USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=31 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 30:sc= -1.2! USER MOD Set 1.2: B 447 GLN :FLIP amide:sc= 0.72 F(o=-1.5,f=-0.48) USER MOD Set 2.1: B 429 CYS SG : rot -91:sc= -3.31! USER MOD Set 2.2: B 433 ASN : amide:sc= -1.4! C(o=-14!,f=-25!) USER MOD Set 2.3: B 437 HIS : no HD1:sc= -9.45! C(o=-14!,f=-23!) USER MOD Set 3.1: B 369 HIS : no HD1:sc= -19.8! C(o=-19!,f=-20!) USER MOD Set 3.2: B 372 TYR OH : rot -9:sc= 1.34 USER MOD Set 4.1: B 364 MET CE :methyl -165:sc= -5.65! (180deg=-5.47!) USER MOD Set 4.2: B 425 MET CE :methyl -159:sc= -9.59! (180deg=-11.1!) USER MOD Set 5.1: B 353 GLN : amide:sc= -2.32! C(o=-2.5!,f=-4.3!) USER MOD Set 5.2: B 416 GLN : amide:sc= -0.188 X(o=-2.5,f=-2.1) USER MOD Single : B 351 SER OG : rot 180:sc= 0 USER MOD Single : B 355 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 356 CYS SG : rot 180:sc= 0 USER MOD Single : B 357 CYS SG : rot -25:sc= -17.8! USER MOD Single : B 358 SER OG : rot -81:sc= 1.12 USER MOD Single : B 362 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.108) USER MOD Single : B 367 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 368 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 377 TYR OH : rot -121:sc= -2.05! USER MOD Single : B 378 LYS NZ :NH3+ 156:sc= -0.374 (180deg=-1.23!) USER MOD Single : B 388 HIS : no HD1:sc= 0 X(o=0,f=-0.00046) USER MOD Single : B 390 TYR OH : rot 180:sc= -3.73! USER MOD Single : B 391 CYS SG : rot -27:sc= 0.125 USER MOD Single : B 395 LYS NZ :NH3+ 154:sc= -0.0971 (180deg=-0.443) USER MOD Single : B 396 HIS :FLIP no HD1:sc= -1.62 F(o=-2.2,f=-1.6) USER MOD Single : B 398 MET CE :methyl 167:sc= -6.62! (180deg=-7.16!) USER MOD Single : B 400 MET CE :methyl 168:sc= -12.5! (180deg=-13.5!) USER MOD Single : B 401 SER OG : rot 180:sc= 0 USER MOD Single : B 402 THR OG1 : rot 111:sc= 1.24 USER MOD Single : B 404 LYS NZ :NH3+ 170:sc= 0.961 (180deg=0.86) USER MOD Single : B 405 SER OG : rot 180:sc= 0 USER MOD Single : B 406 LYS NZ :NH3+ -166:sc= -0.874 (180deg=-0.968) USER MOD Single : B 412 TYR OH : rot -15:sc= -2.63 USER MOD Single : B 427 SER OG : rot 180:sc= 0 USER MOD Single : B 428 ASN : amide:sc= -8.93! C(o=-8.9!,f=-11!) USER MOD Single : B 431 LYS NZ :NH3+ -170:sc= -2.23! (180deg=-2.37!) USER MOD Single : B 432 TYR OH : rot 80:sc= -0.591 USER MOD Single : B 442 MET CE :methyl -130:sc= -1.77 (180deg=-4.49!) USER MOD Single : B 445 LYS NZ :NH3+ 149:sc= -0.176 (180deg=-0.725) USER MOD Single : B 452 MET CE :methyl -128:sc= -1.2 (180deg=-1.37) USER MOD ----------------------------------------------------------------- ATOM 88 N ARG A 7 18.936 2.639 -1.079 1.00 0.00 N ATOM 89 CA ARG A 7 19.806 1.503 -1.432 1.00 0.00 C ATOM 90 C ARG A 7 18.913 0.266 -1.424 1.00 0.00 C ATOM 91 O ARG A 7 19.346 -0.883 -1.498 1.00 0.00 O ATOM 92 CB ARG A 7 21.014 1.371 -0.485 1.00 0.00 C ATOM 93 CG ARG A 7 22.004 0.283 -0.865 1.00 0.00 C ATOM 94 CD ARG A 7 22.563 0.494 -2.259 1.00 0.00 C ATOM 95 NE ARG A 7 23.621 -0.469 -2.559 1.00 0.00 N ATOM 96 CZ ARG A 7 24.130 -0.675 -3.771 1.00 0.00 C ATOM 97 NH1 ARG A 7 23.698 0.034 -4.804 1.00 0.00 N ATOM 98 NH2 ARG A 7 25.088 -1.577 -3.938 1.00 0.00 N ATOM 0 HA ARG A 7 20.254 1.647 -2.415 1.00 0.00 H new ATOM 0 HB2 ARG A 7 21.539 2.326 -0.453 1.00 0.00 H new ATOM 0 HB3 ARG A 7 20.648 1.174 0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 7 22.821 0.267 -0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 7 21.514 -0.689 -0.813 1.00 0.00 H new ATOM 0 HD2 ARG A 7 21.762 0.398 -2.992 1.00 0.00 H new ATOM 0 HD3 ARG A 7 22.955 1.507 -2.346 1.00 0.00 H new ATOM 0 HE ARG A 7 23.995 -1.021 -1.787 1.00 0.00 H new ATOM 0 HH11 ARG A 7 22.974 0.740 -4.671 1.00 0.00 H new ATOM 0 HH12 ARG A 7 24.090 -0.126 -5.732 1.00 0.00 H new ATOM 0 HH21 ARG A 7 25.432 -2.110 -3.139 1.00 0.00 H new ATOM 0 HH22 ARG A 7 25.481 -1.738 -4.865 1.00 0.00 H new ATOM 112 N GLY A 8 17.628 0.589 -1.361 1.00 0.00 N ATOM 113 CA GLY A 8 16.545 -0.359 -1.348 1.00 0.00 C ATOM 114 C GLY A 8 16.567 -1.341 -2.507 1.00 0.00 C ATOM 115 O GLY A 8 16.611 -0.926 -3.665 1.00 0.00 O ATOM 0 H GLY A 8 17.310 1.557 -1.316 1.00 0.00 H new ATOM 0 HA2 GLY A 8 16.576 -0.917 -0.412 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.600 0.184 -1.364 1.00 0.00 H new ATOM 450 N VAL B 350 -19.196 -1.696 2.197 1.00 0.00 N ATOM 451 CA VAL B 350 -17.975 -1.418 2.932 1.00 0.00 C ATOM 452 C VAL B 350 -17.071 -2.628 3.048 1.00 0.00 C ATOM 453 O VAL B 350 -15.927 -2.619 2.611 1.00 0.00 O ATOM 454 CB VAL B 350 -18.388 -0.908 4.311 1.00 0.00 C ATOM 455 CG1 VAL B 350 -17.244 -0.238 4.992 1.00 0.00 C ATOM 456 CG2 VAL B 350 -19.557 0.047 4.147 1.00 0.00 C ATOM 0 HA VAL B 350 -17.390 -0.672 2.394 1.00 0.00 H new ATOM 0 HB VAL B 350 -18.690 -1.748 4.936 1.00 0.00 H new ATOM 0 HG11 VAL B 350 -17.562 0.117 5.972 1.00 0.00 H new ATOM 0 HG12 VAL B 350 -16.425 -0.948 5.111 1.00 0.00 H new ATOM 0 HG13 VAL B 350 -16.907 0.607 4.391 1.00 0.00 H new ATOM 0 HG21 VAL B 350 -19.863 0.419 5.125 1.00 0.00 H new ATOM 0 HG22 VAL B 350 -19.257 0.885 3.517 1.00 0.00 H new ATOM 0 HG23 VAL B 350 -20.392 -0.476 3.681 1.00 0.00 H new ATOM 466 N SER B 351 -17.585 -3.656 3.653 1.00 0.00 N ATOM 467 CA SER B 351 -16.917 -4.933 3.676 1.00 0.00 C ATOM 468 C SER B 351 -16.807 -5.486 2.254 1.00 0.00 C ATOM 469 O SER B 351 -15.912 -6.270 1.931 1.00 0.00 O ATOM 470 CB SER B 351 -17.680 -5.853 4.617 1.00 0.00 C ATOM 471 OG SER B 351 -17.103 -7.145 4.679 1.00 0.00 O ATOM 0 H SER B 351 -18.478 -3.639 4.146 1.00 0.00 H new ATOM 0 HA SER B 351 -15.897 -4.841 4.049 1.00 0.00 H new ATOM 0 HB2 SER B 351 -17.699 -5.416 5.615 1.00 0.00 H new ATOM 0 HB3 SER B 351 -18.715 -5.934 4.285 1.00 0.00 H new ATOM 0 HG SER B 351 -17.621 -7.705 5.294 1.00 0.00 H new ATOM 477 N GLU B 352 -17.710 -5.022 1.405 1.00 0.00 N ATOM 478 CA GLU B 352 -17.647 -5.266 -0.029 1.00 0.00 C ATOM 479 C GLU B 352 -16.409 -4.584 -0.602 1.00 0.00 C ATOM 480 O GLU B 352 -15.737 -5.115 -1.491 1.00 0.00 O ATOM 481 CB GLU B 352 -18.893 -4.706 -0.715 1.00 0.00 C ATOM 482 CG GLU B 352 -20.210 -5.407 -0.388 1.00 0.00 C ATOM 483 CD GLU B 352 -20.279 -6.009 1.005 1.00 0.00 C ATOM 484 OE1 GLU B 352 -20.402 -5.242 1.986 1.00 0.00 O ATOM 485 OE2 GLU B 352 -20.210 -7.251 1.126 1.00 0.00 O ATOM 0 H GLU B 352 -18.513 -4.462 1.692 1.00 0.00 H new ATOM 0 HA GLU B 352 -17.596 -6.341 -0.205 1.00 0.00 H new ATOM 0 HB2 GLU B 352 -18.988 -3.654 -0.448 1.00 0.00 H new ATOM 0 HB3 GLU B 352 -18.740 -4.748 -1.793 1.00 0.00 H new ATOM 0 HG2 GLU B 352 -21.025 -4.692 -0.501 1.00 0.00 H new ATOM 0 HG3 GLU B 352 -20.377 -6.198 -1.120 1.00 0.00 H new ATOM 492 N GLN B 353 -16.110 -3.398 -0.058 1.00 0.00 N ATOM 493 CA GLN B 353 -14.918 -2.654 -0.423 1.00 0.00 C ATOM 494 C GLN B 353 -13.713 -3.489 -0.084 1.00 0.00 C ATOM 495 O GLN B 353 -12.726 -3.464 -0.787 1.00 0.00 O ATOM 496 CB GLN B 353 -14.812 -1.302 0.327 1.00 0.00 C ATOM 497 CG GLN B 353 -15.726 -0.186 -0.167 1.00 0.00 C ATOM 498 CD GLN B 353 -14.972 0.920 -0.872 1.00 0.00 C ATOM 499 OE1 GLN B 353 -13.938 0.697 -1.481 1.00 0.00 O ATOM 500 NE2 GLN B 353 -15.490 2.127 -0.793 1.00 0.00 N ATOM 0 H GLN B 353 -16.690 -2.937 0.643 1.00 0.00 H new ATOM 0 HA GLN B 353 -14.971 -2.437 -1.490 1.00 0.00 H new ATOM 0 HB2 GLN B 353 -15.024 -1.477 1.382 1.00 0.00 H new ATOM 0 HB3 GLN B 353 -13.781 -0.954 0.263 1.00 0.00 H new ATOM 0 HG2 GLN B 353 -16.468 -0.604 -0.847 1.00 0.00 H new ATOM 0 HG3 GLN B 353 -16.270 0.233 0.679 1.00 0.00 H new ATOM 0 HE21 GLN B 353 -16.356 2.277 -0.275 1.00 0.00 H new ATOM 0 HE22 GLN B 353 -15.026 2.912 -1.249 1.00 0.00 H new ATOM 509 N LEU B 354 -13.797 -4.254 0.983 1.00 0.00 N ATOM 510 CA LEU B 354 -12.643 -4.984 1.422 1.00 0.00 C ATOM 511 C LEU B 354 -12.411 -6.275 0.671 1.00 0.00 C ATOM 512 O LEU B 354 -11.275 -6.646 0.428 1.00 0.00 O ATOM 513 CB LEU B 354 -12.692 -5.251 2.876 1.00 0.00 C ATOM 514 CG LEU B 354 -12.758 -4.004 3.689 1.00 0.00 C ATOM 515 CD1 LEU B 354 -13.693 -4.182 4.842 1.00 0.00 C ATOM 516 CD2 LEU B 354 -11.371 -3.654 4.153 1.00 0.00 C ATOM 0 H LEU B 354 -14.637 -4.381 1.548 1.00 0.00 H new ATOM 0 HA LEU B 354 -11.797 -4.334 1.199 1.00 0.00 H new ATOM 0 HB2 LEU B 354 -13.561 -5.871 3.098 1.00 0.00 H new ATOM 0 HB3 LEU B 354 -11.810 -5.822 3.166 1.00 0.00 H new ATOM 0 HG LEU B 354 -13.145 -3.184 3.084 1.00 0.00 H new ATOM 0 HD11 LEU B 354 -13.730 -3.262 5.426 1.00 0.00 H new ATOM 0 HD12 LEU B 354 -14.690 -4.415 4.469 1.00 0.00 H new ATOM 0 HD13 LEU B 354 -13.341 -4.998 5.473 1.00 0.00 H new ATOM 0 HD21 LEU B 354 -11.406 -2.742 4.750 1.00 0.00 H new ATOM 0 HD22 LEU B 354 -10.973 -4.469 4.758 1.00 0.00 H new ATOM 0 HD23 LEU B 354 -10.727 -3.497 3.288 1.00 0.00 H new ATOM 528 N LYS B 355 -13.450 -6.998 0.317 1.00 0.00 N ATOM 529 CA LYS B 355 -13.251 -8.155 -0.513 1.00 0.00 C ATOM 530 C LYS B 355 -12.596 -7.751 -1.827 1.00 0.00 C ATOM 531 O LYS B 355 -11.856 -8.512 -2.451 1.00 0.00 O ATOM 532 CB LYS B 355 -14.560 -8.878 -0.727 1.00 0.00 C ATOM 533 CG LYS B 355 -15.007 -9.548 0.543 1.00 0.00 C ATOM 534 CD LYS B 355 -14.002 -10.597 0.944 1.00 0.00 C ATOM 535 CE LYS B 355 -13.471 -10.359 2.343 1.00 0.00 C ATOM 536 NZ LYS B 355 -12.561 -11.448 2.787 1.00 0.00 N ATOM 0 H LYS B 355 -14.416 -6.809 0.585 1.00 0.00 H new ATOM 0 HA LYS B 355 -12.576 -8.849 -0.012 1.00 0.00 H new ATOM 0 HB2 LYS B 355 -15.321 -8.173 -1.060 1.00 0.00 H new ATOM 0 HB3 LYS B 355 -14.447 -9.621 -1.516 1.00 0.00 H new ATOM 0 HG2 LYS B 355 -15.113 -8.809 1.338 1.00 0.00 H new ATOM 0 HG3 LYS B 355 -15.986 -10.005 0.400 1.00 0.00 H new ATOM 0 HD2 LYS B 355 -14.465 -11.583 0.893 1.00 0.00 H new ATOM 0 HD3 LYS B 355 -13.174 -10.597 0.236 1.00 0.00 H new ATOM 0 HE2 LYS B 355 -12.939 -9.408 2.372 1.00 0.00 H new ATOM 0 HE3 LYS B 355 -14.306 -10.278 3.039 1.00 0.00 H new ATOM 0 HZ1 LYS B 355 -12.221 -11.246 3.749 1.00 0.00 H new ATOM 0 HZ2 LYS B 355 -13.075 -12.352 2.785 1.00 0.00 H new ATOM 0 HZ3 LYS B 355 -11.750 -11.509 2.139 1.00 0.00 H new ATOM 550 N CYS B 356 -12.851 -6.517 -2.197 1.00 0.00 N ATOM 551 CA CYS B 356 -12.209 -5.881 -3.322 1.00 0.00 C ATOM 552 C CYS B 356 -10.817 -5.436 -2.924 1.00 0.00 C ATOM 553 O CYS B 356 -9.840 -5.892 -3.507 1.00 0.00 O ATOM 554 CB CYS B 356 -13.052 -4.707 -3.764 1.00 0.00 C ATOM 555 SG CYS B 356 -13.453 -4.691 -5.528 1.00 0.00 S ATOM 0 H CYS B 356 -13.522 -5.918 -1.716 1.00 0.00 H new ATOM 0 HA CYS B 356 -12.116 -6.579 -4.154 1.00 0.00 H new ATOM 0 HB2 CYS B 356 -13.981 -4.708 -3.193 1.00 0.00 H new ATOM 0 HB3 CYS B 356 -12.526 -3.785 -3.516 1.00 0.00 H new ATOM 0 HG CYS B 356 -14.178 -3.647 -5.799 1.00 0.00 H new ATOM 561 N CYS B 357 -10.743 -4.597 -1.889 1.00 0.00 N ATOM 562 CA CYS B 357 -9.483 -4.069 -1.383 1.00 0.00 C ATOM 563 C CYS B 357 -8.474 -5.189 -1.246 1.00 0.00 C ATOM 564 O CYS B 357 -7.324 -5.073 -1.655 1.00 0.00 O ATOM 565 CB CYS B 357 -9.685 -3.419 -0.004 1.00 0.00 C ATOM 566 SG CYS B 357 -9.755 -4.533 1.388 1.00 0.00 S ATOM 0 H CYS B 357 -11.562 -4.266 -1.379 1.00 0.00 H new ATOM 0 HA CYS B 357 -9.120 -3.321 -2.088 1.00 0.00 H new ATOM 0 HB2 CYS B 357 -8.873 -2.711 0.164 1.00 0.00 H new ATOM 0 HB3 CYS B 357 -10.610 -2.843 -0.029 1.00 0.00 H new ATOM 0 HG CYS B 357 -10.144 -5.706 0.986 1.00 0.00 H new ATOM 572 N SER B 358 -8.928 -6.289 -0.679 1.00 0.00 N ATOM 573 CA SER B 358 -8.048 -7.396 -0.413 1.00 0.00 C ATOM 574 C SER B 358 -7.536 -8.008 -1.694 1.00 0.00 C ATOM 575 O SER B 358 -6.336 -8.096 -1.879 1.00 0.00 O ATOM 576 CB SER B 358 -8.715 -8.460 0.460 1.00 0.00 C ATOM 577 OG SER B 358 -9.974 -8.847 -0.058 1.00 0.00 O ATOM 0 H SER B 358 -9.897 -6.435 -0.397 1.00 0.00 H new ATOM 0 HA SER B 358 -7.199 -6.998 0.142 1.00 0.00 H new ATOM 0 HB2 SER B 358 -8.066 -9.333 0.530 1.00 0.00 H new ATOM 0 HB3 SER B 358 -8.840 -8.075 1.472 1.00 0.00 H new ATOM 0 HG SER B 358 -10.651 -8.188 0.201 1.00 0.00 H new ATOM 583 N GLY B 359 -8.445 -8.400 -2.586 1.00 0.00 N ATOM 584 CA GLY B 359 -8.038 -8.956 -3.868 1.00 0.00 C ATOM 585 C GLY B 359 -7.103 -8.024 -4.616 1.00 0.00 C ATOM 586 O GLY B 359 -6.349 -8.448 -5.487 1.00 0.00 O ATOM 0 H GLY B 359 -9.454 -8.343 -2.445 1.00 0.00 H new ATOM 0 HA2 GLY B 359 -7.544 -9.914 -3.708 1.00 0.00 H new ATOM 0 HA3 GLY B 359 -8.921 -9.150 -4.477 1.00 0.00 H new ATOM 590 N ILE B 360 -7.182 -6.753 -4.269 1.00 0.00 N ATOM 591 CA ILE B 360 -6.307 -5.727 -4.773 1.00 0.00 C ATOM 592 C ILE B 360 -4.881 -5.838 -4.210 1.00 0.00 C ATOM 593 O ILE B 360 -3.921 -5.970 -4.968 1.00 0.00 O ATOM 594 CB ILE B 360 -6.925 -4.382 -4.433 1.00 0.00 C ATOM 595 CG1 ILE B 360 -8.249 -4.226 -5.157 1.00 0.00 C ATOM 596 CG2 ILE B 360 -5.988 -3.248 -4.737 1.00 0.00 C ATOM 597 CD1 ILE B 360 -8.833 -2.875 -4.935 1.00 0.00 C ATOM 0 H ILE B 360 -7.878 -6.403 -3.610 1.00 0.00 H new ATOM 0 HA ILE B 360 -6.207 -5.843 -5.852 1.00 0.00 H new ATOM 0 HB ILE B 360 -7.113 -4.349 -3.360 1.00 0.00 H new ATOM 0 HG12 ILE B 360 -8.103 -4.390 -6.225 1.00 0.00 H new ATOM 0 HG13 ILE B 360 -8.947 -4.988 -4.810 1.00 0.00 H new ATOM 0 HG21 ILE B 360 -6.466 -2.302 -4.480 1.00 0.00 H new ATOM 0 HG22 ILE B 360 -5.075 -3.364 -4.153 1.00 0.00 H new ATOM 0 HG23 ILE B 360 -5.742 -3.254 -5.799 1.00 0.00 H new ATOM 0 HD11 ILE B 360 -9.781 -2.796 -5.467 1.00 0.00 H new ATOM 0 HD12 ILE B 360 -9.002 -2.722 -3.869 1.00 0.00 H new ATOM 0 HD13 ILE B 360 -8.145 -2.116 -5.306 1.00 0.00 H new ATOM 609 N LEU B 361 -4.746 -5.766 -2.888 1.00 0.00 N ATOM 610 CA LEU B 361 -3.456 -6.031 -2.220 1.00 0.00 C ATOM 611 C LEU B 361 -2.958 -7.396 -2.578 1.00 0.00 C ATOM 612 O LEU B 361 -1.848 -7.573 -3.038 1.00 0.00 O ATOM 613 CB LEU B 361 -3.627 -6.038 -0.727 1.00 0.00 C ATOM 614 CG LEU B 361 -2.836 -5.014 0.043 1.00 0.00 C ATOM 615 CD1 LEU B 361 -2.891 -5.393 1.483 1.00 0.00 C ATOM 616 CD2 LEU B 361 -1.423 -4.980 -0.395 1.00 0.00 C ATOM 0 H LEU B 361 -5.507 -5.528 -2.252 1.00 0.00 H new ATOM 0 HA LEU B 361 -2.764 -5.252 -2.539 1.00 0.00 H new ATOM 0 HB2 LEU B 361 -4.684 -5.892 -0.504 1.00 0.00 H new ATOM 0 HB3 LEU B 361 -3.357 -7.027 -0.357 1.00 0.00 H new ATOM 0 HG LEU B 361 -3.262 -4.026 -0.129 1.00 0.00 H new ATOM 0 HD11 LEU B 361 -2.326 -4.670 2.071 1.00 0.00 H new ATOM 0 HD12 LEU B 361 -3.928 -5.402 1.818 1.00 0.00 H new ATOM 0 HD13 LEU B 361 -2.459 -6.385 1.615 1.00 0.00 H new ATOM 0 HD21 LEU B 361 -0.881 -4.230 0.181 1.00 0.00 H new ATOM 0 HD22 LEU B 361 -0.969 -5.958 -0.235 1.00 0.00 H new ATOM 0 HD23 LEU B 361 -1.376 -4.727 -1.454 1.00 0.00 H new ATOM 628 N LYS B 362 -3.781 -8.355 -2.266 1.00 0.00 N ATOM 629 CA LYS B 362 -3.580 -9.736 -2.684 1.00 0.00 C ATOM 630 C LYS B 362 -3.111 -9.832 -4.146 1.00 0.00 C ATOM 631 O LYS B 362 -2.438 -10.784 -4.528 1.00 0.00 O ATOM 632 CB LYS B 362 -4.885 -10.499 -2.539 1.00 0.00 C ATOM 633 CG LYS B 362 -5.151 -11.037 -1.157 1.00 0.00 C ATOM 634 CD LYS B 362 -4.765 -10.071 -0.073 1.00 0.00 C ATOM 635 CE LYS B 362 -5.432 -10.464 1.216 1.00 0.00 C ATOM 636 NZ LYS B 362 -5.003 -11.811 1.689 1.00 0.00 N ATOM 0 H LYS B 362 -4.623 -8.212 -1.709 1.00 0.00 H new ATOM 0 HA LYS B 362 -2.805 -10.165 -2.048 1.00 0.00 H new ATOM 0 HB2 LYS B 362 -5.707 -9.842 -2.823 1.00 0.00 H new ATOM 0 HB3 LYS B 362 -4.884 -11.331 -3.244 1.00 0.00 H new ATOM 0 HG2 LYS B 362 -6.210 -11.277 -1.063 1.00 0.00 H new ATOM 0 HG3 LYS B 362 -4.600 -11.967 -1.022 1.00 0.00 H new ATOM 0 HD2 LYS B 362 -3.682 -10.065 0.054 1.00 0.00 H new ATOM 0 HD3 LYS B 362 -5.059 -9.059 -0.352 1.00 0.00 H new ATOM 0 HE2 LYS B 362 -5.203 -9.723 1.982 1.00 0.00 H new ATOM 0 HE3 LYS B 362 -6.513 -10.457 1.079 1.00 0.00 H new ATOM 0 HZ1 LYS B 362 -5.339 -11.960 2.662 1.00 0.00 H new ATOM 0 HZ2 LYS B 362 -5.405 -12.542 1.068 1.00 0.00 H new ATOM 0 HZ3 LYS B 362 -3.965 -11.872 1.668 1.00 0.00 H new ATOM 650 N GLU B 363 -3.511 -8.859 -4.964 1.00 0.00 N ATOM 651 CA GLU B 363 -3.048 -8.783 -6.347 1.00 0.00 C ATOM 652 C GLU B 363 -1.644 -8.204 -6.432 1.00 0.00 C ATOM 653 O GLU B 363 -0.799 -8.788 -7.066 1.00 0.00 O ATOM 654 CB GLU B 363 -3.978 -7.970 -7.233 1.00 0.00 C ATOM 655 CG GLU B 363 -3.552 -7.998 -8.688 1.00 0.00 C ATOM 656 CD GLU B 363 -3.649 -9.381 -9.306 1.00 0.00 C ATOM 657 OE1 GLU B 363 -4.691 -10.048 -9.141 1.00 0.00 O ATOM 658 OE2 GLU B 363 -2.680 -9.808 -9.962 1.00 0.00 O ATOM 0 H GLU B 363 -4.153 -8.114 -4.693 1.00 0.00 H new ATOM 0 HA GLU B 363 -3.041 -9.810 -6.713 1.00 0.00 H new ATOM 0 HB2 GLU B 363 -4.992 -8.359 -7.146 1.00 0.00 H new ATOM 0 HB3 GLU B 363 -4.001 -6.938 -6.883 1.00 0.00 H new ATOM 0 HG2 GLU B 363 -4.174 -7.307 -9.257 1.00 0.00 H new ATOM 0 HG3 GLU B 363 -2.525 -7.641 -8.767 1.00 0.00 H new ATOM 665 N MET B 364 -1.370 -7.051 -5.826 1.00 0.00 N ATOM 666 CA MET B 364 0.036 -6.610 -5.728 1.00 0.00 C ATOM 667 C MET B 364 0.854 -7.762 -5.127 1.00 0.00 C ATOM 668 O MET B 364 1.990 -8.007 -5.508 1.00 0.00 O ATOM 669 CB MET B 364 0.200 -5.302 -4.926 1.00 0.00 C ATOM 670 CG MET B 364 -0.844 -5.090 -3.885 1.00 0.00 C ATOM 671 SD MET B 364 -1.688 -3.520 -4.040 1.00 0.00 S ATOM 672 CE MET B 364 -0.303 -2.473 -3.690 1.00 0.00 C ATOM 0 H MET B 364 -2.060 -6.425 -5.411 1.00 0.00 H new ATOM 0 HA MET B 364 0.406 -6.372 -6.726 1.00 0.00 H new ATOM 0 HB2 MET B 364 1.179 -5.302 -4.448 1.00 0.00 H new ATOM 0 HB3 MET B 364 0.184 -4.460 -5.618 1.00 0.00 H new ATOM 0 HG2 MET B 364 -1.576 -5.896 -3.945 1.00 0.00 H new ATOM 0 HG3 MET B 364 -0.382 -5.151 -2.899 1.00 0.00 H new ATOM 0 HE1 MET B 364 -0.655 -1.465 -3.472 1.00 0.00 H new ATOM 0 HE2 MET B 364 0.239 -2.862 -2.828 1.00 0.00 H new ATOM 0 HE3 MET B 364 0.361 -2.447 -4.554 1.00 0.00 H new ATOM 682 N PHE B 365 0.211 -8.511 -4.235 1.00 0.00 N ATOM 683 CA PHE B 365 0.792 -9.696 -3.611 1.00 0.00 C ATOM 684 C PHE B 365 0.939 -10.840 -4.619 1.00 0.00 C ATOM 685 O PHE B 365 1.646 -11.818 -4.368 1.00 0.00 O ATOM 686 CB PHE B 365 -0.127 -10.198 -2.502 1.00 0.00 C ATOM 687 CG PHE B 365 0.337 -9.974 -1.110 1.00 0.00 C ATOM 688 CD1 PHE B 365 1.255 -10.818 -0.515 1.00 0.00 C ATOM 689 CD2 PHE B 365 -0.181 -8.941 -0.387 1.00 0.00 C ATOM 690 CE1 PHE B 365 1.649 -10.608 0.790 1.00 0.00 C ATOM 691 CE2 PHE B 365 0.198 -8.728 0.903 1.00 0.00 C ATOM 692 CZ PHE B 365 1.117 -9.556 1.500 1.00 0.00 C ATOM 0 H PHE B 365 -0.739 -8.310 -3.922 1.00 0.00 H new ATOM 0 HA PHE B 365 1.770 -9.410 -3.224 1.00 0.00 H new ATOM 0 HB2 PHE B 365 -1.099 -9.718 -2.620 1.00 0.00 H new ATOM 0 HB3 PHE B 365 -0.280 -11.268 -2.643 1.00 0.00 H new ATOM 0 HD1 PHE B 365 1.666 -11.646 -1.074 1.00 0.00 H new ATOM 0 HD2 PHE B 365 -0.903 -8.281 -0.845 1.00 0.00 H new ATOM 0 HE1 PHE B 365 2.371 -11.265 1.252 1.00 0.00 H new ATOM 0 HE2 PHE B 365 -0.226 -7.905 1.459 1.00 0.00 H new ATOM 0 HZ PHE B 365 1.421 -9.382 2.522 1.00 0.00 H new ATOM 702 N ALA B 366 0.206 -10.738 -5.720 1.00 0.00 N ATOM 703 CA ALA B 366 0.203 -11.758 -6.761 1.00 0.00 C ATOM 704 C ALA B 366 1.600 -12.005 -7.270 1.00 0.00 C ATOM 705 O ALA B 366 2.408 -11.092 -7.316 1.00 0.00 O ATOM 706 CB ALA B 366 -0.723 -11.386 -7.916 1.00 0.00 C ATOM 0 H ALA B 366 -0.404 -9.945 -5.917 1.00 0.00 H new ATOM 0 HA ALA B 366 -0.177 -12.676 -6.313 1.00 0.00 H new ATOM 0 HB1 ALA B 366 -0.697 -12.172 -8.671 1.00 0.00 H new ATOM 0 HB2 ALA B 366 -1.741 -11.274 -7.544 1.00 0.00 H new ATOM 0 HB3 ALA B 366 -0.393 -10.446 -8.359 1.00 0.00 H new ATOM 712 N LYS B 367 1.877 -13.249 -7.643 1.00 0.00 N ATOM 713 CA LYS B 367 3.145 -13.603 -8.271 1.00 0.00 C ATOM 714 C LYS B 367 3.384 -12.684 -9.466 1.00 0.00 C ATOM 715 O LYS B 367 4.519 -12.383 -9.837 1.00 0.00 O ATOM 716 CB LYS B 367 3.107 -15.059 -8.715 1.00 0.00 C ATOM 717 CG LYS B 367 4.463 -15.605 -9.091 1.00 0.00 C ATOM 718 CD LYS B 367 5.327 -15.878 -7.870 1.00 0.00 C ATOM 719 CE LYS B 367 6.670 -16.459 -8.275 1.00 0.00 C ATOM 720 NZ LYS B 367 7.586 -16.634 -7.117 1.00 0.00 N ATOM 0 H LYS B 367 1.237 -14.034 -7.521 1.00 0.00 H new ATOM 0 HA LYS B 367 3.961 -13.480 -7.559 1.00 0.00 H new ATOM 0 HB2 LYS B 367 2.689 -15.666 -7.912 1.00 0.00 H new ATOM 0 HB3 LYS B 367 2.436 -15.154 -9.568 1.00 0.00 H new ATOM 0 HG2 LYS B 367 4.338 -16.527 -9.659 1.00 0.00 H new ATOM 0 HG3 LYS B 367 4.971 -14.895 -9.743 1.00 0.00 H new ATOM 0 HD2 LYS B 367 5.479 -14.953 -7.313 1.00 0.00 H new ATOM 0 HD3 LYS B 367 4.813 -16.570 -7.203 1.00 0.00 H new ATOM 0 HE2 LYS B 367 6.514 -17.423 -8.760 1.00 0.00 H new ATOM 0 HE3 LYS B 367 7.139 -15.804 -9.010 1.00 0.00 H new ATOM 0 HZ1 LYS B 367 8.488 -17.033 -7.445 1.00 0.00 H new ATOM 0 HZ2 LYS B 367 7.758 -15.712 -6.668 1.00 0.00 H new ATOM 0 HZ3 LYS B 367 7.153 -17.280 -6.426 1.00 0.00 H new ATOM 734 N LYS B 368 2.275 -12.247 -10.042 1.00 0.00 N ATOM 735 CA LYS B 368 2.244 -11.228 -11.072 1.00 0.00 C ATOM 736 C LYS B 368 2.964 -9.940 -10.614 1.00 0.00 C ATOM 737 O LYS B 368 3.793 -9.404 -11.348 1.00 0.00 O ATOM 738 CB LYS B 368 0.776 -10.993 -11.426 1.00 0.00 C ATOM 739 CG LYS B 368 0.279 -9.593 -11.246 1.00 0.00 C ATOM 740 CD LYS B 368 0.877 -8.609 -12.239 1.00 0.00 C ATOM 741 CE LYS B 368 0.483 -8.953 -13.643 1.00 0.00 C ATOM 742 NZ LYS B 368 1.009 -7.984 -14.641 1.00 0.00 N ATOM 0 H LYS B 368 1.350 -12.602 -9.798 1.00 0.00 H new ATOM 0 HA LYS B 368 2.786 -11.554 -11.960 1.00 0.00 H new ATOM 0 HB2 LYS B 368 0.622 -11.282 -12.465 1.00 0.00 H new ATOM 0 HB3 LYS B 368 0.164 -11.657 -10.816 1.00 0.00 H new ATOM 0 HG2 LYS B 368 -0.806 -9.585 -11.346 1.00 0.00 H new ATOM 0 HG3 LYS B 368 0.508 -9.261 -10.233 1.00 0.00 H new ATOM 0 HD2 LYS B 368 0.543 -7.599 -12.001 1.00 0.00 H new ATOM 0 HD3 LYS B 368 1.963 -8.614 -12.151 1.00 0.00 H new ATOM 0 HE2 LYS B 368 0.849 -9.951 -13.884 1.00 0.00 H new ATOM 0 HE3 LYS B 368 -0.604 -8.986 -13.713 1.00 0.00 H new ATOM 0 HZ1 LYS B 368 0.707 -8.269 -15.594 1.00 0.00 H new ATOM 0 HZ2 LYS B 368 0.640 -7.035 -14.431 1.00 0.00 H new ATOM 0 HZ3 LYS B 368 2.048 -7.970 -14.597 1.00 0.00 H new ATOM 756 N HIS B 369 2.669 -9.442 -9.405 1.00 0.00 N ATOM 757 CA HIS B 369 3.293 -8.201 -8.939 1.00 0.00 C ATOM 758 C HIS B 369 4.367 -8.489 -7.916 1.00 0.00 C ATOM 759 O HIS B 369 4.997 -7.579 -7.416 1.00 0.00 O ATOM 760 CB HIS B 369 2.283 -7.165 -8.389 1.00 0.00 C ATOM 761 CG HIS B 369 1.109 -6.893 -9.269 1.00 0.00 C ATOM 762 ND1 HIS B 369 1.106 -5.978 -10.293 1.00 0.00 N ATOM 763 CD2 HIS B 369 -0.123 -7.428 -9.252 1.00 0.00 C ATOM 764 CE1 HIS B 369 -0.084 -5.969 -10.859 1.00 0.00 C ATOM 765 NE2 HIS B 369 -0.846 -6.835 -10.242 1.00 0.00 N ATOM 0 H HIS B 369 2.017 -9.869 -8.747 1.00 0.00 H new ATOM 0 HA HIS B 369 3.746 -7.747 -9.820 1.00 0.00 H new ATOM 0 HB2 HIS B 369 1.919 -7.514 -7.422 1.00 0.00 H new ATOM 0 HB3 HIS B 369 2.809 -6.227 -8.212 1.00 0.00 H new ATOM 0 HD2 HIS B 369 -0.477 -8.191 -8.575 1.00 0.00 H new ATOM 0 HE1 HIS B 369 -0.381 -5.350 -11.693 1.00 0.00 H new ATOM 0 HE2 HIS B 369 -1.821 -7.033 -10.466 1.00 0.00 H new ATOM 774 N ALA B 370 4.626 -9.759 -7.663 1.00 0.00 N ATOM 775 CA ALA B 370 5.647 -10.153 -6.703 1.00 0.00 C ATOM 776 C ALA B 370 7.031 -9.951 -7.259 1.00 0.00 C ATOM 777 O ALA B 370 8.023 -10.265 -6.615 1.00 0.00 O ATOM 778 CB ALA B 370 5.481 -11.591 -6.294 1.00 0.00 C ATOM 0 H ALA B 370 4.143 -10.539 -8.109 1.00 0.00 H new ATOM 0 HA ALA B 370 5.522 -9.516 -5.828 1.00 0.00 H new ATOM 0 HB1 ALA B 370 6.257 -11.857 -5.577 1.00 0.00 H new ATOM 0 HB2 ALA B 370 4.501 -11.728 -5.836 1.00 0.00 H new ATOM 0 HB3 ALA B 370 5.564 -12.231 -7.172 1.00 0.00 H new ATOM 784 N ALA B 371 7.089 -9.466 -8.471 1.00 0.00 N ATOM 785 CA ALA B 371 8.335 -9.053 -9.050 1.00 0.00 C ATOM 786 C ALA B 371 8.757 -7.740 -8.424 1.00 0.00 C ATOM 787 O ALA B 371 9.931 -7.371 -8.450 1.00 0.00 O ATOM 788 CB ALA B 371 8.160 -8.883 -10.538 1.00 0.00 C ATOM 0 H ALA B 371 6.279 -9.348 -9.079 1.00 0.00 H new ATOM 0 HA ALA B 371 9.102 -9.805 -8.865 1.00 0.00 H new ATOM 0 HB1 ALA B 371 9.105 -8.569 -10.982 1.00 0.00 H new ATOM 0 HB2 ALA B 371 7.849 -9.830 -10.978 1.00 0.00 H new ATOM 0 HB3 ALA B 371 7.399 -8.126 -10.731 1.00 0.00 H new ATOM 794 N TYR B 372 7.781 -7.036 -7.848 1.00 0.00 N ATOM 795 CA TYR B 372 8.013 -5.675 -7.408 1.00 0.00 C ATOM 796 C TYR B 372 7.121 -5.224 -6.260 1.00 0.00 C ATOM 797 O TYR B 372 7.247 -4.107 -5.780 1.00 0.00 O ATOM 798 CB TYR B 372 7.830 -4.763 -8.585 1.00 0.00 C ATOM 799 CG TYR B 372 6.632 -5.095 -9.413 1.00 0.00 C ATOM 800 CD1 TYR B 372 5.406 -4.576 -9.087 1.00 0.00 C ATOM 801 CD2 TYR B 372 6.743 -5.878 -10.552 1.00 0.00 C ATOM 802 CE1 TYR B 372 4.309 -4.820 -9.870 1.00 0.00 C ATOM 803 CE2 TYR B 372 5.648 -6.143 -11.340 1.00 0.00 C ATOM 804 CZ TYR B 372 4.432 -5.609 -10.999 1.00 0.00 C ATOM 805 OH TYR B 372 3.338 -5.857 -11.788 1.00 0.00 O ATOM 0 H TYR B 372 6.838 -7.386 -7.681 1.00 0.00 H new ATOM 0 HA TYR B 372 9.030 -5.634 -7.017 1.00 0.00 H new ATOM 0 HB2 TYR B 372 7.743 -3.736 -8.229 1.00 0.00 H new ATOM 0 HB3 TYR B 372 8.720 -4.809 -9.213 1.00 0.00 H new ATOM 0 HD1 TYR B 372 5.304 -3.967 -8.201 1.00 0.00 H new ATOM 0 HD2 TYR B 372 7.705 -6.286 -10.824 1.00 0.00 H new ATOM 0 HE1 TYR B 372 3.351 -4.397 -9.606 1.00 0.00 H new ATOM 0 HE2 TYR B 372 5.745 -6.765 -12.218 1.00 0.00 H new ATOM 0 HH TYR B 372 2.531 -5.528 -11.340 1.00 0.00 H new ATOM 815 N ALA B 373 6.223 -6.066 -5.825 1.00 0.00 N ATOM 816 CA ALA B 373 5.399 -5.741 -4.673 1.00 0.00 C ATOM 817 C ALA B 373 5.869 -6.531 -3.504 1.00 0.00 C ATOM 818 O ALA B 373 5.547 -6.241 -2.363 1.00 0.00 O ATOM 819 CB ALA B 373 3.945 -6.043 -4.906 1.00 0.00 C ATOM 0 H ALA B 373 6.038 -6.978 -6.242 1.00 0.00 H new ATOM 0 HA ALA B 373 5.493 -4.670 -4.492 1.00 0.00 H new ATOM 0 HB1 ALA B 373 3.372 -5.783 -4.016 1.00 0.00 H new ATOM 0 HB2 ALA B 373 3.584 -5.460 -5.753 1.00 0.00 H new ATOM 0 HB3 ALA B 373 3.823 -7.105 -5.118 1.00 0.00 H new ATOM 825 N TRP B 374 6.644 -7.540 -3.814 1.00 0.00 N ATOM 826 CA TRP B 374 7.229 -8.387 -2.817 1.00 0.00 C ATOM 827 C TRP B 374 7.935 -7.576 -1.701 1.00 0.00 C ATOM 828 O TRP B 374 7.867 -7.992 -0.552 1.00 0.00 O ATOM 829 CB TRP B 374 8.167 -9.388 -3.501 1.00 0.00 C ATOM 830 CG TRP B 374 9.426 -8.754 -4.012 1.00 0.00 C ATOM 831 CD1 TRP B 374 9.706 -8.414 -5.296 1.00 0.00 C ATOM 832 CD2 TRP B 374 10.536 -8.317 -3.230 1.00 0.00 C ATOM 833 NE1 TRP B 374 10.925 -7.790 -5.365 1.00 0.00 N ATOM 834 CE2 TRP B 374 11.459 -7.718 -4.098 1.00 0.00 C ATOM 835 CE3 TRP B 374 10.820 -8.374 -1.871 1.00 0.00 C ATOM 836 CZ2 TRP B 374 12.658 -7.172 -3.635 1.00 0.00 C ATOM 837 CZ3 TRP B 374 11.986 -7.831 -1.410 1.00 0.00 C ATOM 838 CH2 TRP B 374 12.899 -7.233 -2.283 1.00 0.00 C ATOM 0 H TRP B 374 6.885 -7.794 -4.772 1.00 0.00 H new ATOM 0 HA TRP B 374 6.438 -8.941 -2.311 1.00 0.00 H new ATOM 0 HB2 TRP B 374 8.425 -10.177 -2.795 1.00 0.00 H new ATOM 0 HB3 TRP B 374 7.642 -9.861 -4.331 1.00 0.00 H new ATOM 0 HD1 TRP B 374 9.062 -8.607 -6.141 1.00 0.00 H new ATOM 0 HE1 TRP B 374 11.364 -7.437 -6.215 1.00 0.00 H new ATOM 0 HE3 TRP B 374 10.127 -8.842 -1.187 1.00 0.00 H new ATOM 0 HZ2 TRP B 374 13.368 -6.720 -4.312 1.00 0.00 H new ATOM 0 HZ3 TRP B 374 12.206 -7.864 -0.353 1.00 0.00 H new ATOM 0 HH2 TRP B 374 13.811 -6.811 -1.888 1.00 0.00 H new ATOM 849 N PRO B 375 8.608 -6.398 -1.978 1.00 0.00 N ATOM 850 CA PRO B 375 9.269 -5.629 -0.923 1.00 0.00 C ATOM 851 C PRO B 375 8.276 -4.758 -0.207 1.00 0.00 C ATOM 852 O PRO B 375 8.628 -3.956 0.653 1.00 0.00 O ATOM 853 CB PRO B 375 10.277 -4.781 -1.685 1.00 0.00 C ATOM 854 CG PRO B 375 9.626 -4.498 -2.982 1.00 0.00 C ATOM 855 CD PRO B 375 8.785 -5.717 -3.294 1.00 0.00 C ATOM 0 HA PRO B 375 9.730 -6.255 -0.160 1.00 0.00 H new ATOM 0 HB2 PRO B 375 10.506 -3.861 -1.148 1.00 0.00 H new ATOM 0 HB3 PRO B 375 11.218 -5.313 -1.822 1.00 0.00 H new ATOM 0 HG2 PRO B 375 9.009 -3.602 -2.923 1.00 0.00 H new ATOM 0 HG3 PRO B 375 10.367 -4.324 -3.762 1.00 0.00 H new ATOM 0 HD2 PRO B 375 7.825 -5.436 -3.727 1.00 0.00 H new ATOM 0 HD3 PRO B 375 9.282 -6.368 -4.014 1.00 0.00 H new ATOM 863 N PHE B 376 7.035 -4.911 -0.610 1.00 0.00 N ATOM 864 CA PHE B 376 5.949 -4.208 0.013 1.00 0.00 C ATOM 865 C PHE B 376 5.116 -5.155 0.849 1.00 0.00 C ATOM 866 O PHE B 376 4.562 -4.703 1.824 1.00 0.00 O ATOM 867 CB PHE B 376 5.094 -3.444 -1.005 1.00 0.00 C ATOM 868 CG PHE B 376 5.906 -2.458 -1.790 1.00 0.00 C ATOM 869 CD1 PHE B 376 6.667 -2.879 -2.859 1.00 0.00 C ATOM 870 CD2 PHE B 376 5.950 -1.124 -1.427 1.00 0.00 C ATOM 871 CE1 PHE B 376 7.450 -1.995 -3.562 1.00 0.00 C ATOM 872 CE2 PHE B 376 6.748 -0.230 -2.131 1.00 0.00 C ATOM 873 CZ PHE B 376 7.492 -0.672 -3.198 1.00 0.00 C ATOM 0 H PHE B 376 6.756 -5.524 -1.376 1.00 0.00 H new ATOM 0 HA PHE B 376 6.377 -3.457 0.677 1.00 0.00 H new ATOM 0 HB2 PHE B 376 4.623 -4.152 -1.688 1.00 0.00 H new ATOM 0 HB3 PHE B 376 4.291 -2.921 -0.485 1.00 0.00 H new ATOM 0 HD1 PHE B 376 6.648 -3.919 -3.149 1.00 0.00 H new ATOM 0 HD2 PHE B 376 5.361 -0.775 -0.592 1.00 0.00 H new ATOM 0 HE1 PHE B 376 8.033 -2.342 -4.402 1.00 0.00 H new ATOM 0 HE2 PHE B 376 6.783 0.809 -1.840 1.00 0.00 H new ATOM 0 HZ PHE B 376 8.110 0.021 -3.750 1.00 0.00 H new ATOM 883 N TYR B 377 5.041 -6.475 0.509 1.00 0.00 N ATOM 884 CA TYR B 377 4.330 -7.426 1.400 1.00 0.00 C ATOM 885 C TYR B 377 4.868 -7.207 2.778 1.00 0.00 C ATOM 886 O TYR B 377 4.157 -6.961 3.727 1.00 0.00 O ATOM 887 CB TYR B 377 4.552 -8.917 1.098 1.00 0.00 C ATOM 888 CG TYR B 377 4.447 -9.394 -0.322 1.00 0.00 C ATOM 889 CD1 TYR B 377 4.142 -8.551 -1.354 1.00 0.00 C ATOM 890 CD2 TYR B 377 4.609 -10.744 -0.603 1.00 0.00 C ATOM 891 CE1 TYR B 377 3.993 -9.015 -2.635 1.00 0.00 C ATOM 892 CE2 TYR B 377 4.473 -11.221 -1.881 1.00 0.00 C ATOM 893 CZ TYR B 377 4.161 -10.348 -2.890 1.00 0.00 C ATOM 894 OH TYR B 377 3.988 -10.807 -4.151 1.00 0.00 O ATOM 0 H TYR B 377 5.444 -6.885 -0.334 1.00 0.00 H new ATOM 0 HA TYR B 377 3.267 -7.228 1.265 1.00 0.00 H new ATOM 0 HB2 TYR B 377 5.544 -9.183 1.462 1.00 0.00 H new ATOM 0 HB3 TYR B 377 3.833 -9.484 1.690 1.00 0.00 H new ATOM 0 HD1 TYR B 377 4.016 -7.497 -1.156 1.00 0.00 H new ATOM 0 HD2 TYR B 377 4.846 -11.429 0.198 1.00 0.00 H new ATOM 0 HE1 TYR B 377 3.745 -8.334 -3.436 1.00 0.00 H new ATOM 0 HE2 TYR B 377 4.610 -12.272 -2.090 1.00 0.00 H new ATOM 0 HH TYR B 377 3.279 -11.484 -4.158 1.00 0.00 H new ATOM 904 N LYS B 378 6.153 -7.174 2.830 1.00 0.00 N ATOM 905 CA LYS B 378 6.846 -6.922 4.038 1.00 0.00 C ATOM 906 C LYS B 378 7.391 -5.508 4.029 1.00 0.00 C ATOM 907 O LYS B 378 7.430 -4.847 2.998 1.00 0.00 O ATOM 908 CB LYS B 378 7.931 -7.958 4.213 1.00 0.00 C ATOM 909 CG LYS B 378 8.323 -8.606 2.937 1.00 0.00 C ATOM 910 CD LYS B 378 9.039 -7.624 2.051 1.00 0.00 C ATOM 911 CE LYS B 378 10.540 -7.572 2.301 1.00 0.00 C ATOM 912 NZ LYS B 378 11.145 -8.926 2.416 1.00 0.00 N ATOM 0 H LYS B 378 6.758 -7.324 2.022 1.00 0.00 H new ATOM 0 HA LYS B 378 6.171 -7.001 4.891 1.00 0.00 H new ATOM 0 HB2 LYS B 378 8.807 -7.487 4.660 1.00 0.00 H new ATOM 0 HB3 LYS B 378 7.588 -8.721 4.912 1.00 0.00 H new ATOM 0 HG2 LYS B 378 8.968 -9.461 3.139 1.00 0.00 H new ATOM 0 HG3 LYS B 378 7.438 -8.987 2.428 1.00 0.00 H new ATOM 0 HD2 LYS B 378 8.860 -7.888 1.009 1.00 0.00 H new ATOM 0 HD3 LYS B 378 8.617 -6.631 2.205 1.00 0.00 H new ATOM 0 HE2 LYS B 378 11.022 -7.030 1.487 1.00 0.00 H new ATOM 0 HE3 LYS B 378 10.734 -7.012 3.216 1.00 0.00 H new ATOM 0 HZ1 LYS B 378 12.157 -8.875 2.180 1.00 0.00 H new ATOM 0 HZ2 LYS B 378 11.034 -9.274 3.390 1.00 0.00 H new ATOM 0 HZ3 LYS B 378 10.668 -9.576 1.759 1.00 0.00 H new ATOM 926 N PRO B 379 7.816 -5.050 5.184 1.00 0.00 N ATOM 927 CA PRO B 379 8.242 -3.675 5.413 1.00 0.00 C ATOM 928 C PRO B 379 9.631 -3.402 4.857 1.00 0.00 C ATOM 929 O PRO B 379 10.443 -4.321 4.712 1.00 0.00 O ATOM 930 CB PRO B 379 8.245 -3.562 6.949 1.00 0.00 C ATOM 931 CG PRO B 379 7.695 -4.864 7.455 1.00 0.00 C ATOM 932 CD PRO B 379 7.944 -5.861 6.371 1.00 0.00 C ATOM 0 HA PRO B 379 7.592 -2.954 4.918 1.00 0.00 H new ATOM 0 HB2 PRO B 379 9.253 -3.390 7.327 1.00 0.00 H new ATOM 0 HB3 PRO B 379 7.633 -2.723 7.281 1.00 0.00 H new ATOM 0 HG2 PRO B 379 8.187 -5.162 8.381 1.00 0.00 H new ATOM 0 HG3 PRO B 379 6.630 -4.780 7.672 1.00 0.00 H new ATOM 0 HD2 PRO B 379 8.932 -6.313 6.452 1.00 0.00 H new ATOM 0 HD3 PRO B 379 7.219 -6.674 6.390 1.00 0.00 H new ATOM 940 N VAL B 380 9.883 -2.129 4.540 1.00 0.00 N ATOM 941 CA VAL B 380 11.203 -1.662 4.121 1.00 0.00 C ATOM 942 C VAL B 380 12.277 -2.264 5.012 1.00 0.00 C ATOM 943 O VAL B 380 12.318 -2.030 6.223 1.00 0.00 O ATOM 944 CB VAL B 380 11.282 -0.114 4.112 1.00 0.00 C ATOM 945 CG1 VAL B 380 10.161 0.501 4.935 1.00 0.00 C ATOM 946 CG2 VAL B 380 12.623 0.378 4.607 1.00 0.00 C ATOM 0 H VAL B 380 9.176 -1.394 4.567 1.00 0.00 H new ATOM 0 HA VAL B 380 11.375 -1.996 3.098 1.00 0.00 H new ATOM 0 HB VAL B 380 11.165 0.204 3.076 1.00 0.00 H new ATOM 0 HG11 VAL B 380 10.244 1.587 4.909 1.00 0.00 H new ATOM 0 HG12 VAL B 380 9.199 0.201 4.521 1.00 0.00 H new ATOM 0 HG13 VAL B 380 10.236 0.156 5.966 1.00 0.00 H new ATOM 0 HG21 VAL B 380 12.641 1.468 4.586 1.00 0.00 H new ATOM 0 HG22 VAL B 380 12.783 0.032 5.628 1.00 0.00 H new ATOM 0 HG23 VAL B 380 13.413 -0.010 3.964 1.00 0.00 H new ATOM 956 N ASP B 381 13.111 -3.086 4.403 1.00 0.00 N ATOM 957 CA ASP B 381 14.115 -3.817 5.136 1.00 0.00 C ATOM 958 C ASP B 381 15.361 -2.985 5.295 1.00 0.00 C ATOM 959 O ASP B 381 16.218 -2.939 4.430 1.00 0.00 O ATOM 960 CB ASP B 381 14.419 -5.138 4.454 1.00 0.00 C ATOM 961 CG ASP B 381 15.094 -6.135 5.378 1.00 0.00 C ATOM 962 OD1 ASP B 381 16.097 -5.774 6.033 1.00 0.00 O ATOM 963 OD2 ASP B 381 14.620 -7.291 5.454 1.00 0.00 O ATOM 0 H ASP B 381 13.109 -3.261 3.398 1.00 0.00 H new ATOM 0 HA ASP B 381 13.728 -4.037 6.131 1.00 0.00 H new ATOM 0 HB2 ASP B 381 13.491 -5.569 4.077 1.00 0.00 H new ATOM 0 HB3 ASP B 381 15.060 -4.957 3.591 1.00 0.00 H new ATOM 968 N VAL B 382 15.445 -2.355 6.436 1.00 0.00 N ATOM 969 CA VAL B 382 16.474 -1.383 6.742 1.00 0.00 C ATOM 970 C VAL B 382 17.854 -2.021 6.797 1.00 0.00 C ATOM 971 O VAL B 382 18.876 -1.342 6.705 1.00 0.00 O ATOM 972 CB VAL B 382 16.103 -0.721 8.070 1.00 0.00 C ATOM 973 CG1 VAL B 382 17.101 0.334 8.521 1.00 0.00 C ATOM 974 CG2 VAL B 382 14.701 -0.161 7.927 1.00 0.00 C ATOM 0 H VAL B 382 14.786 -2.503 7.201 1.00 0.00 H new ATOM 0 HA VAL B 382 16.526 -0.634 5.952 1.00 0.00 H new ATOM 0 HB VAL B 382 16.134 -1.470 8.861 1.00 0.00 H new ATOM 0 HG11 VAL B 382 16.775 0.762 9.469 1.00 0.00 H new ATOM 0 HG12 VAL B 382 18.082 -0.124 8.648 1.00 0.00 H new ATOM 0 HG13 VAL B 382 17.162 1.122 7.770 1.00 0.00 H new ATOM 0 HG21 VAL B 382 14.404 0.320 8.859 1.00 0.00 H new ATOM 0 HG22 VAL B 382 14.682 0.571 7.119 1.00 0.00 H new ATOM 0 HG23 VAL B 382 14.007 -0.970 7.699 1.00 0.00 H new ATOM 984 N GLU B 383 17.874 -3.334 6.882 1.00 0.00 N ATOM 985 CA GLU B 383 19.114 -4.069 6.903 1.00 0.00 C ATOM 986 C GLU B 383 19.473 -4.480 5.488 1.00 0.00 C ATOM 987 O GLU B 383 20.559 -4.199 4.984 1.00 0.00 O ATOM 988 CB GLU B 383 18.975 -5.284 7.808 1.00 0.00 C ATOM 989 CG GLU B 383 19.563 -6.527 7.205 1.00 0.00 C ATOM 990 CD GLU B 383 19.991 -7.545 8.234 1.00 0.00 C ATOM 991 OE1 GLU B 383 21.124 -7.433 8.757 1.00 0.00 O ATOM 992 OE2 GLU B 383 19.194 -8.457 8.530 1.00 0.00 O ATOM 0 H GLU B 383 17.037 -3.915 6.938 1.00 0.00 H new ATOM 0 HA GLU B 383 19.914 -3.443 7.298 1.00 0.00 H new ATOM 0 HB2 GLU B 383 19.465 -5.080 8.760 1.00 0.00 H new ATOM 0 HB3 GLU B 383 17.920 -5.453 8.022 1.00 0.00 H new ATOM 0 HG2 GLU B 383 18.830 -6.981 6.538 1.00 0.00 H new ATOM 0 HG3 GLU B 383 20.424 -6.254 6.594 1.00 0.00 H new ATOM 999 N ALA B 384 18.515 -5.121 4.861 1.00 0.00 N ATOM 1000 CA ALA B 384 18.628 -5.607 3.505 1.00 0.00 C ATOM 1001 C ALA B 384 18.903 -4.477 2.536 1.00 0.00 C ATOM 1002 O ALA B 384 19.750 -4.577 1.647 1.00 0.00 O ATOM 1003 CB ALA B 384 17.311 -6.231 3.176 1.00 0.00 C ATOM 0 H ALA B 384 17.612 -5.324 5.290 1.00 0.00 H new ATOM 0 HA ALA B 384 19.454 -6.313 3.422 1.00 0.00 H new ATOM 0 HB1 ALA B 384 17.336 -6.618 2.157 1.00 0.00 H new ATOM 0 HB2 ALA B 384 17.112 -7.048 3.870 1.00 0.00 H new ATOM 0 HB3 ALA B 384 16.523 -5.483 3.260 1.00 0.00 H new ATOM 1009 N LEU B 385 18.167 -3.402 2.725 1.00 0.00 N ATOM 1010 CA LEU B 385 18.219 -2.265 1.838 1.00 0.00 C ATOM 1011 C LEU B 385 19.394 -1.361 2.196 1.00 0.00 C ATOM 1012 O LEU B 385 19.678 -0.395 1.503 1.00 0.00 O ATOM 1013 CB LEU B 385 16.915 -1.477 1.932 1.00 0.00 C ATOM 1014 CG LEU B 385 15.624 -2.281 1.730 1.00 0.00 C ATOM 1015 CD1 LEU B 385 14.460 -1.352 1.399 1.00 0.00 C ATOM 1016 CD2 LEU B 385 15.777 -3.326 0.643 1.00 0.00 C ATOM 0 H LEU B 385 17.514 -3.294 3.502 1.00 0.00 H new ATOM 0 HA LEU B 385 18.353 -2.624 0.818 1.00 0.00 H new ATOM 0 HB2 LEU B 385 16.872 -1.000 2.911 1.00 0.00 H new ATOM 0 HB3 LEU B 385 16.942 -0.679 1.190 1.00 0.00 H new ATOM 0 HG LEU B 385 15.415 -2.798 2.666 1.00 0.00 H new ATOM 0 HD11 LEU B 385 13.553 -1.940 1.259 1.00 0.00 H new ATOM 0 HD12 LEU B 385 14.313 -0.647 2.217 1.00 0.00 H new ATOM 0 HD13 LEU B 385 14.681 -0.803 0.483 1.00 0.00 H new ATOM 0 HD21 LEU B 385 14.841 -3.874 0.531 1.00 0.00 H new ATOM 0 HD22 LEU B 385 16.027 -2.837 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU B 385 16.573 -4.019 0.914 1.00 0.00 H new ATOM 1028 N GLY B 386 20.061 -1.693 3.301 1.00 0.00 N ATOM 1029 CA GLY B 386 21.181 -0.902 3.781 1.00 0.00 C ATOM 1030 C GLY B 386 20.778 0.512 4.111 1.00 0.00 C ATOM 1031 O GLY B 386 21.472 1.473 3.779 1.00 0.00 O ATOM 0 H GLY B 386 19.841 -2.506 3.877 1.00 0.00 H new ATOM 0 HA2 GLY B 386 21.604 -1.374 4.668 1.00 0.00 H new ATOM 0 HA3 GLY B 386 21.965 -0.887 3.024 1.00 0.00 H new ATOM 1035 N LEU B 387 19.655 0.623 4.779 1.00 0.00 N ATOM 1036 CA LEU B 387 19.105 1.905 5.157 1.00 0.00 C ATOM 1037 C LEU B 387 19.733 2.374 6.464 1.00 0.00 C ATOM 1038 O LEU B 387 19.726 1.638 7.446 1.00 0.00 O ATOM 1039 CB LEU B 387 17.614 1.780 5.351 1.00 0.00 C ATOM 1040 CG LEU B 387 16.853 1.150 4.205 1.00 0.00 C ATOM 1041 CD1 LEU B 387 15.403 1.391 4.378 1.00 0.00 C ATOM 1042 CD2 LEU B 387 17.282 1.679 2.872 1.00 0.00 C ATOM 0 H LEU B 387 19.094 -0.175 5.077 1.00 0.00 H new ATOM 0 HA LEU B 387 19.318 2.626 4.368 1.00 0.00 H new ATOM 0 HB2 LEU B 387 17.431 1.192 6.251 1.00 0.00 H new ATOM 0 HB3 LEU B 387 17.205 2.774 5.531 1.00 0.00 H new ATOM 0 HG LEU B 387 17.071 0.082 4.224 1.00 0.00 H new ATOM 0 HD11 LEU B 387 14.857 0.936 3.551 1.00 0.00 H new ATOM 0 HD12 LEU B 387 15.071 0.951 5.318 1.00 0.00 H new ATOM 0 HD13 LEU B 387 15.212 2.464 4.392 1.00 0.00 H new ATOM 0 HD21 LEU B 387 16.705 1.194 2.085 1.00 0.00 H new ATOM 0 HD22 LEU B 387 17.112 2.755 2.836 1.00 0.00 H new ATOM 0 HD23 LEU B 387 18.342 1.474 2.723 1.00 0.00 H new ATOM 1054 N HIS B 388 20.289 3.573 6.492 1.00 0.00 N ATOM 1055 CA HIS B 388 20.822 4.109 7.742 1.00 0.00 C ATOM 1056 C HIS B 388 20.183 5.450 8.073 1.00 0.00 C ATOM 1057 O HIS B 388 20.570 6.121 9.028 1.00 0.00 O ATOM 1058 CB HIS B 388 22.347 4.241 7.686 1.00 0.00 C ATOM 1059 CG HIS B 388 23.074 2.930 7.729 1.00 0.00 C ATOM 1060 ND1 HIS B 388 23.613 2.327 6.612 1.00 0.00 N ATOM 1061 CD2 HIS B 388 23.360 2.109 8.767 1.00 0.00 C ATOM 1062 CE1 HIS B 388 24.195 1.195 6.960 1.00 0.00 C ATOM 1063 NE2 HIS B 388 24.057 1.040 8.262 1.00 0.00 N ATOM 0 H HIS B 388 20.385 4.187 5.683 1.00 0.00 H new ATOM 0 HA HIS B 388 20.574 3.403 8.535 1.00 0.00 H new ATOM 0 HB2 HIS B 388 22.623 4.768 6.773 1.00 0.00 H new ATOM 0 HB3 HIS B 388 22.679 4.857 8.522 1.00 0.00 H new ATOM 0 HD2 HIS B 388 23.090 2.266 9.801 1.00 0.00 H new ATOM 0 HE1 HIS B 388 24.699 0.512 6.292 1.00 0.00 H new ATOM 0 HE2 HIS B 388 24.411 0.253 8.806 1.00 0.00 H new ATOM 1072 N ASP B 389 19.201 5.834 7.270 1.00 0.00 N ATOM 1073 CA ASP B 389 18.466 7.078 7.490 1.00 0.00 C ATOM 1074 C ASP B 389 16.980 6.777 7.629 1.00 0.00 C ATOM 1075 O ASP B 389 16.172 7.665 7.879 1.00 0.00 O ATOM 1076 CB ASP B 389 18.687 8.046 6.321 1.00 0.00 C ATOM 1077 CG ASP B 389 20.151 8.224 5.971 1.00 0.00 C ATOM 1078 OD1 ASP B 389 20.723 7.312 5.342 1.00 0.00 O ATOM 1079 OD2 ASP B 389 20.733 9.274 6.305 1.00 0.00 O ATOM 0 H ASP B 389 18.892 5.302 6.457 1.00 0.00 H new ATOM 0 HA ASP B 389 18.833 7.543 8.405 1.00 0.00 H new ATOM 0 HB2 ASP B 389 18.151 7.679 5.446 1.00 0.00 H new ATOM 0 HB3 ASP B 389 18.258 9.016 6.573 1.00 0.00 H new ATOM 1084 N TYR B 390 16.652 5.502 7.458 1.00 0.00 N ATOM 1085 CA TYR B 390 15.284 4.987 7.475 1.00 0.00 C ATOM 1086 C TYR B 390 14.391 5.616 8.529 1.00 0.00 C ATOM 1087 O TYR B 390 13.379 6.192 8.196 1.00 0.00 O ATOM 1088 CB TYR B 390 15.343 3.520 7.700 1.00 0.00 C ATOM 1089 CG TYR B 390 14.033 2.919 8.039 1.00 0.00 C ATOM 1090 CD1 TYR B 390 13.066 2.831 7.079 1.00 0.00 C ATOM 1091 CD2 TYR B 390 13.771 2.423 9.311 1.00 0.00 C ATOM 1092 CE1 TYR B 390 11.864 2.259 7.345 1.00 0.00 C ATOM 1093 CE2 TYR B 390 12.559 1.848 9.599 1.00 0.00 C ATOM 1094 CZ TYR B 390 11.607 1.760 8.613 1.00 0.00 C ATOM 1095 OH TYR B 390 10.414 1.155 8.890 1.00 0.00 O ATOM 0 H TYR B 390 17.349 4.775 7.299 1.00 0.00 H new ATOM 0 HA TYR B 390 14.838 5.242 6.514 1.00 0.00 H new ATOM 0 HB2 TYR B 390 15.733 3.039 6.803 1.00 0.00 H new ATOM 0 HB3 TYR B 390 16.048 3.312 8.505 1.00 0.00 H new ATOM 0 HD1 TYR B 390 13.261 3.223 6.092 1.00 0.00 H new ATOM 0 HD2 TYR B 390 14.528 2.491 10.079 1.00 0.00 H new ATOM 0 HE1 TYR B 390 11.112 2.193 6.573 1.00 0.00 H new ATOM 0 HE2 TYR B 390 12.356 1.469 10.590 1.00 0.00 H new ATOM 0 HH TYR B 390 10.404 0.864 9.826 1.00 0.00 H new ATOM 1105 N CYS B 391 14.761 5.497 9.794 1.00 0.00 N ATOM 1106 CA CYS B 391 13.878 5.902 10.883 1.00 0.00 C ATOM 1107 C CYS B 391 13.682 7.419 10.901 1.00 0.00 C ATOM 1108 O CYS B 391 12.776 7.937 11.557 1.00 0.00 O ATOM 1109 CB CYS B 391 14.438 5.402 12.217 1.00 0.00 C ATOM 1110 SG CYS B 391 13.392 5.745 13.651 1.00 0.00 S ATOM 0 H CYS B 391 15.662 5.125 10.094 1.00 0.00 H new ATOM 0 HA CYS B 391 12.898 5.452 10.724 1.00 0.00 H new ATOM 0 HB2 CYS B 391 14.596 4.326 12.149 1.00 0.00 H new ATOM 0 HB3 CYS B 391 15.415 5.858 12.379 1.00 0.00 H new ATOM 0 HG CYS B 391 12.675 6.805 13.422 1.00 0.00 H new ATOM 1116 N ASP B 392 14.525 8.118 10.160 1.00 0.00 N ATOM 1117 CA ASP B 392 14.395 9.554 9.990 1.00 0.00 C ATOM 1118 C ASP B 392 13.405 9.848 8.913 1.00 0.00 C ATOM 1119 O ASP B 392 12.544 10.713 9.046 1.00 0.00 O ATOM 1120 CB ASP B 392 15.730 10.166 9.621 1.00 0.00 C ATOM 1121 CG ASP B 392 16.412 10.850 10.787 1.00 0.00 C ATOM 1122 OD1 ASP B 392 17.086 10.154 11.580 1.00 0.00 O ATOM 1123 OD2 ASP B 392 16.285 12.085 10.914 1.00 0.00 O ATOM 0 H ASP B 392 15.315 7.708 9.662 1.00 0.00 H new ATOM 0 HA ASP B 392 14.054 9.984 10.931 1.00 0.00 H new ATOM 0 HB2 ASP B 392 16.385 9.387 9.231 1.00 0.00 H new ATOM 0 HB3 ASP B 392 15.582 10.889 8.819 1.00 0.00 H new ATOM 1128 N ILE B 393 13.556 9.124 7.843 1.00 0.00 N ATOM 1129 CA ILE B 393 12.630 9.178 6.757 1.00 0.00 C ATOM 1130 C ILE B 393 11.274 8.688 7.190 1.00 0.00 C ATOM 1131 O ILE B 393 10.273 9.401 7.194 1.00 0.00 O ATOM 1132 CB ILE B 393 13.086 8.266 5.627 1.00 0.00 C ATOM 1133 CG1 ILE B 393 14.367 8.792 5.041 1.00 0.00 C ATOM 1134 CG2 ILE B 393 11.999 8.234 4.577 1.00 0.00 C ATOM 1135 CD1 ILE B 393 15.479 7.807 4.960 1.00 0.00 C ATOM 0 H ILE B 393 14.331 8.476 7.701 1.00 0.00 H new ATOM 0 HA ILE B 393 12.579 10.216 6.428 1.00 0.00 H new ATOM 0 HB ILE B 393 13.267 7.257 5.999 1.00 0.00 H new ATOM 0 HG12 ILE B 393 14.162 9.167 4.038 1.00 0.00 H new ATOM 0 HG13 ILE B 393 14.699 9.642 5.638 1.00 0.00 H new ATOM 0 HG21 ILE B 393 12.305 7.585 3.756 1.00 0.00 H new ATOM 0 HG22 ILE B 393 11.078 7.852 5.018 1.00 0.00 H new ATOM 0 HG23 ILE B 393 11.829 9.242 4.199 1.00 0.00 H new ATOM 0 HD11 ILE B 393 16.357 8.284 4.524 1.00 0.00 H new ATOM 0 HD12 ILE B 393 15.721 7.448 5.960 1.00 0.00 H new ATOM 0 HD13 ILE B 393 15.176 6.966 4.336 1.00 0.00 H new ATOM 1147 N ILE B 394 11.297 7.448 7.565 1.00 0.00 N ATOM 1148 CA ILE B 394 10.138 6.641 7.705 1.00 0.00 C ATOM 1149 C ILE B 394 9.566 6.723 9.090 1.00 0.00 C ATOM 1150 O ILE B 394 10.169 6.293 10.071 1.00 0.00 O ATOM 1151 CB ILE B 394 10.501 5.199 7.379 1.00 0.00 C ATOM 1152 CG1 ILE B 394 11.008 5.075 5.940 1.00 0.00 C ATOM 1153 CG2 ILE B 394 9.341 4.283 7.653 1.00 0.00 C ATOM 1154 CD1 ILE B 394 9.962 5.296 4.888 1.00 0.00 C ATOM 0 H ILE B 394 12.161 6.955 7.790 1.00 0.00 H new ATOM 0 HA ILE B 394 9.377 7.007 7.016 1.00 0.00 H new ATOM 0 HB ILE B 394 11.317 4.890 8.032 1.00 0.00 H new ATOM 0 HG12 ILE B 394 11.814 5.794 5.789 1.00 0.00 H new ATOM 0 HG13 ILE B 394 11.437 4.082 5.804 1.00 0.00 H new ATOM 0 HG21 ILE B 394 9.622 3.258 7.413 1.00 0.00 H new ATOM 0 HG22 ILE B 394 9.068 4.347 8.706 1.00 0.00 H new ATOM 0 HG23 ILE B 394 8.491 4.579 7.039 1.00 0.00 H new ATOM 0 HD11 ILE B 394 10.411 5.189 3.900 1.00 0.00 H new ATOM 0 HD12 ILE B 394 9.166 4.561 5.007 1.00 0.00 H new ATOM 0 HD13 ILE B 394 9.548 6.299 4.991 1.00 0.00 H new ATOM 1166 N LYS B 395 8.391 7.292 9.144 1.00 0.00 N ATOM 1167 CA LYS B 395 7.671 7.431 10.377 1.00 0.00 C ATOM 1168 C LYS B 395 6.620 6.347 10.453 1.00 0.00 C ATOM 1169 O LYS B 395 6.312 5.816 11.515 1.00 0.00 O ATOM 1170 CB LYS B 395 7.018 8.777 10.430 1.00 0.00 C ATOM 1171 CG LYS B 395 7.794 9.864 9.717 1.00 0.00 C ATOM 1172 CD LYS B 395 9.276 9.901 10.048 1.00 0.00 C ATOM 1173 CE LYS B 395 9.797 11.325 10.074 1.00 0.00 C ATOM 1174 NZ LYS B 395 9.231 12.109 11.205 1.00 0.00 N ATOM 0 H LYS B 395 7.907 7.672 8.331 1.00 0.00 H new ATOM 0 HA LYS B 395 8.356 7.338 11.219 1.00 0.00 H new ATOM 0 HB2 LYS B 395 6.024 8.705 9.989 1.00 0.00 H new ATOM 0 HB3 LYS B 395 6.884 9.064 11.473 1.00 0.00 H new ATOM 0 HG2 LYS B 395 7.678 9.730 8.642 1.00 0.00 H new ATOM 0 HG3 LYS B 395 7.355 10.830 9.967 1.00 0.00 H new ATOM 0 HD2 LYS B 395 9.447 9.431 11.016 1.00 0.00 H new ATOM 0 HD3 LYS B 395 9.831 9.321 9.310 1.00 0.00 H new ATOM 0 HE2 LYS B 395 10.884 11.311 10.152 1.00 0.00 H new ATOM 0 HE3 LYS B 395 9.551 11.818 9.133 1.00 0.00 H new ATOM 0 HZ1 LYS B 395 9.889 12.872 11.462 1.00 0.00 H new ATOM 0 HZ2 LYS B 395 8.319 12.520 10.921 1.00 0.00 H new ATOM 0 HZ3 LYS B 395 9.089 11.484 12.024 1.00 0.00 H new ATOM 1188 N HIS B 396 6.090 6.018 9.283 1.00 0.00 N ATOM 1189 CA HIS B 396 5.081 4.998 9.142 1.00 0.00 C ATOM 1190 C HIS B 396 5.264 4.299 7.829 1.00 0.00 C ATOM 1191 O HIS B 396 4.741 4.693 6.790 1.00 0.00 O ATOM 1192 CB HIS B 396 3.657 5.546 9.254 1.00 0.00 C ATOM 1193 CG HIS B 396 3.453 6.924 8.698 1.00 0.00 C ATOM 1194 ND1 HIS B 396 4.207 7.653 7.849 1.00 0.00 N flip ATOM 1195 CD2 HIS B 396 2.350 7.695 8.982 1.00 0.00 C flip ATOM 1196 CE1 HIS B 396 3.552 8.839 7.630 1.00 0.00 C flip ATOM 1197 NE2 HIS B 396 2.432 8.835 8.329 1.00 0.00 N flip ATOM 0 H HIS B 396 6.356 6.460 8.403 1.00 0.00 H new ATOM 0 HA HIS B 396 5.208 4.297 9.967 1.00 0.00 H new ATOM 0 HB2 HIS B 396 2.981 4.862 8.741 1.00 0.00 H new ATOM 0 HB3 HIS B 396 3.369 5.550 10.305 1.00 0.00 H new ATOM 0 HD2 HIS B 396 1.542 7.409 9.639 1.00 0.00 H new ATOM 0 HE1 HIS B 396 3.895 9.641 6.993 1.00 0.00 H new ATOM 0 HE2 HIS B 396 1.745 9.589 8.358 1.00 0.00 H new ATOM 1206 N PRO B 397 6.075 3.278 7.892 1.00 0.00 N ATOM 1207 CA PRO B 397 6.292 2.364 6.813 1.00 0.00 C ATOM 1208 C PRO B 397 5.185 1.335 6.779 1.00 0.00 C ATOM 1209 O PRO B 397 5.000 0.567 7.725 1.00 0.00 O ATOM 1210 CB PRO B 397 7.602 1.710 7.174 1.00 0.00 C ATOM 1211 CG PRO B 397 7.682 1.794 8.646 1.00 0.00 C ATOM 1212 CD PRO B 397 6.831 2.927 9.082 1.00 0.00 C ATOM 0 HA PRO B 397 6.307 2.843 5.834 1.00 0.00 H new ATOM 0 HB2 PRO B 397 7.632 0.674 6.836 1.00 0.00 H new ATOM 0 HB3 PRO B 397 8.441 2.223 6.704 1.00 0.00 H new ATOM 0 HG2 PRO B 397 7.342 0.864 9.101 1.00 0.00 H new ATOM 0 HG3 PRO B 397 8.713 1.946 8.964 1.00 0.00 H new ATOM 0 HD2 PRO B 397 6.173 2.639 9.902 1.00 0.00 H new ATOM 0 HD3 PRO B 397 7.432 3.765 9.434 1.00 0.00 H new ATOM 1220 N MET B 398 4.447 1.321 5.709 1.00 0.00 N ATOM 1221 CA MET B 398 3.382 0.369 5.568 1.00 0.00 C ATOM 1222 C MET B 398 3.887 -0.825 4.800 1.00 0.00 C ATOM 1223 O MET B 398 4.853 -0.720 4.044 1.00 0.00 O ATOM 1224 CB MET B 398 2.204 1.003 4.888 1.00 0.00 C ATOM 1225 CG MET B 398 1.005 0.101 4.783 1.00 0.00 C ATOM 1226 SD MET B 398 0.744 -0.919 6.249 1.00 0.00 S ATOM 1227 CE MET B 398 0.782 0.356 7.490 1.00 0.00 C ATOM 0 H MET B 398 4.562 1.957 4.920 1.00 0.00 H new ATOM 0 HA MET B 398 3.050 0.035 6.551 1.00 0.00 H new ATOM 0 HB2 MET B 398 1.923 1.904 5.434 1.00 0.00 H new ATOM 0 HB3 MET B 398 2.500 1.317 3.887 1.00 0.00 H new ATOM 0 HG2 MET B 398 0.117 0.709 4.609 1.00 0.00 H new ATOM 0 HG3 MET B 398 1.122 -0.547 3.915 1.00 0.00 H new ATOM 0 HE1 MET B 398 0.411 -0.044 8.434 1.00 0.00 H new ATOM 0 HE2 MET B 398 1.806 0.706 7.621 1.00 0.00 H new ATOM 0 HE3 MET B 398 0.152 1.188 7.176 1.00 0.00 H new ATOM 1237 N ASP B 399 3.264 -1.950 5.015 1.00 0.00 N ATOM 1238 CA ASP B 399 3.606 -3.142 4.295 1.00 0.00 C ATOM 1239 C ASP B 399 2.336 -3.842 3.876 1.00 0.00 C ATOM 1240 O ASP B 399 1.422 -4.013 4.682 1.00 0.00 O ATOM 1241 CB ASP B 399 4.484 -4.066 5.151 1.00 0.00 C ATOM 1242 CG ASP B 399 3.800 -4.552 6.416 1.00 0.00 C ATOM 1243 OD1 ASP B 399 3.740 -3.788 7.402 1.00 0.00 O ATOM 1244 OD2 ASP B 399 3.335 -5.710 6.442 1.00 0.00 O ATOM 0 H ASP B 399 2.509 -2.065 5.691 1.00 0.00 H new ATOM 0 HA ASP B 399 4.182 -2.876 3.408 1.00 0.00 H new ATOM 0 HB2 ASP B 399 4.780 -4.928 4.554 1.00 0.00 H new ATOM 0 HB3 ASP B 399 5.398 -3.537 5.422 1.00 0.00 H new ATOM 1249 N MET B 400 2.304 -4.207 2.591 1.00 0.00 N ATOM 1250 CA MET B 400 1.209 -4.928 1.946 1.00 0.00 C ATOM 1251 C MET B 400 0.683 -6.053 2.835 1.00 0.00 C ATOM 1252 O MET B 400 -0.460 -6.454 2.709 1.00 0.00 O ATOM 1253 CB MET B 400 1.690 -5.532 0.605 1.00 0.00 C ATOM 1254 CG MET B 400 1.802 -4.590 -0.581 1.00 0.00 C ATOM 1255 SD MET B 400 2.763 -5.302 -1.910 1.00 0.00 S ATOM 1256 CE MET B 400 1.720 -6.667 -2.377 1.00 0.00 C ATOM 0 H MET B 400 3.070 -3.999 1.950 1.00 0.00 H new ATOM 0 HA MET B 400 0.403 -4.215 1.769 1.00 0.00 H new ATOM 0 HB2 MET B 400 2.668 -5.985 0.770 1.00 0.00 H new ATOM 0 HB3 MET B 400 1.008 -6.337 0.333 1.00 0.00 H new ATOM 0 HG2 MET B 400 0.804 -4.345 -0.945 1.00 0.00 H new ATOM 0 HG3 MET B 400 2.263 -3.656 -0.260 1.00 0.00 H new ATOM 0 HE1 MET B 400 2.066 -7.083 -3.323 1.00 0.00 H new ATOM 0 HE2 MET B 400 1.761 -7.437 -1.606 1.00 0.00 H new ATOM 0 HE3 MET B 400 0.693 -6.319 -2.488 1.00 0.00 H new ATOM 1266 N SER B 401 1.510 -6.552 3.739 1.00 0.00 N ATOM 1267 CA SER B 401 1.121 -7.666 4.575 1.00 0.00 C ATOM 1268 C SER B 401 0.295 -7.210 5.789 1.00 0.00 C ATOM 1269 O SER B 401 -0.645 -7.902 6.163 1.00 0.00 O ATOM 1270 CB SER B 401 2.364 -8.469 5.011 1.00 0.00 C ATOM 1271 OG SER B 401 2.012 -9.764 5.470 1.00 0.00 O ATOM 0 H SER B 401 2.452 -6.201 3.909 1.00 0.00 H new ATOM 0 HA SER B 401 0.479 -8.319 3.984 1.00 0.00 H new ATOM 0 HB2 SER B 401 3.056 -8.555 4.173 1.00 0.00 H new ATOM 0 HB3 SER B 401 2.887 -7.931 5.802 1.00 0.00 H new ATOM 0 HG SER B 401 2.821 -10.248 5.737 1.00 0.00 H new ATOM 1277 N THR B 402 0.613 -6.060 6.407 1.00 0.00 N ATOM 1278 CA THR B 402 -0.232 -5.552 7.497 1.00 0.00 C ATOM 1279 C THR B 402 -1.562 -5.135 6.958 1.00 0.00 C ATOM 1280 O THR B 402 -2.579 -5.622 7.398 1.00 0.00 O ATOM 1281 CB THR B 402 0.305 -4.322 8.234 1.00 0.00 C ATOM 1282 OG1 THR B 402 1.620 -4.579 8.747 1.00 0.00 O ATOM 1283 CG2 THR B 402 -0.644 -3.952 9.390 1.00 0.00 C ATOM 0 H THR B 402 1.422 -5.482 6.180 1.00 0.00 H new ATOM 0 HA THR B 402 -0.272 -6.385 8.199 1.00 0.00 H new ATOM 0 HB THR B 402 0.361 -3.490 7.532 1.00 0.00 H new ATOM 0 HG1 THR B 402 2.274 -4.039 8.256 1.00 0.00 H new ATOM 0 HG21 THR B 402 -0.258 -3.076 9.912 1.00 0.00 H new ATOM 0 HG22 THR B 402 -1.634 -3.730 8.991 1.00 0.00 H new ATOM 0 HG23 THR B 402 -0.713 -4.788 10.086 1.00 0.00 H new ATOM 1291 N ILE B 403 -1.540 -4.208 6.013 1.00 0.00 N ATOM 1292 CA ILE B 403 -2.734 -3.718 5.394 1.00 0.00 C ATOM 1293 C ILE B 403 -3.637 -4.863 4.990 1.00 0.00 C ATOM 1294 O ILE B 403 -4.848 -4.825 5.181 1.00 0.00 O ATOM 1295 CB ILE B 403 -2.325 -2.856 4.208 1.00 0.00 C ATOM 1296 CG1 ILE B 403 -3.382 -2.767 3.174 1.00 0.00 C ATOM 1297 CG2 ILE B 403 -1.064 -3.379 3.546 1.00 0.00 C ATOM 1298 CD1 ILE B 403 -2.826 -2.038 2.008 1.00 0.00 C ATOM 0 H ILE B 403 -0.683 -3.781 5.661 1.00 0.00 H new ATOM 0 HA ILE B 403 -3.310 -3.111 6.093 1.00 0.00 H new ATOM 0 HB ILE B 403 -2.149 -1.863 4.622 1.00 0.00 H new ATOM 0 HG12 ILE B 403 -3.710 -3.764 2.879 1.00 0.00 H new ATOM 0 HG13 ILE B 403 -4.256 -2.247 3.567 1.00 0.00 H new ATOM 0 HG21 ILE B 403 -0.803 -2.738 2.704 1.00 0.00 H new ATOM 0 HG22 ILE B 403 -0.248 -3.380 4.268 1.00 0.00 H new ATOM 0 HG23 ILE B 403 -1.235 -4.395 3.190 1.00 0.00 H new ATOM 0 HD11 ILE B 403 -3.587 -1.959 1.231 1.00 0.00 H new ATOM 0 HD12 ILE B 403 -2.518 -1.039 2.317 1.00 0.00 H new ATOM 0 HD13 ILE B 403 -1.964 -2.579 1.618 1.00 0.00 H new ATOM 1310 N LYS B 404 -3.022 -5.902 4.495 1.00 0.00 N ATOM 1311 CA LYS B 404 -3.705 -7.119 4.196 1.00 0.00 C ATOM 1312 C LYS B 404 -4.193 -7.807 5.455 1.00 0.00 C ATOM 1313 O LYS B 404 -5.333 -8.207 5.554 1.00 0.00 O ATOM 1314 CB LYS B 404 -2.725 -7.994 3.514 1.00 0.00 C ATOM 1315 CG LYS B 404 -2.953 -9.463 3.653 1.00 0.00 C ATOM 1316 CD LYS B 404 -1.808 -10.131 3.002 1.00 0.00 C ATOM 1317 CE LYS B 404 -0.776 -10.505 4.033 1.00 0.00 C ATOM 1318 NZ LYS B 404 -1.229 -11.614 4.915 1.00 0.00 N ATOM 0 H LYS B 404 -2.023 -5.922 4.288 1.00 0.00 H new ATOM 0 HA LYS B 404 -4.579 -6.914 3.577 1.00 0.00 H new ATOM 0 HB2 LYS B 404 -2.722 -7.745 2.453 1.00 0.00 H new ATOM 0 HB3 LYS B 404 -1.732 -7.762 3.898 1.00 0.00 H new ATOM 0 HG2 LYS B 404 -3.021 -9.747 4.703 1.00 0.00 H new ATOM 0 HG3 LYS B 404 -3.891 -9.756 3.182 1.00 0.00 H new ATOM 0 HD2 LYS B 404 -2.148 -11.023 2.476 1.00 0.00 H new ATOM 0 HD3 LYS B 404 -1.366 -9.470 2.257 1.00 0.00 H new ATOM 0 HE2 LYS B 404 0.146 -10.798 3.530 1.00 0.00 H new ATOM 0 HE3 LYS B 404 -0.543 -9.632 4.643 1.00 0.00 H new ATOM 0 HZ1 LYS B 404 -0.430 -11.948 5.491 1.00 0.00 H new ATOM 0 HZ2 LYS B 404 -1.988 -11.273 5.539 1.00 0.00 H new ATOM 0 HZ3 LYS B 404 -1.586 -12.398 4.332 1.00 0.00 H new ATOM 1332 N SER B 405 -3.280 -7.982 6.385 1.00 0.00 N ATOM 1333 CA SER B 405 -3.579 -8.574 7.683 1.00 0.00 C ATOM 1334 C SER B 405 -4.766 -7.876 8.320 1.00 0.00 C ATOM 1335 O SER B 405 -5.584 -8.502 8.974 1.00 0.00 O ATOM 1336 CB SER B 405 -2.381 -8.420 8.617 1.00 0.00 C ATOM 1337 OG SER B 405 -2.164 -9.588 9.396 1.00 0.00 O ATOM 0 H SER B 405 -2.302 -7.718 6.267 1.00 0.00 H new ATOM 0 HA SER B 405 -3.805 -9.629 7.529 1.00 0.00 H new ATOM 0 HB2 SER B 405 -1.488 -8.204 8.030 1.00 0.00 H new ATOM 0 HB3 SER B 405 -2.542 -7.568 9.277 1.00 0.00 H new ATOM 0 HG SER B 405 -1.389 -9.452 9.980 1.00 0.00 H new ATOM 1343 N LYS B 406 -4.831 -6.568 8.129 1.00 0.00 N ATOM 1344 CA LYS B 406 -5.902 -5.761 8.666 1.00 0.00 C ATOM 1345 C LYS B 406 -7.186 -6.025 7.886 1.00 0.00 C ATOM 1346 O LYS B 406 -8.264 -6.026 8.455 1.00 0.00 O ATOM 1347 CB LYS B 406 -5.554 -4.302 8.573 1.00 0.00 C ATOM 1348 CG LYS B 406 -4.165 -3.978 9.054 1.00 0.00 C ATOM 1349 CD LYS B 406 -3.968 -4.145 10.535 1.00 0.00 C ATOM 1350 CE LYS B 406 -5.054 -3.452 11.312 1.00 0.00 C ATOM 1351 NZ LYS B 406 -4.843 -3.530 12.781 1.00 0.00 N ATOM 0 H LYS B 406 -4.140 -6.041 7.596 1.00 0.00 H new ATOM 0 HA LYS B 406 -6.047 -6.026 9.713 1.00 0.00 H new ATOM 0 HB2 LYS B 406 -5.654 -3.979 7.537 1.00 0.00 H new ATOM 0 HB3 LYS B 406 -6.274 -3.728 9.157 1.00 0.00 H new ATOM 0 HG2 LYS B 406 -3.454 -4.617 8.530 1.00 0.00 H new ATOM 0 HG3 LYS B 406 -3.930 -2.949 8.782 1.00 0.00 H new ATOM 0 HD2 LYS B 406 -3.959 -5.206 10.786 1.00 0.00 H new ATOM 0 HD3 LYS B 406 -2.997 -3.741 10.823 1.00 0.00 H new ATOM 0 HE2 LYS B 406 -5.101 -2.406 11.010 1.00 0.00 H new ATOM 0 HE3 LYS B 406 -6.016 -3.899 11.062 1.00 0.00 H new ATOM 0 HZ1 LYS B 406 -5.717 -3.255 13.272 1.00 0.00 H new ATOM 0 HZ2 LYS B 406 -4.589 -4.504 13.044 1.00 0.00 H new ATOM 0 HZ3 LYS B 406 -4.074 -2.886 13.056 1.00 0.00 H new ATOM 1365 N LEU B 407 -7.063 -6.183 6.561 1.00 0.00 N ATOM 1366 CA LEU B 407 -8.123 -6.753 5.743 1.00 0.00 C ATOM 1367 C LEU B 407 -8.593 -8.052 6.356 1.00 0.00 C ATOM 1368 O LEU B 407 -9.779 -8.271 6.589 1.00 0.00 O ATOM 1369 CB LEU B 407 -7.600 -7.098 4.346 1.00 0.00 C ATOM 1370 CG LEU B 407 -6.956 -5.973 3.562 1.00 0.00 C ATOM 1371 CD1 LEU B 407 -6.863 -6.342 2.119 1.00 0.00 C ATOM 1372 CD2 LEU B 407 -7.813 -4.778 3.701 1.00 0.00 C ATOM 0 H LEU B 407 -6.229 -5.919 6.036 1.00 0.00 H new ATOM 0 HA LEU B 407 -8.927 -6.019 5.684 1.00 0.00 H new ATOM 0 HB2 LEU B 407 -6.872 -7.903 4.445 1.00 0.00 H new ATOM 0 HB3 LEU B 407 -8.431 -7.489 3.759 1.00 0.00 H new ATOM 0 HG LEU B 407 -5.952 -5.780 3.940 1.00 0.00 H new ATOM 0 HD11 LEU B 407 -6.399 -5.527 1.564 1.00 0.00 H new ATOM 0 HD12 LEU B 407 -6.260 -7.243 2.012 1.00 0.00 H new ATOM 0 HD13 LEU B 407 -7.863 -6.526 1.725 1.00 0.00 H new ATOM 0 HD21 LEU B 407 -7.374 -3.949 3.146 1.00 0.00 H new ATOM 0 HD22 LEU B 407 -8.806 -4.994 3.306 1.00 0.00 H new ATOM 0 HD23 LEU B 407 -7.893 -4.508 4.754 1.00 0.00 H new ATOM 1384 N GLU B 408 -7.618 -8.909 6.606 1.00 0.00 N ATOM 1385 CA GLU B 408 -7.839 -10.222 7.170 1.00 0.00 C ATOM 1386 C GLU B 408 -8.314 -10.098 8.608 1.00 0.00 C ATOM 1387 O GLU B 408 -8.757 -11.060 9.232 1.00 0.00 O ATOM 1388 CB GLU B 408 -6.536 -11.027 7.101 1.00 0.00 C ATOM 1389 CG GLU B 408 -5.937 -11.108 5.708 1.00 0.00 C ATOM 1390 CD GLU B 408 -4.755 -12.042 5.633 1.00 0.00 C ATOM 1391 OE1 GLU B 408 -3.641 -11.635 6.023 1.00 0.00 O ATOM 1392 OE2 GLU B 408 -4.925 -13.186 5.165 1.00 0.00 O ATOM 0 H GLU B 408 -6.636 -8.705 6.418 1.00 0.00 H new ATOM 0 HA GLU B 408 -8.609 -10.741 6.599 1.00 0.00 H new ATOM 0 HB2 GLU B 408 -5.806 -10.577 7.774 1.00 0.00 H new ATOM 0 HB3 GLU B 408 -6.725 -12.037 7.464 1.00 0.00 H new ATOM 0 HG2 GLU B 408 -6.702 -11.441 5.007 1.00 0.00 H new ATOM 0 HG3 GLU B 408 -5.628 -10.112 5.392 1.00 0.00 H new ATOM 1399 N ALA B 409 -8.212 -8.887 9.108 1.00 0.00 N ATOM 1400 CA ALA B 409 -8.608 -8.553 10.456 1.00 0.00 C ATOM 1401 C ALA B 409 -9.922 -7.812 10.457 1.00 0.00 C ATOM 1402 O ALA B 409 -10.529 -7.600 11.507 1.00 0.00 O ATOM 1403 CB ALA B 409 -7.508 -7.729 11.127 1.00 0.00 C ATOM 0 H ALA B 409 -7.846 -8.095 8.580 1.00 0.00 H new ATOM 0 HA ALA B 409 -8.749 -9.472 11.025 1.00 0.00 H new ATOM 0 HB1 ALA B 409 -7.810 -7.479 12.144 1.00 0.00 H new ATOM 0 HB2 ALA B 409 -6.585 -8.308 11.155 1.00 0.00 H new ATOM 0 HB3 ALA B 409 -7.344 -6.812 10.561 1.00 0.00 H new ATOM 1409 N ARG B 410 -10.351 -7.421 9.258 1.00 0.00 N ATOM 1410 CA ARG B 410 -11.534 -6.591 9.076 1.00 0.00 C ATOM 1411 C ARG B 410 -11.391 -5.304 9.877 1.00 0.00 C ATOM 1412 O ARG B 410 -12.357 -4.579 10.134 1.00 0.00 O ATOM 1413 CB ARG B 410 -12.791 -7.369 9.462 1.00 0.00 C ATOM 1414 CG ARG B 410 -13.327 -8.264 8.354 1.00 0.00 C ATOM 1415 CD ARG B 410 -12.342 -9.357 7.954 1.00 0.00 C ATOM 1416 NE ARG B 410 -12.195 -10.378 8.989 1.00 0.00 N ATOM 1417 CZ ARG B 410 -11.842 -11.639 8.742 1.00 0.00 C ATOM 1418 NH1 ARG B 410 -11.695 -12.058 7.489 1.00 0.00 N ATOM 1419 NH2 ARG B 410 -11.666 -12.490 9.745 1.00 0.00 N ATOM 0 H ARG B 410 -9.885 -7.673 8.386 1.00 0.00 H new ATOM 0 HA ARG B 410 -11.631 -6.319 8.025 1.00 0.00 H new ATOM 0 HB2 ARG B 410 -12.573 -7.982 10.337 1.00 0.00 H new ATOM 0 HB3 ARG B 410 -13.568 -6.663 9.753 1.00 0.00 H new ATOM 0 HG2 ARG B 410 -14.260 -8.723 8.682 1.00 0.00 H new ATOM 0 HG3 ARG B 410 -13.562 -7.654 7.481 1.00 0.00 H new ATOM 0 HD2 ARG B 410 -12.679 -9.826 7.030 1.00 0.00 H new ATOM 0 HD3 ARG B 410 -11.370 -8.909 7.748 1.00 0.00 H new ATOM 0 HE ARG B 410 -12.373 -10.110 9.957 1.00 0.00 H new ATOM 0 HH11 ARG B 410 -11.852 -11.414 6.714 1.00 0.00 H new ATOM 0 HH12 ARG B 410 -11.425 -13.024 7.303 1.00 0.00 H new ATOM 0 HH21 ARG B 410 -11.801 -12.179 10.707 1.00 0.00 H new ATOM 0 HH22 ARG B 410 -11.396 -13.455 9.554 1.00 0.00 H new ATOM 1433 N GLU B 411 -10.147 -5.057 10.246 1.00 0.00 N ATOM 1434 CA GLU B 411 -9.701 -3.832 10.855 1.00 0.00 C ATOM 1435 C GLU B 411 -9.989 -2.685 9.913 1.00 0.00 C ATOM 1436 O GLU B 411 -10.321 -1.575 10.323 1.00 0.00 O ATOM 1437 CB GLU B 411 -8.212 -3.971 11.101 1.00 0.00 C ATOM 1438 CG GLU B 411 -7.864 -4.685 12.393 1.00 0.00 C ATOM 1439 CD GLU B 411 -8.349 -3.956 13.622 1.00 0.00 C ATOM 1440 OE1 GLU B 411 -7.724 -2.944 13.997 1.00 0.00 O ATOM 1441 OE2 GLU B 411 -9.353 -4.390 14.218 1.00 0.00 O ATOM 0 H GLU B 411 -9.396 -5.736 10.122 1.00 0.00 H new ATOM 0 HA GLU B 411 -10.214 -3.636 11.796 1.00 0.00 H new ATOM 0 HB2 GLU B 411 -7.765 -4.512 10.267 1.00 0.00 H new ATOM 0 HB3 GLU B 411 -7.762 -2.978 11.114 1.00 0.00 H new ATOM 0 HG2 GLU B 411 -8.297 -5.685 12.376 1.00 0.00 H new ATOM 0 HG3 GLU B 411 -6.783 -4.807 12.454 1.00 0.00 H new ATOM 1448 N TYR B 412 -9.851 -2.986 8.636 1.00 0.00 N ATOM 1449 CA TYR B 412 -10.293 -2.105 7.587 1.00 0.00 C ATOM 1450 C TYR B 412 -11.757 -2.307 7.415 1.00 0.00 C ATOM 1451 O TYR B 412 -12.214 -3.405 7.132 1.00 0.00 O ATOM 1452 CB TYR B 412 -9.476 -2.326 6.314 1.00 0.00 C ATOM 1453 CG TYR B 412 -8.020 -2.015 6.539 1.00 0.00 C ATOM 1454 CD1 TYR B 412 -7.616 -1.408 7.711 1.00 0.00 C ATOM 1455 CD2 TYR B 412 -7.058 -2.373 5.626 1.00 0.00 C ATOM 1456 CE1 TYR B 412 -6.276 -1.176 7.965 1.00 0.00 C ATOM 1457 CE2 TYR B 412 -5.728 -2.131 5.862 1.00 0.00 C ATOM 1458 CZ TYR B 412 -5.343 -1.539 7.033 1.00 0.00 C ATOM 1459 OH TYR B 412 -4.016 -1.335 7.289 1.00 0.00 O ATOM 0 H TYR B 412 -9.427 -3.852 8.302 1.00 0.00 H new ATOM 0 HA TYR B 412 -10.126 -1.059 7.844 1.00 0.00 H new ATOM 0 HB2 TYR B 412 -9.583 -3.360 5.985 1.00 0.00 H new ATOM 0 HB3 TYR B 412 -9.866 -1.695 5.515 1.00 0.00 H new ATOM 0 HD1 TYR B 412 -8.356 -1.110 8.439 1.00 0.00 H new ATOM 0 HD2 TYR B 412 -7.354 -2.854 4.705 1.00 0.00 H new ATOM 0 HE1 TYR B 412 -5.969 -0.712 8.891 1.00 0.00 H new ATOM 0 HE2 TYR B 412 -4.988 -2.407 5.125 1.00 0.00 H new ATOM 0 HH TYR B 412 -3.920 -0.720 8.046 1.00 0.00 H new ATOM 1469 N ARG B 413 -12.497 -1.259 7.728 1.00 0.00 N ATOM 1470 CA ARG B 413 -13.935 -1.313 7.626 1.00 0.00 C ATOM 1471 C ARG B 413 -14.303 -1.342 6.178 1.00 0.00 C ATOM 1472 O ARG B 413 -15.269 -1.985 5.784 1.00 0.00 O ATOM 1473 CB ARG B 413 -14.599 -0.141 8.310 1.00 0.00 C ATOM 1474 CG ARG B 413 -14.004 0.135 9.651 1.00 0.00 C ATOM 1475 CD ARG B 413 -14.110 -1.056 10.556 1.00 0.00 C ATOM 1476 NE ARG B 413 -15.484 -1.380 10.937 1.00 0.00 N ATOM 1477 CZ ARG B 413 -15.840 -2.536 11.498 1.00 0.00 C ATOM 1478 NH1 ARG B 413 -14.936 -3.494 11.676 1.00 0.00 N ATOM 1479 NH2 ARG B 413 -17.096 -2.736 11.874 1.00 0.00 N ATOM 0 H ARG B 413 -12.124 -0.367 8.053 1.00 0.00 H new ATOM 0 HA ARG B 413 -14.287 -2.212 8.131 1.00 0.00 H new ATOM 0 HB2 ARG B 413 -14.505 0.745 7.683 1.00 0.00 H new ATOM 0 HB3 ARG B 413 -15.665 -0.342 8.421 1.00 0.00 H new ATOM 0 HG2 ARG B 413 -12.956 0.413 9.535 1.00 0.00 H new ATOM 0 HG3 ARG B 413 -14.511 0.986 10.107 1.00 0.00 H new ATOM 0 HD2 ARG B 413 -13.666 -1.919 10.060 1.00 0.00 H new ATOM 0 HD3 ARG B 413 -13.526 -0.870 11.457 1.00 0.00 H new ATOM 0 HE ARG B 413 -16.209 -0.684 10.764 1.00 0.00 H new ATOM 0 HH11 ARG B 413 -13.970 -3.345 11.383 1.00 0.00 H new ATOM 0 HH12 ARG B 413 -15.208 -4.378 12.105 1.00 0.00 H new ATOM 0 HH21 ARG B 413 -17.793 -2.004 11.734 1.00 0.00 H new ATOM 0 HH22 ARG B 413 -17.365 -3.621 12.303 1.00 0.00 H new ATOM 1493 N ASP B 414 -13.469 -0.672 5.396 1.00 0.00 N ATOM 1494 CA ASP B 414 -13.624 -0.592 3.958 1.00 0.00 C ATOM 1495 C ASP B 414 -12.276 -0.456 3.318 1.00 0.00 C ATOM 1496 O ASP B 414 -11.241 -0.365 3.985 1.00 0.00 O ATOM 1497 CB ASP B 414 -14.508 0.590 3.555 1.00 0.00 C ATOM 1498 CG ASP B 414 -13.744 1.881 3.350 1.00 0.00 C ATOM 1499 OD1 ASP B 414 -13.281 2.481 4.341 1.00 0.00 O ATOM 1500 OD2 ASP B 414 -13.616 2.305 2.186 1.00 0.00 O ATOM 0 H ASP B 414 -12.658 -0.164 5.750 1.00 0.00 H new ATOM 0 HA ASP B 414 -14.109 -1.506 3.616 1.00 0.00 H new ATOM 0 HB2 ASP B 414 -15.035 0.340 2.634 1.00 0.00 H new ATOM 0 HB3 ASP B 414 -15.265 0.745 4.324 1.00 0.00 H new ATOM 1505 N ALA B 415 -12.314 -0.423 2.016 1.00 0.00 N ATOM 1506 CA ALA B 415 -11.138 -0.483 1.207 1.00 0.00 C ATOM 1507 C ALA B 415 -10.337 0.801 1.302 1.00 0.00 C ATOM 1508 O ALA B 415 -9.183 0.846 0.913 1.00 0.00 O ATOM 1509 CB ALA B 415 -11.550 -0.724 -0.215 1.00 0.00 C ATOM 0 H ALA B 415 -13.180 -0.352 1.481 1.00 0.00 H new ATOM 0 HA ALA B 415 -10.503 -1.295 1.563 1.00 0.00 H new ATOM 0 HB1 ALA B 415 -10.664 -0.773 -0.847 1.00 0.00 H new ATOM 0 HB2 ALA B 415 -12.095 -1.666 -0.281 1.00 0.00 H new ATOM 0 HB3 ALA B 415 -12.191 0.091 -0.551 1.00 0.00 H new ATOM 1515 N GLN B 416 -10.944 1.853 1.798 1.00 0.00 N ATOM 1516 CA GLN B 416 -10.238 3.105 1.906 1.00 0.00 C ATOM 1517 C GLN B 416 -9.396 3.165 3.175 1.00 0.00 C ATOM 1518 O GLN B 416 -8.493 3.990 3.267 1.00 0.00 O ATOM 1519 CB GLN B 416 -11.195 4.279 1.797 1.00 0.00 C ATOM 1520 CG GLN B 416 -11.529 4.607 0.364 1.00 0.00 C ATOM 1521 CD GLN B 416 -12.793 5.423 0.217 1.00 0.00 C ATOM 1522 OE1 GLN B 416 -12.759 6.655 0.223 1.00 0.00 O ATOM 1523 NE2 GLN B 416 -13.916 4.742 0.088 1.00 0.00 N ATOM 0 H GLN B 416 -11.909 1.868 2.128 1.00 0.00 H new ATOM 0 HA GLN B 416 -9.544 3.174 1.068 1.00 0.00 H new ATOM 0 HB2 GLN B 416 -12.112 4.050 2.339 1.00 0.00 H new ATOM 0 HB3 GLN B 416 -10.752 5.153 2.275 1.00 0.00 H new ATOM 0 HG2 GLN B 416 -10.697 5.155 -0.080 1.00 0.00 H new ATOM 0 HG3 GLN B 416 -11.636 3.679 -0.198 1.00 0.00 H new ATOM 0 HE21 GLN B 416 -13.897 3.722 0.088 1.00 0.00 H new ATOM 0 HE22 GLN B 416 -14.803 5.235 -0.012 1.00 0.00 H new ATOM 1532 N GLU B 417 -9.681 2.304 4.160 1.00 0.00 N ATOM 1533 CA GLU B 417 -8.679 2.027 5.195 1.00 0.00 C ATOM 1534 C GLU B 417 -7.559 1.281 4.514 1.00 0.00 C ATOM 1535 O GLU B 417 -6.378 1.503 4.764 1.00 0.00 O ATOM 1536 CB GLU B 417 -9.170 1.131 6.329 1.00 0.00 C ATOM 1537 CG GLU B 417 -10.474 1.540 6.971 1.00 0.00 C ATOM 1538 CD GLU B 417 -10.417 2.914 7.606 1.00 0.00 C ATOM 1539 OE1 GLU B 417 -9.563 3.129 8.489 1.00 0.00 O ATOM 1540 OE2 GLU B 417 -11.217 3.790 7.226 1.00 0.00 O ATOM 0 H GLU B 417 -10.564 1.803 4.262 1.00 0.00 H new ATOM 0 HA GLU B 417 -8.398 2.982 5.638 1.00 0.00 H new ATOM 0 HB2 GLU B 417 -9.278 0.117 5.945 1.00 0.00 H new ATOM 0 HB3 GLU B 417 -8.401 1.099 7.101 1.00 0.00 H new ATOM 0 HG2 GLU B 417 -11.263 1.526 6.219 1.00 0.00 H new ATOM 0 HG3 GLU B 417 -10.745 0.806 7.730 1.00 0.00 H new ATOM 1547 N PHE B 418 -7.981 0.381 3.632 1.00 0.00 N ATOM 1548 CA PHE B 418 -7.079 -0.458 2.893 1.00 0.00 C ATOM 1549 C PHE B 418 -6.046 0.355 2.130 1.00 0.00 C ATOM 1550 O PHE B 418 -4.850 0.285 2.406 1.00 0.00 O ATOM 1551 CB PHE B 418 -7.863 -1.358 1.944 1.00 0.00 C ATOM 1552 CG PHE B 418 -6.997 -1.975 0.907 1.00 0.00 C ATOM 1553 CD1 PHE B 418 -6.201 -3.028 1.244 1.00 0.00 C ATOM 1554 CD2 PHE B 418 -6.970 -1.494 -0.390 1.00 0.00 C ATOM 1555 CE1 PHE B 418 -5.387 -3.607 0.332 1.00 0.00 C ATOM 1556 CE2 PHE B 418 -6.148 -2.072 -1.330 1.00 0.00 C ATOM 1557 CZ PHE B 418 -5.350 -3.133 -0.967 1.00 0.00 C ATOM 0 H PHE B 418 -8.965 0.222 3.417 1.00 0.00 H new ATOM 0 HA PHE B 418 -6.537 -1.078 3.608 1.00 0.00 H new ATOM 0 HB2 PHE B 418 -8.356 -2.144 2.516 1.00 0.00 H new ATOM 0 HB3 PHE B 418 -8.647 -0.776 1.460 1.00 0.00 H new ATOM 0 HD1 PHE B 418 -6.220 -3.406 2.255 1.00 0.00 H new ATOM 0 HD2 PHE B 418 -7.598 -0.660 -0.666 1.00 0.00 H new ATOM 0 HE1 PHE B 418 -4.764 -4.442 0.619 1.00 0.00 H new ATOM 0 HE2 PHE B 418 -6.129 -1.697 -2.343 1.00 0.00 H new ATOM 0 HZ PHE B 418 -4.697 -3.594 -1.694 1.00 0.00 H new ATOM 1567 N GLY B 419 -6.519 1.138 1.185 1.00 0.00 N ATOM 1568 CA GLY B 419 -5.625 1.903 0.352 1.00 0.00 C ATOM 1569 C GLY B 419 -4.988 3.040 1.090 1.00 0.00 C ATOM 1570 O GLY B 419 -4.020 3.631 0.616 1.00 0.00 O ATOM 0 H GLY B 419 -7.510 1.260 0.977 1.00 0.00 H new ATOM 0 HA2 GLY B 419 -4.848 1.247 -0.040 1.00 0.00 H new ATOM 0 HA3 GLY B 419 -6.175 2.292 -0.505 1.00 0.00 H new ATOM 1574 N ALA B 420 -5.519 3.334 2.260 1.00 0.00 N ATOM 1575 CA ALA B 420 -4.909 4.296 3.137 1.00 0.00 C ATOM 1576 C ALA B 420 -3.516 3.816 3.509 1.00 0.00 C ATOM 1577 O ALA B 420 -2.562 4.592 3.584 1.00 0.00 O ATOM 1578 CB ALA B 420 -5.772 4.483 4.376 1.00 0.00 C ATOM 0 H ALA B 420 -6.376 2.915 2.621 1.00 0.00 H new ATOM 0 HA ALA B 420 -4.825 5.260 2.635 1.00 0.00 H new ATOM 0 HB1 ALA B 420 -5.306 5.213 5.038 1.00 0.00 H new ATOM 0 HB2 ALA B 420 -6.759 4.839 4.081 1.00 0.00 H new ATOM 0 HB3 ALA B 420 -5.870 3.531 4.898 1.00 0.00 H new ATOM 1584 N ASP B 421 -3.414 2.516 3.710 1.00 0.00 N ATOM 1585 CA ASP B 421 -2.160 1.876 4.033 1.00 0.00 C ATOM 1586 C ASP B 421 -1.354 1.551 2.775 1.00 0.00 C ATOM 1587 O ASP B 421 -0.137 1.678 2.785 1.00 0.00 O ATOM 1588 CB ASP B 421 -2.447 0.648 4.871 1.00 0.00 C ATOM 1589 CG ASP B 421 -2.862 1.048 6.273 1.00 0.00 C ATOM 1590 OD1 ASP B 421 -4.009 1.495 6.448 1.00 0.00 O ATOM 1591 OD2 ASP B 421 -2.052 0.926 7.206 1.00 0.00 O ATOM 0 H ASP B 421 -4.205 1.874 3.653 1.00 0.00 H new ATOM 0 HA ASP B 421 -1.537 2.558 4.612 1.00 0.00 H new ATOM 0 HB2 ASP B 421 -3.237 0.059 4.405 1.00 0.00 H new ATOM 0 HB3 ASP B 421 -1.561 0.015 4.914 1.00 0.00 H new ATOM 1596 N VAL B 422 -1.998 1.151 1.676 1.00 0.00 N ATOM 1597 CA VAL B 422 -1.282 1.044 0.419 1.00 0.00 C ATOM 1598 C VAL B 422 -0.541 2.340 0.121 1.00 0.00 C ATOM 1599 O VAL B 422 0.658 2.340 -0.128 1.00 0.00 O ATOM 1600 CB VAL B 422 -2.197 0.740 -0.769 1.00 0.00 C ATOM 1601 CG1 VAL B 422 -1.346 0.400 -1.943 1.00 0.00 C ATOM 1602 CG2 VAL B 422 -3.105 -0.422 -0.496 1.00 0.00 C ATOM 0 H VAL B 422 -2.987 0.904 1.637 1.00 0.00 H new ATOM 0 HA VAL B 422 -0.589 0.212 0.540 1.00 0.00 H new ATOM 0 HB VAL B 422 -2.814 1.619 -0.955 1.00 0.00 H new ATOM 0 HG11 VAL B 422 -1.981 0.180 -2.801 1.00 0.00 H new ATOM 0 HG12 VAL B 422 -0.697 1.244 -2.179 1.00 0.00 H new ATOM 0 HG13 VAL B 422 -0.736 -0.473 -1.710 1.00 0.00 H new ATOM 0 HG21 VAL B 422 -3.737 -0.602 -1.366 1.00 0.00 H new ATOM 0 HG22 VAL B 422 -2.508 -1.310 -0.291 1.00 0.00 H new ATOM 0 HG23 VAL B 422 -3.732 -0.199 0.367 1.00 0.00 H new ATOM 1612 N ARG B 423 -1.257 3.453 0.171 1.00 0.00 N ATOM 1613 CA ARG B 423 -0.635 4.750 -0.036 1.00 0.00 C ATOM 1614 C ARG B 423 0.354 5.059 1.088 1.00 0.00 C ATOM 1615 O ARG B 423 1.268 5.838 0.901 1.00 0.00 O ATOM 1616 CB ARG B 423 -1.677 5.869 -0.144 1.00 0.00 C ATOM 1617 CG ARG B 423 -2.641 5.723 -1.318 1.00 0.00 C ATOM 1618 CD ARG B 423 -1.922 5.555 -2.654 1.00 0.00 C ATOM 1619 NE ARG B 423 -0.974 6.635 -2.929 1.00 0.00 N ATOM 1620 CZ ARG B 423 -0.760 7.159 -4.141 1.00 0.00 C ATOM 1621 NH1 ARG B 423 -1.501 6.790 -5.186 1.00 0.00 N ATOM 1622 NH2 ARG B 423 0.181 8.078 -4.299 1.00 0.00 N ATOM 0 H ARG B 423 -2.260 3.484 0.352 1.00 0.00 H new ATOM 0 HA ARG B 423 -0.095 4.704 -0.982 1.00 0.00 H new ATOM 0 HB2 ARG B 423 -2.253 5.903 0.781 1.00 0.00 H new ATOM 0 HB3 ARG B 423 -1.159 6.824 -0.232 1.00 0.00 H new ATOM 0 HG2 ARG B 423 -3.287 4.862 -1.147 1.00 0.00 H new ATOM 0 HG3 ARG B 423 -3.285 6.601 -1.365 1.00 0.00 H new ATOM 0 HD2 ARG B 423 -1.392 4.603 -2.658 1.00 0.00 H new ATOM 0 HD3 ARG B 423 -2.660 5.513 -3.455 1.00 0.00 H new ATOM 0 HE ARG B 423 -0.442 7.013 -2.145 1.00 0.00 H new ATOM 0 HH11 ARG B 423 -2.242 6.100 -5.067 1.00 0.00 H new ATOM 0 HH12 ARG B 423 -1.327 7.198 -6.104 1.00 0.00 H new ATOM 0 HH21 ARG B 423 0.737 8.382 -3.499 1.00 0.00 H new ATOM 0 HH22 ARG B 423 0.350 8.482 -5.220 1.00 0.00 H new ATOM 1636 N LEU B 424 0.172 4.431 2.248 1.00 0.00 N ATOM 1637 CA LEU B 424 1.099 4.585 3.370 1.00 0.00 C ATOM 1638 C LEU B 424 2.444 3.920 3.033 1.00 0.00 C ATOM 1639 O LEU B 424 3.506 4.477 3.316 1.00 0.00 O ATOM 1640 CB LEU B 424 0.482 3.960 4.636 1.00 0.00 C ATOM 1641 CG LEU B 424 0.761 4.629 5.991 1.00 0.00 C ATOM 1642 CD1 LEU B 424 1.375 3.665 6.948 1.00 0.00 C ATOM 1643 CD2 LEU B 424 1.654 5.835 5.871 1.00 0.00 C ATOM 0 H LEU B 424 -0.613 3.807 2.437 1.00 0.00 H new ATOM 0 HA LEU B 424 1.278 5.644 3.554 1.00 0.00 H new ATOM 0 HB2 LEU B 424 -0.599 3.928 4.498 1.00 0.00 H new ATOM 0 HB3 LEU B 424 0.826 2.928 4.698 1.00 0.00 H new ATOM 0 HG LEU B 424 -0.207 4.959 6.367 1.00 0.00 H new ATOM 0 HD11 LEU B 424 1.562 4.165 7.898 1.00 0.00 H new ATOM 0 HD12 LEU B 424 0.696 2.827 7.106 1.00 0.00 H new ATOM 0 HD13 LEU B 424 2.317 3.297 6.540 1.00 0.00 H new ATOM 0 HD21 LEU B 424 1.817 6.267 6.858 1.00 0.00 H new ATOM 0 HD22 LEU B 424 2.611 5.538 5.443 1.00 0.00 H new ATOM 0 HD23 LEU B 424 1.181 6.575 5.225 1.00 0.00 H new ATOM 1655 N MET B 425 2.395 2.729 2.421 1.00 0.00 N ATOM 1656 CA MET B 425 3.620 2.023 2.015 1.00 0.00 C ATOM 1657 C MET B 425 4.217 2.660 0.791 1.00 0.00 C ATOM 1658 O MET B 425 5.432 2.709 0.629 1.00 0.00 O ATOM 1659 CB MET B 425 3.398 0.516 1.778 1.00 0.00 C ATOM 1660 CG MET B 425 2.431 0.175 0.699 1.00 0.00 C ATOM 1661 SD MET B 425 1.392 -1.210 1.143 1.00 0.00 S ATOM 1662 CE MET B 425 0.829 -1.589 -0.488 1.00 0.00 C ATOM 0 H MET B 425 1.530 2.237 2.197 1.00 0.00 H new ATOM 0 HA MET B 425 4.318 2.112 2.848 1.00 0.00 H new ATOM 0 HB2 MET B 425 4.358 0.058 1.540 1.00 0.00 H new ATOM 0 HB3 MET B 425 3.052 0.066 2.709 1.00 0.00 H new ATOM 0 HG2 MET B 425 1.807 1.042 0.485 1.00 0.00 H new ATOM 0 HG3 MET B 425 2.976 -0.059 -0.215 1.00 0.00 H new ATOM 0 HE1 MET B 425 -0.096 -2.162 -0.430 1.00 0.00 H new ATOM 0 HE2 MET B 425 0.649 -0.664 -1.035 1.00 0.00 H new ATOM 0 HE3 MET B 425 1.587 -2.176 -1.007 1.00 0.00 H new ATOM 1672 N PHE B 426 3.360 3.155 -0.057 1.00 0.00 N ATOM 1673 CA PHE B 426 3.802 3.880 -1.219 1.00 0.00 C ATOM 1674 C PHE B 426 4.428 5.223 -0.814 1.00 0.00 C ATOM 1675 O PHE B 426 5.501 5.585 -1.293 1.00 0.00 O ATOM 1676 CB PHE B 426 2.624 4.103 -2.152 1.00 0.00 C ATOM 1677 CG PHE B 426 2.075 2.857 -2.811 1.00 0.00 C ATOM 1678 CD1 PHE B 426 2.594 1.594 -2.538 1.00 0.00 C ATOM 1679 CD2 PHE B 426 1.017 2.953 -3.699 1.00 0.00 C ATOM 1680 CE1 PHE B 426 2.064 0.465 -3.135 1.00 0.00 C ATOM 1681 CE2 PHE B 426 0.492 1.826 -4.299 1.00 0.00 C ATOM 1682 CZ PHE B 426 1.019 0.583 -4.011 1.00 0.00 C ATOM 0 H PHE B 426 2.348 3.070 0.033 1.00 0.00 H new ATOM 0 HA PHE B 426 4.564 3.296 -1.735 1.00 0.00 H new ATOM 0 HB2 PHE B 426 1.821 4.580 -1.589 1.00 0.00 H new ATOM 0 HB3 PHE B 426 2.926 4.803 -2.931 1.00 0.00 H new ATOM 0 HD1 PHE B 426 3.421 1.495 -1.851 1.00 0.00 H new ATOM 0 HD2 PHE B 426 0.597 3.922 -3.925 1.00 0.00 H new ATOM 0 HE1 PHE B 426 2.474 -0.509 -2.910 1.00 0.00 H new ATOM 0 HE2 PHE B 426 -0.330 1.917 -4.993 1.00 0.00 H new ATOM 0 HZ PHE B 426 0.606 -0.299 -4.478 1.00 0.00 H new ATOM 1692 N SER B 427 3.757 5.946 0.082 1.00 0.00 N ATOM 1693 CA SER B 427 4.215 7.262 0.526 1.00 0.00 C ATOM 1694 C SER B 427 5.565 7.175 1.227 1.00 0.00 C ATOM 1695 O SER B 427 6.501 7.877 0.849 1.00 0.00 O ATOM 1696 CB SER B 427 3.186 7.909 1.459 1.00 0.00 C ATOM 1697 OG SER B 427 3.582 9.212 1.854 1.00 0.00 O ATOM 0 H SER B 427 2.887 5.639 0.518 1.00 0.00 H new ATOM 0 HA SER B 427 4.330 7.883 -0.363 1.00 0.00 H new ATOM 0 HB2 SER B 427 2.220 7.959 0.957 1.00 0.00 H new ATOM 0 HB3 SER B 427 3.054 7.285 2.343 1.00 0.00 H new ATOM 0 HG SER B 427 2.902 9.595 2.447 1.00 0.00 H new ATOM 1703 N ASN B 428 5.674 6.312 2.244 1.00 0.00 N ATOM 1704 CA ASN B 428 6.940 6.153 2.960 1.00 0.00 C ATOM 1705 C ASN B 428 8.024 5.733 1.986 1.00 0.00 C ATOM 1706 O ASN B 428 9.184 6.108 2.143 1.00 0.00 O ATOM 1707 CB ASN B 428 6.828 5.162 4.136 1.00 0.00 C ATOM 1708 CG ASN B 428 6.980 3.704 3.749 1.00 0.00 C ATOM 1709 OD1 ASN B 428 8.081 3.170 3.712 1.00 0.00 O ATOM 1710 ND2 ASN B 428 5.877 3.039 3.503 1.00 0.00 N ATOM 0 H ASN B 428 4.913 5.723 2.584 1.00 0.00 H new ATOM 0 HA ASN B 428 7.205 7.115 3.398 1.00 0.00 H new ATOM 0 HB2 ASN B 428 7.589 5.409 4.876 1.00 0.00 H new ATOM 0 HB3 ASN B 428 5.859 5.298 4.617 1.00 0.00 H new ATOM 0 HD21 ASN B 428 5.921 2.046 3.272 1.00 0.00 H new ATOM 0 HD22 ASN B 428 4.975 3.514 3.542 1.00 0.00 H new ATOM 1717 N CYS B 429 7.629 5.013 0.945 1.00 0.00 N ATOM 1718 CA CYS B 429 8.568 4.616 -0.073 1.00 0.00 C ATOM 1719 C CYS B 429 9.125 5.840 -0.803 1.00 0.00 C ATOM 1720 O CYS B 429 10.304 6.137 -0.679 1.00 0.00 O ATOM 1721 CB CYS B 429 7.944 3.628 -1.061 1.00 0.00 C ATOM 1722 SG CYS B 429 9.007 3.231 -2.466 1.00 0.00 S ATOM 0 H CYS B 429 6.671 4.698 0.791 1.00 0.00 H new ATOM 0 HA CYS B 429 9.394 4.105 0.421 1.00 0.00 H new ATOM 0 HB2 CYS B 429 7.697 2.707 -0.532 1.00 0.00 H new ATOM 0 HB3 CYS B 429 7.007 4.043 -1.432 1.00 0.00 H new ATOM 0 HG CYS B 429 8.763 4.055 -3.441 1.00 0.00 H new ATOM 1728 N TYR B 430 8.296 6.588 -1.532 1.00 0.00 N ATOM 1729 CA TYR B 430 8.833 7.707 -2.314 1.00 0.00 C ATOM 1730 C TYR B 430 9.334 8.823 -1.397 1.00 0.00 C ATOM 1731 O TYR B 430 10.082 9.699 -1.825 1.00 0.00 O ATOM 1732 CB TYR B 430 7.831 8.300 -3.306 1.00 0.00 C ATOM 1733 CG TYR B 430 6.698 7.397 -3.734 1.00 0.00 C ATOM 1734 CD1 TYR B 430 6.925 6.174 -4.363 1.00 0.00 C ATOM 1735 CD2 TYR B 430 5.384 7.802 -3.536 1.00 0.00 C ATOM 1736 CE1 TYR B 430 5.857 5.388 -4.775 1.00 0.00 C ATOM 1737 CE2 TYR B 430 4.326 7.019 -3.941 1.00 0.00 C ATOM 1738 CZ TYR B 430 4.570 5.816 -4.559 1.00 0.00 C ATOM 1739 OH TYR B 430 3.520 5.040 -4.974 1.00 0.00 O ATOM 0 H TYR B 430 7.288 6.450 -1.599 1.00 0.00 H new ATOM 0 HA TYR B 430 9.657 7.285 -2.890 1.00 0.00 H new ATOM 0 HB2 TYR B 430 7.403 9.199 -2.863 1.00 0.00 H new ATOM 0 HB3 TYR B 430 8.376 8.611 -4.197 1.00 0.00 H new ATOM 0 HD1 TYR B 430 7.937 5.836 -4.531 1.00 0.00 H new ATOM 0 HD2 TYR B 430 5.188 8.749 -3.055 1.00 0.00 H new ATOM 0 HE1 TYR B 430 6.038 4.442 -5.264 1.00 0.00 H new ATOM 0 HE2 TYR B 430 3.311 7.348 -3.774 1.00 0.00 H new ATOM 0 HH TYR B 430 3.781 4.096 -4.947 1.00 0.00 H new ATOM 1749 N LYS B 431 8.890 8.812 -0.148 1.00 0.00 N ATOM 1750 CA LYS B 431 9.452 9.696 0.863 1.00 0.00 C ATOM 1751 C LYS B 431 10.937 9.424 0.994 1.00 0.00 C ATOM 1752 O LYS B 431 11.774 10.315 0.840 1.00 0.00 O ATOM 1753 CB LYS B 431 8.798 9.445 2.216 1.00 0.00 C ATOM 1754 CG LYS B 431 9.385 10.285 3.340 1.00 0.00 C ATOM 1755 CD LYS B 431 8.626 10.083 4.637 1.00 0.00 C ATOM 1756 CE LYS B 431 8.495 8.609 4.990 1.00 0.00 C ATOM 1757 NZ LYS B 431 7.090 8.261 5.306 1.00 0.00 N ATOM 0 H LYS B 431 8.145 8.203 0.189 1.00 0.00 H new ATOM 0 HA LYS B 431 9.273 10.728 0.559 1.00 0.00 H new ATOM 0 HB2 LYS B 431 7.731 9.652 2.138 1.00 0.00 H new ATOM 0 HB3 LYS B 431 8.901 8.390 2.470 1.00 0.00 H new ATOM 0 HG2 LYS B 431 10.432 10.021 3.485 1.00 0.00 H new ATOM 0 HG3 LYS B 431 9.358 11.338 3.061 1.00 0.00 H new ATOM 0 HD2 LYS B 431 9.139 10.606 5.444 1.00 0.00 H new ATOM 0 HD3 LYS B 431 7.634 10.526 4.551 1.00 0.00 H new ATOM 0 HE2 LYS B 431 8.846 7.999 4.157 1.00 0.00 H new ATOM 0 HE3 LYS B 431 9.131 8.378 5.844 1.00 0.00 H new ATOM 0 HZ1 LYS B 431 7.051 7.301 5.705 1.00 0.00 H new ATOM 0 HZ2 LYS B 431 6.712 8.939 5.998 1.00 0.00 H new ATOM 0 HZ3 LYS B 431 6.519 8.298 4.437 1.00 0.00 H new ATOM 1771 N TYR B 432 11.235 8.167 1.275 1.00 0.00 N ATOM 1772 CA TYR B 432 12.595 7.706 1.431 1.00 0.00 C ATOM 1773 C TYR B 432 13.321 7.788 0.091 1.00 0.00 C ATOM 1774 O TYR B 432 14.385 8.383 -0.026 1.00 0.00 O ATOM 1775 CB TYR B 432 12.584 6.254 1.949 1.00 0.00 C ATOM 1776 CG TYR B 432 13.900 5.823 2.543 1.00 0.00 C ATOM 1777 CD1 TYR B 432 15.092 6.140 1.931 1.00 0.00 C ATOM 1778 CD2 TYR B 432 13.954 5.094 3.711 1.00 0.00 C ATOM 1779 CE1 TYR B 432 16.296 5.756 2.467 1.00 0.00 C ATOM 1780 CE2 TYR B 432 15.154 4.706 4.243 1.00 0.00 C ATOM 1781 CZ TYR B 432 16.325 5.039 3.621 1.00 0.00 C ATOM 1782 OH TYR B 432 17.532 4.680 4.174 1.00 0.00 O ATOM 0 H TYR B 432 10.533 7.437 1.401 1.00 0.00 H new ATOM 0 HA TYR B 432 13.118 8.336 2.150 1.00 0.00 H new ATOM 0 HB2 TYR B 432 11.802 6.150 2.701 1.00 0.00 H new ATOM 0 HB3 TYR B 432 12.327 5.585 1.128 1.00 0.00 H new ATOM 0 HD1 TYR B 432 15.079 6.703 1.009 1.00 0.00 H new ATOM 0 HD2 TYR B 432 13.037 4.825 4.214 1.00 0.00 H new ATOM 0 HE1 TYR B 432 17.218 6.023 1.973 1.00 0.00 H new ATOM 0 HE2 TYR B 432 15.176 4.134 5.159 1.00 0.00 H new ATOM 0 HH TYR B 432 17.906 5.441 4.665 1.00 0.00 H new ATOM 1792 N ASN B 433 12.715 7.224 -0.925 1.00 0.00 N ATOM 1793 CA ASN B 433 13.390 7.010 -2.191 1.00 0.00 C ATOM 1794 C ASN B 433 13.189 8.150 -3.177 1.00 0.00 C ATOM 1795 O ASN B 433 12.128 8.764 -3.241 1.00 0.00 O ATOM 1796 CB ASN B 433 12.864 5.752 -2.856 1.00 0.00 C ATOM 1797 CG ASN B 433 12.951 4.522 -2.003 1.00 0.00 C ATOM 1798 OD1 ASN B 433 13.956 3.835 -2.011 1.00 0.00 O ATOM 1799 ND2 ASN B 433 11.881 4.224 -1.288 1.00 0.00 N ATOM 0 H ASN B 433 11.748 6.901 -0.903 1.00 0.00 H new ATOM 0 HA ASN B 433 14.450 6.934 -1.951 1.00 0.00 H new ATOM 0 HB2 ASN B 433 11.823 5.912 -3.138 1.00 0.00 H new ATOM 0 HB3 ASN B 433 13.421 5.582 -3.777 1.00 0.00 H new ATOM 0 HD21 ASN B 433 11.873 3.385 -0.708 1.00 0.00 H new ATOM 0 HD22 ASN B 433 11.063 4.833 -1.316 1.00 0.00 H new ATOM 1806 N PRO B 434 14.227 8.431 -3.964 1.00 0.00 N ATOM 1807 CA PRO B 434 14.109 9.202 -5.204 1.00 0.00 C ATOM 1808 C PRO B 434 13.413 8.359 -6.271 1.00 0.00 C ATOM 1809 O PRO B 434 13.450 7.133 -6.205 1.00 0.00 O ATOM 1810 CB PRO B 434 15.569 9.433 -5.592 1.00 0.00 C ATOM 1811 CG PRO B 434 16.267 8.252 -5.024 1.00 0.00 C ATOM 1812 CD PRO B 434 15.618 8.036 -3.701 1.00 0.00 C ATOM 0 HA PRO B 434 13.533 10.122 -5.099 1.00 0.00 H new ATOM 0 HB2 PRO B 434 15.693 9.491 -6.673 1.00 0.00 H new ATOM 0 HB3 PRO B 434 15.953 10.365 -5.176 1.00 0.00 H new ATOM 0 HG2 PRO B 434 16.157 7.379 -5.667 1.00 0.00 H new ATOM 0 HG3 PRO B 434 17.336 8.436 -4.916 1.00 0.00 H new ATOM 0 HD2 PRO B 434 15.691 6.998 -3.377 1.00 0.00 H new ATOM 0 HD3 PRO B 434 16.073 8.646 -2.921 1.00 0.00 H new ATOM 1820 N PRO B 435 12.777 8.980 -7.272 1.00 0.00 N ATOM 1821 CA PRO B 435 12.017 8.247 -8.292 1.00 0.00 C ATOM 1822 C PRO B 435 12.897 7.533 -9.316 1.00 0.00 C ATOM 1823 O PRO B 435 12.390 6.898 -10.238 1.00 0.00 O ATOM 1824 CB PRO B 435 11.196 9.342 -8.965 1.00 0.00 C ATOM 1825 CG PRO B 435 12.011 10.580 -8.801 1.00 0.00 C ATOM 1826 CD PRO B 435 12.727 10.439 -7.484 1.00 0.00 C ATOM 0 HA PRO B 435 11.425 7.447 -7.847 1.00 0.00 H new ATOM 0 HB2 PRO B 435 11.024 9.118 -10.018 1.00 0.00 H new ATOM 0 HB3 PRO B 435 10.217 9.447 -8.497 1.00 0.00 H new ATOM 0 HG2 PRO B 435 12.721 10.690 -9.621 1.00 0.00 H new ATOM 0 HG3 PRO B 435 11.377 11.467 -8.807 1.00 0.00 H new ATOM 0 HD2 PRO B 435 13.726 10.873 -7.522 1.00 0.00 H new ATOM 0 HD3 PRO B 435 12.191 10.943 -6.680 1.00 0.00 H new ATOM 1834 N ASP B 436 14.205 7.635 -9.150 1.00 0.00 N ATOM 1835 CA ASP B 436 15.138 6.901 -9.978 1.00 0.00 C ATOM 1836 C ASP B 436 15.522 5.598 -9.289 1.00 0.00 C ATOM 1837 O ASP B 436 16.420 4.883 -9.729 1.00 0.00 O ATOM 1838 CB ASP B 436 16.384 7.749 -10.228 1.00 0.00 C ATOM 1839 CG ASP B 436 17.166 8.047 -8.962 1.00 0.00 C ATOM 1840 OD1 ASP B 436 18.040 7.234 -8.586 1.00 0.00 O ATOM 1841 OD2 ASP B 436 16.917 9.100 -8.338 1.00 0.00 O ATOM 0 H ASP B 436 14.644 8.225 -8.443 1.00 0.00 H new ATOM 0 HA ASP B 436 14.668 6.671 -10.934 1.00 0.00 H new ATOM 0 HB2 ASP B 436 17.032 7.231 -10.935 1.00 0.00 H new ATOM 0 HB3 ASP B 436 16.089 8.689 -10.695 1.00 0.00 H new ATOM 1846 N HIS B 437 14.814 5.292 -8.209 1.00 0.00 N ATOM 1847 CA HIS B 437 15.169 4.185 -7.337 1.00 0.00 C ATOM 1848 C HIS B 437 14.523 2.874 -7.766 1.00 0.00 C ATOM 1849 O HIS B 437 13.524 2.855 -8.477 1.00 0.00 O ATOM 1850 CB HIS B 437 14.741 4.496 -5.912 1.00 0.00 C ATOM 1851 CG HIS B 437 15.481 3.727 -4.877 1.00 0.00 C ATOM 1852 ND1 HIS B 437 15.561 2.363 -4.845 1.00 0.00 N ATOM 1853 CD2 HIS B 437 16.168 4.154 -3.827 1.00 0.00 C ATOM 1854 CE1 HIS B 437 16.259 1.990 -3.804 1.00 0.00 C ATOM 1855 NE2 HIS B 437 16.656 3.060 -3.169 1.00 0.00 N ATOM 0 H HIS B 437 13.981 5.803 -7.916 1.00 0.00 H new ATOM 0 HA HIS B 437 16.250 4.065 -7.401 1.00 0.00 H new ATOM 0 HB2 HIS B 437 14.879 5.561 -5.726 1.00 0.00 H new ATOM 0 HB3 HIS B 437 13.675 4.290 -5.810 1.00 0.00 H new ATOM 0 HD2 HIS B 437 16.316 5.185 -3.542 1.00 0.00 H new ATOM 0 HE1 HIS B 437 16.471 0.970 -3.518 1.00 0.00 H new ATOM 0 HE2 HIS B 437 17.231 3.076 -2.327 1.00 0.00 H new ATOM 1864 N GLU B 438 15.122 1.782 -7.328 1.00 0.00 N ATOM 1865 CA GLU B 438 14.524 0.478 -7.396 1.00 0.00 C ATOM 1866 C GLU B 438 13.231 0.387 -6.557 1.00 0.00 C ATOM 1867 O GLU B 438 12.214 -0.065 -7.048 1.00 0.00 O ATOM 1868 CB GLU B 438 15.545 -0.549 -6.933 1.00 0.00 C ATOM 1869 CG GLU B 438 14.926 -1.820 -6.477 1.00 0.00 C ATOM 1870 CD GLU B 438 14.378 -2.637 -7.635 1.00 0.00 C ATOM 1871 OE1 GLU B 438 13.296 -2.315 -8.154 1.00 0.00 O ATOM 1872 OE2 GLU B 438 15.051 -3.598 -8.048 1.00 0.00 O ATOM 0 H GLU B 438 16.052 1.785 -6.910 1.00 0.00 H new ATOM 0 HA GLU B 438 14.235 0.278 -8.428 1.00 0.00 H new ATOM 0 HB2 GLU B 438 16.235 -0.760 -7.750 1.00 0.00 H new ATOM 0 HB3 GLU B 438 16.134 -0.126 -6.119 1.00 0.00 H new ATOM 0 HG2 GLU B 438 15.666 -2.410 -5.936 1.00 0.00 H new ATOM 0 HG3 GLU B 438 14.121 -1.600 -5.776 1.00 0.00 H new ATOM 1879 N VAL B 439 13.251 0.809 -5.289 1.00 0.00 N ATOM 1880 CA VAL B 439 12.052 0.680 -4.457 1.00 0.00 C ATOM 1881 C VAL B 439 10.905 1.413 -5.079 1.00 0.00 C ATOM 1882 O VAL B 439 9.795 0.913 -5.121 1.00 0.00 O ATOM 1883 CB VAL B 439 12.218 1.188 -3.047 1.00 0.00 C ATOM 1884 CG1 VAL B 439 11.208 0.566 -2.102 1.00 0.00 C ATOM 1885 CG2 VAL B 439 13.595 0.989 -2.670 1.00 0.00 C ATOM 0 H VAL B 439 14.057 1.230 -4.828 1.00 0.00 H new ATOM 0 HA VAL B 439 11.862 -0.392 -4.400 1.00 0.00 H new ATOM 0 HB VAL B 439 12.002 2.255 -2.986 1.00 0.00 H new ATOM 0 HG11 VAL B 439 11.361 0.958 -1.097 1.00 0.00 H new ATOM 0 HG12 VAL B 439 10.199 0.809 -2.436 1.00 0.00 H new ATOM 0 HG13 VAL B 439 11.337 -0.516 -2.093 1.00 0.00 H new ATOM 0 HG21 VAL B 439 13.749 1.347 -1.652 1.00 0.00 H new ATOM 0 HG22 VAL B 439 13.837 -0.073 -2.722 1.00 0.00 H new ATOM 0 HG23 VAL B 439 14.242 1.542 -3.351 1.00 0.00 H new ATOM 1895 N VAL B 440 11.189 2.609 -5.564 1.00 0.00 N ATOM 1896 CA VAL B 440 10.158 3.387 -6.226 1.00 0.00 C ATOM 1897 C VAL B 440 9.738 2.751 -7.544 1.00 0.00 C ATOM 1898 O VAL B 440 8.577 2.814 -7.926 1.00 0.00 O ATOM 1899 CB VAL B 440 10.554 4.833 -6.483 1.00 0.00 C ATOM 1900 CG1 VAL B 440 10.857 5.504 -5.190 1.00 0.00 C ATOM 1901 CG2 VAL B 440 11.723 4.904 -7.409 1.00 0.00 C ATOM 0 H VAL B 440 12.105 3.055 -5.514 1.00 0.00 H new ATOM 0 HA VAL B 440 9.320 3.391 -5.529 1.00 0.00 H new ATOM 0 HB VAL B 440 9.722 5.351 -6.961 1.00 0.00 H new ATOM 0 HG11 VAL B 440 11.141 6.540 -5.375 1.00 0.00 H new ATOM 0 HG12 VAL B 440 9.974 5.478 -4.551 1.00 0.00 H new ATOM 0 HG13 VAL B 440 11.678 4.986 -4.695 1.00 0.00 H new ATOM 0 HG21 VAL B 440 11.990 5.947 -7.579 1.00 0.00 H new ATOM 0 HG22 VAL B 440 12.570 4.381 -6.966 1.00 0.00 H new ATOM 0 HG23 VAL B 440 11.464 4.436 -8.359 1.00 0.00 H new ATOM 1911 N ALA B 441 10.713 2.192 -8.246 1.00 0.00 N ATOM 1912 CA ALA B 441 10.461 1.351 -9.409 1.00 0.00 C ATOM 1913 C ALA B 441 9.321 0.402 -9.102 1.00 0.00 C ATOM 1914 O ALA B 441 8.282 0.397 -9.766 1.00 0.00 O ATOM 1915 CB ALA B 441 11.717 0.550 -9.741 1.00 0.00 C ATOM 0 H ALA B 441 11.702 2.308 -8.026 1.00 0.00 H new ATOM 0 HA ALA B 441 10.196 1.976 -10.262 1.00 0.00 H new ATOM 0 HB1 ALA B 441 11.528 -0.079 -10.611 1.00 0.00 H new ATOM 0 HB2 ALA B 441 12.538 1.234 -9.959 1.00 0.00 H new ATOM 0 HB3 ALA B 441 11.984 -0.078 -8.891 1.00 0.00 H new ATOM 1921 N MET B 442 9.531 -0.347 -8.041 1.00 0.00 N ATOM 1922 CA MET B 442 8.580 -1.321 -7.547 1.00 0.00 C ATOM 1923 C MET B 442 7.314 -0.623 -7.082 1.00 0.00 C ATOM 1924 O MET B 442 6.195 -1.000 -7.443 1.00 0.00 O ATOM 1925 CB MET B 442 9.233 -2.046 -6.387 1.00 0.00 C ATOM 1926 CG MET B 442 10.632 -2.476 -6.716 1.00 0.00 C ATOM 1927 SD MET B 442 10.784 -4.254 -6.915 1.00 0.00 S ATOM 1928 CE MET B 442 12.214 -4.512 -5.898 1.00 0.00 C ATOM 0 H MET B 442 10.385 -0.295 -7.486 1.00 0.00 H new ATOM 0 HA MET B 442 8.307 -2.025 -8.333 1.00 0.00 H new ATOM 0 HB2 MET B 442 9.249 -1.394 -5.514 1.00 0.00 H new ATOM 0 HB3 MET B 442 8.637 -2.919 -6.122 1.00 0.00 H new ATOM 0 HG2 MET B 442 10.952 -1.983 -7.634 1.00 0.00 H new ATOM 0 HG3 MET B 442 11.305 -2.145 -5.925 1.00 0.00 H new ATOM 0 HE1 MET B 442 12.949 -5.102 -6.446 1.00 0.00 H new ATOM 0 HE2 MET B 442 12.649 -3.549 -5.630 1.00 0.00 H new ATOM 0 HE3 MET B 442 11.925 -5.044 -4.992 1.00 0.00 H new ATOM 1938 N ALA B 443 7.532 0.405 -6.278 1.00 0.00 N ATOM 1939 CA ALA B 443 6.478 1.243 -5.735 1.00 0.00 C ATOM 1940 C ALA B 443 5.480 1.704 -6.795 1.00 0.00 C ATOM 1941 O ALA B 443 4.277 1.505 -6.648 1.00 0.00 O ATOM 1942 CB ALA B 443 7.109 2.449 -5.067 1.00 0.00 C ATOM 0 H ALA B 443 8.466 0.685 -5.979 1.00 0.00 H new ATOM 0 HA ALA B 443 5.918 0.646 -5.015 1.00 0.00 H new ATOM 0 HB1 ALA B 443 6.327 3.087 -4.655 1.00 0.00 H new ATOM 0 HB2 ALA B 443 7.768 2.117 -4.264 1.00 0.00 H new ATOM 0 HB3 ALA B 443 7.686 3.011 -5.801 1.00 0.00 H new ATOM 1948 N ARG B 444 5.985 2.307 -7.868 1.00 0.00 N ATOM 1949 CA ARG B 444 5.126 2.900 -8.887 1.00 0.00 C ATOM 1950 C ARG B 444 4.377 1.846 -9.690 1.00 0.00 C ATOM 1951 O ARG B 444 3.325 2.127 -10.262 1.00 0.00 O ATOM 1952 CB ARG B 444 5.913 3.814 -9.825 1.00 0.00 C ATOM 1953 CG ARG B 444 5.994 5.252 -9.339 1.00 0.00 C ATOM 1954 CD ARG B 444 7.039 5.440 -8.255 1.00 0.00 C ATOM 1955 NE ARG B 444 7.125 6.837 -7.836 1.00 0.00 N ATOM 1956 CZ ARG B 444 7.860 7.755 -8.460 1.00 0.00 C ATOM 1957 NH1 ARG B 444 8.596 7.419 -9.515 1.00 0.00 N ATOM 1958 NH2 ARG B 444 7.855 9.010 -8.029 1.00 0.00 N ATOM 0 H ARG B 444 6.984 2.397 -8.054 1.00 0.00 H new ATOM 0 HA ARG B 444 4.390 3.502 -8.354 1.00 0.00 H new ATOM 0 HB2 ARG B 444 6.923 3.420 -9.941 1.00 0.00 H new ATOM 0 HB3 ARG B 444 5.449 3.797 -10.811 1.00 0.00 H new ATOM 0 HG2 ARG B 444 6.227 5.904 -10.181 1.00 0.00 H new ATOM 0 HG3 ARG B 444 5.020 5.559 -8.958 1.00 0.00 H new ATOM 0 HD2 ARG B 444 6.792 4.815 -7.397 1.00 0.00 H new ATOM 0 HD3 ARG B 444 8.010 5.108 -8.622 1.00 0.00 H new ATOM 0 HE ARG B 444 6.590 7.126 -7.017 1.00 0.00 H new ATOM 0 HH11 ARG B 444 8.599 6.455 -9.849 1.00 0.00 H new ATOM 0 HH12 ARG B 444 9.158 8.125 -9.991 1.00 0.00 H new ATOM 0 HH21 ARG B 444 7.289 9.270 -7.221 1.00 0.00 H new ATOM 0 HH22 ARG B 444 8.417 9.715 -8.505 1.00 0.00 H new ATOM 1972 N LYS B 445 4.908 0.638 -9.738 1.00 0.00 N ATOM 1973 CA LYS B 445 4.208 -0.459 -10.380 1.00 0.00 C ATOM 1974 C LYS B 445 2.961 -0.812 -9.607 1.00 0.00 C ATOM 1975 O LYS B 445 1.886 -0.992 -10.180 1.00 0.00 O ATOM 1976 CB LYS B 445 5.122 -1.649 -10.465 1.00 0.00 C ATOM 1977 CG LYS B 445 6.300 -1.364 -11.313 1.00 0.00 C ATOM 1978 CD LYS B 445 7.440 -2.279 -11.002 1.00 0.00 C ATOM 1979 CE LYS B 445 7.473 -3.341 -12.033 1.00 0.00 C ATOM 1980 NZ LYS B 445 7.850 -2.819 -13.372 1.00 0.00 N ATOM 0 H LYS B 445 5.816 0.393 -9.343 1.00 0.00 H new ATOM 0 HA LYS B 445 3.912 -0.157 -11.385 1.00 0.00 H new ATOM 0 HB2 LYS B 445 5.451 -1.929 -9.464 1.00 0.00 H new ATOM 0 HB3 LYS B 445 4.576 -2.501 -10.871 1.00 0.00 H new ATOM 0 HG2 LYS B 445 6.026 -1.468 -12.363 1.00 0.00 H new ATOM 0 HG3 LYS B 445 6.613 -0.330 -11.166 1.00 0.00 H new ATOM 0 HD2 LYS B 445 8.380 -1.727 -10.994 1.00 0.00 H new ATOM 0 HD3 LYS B 445 7.318 -2.715 -10.010 1.00 0.00 H new ATOM 0 HE2 LYS B 445 8.183 -4.112 -11.734 1.00 0.00 H new ATOM 0 HE3 LYS B 445 6.494 -3.815 -12.094 1.00 0.00 H new ATOM 0 HZ1 LYS B 445 8.357 -3.556 -13.902 1.00 0.00 H new ATOM 0 HZ2 LYS B 445 6.992 -2.547 -13.893 1.00 0.00 H new ATOM 0 HZ3 LYS B 445 8.465 -1.988 -13.260 1.00 0.00 H new ATOM 1994 N LEU B 446 3.121 -0.914 -8.301 1.00 0.00 N ATOM 1995 CA LEU B 446 2.005 -1.104 -7.405 1.00 0.00 C ATOM 1996 C LEU B 446 1.104 0.099 -7.453 1.00 0.00 C ATOM 1997 O LEU B 446 -0.108 -0.022 -7.451 1.00 0.00 O ATOM 1998 CB LEU B 446 2.505 -1.289 -5.994 1.00 0.00 C ATOM 1999 CG LEU B 446 3.492 -2.403 -5.808 1.00 0.00 C ATOM 2000 CD1 LEU B 446 3.453 -2.833 -4.365 1.00 0.00 C ATOM 2001 CD2 LEU B 446 3.079 -3.543 -6.683 1.00 0.00 C ATOM 0 H LEU B 446 4.028 -0.867 -7.836 1.00 0.00 H new ATOM 0 HA LEU B 446 1.451 -1.990 -7.715 1.00 0.00 H new ATOM 0 HB2 LEU B 446 2.965 -0.358 -5.664 1.00 0.00 H new ATOM 0 HB3 LEU B 446 1.650 -1.470 -5.343 1.00 0.00 H new ATOM 0 HG LEU B 446 4.500 -2.082 -6.069 1.00 0.00 H new ATOM 0 HD11 LEU B 446 4.164 -3.644 -4.208 1.00 0.00 H new ATOM 0 HD12 LEU B 446 3.717 -1.990 -3.727 1.00 0.00 H new ATOM 0 HD13 LEU B 446 2.449 -3.177 -4.115 1.00 0.00 H new ATOM 0 HD21 LEU B 446 3.783 -4.366 -6.564 1.00 0.00 H new ATOM 0 HD22 LEU B 446 2.080 -3.876 -6.400 1.00 0.00 H new ATOM 0 HD23 LEU B 446 3.072 -3.219 -7.724 1.00 0.00 H new ATOM 2013 N GLN B 447 1.728 1.258 -7.483 1.00 0.00 N ATOM 2014 CA GLN B 447 1.020 2.520 -7.615 1.00 0.00 C ATOM 2015 C GLN B 447 0.071 2.457 -8.806 1.00 0.00 C ATOM 2016 O GLN B 447 -1.062 2.922 -8.735 1.00 0.00 O ATOM 2017 CB GLN B 447 2.019 3.660 -7.805 1.00 0.00 C ATOM 2018 CG GLN B 447 1.489 5.023 -7.410 1.00 0.00 C ATOM 2019 CD GLN B 447 2.268 6.153 -8.046 1.00 0.00 C ATOM 2020 OE1 GLN B 447 1.845 6.574 -9.228 1.00 0.00 O flip ATOM 2021 NE2 GLN B 447 3.243 6.644 -7.480 1.00 0.00 N flip ATOM 0 H GLN B 447 2.741 1.355 -7.417 1.00 0.00 H new ATOM 0 HA GLN B 447 0.443 2.702 -6.708 1.00 0.00 H new ATOM 0 HB2 GLN B 447 2.913 3.446 -7.219 1.00 0.00 H new ATOM 0 HB3 GLN B 447 2.324 3.690 -8.851 1.00 0.00 H new ATOM 0 HG2 GLN B 447 0.441 5.100 -7.700 1.00 0.00 H new ATOM 0 HG3 GLN B 447 1.528 5.124 -6.325 1.00 0.00 H new ATOM 0 HE21 GLN B 447 3.536 6.290 -6.569 1.00 0.00 H new ATOM 0 HE22 GLN B 447 3.759 7.405 -7.921 1.00 0.00 H new ATOM 2030 N ASP B 448 0.541 1.864 -9.896 1.00 0.00 N ATOM 2031 CA ASP B 448 -0.270 1.708 -11.094 1.00 0.00 C ATOM 2032 C ASP B 448 -1.364 0.662 -10.895 1.00 0.00 C ATOM 2033 O ASP B 448 -2.537 0.934 -11.144 1.00 0.00 O ATOM 2034 CB ASP B 448 0.597 1.323 -12.293 1.00 0.00 C ATOM 2035 CG ASP B 448 -0.226 1.147 -13.552 1.00 0.00 C ATOM 2036 OD1 ASP B 448 -0.768 2.153 -14.055 1.00 0.00 O ATOM 2037 OD2 ASP B 448 -0.338 0.000 -14.042 1.00 0.00 O ATOM 0 H ASP B 448 1.484 1.482 -9.974 1.00 0.00 H new ATOM 0 HA ASP B 448 -0.743 2.670 -11.290 1.00 0.00 H new ATOM 0 HB2 ASP B 448 1.352 2.092 -12.457 1.00 0.00 H new ATOM 0 HB3 ASP B 448 1.128 0.397 -12.074 1.00 0.00 H new ATOM 2042 N VAL B 449 -0.990 -0.530 -10.444 1.00 0.00 N ATOM 2043 CA VAL B 449 -1.967 -1.599 -10.273 1.00 0.00 C ATOM 2044 C VAL B 449 -2.935 -1.312 -9.128 1.00 0.00 C ATOM 2045 O VAL B 449 -4.140 -1.327 -9.349 1.00 0.00 O ATOM 2046 CB VAL B 449 -1.327 -2.996 -10.130 1.00 0.00 C ATOM 2047 CG1 VAL B 449 -0.205 -3.020 -9.109 1.00 0.00 C ATOM 2048 CG2 VAL B 449 -2.385 -4.020 -9.771 1.00 0.00 C ATOM 0 H VAL B 449 -0.033 -0.779 -10.194 1.00 0.00 H new ATOM 0 HA VAL B 449 -2.542 -1.619 -11.199 1.00 0.00 H new ATOM 0 HB VAL B 449 -0.886 -3.248 -11.095 1.00 0.00 H new ATOM 0 HG11 VAL B 449 0.210 -4.026 -9.048 1.00 0.00 H new ATOM 0 HG12 VAL B 449 0.577 -2.323 -9.411 1.00 0.00 H new ATOM 0 HG13 VAL B 449 -0.594 -2.728 -8.134 1.00 0.00 H new ATOM 0 HG21 VAL B 449 -1.922 -5.002 -9.673 1.00 0.00 H new ATOM 0 HG22 VAL B 449 -2.853 -3.743 -8.827 1.00 0.00 H new ATOM 0 HG23 VAL B 449 -3.141 -4.052 -10.555 1.00 0.00 H new ATOM 2058 N PHE B 450 -2.430 -1.034 -7.926 1.00 0.00 N ATOM 2059 CA PHE B 450 -3.291 -0.689 -6.804 1.00 0.00 C ATOM 2060 C PHE B 450 -4.265 0.429 -7.153 1.00 0.00 C ATOM 2061 O PHE B 450 -5.460 0.283 -6.946 1.00 0.00 O ATOM 2062 CB PHE B 450 -2.472 -0.265 -5.584 1.00 0.00 C ATOM 2063 CG PHE B 450 -3.261 0.569 -4.611 1.00 0.00 C ATOM 2064 CD1 PHE B 450 -4.147 -0.021 -3.724 1.00 0.00 C ATOM 2065 CD2 PHE B 450 -3.125 1.950 -4.599 1.00 0.00 C ATOM 2066 CE1 PHE B 450 -4.880 0.752 -2.846 1.00 0.00 C ATOM 2067 CE2 PHE B 450 -3.854 2.722 -3.721 1.00 0.00 C ATOM 2068 CZ PHE B 450 -4.732 2.123 -2.845 1.00 0.00 C ATOM 0 H PHE B 450 -1.433 -1.042 -7.709 1.00 0.00 H new ATOM 0 HA PHE B 450 -3.858 -1.590 -6.569 1.00 0.00 H new ATOM 0 HB2 PHE B 450 -2.101 -1.154 -5.075 1.00 0.00 H new ATOM 0 HB3 PHE B 450 -1.601 0.300 -5.916 1.00 0.00 H new ATOM 0 HD1 PHE B 450 -4.265 -1.095 -3.719 1.00 0.00 H new ATOM 0 HD2 PHE B 450 -2.440 2.425 -5.286 1.00 0.00 H new ATOM 0 HE1 PHE B 450 -5.570 0.283 -2.160 1.00 0.00 H new ATOM 0 HE2 PHE B 450 -3.737 3.796 -3.720 1.00 0.00 H new ATOM 0 HZ PHE B 450 -5.305 2.727 -2.157 1.00 0.00 H new ATOM 2078 N GLU B 451 -3.761 1.542 -7.674 1.00 0.00 N ATOM 2079 CA GLU B 451 -4.607 2.710 -7.892 1.00 0.00 C ATOM 2080 C GLU B 451 -5.644 2.425 -8.975 1.00 0.00 C ATOM 2081 O GLU B 451 -6.765 2.934 -8.921 1.00 0.00 O ATOM 2082 CB GLU B 451 -3.757 3.929 -8.253 1.00 0.00 C ATOM 2083 CG GLU B 451 -4.448 5.260 -8.009 1.00 0.00 C ATOM 2084 CD GLU B 451 -4.877 5.439 -6.564 1.00 0.00 C ATOM 2085 OE1 GLU B 451 -4.017 5.757 -5.712 1.00 0.00 O ATOM 2086 OE2 GLU B 451 -6.081 5.276 -6.275 1.00 0.00 O ATOM 0 H GLU B 451 -2.786 1.660 -7.950 1.00 0.00 H new ATOM 0 HA GLU B 451 -5.138 2.931 -6.966 1.00 0.00 H new ATOM 0 HB2 GLU B 451 -2.834 3.899 -7.674 1.00 0.00 H new ATOM 0 HB3 GLU B 451 -3.476 3.865 -9.304 1.00 0.00 H new ATOM 0 HG2 GLU B 451 -3.775 6.071 -8.287 1.00 0.00 H new ATOM 0 HG3 GLU B 451 -5.322 5.335 -8.656 1.00 0.00 H new ATOM 2093 N MET B 452 -5.280 1.594 -9.946 1.00 0.00 N ATOM 2094 CA MET B 452 -6.244 1.123 -10.932 1.00 0.00 C ATOM 2095 C MET B 452 -7.267 0.247 -10.224 1.00 0.00 C ATOM 2096 O MET B 452 -8.474 0.461 -10.339 1.00 0.00 O ATOM 2097 CB MET B 452 -5.548 0.321 -12.039 1.00 0.00 C ATOM 2098 CG MET B 452 -6.351 0.185 -13.335 1.00 0.00 C ATOM 2099 SD MET B 452 -7.981 -0.574 -13.126 1.00 0.00 S ATOM 2100 CE MET B 452 -7.558 -2.180 -12.451 1.00 0.00 C ATOM 0 H MET B 452 -4.333 1.236 -10.071 1.00 0.00 H new ATOM 0 HA MET B 452 -6.733 1.979 -11.396 1.00 0.00 H new ATOM 0 HB2 MET B 452 -4.594 0.796 -12.267 1.00 0.00 H new ATOM 0 HB3 MET B 452 -5.325 -0.676 -11.660 1.00 0.00 H new ATOM 0 HG2 MET B 452 -6.478 1.174 -13.776 1.00 0.00 H new ATOM 0 HG3 MET B 452 -5.775 -0.409 -14.045 1.00 0.00 H new ATOM 0 HE1 MET B 452 -8.041 -2.960 -13.039 1.00 0.00 H new ATOM 0 HE2 MET B 452 -6.477 -2.316 -12.485 1.00 0.00 H new ATOM 0 HE3 MET B 452 -7.899 -2.241 -11.417 1.00 0.00 H new ATOM 2110 N ARG B 453 -6.765 -0.735 -9.476 1.00 0.00 N ATOM 2111 CA ARG B 453 -7.616 -1.623 -8.702 1.00 0.00 C ATOM 2112 C ARG B 453 -8.539 -0.827 -7.802 1.00 0.00 C ATOM 2113 O ARG B 453 -9.699 -1.184 -7.597 1.00 0.00 O ATOM 2114 CB ARG B 453 -6.807 -2.575 -7.826 1.00 0.00 C ATOM 2115 CG ARG B 453 -5.915 -3.534 -8.574 1.00 0.00 C ATOM 2116 CD ARG B 453 -6.323 -4.938 -8.253 1.00 0.00 C ATOM 2117 NE ARG B 453 -6.070 -5.865 -9.353 1.00 0.00 N ATOM 2118 CZ ARG B 453 -6.631 -7.071 -9.454 1.00 0.00 C ATOM 2119 NH1 ARG B 453 -7.430 -7.525 -8.494 1.00 0.00 N ATOM 2120 NH2 ARG B 453 -6.394 -7.824 -10.519 1.00 0.00 N ATOM 0 H ARG B 453 -5.768 -0.932 -9.393 1.00 0.00 H new ATOM 0 HA ARG B 453 -8.191 -2.204 -9.423 1.00 0.00 H new ATOM 0 HB2 ARG B 453 -6.191 -1.984 -7.148 1.00 0.00 H new ATOM 0 HB3 ARG B 453 -7.497 -3.151 -7.210 1.00 0.00 H new ATOM 0 HG2 ARG B 453 -5.990 -3.357 -9.647 1.00 0.00 H new ATOM 0 HG3 ARG B 453 -4.873 -3.373 -8.296 1.00 0.00 H new ATOM 0 HD2 ARG B 453 -5.783 -5.275 -7.368 1.00 0.00 H new ATOM 0 HD3 ARG B 453 -7.384 -4.956 -8.005 1.00 0.00 H new ATOM 0 HE ARG B 453 -5.426 -5.573 -10.088 1.00 0.00 H new ATOM 0 HH11 ARG B 453 -7.618 -6.950 -7.673 1.00 0.00 H new ATOM 0 HH12 ARG B 453 -7.855 -8.448 -8.579 1.00 0.00 H new ATOM 0 HH21 ARG B 453 -5.783 -7.481 -11.260 1.00 0.00 H new ATOM 0 HH22 ARG B 453 -6.823 -8.746 -10.597 1.00 0.00 H new ATOM 2134 N PHE B 454 -8.009 0.253 -7.260 1.00 0.00 N ATOM 2135 CA PHE B 454 -8.733 1.053 -6.310 1.00 0.00 C ATOM 2136 C PHE B 454 -9.755 1.943 -7.008 1.00 0.00 C ATOM 2137 O PHE B 454 -10.767 2.328 -6.423 1.00 0.00 O ATOM 2138 CB PHE B 454 -7.794 1.914 -5.482 1.00 0.00 C ATOM 2139 CG PHE B 454 -8.326 2.044 -4.105 1.00 0.00 C ATOM 2140 CD1 PHE B 454 -8.495 0.907 -3.360 1.00 0.00 C ATOM 2141 CD2 PHE B 454 -8.722 3.258 -3.577 1.00 0.00 C ATOM 2142 CE1 PHE B 454 -9.036 0.945 -2.131 1.00 0.00 C ATOM 2143 CE2 PHE B 454 -9.267 3.314 -2.309 1.00 0.00 C ATOM 2144 CZ PHE B 454 -9.428 2.146 -1.588 1.00 0.00 C ATOM 0 H PHE B 454 -7.070 0.593 -7.469 1.00 0.00 H new ATOM 0 HA PHE B 454 -9.256 0.365 -5.645 1.00 0.00 H new ATOM 0 HB2 PHE B 454 -6.800 1.467 -5.458 1.00 0.00 H new ATOM 0 HB3 PHE B 454 -7.690 2.899 -5.937 1.00 0.00 H new ATOM 0 HD1 PHE B 454 -8.186 -0.043 -3.771 1.00 0.00 H new ATOM 0 HD2 PHE B 454 -8.605 4.163 -4.155 1.00 0.00 H new ATOM 0 HE1 PHE B 454 -9.163 0.032 -1.569 1.00 0.00 H new ATOM 0 HE2 PHE B 454 -9.565 4.262 -1.885 1.00 0.00 H new ATOM 0 HZ PHE B 454 -9.861 2.176 -0.599 1.00 0.00 H new