ATOM 1253 O MET A 462 -9.285 -3.487 -2.590 1.00 0.00 O ATOM 1254 CB MET A 462 -6.852 -1.620 -3.823 1.00 0.00 C ATOM 1255 CG MET A 462 -5.832 -1.423 -4.932 1.00 0.00 C ATOM 1256 SD MET A 462 -5.613 -2.899 -5.944 1.00 0.00 S ATOM 1257 CE MET A 462 -4.847 -4.008 -4.765 1.00 0.00 C ATOM 0 H MET A 462 -8.123 -0.720 -5.757 1.00 0.00 H new ATOM 0 HA MET A 462 -7.970 -3.216 -4.726 1.00 0.00 H new ATOM 0 HB2 MET A 462 -7.057 -0.657 -3.354 1.00 0.00 H new ATOM 0 HB3 MET A 462 -6.422 -2.263 -3.055 1.00 0.00 H new ATOM 0 HG2 MET A 462 -6.147 -0.595 -5.567 1.00 0.00 H new ATOM 0 HG3 MET A 462 -4.874 -1.142 -4.494 1.00 0.00 H new ATOM 0 HE1 MET A 462 -3.907 -4.380 -5.173 1.00 0.00 H new ATOM 0 HE2 MET A 462 -4.653 -3.473 -3.835 1.00 0.00 H new ATOM 0 HE3 MET A 462 -5.514 -4.847 -4.568 1.00 0.00 H new ATOM 1267 N ASN A 463 -9.766 -1.295 -2.738 1.00 0.00 N ATOM 1268 CA ASN A 463 -10.710 -1.315 -1.625 1.00 0.00 C ATOM 1269 C ASN A 463 -11.640 -2.520 -1.723 1.00 0.00 C ATOM 1270 O ASN A 463 -12.498 -2.585 -2.602 1.00 0.00 O ATOM 1271 CB ASN A 463 -11.529 -0.024 -1.601 1.00 0.00 C ATOM 1272 CG ASN A 463 -12.663 -0.077 -0.594 1.00 0.00 C ATOM 1273 OD1 ASN A 463 -12.441 0.019 0.612 1.00 0.00 O ATOM 1274 ND2 ASN A 463 -13.886 -0.232 -1.088 1.00 0.00 N ATOM 0 H ASN A 463 -9.647 -0.381 -3.174 1.00 0.00 H new ATOM 0 HA ASN A 463 -10.141 -1.393 -0.699 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -10.874 0.814 -1.363 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -11.937 0.163 -2.594 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -14.688 -0.276 -0.459 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -14.023 -0.307 -2.096 1.00 0.00 H new ATOM 1281 N GLY A 464 -11.464 -3.473 -0.812 1.00 0.00 N ATOM 1282 CA GLY A 464 -12.294 -4.663 -0.814 1.00 0.00 C ATOM 1283 C GLY A 464 -11.931 -5.624 -1.928 1.00 0.00 C ATOM 1284 O GLY A 464 -12.796 -6.308 -2.474 1.00 0.00 O ATOM 0 H GLY A 464 -10.762 -3.442 -0.073 1.00 0.00 H new ATOM 0 HA2 GLY A 464 -12.197 -5.171 0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 464 -13.340 -4.372 -0.916 1.00 0.00 H new ATOM 1288 N PHE A 465 -10.647 -5.674 -2.267 1.00 0.00 N ATOM 1289 CA PHE A 465 -10.171 -6.556 -3.326 1.00 0.00 C ATOM 1290 C PHE A 465 -10.306 -8.021 -2.917 1.00 0.00 C ATOM 1291 O PHE A 465 -9.629 -8.483 -1.999 1.00 0.00 O ATOM 1292 CB PHE A 465 -8.712 -6.242 -3.663 1.00 0.00 C ATOM 1293 CG PHE A 465 -8.150 -7.105 -4.757 1.00 0.00 C ATOM 1294 CD1 PHE A 465 -7.873 -8.444 -4.528 1.00 0.00 C ATOM 1295 CD2 PHE A 465 -7.898 -6.577 -6.013 1.00 0.00 C ATOM 1296 CE1 PHE A 465 -7.356 -9.240 -5.531 1.00 0.00 C ATOM 1297 CE2 PHE A 465 -7.381 -7.370 -7.020 1.00 0.00 C ATOM 1298 CZ PHE A 465 -7.108 -8.702 -6.779 1.00 0.00 C ATOM 0 H PHE A 465 -9.918 -5.115 -1.824 1.00 0.00 H new ATOM 0 HA PHE A 465 -10.786 -6.386 -4.210 1.00 0.00 H new ATOM 0 HB2 PHE A 465 -8.633 -5.196 -3.959 1.00 0.00 H new ATOM 0 HB3 PHE A 465 -8.106 -6.366 -2.766 1.00 0.00 H new ATOM 0 HD1 PHE A 465 -8.064 -8.869 -3.554 1.00 0.00 H new ATOM 0 HD2 PHE A 465 -8.108 -5.535 -6.207 1.00 0.00 H new ATOM 0 HE1 PHE A 465 -7.146 -10.282 -5.340 1.00 0.00 H new ATOM 0 HE2 PHE A 465 -7.190 -6.948 -7.996 1.00 0.00 H new ATOM 0 HZ PHE A 465 -6.701 -9.322 -7.564 1.00 0.00 H new ATOM 1308 N GLN A 466 -11.185 -8.742 -3.604 1.00 0.00 N ATOM 1309 CA GLN A 466 -11.410 -10.152 -3.311 1.00 0.00 C ATOM 1310 C GLN A 466 -10.208 -10.993 -3.728 1.00 0.00 C ATOM 1311 O GLN A 466 -9.952 -11.180 -4.918 1.00 0.00 O ATOM 1312 CB GLN A 466 -12.668 -10.649 -4.026 1.00 0.00 C ATOM 1313 CG GLN A 466 -13.069 -12.064 -3.640 1.00 0.00 C ATOM 1314 CD GLN A 466 -12.101 -13.108 -4.164 1.00 0.00 C ATOM 1315 OE1 GLN A 466 -11.361 -13.735 -3.258 1.00 0.00 O flip ATOM 1316 NE2 GLN A 466 -12.021 -13.347 -5.369 1.00 0.00 N flip ATOM 0 H GLN A 466 -11.753 -8.373 -4.367 1.00 0.00 H new ATOM 0 HA GLN A 466 -11.547 -10.256 -2.235 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -13.493 -9.973 -3.803 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -12.504 -10.608 -5.103 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -13.125 -12.138 -2.554 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -14.067 -12.273 -4.026 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -12.610 -12.840 -6.030 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -11.366 -14.052 -5.707 1.00 0.00 H new ATOM 1325 N ILE A 467 -9.475 -11.500 -2.742 1.00 0.00 N ATOM 1326 CA ILE A 467 -8.301 -12.321 -3.008 1.00 0.00 C ATOM 1327 C ILE A 467 -8.402 -13.668 -2.301 1.00 0.00 C ATOM 1328 O ILE A 467 -8.768 -13.741 -1.129 1.00 0.00 O ATOM 1329 CB ILE A 467 -7.007 -11.615 -2.560 1.00 0.00 C ATOM 1330 CG1 ILE A 467 -5.795 -12.232 -3.262 1.00 0.00 C ATOM 1331 CG2 ILE A 467 -6.852 -11.702 -1.049 1.00 0.00 C ATOM 1332 CD1 ILE A 467 -4.547 -11.383 -3.170 1.00 0.00 C ATOM 0 H ILE A 467 -9.674 -11.356 -1.752 1.00 0.00 H new ATOM 0 HA ILE A 467 -8.264 -12.480 -4.086 1.00 0.00 H new ATOM 0 HB ILE A 467 -7.069 -10.563 -2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -5.592 -13.210 -2.826 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -6.037 -12.395 -4.312 1.00 0.00 H new ATOM 0 HG21 ILE A 467 -5.933 -11.199 -0.748 1.00 0.00 H new ATOM 0 HG22 ILE A 467 -7.704 -11.221 -0.568 1.00 0.00 H new ATOM 0 HG23 ILE A 467 -6.808 -12.749 -0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -3.729 -11.882 -3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -4.732 -10.413 -3.632 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -4.280 -11.241 -2.123 1.00 0.00 H new ATOM 1344 N GLY A 468 -8.074 -14.735 -3.023 1.00 0.00 N ATOM 1345 CA GLY A 468 -8.132 -16.067 -2.450 1.00 0.00 C ATOM 1346 C GLY A 468 -9.518 -16.421 -1.948 1.00 0.00 C ATOM 1347 O GLY A 468 -10.404 -16.756 -2.734 1.00 0.00 O ATOM 0 H GLY A 468 -7.769 -14.701 -3.996 1.00 0.00 H new ATOM 0 HA2 GLY A 468 -7.823 -16.796 -3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 468 -7.422 -16.136 -1.626 1.00 0.00 H new ATOM 1351 N MET A 469 -9.706 -16.349 -0.634 1.00 0.00 N ATOM 1352 CA MET A 469 -10.995 -16.665 -0.028 1.00 0.00 C ATOM 1353 C MET A 469 -11.499 -15.499 0.817 1.00 0.00 C ATOM 1354 O MET A 469 -12.642 -15.499 1.274 1.00 0.00 O ATOM 1355 CB MET A 469 -10.882 -17.924 0.834 1.00 0.00 C ATOM 1356 CG MET A 469 -11.103 -19.213 0.059 1.00 0.00 C ATOM 1357 SD MET A 469 -9.575 -19.880 -0.629 1.00 0.00 S ATOM 1358 CE MET A 469 -10.177 -21.387 -1.388 1.00 0.00 C ATOM 0 H MET A 469 -8.983 -16.075 0.031 1.00 0.00 H new ATOM 0 HA MET A 469 -11.711 -16.845 -0.830 1.00 0.00 H new ATOM 0 HB2 MET A 469 -9.895 -17.951 1.295 1.00 0.00 H new ATOM 0 HB3 MET A 469 -11.610 -17.867 1.643 1.00 0.00 H new ATOM 0 HG2 MET A 469 -11.555 -19.955 0.717 1.00 0.00 H new ATOM 0 HG3 MET A 469 -11.811 -19.030 -0.749 1.00 0.00 H new ATOM 0 HE1 MET A 469 -9.347 -21.914 -1.858 1.00 0.00 H new ATOM 0 HE2 MET A 469 -10.627 -22.024 -0.626 1.00 0.00 H new ATOM 0 HE3 MET A 469 -10.924 -21.141 -2.143 1.00 0.00 H new ATOM 1368 N LYS A 470 -10.640 -14.507 1.021 1.00 0.00 N ATOM 1369 CA LYS A 470 -10.997 -13.334 1.810 1.00 0.00 C ATOM 1370 C LYS A 470 -10.874 -12.061 0.978 1.00 0.00 C ATOM 1371 O LYS A 470 -10.499 -12.107 -0.192 1.00 0.00 O ATOM 1372 CB LYS A 470 -10.105 -13.236 3.049 1.00 0.00 C ATOM 1373 CG LYS A 470 -8.621 -13.205 2.728 1.00 0.00 C ATOM 1374 CD LYS A 470 -7.801 -12.752 3.925 1.00 0.00 C ATOM 1375 CE LYS A 470 -6.342 -13.160 3.788 1.00 0.00 C ATOM 1376 NZ LYS A 470 -6.085 -14.503 4.379 1.00 0.00 N ATOM 0 H LYS A 470 -9.690 -14.492 0.650 1.00 0.00 H new ATOM 0 HA LYS A 470 -12.035 -13.441 2.126 1.00 0.00 H new ATOM 0 HB2 LYS A 470 -10.367 -12.336 3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 470 -10.309 -14.085 3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 470 -8.294 -14.197 2.416 1.00 0.00 H new ATOM 0 HG3 LYS A 470 -8.443 -12.533 1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 470 -7.869 -11.669 4.025 1.00 0.00 H new ATOM 0 HD3 LYS A 470 -8.216 -13.183 4.836 1.00 0.00 H new ATOM 0 HE2 LYS A 470 -6.064 -13.168 2.734 1.00 0.00 H new ATOM 0 HE3 LYS A 470 -5.710 -12.420 4.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 -5.080 -14.745 4.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 -6.326 -14.489 5.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 -6.669 -15.213 3.894 1.00 0.00 H new ATOM 1390 N ARG A 471 -11.192 -10.926 1.593 1.00 0.00 N ATOM 1391 CA ARG A 471 -11.116 -9.641 0.910 1.00 0.00 C ATOM 1392 C ARG A 471 -10.003 -8.778 1.496 1.00 0.00 C ATOM 1393 O ARG A 471 -9.497 -9.052 2.586 1.00 0.00 O ATOM 1394 CB ARG A 471 -12.453 -8.905 1.013 1.00 0.00 C ATOM 1395 CG ARG A 471 -13.612 -9.656 0.379 1.00 0.00 C ATOM 1396 CD ARG A 471 -14.941 -8.972 0.663 1.00 0.00 C ATOM 1397 NE ARG A 471 -16.006 -9.462 -0.209 1.00 0.00 N ATOM 1398 CZ ARG A 471 -17.145 -8.811 -0.416 1.00 0.00 C ATOM 1399 NH1 ARG A 471 -17.365 -7.648 0.182 1.00 0.00 N ATOM 1400 NH2 ARG A 471 -18.066 -9.321 -1.223 1.00 0.00 N ATOM 0 H ARG A 471 -11.504 -10.871 2.562 1.00 0.00 H new ATOM 0 HA ARG A 471 -10.892 -9.829 -0.140 1.00 0.00 H new ATOM 0 HB2 ARG A 471 -12.679 -8.725 2.064 1.00 0.00 H new ATOM 0 HB3 ARG A 471 -12.359 -7.930 0.536 1.00 0.00 H new ATOM 0 HG2 ARG A 471 -13.458 -9.722 -0.698 1.00 0.00 H new ATOM 0 HG3 ARG A 471 -13.638 -10.677 0.761 1.00 0.00 H new ATOM 0 HD2 ARG A 471 -15.219 -9.138 1.704 1.00 0.00 H new ATOM 0 HD3 ARG A 471 -14.830 -7.896 0.531 1.00 0.00 H new ATOM 0 HE ARG A 471 -15.867 -10.353 -0.685 1.00 0.00 H new ATOM 0 HH11 ARG A 471 -16.659 -7.252 0.802 1.00 0.00 H new ATOM 0 HH12 ARG A 471 -18.240 -7.150 0.022 1.00 0.00 H new ATOM 0 HH21 ARG A 471 -17.900 -10.215 -1.686 1.00 0.00 H new ATOM 0 HH22 ARG A 471 -18.940 -8.820 -1.381 1.00 0.00 H new ATOM 1414 N LEU A 472 -9.623 -7.735 0.766 1.00 0.00 N ATOM 1415 CA LEU A 472 -8.567 -6.831 1.212 1.00 0.00 C ATOM 1416 C LEU A 472 -9.148 -5.494 1.656 1.00 0.00 C ATOM 1417 O LEU A 472 -10.255 -5.124 1.263 1.00 0.00 O ATOM 1418 CB LEU A 472 -7.548 -6.613 0.092 1.00 0.00 C ATOM 1419 CG LEU A 472 -6.728 -7.836 -0.317 1.00 0.00 C ATOM 1420 CD1 LEU A 472 -5.995 -7.575 -1.623 1.00 0.00 C ATOM 1421 CD2 LEU A 472 -5.744 -8.211 0.783 1.00 0.00 C ATOM 0 H LEU A 472 -10.030 -7.494 -0.138 1.00 0.00 H new ATOM 0 HA LEU A 472 -8.066 -7.289 2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 472 -8.077 -6.245 -0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 472 -6.860 -5.826 0.402 1.00 0.00 H new ATOM 0 HG LEU A 472 -7.410 -8.673 -0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 472 -5.417 -8.457 -1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 472 -6.718 -7.356 -2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 472 -5.324 -6.725 -1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 472 -5.169 -9.084 0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 472 -5.067 -7.376 0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 472 -6.291 -8.442 1.697 1.00 0.00 H new ATOM 1433 N LYS A 473 -8.393 -4.769 2.476 1.00 0.00 N ATOM 1434 CA LYS A 473 -8.831 -3.469 2.971 1.00 0.00 C ATOM 1435 C LYS A 473 -7.727 -2.428 2.812 1.00 0.00 C ATOM 1436 O LYS A 473 -6.777 -2.392 3.594 1.00 0.00 O ATOM 1437 CB LYS A 473 -9.242 -3.572 4.441 1.00 0.00 C ATOM 1438 CG LYS A 473 -9.963 -2.340 4.959 1.00 0.00 C ATOM 1439 CD LYS A 473 -10.842 -2.670 6.154 1.00 0.00 C ATOM 1440 CE LYS A 473 -10.981 -1.478 7.089 1.00 0.00 C ATOM 1441 NZ LYS A 473 -12.278 -1.493 7.818 1.00 0.00 N ATOM 0 H LYS A 473 -7.475 -5.060 2.812 1.00 0.00 H new ATOM 0 HA LYS A 473 -9.692 -3.154 2.381 1.00 0.00 H new ATOM 0 HB2 LYS A 473 -9.887 -4.441 4.569 1.00 0.00 H new ATOM 0 HB3 LYS A 473 -8.352 -3.744 5.047 1.00 0.00 H new ATOM 0 HG2 LYS A 473 -9.233 -1.582 5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 473 -10.574 -1.913 4.163 1.00 0.00 H new ATOM 0 HD2 LYS A 473 -11.828 -2.979 5.807 1.00 0.00 H new ATOM 0 HD3 LYS A 473 -10.417 -3.513 6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 473 -10.161 -1.482 7.807 1.00 0.00 H new ATOM 0 HE3 LYS A 473 -10.898 -0.555 6.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 -12.334 -0.665 8.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 -13.061 -1.463 7.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 -12.347 -2.362 8.386 1.00 0.00 H new ATOM 1455 N VAL A 474 -7.861 -1.581 1.796 1.00 0.00 N ATOM 1456 CA VAL A 474 -6.877 -0.538 1.537 1.00 0.00 C ATOM 1457 C VAL A 474 -7.447 0.843 1.840 1.00 0.00 C ATOM 1458 O VAL A 474 -8.497 1.220 1.318 1.00 0.00 O ATOM 1459 CB VAL A 474 -6.394 -0.571 0.074 1.00 0.00 C ATOM 1460 CG1 VAL A 474 -5.194 0.344 -0.113 1.00 0.00 C ATOM 1461 CG2 VAL A 474 -6.060 -1.996 -0.343 1.00 0.00 C ATOM 0 H VAL A 474 -8.641 -1.597 1.139 1.00 0.00 H new ATOM 0 HA VAL A 474 -6.031 -0.732 2.196 1.00 0.00 H new ATOM 0 HB VAL A 474 -7.199 -0.208 -0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 474 -4.867 0.307 -1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 474 -5.472 1.366 0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 474 -4.381 0.015 0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 474 -5.720 -2.002 -1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 474 -5.272 -2.388 0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 474 -6.948 -2.620 -0.249 1.00 0.00 H new ATOM 1471 N GLN A 475 -6.749 1.593 2.686 1.00 0.00 N ATOM 1472 CA GLN A 475 -7.188 2.934 3.059 1.00 0.00 C ATOM 1473 C GLN A 475 -5.998 3.812 3.431 1.00 0.00 C ATOM 1474 O GLN A 475 -5.020 3.337 4.010 1.00 0.00 O ATOM 1475 CB GLN A 475 -8.171 2.865 4.229 1.00 0.00 C ATOM 1476 CG GLN A 475 -8.864 4.186 4.519 1.00 0.00 C ATOM 1477 CD GLN A 475 -10.059 4.428 3.619 1.00 0.00 C ATOM 1478 OE1 GLN A 475 -10.810 3.505 3.304 1.00 0.00 O ATOM 1479 NE2 GLN A 475 -10.244 5.676 3.201 1.00 0.00 N ATOM 0 H GLN A 475 -5.878 1.296 3.126 1.00 0.00 H new ATOM 0 HA GLN A 475 -7.689 3.377 2.198 1.00 0.00 H new ATOM 0 HB2 GLN A 475 -8.925 2.108 4.015 1.00 0.00 H new ATOM 0 HB3 GLN A 475 -7.638 2.540 5.122 1.00 0.00 H new ATOM 0 HG2 GLN A 475 -9.189 4.201 5.559 1.00 0.00 H new ATOM 0 HG3 GLN A 475 -8.151 5.001 4.396 1.00 0.00 H new ATOM 0 HE21 GLN A 475 -9.597 6.411 3.487 1.00 0.00 H new ATOM 0 HE22 GLN A 475 -11.033 5.899 2.595 1.00 0.00 H new ATOM 1488 N LEU A 476 -6.086 5.093 3.093 1.00 0.00 N ATOM 1489 CA LEU A 476 -5.015 6.039 3.391 1.00 0.00 C ATOM 1490 C LEU A 476 -5.154 6.589 4.808 1.00 0.00 C ATOM 1491 O LEU A 476 -6.221 7.062 5.200 1.00 0.00 O ATOM 1492 CB LEU A 476 -5.028 7.189 2.383 1.00 0.00 C ATOM 1493 CG LEU A 476 -6.056 8.293 2.635 1.00 0.00 C ATOM 1494 CD1 LEU A 476 -5.554 9.256 3.700 1.00 0.00 C ATOM 1495 CD2 LEU A 476 -6.367 9.036 1.345 1.00 0.00 C ATOM 0 H LEU A 476 -6.888 5.501 2.612 1.00 0.00 H new ATOM 0 HA LEU A 476 -4.065 5.510 3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 476 -4.036 7.641 2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 476 -5.207 6.774 1.391 1.00 0.00 H new ATOM 0 HG LEU A 476 -6.976 7.832 2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 476 -6.298 10.035 3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 476 -5.383 8.713 4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 476 -4.621 9.711 3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 476 -7.100 9.818 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 476 -5.454 9.485 0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 476 -6.770 8.338 0.611 1.00 0.00 H new ATOM 1507 N LYS A 477 -4.067 6.525 5.569 1.00 0.00 N ATOM 1508 CA LYS A 477 -4.064 7.020 6.941 1.00 0.00 C ATOM 1509 C LYS A 477 -5.003 8.213 7.091 1.00 0.00 C ATOM 1510 O LYS A 477 -6.059 8.110 7.715 1.00 0.00 O ATOM 1511 CB LYS A 477 -2.647 7.416 7.359 1.00 0.00 C ATOM 1512 CG LYS A 477 -2.381 7.247 8.846 1.00 0.00 C ATOM 1513 CD LYS A 477 -1.871 5.852 9.166 1.00 0.00 C ATOM 1514 CE LYS A 477 -1.903 5.576 10.662 1.00 0.00 C ATOM 1515 NZ LYS A 477 -0.663 6.051 11.338 1.00 0.00 N ATOM 0 H LYS A 477 -3.177 6.135 5.259 1.00 0.00 H new ATOM 0 HA LYS A 477 -4.417 6.219 7.591 1.00 0.00 H new ATOM 0 HB2 LYS A 477 -1.931 6.814 6.800 1.00 0.00 H new ATOM 0 HB3 LYS A 477 -2.473 8.456 7.083 1.00 0.00 H new ATOM 0 HG2 LYS A 477 -1.650 7.986 9.172 1.00 0.00 H new ATOM 0 HG3 LYS A 477 -3.297 7.437 9.404 1.00 0.00 H new ATOM 0 HD2 LYS A 477 -2.480 5.113 8.645 1.00 0.00 H new ATOM 0 HD3 LYS A 477 -0.851 5.743 8.797 1.00 0.00 H new ATOM 0 HE2 LYS A 477 -2.769 6.068 11.104 1.00 0.00 H new ATOM 0 HE3 LYS A 477 -2.023 4.506 10.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 -0.722 5.845 12.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 0.162 5.563 10.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 -0.562 7.076 11.197 1.00 0.00 H new