USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 861 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: B 430 TYR OH : rot 15:sc= -2.76! USER MOD Set 1.2: B 447 GLN :FLIP amide:sc= -0.155 F(o=-3.6,f=-2.9) USER MOD Set 2.1: B 429 CYS SG : rot 0:sc= -3.3! USER MOD Set 2.2: B 433 ASN : amide:sc= -1.82! C(o=-14!,f=-24!) USER MOD Set 2.3: B 437 HIS : no HD1:sc= -8.5! C(o=-14!,f=-25!) USER MOD Set 3.1: B 401 SER OG : rot 180:sc= 0.413 USER MOD Set 3.2: B 404 LYS NZ :NH3+ 132:sc= 0.448 (180deg=0.428) USER MOD Set 4.1: B 369 HIS : no HD1:sc= -20.7! C(o=-19!,f=-20!) USER MOD Set 4.2: B 372 TYR OH : rot -52:sc= 1.26 USER MOD Set 5.1: B 357 CYS SG : rot -26:sc= -18.4! USER MOD Set 5.2: B 358 SER OG : rot 90:sc= -0.154! USER MOD Set 6.1: B 351 SER OG : rot 180:sc= -0.0813 USER MOD Set 6.2: B 355 LYS NZ :NH3+ 161:sc= 0.0331 (180deg=-0.388) USER MOD Single : B 353 GLN : amide:sc= -3.5! C(o=-3.5!,f=-11!) USER MOD Single : B 356 CYS SG : rot 180:sc= 0 USER MOD Single : B 362 LYS NZ :NH3+ 144:sc= -0.182 (180deg=-1.08) USER MOD Single : B 364 MET CE :methyl 149:sc= -3.2 (180deg=-5.2!) USER MOD Single : B 367 LYS NZ :NH3+ 172:sc=-0.00669 (180deg=-0.104) USER MOD Single : B 368 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 377 TYR OH : rot -130:sc= -2.1! USER MOD Single : B 378 LYS NZ :NH3+ 155:sc= -0.302 (180deg=-1.06) USER MOD Single : B 388 HIS : no HD1:sc= 0 X(o=0,f=-0.0083) USER MOD Single : B 390 TYR OH : rot 180:sc= -4.66! USER MOD Single : B 391 CYS SG : rot -28:sc= 0.155 USER MOD Single : B 395 LYS NZ :NH3+ 163:sc= -0.0142 (180deg=-0.22) USER MOD Single : B 396 HIS :FLIP no HD1:sc= -0.353 F(o=-1,f=-0.35) USER MOD Single : B 398 MET CE :methyl -105:sc= -6.53! (180deg=-6.78!) USER MOD Single : B 400 MET CE :methyl 174:sc= -11! (180deg=-11.9!) USER MOD Single : B 402 THR OG1 : rot 34:sc= 1.16 USER MOD Single : B 405 SER OG : rot 180:sc= 0 USER MOD Single : B 406 LYS NZ :NH3+ 168:sc= -0.8 (180deg=-0.817) USER MOD Single : B 412 TYR OH : rot -47:sc= -0.582 USER MOD Single : B 416 GLN : amide:sc= -0.138 K(o=-0.14,f=-1.4!) USER MOD Single : B 425 MET CE :methyl -159:sc= -8.86! (180deg=-10.5!) USER MOD Single : B 427 SER OG : rot 180:sc= 0 USER MOD Single : B 428 ASN : amide:sc= -6.4! C(o=-6.4!,f=-10!) USER MOD Single : B 431 LYS NZ :NH3+ -150:sc= -0.221 (180deg=-1.16) USER MOD Single : B 432 TYR OH : rot 80:sc= -1.11! USER MOD Single : B 442 MET CE :methyl -128:sc= -1.82 (180deg=-4.56!) USER MOD Single : B 445 LYS NZ :NH3+ -119:sc= -0.14 (180deg=-0.712) USER MOD Single : B 452 MET CE :methyl -177:sc= -0.629 (180deg=-0.69) USER MOD ----------------------------------------------------------------- ATOM 88 N ARG A 7 18.746 2.643 -0.971 1.00 0.00 N ATOM 89 CA ARG A 7 19.770 1.703 -1.437 1.00 0.00 C ATOM 90 C ARG A 7 19.245 0.267 -1.277 1.00 0.00 C ATOM 91 O ARG A 7 19.966 -0.715 -1.457 1.00 0.00 O ATOM 92 CB ARG A 7 21.087 1.908 -0.672 1.00 0.00 C ATOM 93 CG ARG A 7 22.267 1.128 -1.231 1.00 0.00 C ATOM 94 CD ARG A 7 22.590 1.544 -2.657 1.00 0.00 C ATOM 95 NE ARG A 7 23.680 0.749 -3.222 1.00 0.00 N ATOM 96 CZ ARG A 7 23.915 0.636 -4.529 1.00 0.00 C ATOM 97 NH1 ARG A 7 23.145 1.271 -5.404 1.00 0.00 N ATOM 98 NH2 ARG A 7 24.922 -0.111 -4.962 1.00 0.00 N ATOM 0 HA ARG A 7 19.980 1.886 -2.491 1.00 0.00 H new ATOM 0 HB2 ARG A 7 21.334 2.970 -0.677 1.00 0.00 H new ATOM 0 HB3 ARG A 7 20.937 1.620 0.369 1.00 0.00 H new ATOM 0 HG2 ARG A 7 23.141 1.287 -0.599 1.00 0.00 H new ATOM 0 HG3 ARG A 7 22.044 0.061 -1.205 1.00 0.00 H new ATOM 0 HD2 ARG A 7 21.701 1.434 -3.278 1.00 0.00 H new ATOM 0 HD3 ARG A 7 22.863 2.599 -2.675 1.00 0.00 H new ATOM 0 HE ARG A 7 24.296 0.252 -2.578 1.00 0.00 H new ATOM 0 HH11 ARG A 7 22.370 1.848 -5.077 1.00 0.00 H new ATOM 0 HH12 ARG A 7 23.328 1.182 -6.403 1.00 0.00 H new ATOM 0 HH21 ARG A 7 25.518 -0.600 -4.294 1.00 0.00 H new ATOM 0 HH22 ARG A 7 25.100 -0.196 -5.963 1.00 0.00 H new ATOM 112 N GLY A 8 17.954 0.176 -0.966 1.00 0.00 N ATOM 113 CA GLY A 8 17.325 -1.085 -0.693 1.00 0.00 C ATOM 114 C GLY A 8 16.885 -1.780 -1.951 1.00 0.00 C ATOM 115 O GLY A 8 16.859 -1.169 -3.023 1.00 0.00 O ATOM 0 H GLY A 8 17.329 0.979 -0.900 1.00 0.00 H new ATOM 0 HA2 GLY A 8 18.019 -1.726 -0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 8 16.462 -0.927 -0.046 1.00 0.00 H new ATOM 450 N VAL B 350 -19.119 -1.451 2.584 1.00 0.00 N ATOM 451 CA VAL B 350 -17.867 -1.331 3.311 1.00 0.00 C ATOM 452 C VAL B 350 -17.021 -2.585 3.271 1.00 0.00 C ATOM 453 O VAL B 350 -15.927 -2.596 2.714 1.00 0.00 O ATOM 454 CB VAL B 350 -18.213 -0.969 4.749 1.00 0.00 C ATOM 455 CG1 VAL B 350 -17.039 -0.360 5.427 1.00 0.00 C ATOM 456 CG2 VAL B 350 -19.391 -0.025 4.733 1.00 0.00 C ATOM 0 HA VAL B 350 -17.261 -0.561 2.834 1.00 0.00 H new ATOM 0 HB VAL B 350 -18.479 -1.865 5.310 1.00 0.00 H new ATOM 0 HG11 VAL B 350 -17.303 -0.107 6.454 1.00 0.00 H new ATOM 0 HG12 VAL B 350 -16.212 -1.070 5.429 1.00 0.00 H new ATOM 0 HG13 VAL B 350 -16.740 0.544 4.896 1.00 0.00 H new ATOM 0 HG21 VAL B 350 -19.654 0.246 5.755 1.00 0.00 H new ATOM 0 HG22 VAL B 350 -19.129 0.874 4.175 1.00 0.00 H new ATOM 0 HG23 VAL B 350 -20.242 -0.513 4.257 1.00 0.00 H new ATOM 466 N SER B 351 -17.515 -3.622 3.883 1.00 0.00 N ATOM 467 CA SER B 351 -16.857 -4.904 3.845 1.00 0.00 C ATOM 468 C SER B 351 -16.825 -5.439 2.414 1.00 0.00 C ATOM 469 O SER B 351 -15.970 -6.253 2.047 1.00 0.00 O ATOM 470 CB SER B 351 -17.564 -5.844 4.808 1.00 0.00 C ATOM 471 OG SER B 351 -17.043 -7.159 4.734 1.00 0.00 O ATOM 0 H SER B 351 -18.381 -3.608 4.421 1.00 0.00 H new ATOM 0 HA SER B 351 -15.819 -4.813 4.164 1.00 0.00 H new ATOM 0 HB2 SER B 351 -17.460 -5.468 5.826 1.00 0.00 H new ATOM 0 HB3 SER B 351 -18.630 -5.862 4.582 1.00 0.00 H new ATOM 0 HG SER B 351 -17.519 -7.736 5.367 1.00 0.00 H new ATOM 477 N GLU B 352 -17.752 -4.938 1.611 1.00 0.00 N ATOM 478 CA GLU B 352 -17.760 -5.154 0.172 1.00 0.00 C ATOM 479 C GLU B 352 -16.469 -4.589 -0.408 1.00 0.00 C ATOM 480 O GLU B 352 -15.785 -5.227 -1.218 1.00 0.00 O ATOM 481 CB GLU B 352 -18.947 -4.423 -0.474 1.00 0.00 C ATOM 482 CG GLU B 352 -20.348 -4.857 -0.032 1.00 0.00 C ATOM 483 CD GLU B 352 -20.471 -5.209 1.434 1.00 0.00 C ATOM 484 OE1 GLU B 352 -20.309 -4.303 2.281 1.00 0.00 O ATOM 485 OE2 GLU B 352 -20.712 -6.394 1.746 1.00 0.00 O ATOM 0 H GLU B 352 -18.527 -4.365 1.943 1.00 0.00 H new ATOM 0 HA GLU B 352 -17.846 -6.222 -0.030 1.00 0.00 H new ATOM 0 HB2 GLU B 352 -18.841 -3.357 -0.271 1.00 0.00 H new ATOM 0 HB3 GLU B 352 -18.877 -4.550 -1.554 1.00 0.00 H new ATOM 0 HG2 GLU B 352 -21.050 -4.054 -0.258 1.00 0.00 H new ATOM 0 HG3 GLU B 352 -20.649 -5.721 -0.625 1.00 0.00 H new ATOM 492 N GLN B 353 -16.147 -3.375 0.039 1.00 0.00 N ATOM 493 CA GLN B 353 -14.941 -2.684 -0.349 1.00 0.00 C ATOM 494 C GLN B 353 -13.739 -3.516 -0.022 1.00 0.00 C ATOM 495 O GLN B 353 -12.792 -3.549 -0.780 1.00 0.00 O ATOM 496 CB GLN B 353 -14.828 -1.331 0.355 1.00 0.00 C ATOM 497 CG GLN B 353 -15.881 -0.287 -0.004 1.00 0.00 C ATOM 498 CD GLN B 353 -16.605 -0.465 -1.332 1.00 0.00 C ATOM 499 OE1 GLN B 353 -16.693 -1.539 -1.920 1.00 0.00 O ATOM 500 NE2 GLN B 353 -17.199 0.606 -1.779 1.00 0.00 N ATOM 0 H GLN B 353 -16.730 -2.847 0.688 1.00 0.00 H new ATOM 0 HA GLN B 353 -14.987 -2.514 -1.425 1.00 0.00 H new ATOM 0 HB2 GLN B 353 -14.870 -1.502 1.431 1.00 0.00 H new ATOM 0 HB3 GLN B 353 -13.845 -0.914 0.136 1.00 0.00 H new ATOM 0 HG2 GLN B 353 -16.628 -0.272 0.790 1.00 0.00 H new ATOM 0 HG3 GLN B 353 -15.401 0.691 -0.008 1.00 0.00 H new ATOM 0 HE21 GLN B 353 -17.111 1.487 -1.273 1.00 0.00 H new ATOM 0 HE22 GLN B 353 -17.752 0.563 -2.635 1.00 0.00 H new ATOM 509 N LEU B 354 -13.775 -4.207 1.093 1.00 0.00 N ATOM 510 CA LEU B 354 -12.620 -4.944 1.502 1.00 0.00 C ATOM 511 C LEU B 354 -12.420 -6.222 0.726 1.00 0.00 C ATOM 512 O LEU B 354 -11.294 -6.644 0.510 1.00 0.00 O ATOM 513 CB LEU B 354 -12.650 -5.263 2.942 1.00 0.00 C ATOM 514 CG LEU B 354 -12.661 -4.064 3.819 1.00 0.00 C ATOM 515 CD1 LEU B 354 -13.568 -4.294 4.982 1.00 0.00 C ATOM 516 CD2 LEU B 354 -11.253 -3.772 4.267 1.00 0.00 C ATOM 0 H LEU B 354 -14.579 -4.270 1.718 1.00 0.00 H new ATOM 0 HA LEU B 354 -11.780 -4.282 1.290 1.00 0.00 H new ATOM 0 HB2 LEU B 354 -13.534 -5.865 3.153 1.00 0.00 H new ATOM 0 HB3 LEU B 354 -11.782 -5.874 3.188 1.00 0.00 H new ATOM 0 HG LEU B 354 -13.038 -3.200 3.272 1.00 0.00 H new ATOM 0 HD11 LEU B 354 -13.571 -3.411 5.621 1.00 0.00 H new ATOM 0 HD12 LEU B 354 -14.579 -4.486 4.623 1.00 0.00 H new ATOM 0 HD13 LEU B 354 -13.217 -5.154 5.553 1.00 0.00 H new ATOM 0 HD21 LEU B 354 -11.251 -2.893 4.912 1.00 0.00 H new ATOM 0 HD22 LEU B 354 -10.862 -4.627 4.818 1.00 0.00 H new ATOM 0 HD23 LEU B 354 -10.626 -3.584 3.396 1.00 0.00 H new ATOM 528 N LYS B 355 -13.484 -6.874 0.325 1.00 0.00 N ATOM 529 CA LYS B 355 -13.323 -8.058 -0.466 1.00 0.00 C ATOM 530 C LYS B 355 -12.628 -7.700 -1.770 1.00 0.00 C ATOM 531 O LYS B 355 -11.887 -8.487 -2.360 1.00 0.00 O ATOM 532 CB LYS B 355 -14.665 -8.702 -0.698 1.00 0.00 C ATOM 533 CG LYS B 355 -15.344 -9.013 0.609 1.00 0.00 C ATOM 534 CD LYS B 355 -14.558 -10.022 1.414 1.00 0.00 C ATOM 535 CE LYS B 355 -13.980 -9.401 2.677 1.00 0.00 C ATOM 536 NZ LYS B 355 -15.030 -8.819 3.559 1.00 0.00 N ATOM 0 H LYS B 355 -14.448 -6.609 0.530 1.00 0.00 H new ATOM 0 HA LYS B 355 -12.700 -8.782 0.059 1.00 0.00 H new ATOM 0 HB2 LYS B 355 -15.294 -8.038 -1.290 1.00 0.00 H new ATOM 0 HB3 LYS B 355 -14.538 -9.619 -1.274 1.00 0.00 H new ATOM 0 HG2 LYS B 355 -15.461 -8.096 1.187 1.00 0.00 H new ATOM 0 HG3 LYS B 355 -16.345 -9.399 0.417 1.00 0.00 H new ATOM 0 HD2 LYS B 355 -15.204 -10.858 1.682 1.00 0.00 H new ATOM 0 HD3 LYS B 355 -13.750 -10.426 0.804 1.00 0.00 H new ATOM 0 HE2 LYS B 355 -13.425 -10.159 3.230 1.00 0.00 H new ATOM 0 HE3 LYS B 355 -13.268 -8.622 2.402 1.00 0.00 H new ATOM 0 HZ1 LYS B 355 -14.651 -8.704 4.521 1.00 0.00 H new ATOM 0 HZ2 LYS B 355 -15.320 -7.892 3.188 1.00 0.00 H new ATOM 0 HZ3 LYS B 355 -15.853 -9.454 3.585 1.00 0.00 H new ATOM 550 N CYS B 356 -12.858 -6.462 -2.160 1.00 0.00 N ATOM 551 CA CYS B 356 -12.201 -5.850 -3.293 1.00 0.00 C ATOM 552 C CYS B 356 -10.810 -5.413 -2.894 1.00 0.00 C ATOM 553 O CYS B 356 -9.833 -5.855 -3.490 1.00 0.00 O ATOM 554 CB CYS B 356 -13.017 -4.663 -3.761 1.00 0.00 C ATOM 555 SG CYS B 356 -13.204 -4.555 -5.555 1.00 0.00 S ATOM 0 H CYS B 356 -13.519 -5.844 -1.689 1.00 0.00 H new ATOM 0 HA CYS B 356 -12.120 -6.568 -4.109 1.00 0.00 H new ATOM 0 HB2 CYS B 356 -14.006 -4.714 -3.306 1.00 0.00 H new ATOM 0 HB3 CYS B 356 -12.547 -3.748 -3.400 1.00 0.00 H new ATOM 0 HG CYS B 356 -13.918 -3.511 -5.855 1.00 0.00 H new ATOM 561 N CYS B 357 -10.740 -4.586 -1.850 1.00 0.00 N ATOM 562 CA CYS B 357 -9.484 -4.062 -1.331 1.00 0.00 C ATOM 563 C CYS B 357 -8.477 -5.186 -1.208 1.00 0.00 C ATOM 564 O CYS B 357 -7.329 -5.073 -1.621 1.00 0.00 O ATOM 565 CB CYS B 357 -9.697 -3.431 0.058 1.00 0.00 C ATOM 566 SG CYS B 357 -9.741 -4.572 1.436 1.00 0.00 S ATOM 0 H CYS B 357 -11.561 -4.261 -1.340 1.00 0.00 H new ATOM 0 HA CYS B 357 -9.115 -3.301 -2.019 1.00 0.00 H new ATOM 0 HB2 CYS B 357 -8.899 -2.709 0.234 1.00 0.00 H new ATOM 0 HB3 CYS B 357 -10.634 -2.874 0.043 1.00 0.00 H new ATOM 0 HG CYS B 357 -10.134 -5.740 1.020 1.00 0.00 H new ATOM 572 N SER B 358 -8.941 -6.294 -0.655 1.00 0.00 N ATOM 573 CA SER B 358 -8.076 -7.421 -0.414 1.00 0.00 C ATOM 574 C SER B 358 -7.567 -7.986 -1.717 1.00 0.00 C ATOM 575 O SER B 358 -6.368 -8.030 -1.926 1.00 0.00 O ATOM 576 CB SER B 358 -8.791 -8.522 0.364 1.00 0.00 C ATOM 577 OG SER B 358 -9.341 -8.029 1.574 1.00 0.00 O ATOM 0 H SER B 358 -9.910 -6.431 -0.368 1.00 0.00 H new ATOM 0 HA SER B 358 -7.238 -7.061 0.183 1.00 0.00 H new ATOM 0 HB2 SER B 358 -9.584 -8.947 -0.251 1.00 0.00 H new ATOM 0 HB3 SER B 358 -8.091 -9.328 0.583 1.00 0.00 H new ATOM 0 HG SER B 358 -10.255 -7.713 1.413 1.00 0.00 H new ATOM 583 N GLY B 359 -8.487 -8.393 -2.594 1.00 0.00 N ATOM 584 CA GLY B 359 -8.099 -8.950 -3.879 1.00 0.00 C ATOM 585 C GLY B 359 -7.170 -8.030 -4.640 1.00 0.00 C ATOM 586 O GLY B 359 -6.416 -8.465 -5.501 1.00 0.00 O ATOM 0 H GLY B 359 -9.493 -8.346 -2.435 1.00 0.00 H new ATOM 0 HA2 GLY B 359 -7.610 -9.912 -3.724 1.00 0.00 H new ATOM 0 HA3 GLY B 359 -8.991 -9.139 -4.476 1.00 0.00 H new ATOM 590 N ILE B 360 -7.248 -6.754 -4.311 1.00 0.00 N ATOM 591 CA ILE B 360 -6.376 -5.736 -4.836 1.00 0.00 C ATOM 592 C ILE B 360 -4.939 -5.848 -4.294 1.00 0.00 C ATOM 593 O ILE B 360 -3.994 -5.997 -5.066 1.00 0.00 O ATOM 594 CB ILE B 360 -6.987 -4.392 -4.492 1.00 0.00 C ATOM 595 CG1 ILE B 360 -8.299 -4.213 -5.234 1.00 0.00 C ATOM 596 CG2 ILE B 360 -6.037 -3.263 -4.768 1.00 0.00 C ATOM 597 CD1 ILE B 360 -8.870 -2.857 -5.005 1.00 0.00 C ATOM 0 H ILE B 360 -7.940 -6.394 -3.654 1.00 0.00 H new ATOM 0 HA ILE B 360 -6.289 -5.858 -5.916 1.00 0.00 H new ATOM 0 HB ILE B 360 -7.191 -4.372 -3.421 1.00 0.00 H new ATOM 0 HG12 ILE B 360 -8.140 -4.367 -6.301 1.00 0.00 H new ATOM 0 HG13 ILE B 360 -9.011 -4.970 -4.905 1.00 0.00 H new ATOM 0 HG21 ILE B 360 -6.512 -2.317 -4.509 1.00 0.00 H new ATOM 0 HG22 ILE B 360 -5.135 -3.392 -4.170 1.00 0.00 H new ATOM 0 HG23 ILE B 360 -5.774 -3.259 -5.826 1.00 0.00 H new ATOM 0 HD11 ILE B 360 -9.809 -2.761 -5.550 1.00 0.00 H new ATOM 0 HD12 ILE B 360 -9.052 -2.714 -3.940 1.00 0.00 H new ATOM 0 HD13 ILE B 360 -8.167 -2.102 -5.357 1.00 0.00 H new ATOM 609 N LEU B 361 -4.781 -5.762 -2.975 1.00 0.00 N ATOM 610 CA LEU B 361 -3.478 -6.009 -2.321 1.00 0.00 C ATOM 611 C LEU B 361 -2.990 -7.376 -2.666 1.00 0.00 C ATOM 612 O LEU B 361 -1.898 -7.546 -3.172 1.00 0.00 O ATOM 613 CB LEU B 361 -3.635 -5.994 -0.824 1.00 0.00 C ATOM 614 CG LEU B 361 -2.811 -4.984 -0.072 1.00 0.00 C ATOM 615 CD1 LEU B 361 -2.860 -5.347 1.378 1.00 0.00 C ATOM 616 CD2 LEU B 361 -1.400 -5.003 -0.520 1.00 0.00 C ATOM 0 H LEU B 361 -5.534 -5.524 -2.329 1.00 0.00 H new ATOM 0 HA LEU B 361 -2.788 -5.235 -2.657 1.00 0.00 H new ATOM 0 HB2 LEU B 361 -4.685 -5.817 -0.593 1.00 0.00 H new ATOM 0 HB3 LEU B 361 -3.388 -6.986 -0.445 1.00 0.00 H new ATOM 0 HG LEU B 361 -3.212 -3.987 -0.252 1.00 0.00 H new ATOM 0 HD11 LEU B 361 -2.271 -4.632 1.952 1.00 0.00 H new ATOM 0 HD12 LEU B 361 -3.894 -5.326 1.724 1.00 0.00 H new ATOM 0 HD13 LEU B 361 -2.452 -6.348 1.516 1.00 0.00 H new ATOM 0 HD21 LEU B 361 -0.830 -4.263 0.041 1.00 0.00 H new ATOM 0 HD22 LEU B 361 -0.977 -5.993 -0.349 1.00 0.00 H new ATOM 0 HD23 LEU B 361 -1.353 -4.767 -1.583 1.00 0.00 H new ATOM 628 N LYS B 362 -3.802 -8.337 -2.293 1.00 0.00 N ATOM 629 CA LYS B 362 -3.623 -9.731 -2.679 1.00 0.00 C ATOM 630 C LYS B 362 -3.179 -9.868 -4.141 1.00 0.00 C ATOM 631 O LYS B 362 -2.462 -10.799 -4.497 1.00 0.00 O ATOM 632 CB LYS B 362 -4.928 -10.489 -2.490 1.00 0.00 C ATOM 633 CG LYS B 362 -5.160 -11.002 -1.095 1.00 0.00 C ATOM 634 CD LYS B 362 -4.826 -9.989 -0.034 1.00 0.00 C ATOM 635 CE LYS B 362 -5.467 -10.398 1.265 1.00 0.00 C ATOM 636 NZ LYS B 362 -4.890 -11.664 1.811 1.00 0.00 N ATOM 0 H LYS B 362 -4.620 -8.178 -1.704 1.00 0.00 H new ATOM 0 HA LYS B 362 -2.842 -10.147 -2.042 1.00 0.00 H new ATOM 0 HB2 LYS B 362 -5.756 -9.835 -2.764 1.00 0.00 H new ATOM 0 HB3 LYS B 362 -4.946 -11.332 -3.180 1.00 0.00 H new ATOM 0 HG2 LYS B 362 -6.204 -11.298 -0.991 1.00 0.00 H new ATOM 0 HG3 LYS B 362 -4.558 -11.897 -0.938 1.00 0.00 H new ATOM 0 HD2 LYS B 362 -3.745 -9.916 0.088 1.00 0.00 H new ATOM 0 HD3 LYS B 362 -5.180 -9.002 -0.333 1.00 0.00 H new ATOM 0 HE2 LYS B 362 -5.341 -9.600 1.996 1.00 0.00 H new ATOM 0 HE3 LYS B 362 -6.539 -10.526 1.114 1.00 0.00 H new ATOM 0 HZ1 LYS B 362 -4.854 -11.610 2.849 1.00 0.00 H new ATOM 0 HZ2 LYS B 362 -5.486 -12.468 1.527 1.00 0.00 H new ATOM 0 HZ3 LYS B 362 -3.928 -11.797 1.438 1.00 0.00 H new ATOM 650 N GLU B 363 -3.640 -8.952 -4.988 1.00 0.00 N ATOM 651 CA GLU B 363 -3.208 -8.910 -6.375 1.00 0.00 C ATOM 652 C GLU B 363 -1.796 -8.378 -6.493 1.00 0.00 C ATOM 653 O GLU B 363 -0.992 -8.970 -7.160 1.00 0.00 O ATOM 654 CB GLU B 363 -4.114 -8.064 -7.249 1.00 0.00 C ATOM 655 CG GLU B 363 -3.611 -7.986 -8.676 1.00 0.00 C ATOM 656 CD GLU B 363 -3.756 -9.291 -9.429 1.00 0.00 C ATOM 657 OE1 GLU B 363 -4.639 -10.100 -9.078 1.00 0.00 O ATOM 658 OE2 GLU B 363 -2.997 -9.499 -10.392 1.00 0.00 O ATOM 0 H GLU B 363 -4.314 -8.229 -4.734 1.00 0.00 H new ATOM 0 HA GLU B 363 -3.253 -9.941 -6.726 1.00 0.00 H new ATOM 0 HB2 GLU B 363 -5.120 -8.483 -7.241 1.00 0.00 H new ATOM 0 HB3 GLU B 363 -4.184 -7.059 -6.833 1.00 0.00 H new ATOM 0 HG2 GLU B 363 -4.157 -7.205 -9.205 1.00 0.00 H new ATOM 0 HG3 GLU B 363 -2.561 -7.692 -8.669 1.00 0.00 H new ATOM 665 N MET B 364 -1.474 -7.256 -5.876 1.00 0.00 N ATOM 666 CA MET B 364 -0.083 -6.814 -5.892 1.00 0.00 C ATOM 667 C MET B 364 0.757 -7.909 -5.242 1.00 0.00 C ATOM 668 O MET B 364 1.876 -8.184 -5.646 1.00 0.00 O ATOM 669 CB MET B 364 0.104 -5.437 -5.227 1.00 0.00 C ATOM 670 CG MET B 364 -1.186 -4.807 -4.787 1.00 0.00 C ATOM 671 SD MET B 364 -1.118 -3.017 -4.838 1.00 0.00 S ATOM 672 CE MET B 364 -0.806 -2.630 -3.126 1.00 0.00 C ATOM 0 H MET B 364 -2.124 -6.651 -5.374 1.00 0.00 H new ATOM 0 HA MET B 364 0.249 -6.664 -6.919 1.00 0.00 H new ATOM 0 HB2 MET B 364 0.760 -5.545 -4.363 1.00 0.00 H new ATOM 0 HB3 MET B 364 0.606 -4.769 -5.927 1.00 0.00 H new ATOM 0 HG2 MET B 364 -1.996 -5.156 -5.427 1.00 0.00 H new ATOM 0 HG3 MET B 364 -1.419 -5.131 -3.773 1.00 0.00 H new ATOM 0 HE1 MET B 364 -0.218 -1.714 -3.061 1.00 0.00 H new ATOM 0 HE2 MET B 364 -1.754 -2.490 -2.606 1.00 0.00 H new ATOM 0 HE3 MET B 364 -0.255 -3.448 -2.663 1.00 0.00 H new ATOM 682 N PHE B 365 0.139 -8.595 -4.294 1.00 0.00 N ATOM 683 CA PHE B 365 0.721 -9.752 -3.639 1.00 0.00 C ATOM 684 C PHE B 365 0.872 -10.925 -4.618 1.00 0.00 C ATOM 685 O PHE B 365 1.527 -11.924 -4.315 1.00 0.00 O ATOM 686 CB PHE B 365 -0.197 -10.223 -2.519 1.00 0.00 C ATOM 687 CG PHE B 365 0.269 -9.977 -1.132 1.00 0.00 C ATOM 688 CD1 PHE B 365 1.163 -10.830 -0.517 1.00 0.00 C ATOM 689 CD2 PHE B 365 -0.230 -8.919 -0.431 1.00 0.00 C ATOM 690 CE1 PHE B 365 1.556 -10.608 0.785 1.00 0.00 C ATOM 691 CE2 PHE B 365 0.147 -8.692 0.857 1.00 0.00 C ATOM 692 CZ PHE B 365 1.045 -9.533 1.475 1.00 0.00 C ATOM 0 H PHE B 365 -0.793 -8.359 -3.954 1.00 0.00 H new ATOM 0 HA PHE B 365 1.698 -9.454 -3.258 1.00 0.00 H new ATOM 0 HB2 PHE B 365 -1.165 -9.738 -2.645 1.00 0.00 H new ATOM 0 HB3 PHE B 365 -0.360 -11.294 -2.639 1.00 0.00 H new ATOM 0 HD1 PHE B 365 1.557 -11.677 -1.060 1.00 0.00 H new ATOM 0 HD2 PHE B 365 -0.935 -8.252 -0.905 1.00 0.00 H new ATOM 0 HE1 PHE B 365 2.261 -11.274 1.261 1.00 0.00 H new ATOM 0 HE2 PHE B 365 -0.260 -7.849 1.396 1.00 0.00 H new ATOM 0 HZ PHE B 365 1.347 -9.350 2.496 1.00 0.00 H new ATOM 702 N ALA B 366 0.182 -10.828 -5.751 1.00 0.00 N ATOM 703 CA ALA B 366 0.238 -11.848 -6.794 1.00 0.00 C ATOM 704 C ALA B 366 1.656 -12.025 -7.274 1.00 0.00 C ATOM 705 O ALA B 366 2.419 -11.070 -7.296 1.00 0.00 O ATOM 706 CB ALA B 366 -0.677 -11.511 -7.969 1.00 0.00 C ATOM 0 H ALA B 366 -0.430 -10.042 -5.972 1.00 0.00 H new ATOM 0 HA ALA B 366 -0.115 -12.783 -6.359 1.00 0.00 H new ATOM 0 HB1 ALA B 366 -0.605 -12.295 -8.723 1.00 0.00 H new ATOM 0 HB2 ALA B 366 -1.707 -11.437 -7.619 1.00 0.00 H new ATOM 0 HB3 ALA B 366 -0.373 -10.560 -8.406 1.00 0.00 H new ATOM 712 N LYS B 367 2.006 -13.248 -7.660 1.00 0.00 N ATOM 713 CA LYS B 367 3.321 -13.527 -8.223 1.00 0.00 C ATOM 714 C LYS B 367 3.545 -12.609 -9.419 1.00 0.00 C ATOM 715 O LYS B 367 4.672 -12.233 -9.751 1.00 0.00 O ATOM 716 CB LYS B 367 3.415 -14.990 -8.646 1.00 0.00 C ATOM 717 CG LYS B 367 4.833 -15.504 -8.727 1.00 0.00 C ATOM 718 CD LYS B 367 5.449 -15.662 -7.344 1.00 0.00 C ATOM 719 CE LYS B 367 6.842 -16.268 -7.414 1.00 0.00 C ATOM 720 NZ LYS B 367 7.786 -15.418 -8.188 1.00 0.00 N ATOM 0 H LYS B 367 1.396 -14.062 -7.593 1.00 0.00 H new ATOM 0 HA LYS B 367 4.091 -13.344 -7.473 1.00 0.00 H new ATOM 0 HB2 LYS B 367 2.855 -15.601 -7.938 1.00 0.00 H new ATOM 0 HB3 LYS B 367 2.937 -15.110 -9.618 1.00 0.00 H new ATOM 0 HG2 LYS B 367 4.844 -16.464 -9.243 1.00 0.00 H new ATOM 0 HG3 LYS B 367 5.437 -14.817 -9.319 1.00 0.00 H new ATOM 0 HD2 LYS B 367 5.500 -14.689 -6.855 1.00 0.00 H new ATOM 0 HD3 LYS B 367 4.808 -16.294 -6.730 1.00 0.00 H new ATOM 0 HE2 LYS B 367 7.227 -16.408 -6.404 1.00 0.00 H new ATOM 0 HE3 LYS B 367 6.784 -17.255 -7.873 1.00 0.00 H new ATOM 0 HZ1 LYS B 367 8.750 -15.798 -8.097 1.00 0.00 H new ATOM 0 HZ2 LYS B 367 7.509 -15.415 -9.190 1.00 0.00 H new ATOM 0 HZ3 LYS B 367 7.760 -14.446 -7.819 1.00 0.00 H new ATOM 734 N LYS B 368 2.427 -12.257 -10.041 1.00 0.00 N ATOM 735 CA LYS B 368 2.359 -11.243 -11.074 1.00 0.00 C ATOM 736 C LYS B 368 3.044 -9.936 -10.621 1.00 0.00 C ATOM 737 O LYS B 368 3.883 -9.400 -11.345 1.00 0.00 O ATOM 738 CB LYS B 368 0.879 -11.052 -11.422 1.00 0.00 C ATOM 739 CG LYS B 368 0.332 -9.671 -11.224 1.00 0.00 C ATOM 740 CD LYS B 368 0.898 -8.653 -12.203 1.00 0.00 C ATOM 741 CE LYS B 368 0.522 -8.985 -13.616 1.00 0.00 C ATOM 742 NZ LYS B 368 0.955 -7.941 -14.580 1.00 0.00 N ATOM 0 H LYS B 368 1.523 -12.682 -9.833 1.00 0.00 H new ATOM 0 HA LYS B 368 2.903 -11.554 -11.966 1.00 0.00 H new ATOM 0 HB2 LYS B 368 0.732 -11.334 -12.465 1.00 0.00 H new ATOM 0 HB3 LYS B 368 0.292 -11.744 -10.819 1.00 0.00 H new ATOM 0 HG2 LYS B 368 -0.753 -9.699 -11.327 1.00 0.00 H new ATOM 0 HG3 LYS B 368 0.547 -9.345 -10.206 1.00 0.00 H new ATOM 0 HD2 LYS B 368 0.529 -7.659 -11.951 1.00 0.00 H new ATOM 0 HD3 LYS B 368 1.984 -8.622 -12.111 1.00 0.00 H new ATOM 0 HE2 LYS B 368 0.970 -9.939 -13.893 1.00 0.00 H new ATOM 0 HE3 LYS B 368 -0.559 -9.109 -13.681 1.00 0.00 H new ATOM 0 HZ1 LYS B 368 0.672 -8.218 -15.542 1.00 0.00 H new ATOM 0 HZ2 LYS B 368 0.508 -7.035 -14.334 1.00 0.00 H new ATOM 0 HZ3 LYS B 368 1.989 -7.839 -14.540 1.00 0.00 H new ATOM 756 N HIS B 369 2.725 -9.440 -9.416 1.00 0.00 N ATOM 757 CA HIS B 369 3.304 -8.176 -8.954 1.00 0.00 C ATOM 758 C HIS B 369 4.399 -8.423 -7.942 1.00 0.00 C ATOM 759 O HIS B 369 5.093 -7.503 -7.557 1.00 0.00 O ATOM 760 CB HIS B 369 2.262 -7.183 -8.387 1.00 0.00 C ATOM 761 CG HIS B 369 1.074 -6.939 -9.255 1.00 0.00 C ATOM 762 ND1 HIS B 369 1.039 -6.026 -10.281 1.00 0.00 N ATOM 763 CD2 HIS B 369 -0.142 -7.503 -9.227 1.00 0.00 C ATOM 764 CE1 HIS B 369 -0.155 -6.049 -10.836 1.00 0.00 C ATOM 765 NE2 HIS B 369 -0.891 -6.934 -10.212 1.00 0.00 N ATOM 0 H HIS B 369 2.084 -9.885 -8.759 1.00 0.00 H new ATOM 0 HA HIS B 369 3.727 -7.703 -9.840 1.00 0.00 H new ATOM 0 HB2 HIS B 369 1.916 -7.556 -7.423 1.00 0.00 H new ATOM 0 HB3 HIS B 369 2.757 -6.230 -8.201 1.00 0.00 H new ATOM 0 HD2 HIS B 369 -0.470 -8.273 -8.544 1.00 0.00 H new ATOM 0 HE1 HIS B 369 -0.474 -5.439 -11.668 1.00 0.00 H new ATOM 0 HE2 HIS B 369 -1.862 -7.159 -10.427 1.00 0.00 H new ATOM 774 N ALA B 370 4.598 -9.674 -7.561 1.00 0.00 N ATOM 775 CA ALA B 370 5.621 -10.027 -6.584 1.00 0.00 C ATOM 776 C ALA B 370 7.012 -9.868 -7.142 1.00 0.00 C ATOM 777 O ALA B 370 7.988 -10.199 -6.486 1.00 0.00 O ATOM 778 CB ALA B 370 5.455 -11.441 -6.097 1.00 0.00 C ATOM 0 H ALA B 370 4.063 -10.467 -7.914 1.00 0.00 H new ATOM 0 HA ALA B 370 5.492 -9.338 -5.750 1.00 0.00 H new ATOM 0 HB1 ALA B 370 6.235 -11.669 -5.370 1.00 0.00 H new ATOM 0 HB2 ALA B 370 4.478 -11.552 -5.627 1.00 0.00 H new ATOM 0 HB3 ALA B 370 5.532 -12.128 -6.940 1.00 0.00 H new ATOM 784 N ALA B 371 7.095 -9.427 -8.369 1.00 0.00 N ATOM 785 CA ALA B 371 8.353 -9.018 -8.927 1.00 0.00 C ATOM 786 C ALA B 371 8.756 -7.686 -8.314 1.00 0.00 C ATOM 787 O ALA B 371 9.922 -7.293 -8.359 1.00 0.00 O ATOM 788 CB ALA B 371 8.207 -8.876 -10.421 1.00 0.00 C ATOM 0 H ALA B 371 6.301 -9.342 -9.003 1.00 0.00 H new ATOM 0 HA ALA B 371 9.121 -9.761 -8.711 1.00 0.00 H new ATOM 0 HB1 ALA B 371 9.159 -8.565 -10.852 1.00 0.00 H new ATOM 0 HB2 ALA B 371 7.909 -9.833 -10.850 1.00 0.00 H new ATOM 0 HB3 ALA B 371 7.447 -8.127 -10.643 1.00 0.00 H new ATOM 794 N TYR B 372 7.770 -6.991 -7.741 1.00 0.00 N ATOM 795 CA TYR B 372 7.979 -5.633 -7.268 1.00 0.00 C ATOM 796 C TYR B 372 7.074 -5.242 -6.103 1.00 0.00 C ATOM 797 O TYR B 372 7.191 -4.158 -5.555 1.00 0.00 O ATOM 798 CB TYR B 372 7.772 -4.697 -8.428 1.00 0.00 C ATOM 799 CG TYR B 372 6.594 -5.054 -9.273 1.00 0.00 C ATOM 800 CD1 TYR B 372 5.359 -4.535 -8.985 1.00 0.00 C ATOM 801 CD2 TYR B 372 6.729 -5.872 -10.387 1.00 0.00 C ATOM 802 CE1 TYR B 372 4.279 -4.813 -9.779 1.00 0.00 C ATOM 803 CE2 TYR B 372 5.650 -6.167 -11.186 1.00 0.00 C ATOM 804 CZ TYR B 372 4.425 -5.632 -10.881 1.00 0.00 C ATOM 805 OH TYR B 372 3.345 -5.917 -11.679 1.00 0.00 O ATOM 0 H TYR B 372 6.826 -7.350 -7.597 1.00 0.00 H new ATOM 0 HA TYR B 372 8.996 -5.567 -6.881 1.00 0.00 H new ATOM 0 HB2 TYR B 372 7.644 -3.683 -8.049 1.00 0.00 H new ATOM 0 HB3 TYR B 372 8.668 -4.695 -9.049 1.00 0.00 H new ATOM 0 HD1 TYR B 372 5.236 -3.899 -8.121 1.00 0.00 H new ATOM 0 HD2 TYR B 372 7.698 -6.283 -10.630 1.00 0.00 H new ATOM 0 HE1 TYR B 372 3.313 -4.392 -9.543 1.00 0.00 H new ATOM 0 HE2 TYR B 372 5.766 -6.813 -12.044 1.00 0.00 H new ATOM 0 HH TYR B 372 2.606 -6.243 -11.125 1.00 0.00 H new ATOM 815 N ALA B 373 6.179 -6.121 -5.735 1.00 0.00 N ATOM 816 CA ALA B 373 5.290 -5.898 -4.615 1.00 0.00 C ATOM 817 C ALA B 373 5.896 -6.417 -3.387 1.00 0.00 C ATOM 818 O ALA B 373 5.665 -5.950 -2.288 1.00 0.00 O ATOM 819 CB ALA B 373 4.064 -6.697 -4.794 1.00 0.00 C ATOM 0 H ALA B 373 6.042 -7.017 -6.203 1.00 0.00 H new ATOM 0 HA ALA B 373 5.090 -4.828 -4.557 1.00 0.00 H new ATOM 0 HB1 ALA B 373 3.394 -6.529 -3.951 1.00 0.00 H new ATOM 0 HB2 ALA B 373 3.567 -6.399 -5.717 1.00 0.00 H new ATOM 0 HB3 ALA B 373 4.323 -7.754 -4.847 1.00 0.00 H new ATOM 825 N TRP B 374 6.603 -7.474 -3.622 1.00 0.00 N ATOM 826 CA TRP B 374 7.142 -8.294 -2.595 1.00 0.00 C ATOM 827 C TRP B 374 7.841 -7.493 -1.469 1.00 0.00 C ATOM 828 O TRP B 374 7.693 -7.877 -0.319 1.00 0.00 O ATOM 829 CB TRP B 374 8.045 -9.343 -3.240 1.00 0.00 C ATOM 830 CG TRP B 374 9.305 -8.756 -3.794 1.00 0.00 C ATOM 831 CD1 TRP B 374 9.564 -8.443 -5.090 1.00 0.00 C ATOM 832 CD2 TRP B 374 10.439 -8.329 -3.046 1.00 0.00 C ATOM 833 NE1 TRP B 374 10.801 -7.859 -5.199 1.00 0.00 N ATOM 834 CE2 TRP B 374 11.359 -7.772 -3.947 1.00 0.00 C ATOM 835 CE3 TRP B 374 10.750 -8.368 -1.694 1.00 0.00 C ATOM 836 CZ2 TRP B 374 12.578 -7.244 -3.522 1.00 0.00 C ATOM 837 CZ3 TRP B 374 11.935 -7.843 -1.272 1.00 0.00 C ATOM 838 CH2 TRP B 374 12.843 -7.283 -2.175 1.00 0.00 C ATOM 0 H TRP B 374 6.826 -7.797 -4.563 1.00 0.00 H new ATOM 0 HA TRP B 374 6.324 -8.797 -2.079 1.00 0.00 H new ATOM 0 HB2 TRP B 374 8.297 -10.104 -2.501 1.00 0.00 H new ATOM 0 HB3 TRP B 374 7.500 -9.844 -4.040 1.00 0.00 H new ATOM 0 HD1 TRP B 374 8.893 -8.627 -5.916 1.00 0.00 H new ATOM 0 HE1 TRP B 374 11.234 -7.542 -6.066 1.00 0.00 H new ATOM 0 HE3 TRP B 374 10.063 -8.808 -0.986 1.00 0.00 H new ATOM 0 HZ2 TRP B 374 13.284 -6.822 -4.223 1.00 0.00 H new ATOM 0 HZ3 TRP B 374 12.177 -7.860 -0.220 1.00 0.00 H new ATOM 0 HH2 TRP B 374 13.771 -6.873 -1.806 1.00 0.00 H new ATOM 849 N PRO B 375 8.582 -6.351 -1.732 1.00 0.00 N ATOM 850 CA PRO B 375 9.227 -5.606 -0.649 1.00 0.00 C ATOM 851 C PRO B 375 8.222 -4.770 0.081 1.00 0.00 C ATOM 852 O PRO B 375 8.534 -4.092 1.051 1.00 0.00 O ATOM 853 CB PRO B 375 10.228 -4.709 -1.354 1.00 0.00 C ATOM 854 CG PRO B 375 9.621 -4.446 -2.683 1.00 0.00 C ATOM 855 CD PRO B 375 8.839 -5.689 -3.042 1.00 0.00 C ATOM 0 HA PRO B 375 9.691 -6.263 0.086 1.00 0.00 H new ATOM 0 HB2 PRO B 375 10.389 -3.783 -0.801 1.00 0.00 H new ATOM 0 HB3 PRO B 375 11.198 -5.196 -1.450 1.00 0.00 H new ATOM 0 HG2 PRO B 375 8.970 -3.573 -2.648 1.00 0.00 H new ATOM 0 HG3 PRO B 375 10.389 -4.241 -3.428 1.00 0.00 H new ATOM 0 HD2 PRO B 375 7.908 -5.440 -3.552 1.00 0.00 H new ATOM 0 HD3 PRO B 375 9.406 -6.337 -3.711 1.00 0.00 H new ATOM 863 N PHE B 376 7.015 -4.812 -0.426 1.00 0.00 N ATOM 864 CA PHE B 376 5.927 -4.116 0.193 1.00 0.00 C ATOM 865 C PHE B 376 5.153 -5.062 1.076 1.00 0.00 C ATOM 866 O PHE B 376 4.734 -4.635 2.121 1.00 0.00 O ATOM 867 CB PHE B 376 5.034 -3.413 -0.833 1.00 0.00 C ATOM 868 CG PHE B 376 5.817 -2.436 -1.657 1.00 0.00 C ATOM 869 CD1 PHE B 376 6.590 -2.874 -2.714 1.00 0.00 C ATOM 870 CD2 PHE B 376 5.836 -1.092 -1.331 1.00 0.00 C ATOM 871 CE1 PHE B 376 7.355 -1.994 -3.443 1.00 0.00 C ATOM 872 CE2 PHE B 376 6.619 -0.202 -2.058 1.00 0.00 C ATOM 873 CZ PHE B 376 7.372 -0.660 -3.114 1.00 0.00 C ATOM 0 H PHE B 376 6.766 -5.326 -1.271 1.00 0.00 H new ATOM 0 HA PHE B 376 6.335 -3.323 0.819 1.00 0.00 H new ATOM 0 HB2 PHE B 376 4.572 -4.154 -1.485 1.00 0.00 H new ATOM 0 HB3 PHE B 376 4.226 -2.893 -0.319 1.00 0.00 H new ATOM 0 HD1 PHE B 376 6.594 -3.923 -2.972 1.00 0.00 H new ATOM 0 HD2 PHE B 376 5.239 -0.731 -0.506 1.00 0.00 H new ATOM 0 HE1 PHE B 376 7.943 -2.352 -4.275 1.00 0.00 H new ATOM 0 HE2 PHE B 376 6.636 0.845 -1.794 1.00 0.00 H new ATOM 0 HZ PHE B 376 7.977 0.029 -3.685 1.00 0.00 H new ATOM 883 N TYR B 377 5.002 -6.361 0.698 1.00 0.00 N ATOM 884 CA TYR B 377 4.294 -7.311 1.590 1.00 0.00 C ATOM 885 C TYR B 377 4.882 -7.175 2.960 1.00 0.00 C ATOM 886 O TYR B 377 4.210 -6.910 3.937 1.00 0.00 O ATOM 887 CB TYR B 377 4.460 -8.800 1.231 1.00 0.00 C ATOM 888 CG TYR B 377 4.336 -9.235 -0.203 1.00 0.00 C ATOM 889 CD1 TYR B 377 3.990 -8.370 -1.203 1.00 0.00 C ATOM 890 CD2 TYR B 377 4.504 -10.577 -0.526 1.00 0.00 C ATOM 891 CE1 TYR B 377 3.808 -8.805 -2.482 1.00 0.00 C ATOM 892 CE2 TYR B 377 4.342 -11.021 -1.815 1.00 0.00 C ATOM 893 CZ TYR B 377 3.987 -10.124 -2.786 1.00 0.00 C ATOM 894 OH TYR B 377 3.789 -10.543 -4.064 1.00 0.00 O ATOM 0 H TYR B 377 5.344 -6.758 -0.177 1.00 0.00 H new ATOM 0 HA TYR B 377 3.238 -7.057 1.503 1.00 0.00 H new ATOM 0 HB2 TYR B 377 5.443 -9.113 1.583 1.00 0.00 H new ATOM 0 HB3 TYR B 377 3.722 -9.359 1.807 1.00 0.00 H new ATOM 0 HD1 TYR B 377 3.858 -7.322 -0.976 1.00 0.00 H new ATOM 0 HD2 TYR B 377 4.766 -11.281 0.250 1.00 0.00 H new ATOM 0 HE1 TYR B 377 3.522 -8.107 -3.255 1.00 0.00 H new ATOM 0 HE2 TYR B 377 4.492 -12.062 -2.059 1.00 0.00 H new ATOM 0 HH TYR B 377 3.204 -11.329 -4.064 1.00 0.00 H new ATOM 904 N LYS B 378 6.165 -7.222 2.980 1.00 0.00 N ATOM 905 CA LYS B 378 6.886 -7.162 4.203 1.00 0.00 C ATOM 906 C LYS B 378 7.492 -5.785 4.402 1.00 0.00 C ATOM 907 O LYS B 378 7.588 -4.987 3.477 1.00 0.00 O ATOM 908 CB LYS B 378 7.920 -8.264 4.237 1.00 0.00 C ATOM 909 CG LYS B 378 8.316 -8.743 2.889 1.00 0.00 C ATOM 910 CD LYS B 378 9.064 -7.668 2.145 1.00 0.00 C ATOM 911 CE LYS B 378 10.570 -7.693 2.382 1.00 0.00 C ATOM 912 NZ LYS B 378 11.151 -9.051 2.232 1.00 0.00 N ATOM 0 H LYS B 378 6.748 -7.303 2.147 1.00 0.00 H new ATOM 0 HA LYS B 378 6.205 -7.323 5.039 1.00 0.00 H new ATOM 0 HB2 LYS B 378 8.806 -7.905 4.761 1.00 0.00 H new ATOM 0 HB3 LYS B 378 7.527 -9.103 4.812 1.00 0.00 H new ATOM 0 HG2 LYS B 378 8.941 -9.631 2.981 1.00 0.00 H new ATOM 0 HG3 LYS B 378 7.430 -9.034 2.325 1.00 0.00 H new ATOM 0 HD2 LYS B 378 8.871 -7.776 1.078 1.00 0.00 H new ATOM 0 HD3 LYS B 378 8.674 -6.694 2.442 1.00 0.00 H new ATOM 0 HE2 LYS B 378 11.055 -7.015 1.680 1.00 0.00 H new ATOM 0 HE3 LYS B 378 10.782 -7.320 3.384 1.00 0.00 H new ATOM 0 HZ1 LYS B 378 12.157 -8.972 1.981 1.00 0.00 H new ATOM 0 HZ2 LYS B 378 11.057 -9.570 3.128 1.00 0.00 H new ATOM 0 HZ3 LYS B 378 10.646 -9.564 1.481 1.00 0.00 H new ATOM 926 N PRO B 379 7.907 -5.519 5.624 1.00 0.00 N ATOM 927 CA PRO B 379 8.353 -4.201 6.071 1.00 0.00 C ATOM 928 C PRO B 379 9.693 -3.803 5.475 1.00 0.00 C ATOM 929 O PRO B 379 10.568 -4.652 5.285 1.00 0.00 O ATOM 930 CB PRO B 379 8.487 -4.373 7.592 1.00 0.00 C ATOM 931 CG PRO B 379 7.839 -5.686 7.907 1.00 0.00 C ATOM 932 CD PRO B 379 8.000 -6.513 6.675 1.00 0.00 C ATOM 0 HA PRO B 379 7.660 -3.416 5.766 1.00 0.00 H new ATOM 0 HB2 PRO B 379 9.534 -4.369 7.896 1.00 0.00 H new ATOM 0 HB3 PRO B 379 7.998 -3.557 8.123 1.00 0.00 H new ATOM 0 HG2 PRO B 379 8.313 -6.163 8.765 1.00 0.00 H new ATOM 0 HG3 PRO B 379 6.786 -5.555 8.157 1.00 0.00 H new ATOM 0 HD2 PRO B 379 8.956 -7.035 6.658 1.00 0.00 H new ATOM 0 HD3 PRO B 379 7.221 -7.271 6.589 1.00 0.00 H new ATOM 940 N VAL B 380 9.838 -2.504 5.187 1.00 0.00 N ATOM 941 CA VAL B 380 11.105 -1.941 4.709 1.00 0.00 C ATOM 942 C VAL B 380 12.235 -2.413 5.600 1.00 0.00 C ATOM 943 O VAL B 380 12.281 -2.121 6.799 1.00 0.00 O ATOM 944 CB VAL B 380 11.074 -0.395 4.617 1.00 0.00 C ATOM 945 CG1 VAL B 380 9.967 0.186 5.480 1.00 0.00 C ATOM 946 CG2 VAL B 380 12.414 0.215 4.996 1.00 0.00 C ATOM 0 H VAL B 380 9.087 -1.819 5.278 1.00 0.00 H new ATOM 0 HA VAL B 380 11.269 -2.300 3.693 1.00 0.00 H new ATOM 0 HB VAL B 380 10.869 -0.141 3.577 1.00 0.00 H new ATOM 0 HG11 VAL B 380 9.971 1.273 5.394 1.00 0.00 H new ATOM 0 HG12 VAL B 380 9.004 -0.201 5.146 1.00 0.00 H new ATOM 0 HG13 VAL B 380 10.130 -0.096 6.520 1.00 0.00 H new ATOM 0 HG21 VAL B 380 12.354 1.301 4.920 1.00 0.00 H new ATOM 0 HG22 VAL B 380 12.664 -0.064 6.020 1.00 0.00 H new ATOM 0 HG23 VAL B 380 13.186 -0.154 4.321 1.00 0.00 H new ATOM 956 N ASP B 381 13.126 -3.177 5.005 1.00 0.00 N ATOM 957 CA ASP B 381 14.154 -3.844 5.750 1.00 0.00 C ATOM 958 C ASP B 381 15.373 -2.969 5.840 1.00 0.00 C ATOM 959 O ASP B 381 16.226 -2.955 4.967 1.00 0.00 O ATOM 960 CB ASP B 381 14.476 -5.189 5.134 1.00 0.00 C ATOM 961 CG ASP B 381 15.207 -6.101 6.106 1.00 0.00 C ATOM 962 OD1 ASP B 381 16.165 -5.639 6.770 1.00 0.00 O ATOM 963 OD2 ASP B 381 14.815 -7.281 6.227 1.00 0.00 O ATOM 0 H ASP B 381 13.153 -3.348 4.000 1.00 0.00 H new ATOM 0 HA ASP B 381 13.796 -4.030 6.762 1.00 0.00 H new ATOM 0 HB2 ASP B 381 13.553 -5.670 4.810 1.00 0.00 H new ATOM 0 HB3 ASP B 381 15.088 -5.043 4.244 1.00 0.00 H new ATOM 968 N VAL B 382 15.438 -2.265 6.937 1.00 0.00 N ATOM 969 CA VAL B 382 16.425 -1.234 7.168 1.00 0.00 C ATOM 970 C VAL B 382 17.827 -1.824 7.265 1.00 0.00 C ATOM 971 O VAL B 382 18.829 -1.118 7.175 1.00 0.00 O ATOM 972 CB VAL B 382 16.021 -0.489 8.447 1.00 0.00 C ATOM 973 CG1 VAL B 382 16.973 0.637 8.822 1.00 0.00 C ATOM 974 CG2 VAL B 382 14.585 -0.008 8.281 1.00 0.00 C ATOM 0 H VAL B 382 14.793 -2.392 7.717 1.00 0.00 H new ATOM 0 HA VAL B 382 16.455 -0.536 6.331 1.00 0.00 H new ATOM 0 HB VAL B 382 16.086 -1.179 9.289 1.00 0.00 H new ATOM 0 HG11 VAL B 382 16.625 1.119 9.736 1.00 0.00 H new ATOM 0 HG12 VAL B 382 17.971 0.231 8.984 1.00 0.00 H new ATOM 0 HG13 VAL B 382 17.006 1.370 8.015 1.00 0.00 H new ATOM 0 HG21 VAL B 382 14.274 0.526 9.179 1.00 0.00 H new ATOM 0 HG22 VAL B 382 14.522 0.660 7.422 1.00 0.00 H new ATOM 0 HG23 VAL B 382 13.930 -0.865 8.123 1.00 0.00 H new ATOM 984 N GLU B 383 17.882 -3.132 7.390 1.00 0.00 N ATOM 985 CA GLU B 383 19.133 -3.845 7.434 1.00 0.00 C ATOM 986 C GLU B 383 19.486 -4.336 6.042 1.00 0.00 C ATOM 987 O GLU B 383 20.539 -4.023 5.490 1.00 0.00 O ATOM 988 CB GLU B 383 19.013 -5.008 8.387 1.00 0.00 C ATOM 989 CG GLU B 383 19.919 -6.146 8.021 1.00 0.00 C ATOM 990 CD GLU B 383 21.013 -6.377 9.039 1.00 0.00 C ATOM 991 OE1 GLU B 383 20.713 -6.927 10.120 1.00 0.00 O ATOM 992 OE2 GLU B 383 22.172 -6.002 8.766 1.00 0.00 O ATOM 0 H GLU B 383 17.058 -3.729 7.464 1.00 0.00 H new ATOM 0 HA GLU B 383 19.924 -3.182 7.783 1.00 0.00 H new ATOM 0 HB2 GLU B 383 19.247 -4.672 9.397 1.00 0.00 H new ATOM 0 HB3 GLU B 383 17.981 -5.359 8.399 1.00 0.00 H new ATOM 0 HG2 GLU B 383 19.328 -7.056 7.917 1.00 0.00 H new ATOM 0 HG3 GLU B 383 20.370 -5.947 7.049 1.00 0.00 H new ATOM 999 N ALA B 384 18.560 -5.097 5.496 1.00 0.00 N ATOM 1000 CA ALA B 384 18.671 -5.692 4.178 1.00 0.00 C ATOM 1001 C ALA B 384 18.913 -4.642 3.118 1.00 0.00 C ATOM 1002 O ALA B 384 19.802 -4.762 2.275 1.00 0.00 O ATOM 1003 CB ALA B 384 17.361 -6.358 3.903 1.00 0.00 C ATOM 0 H ALA B 384 17.685 -5.326 5.969 1.00 0.00 H new ATOM 0 HA ALA B 384 19.509 -6.389 4.153 1.00 0.00 H new ATOM 0 HB1 ALA B 384 17.390 -6.825 2.918 1.00 0.00 H new ATOM 0 HB2 ALA B 384 17.174 -7.120 4.660 1.00 0.00 H new ATOM 0 HB3 ALA B 384 16.563 -5.616 3.930 1.00 0.00 H new ATOM 1009 N LEU B 385 18.091 -3.617 3.174 1.00 0.00 N ATOM 1010 CA LEU B 385 18.129 -2.544 2.213 1.00 0.00 C ATOM 1011 C LEU B 385 19.374 -1.691 2.431 1.00 0.00 C ATOM 1012 O LEU B 385 19.861 -1.020 1.523 1.00 0.00 O ATOM 1013 CB LEU B 385 16.878 -1.687 2.361 1.00 0.00 C ATOM 1014 CG LEU B 385 15.539 -2.426 2.260 1.00 0.00 C ATOM 1015 CD1 LEU B 385 14.415 -1.440 1.995 1.00 0.00 C ATOM 1016 CD2 LEU B 385 15.555 -3.484 1.174 1.00 0.00 C ATOM 0 H LEU B 385 17.375 -3.507 3.892 1.00 0.00 H new ATOM 0 HA LEU B 385 18.163 -2.962 1.207 1.00 0.00 H new ATOM 0 HB2 LEU B 385 16.920 -1.183 3.326 1.00 0.00 H new ATOM 0 HB3 LEU B 385 16.901 -0.912 1.595 1.00 0.00 H new ATOM 0 HG LEU B 385 15.373 -2.927 3.213 1.00 0.00 H new ATOM 0 HD11 LEU B 385 13.469 -1.977 1.925 1.00 0.00 H new ATOM 0 HD12 LEU B 385 14.364 -0.719 2.811 1.00 0.00 H new ATOM 0 HD13 LEU B 385 14.604 -0.915 1.058 1.00 0.00 H new ATOM 0 HD21 LEU B 385 14.586 -3.983 1.138 1.00 0.00 H new ATOM 0 HD22 LEU B 385 15.758 -3.014 0.211 1.00 0.00 H new ATOM 0 HD23 LEU B 385 16.332 -4.217 1.391 1.00 0.00 H new ATOM 1028 N GLY B 386 19.894 -1.761 3.651 1.00 0.00 N ATOM 1029 CA GLY B 386 21.017 -0.941 4.045 1.00 0.00 C ATOM 1030 C GLY B 386 20.594 0.473 4.315 1.00 0.00 C ATOM 1031 O GLY B 386 21.283 1.428 3.962 1.00 0.00 O ATOM 0 H GLY B 386 19.549 -2.383 4.382 1.00 0.00 H new ATOM 0 HA2 GLY B 386 21.480 -1.361 4.938 1.00 0.00 H new ATOM 0 HA3 GLY B 386 21.772 -0.953 3.259 1.00 0.00 H new ATOM 1035 N LEU B 387 19.453 0.589 4.961 1.00 0.00 N ATOM 1036 CA LEU B 387 18.884 1.870 5.308 1.00 0.00 C ATOM 1037 C LEU B 387 19.588 2.430 6.535 1.00 0.00 C ATOM 1038 O LEU B 387 19.807 1.707 7.506 1.00 0.00 O ATOM 1039 CB LEU B 387 17.413 1.715 5.603 1.00 0.00 C ATOM 1040 CG LEU B 387 16.588 1.121 4.482 1.00 0.00 C ATOM 1041 CD1 LEU B 387 15.146 1.424 4.665 1.00 0.00 C ATOM 1042 CD2 LEU B 387 17.027 1.631 3.155 1.00 0.00 C ATOM 0 H LEU B 387 18.892 -0.209 5.261 1.00 0.00 H new ATOM 0 HA LEU B 387 19.014 2.554 4.470 1.00 0.00 H new ATOM 0 HB2 LEU B 387 17.301 1.087 6.487 1.00 0.00 H new ATOM 0 HB3 LEU B 387 17.004 2.694 5.853 1.00 0.00 H new ATOM 0 HG LEU B 387 16.738 0.042 4.514 1.00 0.00 H new ATOM 0 HD11 LEU B 387 14.575 0.986 3.846 1.00 0.00 H new ATOM 0 HD12 LEU B 387 14.803 1.005 5.611 1.00 0.00 H new ATOM 0 HD13 LEU B 387 14.999 2.504 4.672 1.00 0.00 H new ATOM 0 HD21 LEU B 387 16.414 1.184 2.372 1.00 0.00 H new ATOM 0 HD22 LEU B 387 16.917 2.715 3.127 1.00 0.00 H new ATOM 0 HD23 LEU B 387 18.072 1.368 2.992 1.00 0.00 H new ATOM 1054 N HIS B 388 19.959 3.695 6.499 1.00 0.00 N ATOM 1055 CA HIS B 388 20.622 4.303 7.646 1.00 0.00 C ATOM 1056 C HIS B 388 19.974 5.629 8.029 1.00 0.00 C ATOM 1057 O HIS B 388 20.376 6.271 8.997 1.00 0.00 O ATOM 1058 CB HIS B 388 22.113 4.494 7.366 1.00 0.00 C ATOM 1059 CG HIS B 388 22.846 3.205 7.137 1.00 0.00 C ATOM 1060 ND1 HIS B 388 23.390 2.849 5.921 1.00 0.00 N ATOM 1061 CD2 HIS B 388 23.107 2.177 7.977 1.00 0.00 C ATOM 1062 CE1 HIS B 388 23.952 1.659 6.026 1.00 0.00 C ATOM 1063 NE2 HIS B 388 23.795 1.230 7.264 1.00 0.00 N ATOM 0 H HIS B 388 19.818 4.317 5.703 1.00 0.00 H new ATOM 0 HA HIS B 388 20.510 3.624 8.491 1.00 0.00 H new ATOM 0 HB2 HIS B 388 22.232 5.132 6.490 1.00 0.00 H new ATOM 0 HB3 HIS B 388 22.569 5.018 8.206 1.00 0.00 H new ATOM 0 HD2 HIS B 388 22.825 2.114 9.018 1.00 0.00 H new ATOM 0 HE1 HIS B 388 24.455 1.126 5.233 1.00 0.00 H new ATOM 0 HE2 HIS B 388 24.131 0.339 7.630 1.00 0.00 H new ATOM 1072 N ASP B 389 18.972 6.034 7.265 1.00 0.00 N ATOM 1073 CA ASP B 389 18.196 7.229 7.591 1.00 0.00 C ATOM 1074 C ASP B 389 16.727 6.875 7.726 1.00 0.00 C ATOM 1075 O ASP B 389 15.896 7.737 7.988 1.00 0.00 O ATOM 1076 CB ASP B 389 18.361 8.310 6.519 1.00 0.00 C ATOM 1077 CG ASP B 389 19.618 9.137 6.685 1.00 0.00 C ATOM 1078 OD1 ASP B 389 19.602 10.097 7.486 1.00 0.00 O ATOM 1079 OD2 ASP B 389 20.623 8.852 6.003 1.00 0.00 O ATOM 0 H ASP B 389 18.674 5.556 6.415 1.00 0.00 H new ATOM 0 HA ASP B 389 18.570 7.620 8.537 1.00 0.00 H new ATOM 0 HB2 ASP B 389 18.373 7.838 5.537 1.00 0.00 H new ATOM 0 HB3 ASP B 389 17.495 8.971 6.544 1.00 0.00 H new ATOM 1084 N TYR B 390 16.429 5.593 7.540 1.00 0.00 N ATOM 1085 CA TYR B 390 15.065 5.065 7.548 1.00 0.00 C ATOM 1086 C TYR B 390 14.161 5.691 8.596 1.00 0.00 C ATOM 1087 O TYR B 390 13.166 6.297 8.253 1.00 0.00 O ATOM 1088 CB TYR B 390 15.107 3.598 7.775 1.00 0.00 C ATOM 1089 CG TYR B 390 13.784 3.036 8.135 1.00 0.00 C ATOM 1090 CD1 TYR B 390 12.818 2.933 7.177 1.00 0.00 C ATOM 1091 CD2 TYR B 390 13.504 2.615 9.428 1.00 0.00 C ATOM 1092 CE1 TYR B 390 11.599 2.418 7.467 1.00 0.00 C ATOM 1093 CE2 TYR B 390 12.276 2.093 9.739 1.00 0.00 C ATOM 1094 CZ TYR B 390 11.324 1.990 8.758 1.00 0.00 C ATOM 1095 OH TYR B 390 10.108 1.456 9.070 1.00 0.00 O ATOM 0 H TYR B 390 17.138 4.879 7.377 1.00 0.00 H new ATOM 0 HA TYR B 390 14.640 5.314 6.576 1.00 0.00 H new ATOM 0 HB2 TYR B 390 15.473 3.106 6.874 1.00 0.00 H new ATOM 0 HB3 TYR B 390 15.819 3.378 8.570 1.00 0.00 H new ATOM 0 HD1 TYR B 390 13.028 3.267 6.172 1.00 0.00 H new ATOM 0 HD2 TYR B 390 14.260 2.700 10.195 1.00 0.00 H new ATOM 0 HE1 TYR B 390 10.845 2.341 6.697 1.00 0.00 H new ATOM 0 HE2 TYR B 390 12.060 1.766 10.746 1.00 0.00 H new ATOM 0 HH TYR B 390 10.092 1.210 10.019 1.00 0.00 H new ATOM 1105 N CYS B 391 14.497 5.530 9.866 1.00 0.00 N ATOM 1106 CA CYS B 391 13.589 5.919 10.940 1.00 0.00 C ATOM 1107 C CYS B 391 13.468 7.437 11.028 1.00 0.00 C ATOM 1108 O CYS B 391 12.600 7.971 11.723 1.00 0.00 O ATOM 1109 CB CYS B 391 14.058 5.325 12.268 1.00 0.00 C ATOM 1110 SG CYS B 391 12.934 5.617 13.653 1.00 0.00 S ATOM 0 H CYS B 391 15.384 5.136 10.180 1.00 0.00 H new ATOM 0 HA CYS B 391 12.598 5.523 10.718 1.00 0.00 H new ATOM 0 HB2 CYS B 391 14.192 4.250 12.145 1.00 0.00 H new ATOM 0 HB3 CYS B 391 15.035 5.742 12.514 1.00 0.00 H new ATOM 0 HG CYS B 391 12.279 6.722 13.455 1.00 0.00 H new ATOM 1116 N ASP B 392 14.341 8.124 10.315 1.00 0.00 N ATOM 1117 CA ASP B 392 14.239 9.561 10.158 1.00 0.00 C ATOM 1118 C ASP B 392 13.219 9.874 9.120 1.00 0.00 C ATOM 1119 O ASP B 392 12.330 10.703 9.312 1.00 0.00 O ATOM 1120 CB ASP B 392 15.562 10.154 9.732 1.00 0.00 C ATOM 1121 CG ASP B 392 16.230 10.938 10.834 1.00 0.00 C ATOM 1122 OD1 ASP B 392 15.813 12.089 11.083 1.00 0.00 O ATOM 1123 OD2 ASP B 392 17.174 10.412 11.454 1.00 0.00 O ATOM 0 H ASP B 392 15.135 7.704 9.832 1.00 0.00 H new ATOM 0 HA ASP B 392 13.952 9.990 11.118 1.00 0.00 H new ATOM 0 HB2 ASP B 392 16.227 9.353 9.407 1.00 0.00 H new ATOM 0 HB3 ASP B 392 15.404 10.806 8.873 1.00 0.00 H new ATOM 1128 N ILE B 393 13.379 9.207 8.014 1.00 0.00 N ATOM 1129 CA ILE B 393 12.457 9.297 6.928 1.00 0.00 C ATOM 1130 C ILE B 393 11.093 8.824 7.346 1.00 0.00 C ATOM 1131 O ILE B 393 10.138 9.584 7.496 1.00 0.00 O ATOM 1132 CB ILE B 393 12.920 8.393 5.784 1.00 0.00 C ATOM 1133 CG1 ILE B 393 14.212 8.915 5.228 1.00 0.00 C ATOM 1134 CG2 ILE B 393 11.866 8.383 4.705 1.00 0.00 C ATOM 1135 CD1 ILE B 393 15.274 7.889 5.064 1.00 0.00 C ATOM 0 H ILE B 393 14.164 8.579 7.842 1.00 0.00 H new ATOM 0 HA ILE B 393 12.413 10.340 6.615 1.00 0.00 H new ATOM 0 HB ILE B 393 13.073 7.378 6.152 1.00 0.00 H new ATOM 0 HG12 ILE B 393 14.016 9.374 4.259 1.00 0.00 H new ATOM 0 HG13 ILE B 393 14.583 9.702 5.885 1.00 0.00 H new ATOM 0 HG21 ILE B 393 12.190 7.740 3.886 1.00 0.00 H new ATOM 0 HG22 ILE B 393 10.929 8.005 5.115 1.00 0.00 H new ATOM 0 HG23 ILE B 393 11.716 9.397 4.333 1.00 0.00 H new ATOM 0 HD11 ILE B 393 16.171 8.356 4.657 1.00 0.00 H new ATOM 0 HD12 ILE B 393 15.504 7.445 6.033 1.00 0.00 H new ATOM 0 HD13 ILE B 393 14.928 7.113 4.382 1.00 0.00 H new ATOM 1147 N ILE B 394 11.069 7.552 7.591 1.00 0.00 N ATOM 1148 CA ILE B 394 9.879 6.783 7.659 1.00 0.00 C ATOM 1149 C ILE B 394 9.259 6.851 9.036 1.00 0.00 C ATOM 1150 O ILE B 394 9.841 6.409 10.024 1.00 0.00 O ATOM 1151 CB ILE B 394 10.221 5.342 7.310 1.00 0.00 C ATOM 1152 CG1 ILE B 394 10.721 5.226 5.866 1.00 0.00 C ATOM 1153 CG2 ILE B 394 9.047 4.447 7.577 1.00 0.00 C ATOM 1154 CD1 ILE B 394 9.677 5.499 4.817 1.00 0.00 C ATOM 0 H ILE B 394 11.914 7.005 7.755 1.00 0.00 H new ATOM 0 HA ILE B 394 9.151 7.184 6.953 1.00 0.00 H new ATOM 0 HB ILE B 394 11.038 5.012 7.952 1.00 0.00 H new ATOM 0 HG12 ILE B 394 11.549 5.921 5.725 1.00 0.00 H new ATOM 0 HG13 ILE B 394 11.118 4.222 5.712 1.00 0.00 H new ATOM 0 HG21 ILE B 394 9.307 3.420 7.322 1.00 0.00 H new ATOM 0 HG22 ILE B 394 8.780 4.503 8.632 1.00 0.00 H new ATOM 0 HG23 ILE B 394 8.200 4.767 6.971 1.00 0.00 H new ATOM 0 HD11 ILE B 394 10.120 5.394 3.827 1.00 0.00 H new ATOM 0 HD12 ILE B 394 8.858 4.788 4.925 1.00 0.00 H new ATOM 0 HD13 ILE B 394 9.296 6.513 4.938 1.00 0.00 H new ATOM 1166 N LYS B 395 8.078 7.418 9.084 1.00 0.00 N ATOM 1167 CA LYS B 395 7.342 7.527 10.318 1.00 0.00 C ATOM 1168 C LYS B 395 6.319 6.411 10.399 1.00 0.00 C ATOM 1169 O LYS B 395 6.077 5.841 11.462 1.00 0.00 O ATOM 1170 CB LYS B 395 6.644 8.865 10.369 1.00 0.00 C ATOM 1171 CG LYS B 395 7.489 10.004 9.828 1.00 0.00 C ATOM 1172 CD LYS B 395 8.709 10.286 10.689 1.00 0.00 C ATOM 1173 CE LYS B 395 9.391 11.567 10.256 1.00 0.00 C ATOM 1174 NZ LYS B 395 8.582 12.767 10.595 1.00 0.00 N ATOM 0 H LYS B 395 7.603 7.815 8.273 1.00 0.00 H new ATOM 0 HA LYS B 395 8.028 7.446 11.161 1.00 0.00 H new ATOM 0 HB2 LYS B 395 5.718 8.806 9.798 1.00 0.00 H new ATOM 0 HB3 LYS B 395 6.369 9.084 11.401 1.00 0.00 H new ATOM 0 HG2 LYS B 395 7.811 9.763 8.815 1.00 0.00 H new ATOM 0 HG3 LYS B 395 6.879 10.905 9.762 1.00 0.00 H new ATOM 0 HD2 LYS B 395 8.411 10.363 11.735 1.00 0.00 H new ATOM 0 HD3 LYS B 395 9.410 9.454 10.618 1.00 0.00 H new ATOM 0 HE2 LYS B 395 10.367 11.639 10.737 1.00 0.00 H new ATOM 0 HE3 LYS B 395 9.567 11.539 9.181 1.00 0.00 H new ATOM 0 HZ1 LYS B 395 9.184 13.614 10.554 1.00 0.00 H new ATOM 0 HZ2 LYS B 395 7.802 12.863 9.914 1.00 0.00 H new ATOM 0 HZ3 LYS B 395 8.194 12.664 11.554 1.00 0.00 H new ATOM 1188 N HIS B 396 5.751 6.076 9.245 1.00 0.00 N ATOM 1189 CA HIS B 396 4.720 5.064 9.165 1.00 0.00 C ATOM 1190 C HIS B 396 4.847 4.318 7.884 1.00 0.00 C ATOM 1191 O HIS B 396 4.150 4.574 6.913 1.00 0.00 O ATOM 1192 CB HIS B 396 3.304 5.629 9.300 1.00 0.00 C ATOM 1193 CG HIS B 396 3.070 6.946 8.625 1.00 0.00 C ATOM 1194 ND1 HIS B 396 3.799 7.606 7.696 1.00 0.00 N flip ATOM 1195 CD2 HIS B 396 1.960 7.726 8.862 1.00 0.00 C flip ATOM 1196 CE1 HIS B 396 3.118 8.755 7.389 1.00 0.00 C flip ATOM 1197 NE2 HIS B 396 2.012 8.805 8.106 1.00 0.00 N flip ATOM 0 H HIS B 396 5.994 6.498 8.349 1.00 0.00 H new ATOM 0 HA HIS B 396 4.870 4.394 10.012 1.00 0.00 H new ATOM 0 HB2 HIS B 396 2.601 4.902 8.894 1.00 0.00 H new ATOM 0 HB3 HIS B 396 3.074 5.737 10.360 1.00 0.00 H new ATOM 0 HD2 HIS B 396 1.169 7.490 9.559 1.00 0.00 H new ATOM 0 HE1 HIS B 396 3.436 9.500 6.675 1.00 0.00 H new ATOM 0 HE2 HIS B 396 1.316 9.550 8.080 1.00 0.00 H new ATOM 1206 N PRO B 397 5.763 3.387 7.909 1.00 0.00 N ATOM 1207 CA PRO B 397 6.017 2.486 6.821 1.00 0.00 C ATOM 1208 C PRO B 397 4.957 1.417 6.780 1.00 0.00 C ATOM 1209 O PRO B 397 4.804 0.640 7.724 1.00 0.00 O ATOM 1210 CB PRO B 397 7.340 1.868 7.181 1.00 0.00 C ATOM 1211 CG PRO B 397 7.420 1.964 8.649 1.00 0.00 C ATOM 1212 CD PRO B 397 6.589 3.112 9.067 1.00 0.00 C ATOM 0 HA PRO B 397 6.018 2.980 5.849 1.00 0.00 H new ATOM 0 HB2 PRO B 397 7.394 0.831 6.850 1.00 0.00 H new ATOM 0 HB3 PRO B 397 8.165 2.398 6.705 1.00 0.00 H new ATOM 0 HG2 PRO B 397 7.064 1.044 9.113 1.00 0.00 H new ATOM 0 HG3 PRO B 397 8.453 2.103 8.968 1.00 0.00 H new ATOM 0 HD2 PRO B 397 5.984 2.870 9.940 1.00 0.00 H new ATOM 0 HD3 PRO B 397 7.202 3.973 9.333 1.00 0.00 H new ATOM 1220 N MET B 398 4.228 1.372 5.714 1.00 0.00 N ATOM 1221 CA MET B 398 3.221 0.369 5.574 1.00 0.00 C ATOM 1222 C MET B 398 3.784 -0.787 4.794 1.00 0.00 C ATOM 1223 O MET B 398 4.742 -0.630 4.040 1.00 0.00 O ATOM 1224 CB MET B 398 2.009 0.949 4.912 1.00 0.00 C ATOM 1225 CG MET B 398 0.829 0.029 4.849 1.00 0.00 C ATOM 1226 SD MET B 398 0.640 -1.009 6.314 1.00 0.00 S ATOM 1227 CE MET B 398 0.551 0.249 7.577 1.00 0.00 C ATOM 0 H MET B 398 4.309 2.016 4.927 1.00 0.00 H new ATOM 0 HA MET B 398 2.914 0.004 6.554 1.00 0.00 H new ATOM 0 HB2 MET B 398 1.719 1.854 5.446 1.00 0.00 H new ATOM 0 HB3 MET B 398 2.274 1.248 3.898 1.00 0.00 H new ATOM 0 HG2 MET B 398 -0.076 0.622 4.715 1.00 0.00 H new ATOM 0 HG3 MET B 398 0.924 -0.610 3.971 1.00 0.00 H new ATOM 0 HE1 MET B 398 1.493 0.283 8.124 1.00 0.00 H new ATOM 0 HE2 MET B 398 0.365 1.218 7.113 1.00 0.00 H new ATOM 0 HE3 MET B 398 -0.260 0.015 8.267 1.00 0.00 H new ATOM 1237 N ASP B 399 3.227 -1.942 5.010 1.00 0.00 N ATOM 1238 CA ASP B 399 3.623 -3.104 4.276 1.00 0.00 C ATOM 1239 C ASP B 399 2.384 -3.852 3.844 1.00 0.00 C ATOM 1240 O ASP B 399 1.476 -4.063 4.644 1.00 0.00 O ATOM 1241 CB ASP B 399 4.563 -3.993 5.109 1.00 0.00 C ATOM 1242 CG ASP B 399 4.013 -4.356 6.473 1.00 0.00 C ATOM 1243 OD1 ASP B 399 3.239 -5.328 6.574 1.00 0.00 O ATOM 1244 OD2 ASP B 399 4.366 -3.678 7.464 1.00 0.00 O ATOM 0 H ASP B 399 2.490 -2.103 5.696 1.00 0.00 H new ATOM 0 HA ASP B 399 4.183 -2.804 3.391 1.00 0.00 H new ATOM 0 HB2 ASP B 399 4.767 -4.909 4.555 1.00 0.00 H new ATOM 0 HB3 ASP B 399 5.515 -3.479 5.237 1.00 0.00 H new ATOM 1249 N MET B 400 2.367 -4.205 2.552 1.00 0.00 N ATOM 1250 CA MET B 400 1.276 -4.915 1.889 1.00 0.00 C ATOM 1251 C MET B 400 0.730 -6.045 2.760 1.00 0.00 C ATOM 1252 O MET B 400 -0.419 -6.424 2.620 1.00 0.00 O ATOM 1253 CB MET B 400 1.750 -5.500 0.532 1.00 0.00 C ATOM 1254 CG MET B 400 1.850 -4.532 -0.636 1.00 0.00 C ATOM 1255 SD MET B 400 2.618 -5.280 -2.062 1.00 0.00 S ATOM 1256 CE MET B 400 1.331 -6.439 -2.455 1.00 0.00 C ATOM 0 H MET B 400 3.141 -3.995 1.922 1.00 0.00 H new ATOM 0 HA MET B 400 0.479 -4.192 1.717 1.00 0.00 H new ATOM 0 HB2 MET B 400 2.730 -5.954 0.682 1.00 0.00 H new ATOM 0 HB3 MET B 400 1.067 -6.302 0.251 1.00 0.00 H new ATOM 0 HG2 MET B 400 0.853 -4.182 -0.903 1.00 0.00 H new ATOM 0 HG3 MET B 400 2.424 -3.656 -0.333 1.00 0.00 H new ATOM 0 HE1 MET B 400 1.569 -6.943 -3.392 1.00 0.00 H new ATOM 0 HE2 MET B 400 1.250 -7.177 -1.657 1.00 0.00 H new ATOM 0 HE3 MET B 400 0.384 -5.910 -2.558 1.00 0.00 H new ATOM 1266 N SER B 401 1.542 -6.568 3.667 1.00 0.00 N ATOM 1267 CA SER B 401 1.128 -7.689 4.486 1.00 0.00 C ATOM 1268 C SER B 401 0.355 -7.234 5.731 1.00 0.00 C ATOM 1269 O SER B 401 -0.558 -7.933 6.146 1.00 0.00 O ATOM 1270 CB SER B 401 2.342 -8.561 4.873 1.00 0.00 C ATOM 1271 OG SER B 401 1.945 -9.875 5.233 1.00 0.00 O ATOM 0 H SER B 401 2.488 -6.233 3.851 1.00 0.00 H new ATOM 0 HA SER B 401 0.446 -8.296 3.890 1.00 0.00 H new ATOM 0 HB2 SER B 401 3.040 -8.607 4.037 1.00 0.00 H new ATOM 0 HB3 SER B 401 2.872 -8.099 5.706 1.00 0.00 H new ATOM 0 HG SER B 401 2.736 -10.402 5.471 1.00 0.00 H new ATOM 1277 N THR B 402 0.688 -6.084 6.333 1.00 0.00 N ATOM 1278 CA THR B 402 -0.132 -5.571 7.438 1.00 0.00 C ATOM 1279 C THR B 402 -1.467 -5.142 6.921 1.00 0.00 C ATOM 1280 O THR B 402 -2.480 -5.622 7.376 1.00 0.00 O ATOM 1281 CB THR B 402 0.429 -4.349 8.169 1.00 0.00 C ATOM 1282 OG1 THR B 402 1.752 -4.623 8.652 1.00 0.00 O ATOM 1283 CG2 THR B 402 -0.495 -3.976 9.345 1.00 0.00 C ATOM 0 H THR B 402 1.492 -5.508 6.084 1.00 0.00 H new ATOM 0 HA THR B 402 -0.168 -6.404 8.140 1.00 0.00 H new ATOM 0 HB THR B 402 0.478 -3.512 7.473 1.00 0.00 H new ATOM 0 HG1 THR B 402 2.213 -5.218 8.024 1.00 0.00 H new ATOM 0 HG21 THR B 402 -0.092 -3.106 9.863 1.00 0.00 H new ATOM 0 HG22 THR B 402 -1.490 -3.744 8.966 1.00 0.00 H new ATOM 0 HG23 THR B 402 -0.557 -4.814 10.039 1.00 0.00 H new ATOM 1291 N ILE B 403 -1.454 -4.221 5.973 1.00 0.00 N ATOM 1292 CA ILE B 403 -2.654 -3.711 5.384 1.00 0.00 C ATOM 1293 C ILE B 403 -3.566 -4.842 4.979 1.00 0.00 C ATOM 1294 O ILE B 403 -4.772 -4.812 5.210 1.00 0.00 O ATOM 1295 CB ILE B 403 -2.268 -2.838 4.201 1.00 0.00 C ATOM 1296 CG1 ILE B 403 -3.346 -2.750 3.184 1.00 0.00 C ATOM 1297 CG2 ILE B 403 -1.017 -3.352 3.516 1.00 0.00 C ATOM 1298 CD1 ILE B 403 -2.817 -2.013 2.012 1.00 0.00 C ATOM 0 H ILE B 403 -0.599 -3.811 5.596 1.00 0.00 H new ATOM 0 HA ILE B 403 -3.207 -3.108 6.104 1.00 0.00 H new ATOM 0 HB ILE B 403 -2.088 -1.847 4.617 1.00 0.00 H new ATOM 0 HG12 ILE B 403 -3.674 -3.747 2.890 1.00 0.00 H new ATOM 0 HG13 ILE B 403 -4.216 -2.237 3.595 1.00 0.00 H new ATOM 0 HG21 ILE B 403 -0.770 -2.704 2.675 1.00 0.00 H new ATOM 0 HG22 ILE B 403 -0.190 -3.357 4.225 1.00 0.00 H new ATOM 0 HG23 ILE B 403 -1.191 -4.365 3.154 1.00 0.00 H new ATOM 0 HD11 ILE B 403 -3.593 -1.936 1.250 1.00 0.00 H new ATOM 0 HD12 ILE B 403 -2.509 -1.013 2.319 1.00 0.00 H new ATOM 0 HD13 ILE B 403 -1.959 -2.547 1.603 1.00 0.00 H new ATOM 1310 N LYS B 404 -2.965 -5.864 4.438 1.00 0.00 N ATOM 1311 CA LYS B 404 -3.655 -7.067 4.130 1.00 0.00 C ATOM 1312 C LYS B 404 -4.105 -7.779 5.390 1.00 0.00 C ATOM 1313 O LYS B 404 -5.232 -8.207 5.501 1.00 0.00 O ATOM 1314 CB LYS B 404 -2.697 -7.935 3.419 1.00 0.00 C ATOM 1315 CG LYS B 404 -3.028 -9.375 3.460 1.00 0.00 C ATOM 1316 CD LYS B 404 -1.862 -10.117 2.972 1.00 0.00 C ATOM 1317 CE LYS B 404 -1.030 -10.504 4.165 1.00 0.00 C ATOM 1318 NZ LYS B 404 -0.052 -11.569 3.869 1.00 0.00 N ATOM 0 H LYS B 404 -1.973 -5.877 4.199 1.00 0.00 H new ATOM 0 HA LYS B 404 -4.539 -6.844 3.533 1.00 0.00 H new ATOM 0 HB2 LYS B 404 -2.642 -7.617 2.378 1.00 0.00 H new ATOM 0 HB3 LYS B 404 -1.706 -7.790 3.850 1.00 0.00 H new ATOM 0 HG2 LYS B 404 -3.277 -9.681 4.476 1.00 0.00 H new ATOM 0 HG3 LYS B 404 -3.900 -9.584 2.841 1.00 0.00 H new ATOM 0 HD2 LYS B 404 -2.177 -11.004 2.422 1.00 0.00 H new ATOM 0 HD3 LYS B 404 -1.280 -9.504 2.283 1.00 0.00 H new ATOM 0 HE2 LYS B 404 -0.500 -9.625 4.532 1.00 0.00 H new ATOM 0 HE3 LYS B 404 -1.689 -10.837 4.967 1.00 0.00 H new ATOM 0 HZ1 LYS B 404 0.881 -11.297 4.240 1.00 0.00 H new ATOM 0 HZ2 LYS B 404 -0.358 -12.456 4.318 1.00 0.00 H new ATOM 0 HZ3 LYS B 404 0.011 -11.706 2.840 1.00 0.00 H new ATOM 1332 N SER B 405 -3.174 -7.948 6.301 1.00 0.00 N ATOM 1333 CA SER B 405 -3.435 -8.567 7.594 1.00 0.00 C ATOM 1334 C SER B 405 -4.609 -7.897 8.276 1.00 0.00 C ATOM 1335 O SER B 405 -5.370 -8.541 8.978 1.00 0.00 O ATOM 1336 CB SER B 405 -2.220 -8.420 8.500 1.00 0.00 C ATOM 1337 OG SER B 405 -1.952 -9.615 9.213 1.00 0.00 O ATOM 0 H SER B 405 -2.204 -7.660 6.171 1.00 0.00 H new ATOM 0 HA SER B 405 -3.655 -9.620 7.421 1.00 0.00 H new ATOM 0 HB2 SER B 405 -1.350 -8.150 7.901 1.00 0.00 H new ATOM 0 HB3 SER B 405 -2.387 -7.605 9.205 1.00 0.00 H new ATOM 0 HG SER B 405 -1.165 -9.486 9.783 1.00 0.00 H new ATOM 1343 N LYS B 406 -4.721 -6.593 8.080 1.00 0.00 N ATOM 1344 CA LYS B 406 -5.785 -5.818 8.666 1.00 0.00 C ATOM 1345 C LYS B 406 -7.075 -6.062 7.894 1.00 0.00 C ATOM 1346 O LYS B 406 -8.147 -6.066 8.472 1.00 0.00 O ATOM 1347 CB LYS B 406 -5.449 -4.353 8.643 1.00 0.00 C ATOM 1348 CG LYS B 406 -4.050 -4.043 9.093 1.00 0.00 C ATOM 1349 CD LYS B 406 -3.783 -4.342 10.540 1.00 0.00 C ATOM 1350 CE LYS B 406 -4.837 -3.742 11.431 1.00 0.00 C ATOM 1351 NZ LYS B 406 -4.524 -3.935 12.874 1.00 0.00 N ATOM 0 H LYS B 406 -4.074 -6.049 7.509 1.00 0.00 H new ATOM 0 HA LYS B 406 -5.913 -6.127 9.703 1.00 0.00 H new ATOM 0 HB2 LYS B 406 -5.587 -3.974 7.630 1.00 0.00 H new ATOM 0 HB3 LYS B 406 -6.153 -3.819 9.282 1.00 0.00 H new ATOM 0 HG2 LYS B 406 -3.350 -4.613 8.482 1.00 0.00 H new ATOM 0 HG3 LYS B 406 -3.848 -2.988 8.909 1.00 0.00 H new ATOM 0 HD2 LYS B 406 -3.750 -5.421 10.689 1.00 0.00 H new ATOM 0 HD3 LYS B 406 -2.804 -3.952 10.819 1.00 0.00 H new ATOM 0 HE2 LYS B 406 -4.927 -2.677 11.219 1.00 0.00 H new ATOM 0 HE3 LYS B 406 -5.803 -4.195 11.206 1.00 0.00 H new ATOM 0 HZ1 LYS B 406 -5.155 -3.341 13.449 1.00 0.00 H new ATOM 0 HZ2 LYS B 406 -4.662 -4.934 13.129 1.00 0.00 H new ATOM 0 HZ3 LYS B 406 -3.536 -3.665 13.054 1.00 0.00 H new ATOM 1365 N LEU B 407 -6.963 -6.201 6.567 1.00 0.00 N ATOM 1366 CA LEU B 407 -8.020 -6.784 5.754 1.00 0.00 C ATOM 1367 C LEU B 407 -8.455 -8.099 6.365 1.00 0.00 C ATOM 1368 O LEU B 407 -9.628 -8.320 6.655 1.00 0.00 O ATOM 1369 CB LEU B 407 -7.509 -7.096 4.343 1.00 0.00 C ATOM 1370 CG LEU B 407 -6.893 -5.949 3.560 1.00 0.00 C ATOM 1371 CD1 LEU B 407 -6.817 -6.307 2.110 1.00 0.00 C ATOM 1372 CD2 LEU B 407 -7.762 -4.757 3.728 1.00 0.00 C ATOM 0 H LEU B 407 -6.141 -5.913 6.037 1.00 0.00 H new ATOM 0 HA LEU B 407 -8.842 -6.069 5.710 1.00 0.00 H new ATOM 0 HB2 LEU B 407 -6.766 -7.890 4.420 1.00 0.00 H new ATOM 0 HB3 LEU B 407 -8.341 -7.493 3.762 1.00 0.00 H new ATOM 0 HG LEU B 407 -5.887 -5.744 3.925 1.00 0.00 H new ATOM 0 HD11 LEU B 407 -6.374 -5.481 1.554 1.00 0.00 H new ATOM 0 HD12 LEU B 407 -6.201 -7.198 1.987 1.00 0.00 H new ATOM 0 HD13 LEU B 407 -7.820 -6.504 1.731 1.00 0.00 H new ATOM 0 HD21 LEU B 407 -7.340 -3.918 3.174 1.00 0.00 H new ATOM 0 HD22 LEU B 407 -8.760 -4.978 3.348 1.00 0.00 H new ATOM 0 HD23 LEU B 407 -7.825 -4.499 4.785 1.00 0.00 H new ATOM 1384 N GLU B 408 -7.460 -8.955 6.562 1.00 0.00 N ATOM 1385 CA GLU B 408 -7.645 -10.278 7.124 1.00 0.00 C ATOM 1386 C GLU B 408 -8.106 -10.166 8.574 1.00 0.00 C ATOM 1387 O GLU B 408 -8.566 -11.128 9.184 1.00 0.00 O ATOM 1388 CB GLU B 408 -6.325 -11.067 7.035 1.00 0.00 C ATOM 1389 CG GLU B 408 -5.733 -11.126 5.633 1.00 0.00 C ATOM 1390 CD GLU B 408 -4.509 -12.023 5.528 1.00 0.00 C ATOM 1391 OE1 GLU B 408 -4.682 -13.220 5.234 1.00 0.00 O ATOM 1392 OE2 GLU B 408 -3.368 -11.536 5.704 1.00 0.00 O ATOM 0 H GLU B 408 -6.490 -8.742 6.331 1.00 0.00 H new ATOM 0 HA GLU B 408 -8.410 -10.809 6.558 1.00 0.00 H new ATOM 0 HB2 GLU B 408 -5.597 -10.614 7.707 1.00 0.00 H new ATOM 0 HB3 GLU B 408 -6.496 -12.083 7.389 1.00 0.00 H new ATOM 0 HG2 GLU B 408 -6.495 -11.482 4.940 1.00 0.00 H new ATOM 0 HG3 GLU B 408 -5.463 -10.118 5.319 1.00 0.00 H new ATOM 1399 N ALA B 409 -7.973 -8.965 9.101 1.00 0.00 N ATOM 1400 CA ALA B 409 -8.355 -8.656 10.464 1.00 0.00 C ATOM 1401 C ALA B 409 -9.680 -7.935 10.489 1.00 0.00 C ATOM 1402 O ALA B 409 -10.280 -7.745 11.550 1.00 0.00 O ATOM 1403 CB ALA B 409 -7.258 -7.834 11.153 1.00 0.00 C ATOM 0 H ALA B 409 -7.593 -8.168 8.590 1.00 0.00 H new ATOM 0 HA ALA B 409 -8.472 -9.588 11.017 1.00 0.00 H new ATOM 0 HB1 ALA B 409 -7.560 -7.610 12.176 1.00 0.00 H new ATOM 0 HB2 ALA B 409 -6.329 -8.405 11.165 1.00 0.00 H new ATOM 0 HB3 ALA B 409 -7.104 -6.903 10.608 1.00 0.00 H new ATOM 1409 N ARG B 410 -10.133 -7.548 9.298 1.00 0.00 N ATOM 1410 CA ARG B 410 -11.331 -6.736 9.135 1.00 0.00 C ATOM 1411 C ARG B 410 -11.196 -5.456 9.943 1.00 0.00 C ATOM 1412 O ARG B 410 -12.167 -4.763 10.243 1.00 0.00 O ATOM 1413 CB ARG B 410 -12.571 -7.534 9.544 1.00 0.00 C ATOM 1414 CG ARG B 410 -13.094 -8.470 8.465 1.00 0.00 C ATOM 1415 CD ARG B 410 -12.089 -9.550 8.081 1.00 0.00 C ATOM 1416 NE ARG B 410 -11.835 -10.493 9.172 1.00 0.00 N ATOM 1417 CZ ARG B 410 -11.764 -11.818 9.018 1.00 0.00 C ATOM 1418 NH1 ARG B 410 -12.013 -12.372 7.836 1.00 0.00 N ATOM 1419 NH2 ARG B 410 -11.457 -12.590 10.051 1.00 0.00 N ATOM 0 H ARG B 410 -9.677 -7.791 8.419 1.00 0.00 H new ATOM 0 HA ARG B 410 -11.447 -6.463 8.086 1.00 0.00 H new ATOM 0 HB2 ARG B 410 -12.336 -8.118 10.434 1.00 0.00 H new ATOM 0 HB3 ARG B 410 -13.363 -6.838 9.820 1.00 0.00 H new ATOM 0 HG2 ARG B 410 -14.012 -8.942 8.814 1.00 0.00 H new ATOM 0 HG3 ARG B 410 -13.351 -7.889 7.580 1.00 0.00 H new ATOM 0 HD2 ARG B 410 -12.460 -10.095 7.213 1.00 0.00 H new ATOM 0 HD3 ARG B 410 -11.151 -9.080 7.785 1.00 0.00 H new ATOM 0 HE ARG B 410 -11.704 -10.114 10.110 1.00 0.00 H new ATOM 0 HH11 ARG B 410 -12.260 -11.785 7.039 1.00 0.00 H new ATOM 0 HH12 ARG B 410 -11.957 -13.384 7.725 1.00 0.00 H new ATOM 0 HH21 ARG B 410 -11.275 -12.172 10.964 1.00 0.00 H new ATOM 0 HH22 ARG B 410 -11.403 -13.602 9.933 1.00 0.00 H new ATOM 1433 N GLU B 411 -9.950 -5.182 10.278 1.00 0.00 N ATOM 1434 CA GLU B 411 -9.531 -3.967 10.918 1.00 0.00 C ATOM 1435 C GLU B 411 -9.782 -2.817 9.981 1.00 0.00 C ATOM 1436 O GLU B 411 -10.144 -1.712 10.387 1.00 0.00 O ATOM 1437 CB GLU B 411 -8.063 -4.106 11.232 1.00 0.00 C ATOM 1438 CG GLU B 411 -7.801 -4.863 12.511 1.00 0.00 C ATOM 1439 CD GLU B 411 -8.561 -4.295 13.689 1.00 0.00 C ATOM 1440 OE1 GLU B 411 -8.181 -3.214 14.177 1.00 0.00 O ATOM 1441 OE2 GLU B 411 -9.549 -4.922 14.126 1.00 0.00 O ATOM 0 H GLU B 411 -9.180 -5.828 10.102 1.00 0.00 H new ATOM 0 HA GLU B 411 -10.083 -3.781 11.839 1.00 0.00 H new ATOM 0 HB2 GLU B 411 -7.568 -4.617 10.406 1.00 0.00 H new ATOM 0 HB3 GLU B 411 -7.618 -3.114 11.306 1.00 0.00 H new ATOM 0 HG2 GLU B 411 -8.079 -5.908 12.374 1.00 0.00 H new ATOM 0 HG3 GLU B 411 -6.733 -4.843 12.728 1.00 0.00 H new ATOM 1448 N TYR B 412 -9.592 -3.106 8.711 1.00 0.00 N ATOM 1449 CA TYR B 412 -10.022 -2.215 7.672 1.00 0.00 C ATOM 1450 C TYR B 412 -11.479 -2.430 7.483 1.00 0.00 C ATOM 1451 O TYR B 412 -11.923 -3.523 7.174 1.00 0.00 O ATOM 1452 CB TYR B 412 -9.184 -2.373 6.400 1.00 0.00 C ATOM 1453 CG TYR B 412 -7.740 -2.025 6.658 1.00 0.00 C ATOM 1454 CD1 TYR B 412 -7.373 -1.439 7.857 1.00 0.00 C ATOM 1455 CD2 TYR B 412 -6.747 -2.318 5.745 1.00 0.00 C ATOM 1456 CE1 TYR B 412 -6.052 -1.162 8.139 1.00 0.00 C ATOM 1457 CE2 TYR B 412 -5.428 -2.030 6.016 1.00 0.00 C ATOM 1458 CZ TYR B 412 -5.087 -1.459 7.216 1.00 0.00 C ATOM 1459 OH TYR B 412 -3.770 -1.200 7.505 1.00 0.00 O ATOM 0 H TYR B 412 -9.139 -3.958 8.379 1.00 0.00 H new ATOM 0 HA TYR B 412 -9.861 -1.174 7.952 1.00 0.00 H new ATOM 0 HB2 TYR B 412 -9.256 -3.399 6.038 1.00 0.00 H new ATOM 0 HB3 TYR B 412 -9.582 -1.730 5.615 1.00 0.00 H new ATOM 0 HD1 TYR B 412 -8.134 -1.195 8.584 1.00 0.00 H new ATOM 0 HD2 TYR B 412 -7.008 -2.780 4.804 1.00 0.00 H new ATOM 0 HE1 TYR B 412 -5.781 -0.713 9.083 1.00 0.00 H new ATOM 0 HE2 TYR B 412 -4.664 -2.253 5.286 1.00 0.00 H new ATOM 0 HH TYR B 412 -3.687 -0.295 7.872 1.00 0.00 H new ATOM 1469 N ARG B 413 -12.222 -1.399 7.832 1.00 0.00 N ATOM 1470 CA ARG B 413 -13.657 -1.459 7.776 1.00 0.00 C ATOM 1471 C ARG B 413 -14.077 -1.495 6.340 1.00 0.00 C ATOM 1472 O ARG B 413 -15.061 -2.126 5.984 1.00 0.00 O ATOM 1473 CB ARG B 413 -14.274 -0.269 8.471 1.00 0.00 C ATOM 1474 CG ARG B 413 -13.634 0.005 9.794 1.00 0.00 C ATOM 1475 CD ARG B 413 -13.870 -1.121 10.762 1.00 0.00 C ATOM 1476 NE ARG B 413 -13.197 -0.899 12.041 1.00 0.00 N ATOM 1477 CZ ARG B 413 -12.694 -1.873 12.804 1.00 0.00 C ATOM 1478 NH1 ARG B 413 -12.772 -3.140 12.414 1.00 0.00 N ATOM 1479 NH2 ARG B 413 -12.106 -1.577 13.956 1.00 0.00 N ATOM 0 H ARG B 413 -11.847 -0.508 8.158 1.00 0.00 H new ATOM 0 HA ARG B 413 -14.001 -2.357 8.289 1.00 0.00 H new ATOM 0 HB2 ARG B 413 -14.180 0.611 7.834 1.00 0.00 H new ATOM 0 HB3 ARG B 413 -15.340 -0.446 8.614 1.00 0.00 H new ATOM 0 HG2 ARG B 413 -12.562 0.151 9.658 1.00 0.00 H new ATOM 0 HG3 ARG B 413 -14.032 0.932 10.207 1.00 0.00 H new ATOM 0 HD2 ARG B 413 -14.941 -1.234 10.931 1.00 0.00 H new ATOM 0 HD3 ARG B 413 -13.516 -2.055 10.324 1.00 0.00 H new ATOM 0 HE ARG B 413 -13.106 0.062 12.372 1.00 0.00 H new ATOM 0 HH11 ARG B 413 -13.218 -3.374 11.527 1.00 0.00 H new ATOM 0 HH12 ARG B 413 -12.386 -3.879 13.001 1.00 0.00 H new ATOM 0 HH21 ARG B 413 -12.038 -0.605 14.259 1.00 0.00 H new ATOM 0 HH22 ARG B 413 -11.722 -2.321 14.539 1.00 0.00 H new ATOM 1493 N ASP B 414 -13.264 -0.843 5.525 1.00 0.00 N ATOM 1494 CA ASP B 414 -13.502 -0.698 4.106 1.00 0.00 C ATOM 1495 C ASP B 414 -12.193 -0.577 3.381 1.00 0.00 C ATOM 1496 O ASP B 414 -11.121 -0.525 3.983 1.00 0.00 O ATOM 1497 CB ASP B 414 -14.391 0.522 3.834 1.00 0.00 C ATOM 1498 CG ASP B 414 -13.789 1.844 4.292 1.00 0.00 C ATOM 1499 OD1 ASP B 414 -12.610 2.112 4.004 1.00 0.00 O ATOM 1500 OD2 ASP B 414 -14.509 2.631 4.938 1.00 0.00 O ATOM 0 H ASP B 414 -12.405 -0.393 5.841 1.00 0.00 H new ATOM 0 HA ASP B 414 -14.023 -1.583 3.740 1.00 0.00 H new ATOM 0 HB2 ASP B 414 -14.595 0.579 2.765 1.00 0.00 H new ATOM 0 HB3 ASP B 414 -15.349 0.379 4.334 1.00 0.00 H new ATOM 1505 N ALA B 415 -12.302 -0.539 2.081 1.00 0.00 N ATOM 1506 CA ALA B 415 -11.161 -0.538 1.210 1.00 0.00 C ATOM 1507 C ALA B 415 -10.393 0.760 1.312 1.00 0.00 C ATOM 1508 O ALA B 415 -9.248 0.848 0.898 1.00 0.00 O ATOM 1509 CB ALA B 415 -11.633 -0.708 -0.196 1.00 0.00 C ATOM 0 H ALA B 415 -13.197 -0.508 1.592 1.00 0.00 H new ATOM 0 HA ALA B 415 -10.500 -1.354 1.503 1.00 0.00 H new ATOM 0 HB1 ALA B 415 -10.776 -0.709 -0.870 1.00 0.00 H new ATOM 0 HB2 ALA B 415 -12.168 -1.653 -0.288 1.00 0.00 H new ATOM 0 HB3 ALA B 415 -12.299 0.114 -0.458 1.00 0.00 H new ATOM 1515 N GLN B 416 -11.024 1.777 1.842 1.00 0.00 N ATOM 1516 CA GLN B 416 -10.392 3.067 1.905 1.00 0.00 C ATOM 1517 C GLN B 416 -9.523 3.157 3.156 1.00 0.00 C ATOM 1518 O GLN B 416 -8.599 3.960 3.220 1.00 0.00 O ATOM 1519 CB GLN B 416 -11.438 4.174 1.830 1.00 0.00 C ATOM 1520 CG GLN B 416 -12.134 4.234 0.471 1.00 0.00 C ATOM 1521 CD GLN B 416 -13.368 3.351 0.370 1.00 0.00 C ATOM 1522 OE1 GLN B 416 -14.054 3.083 1.358 1.00 0.00 O ATOM 1523 NE2 GLN B 416 -13.667 2.908 -0.843 1.00 0.00 N ATOM 0 H GLN B 416 -11.966 1.737 2.232 1.00 0.00 H new ATOM 0 HA GLN B 416 -9.735 3.200 1.046 1.00 0.00 H new ATOM 0 HB2 GLN B 416 -12.184 4.017 2.609 1.00 0.00 H new ATOM 0 HB3 GLN B 416 -10.962 5.133 2.033 1.00 0.00 H new ATOM 0 HG2 GLN B 416 -12.420 5.266 0.266 1.00 0.00 H new ATOM 0 HG3 GLN B 416 -11.425 3.940 -0.303 1.00 0.00 H new ATOM 0 HE21 GLN B 416 -13.073 3.152 -1.636 1.00 0.00 H new ATOM 0 HE22 GLN B 416 -14.491 2.323 -0.984 1.00 0.00 H new ATOM 1532 N GLU B 417 -9.848 2.333 4.155 1.00 0.00 N ATOM 1533 CA GLU B 417 -8.872 1.938 5.181 1.00 0.00 C ATOM 1534 C GLU B 417 -7.692 1.313 4.475 1.00 0.00 C ATOM 1535 O GLU B 417 -6.530 1.684 4.672 1.00 0.00 O ATOM 1536 CB GLU B 417 -9.452 0.871 6.115 1.00 0.00 C ATOM 1537 CG GLU B 417 -10.044 1.377 7.419 1.00 0.00 C ATOM 1538 CD GLU B 417 -9.088 2.225 8.231 1.00 0.00 C ATOM 1539 OE1 GLU B 417 -9.012 3.447 7.976 1.00 0.00 O ATOM 1540 OE2 GLU B 417 -8.430 1.681 9.143 1.00 0.00 O ATOM 0 H GLU B 417 -10.775 1.926 4.278 1.00 0.00 H new ATOM 0 HA GLU B 417 -8.599 2.819 5.762 1.00 0.00 H new ATOM 0 HB2 GLU B 417 -10.226 0.326 5.575 1.00 0.00 H new ATOM 0 HB3 GLU B 417 -8.664 0.156 6.350 1.00 0.00 H new ATOM 0 HG2 GLU B 417 -10.938 1.961 7.200 1.00 0.00 H new ATOM 0 HG3 GLU B 417 -10.360 0.524 8.020 1.00 0.00 H new ATOM 1547 N PHE B 418 -8.045 0.364 3.626 1.00 0.00 N ATOM 1548 CA PHE B 418 -7.105 -0.432 2.890 1.00 0.00 C ATOM 1549 C PHE B 418 -6.101 0.411 2.118 1.00 0.00 C ATOM 1550 O PHE B 418 -4.903 0.394 2.401 1.00 0.00 O ATOM 1551 CB PHE B 418 -7.867 -1.359 1.951 1.00 0.00 C ATOM 1552 CG PHE B 418 -7.002 -1.963 0.908 1.00 0.00 C ATOM 1553 CD1 PHE B 418 -6.184 -3.005 1.235 1.00 0.00 C ATOM 1554 CD2 PHE B 418 -7.002 -1.484 -0.391 1.00 0.00 C ATOM 1555 CE1 PHE B 418 -5.377 -3.572 0.307 1.00 0.00 C ATOM 1556 CE2 PHE B 418 -6.187 -2.051 -1.342 1.00 0.00 C ATOM 1557 CZ PHE B 418 -5.368 -3.099 -0.992 1.00 0.00 C ATOM 0 H PHE B 418 -9.018 0.128 3.432 1.00 0.00 H new ATOM 0 HA PHE B 418 -6.526 -1.017 3.604 1.00 0.00 H new ATOM 0 HB2 PHE B 418 -8.334 -2.153 2.533 1.00 0.00 H new ATOM 0 HB3 PHE B 418 -8.671 -0.801 1.471 1.00 0.00 H new ATOM 0 HD1 PHE B 418 -6.180 -3.382 2.247 1.00 0.00 H new ATOM 0 HD2 PHE B 418 -7.646 -0.660 -0.659 1.00 0.00 H new ATOM 0 HE1 PHE B 418 -4.738 -4.397 0.583 1.00 0.00 H new ATOM 0 HE2 PHE B 418 -6.190 -1.677 -2.355 1.00 0.00 H new ATOM 0 HZ PHE B 418 -4.720 -3.551 -1.729 1.00 0.00 H new ATOM 1567 N GLY B 419 -6.598 1.152 1.154 1.00 0.00 N ATOM 1568 CA GLY B 419 -5.733 1.902 0.277 1.00 0.00 C ATOM 1569 C GLY B 419 -5.106 3.082 0.950 1.00 0.00 C ATOM 1570 O GLY B 419 -4.158 3.664 0.429 1.00 0.00 O ATOM 0 H GLY B 419 -7.594 1.250 0.959 1.00 0.00 H new ATOM 0 HA2 GLY B 419 -4.949 1.246 -0.100 1.00 0.00 H new ATOM 0 HA3 GLY B 419 -6.305 2.243 -0.585 1.00 0.00 H new ATOM 1574 N ALA B 420 -5.620 3.426 2.110 1.00 0.00 N ATOM 1575 CA ALA B 420 -5.003 4.434 2.926 1.00 0.00 C ATOM 1576 C ALA B 420 -3.621 3.958 3.339 1.00 0.00 C ATOM 1577 O ALA B 420 -2.663 4.730 3.393 1.00 0.00 O ATOM 1578 CB ALA B 420 -5.868 4.712 4.142 1.00 0.00 C ATOM 0 H ALA B 420 -6.467 3.018 2.506 1.00 0.00 H new ATOM 0 HA ALA B 420 -4.903 5.362 2.363 1.00 0.00 H new ATOM 0 HB1 ALA B 420 -5.395 5.477 4.758 1.00 0.00 H new ATOM 0 HB2 ALA B 420 -6.849 5.061 3.819 1.00 0.00 H new ATOM 0 HB3 ALA B 420 -5.982 3.798 4.724 1.00 0.00 H new ATOM 1584 N ASP B 421 -3.527 2.665 3.601 1.00 0.00 N ATOM 1585 CA ASP B 421 -2.276 2.039 3.970 1.00 0.00 C ATOM 1586 C ASP B 421 -1.463 1.630 2.739 1.00 0.00 C ATOM 1587 O ASP B 421 -0.240 1.632 2.782 1.00 0.00 O ATOM 1588 CB ASP B 421 -2.565 0.866 4.887 1.00 0.00 C ATOM 1589 CG ASP B 421 -2.806 1.350 6.304 1.00 0.00 C ATOM 1590 OD1 ASP B 421 -1.868 1.865 6.937 1.00 0.00 O ATOM 1591 OD2 ASP B 421 -3.949 1.255 6.780 1.00 0.00 O ATOM 0 H ASP B 421 -4.318 2.023 3.563 1.00 0.00 H new ATOM 0 HA ASP B 421 -1.657 2.757 4.507 1.00 0.00 H new ATOM 0 HB2 ASP B 421 -3.439 0.322 4.528 1.00 0.00 H new ATOM 0 HB3 ASP B 421 -1.727 0.169 4.871 1.00 0.00 H new ATOM 1596 N VAL B 422 -2.107 1.290 1.627 1.00 0.00 N ATOM 1597 CA VAL B 422 -1.377 1.147 0.392 1.00 0.00 C ATOM 1598 C VAL B 422 -0.680 2.455 0.070 1.00 0.00 C ATOM 1599 O VAL B 422 0.514 2.485 -0.221 1.00 0.00 O ATOM 1600 CB VAL B 422 -2.286 0.795 -0.783 1.00 0.00 C ATOM 1601 CG1 VAL B 422 -1.425 0.434 -1.933 1.00 0.00 C ATOM 1602 CG2 VAL B 422 -3.174 -0.372 -0.472 1.00 0.00 C ATOM 0 H VAL B 422 -3.110 1.114 1.564 1.00 0.00 H new ATOM 0 HA VAL B 422 -0.664 0.335 0.531 1.00 0.00 H new ATOM 0 HB VAL B 422 -2.920 1.654 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL B 422 -2.050 0.177 -2.789 1.00 0.00 H new ATOM 0 HG12 VAL B 422 -0.787 1.280 -2.190 1.00 0.00 H new ATOM 0 HG13 VAL B 422 -0.804 -0.421 -1.668 1.00 0.00 H new ATOM 0 HG21 VAL B 422 -3.804 -0.589 -1.334 1.00 0.00 H new ATOM 0 HG22 VAL B 422 -2.562 -1.244 -0.241 1.00 0.00 H new ATOM 0 HG23 VAL B 422 -3.802 -0.133 0.386 1.00 0.00 H new ATOM 1612 N ARG B 423 -1.442 3.538 0.144 1.00 0.00 N ATOM 1613 CA ARG B 423 -0.897 4.867 -0.061 1.00 0.00 C ATOM 1614 C ARG B 423 0.196 5.159 0.949 1.00 0.00 C ATOM 1615 O ARG B 423 1.138 5.874 0.637 1.00 0.00 O ATOM 1616 CB ARG B 423 -1.981 5.941 0.018 1.00 0.00 C ATOM 1617 CG ARG B 423 -2.420 6.445 -1.343 1.00 0.00 C ATOM 1618 CD ARG B 423 -3.464 5.550 -1.981 1.00 0.00 C ATOM 1619 NE ARG B 423 -3.746 5.946 -3.362 1.00 0.00 N ATOM 1620 CZ ARG B 423 -4.963 5.957 -3.906 1.00 0.00 C ATOM 1621 NH1 ARG B 423 -6.026 5.627 -3.183 1.00 0.00 N ATOM 1622 NH2 ARG B 423 -5.120 6.304 -5.176 1.00 0.00 N ATOM 0 H ARG B 423 -2.442 3.519 0.345 1.00 0.00 H new ATOM 0 HA ARG B 423 -0.471 4.891 -1.064 1.00 0.00 H new ATOM 0 HB2 ARG B 423 -2.845 5.538 0.546 1.00 0.00 H new ATOM 0 HB3 ARG B 423 -1.611 6.780 0.607 1.00 0.00 H new ATOM 0 HG2 ARG B 423 -2.822 7.453 -1.242 1.00 0.00 H new ATOM 0 HG3 ARG B 423 -1.553 6.512 -2.000 1.00 0.00 H new ATOM 0 HD2 ARG B 423 -3.118 4.517 -1.962 1.00 0.00 H new ATOM 0 HD3 ARG B 423 -4.383 5.589 -1.396 1.00 0.00 H new ATOM 0 HE ARG B 423 -2.960 6.232 -3.946 1.00 0.00 H new ATOM 0 HH11 ARG B 423 -5.915 5.363 -2.204 1.00 0.00 H new ATOM 0 HH12 ARG B 423 -6.954 5.638 -3.606 1.00 0.00 H new ATOM 0 HH21 ARG B 423 -4.309 6.563 -5.738 1.00 0.00 H new ATOM 0 HH22 ARG B 423 -6.052 6.312 -5.591 1.00 0.00 H new ATOM 1636 N LEU B 424 0.064 4.612 2.155 1.00 0.00 N ATOM 1637 CA LEU B 424 1.145 4.658 3.130 1.00 0.00 C ATOM 1638 C LEU B 424 2.424 4.131 2.508 1.00 0.00 C ATOM 1639 O LEU B 424 3.322 4.901 2.190 1.00 0.00 O ATOM 1640 CB LEU B 424 0.859 3.787 4.339 1.00 0.00 C ATOM 1641 CG LEU B 424 0.537 4.469 5.667 1.00 0.00 C ATOM 1642 CD1 LEU B 424 0.962 3.584 6.790 1.00 0.00 C ATOM 1643 CD2 LEU B 424 1.248 5.785 5.804 1.00 0.00 C ATOM 0 H LEU B 424 -0.778 4.134 2.477 1.00 0.00 H new ATOM 0 HA LEU B 424 1.241 5.699 3.439 1.00 0.00 H new ATOM 0 HB2 LEU B 424 0.021 3.136 4.088 1.00 0.00 H new ATOM 0 HB3 LEU B 424 1.725 3.145 4.497 1.00 0.00 H new ATOM 0 HG LEU B 424 -0.537 4.651 5.695 1.00 0.00 H new ATOM 0 HD11 LEU B 424 0.734 4.067 7.740 1.00 0.00 H new ATOM 0 HD12 LEU B 424 0.428 2.636 6.728 1.00 0.00 H new ATOM 0 HD13 LEU B 424 2.035 3.402 6.724 1.00 0.00 H new ATOM 0 HD21 LEU B 424 0.993 6.238 6.762 1.00 0.00 H new ATOM 0 HD22 LEU B 424 2.325 5.624 5.754 1.00 0.00 H new ATOM 0 HD23 LEU B 424 0.943 6.449 4.995 1.00 0.00 H new ATOM 1655 N MET B 425 2.472 2.811 2.306 1.00 0.00 N ATOM 1656 CA MET B 425 3.699 2.137 1.884 1.00 0.00 C ATOM 1657 C MET B 425 4.249 2.746 0.616 1.00 0.00 C ATOM 1658 O MET B 425 5.461 2.850 0.432 1.00 0.00 O ATOM 1659 CB MET B 425 3.483 0.619 1.696 1.00 0.00 C ATOM 1660 CG MET B 425 2.452 0.244 0.683 1.00 0.00 C ATOM 1661 SD MET B 425 1.496 -1.182 1.195 1.00 0.00 S ATOM 1662 CE MET B 425 0.799 -1.574 -0.383 1.00 0.00 C ATOM 0 H MET B 425 1.673 2.189 2.429 1.00 0.00 H new ATOM 0 HA MET B 425 4.428 2.278 2.682 1.00 0.00 H new ATOM 0 HB2 MET B 425 4.432 0.166 1.410 1.00 0.00 H new ATOM 0 HB3 MET B 425 3.200 0.187 2.656 1.00 0.00 H new ATOM 0 HG2 MET B 425 1.783 1.088 0.517 1.00 0.00 H new ATOM 0 HG3 MET B 425 2.939 0.031 -0.269 1.00 0.00 H new ATOM 0 HE1 MET B 425 -0.098 -2.178 -0.245 1.00 0.00 H new ATOM 0 HE2 MET B 425 0.539 -0.653 -0.905 1.00 0.00 H new ATOM 0 HE3 MET B 425 1.525 -2.133 -0.973 1.00 0.00 H new ATOM 1672 N PHE B 426 3.350 3.155 -0.247 1.00 0.00 N ATOM 1673 CA PHE B 426 3.731 3.846 -1.454 1.00 0.00 C ATOM 1674 C PHE B 426 4.369 5.195 -1.124 1.00 0.00 C ATOM 1675 O PHE B 426 5.473 5.499 -1.579 1.00 0.00 O ATOM 1676 CB PHE B 426 2.512 4.049 -2.332 1.00 0.00 C ATOM 1677 CG PHE B 426 1.947 2.787 -2.929 1.00 0.00 C ATOM 1678 CD1 PHE B 426 2.471 1.542 -2.611 1.00 0.00 C ATOM 1679 CD2 PHE B 426 0.875 2.851 -3.798 1.00 0.00 C ATOM 1680 CE1 PHE B 426 1.932 0.393 -3.148 1.00 0.00 C ATOM 1681 CE2 PHE B 426 0.337 1.702 -4.341 1.00 0.00 C ATOM 1682 CZ PHE B 426 0.868 0.472 -4.011 1.00 0.00 C ATOM 0 H PHE B 426 2.345 3.020 -0.134 1.00 0.00 H new ATOM 0 HA PHE B 426 4.464 3.241 -1.987 1.00 0.00 H new ATOM 0 HB2 PHE B 426 1.734 4.536 -1.743 1.00 0.00 H new ATOM 0 HB3 PHE B 426 2.774 4.731 -3.141 1.00 0.00 H new ATOM 0 HD1 PHE B 426 3.311 1.473 -1.935 1.00 0.00 H new ATOM 0 HD2 PHE B 426 0.453 3.811 -4.055 1.00 0.00 H new ATOM 0 HE1 PHE B 426 2.347 -0.570 -2.890 1.00 0.00 H new ATOM 0 HE2 PHE B 426 -0.498 1.765 -5.023 1.00 0.00 H new ATOM 0 HZ PHE B 426 0.446 -0.429 -4.432 1.00 0.00 H new ATOM 1692 N SER B 427 3.672 5.991 -0.319 1.00 0.00 N ATOM 1693 CA SER B 427 4.150 7.310 0.073 1.00 0.00 C ATOM 1694 C SER B 427 5.496 7.212 0.778 1.00 0.00 C ATOM 1695 O SER B 427 6.453 7.849 0.356 1.00 0.00 O ATOM 1696 CB SER B 427 3.134 8.005 0.985 1.00 0.00 C ATOM 1697 OG SER B 427 3.584 9.290 1.381 1.00 0.00 O ATOM 0 H SER B 427 2.766 5.741 0.077 1.00 0.00 H new ATOM 0 HA SER B 427 4.273 7.903 -0.833 1.00 0.00 H new ATOM 0 HB2 SER B 427 2.180 8.097 0.465 1.00 0.00 H new ATOM 0 HB3 SER B 427 2.958 7.392 1.869 1.00 0.00 H new ATOM 0 HG SER B 427 2.913 9.707 1.961 1.00 0.00 H new ATOM 1703 N ASN B 428 5.564 6.393 1.835 1.00 0.00 N ATOM 1704 CA ASN B 428 6.799 6.211 2.615 1.00 0.00 C ATOM 1705 C ASN B 428 7.937 5.847 1.689 1.00 0.00 C ATOM 1706 O ASN B 428 9.080 6.241 1.917 1.00 0.00 O ATOM 1707 CB ASN B 428 6.656 5.104 3.665 1.00 0.00 C ATOM 1708 CG ASN B 428 5.264 4.950 4.223 1.00 0.00 C ATOM 1709 OD1 ASN B 428 4.808 3.833 4.449 1.00 0.00 O ATOM 1710 ND2 ASN B 428 4.583 6.059 4.477 1.00 0.00 N ATOM 0 H ASN B 428 4.775 5.842 2.173 1.00 0.00 H new ATOM 0 HA ASN B 428 7.000 7.152 3.127 1.00 0.00 H new ATOM 0 HB2 ASN B 428 6.963 4.157 3.221 1.00 0.00 H new ATOM 0 HB3 ASN B 428 7.343 5.308 4.486 1.00 0.00 H new ATOM 0 HD21 ASN B 428 3.645 6.002 4.874 1.00 0.00 H new ATOM 0 HD22 ASN B 428 4.997 6.969 4.275 1.00 0.00 H new ATOM 1717 N CYS B 429 7.620 5.124 0.628 1.00 0.00 N ATOM 1718 CA CYS B 429 8.635 4.700 -0.297 1.00 0.00 C ATOM 1719 C CYS B 429 9.271 5.906 -1.000 1.00 0.00 C ATOM 1720 O CYS B 429 10.446 6.158 -0.813 1.00 0.00 O ATOM 1721 CB CYS B 429 8.092 3.691 -1.308 1.00 0.00 C ATOM 1722 SG CYS B 429 9.333 3.087 -2.472 1.00 0.00 S ATOM 0 H CYS B 429 6.673 4.825 0.394 1.00 0.00 H new ATOM 0 HA CYS B 429 9.413 4.194 0.275 1.00 0.00 H new ATOM 0 HB2 CYS B 429 7.669 2.843 -0.770 1.00 0.00 H new ATOM 0 HB3 CYS B 429 7.278 4.152 -1.866 1.00 0.00 H new ATOM 0 HG CYS B 429 10.478 3.647 -2.215 1.00 0.00 H new ATOM 1728 N TYR B 430 8.507 6.686 -1.767 1.00 0.00 N ATOM 1729 CA TYR B 430 9.100 7.836 -2.474 1.00 0.00 C ATOM 1730 C TYR B 430 9.438 8.946 -1.482 1.00 0.00 C ATOM 1731 O TYR B 430 10.127 9.916 -1.806 1.00 0.00 O ATOM 1732 CB TYR B 430 8.188 8.401 -3.569 1.00 0.00 C ATOM 1733 CG TYR B 430 7.001 7.543 -3.934 1.00 0.00 C ATOM 1734 CD1 TYR B 430 7.157 6.232 -4.374 1.00 0.00 C ATOM 1735 CD2 TYR B 430 5.715 8.062 -3.852 1.00 0.00 C ATOM 1736 CE1 TYR B 430 6.055 5.470 -4.718 1.00 0.00 C ATOM 1737 CE2 TYR B 430 4.617 7.302 -4.191 1.00 0.00 C ATOM 1738 CZ TYR B 430 4.794 6.010 -4.624 1.00 0.00 C ATOM 1739 OH TYR B 430 3.704 5.252 -4.969 1.00 0.00 O ATOM 0 H TYR B 430 7.507 6.554 -1.916 1.00 0.00 H new ATOM 0 HA TYR B 430 10.005 7.468 -2.958 1.00 0.00 H new ATOM 0 HB2 TYR B 430 7.824 9.376 -3.246 1.00 0.00 H new ATOM 0 HB3 TYR B 430 8.785 8.565 -4.466 1.00 0.00 H new ATOM 0 HD1 TYR B 430 8.147 5.806 -4.447 1.00 0.00 H new ATOM 0 HD2 TYR B 430 5.574 9.079 -3.517 1.00 0.00 H new ATOM 0 HE1 TYR B 430 6.185 4.454 -5.059 1.00 0.00 H new ATOM 0 HE2 TYR B 430 3.624 7.719 -4.117 1.00 0.00 H new ATOM 0 HH TYR B 430 3.966 4.309 -5.025 1.00 0.00 H new ATOM 1749 N LYS B 431 8.919 8.797 -0.280 1.00 0.00 N ATOM 1750 CA LYS B 431 9.231 9.682 0.826 1.00 0.00 C ATOM 1751 C LYS B 431 10.695 9.497 1.211 1.00 0.00 C ATOM 1752 O LYS B 431 11.426 10.454 1.465 1.00 0.00 O ATOM 1753 CB LYS B 431 8.315 9.319 1.994 1.00 0.00 C ATOM 1754 CG LYS B 431 8.190 10.370 3.064 1.00 0.00 C ATOM 1755 CD LYS B 431 9.190 10.148 4.158 1.00 0.00 C ATOM 1756 CE LYS B 431 8.651 9.134 5.148 1.00 0.00 C ATOM 1757 NZ LYS B 431 7.419 9.643 5.799 1.00 0.00 N ATOM 0 H LYS B 431 8.264 8.053 -0.041 1.00 0.00 H new ATOM 0 HA LYS B 431 9.074 10.725 0.552 1.00 0.00 H new ATOM 0 HB2 LYS B 431 7.321 9.104 1.602 1.00 0.00 H new ATOM 0 HB3 LYS B 431 8.683 8.401 2.451 1.00 0.00 H new ATOM 0 HG2 LYS B 431 8.338 11.358 2.627 1.00 0.00 H new ATOM 0 HG3 LYS B 431 7.182 10.353 3.479 1.00 0.00 H new ATOM 0 HD2 LYS B 431 10.131 9.794 3.737 1.00 0.00 H new ATOM 0 HD3 LYS B 431 9.402 11.089 4.666 1.00 0.00 H new ATOM 0 HE2 LYS B 431 8.437 8.196 4.636 1.00 0.00 H new ATOM 0 HE3 LYS B 431 9.406 8.919 5.904 1.00 0.00 H new ATOM 0 HZ1 LYS B 431 7.345 9.248 6.758 1.00 0.00 H new ATOM 0 HZ2 LYS B 431 7.459 10.681 5.854 1.00 0.00 H new ATOM 0 HZ3 LYS B 431 6.589 9.357 5.242 1.00 0.00 H new ATOM 1771 N TYR B 432 11.096 8.238 1.240 1.00 0.00 N ATOM 1772 CA TYR B 432 12.467 7.844 1.513 1.00 0.00 C ATOM 1773 C TYR B 432 13.292 7.922 0.233 1.00 0.00 C ATOM 1774 O TYR B 432 14.433 8.387 0.214 1.00 0.00 O ATOM 1775 CB TYR B 432 12.466 6.398 2.032 1.00 0.00 C ATOM 1776 CG TYR B 432 13.791 5.922 2.573 1.00 0.00 C ATOM 1777 CD1 TYR B 432 14.983 6.146 1.905 1.00 0.00 C ATOM 1778 CD2 TYR B 432 13.840 5.226 3.754 1.00 0.00 C ATOM 1779 CE1 TYR B 432 16.180 5.695 2.409 1.00 0.00 C ATOM 1780 CE2 TYR B 432 15.024 4.771 4.259 1.00 0.00 C ATOM 1781 CZ TYR B 432 16.199 5.009 3.589 1.00 0.00 C ATOM 1782 OH TYR B 432 17.394 4.561 4.105 1.00 0.00 O ATOM 0 H TYR B 432 10.470 7.450 1.072 1.00 0.00 H new ATOM 0 HA TYR B 432 12.902 8.511 2.257 1.00 0.00 H new ATOM 0 HB2 TYR B 432 11.715 6.309 2.817 1.00 0.00 H new ATOM 0 HB3 TYR B 432 12.161 5.736 1.222 1.00 0.00 H new ATOM 0 HD1 TYR B 432 14.972 6.686 0.970 1.00 0.00 H new ATOM 0 HD2 TYR B 432 12.925 5.034 4.294 1.00 0.00 H new ATOM 0 HE1 TYR B 432 17.100 5.882 1.875 1.00 0.00 H new ATOM 0 HE2 TYR B 432 15.037 4.222 5.189 1.00 0.00 H new ATOM 0 HH TYR B 432 17.854 5.300 4.555 1.00 0.00 H new ATOM 1792 N ASN B 433 12.701 7.458 -0.832 1.00 0.00 N ATOM 1793 CA ASN B 433 13.445 7.145 -2.027 1.00 0.00 C ATOM 1794 C ASN B 433 13.258 8.148 -3.145 1.00 0.00 C ATOM 1795 O ASN B 433 12.179 8.697 -3.350 1.00 0.00 O ATOM 1796 CB ASN B 433 13.026 5.778 -2.531 1.00 0.00 C ATOM 1797 CG ASN B 433 13.293 4.689 -1.536 1.00 0.00 C ATOM 1798 OD1 ASN B 433 14.343 4.084 -1.561 1.00 0.00 O ATOM 1799 ND2 ASN B 433 12.344 4.434 -0.658 1.00 0.00 N ATOM 0 H ASN B 433 11.698 7.286 -0.900 1.00 0.00 H new ATOM 0 HA ASN B 433 14.498 7.170 -1.748 1.00 0.00 H new ATOM 0 HB2 ASN B 433 11.963 5.793 -2.770 1.00 0.00 H new ATOM 0 HB3 ASN B 433 13.558 5.558 -3.457 1.00 0.00 H new ATOM 0 HD21 ASN B 433 12.477 3.701 0.039 1.00 0.00 H new ATOM 0 HD22 ASN B 433 11.476 4.970 -0.675 1.00 0.00 H new ATOM 1806 N PRO B 434 14.342 8.369 -3.889 1.00 0.00 N ATOM 1807 CA PRO B 434 14.311 9.058 -5.179 1.00 0.00 C ATOM 1808 C PRO B 434 13.551 8.218 -6.197 1.00 0.00 C ATOM 1809 O PRO B 434 13.575 6.995 -6.115 1.00 0.00 O ATOM 1810 CB PRO B 434 15.794 9.131 -5.562 1.00 0.00 C ATOM 1811 CG PRO B 434 16.428 8.014 -4.816 1.00 0.00 C ATOM 1812 CD PRO B 434 15.702 7.952 -3.522 1.00 0.00 C ATOM 0 HA PRO B 434 13.822 10.032 -5.143 1.00 0.00 H new ATOM 0 HB2 PRO B 434 15.932 9.018 -6.637 1.00 0.00 H new ATOM 0 HB3 PRO B 434 16.229 10.091 -5.284 1.00 0.00 H new ATOM 0 HG2 PRO B 434 16.340 7.075 -5.363 1.00 0.00 H new ATOM 0 HG3 PRO B 434 17.492 8.196 -4.663 1.00 0.00 H new ATOM 0 HD2 PRO B 434 15.716 6.948 -3.098 1.00 0.00 H new ATOM 0 HD3 PRO B 434 16.142 8.617 -2.779 1.00 0.00 H new ATOM 1820 N PRO B 435 12.881 8.838 -7.179 1.00 0.00 N ATOM 1821 CA PRO B 435 12.089 8.100 -8.172 1.00 0.00 C ATOM 1822 C PRO B 435 12.961 7.358 -9.181 1.00 0.00 C ATOM 1823 O PRO B 435 12.460 6.708 -10.098 1.00 0.00 O ATOM 1824 CB PRO B 435 11.265 9.192 -8.851 1.00 0.00 C ATOM 1825 CG PRO B 435 12.071 10.437 -8.694 1.00 0.00 C ATOM 1826 CD PRO B 435 12.832 10.296 -7.401 1.00 0.00 C ATOM 0 HA PRO B 435 11.480 7.320 -7.714 1.00 0.00 H new ATOM 0 HB2 PRO B 435 11.095 8.962 -9.903 1.00 0.00 H new ATOM 0 HB3 PRO B 435 10.285 9.295 -8.385 1.00 0.00 H new ATOM 0 HG2 PRO B 435 12.754 10.565 -9.534 1.00 0.00 H new ATOM 0 HG3 PRO B 435 11.426 11.316 -8.671 1.00 0.00 H new ATOM 0 HD2 PRO B 435 13.832 10.723 -7.477 1.00 0.00 H new ATOM 0 HD3 PRO B 435 12.328 10.809 -6.582 1.00 0.00 H new ATOM 1834 N ASP B 436 14.264 7.457 -8.991 1.00 0.00 N ATOM 1835 CA ASP B 436 15.224 6.682 -9.762 1.00 0.00 C ATOM 1836 C ASP B 436 15.437 5.329 -9.097 1.00 0.00 C ATOM 1837 O ASP B 436 15.957 4.390 -9.701 1.00 0.00 O ATOM 1838 CB ASP B 436 16.546 7.441 -9.854 1.00 0.00 C ATOM 1839 CG ASP B 436 17.689 6.607 -10.404 1.00 0.00 C ATOM 1840 OD1 ASP B 436 17.863 6.566 -11.641 1.00 0.00 O ATOM 1841 OD2 ASP B 436 18.433 6.005 -9.600 1.00 0.00 O ATOM 0 H ASP B 436 14.688 8.075 -8.299 1.00 0.00 H new ATOM 0 HA ASP B 436 14.840 6.525 -10.770 1.00 0.00 H new ATOM 0 HB2 ASP B 436 16.409 8.317 -10.488 1.00 0.00 H new ATOM 0 HB3 ASP B 436 16.817 7.804 -8.863 1.00 0.00 H new ATOM 1846 N HIS B 437 14.983 5.230 -7.854 1.00 0.00 N ATOM 1847 CA HIS B 437 15.288 4.091 -7.015 1.00 0.00 C ATOM 1848 C HIS B 437 14.592 2.822 -7.482 1.00 0.00 C ATOM 1849 O HIS B 437 13.570 2.853 -8.157 1.00 0.00 O ATOM 1850 CB HIS B 437 14.885 4.371 -5.578 1.00 0.00 C ATOM 1851 CG HIS B 437 15.616 3.542 -4.577 1.00 0.00 C ATOM 1852 ND1 HIS B 437 15.667 2.173 -4.598 1.00 0.00 N ATOM 1853 CD2 HIS B 437 16.309 3.913 -3.507 1.00 0.00 C ATOM 1854 CE1 HIS B 437 16.354 1.745 -3.567 1.00 0.00 C ATOM 1855 NE2 HIS B 437 16.773 2.780 -2.893 1.00 0.00 N ATOM 0 H HIS B 437 14.397 5.935 -7.407 1.00 0.00 H new ATOM 0 HA HIS B 437 16.364 3.933 -7.084 1.00 0.00 H new ATOM 0 HB2 HIS B 437 15.059 5.425 -5.360 1.00 0.00 H new ATOM 0 HB3 HIS B 437 13.815 4.196 -5.470 1.00 0.00 H new ATOM 0 HD2 HIS B 437 16.477 4.928 -3.179 1.00 0.00 H new ATOM 0 HE1 HIS B 437 16.541 0.711 -3.318 1.00 0.00 H new ATOM 0 HE2 HIS B 437 17.349 2.751 -2.051 1.00 0.00 H new ATOM 1864 N GLU B 438 15.174 1.707 -7.107 1.00 0.00 N ATOM 1865 CA GLU B 438 14.555 0.425 -7.238 1.00 0.00 C ATOM 1866 C GLU B 438 13.270 0.300 -6.380 1.00 0.00 C ATOM 1867 O GLU B 438 12.247 -0.137 -6.877 1.00 0.00 O ATOM 1868 CB GLU B 438 15.580 -0.635 -6.870 1.00 0.00 C ATOM 1869 CG GLU B 438 14.964 -1.905 -6.397 1.00 0.00 C ATOM 1870 CD GLU B 438 14.340 -2.699 -7.529 1.00 0.00 C ATOM 1871 OE1 GLU B 438 13.400 -2.208 -8.176 1.00 0.00 O ATOM 1872 OE2 GLU B 438 14.823 -3.811 -7.804 1.00 0.00 O ATOM 0 H GLU B 438 16.107 1.673 -6.696 1.00 0.00 H new ATOM 0 HA GLU B 438 14.231 0.287 -8.270 1.00 0.00 H new ATOM 0 HB2 GLU B 438 16.206 -0.843 -7.738 1.00 0.00 H new ATOM 0 HB3 GLU B 438 16.235 -0.244 -6.091 1.00 0.00 H new ATOM 0 HG2 GLU B 438 15.723 -2.513 -5.905 1.00 0.00 H new ATOM 0 HG3 GLU B 438 14.202 -1.681 -5.650 1.00 0.00 H new ATOM 1879 N VAL B 439 13.301 0.681 -5.097 1.00 0.00 N ATOM 1880 CA VAL B 439 12.104 0.529 -4.255 1.00 0.00 C ATOM 1881 C VAL B 439 10.957 1.292 -4.841 1.00 0.00 C ATOM 1882 O VAL B 439 9.838 0.803 -4.895 1.00 0.00 O ATOM 1883 CB VAL B 439 12.288 0.997 -2.824 1.00 0.00 C ATOM 1884 CG1 VAL B 439 11.368 0.261 -1.876 1.00 0.00 C ATOM 1885 CG2 VAL B 439 13.691 0.875 -2.481 1.00 0.00 C ATOM 0 H VAL B 439 14.113 1.084 -4.629 1.00 0.00 H new ATOM 0 HA VAL B 439 11.908 -0.543 -4.231 1.00 0.00 H new ATOM 0 HB VAL B 439 12.004 2.045 -2.729 1.00 0.00 H new ATOM 0 HG11 VAL B 439 11.528 0.622 -0.860 1.00 0.00 H new ATOM 0 HG12 VAL B 439 10.332 0.437 -2.165 1.00 0.00 H new ATOM 0 HG13 VAL B 439 11.581 -0.807 -1.919 1.00 0.00 H new ATOM 0 HG21 VAL B 439 13.845 1.207 -1.454 1.00 0.00 H new ATOM 0 HG22 VAL B 439 14.000 -0.166 -2.576 1.00 0.00 H new ATOM 0 HG23 VAL B 439 14.285 1.492 -3.155 1.00 0.00 H new ATOM 1895 N VAL B 440 11.248 2.507 -5.279 1.00 0.00 N ATOM 1896 CA VAL B 440 10.227 3.315 -5.910 1.00 0.00 C ATOM 1897 C VAL B 440 9.781 2.695 -7.220 1.00 0.00 C ATOM 1898 O VAL B 440 8.606 2.698 -7.541 1.00 0.00 O ATOM 1899 CB VAL B 440 10.645 4.760 -6.154 1.00 0.00 C ATOM 1900 CG1 VAL B 440 11.010 5.395 -4.861 1.00 0.00 C ATOM 1901 CG2 VAL B 440 11.780 4.833 -7.119 1.00 0.00 C ATOM 0 H VAL B 440 12.166 2.946 -5.210 1.00 0.00 H new ATOM 0 HA VAL B 440 9.400 3.338 -5.201 1.00 0.00 H new ATOM 0 HB VAL B 440 9.806 5.301 -6.593 1.00 0.00 H new ATOM 0 HG11 VAL B 440 11.309 6.429 -5.035 1.00 0.00 H new ATOM 0 HG12 VAL B 440 10.151 5.374 -4.190 1.00 0.00 H new ATOM 0 HG13 VAL B 440 11.838 4.849 -4.408 1.00 0.00 H new ATOM 0 HG21 VAL B 440 12.058 5.875 -7.275 1.00 0.00 H new ATOM 0 HG22 VAL B 440 12.633 4.286 -6.719 1.00 0.00 H new ATOM 0 HG23 VAL B 440 11.479 4.392 -8.069 1.00 0.00 H new ATOM 1911 N ALA B 441 10.743 2.192 -7.975 1.00 0.00 N ATOM 1912 CA ALA B 441 10.474 1.417 -9.181 1.00 0.00 C ATOM 1913 C ALA B 441 9.328 0.452 -8.931 1.00 0.00 C ATOM 1914 O ALA B 441 8.310 0.455 -9.627 1.00 0.00 O ATOM 1915 CB ALA B 441 11.725 0.636 -9.560 1.00 0.00 C ATOM 0 H ALA B 441 11.736 2.308 -7.771 1.00 0.00 H new ATOM 0 HA ALA B 441 10.199 2.091 -9.992 1.00 0.00 H new ATOM 0 HB1 ALA B 441 11.532 0.054 -10.461 1.00 0.00 H new ATOM 0 HB2 ALA B 441 12.545 1.330 -9.745 1.00 0.00 H new ATOM 0 HB3 ALA B 441 11.995 -0.036 -8.745 1.00 0.00 H new ATOM 1921 N MET B 442 9.510 -0.331 -7.889 1.00 0.00 N ATOM 1922 CA MET B 442 8.538 -1.312 -7.452 1.00 0.00 C ATOM 1923 C MET B 442 7.288 -0.606 -6.957 1.00 0.00 C ATOM 1924 O MET B 442 6.160 -0.967 -7.299 1.00 0.00 O ATOM 1925 CB MET B 442 9.179 -2.115 -6.336 1.00 0.00 C ATOM 1926 CG MET B 442 10.593 -2.499 -6.677 1.00 0.00 C ATOM 1927 SD MET B 442 10.824 -4.272 -6.835 1.00 0.00 S ATOM 1928 CE MET B 442 12.095 -4.491 -5.611 1.00 0.00 C ATOM 0 H MET B 442 10.351 -0.304 -7.312 1.00 0.00 H new ATOM 0 HA MET B 442 8.247 -1.971 -8.270 1.00 0.00 H new ATOM 0 HB2 MET B 442 9.171 -1.532 -5.415 1.00 0.00 H new ATOM 0 HB3 MET B 442 8.591 -3.014 -6.149 1.00 0.00 H new ATOM 0 HG2 MET B 442 10.878 -2.017 -7.612 1.00 0.00 H new ATOM 0 HG3 MET B 442 11.262 -2.119 -5.905 1.00 0.00 H new ATOM 0 HE1 MET B 442 12.933 -5.032 -6.050 1.00 0.00 H new ATOM 0 HE2 MET B 442 12.435 -3.516 -5.261 1.00 0.00 H new ATOM 0 HE3 MET B 442 11.697 -5.059 -4.771 1.00 0.00 H new ATOM 1938 N ALA B 443 7.530 0.421 -6.155 1.00 0.00 N ATOM 1939 CA ALA B 443 6.491 1.279 -5.608 1.00 0.00 C ATOM 1940 C ALA B 443 5.508 1.788 -6.671 1.00 0.00 C ATOM 1941 O ALA B 443 4.293 1.698 -6.499 1.00 0.00 O ATOM 1942 CB ALA B 443 7.155 2.455 -4.922 1.00 0.00 C ATOM 0 H ALA B 443 8.471 0.685 -5.862 1.00 0.00 H new ATOM 0 HA ALA B 443 5.906 0.687 -4.904 1.00 0.00 H new ATOM 0 HB1 ALA B 443 6.391 3.111 -4.505 1.00 0.00 H new ATOM 0 HB2 ALA B 443 7.799 2.093 -4.121 1.00 0.00 H new ATOM 0 HB3 ALA B 443 7.753 3.009 -5.646 1.00 0.00 H new ATOM 1948 N ARG B 444 6.043 2.326 -7.765 1.00 0.00 N ATOM 1949 CA ARG B 444 5.221 2.933 -8.808 1.00 0.00 C ATOM 1950 C ARG B 444 4.431 1.886 -9.581 1.00 0.00 C ATOM 1951 O ARG B 444 3.363 2.181 -10.120 1.00 0.00 O ATOM 1952 CB ARG B 444 6.072 3.759 -9.774 1.00 0.00 C ATOM 1953 CG ARG B 444 6.556 5.082 -9.197 1.00 0.00 C ATOM 1954 CD ARG B 444 8.057 5.073 -8.957 1.00 0.00 C ATOM 1955 NE ARG B 444 8.801 4.749 -10.169 1.00 0.00 N ATOM 1956 CZ ARG B 444 9.450 5.643 -10.913 1.00 0.00 C ATOM 1957 NH1 ARG B 444 9.435 6.929 -10.588 1.00 0.00 N ATOM 1958 NH2 ARG B 444 10.104 5.245 -11.994 1.00 0.00 N ATOM 0 H ARG B 444 7.045 2.354 -7.952 1.00 0.00 H new ATOM 0 HA ARG B 444 4.515 3.596 -8.308 1.00 0.00 H new ATOM 0 HB2 ARG B 444 6.937 3.168 -10.076 1.00 0.00 H new ATOM 0 HB3 ARG B 444 5.491 3.958 -10.675 1.00 0.00 H new ATOM 0 HG2 ARG B 444 6.301 5.892 -9.880 1.00 0.00 H new ATOM 0 HG3 ARG B 444 6.038 5.281 -8.259 1.00 0.00 H new ATOM 0 HD2 ARG B 444 8.371 6.049 -8.589 1.00 0.00 H new ATOM 0 HD3 ARG B 444 8.296 4.347 -8.180 1.00 0.00 H new ATOM 0 HE ARG B 444 8.826 3.774 -10.466 1.00 0.00 H new ATOM 0 HH11 ARG B 444 8.924 7.240 -9.762 1.00 0.00 H new ATOM 0 HH12 ARG B 444 9.935 7.606 -11.164 1.00 0.00 H new ATOM 0 HH21 ARG B 444 10.109 4.258 -12.253 1.00 0.00 H new ATOM 0 HH22 ARG B 444 10.603 5.925 -12.568 1.00 0.00 H new ATOM 1972 N LYS B 445 4.952 0.674 -9.645 1.00 0.00 N ATOM 1973 CA LYS B 445 4.242 -0.423 -10.277 1.00 0.00 C ATOM 1974 C LYS B 445 2.997 -0.770 -9.500 1.00 0.00 C ATOM 1975 O LYS B 445 1.903 -0.843 -10.059 1.00 0.00 O ATOM 1976 CB LYS B 445 5.148 -1.617 -10.366 1.00 0.00 C ATOM 1977 CG LYS B 445 6.306 -1.359 -11.249 1.00 0.00 C ATOM 1978 CD LYS B 445 7.423 -2.314 -10.984 1.00 0.00 C ATOM 1979 CE LYS B 445 7.374 -3.390 -12.007 1.00 0.00 C ATOM 1980 NZ LYS B 445 7.690 -2.902 -13.376 1.00 0.00 N ATOM 0 H LYS B 445 5.866 0.424 -9.266 1.00 0.00 H new ATOM 0 HA LYS B 445 3.942 -0.120 -11.280 1.00 0.00 H new ATOM 0 HB2 LYS B 445 5.502 -1.881 -9.369 1.00 0.00 H new ATOM 0 HB3 LYS B 445 4.587 -2.473 -10.742 1.00 0.00 H new ATOM 0 HG2 LYS B 445 5.996 -1.441 -12.291 1.00 0.00 H new ATOM 0 HG3 LYS B 445 6.657 -0.338 -11.101 1.00 0.00 H new ATOM 0 HD2 LYS B 445 8.382 -1.797 -11.024 1.00 0.00 H new ATOM 0 HD3 LYS B 445 7.331 -2.737 -9.984 1.00 0.00 H new ATOM 0 HE2 LYS B 445 8.079 -4.175 -11.735 1.00 0.00 H new ATOM 0 HE3 LYS B 445 6.381 -3.839 -12.007 1.00 0.00 H new ATOM 0 HZ1 LYS B 445 6.873 -3.063 -13.999 1.00 0.00 H new ATOM 0 HZ2 LYS B 445 7.904 -1.885 -13.341 1.00 0.00 H new ATOM 0 HZ3 LYS B 445 8.515 -3.416 -13.746 1.00 0.00 H new ATOM 1994 N LEU B 446 3.172 -0.978 -8.208 1.00 0.00 N ATOM 1995 CA LEU B 446 2.054 -1.196 -7.318 1.00 0.00 C ATOM 1996 C LEU B 446 1.105 -0.021 -7.397 1.00 0.00 C ATOM 1997 O LEU B 446 -0.100 -0.192 -7.401 1.00 0.00 O ATOM 1998 CB LEU B 446 2.540 -1.342 -5.895 1.00 0.00 C ATOM 1999 CG LEU B 446 3.553 -2.434 -5.648 1.00 0.00 C ATOM 2000 CD1 LEU B 446 3.530 -2.770 -4.185 1.00 0.00 C ATOM 2001 CD2 LEU B 446 3.190 -3.646 -6.457 1.00 0.00 C ATOM 0 H LEU B 446 4.084 -1.000 -7.753 1.00 0.00 H new ATOM 0 HA LEU B 446 1.540 -2.109 -7.619 1.00 0.00 H new ATOM 0 HB2 LEU B 446 2.975 -0.393 -5.582 1.00 0.00 H new ATOM 0 HB3 LEU B 446 1.677 -1.523 -5.255 1.00 0.00 H new ATOM 0 HG LEU B 446 4.550 -2.104 -5.940 1.00 0.00 H new ATOM 0 HD11 LEU B 446 4.255 -3.558 -3.981 1.00 0.00 H new ATOM 0 HD12 LEU B 446 3.785 -1.884 -3.604 1.00 0.00 H new ATOM 0 HD13 LEU B 446 2.534 -3.113 -3.906 1.00 0.00 H new ATOM 0 HD21 LEU B 446 3.921 -4.435 -6.279 1.00 0.00 H new ATOM 0 HD22 LEU B 446 2.200 -3.996 -6.164 1.00 0.00 H new ATOM 0 HD23 LEU B 446 3.185 -3.388 -7.516 1.00 0.00 H new ATOM 2013 N GLN B 447 1.670 1.175 -7.464 1.00 0.00 N ATOM 2014 CA GLN B 447 0.879 2.394 -7.585 1.00 0.00 C ATOM 2015 C GLN B 447 0.000 2.341 -8.826 1.00 0.00 C ATOM 2016 O GLN B 447 -1.123 2.837 -8.826 1.00 0.00 O ATOM 2017 CB GLN B 447 1.777 3.625 -7.660 1.00 0.00 C ATOM 2018 CG GLN B 447 1.347 4.741 -6.727 1.00 0.00 C ATOM 2019 CD GLN B 447 1.856 6.104 -7.152 1.00 0.00 C ATOM 2020 OE1 GLN B 447 2.965 6.134 -7.876 1.00 0.00 O flip ATOM 2021 NE2 GLN B 447 1.246 7.123 -6.842 1.00 0.00 N flip ATOM 0 H GLN B 447 2.678 1.329 -7.437 1.00 0.00 H new ATOM 0 HA GLN B 447 0.251 2.467 -6.697 1.00 0.00 H new ATOM 0 HB2 GLN B 447 2.800 3.335 -7.420 1.00 0.00 H new ATOM 0 HB3 GLN B 447 1.783 3.999 -8.684 1.00 0.00 H new ATOM 0 HG2 GLN B 447 0.258 4.766 -6.678 1.00 0.00 H new ATOM 0 HG3 GLN B 447 1.706 4.524 -5.721 1.00 0.00 H new ATOM 0 HE21 GLN B 447 0.395 7.058 -6.283 1.00 0.00 H new ATOM 0 HE22 GLN B 447 1.590 8.035 -7.143 1.00 0.00 H new ATOM 2030 N ASP B 448 0.522 1.743 -9.883 1.00 0.00 N ATOM 2031 CA ASP B 448 -0.223 1.609 -11.122 1.00 0.00 C ATOM 2032 C ASP B 448 -1.338 0.585 -10.959 1.00 0.00 C ATOM 2033 O ASP B 448 -2.498 0.872 -11.250 1.00 0.00 O ATOM 2034 CB ASP B 448 0.705 1.202 -12.266 1.00 0.00 C ATOM 2035 CG ASP B 448 -0.004 1.185 -13.604 1.00 0.00 C ATOM 2036 OD1 ASP B 448 -0.110 2.257 -14.235 1.00 0.00 O ATOM 2037 OD2 ASP B 448 -0.455 0.103 -14.034 1.00 0.00 O ATOM 0 H ASP B 448 1.460 1.342 -9.908 1.00 0.00 H new ATOM 0 HA ASP B 448 -0.666 2.575 -11.364 1.00 0.00 H new ATOM 0 HB2 ASP B 448 1.546 1.894 -12.312 1.00 0.00 H new ATOM 0 HB3 ASP B 448 1.116 0.213 -12.063 1.00 0.00 H new ATOM 2042 N VAL B 449 -0.988 -0.601 -10.465 1.00 0.00 N ATOM 2043 CA VAL B 449 -1.975 -1.654 -10.280 1.00 0.00 C ATOM 2044 C VAL B 449 -2.942 -1.336 -9.143 1.00 0.00 C ATOM 2045 O VAL B 449 -4.142 -1.289 -9.376 1.00 0.00 O ATOM 2046 CB VAL B 449 -1.344 -3.053 -10.111 1.00 0.00 C ATOM 2047 CG1 VAL B 449 -0.213 -3.067 -9.101 1.00 0.00 C ATOM 2048 CG2 VAL B 449 -2.409 -4.057 -9.722 1.00 0.00 C ATOM 0 H VAL B 449 -0.039 -0.852 -10.189 1.00 0.00 H new ATOM 0 HA VAL B 449 -2.551 -1.687 -11.205 1.00 0.00 H new ATOM 0 HB VAL B 449 -0.911 -3.329 -11.072 1.00 0.00 H new ATOM 0 HG11 VAL B 449 0.193 -4.076 -9.023 1.00 0.00 H new ATOM 0 HG12 VAL B 449 0.572 -2.384 -9.425 1.00 0.00 H new ATOM 0 HG13 VAL B 449 -0.590 -2.752 -8.128 1.00 0.00 H new ATOM 0 HG21 VAL B 449 -1.956 -5.041 -9.605 1.00 0.00 H new ATOM 0 HG22 VAL B 449 -2.868 -3.754 -8.781 1.00 0.00 H new ATOM 0 HG23 VAL B 449 -3.171 -4.099 -10.500 1.00 0.00 H new ATOM 2058 N PHE B 450 -2.443 -1.093 -7.930 1.00 0.00 N ATOM 2059 CA PHE B 450 -3.308 -0.726 -6.815 1.00 0.00 C ATOM 2060 C PHE B 450 -4.284 0.379 -7.187 1.00 0.00 C ATOM 2061 O PHE B 450 -5.469 0.251 -6.941 1.00 0.00 O ATOM 2062 CB PHE B 450 -2.500 -0.264 -5.604 1.00 0.00 C ATOM 2063 CG PHE B 450 -3.311 0.556 -4.642 1.00 0.00 C ATOM 2064 CD1 PHE B 450 -4.186 -0.044 -3.750 1.00 0.00 C ATOM 2065 CD2 PHE B 450 -3.212 1.938 -4.650 1.00 0.00 C ATOM 2066 CE1 PHE B 450 -4.942 0.723 -2.887 1.00 0.00 C ATOM 2067 CE2 PHE B 450 -3.962 2.702 -3.787 1.00 0.00 C ATOM 2068 CZ PHE B 450 -4.828 2.095 -2.906 1.00 0.00 C ATOM 0 H PHE B 450 -1.451 -1.144 -7.698 1.00 0.00 H new ATOM 0 HA PHE B 450 -3.865 -1.628 -6.564 1.00 0.00 H new ATOM 0 HB2 PHE B 450 -2.101 -1.136 -5.085 1.00 0.00 H new ATOM 0 HB3 PHE B 450 -1.647 0.322 -5.945 1.00 0.00 H new ATOM 0 HD1 PHE B 450 -4.277 -1.120 -3.730 1.00 0.00 H new ATOM 0 HD2 PHE B 450 -2.538 2.421 -5.342 1.00 0.00 H new ATOM 0 HE1 PHE B 450 -5.623 0.247 -2.197 1.00 0.00 H new ATOM 0 HE2 PHE B 450 -3.872 3.778 -3.800 1.00 0.00 H new ATOM 0 HZ PHE B 450 -5.418 2.695 -2.229 1.00 0.00 H new ATOM 2078 N GLU B 451 -3.791 1.464 -7.768 1.00 0.00 N ATOM 2079 CA GLU B 451 -4.635 2.628 -7.986 1.00 0.00 C ATOM 2080 C GLU B 451 -5.660 2.369 -9.082 1.00 0.00 C ATOM 2081 O GLU B 451 -6.770 2.893 -9.027 1.00 0.00 O ATOM 2082 CB GLU B 451 -3.792 3.863 -8.299 1.00 0.00 C ATOM 2083 CG GLU B 451 -4.576 5.165 -8.290 1.00 0.00 C ATOM 2084 CD GLU B 451 -3.675 6.383 -8.308 1.00 0.00 C ATOM 2085 OE1 GLU B 451 -3.279 6.820 -9.407 1.00 0.00 O ATOM 2086 OE2 GLU B 451 -3.364 6.914 -7.220 1.00 0.00 O ATOM 0 H GLU B 451 -2.829 1.562 -8.091 1.00 0.00 H new ATOM 0 HA GLU B 451 -5.182 2.821 -7.063 1.00 0.00 H new ATOM 0 HB2 GLU B 451 -2.984 3.933 -7.571 1.00 0.00 H new ATOM 0 HB3 GLU B 451 -3.329 3.736 -9.278 1.00 0.00 H new ATOM 0 HG2 GLU B 451 -5.238 5.193 -9.156 1.00 0.00 H new ATOM 0 HG3 GLU B 451 -5.209 5.198 -7.404 1.00 0.00 H new ATOM 2093 N MET B 452 -5.311 1.548 -10.070 1.00 0.00 N ATOM 2094 CA MET B 452 -6.299 1.155 -11.065 1.00 0.00 C ATOM 2095 C MET B 452 -7.270 0.164 -10.433 1.00 0.00 C ATOM 2096 O MET B 452 -8.463 0.165 -10.741 1.00 0.00 O ATOM 2097 CB MET B 452 -5.656 0.563 -12.334 1.00 0.00 C ATOM 2098 CG MET B 452 -5.140 -0.861 -12.186 1.00 0.00 C ATOM 2099 SD MET B 452 -5.848 -2.000 -13.396 1.00 0.00 S ATOM 2100 CE MET B 452 -7.600 -1.841 -13.052 1.00 0.00 C ATOM 0 H MET B 452 -4.380 1.153 -10.200 1.00 0.00 H new ATOM 0 HA MET B 452 -6.835 2.048 -11.385 1.00 0.00 H new ATOM 0 HB2 MET B 452 -6.389 0.586 -13.140 1.00 0.00 H new ATOM 0 HB3 MET B 452 -4.828 1.204 -12.637 1.00 0.00 H new ATOM 0 HG2 MET B 452 -4.055 -0.860 -12.288 1.00 0.00 H new ATOM 0 HG3 MET B 452 -5.366 -1.220 -11.182 1.00 0.00 H new ATOM 0 HE1 MET B 452 -8.159 -2.527 -13.688 1.00 0.00 H new ATOM 0 HE2 MET B 452 -7.788 -2.080 -12.005 1.00 0.00 H new ATOM 0 HE3 MET B 452 -7.919 -0.818 -13.254 1.00 0.00 H new ATOM 2110 N ARG B 453 -6.759 -0.666 -9.522 1.00 0.00 N ATOM 2111 CA ARG B 453 -7.607 -1.572 -8.769 1.00 0.00 C ATOM 2112 C ARG B 453 -8.539 -0.773 -7.885 1.00 0.00 C ATOM 2113 O ARG B 453 -9.725 -1.079 -7.762 1.00 0.00 O ATOM 2114 CB ARG B 453 -6.815 -2.532 -7.880 1.00 0.00 C ATOM 2115 CG ARG B 453 -5.885 -3.464 -8.611 1.00 0.00 C ATOM 2116 CD ARG B 453 -6.274 -4.881 -8.327 1.00 0.00 C ATOM 2117 NE ARG B 453 -5.880 -5.788 -9.404 1.00 0.00 N ATOM 2118 CZ ARG B 453 -6.520 -6.922 -9.706 1.00 0.00 C ATOM 2119 NH1 ARG B 453 -7.582 -7.306 -9.008 1.00 0.00 N ATOM 2120 NH2 ARG B 453 -6.085 -7.674 -10.711 1.00 0.00 N ATOM 0 H ARG B 453 -5.767 -0.725 -9.293 1.00 0.00 H new ATOM 0 HA ARG B 453 -8.156 -2.165 -9.500 1.00 0.00 H new ATOM 0 HB2 ARG B 453 -6.232 -1.946 -7.169 1.00 0.00 H new ATOM 0 HB3 ARG B 453 -7.519 -3.128 -7.300 1.00 0.00 H new ATOM 0 HG2 ARG B 453 -5.929 -3.272 -9.683 1.00 0.00 H new ATOM 0 HG3 ARG B 453 -4.856 -3.288 -8.297 1.00 0.00 H new ATOM 0 HD2 ARG B 453 -5.810 -5.203 -7.395 1.00 0.00 H new ATOM 0 HD3 ARG B 453 -7.353 -4.938 -8.183 1.00 0.00 H new ATOM 0 HE ARG B 453 -5.063 -5.539 -9.962 1.00 0.00 H new ATOM 0 HH11 ARG B 453 -7.917 -6.734 -8.233 1.00 0.00 H new ATOM 0 HH12 ARG B 453 -8.063 -8.173 -9.247 1.00 0.00 H new ATOM 0 HH21 ARG B 453 -5.267 -7.385 -11.247 1.00 0.00 H new ATOM 0 HH22 ARG B 453 -6.569 -8.540 -10.946 1.00 0.00 H new ATOM 2134 N PHE B 454 -7.983 0.261 -7.275 1.00 0.00 N ATOM 2135 CA PHE B 454 -8.704 1.056 -6.318 1.00 0.00 C ATOM 2136 C PHE B 454 -9.721 1.946 -7.013 1.00 0.00 C ATOM 2137 O PHE B 454 -10.711 2.368 -6.419 1.00 0.00 O ATOM 2138 CB PHE B 454 -7.767 1.910 -5.481 1.00 0.00 C ATOM 2139 CG PHE B 454 -8.317 2.047 -4.109 1.00 0.00 C ATOM 2140 CD1 PHE B 454 -8.508 0.911 -3.364 1.00 0.00 C ATOM 2141 CD2 PHE B 454 -8.706 3.267 -3.588 1.00 0.00 C ATOM 2142 CE1 PHE B 454 -9.067 0.958 -2.142 1.00 0.00 C ATOM 2143 CE2 PHE B 454 -9.268 3.331 -2.329 1.00 0.00 C ATOM 2144 CZ PHE B 454 -9.452 2.166 -1.605 1.00 0.00 C ATOM 0 H PHE B 454 -7.022 0.565 -7.434 1.00 0.00 H new ATOM 0 HA PHE B 454 -9.225 0.366 -5.654 1.00 0.00 H new ATOM 0 HB2 PHE B 454 -6.778 1.454 -5.444 1.00 0.00 H new ATOM 0 HB3 PHE B 454 -7.648 2.893 -5.937 1.00 0.00 H new ATOM 0 HD1 PHE B 454 -8.202 -0.043 -3.768 1.00 0.00 H new ATOM 0 HD2 PHE B 454 -8.570 4.169 -4.166 1.00 0.00 H new ATOM 0 HE1 PHE B 454 -9.214 0.047 -1.581 1.00 0.00 H new ATOM 0 HE2 PHE B 454 -9.562 4.283 -1.912 1.00 0.00 H new ATOM 0 HZ PHE B 454 -9.896 2.204 -0.621 1.00 0.00 H new