USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 775 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 531 SER OG : rot 180:sc= -0.013 USER MOD Set 1.2: A 584 ASN : amide:sc= -1.7 K(o=-1.7,f=-0.17) USER MOD Set 2.1: A 563 MET CE :methyl -169:sc= -6.58! (180deg=-7.48!) USER MOD Set 2.2: A 572 MET CE :methyl 168:sc= -4.96! (180deg=-5.44!) USER MOD Set 3.1: A 553 MET CE :methyl -118:sc= -0.201 (180deg=-0.053) USER MOD Set 3.2: A 556 THR OG1 : rot -78:sc= -0.0481 USER MOD Set 4.1: A 523 HIS : no HE2:sc= -2.98! C(o=-1.8!,f=-11!) USER MOD Set 4.2: A 525 CYS SG : rot 57:sc= 1.42 USER MOD Set 4.3: A 558 GLN : amide:sc= -0.207 K(o=-1.8,f=-1.1) USER MOD Single : A 526 ASN : amide:sc= 0.818 K(o=0.82,f=-0.97) USER MOD Single : A 532 CYS SG : rot 10:sc= -1.32! USER MOD Single : A 533 THR OG1 : rot -142:sc= 1.95 USER MOD Single : A 535 ASN : amide:sc= 0.0726 X(o=0.073,f=0) USER MOD Single : A 539 ASN : amide:sc= -3.24 K(o=-3.2,f=-1.7) USER MOD Single : A 546 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 548 THR OG1 : rot 101:sc= 1.27 USER MOD Single : A 549 ASN : amide:sc= -0.752 K(o=-0.75,f=-3.7!) USER MOD Single : A 550 TYR OH : rot 180:sc= 0 USER MOD Single : A 554 LYS NZ :NH3+ -169:sc= 0.582 (180deg=0.302) USER MOD Single : A 555 SER OG : rot 180:sc= 0 USER MOD Single : A 557 ASN : amide:sc= -1.4 K(o=-1.4,f=0.006) USER MOD Single : A 565 TYR OH : rot 180:sc= 0 USER MOD Single : A 566 THR OG1 : rot 180:sc= 0 USER MOD Single : A 570 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 574 GLN : amide:sc= -1.31! K(o=-1.3!,f=-0.017) USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 TYR OH : rot 180:sc= -0.513 USER MOD Single : A 577 GLN : amide:sc= 0.313 K(o=0.31,f=-5.7!) USER MOD Single : A 579 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 587 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 592 MET CE :methyl 178:sc= 0 (180deg=-0.00206) USER MOD Single : A 593 SER OG : rot 67:sc= -2.78! USER MOD Single : A 594 THR OG1 : rot 180:sc= 0.00371 USER MOD Single : A 596 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 LYS NZ :NH3+ -171:sc= -0.0211 (180deg=-0.149) USER MOD Single : A 600 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 602 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 603 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0254) USER MOD Single : A 607 ASN : amide:sc= 0.0439 K(o=0.044,f=-3.9!) USER MOD Single : A 613 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.24) USER MOD Single : A 616 HIS : no HD1:sc= -0.558 K(o=-0.56,f=0.15) USER MOD Single : A 617 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 321 N ARG A 520 9.277 -2.709 7.575 1.00 0.46 N ATOM 322 CA ARG A 520 8.919 -3.017 6.200 1.00 0.40 C ATOM 323 C ARG A 520 8.256 -1.828 5.524 1.00 0.34 C ATOM 324 O ARG A 520 7.385 -1.174 6.095 1.00 0.36 O ATOM 325 CB ARG A 520 7.965 -4.212 6.162 1.00 0.44 C ATOM 326 CG ARG A 520 8.539 -5.477 6.776 1.00 0.56 C ATOM 327 CD ARG A 520 7.454 -6.506 7.027 1.00 0.64 C ATOM 328 NE ARG A 520 6.412 -5.980 7.908 1.00 0.93 N ATOM 329 CZ ARG A 520 6.416 -6.123 9.233 1.00 1.70 C ATOM 330 NH1 ARG A 520 7.364 -6.833 9.828 1.00 2.13 N ATOM 331 NH2 ARG A 520 5.459 -5.564 9.958 1.00 2.22 N ATOM 0 HA ARG A 520 9.837 -3.257 5.663 1.00 0.40 H new ATOM 0 HB2 ARG A 520 7.047 -3.949 6.688 1.00 0.44 H new ATOM 0 HB3 ARG A 520 7.692 -4.414 5.126 1.00 0.44 H new ATOM 0 HG2 ARG A 520 9.295 -5.896 6.112 1.00 0.56 H new ATOM 0 HG3 ARG A 520 9.038 -5.235 7.714 1.00 0.56 H new ATOM 0 HD2 ARG A 520 7.011 -6.809 6.078 1.00 0.64 H new ATOM 0 HD3 ARG A 520 7.893 -7.398 7.473 1.00 0.64 H new ATOM 0 HE ARG A 520 5.636 -5.473 7.483 1.00 0.93 H new ATOM 0 HH11 ARG A 520 8.096 -7.274 9.271 1.00 2.13 H new ATOM 0 HH12 ARG A 520 7.361 -6.939 10.843 1.00 2.13 H new ATOM 0 HH21 ARG A 520 4.722 -5.026 9.502 1.00 2.22 H new ATOM 0 HH22 ARG A 520 5.459 -5.671 10.972 1.00 2.22 H new ATOM 345 N VAL A 521 8.691 -1.558 4.308 1.00 0.29 N ATOM 346 CA VAL A 521 8.039 -0.579 3.456 1.00 0.24 C ATOM 347 C VAL A 521 7.481 -1.243 2.205 1.00 0.21 C ATOM 348 O VAL A 521 8.222 -1.869 1.437 1.00 0.23 O ATOM 349 CB VAL A 521 8.978 0.581 3.077 1.00 0.26 C ATOM 350 CG1 VAL A 521 8.298 1.527 2.110 1.00 0.27 C ATOM 351 CG2 VAL A 521 9.422 1.322 4.320 1.00 0.32 C ATOM 0 H VAL A 521 9.502 -2.008 3.884 1.00 0.29 H new ATOM 0 HA VAL A 521 7.215 -0.154 4.029 1.00 0.24 H new ATOM 0 HB VAL A 521 9.858 0.166 2.585 1.00 0.26 H new ATOM 0 HG11 VAL A 521 8.979 2.339 1.856 1.00 0.27 H new ATOM 0 HG12 VAL A 521 8.024 0.986 1.204 1.00 0.27 H new ATOM 0 HG13 VAL A 521 7.401 1.938 2.573 1.00 0.27 H new ATOM 0 HG21 VAL A 521 10.085 2.140 4.039 1.00 0.32 H new ATOM 0 HG22 VAL A 521 8.549 1.724 4.835 1.00 0.32 H new ATOM 0 HG23 VAL A 521 9.951 0.637 4.982 1.00 0.32 H new ATOM 361 N VAL A 522 6.179 -1.114 2.012 1.00 0.20 N ATOM 362 CA VAL A 522 5.516 -1.660 0.841 1.00 0.18 C ATOM 363 C VAL A 522 4.825 -0.522 0.100 1.00 0.18 C ATOM 364 O VAL A 522 4.009 0.192 0.685 1.00 0.19 O ATOM 365 CB VAL A 522 4.486 -2.740 1.230 1.00 0.20 C ATOM 366 CG1 VAL A 522 3.924 -3.424 -0.004 1.00 0.21 C ATOM 367 CG2 VAL A 522 5.104 -3.760 2.174 1.00 0.22 C ATOM 0 H VAL A 522 5.556 -0.631 2.659 1.00 0.20 H new ATOM 0 HA VAL A 522 6.260 -2.133 0.200 1.00 0.18 H new ATOM 0 HB VAL A 522 3.663 -2.248 1.749 1.00 0.20 H new ATOM 0 HG11 VAL A 522 3.200 -4.181 0.298 1.00 0.21 H new ATOM 0 HG12 VAL A 522 3.434 -2.685 -0.638 1.00 0.21 H new ATOM 0 HG13 VAL A 522 4.734 -3.897 -0.559 1.00 0.21 H new ATOM 0 HG21 VAL A 522 4.359 -4.512 2.435 1.00 0.22 H new ATOM 0 HG22 VAL A 522 5.951 -4.242 1.685 1.00 0.22 H new ATOM 0 HG23 VAL A 522 5.445 -3.258 3.079 1.00 0.22 H new ATOM 377 N HIS A 523 5.159 -0.325 -1.166 1.00 0.18 N ATOM 378 CA HIS A 523 4.632 0.799 -1.924 1.00 0.18 C ATOM 379 C HIS A 523 3.572 0.328 -2.914 1.00 0.17 C ATOM 380 O HIS A 523 3.753 -0.670 -3.613 1.00 0.18 O ATOM 381 CB HIS A 523 5.780 1.485 -2.675 1.00 0.20 C ATOM 382 CG HIS A 523 5.392 2.723 -3.420 1.00 0.25 C ATOM 383 ND1 HIS A 523 4.956 2.710 -4.723 1.00 0.39 N ATOM 384 CD2 HIS A 523 5.410 4.023 -3.047 1.00 0.30 C ATOM 385 CE1 HIS A 523 4.726 3.942 -5.120 1.00 0.44 C ATOM 386 NE2 HIS A 523 4.994 4.764 -4.123 1.00 0.37 N ATOM 0 H HIS A 523 5.792 -0.929 -1.690 1.00 0.18 H new ATOM 0 HA HIS A 523 4.169 1.506 -1.236 1.00 0.18 H new ATOM 0 HB2 HIS A 523 6.563 1.739 -1.960 1.00 0.20 H new ATOM 0 HB3 HIS A 523 6.210 0.774 -3.380 1.00 0.20 H new ATOM 0 HD1 HIS A 523 4.830 1.874 -5.294 1.00 0.39 H new ATOM 0 HD2 HIS A 523 5.699 4.407 -2.080 1.00 0.30 H new ATOM 0 HE1 HIS A 523 4.376 4.233 -6.099 1.00 0.44 H new ATOM 395 N ILE A 524 2.478 1.060 -2.972 1.00 0.16 N ATOM 396 CA ILE A 524 1.408 0.777 -3.907 1.00 0.16 C ATOM 397 C ILE A 524 1.360 1.886 -4.947 1.00 0.17 C ATOM 398 O ILE A 524 1.535 3.058 -4.622 1.00 0.19 O ATOM 399 CB ILE A 524 0.051 0.659 -3.180 1.00 0.17 C ATOM 400 CG1 ILE A 524 0.153 -0.409 -2.085 1.00 0.16 C ATOM 401 CG2 ILE A 524 -1.068 0.329 -4.162 1.00 0.18 C ATOM 402 CD1 ILE A 524 -1.151 -0.699 -1.381 1.00 0.18 C ATOM 0 H ILE A 524 2.306 1.867 -2.373 1.00 0.16 H new ATOM 0 HA ILE A 524 1.602 -0.179 -4.394 1.00 0.16 H new ATOM 0 HB ILE A 524 -0.191 1.618 -2.721 1.00 0.17 H new ATOM 0 HG12 ILE A 524 0.528 -1.332 -2.527 1.00 0.16 H new ATOM 0 HG13 ILE A 524 0.888 -0.088 -1.347 1.00 0.16 H new ATOM 0 HG21 ILE A 524 -2.013 0.251 -3.624 1.00 0.18 H new ATOM 0 HG22 ILE A 524 -1.140 1.118 -4.910 1.00 0.18 H new ATOM 0 HG23 ILE A 524 -0.852 -0.619 -4.655 1.00 0.18 H new ATOM 0 HD11 ILE A 524 -0.992 -1.465 -0.622 1.00 0.18 H new ATOM 0 HD12 ILE A 524 -1.519 0.211 -0.907 1.00 0.18 H new ATOM 0 HD13 ILE A 524 -1.885 -1.053 -2.105 1.00 0.18 H new ATOM 414 N CYS A 525 1.154 1.524 -6.196 1.00 0.17 N ATOM 415 CA CYS A 525 1.265 2.486 -7.276 1.00 0.18 C ATOM 416 C CYS A 525 0.078 2.394 -8.219 1.00 0.15 C ATOM 417 O CYS A 525 -0.622 1.379 -8.245 1.00 0.16 O ATOM 418 CB CYS A 525 2.556 2.233 -8.058 1.00 0.29 C ATOM 419 SG CYS A 525 3.787 1.262 -7.154 1.00 1.17 S ATOM 0 H CYS A 525 0.910 0.578 -6.489 1.00 0.17 H new ATOM 0 HA CYS A 525 1.281 3.485 -6.841 1.00 0.18 H new ATOM 0 HB2 CYS A 525 2.311 1.716 -8.986 1.00 0.29 H new ATOM 0 HB3 CYS A 525 2.996 3.192 -8.333 1.00 0.29 H new ATOM 0 HG CYS A 525 3.264 0.129 -6.789 1.00 1.17 H new ATOM 425 N ASN A 526 -0.135 3.485 -8.959 1.00 0.15 N ATOM 426 CA ASN A 526 -1.142 3.570 -10.028 1.00 0.16 C ATOM 427 C ASN A 526 -2.493 3.980 -9.469 1.00 0.15 C ATOM 428 O ASN A 526 -3.540 3.628 -10.010 1.00 0.18 O ATOM 429 CB ASN A 526 -1.263 2.266 -10.835 1.00 0.19 C ATOM 430 CG ASN A 526 0.004 1.921 -11.592 1.00 0.21 C ATOM 431 OD1 ASN A 526 0.793 2.796 -11.941 1.00 0.22 O ATOM 432 ND2 ASN A 526 0.200 0.643 -11.865 1.00 0.26 N ATOM 0 H ASN A 526 0.393 4.348 -8.833 1.00 0.15 H new ATOM 0 HA ASN A 526 -0.798 4.340 -10.719 1.00 0.16 H new ATOM 0 HB2 ASN A 526 -1.510 1.448 -10.159 1.00 0.19 H new ATOM 0 HB3 ASN A 526 -2.089 2.357 -11.541 1.00 0.19 H new ATOM 0 HD21 ASN A 526 1.030 0.354 -12.383 1.00 0.26 H new ATOM 0 HD22 ASN A 526 -0.478 -0.054 -11.558 1.00 0.26 H new ATOM 439 N LEU A 527 -2.456 4.762 -8.403 1.00 0.15 N ATOM 440 CA LEU A 527 -3.668 5.278 -7.795 1.00 0.17 C ATOM 441 C LEU A 527 -3.989 6.646 -8.380 1.00 0.22 C ATOM 442 O LEU A 527 -3.149 7.544 -8.358 1.00 0.25 O ATOM 443 CB LEU A 527 -3.497 5.379 -6.278 1.00 0.15 C ATOM 444 CG LEU A 527 -3.454 4.045 -5.535 1.00 0.16 C ATOM 445 CD1 LEU A 527 -3.019 4.253 -4.098 1.00 0.18 C ATOM 446 CD2 LEU A 527 -4.819 3.384 -5.570 1.00 0.21 C ATOM 0 H LEU A 527 -1.595 5.054 -7.940 1.00 0.15 H new ATOM 0 HA LEU A 527 -4.492 4.596 -8.006 1.00 0.17 H new ATOM 0 HB2 LEU A 527 -2.576 5.923 -6.068 1.00 0.15 H new ATOM 0 HB3 LEU A 527 -4.317 5.974 -5.875 1.00 0.15 H new ATOM 0 HG LEU A 527 -2.731 3.397 -6.030 1.00 0.16 H new ATOM 0 HD11 LEU A 527 -2.994 3.293 -3.583 1.00 0.18 H new ATOM 0 HD12 LEU A 527 -2.025 4.701 -4.080 1.00 0.18 H new ATOM 0 HD13 LEU A 527 -3.725 4.915 -3.596 1.00 0.18 H new ATOM 0 HD21 LEU A 527 -4.777 2.434 -5.037 1.00 0.21 H new ATOM 0 HD22 LEU A 527 -5.551 4.035 -5.093 1.00 0.21 H new ATOM 0 HD23 LEU A 527 -5.111 3.207 -6.605 1.00 0.21 H new ATOM 458 N PRO A 528 -5.195 6.829 -8.928 1.00 0.26 N ATOM 459 CA PRO A 528 -5.581 8.103 -9.522 1.00 0.33 C ATOM 460 C PRO A 528 -5.868 9.151 -8.452 1.00 0.34 C ATOM 461 O PRO A 528 -6.564 8.872 -7.478 1.00 0.32 O ATOM 462 CB PRO A 528 -6.861 7.779 -10.309 1.00 0.38 C ATOM 463 CG PRO A 528 -7.081 6.301 -10.180 1.00 0.37 C ATOM 464 CD PRO A 528 -6.264 5.830 -9.014 1.00 0.29 C ATOM 0 HA PRO A 528 -4.790 8.519 -10.146 1.00 0.33 H new ATOM 0 HB2 PRO A 528 -7.711 8.333 -9.911 1.00 0.38 H new ATOM 0 HB3 PRO A 528 -6.755 8.065 -11.355 1.00 0.38 H new ATOM 0 HG2 PRO A 528 -8.137 6.082 -10.023 1.00 0.37 H new ATOM 0 HG3 PRO A 528 -6.781 5.786 -11.093 1.00 0.37 H new ATOM 0 HD2 PRO A 528 -6.854 5.792 -8.098 1.00 0.29 H new ATOM 0 HD3 PRO A 528 -5.867 4.828 -9.179 1.00 0.29 H new ATOM 472 N GLU A 529 -5.331 10.350 -8.632 1.00 0.41 N ATOM 473 CA GLU A 529 -5.585 11.448 -7.708 1.00 0.46 C ATOM 474 C GLU A 529 -7.050 11.853 -7.789 1.00 0.47 C ATOM 475 O GLU A 529 -7.594 12.012 -8.883 1.00 0.53 O ATOM 476 CB GLU A 529 -4.672 12.628 -8.025 1.00 0.57 C ATOM 477 CG GLU A 529 -4.920 13.848 -7.157 1.00 0.66 C ATOM 478 CD GLU A 529 -4.086 15.036 -7.577 1.00 1.12 C ATOM 479 OE1 GLU A 529 -4.438 15.689 -8.583 1.00 1.60 O ATOM 480 OE2 GLU A 529 -3.080 15.337 -6.903 1.00 1.41 O ATOM 0 H GLU A 529 -4.716 10.588 -9.410 1.00 0.41 H new ATOM 0 HA GLU A 529 -5.369 11.122 -6.690 1.00 0.46 H new ATOM 0 HB2 GLU A 529 -3.635 12.314 -7.906 1.00 0.57 H new ATOM 0 HB3 GLU A 529 -4.803 12.906 -9.071 1.00 0.57 H new ATOM 0 HG2 GLU A 529 -5.976 14.115 -7.204 1.00 0.66 H new ATOM 0 HG3 GLU A 529 -4.699 13.602 -6.118 1.00 0.66 H new ATOM 487 N GLY A 530 -7.687 12.016 -6.641 1.00 0.46 N ATOM 488 CA GLY A 530 -9.120 12.211 -6.622 1.00 0.48 C ATOM 489 C GLY A 530 -9.829 10.882 -6.511 1.00 0.43 C ATOM 490 O GLY A 530 -11.055 10.800 -6.551 1.00 0.46 O ATOM 0 H GLY A 530 -7.239 12.017 -5.725 1.00 0.46 H new ATOM 0 HA2 GLY A 530 -9.396 12.849 -5.782 1.00 0.48 H new ATOM 0 HA3 GLY A 530 -9.436 12.725 -7.530 1.00 0.48 H new ATOM 494 N SER A 531 -9.032 9.831 -6.380 1.00 0.37 N ATOM 495 CA SER A 531 -9.534 8.473 -6.303 1.00 0.35 C ATOM 496 C SER A 531 -8.603 7.614 -5.449 1.00 0.28 C ATOM 497 O SER A 531 -8.747 6.393 -5.381 1.00 0.30 O ATOM 498 CB SER A 531 -9.656 7.891 -7.709 1.00 0.40 C ATOM 499 OG SER A 531 -10.554 8.658 -8.496 1.00 1.08 O ATOM 0 H SER A 531 -8.016 9.900 -6.324 1.00 0.37 H new ATOM 0 HA SER A 531 -10.519 8.481 -5.836 1.00 0.35 H new ATOM 0 HB2 SER A 531 -8.676 7.870 -8.185 1.00 0.40 H new ATOM 0 HB3 SER A 531 -10.005 6.860 -7.652 1.00 0.40 H new ATOM 0 HG SER A 531 -10.617 8.269 -9.393 1.00 1.08 H new ATOM 505 N CYS A 532 -7.647 8.265 -4.795 1.00 0.24 N ATOM 506 CA CYS A 532 -6.751 7.580 -3.880 1.00 0.20 C ATOM 507 C CYS A 532 -7.375 7.604 -2.505 1.00 0.18 C ATOM 508 O CYS A 532 -7.135 8.527 -1.727 1.00 0.21 O ATOM 509 CB CYS A 532 -5.379 8.267 -3.821 1.00 0.21 C ATOM 510 SG CYS A 532 -4.563 8.463 -5.417 1.00 0.25 S ATOM 0 H CYS A 532 -7.475 9.267 -4.884 1.00 0.24 H new ATOM 0 HA CYS A 532 -6.602 6.558 -4.229 1.00 0.20 H new ATOM 0 HB2 CYS A 532 -5.500 9.251 -3.367 1.00 0.21 H new ATOM 0 HB3 CYS A 532 -4.728 7.691 -3.164 1.00 0.21 H new ATOM 0 HG CYS A 532 -5.394 8.161 -6.370 1.00 0.25 H new ATOM 516 N THR A 533 -8.197 6.619 -2.202 1.00 0.17 N ATOM 517 CA THR A 533 -8.874 6.619 -0.930 1.00 0.18 C ATOM 518 C THR A 533 -8.098 5.765 0.047 1.00 0.17 C ATOM 519 O THR A 533 -7.434 4.804 -0.345 1.00 0.18 O ATOM 520 CB THR A 533 -10.302 6.058 -1.064 1.00 0.26 C ATOM 521 OG1 THR A 533 -10.244 4.651 -1.323 1.00 0.35 O ATOM 522 CG2 THR A 533 -11.052 6.751 -2.191 1.00 0.28 C ATOM 0 H THR A 533 -8.407 5.826 -2.808 1.00 0.17 H new ATOM 0 HA THR A 533 -8.936 7.647 -0.572 1.00 0.18 H new ATOM 0 HB THR A 533 -10.833 6.240 -0.130 1.00 0.26 H new ATOM 0 HG1 THR A 533 -10.942 4.408 -1.966 1.00 0.35 H new ATOM 0 HG21 THR A 533 -12.058 6.338 -2.266 1.00 0.28 H new ATOM 0 HG22 THR A 533 -11.113 7.820 -1.984 1.00 0.28 H new ATOM 0 HG23 THR A 533 -10.523 6.593 -3.131 1.00 0.28 H new ATOM 530 N GLU A 534 -8.188 6.110 1.315 1.00 0.19 N ATOM 531 CA GLU A 534 -7.546 5.343 2.358 1.00 0.20 C ATOM 532 C GLU A 534 -8.221 3.990 2.454 1.00 0.19 C ATOM 533 O GLU A 534 -7.590 2.974 2.741 1.00 0.20 O ATOM 534 CB GLU A 534 -7.588 6.110 3.678 1.00 0.23 C ATOM 535 CG GLU A 534 -7.060 7.544 3.545 1.00 0.27 C ATOM 536 CD GLU A 534 -7.172 8.339 4.829 1.00 0.93 C ATOM 537 OE1 GLU A 534 -8.196 9.037 5.009 1.00 1.17 O ATOM 538 OE2 GLU A 534 -6.236 8.291 5.654 1.00 1.64 O ATOM 0 H GLU A 534 -8.705 6.924 1.648 1.00 0.19 H new ATOM 0 HA GLU A 534 -6.494 5.183 2.122 1.00 0.20 H new ATOM 0 HB2 GLU A 534 -8.614 6.137 4.045 1.00 0.23 H new ATOM 0 HB3 GLU A 534 -6.997 5.577 4.423 1.00 0.23 H new ATOM 0 HG2 GLU A 534 -6.016 7.513 3.234 1.00 0.27 H new ATOM 0 HG3 GLU A 534 -7.612 8.057 2.758 1.00 0.27 H new ATOM 545 N ASN A 535 -9.522 4.000 2.191 1.00 0.20 N ATOM 546 CA ASN A 535 -10.330 2.796 2.268 1.00 0.22 C ATOM 547 C ASN A 535 -9.907 1.762 1.233 1.00 0.21 C ATOM 548 O ASN A 535 -9.622 0.642 1.603 1.00 0.21 O ATOM 549 CB ASN A 535 -11.814 3.129 2.092 1.00 0.27 C ATOM 550 CG ASN A 535 -12.476 3.551 3.388 1.00 0.96 C ATOM 551 OD1 ASN A 535 -12.416 4.714 3.783 1.00 1.82 O ATOM 552 ND2 ASN A 535 -13.131 2.613 4.052 1.00 1.38 N ATOM 0 H ASN A 535 -10.040 4.836 1.921 1.00 0.20 H new ATOM 0 HA ASN A 535 -10.172 2.367 3.257 1.00 0.22 H new ATOM 0 HB2 ASN A 535 -11.918 3.928 1.358 1.00 0.27 H new ATOM 0 HB3 ASN A 535 -12.332 2.258 1.691 1.00 0.27 H new ATOM 0 HD21 ASN A 535 -13.609 2.844 4.923 1.00 1.38 H new ATOM 0 HD22 ASN A 535 -13.159 1.659 3.693 1.00 1.38 H new ATOM 559 N ASP A 536 -9.764 2.149 -0.037 1.00 0.21 N ATOM 560 CA ASP A 536 -9.515 1.163 -1.104 1.00 0.22 C ATOM 561 C ASP A 536 -8.132 0.542 -0.968 1.00 0.17 C ATOM 562 O ASP A 536 -7.959 -0.672 -1.092 1.00 0.16 O ATOM 563 CB ASP A 536 -9.646 1.795 -2.499 1.00 0.27 C ATOM 564 CG ASP A 536 -11.082 1.940 -2.964 1.00 0.37 C ATOM 565 OD1 ASP A 536 -11.675 0.940 -3.424 1.00 0.44 O ATOM 566 OD2 ASP A 536 -11.631 3.058 -2.847 1.00 0.61 O ATOM 0 H ASP A 536 -9.814 3.118 -0.353 1.00 0.21 H new ATOM 0 HA ASP A 536 -10.272 0.386 -0.995 1.00 0.22 H new ATOM 0 HB2 ASP A 536 -9.174 2.778 -2.490 1.00 0.27 H new ATOM 0 HB3 ASP A 536 -9.099 1.185 -3.218 1.00 0.27 H new ATOM 571 N VAL A 537 -7.164 1.400 -0.713 1.00 0.15 N ATOM 572 CA VAL A 537 -5.773 0.985 -0.588 1.00 0.13 C ATOM 573 C VAL A 537 -5.615 -0.004 0.569 1.00 0.12 C ATOM 574 O VAL A 537 -5.020 -1.081 0.424 1.00 0.13 O ATOM 575 CB VAL A 537 -4.859 2.216 -0.390 1.00 0.12 C ATOM 576 CG1 VAL A 537 -3.389 1.832 -0.373 1.00 0.12 C ATOM 577 CG2 VAL A 537 -5.119 3.225 -1.493 1.00 0.13 C ATOM 0 H VAL A 537 -7.314 2.401 -0.586 1.00 0.15 H new ATOM 0 HA VAL A 537 -5.473 0.484 -1.508 1.00 0.13 H new ATOM 0 HB VAL A 537 -5.094 2.657 0.579 1.00 0.12 H new ATOM 0 HG11 VAL A 537 -2.781 2.726 -0.232 1.00 0.12 H new ATOM 0 HG12 VAL A 537 -3.205 1.135 0.444 1.00 0.12 H new ATOM 0 HG13 VAL A 537 -3.125 1.360 -1.319 1.00 0.12 H new ATOM 0 HG21 VAL A 537 -4.474 4.092 -1.352 1.00 0.13 H new ATOM 0 HG22 VAL A 537 -4.908 2.769 -2.460 1.00 0.13 H new ATOM 0 HG23 VAL A 537 -6.162 3.539 -1.460 1.00 0.13 H new ATOM 587 N ILE A 538 -6.183 0.349 1.709 1.00 0.12 N ATOM 588 CA ILE A 538 -6.180 -0.527 2.864 1.00 0.12 C ATOM 589 C ILE A 538 -7.066 -1.758 2.640 1.00 0.12 C ATOM 590 O ILE A 538 -6.762 -2.844 3.141 1.00 0.12 O ATOM 591 CB ILE A 538 -6.602 0.205 4.146 1.00 0.14 C ATOM 592 CG1 ILE A 538 -5.599 1.302 4.492 1.00 0.16 C ATOM 593 CG2 ILE A 538 -6.713 -0.779 5.293 1.00 0.14 C ATOM 594 CD1 ILE A 538 -5.964 2.062 5.743 1.00 0.23 C ATOM 0 H ILE A 538 -6.654 1.241 1.858 1.00 0.12 H new ATOM 0 HA ILE A 538 -5.151 -0.862 2.994 1.00 0.12 H new ATOM 0 HB ILE A 538 -7.575 0.666 3.978 1.00 0.14 H new ATOM 0 HG12 ILE A 538 -4.612 0.857 4.619 1.00 0.16 H new ATOM 0 HG13 ILE A 538 -5.529 1.999 3.657 1.00 0.16 H new ATOM 0 HG21 ILE A 538 -7.013 -0.251 6.198 1.00 0.14 H new ATOM 0 HG22 ILE A 538 -7.458 -1.537 5.051 1.00 0.14 H new ATOM 0 HG23 ILE A 538 -5.748 -1.258 5.456 1.00 0.14 H new ATOM 0 HD11 ILE A 538 -5.213 2.828 5.936 1.00 0.23 H new ATOM 0 HD12 ILE A 538 -6.938 2.534 5.611 1.00 0.23 H new ATOM 0 HD13 ILE A 538 -6.006 1.374 6.587 1.00 0.23 H new ATOM 606 N ASN A 539 -8.172 -1.591 1.905 1.00 0.12 N ATOM 607 CA ASN A 539 -9.068 -2.712 1.609 1.00 0.14 C ATOM 608 C ASN A 539 -8.314 -3.818 0.901 1.00 0.15 C ATOM 609 O ASN A 539 -8.702 -4.977 0.973 1.00 0.17 O ATOM 610 CB ASN A 539 -10.257 -2.329 0.707 1.00 0.17 C ATOM 611 CG ASN A 539 -11.344 -1.482 1.358 1.00 0.20 C ATOM 612 OD1 ASN A 539 -12.011 -0.703 0.677 1.00 0.25 O ATOM 613 ND2 ASN A 539 -11.547 -1.624 2.656 1.00 0.21 N ATOM 0 H ASN A 539 -8.465 -0.698 1.508 1.00 0.12 H new ATOM 0 HA ASN A 539 -9.452 -3.034 2.577 1.00 0.14 H new ATOM 0 HB2 ASN A 539 -9.872 -1.788 -0.158 1.00 0.17 H new ATOM 0 HB3 ASN A 539 -10.713 -3.245 0.333 1.00 0.17 H new ATOM 0 HD21 ASN A 539 -12.273 -1.080 3.121 1.00 0.21 H new ATOM 0 HD22 ASN A 539 -10.977 -2.278 3.193 1.00 0.21 H new ATOM 620 N LEU A 540 -7.274 -3.454 0.167 1.00 0.15 N ATOM 621 CA LEU A 540 -6.413 -4.447 -0.444 1.00 0.17 C ATOM 622 C LEU A 540 -5.473 -5.049 0.597 1.00 0.16 C ATOM 623 O LEU A 540 -5.252 -6.258 0.621 1.00 0.19 O ATOM 624 CB LEU A 540 -5.597 -3.811 -1.567 1.00 0.19 C ATOM 625 CG LEU A 540 -6.413 -3.230 -2.720 1.00 0.22 C ATOM 626 CD1 LEU A 540 -5.487 -2.702 -3.798 1.00 0.27 C ATOM 627 CD2 LEU A 540 -7.366 -4.268 -3.295 1.00 0.24 C ATOM 0 H LEU A 540 -7.009 -2.486 -0.017 1.00 0.15 H new ATOM 0 HA LEU A 540 -7.037 -5.240 -0.857 1.00 0.17 H new ATOM 0 HB2 LEU A 540 -4.983 -3.017 -1.142 1.00 0.19 H new ATOM 0 HB3 LEU A 540 -4.916 -4.561 -1.968 1.00 0.19 H new ATOM 0 HG LEU A 540 -7.012 -2.405 -2.334 1.00 0.22 H new ATOM 0 HD11 LEU A 540 -6.078 -2.290 -4.616 1.00 0.27 H new ATOM 0 HD12 LEU A 540 -4.851 -1.921 -3.381 1.00 0.27 H new ATOM 0 HD13 LEU A 540 -4.865 -3.515 -4.174 1.00 0.27 H new ATOM 0 HD21 LEU A 540 -7.934 -3.826 -4.114 1.00 0.24 H new ATOM 0 HD22 LEU A 540 -6.796 -5.119 -3.666 1.00 0.24 H new ATOM 0 HD23 LEU A 540 -8.052 -4.603 -2.517 1.00 0.24 H new ATOM 639 N GLY A 541 -4.935 -4.190 1.464 1.00 0.14 N ATOM 640 CA GLY A 541 -4.010 -4.644 2.491 1.00 0.16 C ATOM 641 C GLY A 541 -4.584 -5.629 3.500 1.00 0.15 C ATOM 642 O GLY A 541 -4.037 -6.712 3.693 1.00 0.19 O ATOM 0 H GLY A 541 -5.124 -3.188 1.473 1.00 0.14 H new ATOM 0 HA2 GLY A 541 -3.152 -5.108 2.004 1.00 0.16 H new ATOM 0 HA3 GLY A 541 -3.637 -3.773 3.031 1.00 0.16 H new ATOM 646 N LEU A 542 -5.700 -5.280 4.109 1.00 0.13 N ATOM 647 CA LEU A 542 -6.226 -6.044 5.245 1.00 0.14 C ATOM 648 C LEU A 542 -6.483 -7.533 4.957 1.00 0.16 C ATOM 649 O LEU A 542 -6.137 -8.375 5.787 1.00 0.20 O ATOM 650 CB LEU A 542 -7.485 -5.382 5.786 1.00 0.13 C ATOM 651 CG LEU A 542 -7.232 -4.119 6.604 1.00 0.14 C ATOM 652 CD1 LEU A 542 -8.534 -3.397 6.879 1.00 0.16 C ATOM 653 CD2 LEU A 542 -6.537 -4.474 7.907 1.00 0.16 C ATOM 0 H LEU A 542 -6.267 -4.474 3.844 1.00 0.13 H new ATOM 0 HA LEU A 542 -5.437 -6.029 5.997 1.00 0.14 H new ATOM 0 HB2 LEU A 542 -8.138 -5.134 4.950 1.00 0.13 H new ATOM 0 HB3 LEU A 542 -8.021 -6.101 6.406 1.00 0.13 H new ATOM 0 HG LEU A 542 -6.586 -3.454 6.031 1.00 0.14 H new ATOM 0 HD11 LEU A 542 -8.335 -2.499 7.463 1.00 0.16 H new ATOM 0 HD12 LEU A 542 -9.003 -3.120 5.935 1.00 0.16 H new ATOM 0 HD13 LEU A 542 -9.203 -4.052 7.437 1.00 0.16 H new ATOM 0 HD21 LEU A 542 -6.360 -3.566 8.484 1.00 0.16 H new ATOM 0 HD22 LEU A 542 -7.167 -5.153 8.482 1.00 0.16 H new ATOM 0 HD23 LEU A 542 -5.584 -4.958 7.691 1.00 0.16 H new ATOM 665 N PRO A 543 -7.092 -7.903 3.811 1.00 0.17 N ATOM 666 CA PRO A 543 -7.416 -9.307 3.516 1.00 0.19 C ATOM 667 C PRO A 543 -6.201 -10.239 3.520 1.00 0.20 C ATOM 668 O PRO A 543 -6.347 -11.435 3.768 1.00 0.23 O ATOM 669 CB PRO A 543 -8.041 -9.245 2.119 1.00 0.22 C ATOM 670 CG PRO A 543 -8.564 -7.861 2.020 1.00 0.21 C ATOM 671 CD PRO A 543 -7.552 -7.016 2.733 1.00 0.17 C ATOM 0 HA PRO A 543 -8.070 -9.724 4.282 1.00 0.19 H new ATOM 0 HB2 PRO A 543 -7.304 -9.449 1.343 1.00 0.22 H new ATOM 0 HB3 PRO A 543 -8.837 -9.981 2.005 1.00 0.22 H new ATOM 0 HG2 PRO A 543 -8.674 -7.553 0.980 1.00 0.21 H new ATOM 0 HG3 PRO A 543 -9.547 -7.776 2.483 1.00 0.21 H new ATOM 0 HD2 PRO A 543 -6.735 -6.721 2.075 1.00 0.17 H new ATOM 0 HD3 PRO A 543 -7.993 -6.099 3.124 1.00 0.17 H new ATOM 679 N PHE A 544 -5.009 -9.717 3.244 1.00 0.20 N ATOM 680 CA PHE A 544 -3.808 -10.550 3.255 1.00 0.22 C ATOM 681 C PHE A 544 -2.970 -10.313 4.514 1.00 0.22 C ATOM 682 O PHE A 544 -1.984 -11.017 4.753 1.00 0.28 O ATOM 683 CB PHE A 544 -2.960 -10.282 2.010 1.00 0.23 C ATOM 684 CG PHE A 544 -3.659 -10.599 0.720 1.00 0.25 C ATOM 685 CD1 PHE A 544 -3.616 -11.879 0.191 1.00 0.29 C ATOM 686 CD2 PHE A 544 -4.356 -9.618 0.035 1.00 0.28 C ATOM 687 CE1 PHE A 544 -4.254 -12.175 -0.997 1.00 0.33 C ATOM 688 CE2 PHE A 544 -4.997 -9.907 -1.154 1.00 0.32 C ATOM 689 CZ PHE A 544 -4.961 -11.185 -1.663 1.00 0.33 C ATOM 0 H PHE A 544 -4.848 -8.737 3.013 1.00 0.20 H new ATOM 0 HA PHE A 544 -4.132 -11.591 3.254 1.00 0.22 H new ATOM 0 HB2 PHE A 544 -2.663 -9.233 2.003 1.00 0.23 H new ATOM 0 HB3 PHE A 544 -2.045 -10.872 2.071 1.00 0.23 H new ATOM 0 HD1 PHE A 544 -3.077 -12.655 0.714 1.00 0.29 H new ATOM 0 HD2 PHE A 544 -4.399 -8.616 0.435 1.00 0.28 H new ATOM 0 HE1 PHE A 544 -4.203 -13.173 -1.406 1.00 0.33 H new ATOM 0 HE2 PHE A 544 -5.527 -9.130 -1.684 1.00 0.32 H new ATOM 0 HZ PHE A 544 -5.483 -11.417 -2.580 1.00 0.33 H new ATOM 699 N GLY A 545 -3.362 -9.327 5.311 1.00 0.19 N ATOM 700 CA GLY A 545 -2.630 -9.010 6.524 1.00 0.21 C ATOM 701 C GLY A 545 -3.092 -7.707 7.141 1.00 0.21 C ATOM 702 O GLY A 545 -3.564 -6.819 6.438 1.00 0.44 O ATOM 0 H GLY A 545 -4.177 -8.739 5.139 1.00 0.19 H new ATOM 0 HA2 GLY A 545 -2.756 -9.817 7.245 1.00 0.21 H new ATOM 0 HA3 GLY A 545 -1.565 -8.947 6.299 1.00 0.21 H new ATOM 706 N LYS A 546 -2.959 -7.585 8.453 1.00 0.27 N ATOM 707 CA LYS A 546 -3.415 -6.394 9.155 1.00 0.25 C ATOM 708 C LYS A 546 -2.591 -5.171 8.755 1.00 0.20 C ATOM 709 O LYS A 546 -1.361 -5.213 8.736 1.00 0.24 O ATOM 710 CB LYS A 546 -3.343 -6.603 10.671 1.00 0.35 C ATOM 711 CG LYS A 546 -3.931 -5.451 11.475 1.00 0.41 C ATOM 712 CD LYS A 546 -3.791 -5.686 12.970 1.00 0.92 C ATOM 713 CE LYS A 546 -4.444 -4.571 13.771 1.00 1.60 C ATOM 714 NZ LYS A 546 -4.259 -4.752 15.235 1.00 2.07 N ATOM 0 H LYS A 546 -2.539 -8.295 9.053 1.00 0.27 H new ATOM 0 HA LYS A 546 -4.452 -6.216 8.872 1.00 0.25 H new ATOM 0 HB2 LYS A 546 -3.871 -7.521 10.928 1.00 0.35 H new ATOM 0 HB3 LYS A 546 -2.302 -6.743 10.961 1.00 0.35 H new ATOM 0 HG2 LYS A 546 -3.429 -4.523 11.203 1.00 0.41 H new ATOM 0 HG3 LYS A 546 -4.984 -5.330 11.222 1.00 0.41 H new ATOM 0 HD2 LYS A 546 -4.247 -6.640 13.234 1.00 0.92 H new ATOM 0 HD3 LYS A 546 -2.735 -5.754 13.232 1.00 0.92 H new ATOM 0 HE2 LYS A 546 -4.022 -3.613 13.468 1.00 1.60 H new ATOM 0 HE3 LYS A 546 -5.509 -4.537 13.542 1.00 1.60 H new ATOM 0 HZ1 LYS A 546 -4.720 -3.970 15.742 1.00 2.07 H new ATOM 0 HZ2 LYS A 546 -4.684 -5.654 15.530 1.00 2.07 H new ATOM 0 HZ3 LYS A 546 -3.243 -4.759 15.458 1.00 2.07 H new ATOM 728 N VAL A 547 -3.288 -4.095 8.424 1.00 0.16 N ATOM 729 CA VAL A 547 -2.660 -2.838 8.057 1.00 0.15 C ATOM 730 C VAL A 547 -2.397 -1.983 9.293 1.00 0.18 C ATOM 731 O VAL A 547 -3.326 -1.587 9.998 1.00 0.20 O ATOM 732 CB VAL A 547 -3.559 -2.074 7.058 1.00 0.16 C ATOM 733 CG1 VAL A 547 -3.026 -0.682 6.765 1.00 0.18 C ATOM 734 CG2 VAL A 547 -3.697 -2.868 5.771 1.00 0.14 C ATOM 0 H VAL A 547 -4.307 -4.070 8.403 1.00 0.16 H new ATOM 0 HA VAL A 547 -1.702 -3.053 7.583 1.00 0.15 H new ATOM 0 HB VAL A 547 -4.540 -1.957 7.518 1.00 0.16 H new ATOM 0 HG11 VAL A 547 -3.688 -0.180 6.059 1.00 0.18 H new ATOM 0 HG12 VAL A 547 -2.980 -0.108 7.690 1.00 0.18 H new ATOM 0 HG13 VAL A 547 -2.027 -0.758 6.335 1.00 0.18 H new ATOM 0 HG21 VAL A 547 -4.332 -2.322 5.073 1.00 0.14 H new ATOM 0 HG22 VAL A 547 -2.712 -3.015 5.327 1.00 0.14 H new ATOM 0 HG23 VAL A 547 -4.146 -3.837 5.988 1.00 0.14 H new ATOM 744 N THR A 548 -1.126 -1.733 9.569 1.00 0.20 N ATOM 745 CA THR A 548 -0.737 -0.914 10.706 1.00 0.23 C ATOM 746 C THR A 548 -0.544 0.548 10.313 1.00 0.23 C ATOM 747 O THR A 548 -0.872 1.452 11.081 1.00 0.27 O ATOM 748 CB THR A 548 0.556 -1.455 11.336 1.00 0.27 C ATOM 749 OG1 THR A 548 1.540 -1.664 10.314 1.00 0.26 O ATOM 750 CG2 THR A 548 0.298 -2.761 12.070 1.00 0.31 C ATOM 0 H THR A 548 -0.344 -2.087 9.018 1.00 0.20 H new ATOM 0 HA THR A 548 -1.547 -0.963 11.434 1.00 0.23 H new ATOM 0 HB THR A 548 0.921 -0.722 12.055 1.00 0.27 H new ATOM 0 HG1 THR A 548 2.181 -0.922 10.320 1.00 0.26 H new ATOM 0 HG21 THR A 548 1.229 -3.123 12.507 1.00 0.31 H new ATOM 0 HG22 THR A 548 -0.434 -2.596 12.861 1.00 0.31 H new ATOM 0 HG23 THR A 548 -0.086 -3.502 11.369 1.00 0.31 H new ATOM 758 N ASN A 549 -0.044 0.767 9.104 1.00 0.20 N ATOM 759 CA ASN A 549 0.164 2.118 8.585 1.00 0.21 C ATOM 760 C ASN A 549 -0.155 2.180 7.105 1.00 0.18 C ATOM 761 O ASN A 549 -0.197 1.161 6.420 1.00 0.20 O ATOM 762 CB ASN A 549 1.606 2.617 8.791 1.00 0.26 C ATOM 763 CG ASN A 549 1.931 3.026 10.208 1.00 0.40 C ATOM 764 OD1 ASN A 549 1.058 3.389 10.988 1.00 1.26 O ATOM 765 ND2 ASN A 549 3.208 3.000 10.541 1.00 0.81 N ATOM 0 H ASN A 549 0.227 0.024 8.459 1.00 0.20 H new ATOM 0 HA ASN A 549 -0.510 2.763 9.148 1.00 0.21 H new ATOM 0 HB2 ASN A 549 2.296 1.830 8.486 1.00 0.26 H new ATOM 0 HB3 ASN A 549 1.780 3.467 8.132 1.00 0.26 H new ATOM 0 HD21 ASN A 549 3.497 3.288 11.476 1.00 0.81 H new ATOM 0 HD22 ASN A 549 3.905 2.691 9.864 1.00 0.81 H new ATOM 772 N TYR A 550 -0.393 3.389 6.631 1.00 0.17 N ATOM 773 CA TYR A 550 -0.710 3.632 5.238 1.00 0.17 C ATOM 774 C TYR A 550 -0.470 5.101 4.920 1.00 0.17 C ATOM 775 O TYR A 550 -0.593 5.955 5.800 1.00 0.17 O ATOM 776 CB TYR A 550 -2.166 3.241 4.964 1.00 0.17 C ATOM 777 CG TYR A 550 -3.166 3.944 5.858 1.00 0.17 C ATOM 778 CD1 TYR A 550 -4.072 4.846 5.332 1.00 0.19 C ATOM 779 CD2 TYR A 550 -3.196 3.712 7.232 1.00 0.19 C ATOM 780 CE1 TYR A 550 -4.978 5.496 6.145 1.00 0.22 C ATOM 781 CE2 TYR A 550 -4.101 4.359 8.047 1.00 0.24 C ATOM 782 CZ TYR A 550 -4.989 5.251 7.494 1.00 0.25 C ATOM 783 OH TYR A 550 -5.899 5.901 8.292 1.00 0.31 O ATOM 0 H TYR A 550 -0.372 4.232 7.204 1.00 0.17 H new ATOM 0 HA TYR A 550 -0.069 3.026 4.597 1.00 0.17 H new ATOM 0 HB2 TYR A 550 -2.403 3.464 3.924 1.00 0.17 H new ATOM 0 HB3 TYR A 550 -2.273 2.164 5.091 1.00 0.17 H new ATOM 0 HD1 TYR A 550 -4.071 5.045 4.270 1.00 0.19 H new ATOM 0 HD2 TYR A 550 -2.497 3.012 7.667 1.00 0.19 H new ATOM 0 HE1 TYR A 550 -5.679 6.198 5.718 1.00 0.22 H new ATOM 0 HE2 TYR A 550 -4.112 4.167 9.110 1.00 0.24 H new ATOM 0 HH TYR A 550 -5.779 5.618 9.223 1.00 0.31 H new ATOM 793 N ILE A 551 -0.130 5.397 3.675 1.00 0.18 N ATOM 794 CA ILE A 551 0.210 6.751 3.263 1.00 0.16 C ATOM 795 C ILE A 551 -0.298 6.963 1.855 1.00 0.17 C ATOM 796 O ILE A 551 0.050 6.201 0.962 1.00 0.20 O ATOM 797 CB ILE A 551 1.740 6.977 3.262 1.00 0.18 C ATOM 798 CG1 ILE A 551 2.335 6.696 4.647 1.00 0.19 C ATOM 799 CG2 ILE A 551 2.073 8.393 2.814 1.00 0.22 C ATOM 800 CD1 ILE A 551 3.847 6.727 4.683 1.00 0.20 C ATOM 0 H ILE A 551 -0.082 4.709 2.924 1.00 0.18 H new ATOM 0 HA ILE A 551 -0.245 7.449 3.966 1.00 0.16 H new ATOM 0 HB ILE A 551 2.185 6.278 2.553 1.00 0.18 H new ATOM 0 HG12 ILE A 551 1.950 7.431 5.353 1.00 0.19 H new ATOM 0 HG13 ILE A 551 1.993 5.718 4.987 1.00 0.19 H new ATOM 0 HG21 ILE A 551 3.154 8.532 2.820 1.00 0.22 H new ATOM 0 HG22 ILE A 551 1.692 8.555 1.806 1.00 0.22 H new ATOM 0 HG23 ILE A 551 1.612 9.108 3.495 1.00 0.22 H new ATOM 0 HD11 ILE A 551 4.191 6.519 5.696 1.00 0.20 H new ATOM 0 HD12 ILE A 551 4.243 5.972 4.003 1.00 0.20 H new ATOM 0 HD13 ILE A 551 4.198 7.712 4.375 1.00 0.20 H new ATOM 812 N LEU A 552 -1.113 7.973 1.638 1.00 0.16 N ATOM 813 CA LEU A 552 -1.670 8.189 0.319 1.00 0.19 C ATOM 814 C LEU A 552 -1.024 9.390 -0.350 1.00 0.19 C ATOM 815 O LEU A 552 -1.219 10.524 0.090 1.00 0.26 O ATOM 816 CB LEU A 552 -3.181 8.368 0.396 1.00 0.27 C ATOM 817 CG LEU A 552 -3.968 7.129 0.768 1.00 0.30 C ATOM 818 CD1 LEU A 552 -5.435 7.427 0.617 1.00 0.43 C ATOM 819 CD2 LEU A 552 -3.567 5.940 -0.088 1.00 0.42 C ATOM 0 H LEU A 552 -1.402 8.649 2.346 1.00 0.16 H new ATOM 0 HA LEU A 552 -1.459 7.307 -0.286 1.00 0.19 H new ATOM 0 HB2 LEU A 552 -3.400 9.148 1.125 1.00 0.27 H new ATOM 0 HB3 LEU A 552 -3.536 8.726 -0.570 1.00 0.27 H new ATOM 0 HG LEU A 552 -3.750 6.863 1.803 1.00 0.30 H new ATOM 0 HD11 LEU A 552 -6.015 6.543 0.882 1.00 0.43 H new ATOM 0 HD12 LEU A 552 -5.709 8.251 1.276 1.00 0.43 H new ATOM 0 HD13 LEU A 552 -5.646 7.703 -0.416 1.00 0.43 H new ATOM 0 HD21 LEU A 552 -4.151 5.067 0.205 1.00 0.42 H new ATOM 0 HD22 LEU A 552 -3.755 6.167 -1.137 1.00 0.42 H new ATOM 0 HD23 LEU A 552 -2.507 5.731 0.053 1.00 0.42 H new ATOM 831 N MET A 553 -0.303 9.158 -1.440 1.00 0.18 N ATOM 832 CA MET A 553 0.410 10.242 -2.097 1.00 0.26 C ATOM 833 C MET A 553 -0.352 10.623 -3.355 1.00 0.26 C ATOM 834 O MET A 553 -0.015 10.205 -4.464 1.00 0.25 O ATOM 835 CB MET A 553 1.826 9.797 -2.483 1.00 0.35 C ATOM 836 CG MET A 553 2.565 9.050 -1.384 1.00 0.56 C ATOM 837 SD MET A 553 3.837 7.948 -2.041 1.00 1.03 S ATOM 838 CE MET A 553 4.925 9.114 -2.851 1.00 0.80 C ATOM 0 H MET A 553 -0.198 8.244 -1.881 1.00 0.18 H new ATOM 0 HA MET A 553 0.484 11.091 -1.418 1.00 0.26 H new ATOM 0 HB2 MET A 553 1.767 9.159 -3.364 1.00 0.35 H new ATOM 0 HB3 MET A 553 2.407 10.675 -2.764 1.00 0.35 H new ATOM 0 HG2 MET A 553 3.025 9.768 -0.705 1.00 0.56 H new ATOM 0 HG3 MET A 553 1.852 8.470 -0.799 1.00 0.56 H new ATOM 0 HE1 MET A 553 4.959 8.898 -3.919 1.00 0.80 H new ATOM 0 HE2 MET A 553 4.552 10.127 -2.697 1.00 0.80 H new ATOM 0 HE3 MET A 553 5.927 9.029 -2.431 1.00 0.80 H new ATOM 848 N LYS A 554 -1.386 11.420 -3.154 1.00 0.32 N ATOM 849 CA LYS A 554 -2.196 11.936 -4.252 1.00 0.37 C ATOM 850 C LYS A 554 -1.359 12.646 -5.313 1.00 0.38 C ATOM 851 O LYS A 554 -1.709 12.634 -6.493 1.00 0.40 O ATOM 852 CB LYS A 554 -3.272 12.891 -3.722 1.00 0.47 C ATOM 853 CG LYS A 554 -3.682 12.664 -2.267 1.00 0.43 C ATOM 854 CD LYS A 554 -4.189 11.251 -1.998 1.00 0.37 C ATOM 855 CE LYS A 554 -4.826 11.151 -0.616 1.00 0.39 C ATOM 856 NZ LYS A 554 -3.959 11.733 0.447 1.00 1.03 N ATOM 0 H LYS A 554 -1.690 11.729 -2.231 1.00 0.32 H new ATOM 0 HA LYS A 554 -2.667 11.075 -4.725 1.00 0.37 H new ATOM 0 HB2 LYS A 554 -2.911 13.914 -3.826 1.00 0.47 H new ATOM 0 HB3 LYS A 554 -4.158 12.800 -4.351 1.00 0.47 H new ATOM 0 HG2 LYS A 554 -2.828 12.866 -1.620 1.00 0.43 H new ATOM 0 HG3 LYS A 554 -4.460 13.379 -2.000 1.00 0.43 H new ATOM 0 HD2 LYS A 554 -4.918 10.972 -2.759 1.00 0.37 H new ATOM 0 HD3 LYS A 554 -3.363 10.544 -2.073 1.00 0.37 H new ATOM 0 HE2 LYS A 554 -5.786 11.667 -0.622 1.00 0.39 H new ATOM 0 HE3 LYS A 554 -5.028 10.105 -0.386 1.00 0.39 H new ATOM 0 HZ1 LYS A 554 -4.339 11.480 1.382 1.00 1.03 H new ATOM 0 HZ2 LYS A 554 -2.994 11.357 0.352 1.00 1.03 H new ATOM 0 HZ3 LYS A 554 -3.939 12.768 0.350 1.00 1.03 H new ATOM 870 N SER A 555 -0.240 13.229 -4.906 1.00 0.40 N ATOM 871 CA SER A 555 0.541 14.074 -5.789 1.00 0.44 C ATOM 872 C SER A 555 1.208 13.264 -6.902 1.00 0.38 C ATOM 873 O SER A 555 1.177 13.656 -8.068 1.00 0.38 O ATOM 874 CB SER A 555 1.593 14.822 -4.970 1.00 0.51 C ATOM 875 OG SER A 555 2.422 13.916 -4.258 1.00 0.50 O ATOM 0 H SER A 555 0.145 13.130 -3.967 1.00 0.40 H new ATOM 0 HA SER A 555 -0.130 14.788 -6.267 1.00 0.44 H new ATOM 0 HB2 SER A 555 2.204 15.437 -5.631 1.00 0.51 H new ATOM 0 HB3 SER A 555 1.101 15.498 -4.270 1.00 0.51 H new ATOM 0 HG SER A 555 3.088 14.418 -3.743 1.00 0.50 H new ATOM 881 N THR A 556 1.806 12.136 -6.541 1.00 0.34 N ATOM 882 CA THR A 556 2.544 11.324 -7.497 1.00 0.32 C ATOM 883 C THR A 556 1.731 10.134 -7.997 1.00 0.27 C ATOM 884 O THR A 556 2.251 9.286 -8.730 1.00 0.28 O ATOM 885 CB THR A 556 3.851 10.806 -6.873 1.00 0.36 C ATOM 886 OG1 THR A 556 3.564 10.107 -5.657 1.00 0.34 O ATOM 887 CG2 THR A 556 4.813 11.944 -6.584 1.00 0.45 C ATOM 0 H THR A 556 1.794 11.763 -5.592 1.00 0.34 H new ATOM 0 HA THR A 556 2.764 11.970 -8.347 1.00 0.32 H new ATOM 0 HB THR A 556 4.321 10.131 -7.588 1.00 0.36 H new ATOM 0 HG1 THR A 556 3.397 10.753 -4.940 1.00 0.34 H new ATOM 0 HG21 THR A 556 5.727 11.545 -6.144 1.00 0.45 H new ATOM 0 HG22 THR A 556 5.054 12.462 -7.513 1.00 0.45 H new ATOM 0 HG23 THR A 556 4.350 12.644 -5.888 1.00 0.45 H new ATOM 895 N ASN A 557 0.453 10.087 -7.614 1.00 0.26 N ATOM 896 CA ASN A 557 -0.427 8.968 -7.960 1.00 0.26 C ATOM 897 C ASN A 557 0.128 7.665 -7.388 1.00 0.21 C ATOM 898 O ASN A 557 0.118 6.616 -8.042 1.00 0.25 O ATOM 899 CB ASN A 557 -0.591 8.852 -9.483 1.00 0.31 C ATOM 900 CG ASN A 557 -1.342 10.023 -10.088 1.00 0.38 C ATOM 901 OD1 ASN A 557 -0.753 11.046 -10.439 1.00 1.09 O ATOM 902 ND2 ASN A 557 -2.650 9.875 -10.230 1.00 1.28 N ATOM 0 H ASN A 557 0.002 10.816 -7.061 1.00 0.26 H new ATOM 0 HA ASN A 557 -1.408 9.157 -7.524 1.00 0.26 H new ATOM 0 HB2 ASN A 557 0.394 8.781 -9.945 1.00 0.31 H new ATOM 0 HB3 ASN A 557 -1.120 7.928 -9.717 1.00 0.31 H new ATOM 0 HD21 ASN A 557 -3.206 10.624 -10.643 1.00 1.28 H new ATOM 0 HD22 ASN A 557 -3.102 9.012 -9.927 1.00 1.28 H new ATOM 909 N GLN A 558 0.601 7.747 -6.152 1.00 0.17 N ATOM 910 CA GLN A 558 1.261 6.629 -5.489 1.00 0.17 C ATOM 911 C GLN A 558 0.825 6.555 -4.033 1.00 0.16 C ATOM 912 O GLN A 558 0.185 7.475 -3.536 1.00 0.20 O ATOM 913 CB GLN A 558 2.778 6.800 -5.572 1.00 0.22 C ATOM 914 CG GLN A 558 3.314 6.832 -6.994 1.00 0.29 C ATOM 915 CD GLN A 558 4.802 7.101 -7.044 1.00 0.41 C ATOM 916 OE1 GLN A 558 5.539 6.728 -6.137 1.00 0.78 O ATOM 917 NE2 GLN A 558 5.251 7.755 -8.099 1.00 0.84 N ATOM 0 H GLN A 558 0.538 8.589 -5.580 1.00 0.17 H new ATOM 0 HA GLN A 558 0.979 5.702 -5.989 1.00 0.17 H new ATOM 0 HB2 GLN A 558 3.058 7.724 -5.067 1.00 0.22 H new ATOM 0 HB3 GLN A 558 3.257 5.983 -5.031 1.00 0.22 H new ATOM 0 HG2 GLN A 558 3.103 5.879 -7.480 1.00 0.29 H new ATOM 0 HG3 GLN A 558 2.789 7.602 -7.560 1.00 0.29 H new ATOM 0 HE21 GLN A 558 4.604 8.047 -8.831 1.00 0.84 H new ATOM 0 HE22 GLN A 558 6.245 7.968 -8.182 1.00 0.84 H new ATOM 926 N ALA A 559 1.124 5.452 -3.357 1.00 0.15 N ATOM 927 CA ALA A 559 0.792 5.317 -1.947 1.00 0.14 C ATOM 928 C ALA A 559 1.652 4.248 -1.267 1.00 0.14 C ATOM 929 O ALA A 559 2.338 3.473 -1.929 1.00 0.16 O ATOM 930 CB ALA A 559 -0.686 5.013 -1.784 1.00 0.15 C ATOM 0 H ALA A 559 1.594 4.642 -3.762 1.00 0.15 H new ATOM 0 HA ALA A 559 1.009 6.265 -1.455 1.00 0.14 H new ATOM 0 HB1 ALA A 559 -0.922 4.914 -0.725 1.00 0.15 H new ATOM 0 HB2 ALA A 559 -1.274 5.825 -2.213 1.00 0.15 H new ATOM 0 HB3 ALA A 559 -0.925 4.082 -2.297 1.00 0.15 H new ATOM 936 N PHE A 560 1.640 4.244 0.056 1.00 0.14 N ATOM 937 CA PHE A 560 2.335 3.219 0.837 1.00 0.15 C ATOM 938 C PHE A 560 1.366 2.440 1.710 1.00 0.14 C ATOM 939 O PHE A 560 0.339 2.966 2.144 1.00 0.16 O ATOM 940 CB PHE A 560 3.421 3.813 1.736 1.00 0.16 C ATOM 941 CG PHE A 560 4.616 4.360 1.014 1.00 0.20 C ATOM 942 CD1 PHE A 560 5.747 3.589 0.838 1.00 0.26 C ATOM 943 CD2 PHE A 560 4.591 5.638 0.483 1.00 0.29 C ATOM 944 CE1 PHE A 560 6.835 4.081 0.145 1.00 0.30 C ATOM 945 CE2 PHE A 560 5.678 6.138 -0.206 1.00 0.35 C ATOM 946 CZ PHE A 560 6.853 5.383 -0.268 1.00 0.30 C ATOM 0 H PHE A 560 1.155 4.942 0.620 1.00 0.14 H new ATOM 0 HA PHE A 560 2.801 2.554 0.110 1.00 0.15 H new ATOM 0 HB2 PHE A 560 2.980 4.611 2.333 1.00 0.16 H new ATOM 0 HB3 PHE A 560 3.757 3.043 2.431 1.00 0.16 H new ATOM 0 HD1 PHE A 560 5.781 2.590 1.247 1.00 0.26 H new ATOM 0 HD2 PHE A 560 3.711 6.251 0.609 1.00 0.29 H new ATOM 0 HE1 PHE A 560 7.673 3.435 -0.071 1.00 0.30 H new ATOM 0 HE2 PHE A 560 5.621 7.101 -0.691 1.00 0.35 H new ATOM 0 HZ PHE A 560 7.766 5.825 -0.639 1.00 0.30 H new ATOM 956 N LEU A 561 1.719 1.191 1.970 1.00 0.14 N ATOM 957 CA LEU A 561 0.906 0.314 2.791 1.00 0.14 C ATOM 958 C LEU A 561 1.800 -0.477 3.745 1.00 0.16 C ATOM 959 O LEU A 561 2.674 -1.227 3.313 1.00 0.18 O ATOM 960 CB LEU A 561 0.111 -0.631 1.879 1.00 0.15 C ATOM 961 CG LEU A 561 -0.869 -1.580 2.568 1.00 0.17 C ATOM 962 CD1 LEU A 561 -1.961 -0.797 3.279 1.00 0.19 C ATOM 963 CD2 LEU A 561 -1.473 -2.540 1.548 1.00 0.20 C ATOM 0 H LEU A 561 2.574 0.760 1.618 1.00 0.14 H new ATOM 0 HA LEU A 561 0.208 0.902 3.387 1.00 0.14 H new ATOM 0 HB2 LEU A 561 -0.446 -0.026 1.164 1.00 0.15 H new ATOM 0 HB3 LEU A 561 0.820 -1.229 1.307 1.00 0.15 H new ATOM 0 HG LEU A 561 -0.327 -2.160 3.315 1.00 0.17 H new ATOM 0 HD11 LEU A 561 -2.649 -1.490 3.763 1.00 0.19 H new ATOM 0 HD12 LEU A 561 -1.512 -0.147 4.030 1.00 0.19 H new ATOM 0 HD13 LEU A 561 -2.506 -0.192 2.554 1.00 0.19 H new ATOM 0 HD21 LEU A 561 -2.170 -3.212 2.049 1.00 0.20 H new ATOM 0 HD22 LEU A 561 -2.003 -1.972 0.783 1.00 0.20 H new ATOM 0 HD23 LEU A 561 -0.679 -3.123 1.082 1.00 0.20 H new ATOM 975 N GLU A 562 1.591 -0.291 5.040 1.00 0.17 N ATOM 976 CA GLU A 562 2.361 -1.012 6.041 1.00 0.20 C ATOM 977 C GLU A 562 1.561 -2.184 6.573 1.00 0.18 C ATOM 978 O GLU A 562 0.436 -2.029 7.054 1.00 0.18 O ATOM 979 CB GLU A 562 2.771 -0.105 7.198 1.00 0.27 C ATOM 980 CG GLU A 562 3.846 -0.714 8.087 1.00 0.57 C ATOM 981 CD GLU A 562 4.186 0.152 9.284 1.00 1.17 C ATOM 982 OE1 GLU A 562 4.949 1.127 9.122 1.00 2.09 O ATOM 983 OE2 GLU A 562 3.704 -0.148 10.396 1.00 1.21 O ATOM 0 H GLU A 562 0.896 0.351 5.421 1.00 0.17 H new ATOM 0 HA GLU A 562 3.268 -1.376 5.557 1.00 0.20 H new ATOM 0 HB2 GLU A 562 3.133 0.842 6.798 1.00 0.27 H new ATOM 0 HB3 GLU A 562 1.893 0.120 7.803 1.00 0.27 H new ATOM 0 HG2 GLU A 562 3.511 -1.691 8.436 1.00 0.57 H new ATOM 0 HG3 GLU A 562 4.748 -0.878 7.497 1.00 0.57 H new ATOM 990 N MET A 563 2.159 -3.352 6.482 1.00 0.25 N ATOM 991 CA MET A 563 1.504 -4.586 6.855 1.00 0.23 C ATOM 992 C MET A 563 2.156 -5.149 8.107 1.00 0.27 C ATOM 993 O MET A 563 3.363 -4.992 8.312 1.00 0.39 O ATOM 994 CB MET A 563 1.617 -5.562 5.689 1.00 0.25 C ATOM 995 CG MET A 563 1.153 -4.950 4.379 1.00 0.25 C ATOM 996 SD MET A 563 1.825 -5.789 2.938 1.00 0.31 S ATOM 997 CE MET A 563 1.216 -4.740 1.619 1.00 0.25 C ATOM 0 H MET A 563 3.115 -3.473 6.147 1.00 0.25 H new ATOM 0 HA MET A 563 0.450 -4.413 7.074 1.00 0.23 H new ATOM 0 HB2 MET A 563 2.653 -5.887 5.589 1.00 0.25 H new ATOM 0 HB3 MET A 563 1.023 -6.451 5.903 1.00 0.25 H new ATOM 0 HG2 MET A 563 0.064 -4.980 4.335 1.00 0.25 H new ATOM 0 HG3 MET A 563 1.445 -3.900 4.351 1.00 0.25 H new ATOM 0 HE1 MET A 563 1.380 -5.230 0.659 1.00 0.25 H new ATOM 0 HE2 MET A 563 0.150 -4.563 1.758 1.00 0.25 H new ATOM 0 HE3 MET A 563 1.747 -3.788 1.636 1.00 0.25 H new ATOM 1007 N ALA A 564 1.348 -5.799 8.937 1.00 0.28 N ATOM 1008 CA ALA A 564 1.770 -6.228 10.266 1.00 0.33 C ATOM 1009 C ALA A 564 2.845 -7.305 10.218 1.00 0.27 C ATOM 1010 O ALA A 564 3.591 -7.479 11.179 1.00 0.40 O ATOM 1011 CB ALA A 564 0.568 -6.725 11.056 1.00 0.50 C ATOM 0 H ALA A 564 0.384 -6.043 8.709 1.00 0.28 H new ATOM 0 HA ALA A 564 2.207 -5.361 10.762 1.00 0.33 H new ATOM 0 HB1 ALA A 564 0.891 -7.044 12.047 1.00 0.50 H new ATOM 0 HB2 ALA A 564 -0.161 -5.921 11.153 1.00 0.50 H new ATOM 0 HB3 ALA A 564 0.113 -7.567 10.535 1.00 0.50 H new ATOM 1017 N TYR A 565 2.923 -8.026 9.110 1.00 0.27 N ATOM 1018 CA TYR A 565 3.913 -9.084 8.959 1.00 0.37 C ATOM 1019 C TYR A 565 4.433 -9.136 7.529 1.00 0.33 C ATOM 1020 O TYR A 565 3.767 -8.685 6.594 1.00 0.29 O ATOM 1021 CB TYR A 565 3.316 -10.437 9.350 1.00 0.55 C ATOM 1022 CG TYR A 565 3.071 -10.598 10.835 1.00 0.68 C ATOM 1023 CD1 TYR A 565 1.834 -10.302 11.394 1.00 0.75 C ATOM 1024 CD2 TYR A 565 4.081 -11.048 11.677 1.00 0.86 C ATOM 1025 CE1 TYR A 565 1.612 -10.447 12.749 1.00 0.90 C ATOM 1026 CE2 TYR A 565 3.866 -11.198 13.032 1.00 1.00 C ATOM 1027 CZ TYR A 565 2.631 -10.895 13.563 1.00 0.98 C ATOM 1028 OH TYR A 565 2.413 -11.042 14.914 1.00 1.15 O ATOM 0 H TYR A 565 2.314 -7.899 8.302 1.00 0.27 H new ATOM 0 HA TYR A 565 4.748 -8.863 9.624 1.00 0.37 H new ATOM 0 HB2 TYR A 565 2.373 -10.573 8.820 1.00 0.55 H new ATOM 0 HB3 TYR A 565 3.987 -11.228 9.015 1.00 0.55 H new ATOM 0 HD1 TYR A 565 1.033 -9.953 10.759 1.00 0.75 H new ATOM 0 HD2 TYR A 565 5.051 -11.284 11.264 1.00 0.86 H new ATOM 0 HE1 TYR A 565 0.646 -10.211 13.169 1.00 0.90 H new ATOM 0 HE2 TYR A 565 4.661 -11.551 13.672 1.00 1.00 H new ATOM 0 HH TYR A 565 3.231 -11.367 15.344 1.00 1.15 H new ATOM 1038 N THR A 566 5.630 -9.693 7.375 1.00 0.39 N ATOM 1039 CA THR A 566 6.280 -9.792 6.074 1.00 0.40 C ATOM 1040 C THR A 566 5.526 -10.769 5.169 1.00 0.36 C ATOM 1041 O THR A 566 5.551 -10.642 3.942 1.00 0.35 O ATOM 1042 CB THR A 566 7.767 -10.215 6.214 1.00 0.51 C ATOM 1043 OG1 THR A 566 8.456 -10.053 4.968 1.00 0.57 O ATOM 1044 CG2 THR A 566 7.896 -11.657 6.678 1.00 0.57 C ATOM 0 H THR A 566 6.173 -10.086 8.144 1.00 0.39 H new ATOM 0 HA THR A 566 6.257 -8.804 5.615 1.00 0.40 H new ATOM 0 HB THR A 566 8.218 -9.568 6.966 1.00 0.51 H new ATOM 0 HG1 THR A 566 9.392 -10.323 5.074 1.00 0.57 H new ATOM 0 HG21 THR A 566 8.951 -11.918 6.765 1.00 0.57 H new ATOM 0 HG22 THR A 566 7.413 -11.772 7.648 1.00 0.57 H new ATOM 0 HG23 THR A 566 7.417 -12.316 5.954 1.00 0.57 H new ATOM 1052 N GLU A 567 4.844 -11.731 5.792 1.00 0.38 N ATOM 1053 CA GLU A 567 4.015 -12.697 5.073 1.00 0.40 C ATOM 1054 C GLU A 567 2.973 -11.989 4.212 1.00 0.31 C ATOM 1055 O GLU A 567 2.614 -12.463 3.134 1.00 0.32 O ATOM 1056 CB GLU A 567 3.308 -13.634 6.060 1.00 0.49 C ATOM 1057 CG GLU A 567 2.483 -12.899 7.108 1.00 0.55 C ATOM 1058 CD GLU A 567 1.685 -13.829 7.993 1.00 0.71 C ATOM 1059 OE1 GLU A 567 2.205 -14.248 9.054 1.00 0.89 O ATOM 1060 OE2 GLU A 567 0.528 -14.141 7.644 1.00 0.84 O ATOM 0 H GLU A 567 4.851 -11.862 6.804 1.00 0.38 H new ATOM 0 HA GLU A 567 4.669 -13.280 4.425 1.00 0.40 H new ATOM 0 HB2 GLU A 567 2.657 -14.310 5.505 1.00 0.49 H new ATOM 0 HB3 GLU A 567 4.054 -14.250 6.562 1.00 0.49 H new ATOM 0 HG2 GLU A 567 3.147 -12.297 7.729 1.00 0.55 H new ATOM 0 HG3 GLU A 567 1.802 -12.210 6.608 1.00 0.55 H new ATOM 1067 N ALA A 568 2.509 -10.845 4.698 1.00 0.26 N ATOM 1068 CA ALA A 568 1.462 -10.095 4.031 1.00 0.24 C ATOM 1069 C ALA A 568 1.996 -9.409 2.781 1.00 0.21 C ATOM 1070 O ALA A 568 1.372 -9.458 1.724 1.00 0.22 O ATOM 1071 CB ALA A 568 0.858 -9.078 4.985 1.00 0.25 C ATOM 0 H ALA A 568 2.847 -10.416 5.560 1.00 0.26 H new ATOM 0 HA ALA A 568 0.682 -10.791 3.723 1.00 0.24 H new ATOM 0 HB1 ALA A 568 0.073 -8.521 4.474 1.00 0.25 H new ATOM 0 HB2 ALA A 568 0.434 -9.594 5.846 1.00 0.25 H new ATOM 0 HB3 ALA A 568 1.633 -8.389 5.320 1.00 0.25 H new ATOM 1077 N ALA A 569 3.174 -8.803 2.903 1.00 0.19 N ATOM 1078 CA ALA A 569 3.747 -8.017 1.819 1.00 0.21 C ATOM 1079 C ALA A 569 4.059 -8.885 0.613 1.00 0.22 C ATOM 1080 O ALA A 569 3.715 -8.541 -0.515 1.00 0.24 O ATOM 1081 CB ALA A 569 5.006 -7.311 2.297 1.00 0.23 C ATOM 0 H ALA A 569 3.750 -8.843 3.744 1.00 0.19 H new ATOM 0 HA ALA A 569 3.011 -7.273 1.515 1.00 0.21 H new ATOM 0 HB1 ALA A 569 5.428 -6.726 1.480 1.00 0.23 H new ATOM 0 HB2 ALA A 569 4.759 -6.649 3.127 1.00 0.23 H new ATOM 0 HB3 ALA A 569 5.735 -8.051 2.627 1.00 0.23 H new ATOM 1087 N GLN A 570 4.674 -10.031 0.860 1.00 0.24 N ATOM 1088 CA GLN A 570 5.042 -10.939 -0.216 1.00 0.28 C ATOM 1089 C GLN A 570 3.800 -11.535 -0.868 1.00 0.27 C ATOM 1090 O GLN A 570 3.760 -11.731 -2.082 1.00 0.29 O ATOM 1091 CB GLN A 570 5.966 -12.042 0.305 1.00 0.34 C ATOM 1092 CG GLN A 570 5.395 -12.816 1.480 1.00 0.38 C ATOM 1093 CD GLN A 570 6.367 -13.834 2.034 1.00 0.51 C ATOM 1094 OE1 GLN A 570 7.583 -13.651 1.967 1.00 1.24 O ATOM 1095 NE2 GLN A 570 5.840 -14.913 2.585 1.00 1.04 N ATOM 0 H GLN A 570 4.928 -10.354 1.793 1.00 0.24 H new ATOM 0 HA GLN A 570 5.582 -10.372 -0.974 1.00 0.28 H new ATOM 0 HB2 GLN A 570 6.180 -12.737 -0.507 1.00 0.34 H new ATOM 0 HB3 GLN A 570 6.916 -11.597 0.602 1.00 0.34 H new ATOM 0 HG2 GLN A 570 5.117 -12.118 2.269 1.00 0.38 H new ATOM 0 HG3 GLN A 570 4.482 -13.323 1.167 1.00 0.38 H new ATOM 0 HE21 GLN A 570 4.827 -15.025 2.620 1.00 1.04 H new ATOM 0 HE22 GLN A 570 6.446 -15.634 2.976 1.00 1.04 H new ATOM 1104 N ALA A 571 2.780 -11.800 -0.057 1.00 0.26 N ATOM 1105 CA ALA A 571 1.536 -12.368 -0.553 1.00 0.27 C ATOM 1106 C ALA A 571 0.838 -11.405 -1.503 1.00 0.25 C ATOM 1107 O ALA A 571 0.383 -11.801 -2.574 1.00 0.27 O ATOM 1108 CB ALA A 571 0.618 -12.721 0.605 1.00 0.31 C ATOM 0 H ALA A 571 2.793 -11.629 0.948 1.00 0.26 H new ATOM 0 HA ALA A 571 1.775 -13.278 -1.104 1.00 0.27 H new ATOM 0 HB1 ALA A 571 -0.309 -13.145 0.218 1.00 0.31 H new ATOM 0 HB2 ALA A 571 1.109 -13.450 1.250 1.00 0.31 H new ATOM 0 HB3 ALA A 571 0.394 -11.822 1.179 1.00 0.31 H new ATOM 1114 N MET A 572 0.767 -10.137 -1.111 1.00 0.25 N ATOM 1115 CA MET A 572 0.078 -9.137 -1.915 1.00 0.28 C ATOM 1116 C MET A 572 0.833 -8.857 -3.203 1.00 0.24 C ATOM 1117 O MET A 572 0.229 -8.780 -4.269 1.00 0.24 O ATOM 1118 CB MET A 572 -0.117 -7.835 -1.141 1.00 0.37 C ATOM 1119 CG MET A 572 -0.812 -8.025 0.190 1.00 0.47 C ATOM 1120 SD MET A 572 -1.352 -6.477 0.922 1.00 0.36 S ATOM 1121 CE MET A 572 -1.348 -6.930 2.654 1.00 0.33 C ATOM 0 H MET A 572 1.176 -9.780 -0.247 1.00 0.25 H new ATOM 0 HA MET A 572 -0.903 -9.545 -2.161 1.00 0.28 H new ATOM 0 HB2 MET A 572 0.855 -7.372 -0.972 1.00 0.37 H new ATOM 0 HB3 MET A 572 -0.698 -7.142 -1.750 1.00 0.37 H new ATOM 0 HG2 MET A 572 -1.675 -8.677 0.054 1.00 0.47 H new ATOM 0 HG3 MET A 572 -0.135 -8.531 0.879 1.00 0.47 H new ATOM 0 HE1 MET A 572 -1.451 -6.033 3.265 1.00 0.33 H new ATOM 0 HE2 MET A 572 -2.180 -7.604 2.856 1.00 0.33 H new ATOM 0 HE3 MET A 572 -0.410 -7.429 2.897 1.00 0.33 H new ATOM 1131 N VAL A 573 2.154 -8.727 -3.113 1.00 0.24 N ATOM 1132 CA VAL A 573 2.960 -8.434 -4.291 1.00 0.27 C ATOM 1133 C VAL A 573 2.781 -9.522 -5.343 1.00 0.25 C ATOM 1134 O VAL A 573 2.506 -9.231 -6.502 1.00 0.28 O ATOM 1135 CB VAL A 573 4.462 -8.295 -3.939 1.00 0.31 C ATOM 1136 CG1 VAL A 573 5.303 -8.108 -5.195 1.00 0.34 C ATOM 1137 CG2 VAL A 573 4.681 -7.131 -2.983 1.00 0.32 C ATOM 0 H VAL A 573 2.683 -8.819 -2.246 1.00 0.24 H new ATOM 0 HA VAL A 573 2.614 -7.480 -4.690 1.00 0.27 H new ATOM 0 HB VAL A 573 4.778 -9.216 -3.450 1.00 0.31 H new ATOM 0 HG11 VAL A 573 6.353 -8.013 -4.919 1.00 0.34 H new ATOM 0 HG12 VAL A 573 5.176 -8.970 -5.849 1.00 0.34 H new ATOM 0 HG13 VAL A 573 4.982 -7.206 -5.717 1.00 0.34 H new ATOM 0 HG21 VAL A 573 5.742 -7.049 -2.747 1.00 0.32 H new ATOM 0 HG22 VAL A 573 4.341 -6.207 -3.451 1.00 0.32 H new ATOM 0 HG23 VAL A 573 4.117 -7.302 -2.066 1.00 0.32 H new ATOM 1147 N GLN A 574 2.880 -10.776 -4.924 1.00 0.23 N ATOM 1148 CA GLN A 574 2.719 -11.895 -5.843 1.00 0.25 C ATOM 1149 C GLN A 574 1.287 -11.974 -6.364 1.00 0.23 C ATOM 1150 O GLN A 574 1.056 -12.301 -7.528 1.00 0.26 O ATOM 1151 CB GLN A 574 3.110 -13.210 -5.172 1.00 0.28 C ATOM 1152 CG GLN A 574 4.582 -13.282 -4.801 1.00 0.33 C ATOM 1153 CD GLN A 574 5.000 -14.648 -4.292 1.00 1.30 C ATOM 1154 OE1 GLN A 574 5.899 -14.764 -3.459 1.00 2.04 O ATOM 1155 NE2 GLN A 574 4.368 -15.696 -4.802 1.00 2.09 N ATOM 0 H GLN A 574 3.070 -11.044 -3.958 1.00 0.23 H new ATOM 0 HA GLN A 574 3.384 -11.727 -6.690 1.00 0.25 H new ATOM 0 HB2 GLN A 574 2.509 -13.344 -4.273 1.00 0.28 H new ATOM 0 HB3 GLN A 574 2.870 -14.036 -5.841 1.00 0.28 H new ATOM 0 HG2 GLN A 574 5.184 -13.026 -5.673 1.00 0.33 H new ATOM 0 HG3 GLN A 574 4.795 -12.535 -4.036 1.00 0.33 H new ATOM 0 HE21 GLN A 574 3.628 -15.560 -5.491 1.00 2.09 H new ATOM 0 HE22 GLN A 574 4.622 -16.638 -4.506 1.00 2.09 H new ATOM 1164 N TYR A 575 0.330 -11.677 -5.497 1.00 0.20 N ATOM 1165 CA TYR A 575 -1.075 -11.744 -5.873 1.00 0.20 C ATOM 1166 C TYR A 575 -1.424 -10.661 -6.892 1.00 0.20 C ATOM 1167 O TYR A 575 -1.956 -10.957 -7.954 1.00 0.22 O ATOM 1168 CB TYR A 575 -1.972 -11.614 -4.639 1.00 0.20 C ATOM 1169 CG TYR A 575 -3.448 -11.548 -4.963 1.00 0.22 C ATOM 1170 CD1 TYR A 575 -4.128 -10.337 -4.967 1.00 0.26 C ATOM 1171 CD2 TYR A 575 -4.161 -12.701 -5.264 1.00 0.33 C ATOM 1172 CE1 TYR A 575 -5.478 -10.279 -5.260 1.00 0.34 C ATOM 1173 CE2 TYR A 575 -5.507 -12.651 -5.561 1.00 0.40 C ATOM 1174 CZ TYR A 575 -6.159 -11.410 -5.562 1.00 0.39 C ATOM 1175 OH TYR A 575 -7.505 -11.392 -5.846 1.00 0.48 O ATOM 0 H TYR A 575 0.499 -11.389 -4.533 1.00 0.20 H new ATOM 0 HA TYR A 575 -1.249 -12.717 -6.333 1.00 0.20 H new ATOM 0 HB2 TYR A 575 -1.792 -12.463 -3.979 1.00 0.20 H new ATOM 0 HB3 TYR A 575 -1.690 -10.717 -4.089 1.00 0.20 H new ATOM 0 HD1 TYR A 575 -3.594 -9.427 -4.738 1.00 0.26 H new ATOM 0 HD2 TYR A 575 -3.653 -13.654 -5.266 1.00 0.33 H new ATOM 0 HE1 TYR A 575 -5.991 -9.329 -5.248 1.00 0.34 H new ATOM 0 HE2 TYR A 575 -6.051 -13.555 -5.790 1.00 0.40 H new ATOM 0 HH TYR A 575 -7.811 -12.303 -6.039 1.00 0.48 H new ATOM 1185 N TYR A 576 -1.105 -9.413 -6.569 1.00 0.21 N ATOM 1186 CA TYR A 576 -1.451 -8.279 -7.427 1.00 0.25 C ATOM 1187 C TYR A 576 -0.587 -8.194 -8.683 1.00 0.30 C ATOM 1188 O TYR A 576 -0.897 -7.437 -9.602 1.00 0.34 O ATOM 1189 CB TYR A 576 -1.406 -6.973 -6.630 1.00 0.28 C ATOM 1190 CG TYR A 576 -2.485 -6.912 -5.569 1.00 0.26 C ATOM 1191 CD1 TYR A 576 -3.808 -6.669 -5.914 1.00 0.32 C ATOM 1192 CD2 TYR A 576 -2.186 -7.120 -4.230 1.00 0.32 C ATOM 1193 CE1 TYR A 576 -4.800 -6.637 -4.954 1.00 0.31 C ATOM 1194 CE2 TYR A 576 -3.171 -7.086 -3.264 1.00 0.36 C ATOM 1195 CZ TYR A 576 -4.476 -6.845 -3.631 1.00 0.29 C ATOM 1196 OH TYR A 576 -5.461 -6.819 -2.673 1.00 0.35 O ATOM 0 H TYR A 576 -0.606 -9.157 -5.717 1.00 0.21 H new ATOM 0 HA TYR A 576 -2.471 -8.443 -7.776 1.00 0.25 H new ATOM 0 HB2 TYR A 576 -0.429 -6.871 -6.158 1.00 0.28 H new ATOM 0 HB3 TYR A 576 -1.521 -6.130 -7.311 1.00 0.28 H new ATOM 0 HD1 TYR A 576 -4.065 -6.502 -6.950 1.00 0.32 H new ATOM 0 HD2 TYR A 576 -1.164 -7.312 -3.939 1.00 0.32 H new ATOM 0 HE1 TYR A 576 -5.825 -6.450 -5.239 1.00 0.31 H new ATOM 0 HE2 TYR A 576 -2.920 -7.247 -2.226 1.00 0.36 H new ATOM 0 HH TYR A 576 -5.065 -6.985 -1.792 1.00 0.35 H new ATOM 1206 N GLN A 577 0.496 -8.953 -8.724 1.00 0.31 N ATOM 1207 CA GLN A 577 1.282 -9.048 -9.948 1.00 0.38 C ATOM 1208 C GLN A 577 0.613 -10.002 -10.932 1.00 0.37 C ATOM 1209 O GLN A 577 0.669 -9.797 -12.145 1.00 0.42 O ATOM 1210 CB GLN A 577 2.726 -9.474 -9.679 1.00 0.45 C ATOM 1211 CG GLN A 577 3.581 -8.367 -9.082 1.00 0.52 C ATOM 1212 CD GLN A 577 5.047 -8.742 -8.973 1.00 1.04 C ATOM 1213 OE1 GLN A 577 5.925 -7.881 -9.055 1.00 1.89 O ATOM 1214 NE2 GLN A 577 5.326 -10.023 -8.788 1.00 1.57 N ATOM 0 H GLN A 577 0.848 -9.504 -7.941 1.00 0.31 H new ATOM 0 HA GLN A 577 1.322 -8.052 -10.388 1.00 0.38 H new ATOM 0 HB2 GLN A 577 2.725 -10.328 -9.001 1.00 0.45 H new ATOM 0 HB3 GLN A 577 3.178 -9.809 -10.613 1.00 0.45 H new ATOM 0 HG2 GLN A 577 3.486 -7.471 -9.696 1.00 0.52 H new ATOM 0 HG3 GLN A 577 3.201 -8.117 -8.091 1.00 0.52 H new ATOM 0 HE21 GLN A 577 4.571 -10.706 -8.725 1.00 1.57 H new ATOM 0 HE22 GLN A 577 6.296 -10.327 -8.708 1.00 1.57 H new ATOM 1223 N GLU A 578 -0.032 -11.040 -10.408 1.00 0.35 N ATOM 1224 CA GLU A 578 -0.762 -11.980 -11.250 1.00 0.38 C ATOM 1225 C GLU A 578 -2.205 -11.518 -11.461 1.00 0.33 C ATOM 1226 O GLU A 578 -2.755 -11.647 -12.556 1.00 0.36 O ATOM 1227 CB GLU A 578 -0.749 -13.375 -10.624 1.00 0.42 C ATOM 1228 CG GLU A 578 0.648 -13.924 -10.381 1.00 0.52 C ATOM 1229 CD GLU A 578 1.460 -14.047 -11.652 1.00 1.24 C ATOM 1230 OE1 GLU A 578 2.231 -13.116 -11.961 1.00 2.14 O ATOM 1231 OE2 GLU A 578 1.325 -15.072 -12.352 1.00 1.31 O ATOM 0 H GLU A 578 -0.064 -11.250 -9.410 1.00 0.35 H new ATOM 0 HA GLU A 578 -0.266 -12.019 -12.220 1.00 0.38 H new ATOM 0 HB2 GLU A 578 -1.287 -13.343 -9.677 1.00 0.42 H new ATOM 0 HB3 GLU A 578 -1.291 -14.061 -11.275 1.00 0.42 H new ATOM 0 HG2 GLU A 578 1.173 -13.273 -9.682 1.00 0.52 H new ATOM 0 HG3 GLU A 578 0.571 -14.903 -9.908 1.00 0.52 H new ATOM 1238 N LYS A 579 -2.809 -10.974 -10.412 1.00 0.29 N ATOM 1239 CA LYS A 579 -4.157 -10.423 -10.484 1.00 0.28 C ATOM 1240 C LYS A 579 -4.182 -9.042 -9.836 1.00 0.25 C ATOM 1241 O LYS A 579 -4.375 -8.920 -8.624 1.00 0.24 O ATOM 1242 CB LYS A 579 -5.154 -11.332 -9.760 1.00 0.31 C ATOM 1243 CG LYS A 579 -5.269 -12.729 -10.340 1.00 0.42 C ATOM 1244 CD LYS A 579 -6.264 -13.560 -9.550 1.00 0.69 C ATOM 1245 CE LYS A 579 -6.398 -14.962 -10.115 1.00 1.69 C ATOM 1246 NZ LYS A 579 -7.365 -15.781 -9.338 1.00 2.46 N ATOM 0 H LYS A 579 -2.380 -10.902 -9.489 1.00 0.29 H new ATOM 0 HA LYS A 579 -4.442 -10.349 -11.534 1.00 0.28 H new ATOM 0 HB2 LYS A 579 -4.861 -11.410 -8.713 1.00 0.31 H new ATOM 0 HB3 LYS A 579 -6.137 -10.861 -9.782 1.00 0.31 H new ATOM 0 HG2 LYS A 579 -5.583 -12.670 -11.382 1.00 0.42 H new ATOM 0 HG3 LYS A 579 -4.293 -13.214 -10.328 1.00 0.42 H new ATOM 0 HD2 LYS A 579 -5.946 -13.616 -8.509 1.00 0.69 H new ATOM 0 HD3 LYS A 579 -7.237 -13.069 -9.560 1.00 0.69 H new ATOM 0 HE2 LYS A 579 -6.722 -14.905 -11.154 1.00 1.69 H new ATOM 0 HE3 LYS A 579 -5.423 -15.450 -10.111 1.00 1.69 H new ATOM 0 HZ1 LYS A 579 -7.429 -16.732 -9.755 1.00 2.46 H new ATOM 0 HZ2 LYS A 579 -7.043 -15.856 -8.352 1.00 2.46 H new ATOM 0 HZ3 LYS A 579 -8.301 -15.329 -9.363 1.00 2.46 H new ATOM 1260 N PRO A 580 -3.984 -7.990 -10.630 1.00 0.26 N ATOM 1261 CA PRO A 580 -3.924 -6.620 -10.124 1.00 0.25 C ATOM 1262 C PRO A 580 -5.290 -6.090 -9.696 1.00 0.22 C ATOM 1263 O PRO A 580 -6.332 -6.615 -10.098 1.00 0.22 O ATOM 1264 CB PRO A 580 -3.391 -5.825 -11.315 1.00 0.27 C ATOM 1265 CG PRO A 580 -3.801 -6.607 -12.513 1.00 0.37 C ATOM 1266 CD PRO A 580 -3.807 -8.051 -12.093 1.00 0.32 C ATOM 0 HA PRO A 580 -3.304 -6.546 -9.231 1.00 0.25 H new ATOM 0 HB2 PRO A 580 -3.810 -4.819 -11.338 1.00 0.27 H new ATOM 0 HB3 PRO A 580 -2.307 -5.718 -11.265 1.00 0.27 H new ATOM 0 HG2 PRO A 580 -4.787 -6.299 -12.860 1.00 0.37 H new ATOM 0 HG3 PRO A 580 -3.108 -6.445 -13.339 1.00 0.37 H new ATOM 0 HD2 PRO A 580 -4.616 -8.604 -12.571 1.00 0.32 H new ATOM 0 HD3 PRO A 580 -2.876 -8.550 -12.363 1.00 0.32 H new ATOM 1274 N ALA A 581 -5.275 -5.050 -8.874 1.00 0.22 N ATOM 1275 CA ALA A 581 -6.503 -4.404 -8.444 1.00 0.22 C ATOM 1276 C ALA A 581 -6.811 -3.244 -9.369 1.00 0.20 C ATOM 1277 O ALA A 581 -5.927 -2.456 -9.693 1.00 0.19 O ATOM 1278 CB ALA A 581 -6.376 -3.915 -7.010 1.00 0.27 C ATOM 0 H ALA A 581 -4.424 -4.637 -8.492 1.00 0.22 H new ATOM 0 HA ALA A 581 -7.319 -5.126 -8.485 1.00 0.22 H new ATOM 0 HB1 ALA A 581 -7.306 -3.434 -6.706 1.00 0.27 H new ATOM 0 HB2 ALA A 581 -6.174 -4.761 -6.354 1.00 0.27 H new ATOM 0 HB3 ALA A 581 -5.557 -3.199 -6.941 1.00 0.27 H new ATOM 1284 N ILE A 582 -8.049 -3.150 -9.809 1.00 0.23 N ATOM 1285 CA ILE A 582 -8.435 -2.130 -10.766 1.00 0.26 C ATOM 1286 C ILE A 582 -9.118 -0.963 -10.065 1.00 0.28 C ATOM 1287 O ILE A 582 -10.139 -1.137 -9.400 1.00 0.33 O ATOM 1288 CB ILE A 582 -9.379 -2.703 -11.845 1.00 0.35 C ATOM 1289 CG1 ILE A 582 -8.745 -3.937 -12.498 1.00 0.39 C ATOM 1290 CG2 ILE A 582 -9.688 -1.645 -12.896 1.00 0.39 C ATOM 1291 CD1 ILE A 582 -9.641 -4.618 -13.509 1.00 0.51 C ATOM 0 H ILE A 582 -8.807 -3.768 -9.519 1.00 0.23 H new ATOM 0 HA ILE A 582 -7.524 -1.777 -11.249 1.00 0.26 H new ATOM 0 HB ILE A 582 -10.314 -3.000 -11.370 1.00 0.35 H new ATOM 0 HG12 ILE A 582 -7.818 -3.641 -12.989 1.00 0.39 H new ATOM 0 HG13 ILE A 582 -8.480 -4.653 -11.720 1.00 0.39 H new ATOM 0 HG21 ILE A 582 -10.355 -2.064 -13.650 1.00 0.39 H new ATOM 0 HG22 ILE A 582 -10.169 -0.790 -12.421 1.00 0.39 H new ATOM 0 HG23 ILE A 582 -8.761 -1.322 -13.371 1.00 0.39 H new ATOM 0 HD11 ILE A 582 -9.125 -5.482 -13.929 1.00 0.51 H new ATOM 0 HD12 ILE A 582 -10.558 -4.945 -13.020 1.00 0.51 H new ATOM 0 HD13 ILE A 582 -9.886 -3.918 -14.308 1.00 0.51 H new ATOM 1303 N ILE A 583 -8.540 0.219 -10.204 1.00 0.28 N ATOM 1304 CA ILE A 583 -9.119 1.429 -9.643 1.00 0.33 C ATOM 1305 C ILE A 583 -9.337 2.453 -10.748 1.00 0.36 C ATOM 1306 O ILE A 583 -8.375 2.966 -11.321 1.00 0.35 O ATOM 1307 CB ILE A 583 -8.207 2.037 -8.555 1.00 0.32 C ATOM 1308 CG1 ILE A 583 -8.121 1.123 -7.331 1.00 0.32 C ATOM 1309 CG2 ILE A 583 -8.701 3.416 -8.155 1.00 0.38 C ATOM 1310 CD1 ILE A 583 -9.437 0.933 -6.610 1.00 0.51 C ATOM 0 H ILE A 583 -7.664 0.367 -10.704 1.00 0.28 H new ATOM 0 HA ILE A 583 -10.072 1.165 -9.184 1.00 0.33 H new ATOM 0 HB ILE A 583 -7.205 2.134 -8.973 1.00 0.32 H new ATOM 0 HG12 ILE A 583 -7.746 0.148 -7.644 1.00 0.32 H new ATOM 0 HG13 ILE A 583 -7.393 1.536 -6.633 1.00 0.32 H new ATOM 0 HG21 ILE A 583 -8.046 3.829 -7.388 1.00 0.38 H new ATOM 0 HG22 ILE A 583 -8.697 4.071 -9.026 1.00 0.38 H new ATOM 0 HG23 ILE A 583 -9.715 3.340 -7.764 1.00 0.38 H new ATOM 0 HD11 ILE A 583 -9.291 0.273 -5.755 1.00 0.51 H new ATOM 0 HD12 ILE A 583 -9.805 1.899 -6.264 1.00 0.51 H new ATOM 0 HD13 ILE A 583 -10.164 0.490 -7.291 1.00 0.51 H new ATOM 1322 N ASN A 584 -10.603 2.728 -11.059 1.00 0.41 N ATOM 1323 CA ASN A 584 -10.967 3.656 -12.132 1.00 0.47 C ATOM 1324 C ASN A 584 -10.308 3.246 -13.440 1.00 0.45 C ATOM 1325 O ASN A 584 -9.879 4.084 -14.235 1.00 0.50 O ATOM 1326 CB ASN A 584 -10.620 5.107 -11.777 1.00 0.55 C ATOM 1327 CG ASN A 584 -11.510 5.666 -10.684 1.00 0.62 C ATOM 1328 OD1 ASN A 584 -12.597 6.177 -10.955 1.00 1.10 O ATOM 1329 ND2 ASN A 584 -11.060 5.581 -9.444 1.00 0.91 N ATOM 0 H ASN A 584 -11.403 2.317 -10.578 1.00 0.41 H new ATOM 0 HA ASN A 584 -12.049 3.605 -12.256 1.00 0.47 H new ATOM 0 HB2 ASN A 584 -9.580 5.160 -11.457 1.00 0.55 H new ATOM 0 HB3 ASN A 584 -10.711 5.728 -12.668 1.00 0.55 H new ATOM 0 HD21 ASN A 584 -11.619 5.946 -8.673 1.00 0.91 H new ATOM 0 HD22 ASN A 584 -10.154 5.151 -9.259 1.00 0.91 H new ATOM 1336 N GLY A 585 -10.228 1.940 -13.644 1.00 0.42 N ATOM 1337 CA GLY A 585 -9.694 1.399 -14.875 1.00 0.44 C ATOM 1338 C GLY A 585 -8.183 1.282 -14.889 1.00 0.39 C ATOM 1339 O GLY A 585 -7.602 0.886 -15.899 1.00 0.42 O ATOM 0 H GLY A 585 -10.528 1.237 -12.968 1.00 0.42 H new ATOM 0 HA2 GLY A 585 -10.127 0.413 -15.045 1.00 0.44 H new ATOM 0 HA3 GLY A 585 -10.007 2.032 -15.705 1.00 0.44 H new ATOM 1343 N GLU A 586 -7.536 1.625 -13.787 1.00 0.35 N ATOM 1344 CA GLU A 586 -6.088 1.520 -13.713 1.00 0.32 C ATOM 1345 C GLU A 586 -5.671 0.417 -12.747 1.00 0.24 C ATOM 1346 O GLU A 586 -6.125 0.369 -11.604 1.00 0.26 O ATOM 1347 CB GLU A 586 -5.471 2.858 -13.307 1.00 0.43 C ATOM 1348 CG GLU A 586 -5.780 3.977 -14.291 1.00 0.57 C ATOM 1349 CD GLU A 586 -4.929 5.205 -14.066 1.00 0.91 C ATOM 1350 OE1 GLU A 586 -3.777 5.240 -14.549 1.00 0.90 O ATOM 1351 OE2 GLU A 586 -5.411 6.145 -13.402 1.00 1.79 O ATOM 0 H GLU A 586 -7.984 1.975 -12.940 1.00 0.35 H new ATOM 0 HA GLU A 586 -5.716 1.258 -14.704 1.00 0.32 H new ATOM 0 HB2 GLU A 586 -5.839 3.137 -12.320 1.00 0.43 H new ATOM 0 HB3 GLU A 586 -4.390 2.743 -13.223 1.00 0.43 H new ATOM 0 HG2 GLU A 586 -5.625 3.614 -15.307 1.00 0.57 H new ATOM 0 HG3 GLU A 586 -6.832 4.249 -14.206 1.00 0.57 H new ATOM 1358 N LYS A 587 -4.832 -0.484 -13.239 1.00 0.21 N ATOM 1359 CA LYS A 587 -4.327 -1.601 -12.447 1.00 0.19 C ATOM 1360 C LYS A 587 -3.289 -1.138 -11.432 1.00 0.17 C ATOM 1361 O LYS A 587 -2.304 -0.495 -11.790 1.00 0.22 O ATOM 1362 CB LYS A 587 -3.697 -2.639 -13.369 1.00 0.23 C ATOM 1363 CG LYS A 587 -4.650 -3.181 -14.420 1.00 0.33 C ATOM 1364 CD LYS A 587 -3.965 -4.195 -15.319 1.00 1.14 C ATOM 1365 CE LYS A 587 -4.919 -4.756 -16.359 1.00 1.10 C ATOM 1366 NZ LYS A 587 -4.285 -5.824 -17.175 1.00 1.67 N ATOM 0 H LYS A 587 -4.482 -0.463 -14.197 1.00 0.21 H new ATOM 0 HA LYS A 587 -5.167 -2.037 -11.907 1.00 0.19 H new ATOM 0 HB2 LYS A 587 -2.836 -2.194 -13.867 1.00 0.23 H new ATOM 0 HB3 LYS A 587 -3.324 -3.468 -12.767 1.00 0.23 H new ATOM 0 HG2 LYS A 587 -5.507 -3.646 -13.932 1.00 0.33 H new ATOM 0 HG3 LYS A 587 -5.034 -2.359 -15.023 1.00 0.33 H new ATOM 0 HD2 LYS A 587 -3.117 -3.725 -15.818 1.00 1.14 H new ATOM 0 HD3 LYS A 587 -3.567 -5.009 -14.713 1.00 1.14 H new ATOM 0 HE2 LYS A 587 -5.803 -5.156 -15.862 1.00 1.10 H new ATOM 0 HE3 LYS A 587 -5.257 -3.952 -17.013 1.00 1.10 H new ATOM 0 HZ1 LYS A 587 -4.969 -6.180 -17.873 1.00 1.67 H new ATOM 0 HZ2 LYS A 587 -3.456 -5.437 -17.669 1.00 1.67 H new ATOM 0 HZ3 LYS A 587 -3.986 -6.603 -16.555 1.00 1.67 H new ATOM 1380 N LEU A 588 -3.511 -1.476 -10.171 1.00 0.15 N ATOM 1381 CA LEU A 588 -2.602 -1.096 -9.100 1.00 0.15 C ATOM 1382 C LEU A 588 -1.403 -2.028 -9.036 1.00 0.17 C ATOM 1383 O LEU A 588 -1.528 -3.240 -9.228 1.00 0.21 O ATOM 1384 CB LEU A 588 -3.317 -1.113 -7.751 1.00 0.16 C ATOM 1385 CG LEU A 588 -4.581 -0.264 -7.660 1.00 0.18 C ATOM 1386 CD1 LEU A 588 -5.061 -0.200 -6.223 1.00 0.24 C ATOM 1387 CD2 LEU A 588 -4.338 1.131 -8.208 1.00 0.16 C ATOM 0 H LEU A 588 -4.319 -2.017 -9.863 1.00 0.15 H new ATOM 0 HA LEU A 588 -2.255 -0.086 -9.316 1.00 0.15 H new ATOM 0 HB2 LEU A 588 -3.576 -2.144 -7.511 1.00 0.16 H new ATOM 0 HB3 LEU A 588 -2.618 -0.774 -6.986 1.00 0.16 H new ATOM 0 HG LEU A 588 -5.356 -0.730 -8.268 1.00 0.18 H new ATOM 0 HD11 LEU A 588 -5.964 0.408 -6.168 1.00 0.24 H new ATOM 0 HD12 LEU A 588 -5.279 -1.207 -5.867 1.00 0.24 H new ATOM 0 HD13 LEU A 588 -4.285 0.245 -5.600 1.00 0.24 H new ATOM 0 HD21 LEU A 588 -5.254 1.717 -8.132 1.00 0.16 H new ATOM 0 HD22 LEU A 588 -3.549 1.615 -7.633 1.00 0.16 H new ATOM 0 HD23 LEU A 588 -4.036 1.064 -9.253 1.00 0.16 H new ATOM 1399 N LEU A 589 -0.245 -1.451 -8.764 1.00 0.17 N ATOM 1400 CA LEU A 589 0.977 -2.221 -8.605 1.00 0.19 C ATOM 1401 C LEU A 589 1.458 -2.160 -7.159 1.00 0.18 C ATOM 1402 O LEU A 589 1.876 -1.104 -6.685 1.00 0.18 O ATOM 1403 CB LEU A 589 2.062 -1.683 -9.541 1.00 0.23 C ATOM 1404 CG LEU A 589 3.419 -2.379 -9.434 1.00 0.30 C ATOM 1405 CD1 LEU A 589 3.315 -3.819 -9.908 1.00 0.37 C ATOM 1406 CD2 LEU A 589 4.464 -1.626 -10.238 1.00 0.38 C ATOM 0 H LEU A 589 -0.125 -0.445 -8.648 1.00 0.17 H new ATOM 0 HA LEU A 589 0.770 -3.260 -8.861 1.00 0.19 H new ATOM 0 HB2 LEU A 589 1.708 -1.769 -10.568 1.00 0.23 H new ATOM 0 HB3 LEU A 589 2.200 -0.621 -9.339 1.00 0.23 H new ATOM 0 HG LEU A 589 3.726 -2.383 -8.388 1.00 0.30 H new ATOM 0 HD11 LEU A 589 4.289 -4.300 -9.825 1.00 0.37 H new ATOM 0 HD12 LEU A 589 2.593 -4.354 -9.291 1.00 0.37 H new ATOM 0 HD13 LEU A 589 2.988 -3.837 -10.948 1.00 0.37 H new ATOM 0 HD21 LEU A 589 5.425 -2.134 -10.152 1.00 0.38 H new ATOM 0 HD22 LEU A 589 4.163 -1.593 -11.285 1.00 0.38 H new ATOM 0 HD23 LEU A 589 4.555 -0.610 -9.855 1.00 0.38 H new ATOM 1418 N ILE A 590 1.384 -3.281 -6.458 1.00 0.18 N ATOM 1419 CA ILE A 590 1.902 -3.360 -5.097 1.00 0.18 C ATOM 1420 C ILE A 590 3.245 -4.081 -5.093 1.00 0.20 C ATOM 1421 O ILE A 590 3.336 -5.235 -5.512 1.00 0.26 O ATOM 1422 CB ILE A 590 0.919 -4.086 -4.144 1.00 0.19 C ATOM 1423 CG1 ILE A 590 -0.446 -3.382 -4.146 1.00 0.19 C ATOM 1424 CG2 ILE A 590 1.492 -4.148 -2.732 1.00 0.19 C ATOM 1425 CD1 ILE A 590 -1.421 -3.901 -3.104 1.00 0.21 C ATOM 0 H ILE A 590 0.972 -4.147 -6.806 1.00 0.18 H new ATOM 0 HA ILE A 590 2.027 -2.340 -4.734 1.00 0.18 H new ATOM 0 HB ILE A 590 0.779 -5.107 -4.501 1.00 0.19 H new ATOM 0 HG12 ILE A 590 -0.291 -2.316 -3.982 1.00 0.19 H new ATOM 0 HG13 ILE A 590 -0.896 -3.491 -5.133 1.00 0.19 H new ATOM 0 HG21 ILE A 590 0.789 -4.661 -2.076 1.00 0.19 H new ATOM 0 HG22 ILE A 590 2.437 -4.691 -2.746 1.00 0.19 H new ATOM 0 HG23 ILE A 590 1.660 -3.136 -2.363 1.00 0.19 H new ATOM 0 HD11 ILE A 590 -2.358 -3.349 -3.176 1.00 0.21 H new ATOM 0 HD12 ILE A 590 -1.610 -4.960 -3.278 1.00 0.21 H new ATOM 0 HD13 ILE A 590 -0.996 -3.767 -2.109 1.00 0.21 H new ATOM 1437 N ARG A 591 4.284 -3.394 -4.633 1.00 0.18 N ATOM 1438 CA ARG A 591 5.633 -3.947 -4.618 1.00 0.22 C ATOM 1439 C ARG A 591 6.415 -3.411 -3.427 1.00 0.18 C ATOM 1440 O ARG A 591 6.011 -2.439 -2.789 1.00 0.19 O ATOM 1441 CB ARG A 591 6.377 -3.630 -5.919 1.00 0.33 C ATOM 1442 CG ARG A 591 6.069 -4.597 -7.055 1.00 0.45 C ATOM 1443 CD ARG A 591 6.896 -4.281 -8.289 1.00 0.65 C ATOM 1444 NE ARG A 591 6.676 -5.244 -9.368 1.00 1.33 N ATOM 1445 CZ ARG A 591 6.781 -4.944 -10.664 1.00 1.69 C ATOM 1446 NH1 ARG A 591 7.083 -3.707 -11.036 1.00 1.56 N ATOM 1447 NH2 ARG A 591 6.586 -5.877 -11.586 1.00 2.62 N ATOM 0 H ARG A 591 4.217 -2.446 -4.263 1.00 0.18 H new ATOM 0 HA ARG A 591 5.547 -5.030 -4.529 1.00 0.22 H new ATOM 0 HB2 ARG A 591 6.121 -2.619 -6.236 1.00 0.33 H new ATOM 0 HB3 ARG A 591 7.450 -3.642 -5.725 1.00 0.33 H new ATOM 0 HG2 ARG A 591 6.271 -5.618 -6.731 1.00 0.45 H new ATOM 0 HG3 ARG A 591 5.009 -4.545 -7.302 1.00 0.45 H new ATOM 0 HD2 ARG A 591 6.649 -3.280 -8.643 1.00 0.65 H new ATOM 0 HD3 ARG A 591 7.953 -4.273 -8.023 1.00 0.65 H new ATOM 0 HE ARG A 591 6.428 -6.200 -9.115 1.00 1.33 H new ATOM 0 HH11 ARG A 591 7.235 -2.985 -10.331 1.00 1.56 H new ATOM 0 HH12 ARG A 591 7.163 -3.478 -12.027 1.00 1.56 H new ATOM 0 HH21 ARG A 591 6.354 -6.830 -11.306 1.00 2.62 H new ATOM 0 HH22 ARG A 591 6.668 -5.642 -12.575 1.00 2.62 H new ATOM 1461 N MET A 592 7.534 -4.052 -3.135 1.00 0.17 N ATOM 1462 CA MET A 592 8.363 -3.675 -1.999 1.00 0.18 C ATOM 1463 C MET A 592 9.270 -2.507 -2.363 1.00 0.21 C ATOM 1464 O MET A 592 9.858 -2.487 -3.443 1.00 0.29 O ATOM 1465 CB MET A 592 9.202 -4.863 -1.534 1.00 0.19 C ATOM 1466 CG MET A 592 8.378 -5.998 -0.952 1.00 0.22 C ATOM 1467 SD MET A 592 9.401 -7.312 -0.265 1.00 0.29 S ATOM 1468 CE MET A 592 8.144 -8.426 0.359 1.00 0.34 C ATOM 0 H MET A 592 7.892 -4.842 -3.672 1.00 0.17 H new ATOM 0 HA MET A 592 7.707 -3.367 -1.185 1.00 0.18 H new ATOM 0 HB2 MET A 592 9.781 -5.240 -2.377 1.00 0.19 H new ATOM 0 HB3 MET A 592 9.916 -4.522 -0.784 1.00 0.19 H new ATOM 0 HG2 MET A 592 7.725 -5.606 -0.173 1.00 0.22 H new ATOM 0 HG3 MET A 592 7.735 -6.411 -1.729 1.00 0.22 H new ATOM 0 HE1 MET A 592 8.620 -9.310 0.784 1.00 0.34 H new ATOM 0 HE2 MET A 592 7.561 -7.922 1.129 1.00 0.34 H new ATOM 0 HE3 MET A 592 7.486 -8.725 -0.457 1.00 0.34 H new ATOM 1478 N SER A 593 9.386 -1.542 -1.459 1.00 0.23 N ATOM 1479 CA SER A 593 10.180 -0.349 -1.715 1.00 0.26 C ATOM 1480 C SER A 593 11.665 -0.599 -1.461 1.00 0.25 C ATOM 1481 O SER A 593 12.041 -1.271 -0.498 1.00 0.27 O ATOM 1482 CB SER A 593 9.687 0.794 -0.840 1.00 0.34 C ATOM 1483 OG SER A 593 8.294 0.982 -0.997 1.00 1.37 O ATOM 0 H SER A 593 8.940 -1.563 -0.542 1.00 0.23 H new ATOM 0 HA SER A 593 10.062 -0.083 -2.766 1.00 0.26 H new ATOM 0 HB2 SER A 593 9.914 0.582 0.205 1.00 0.34 H new ATOM 0 HB3 SER A 593 10.214 1.712 -1.101 1.00 0.34 H new ATOM 0 HG SER A 593 7.817 0.205 -0.638 1.00 1.37 H new ATOM 1489 N THR A 594 12.485 -0.056 -2.345 1.00 0.27 N ATOM 1490 CA THR A 594 13.928 -0.237 -2.284 1.00 0.30 C ATOM 1491 C THR A 594 14.640 0.877 -1.507 1.00 0.31 C ATOM 1492 O THR A 594 15.813 0.735 -1.154 1.00 0.33 O ATOM 1493 CB THR A 594 14.529 -0.351 -3.697 1.00 0.35 C ATOM 1494 OG1 THR A 594 14.024 0.696 -4.537 1.00 0.38 O ATOM 1495 CG2 THR A 594 14.201 -1.703 -4.313 1.00 0.38 C ATOM 0 H THR A 594 12.171 0.522 -3.125 1.00 0.27 H new ATOM 0 HA THR A 594 14.092 -1.168 -1.741 1.00 0.30 H new ATOM 0 HB THR A 594 15.612 -0.255 -3.615 1.00 0.35 H new ATOM 0 HG1 THR A 594 14.414 0.614 -5.432 1.00 0.38 H new ATOM 0 HG21 THR A 594 14.635 -1.763 -5.311 1.00 0.38 H new ATOM 0 HG22 THR A 594 14.613 -2.496 -3.690 1.00 0.38 H new ATOM 0 HG23 THR A 594 13.119 -1.820 -4.380 1.00 0.38 H new ATOM 1503 N ARG A 595 13.945 1.980 -1.232 1.00 0.32 N ATOM 1504 CA ARG A 595 14.615 3.156 -0.672 1.00 0.37 C ATOM 1505 C ARG A 595 14.372 3.329 0.828 1.00 0.37 C ATOM 1506 O ARG A 595 15.223 3.857 1.534 1.00 0.41 O ATOM 1507 CB ARG A 595 14.189 4.427 -1.407 1.00 0.41 C ATOM 1508 CG ARG A 595 14.634 4.478 -2.858 1.00 0.46 C ATOM 1509 CD ARG A 595 14.327 5.829 -3.482 1.00 0.56 C ATOM 1510 NE ARG A 595 14.763 5.907 -4.875 1.00 1.36 N ATOM 1511 CZ ARG A 595 15.235 7.013 -5.449 1.00 1.67 C ATOM 1512 NH1 ARG A 595 15.315 8.145 -4.757 1.00 1.16 N ATOM 1513 NH2 ARG A 595 15.622 6.990 -6.720 1.00 2.75 N ATOM 0 H ARG A 595 12.942 2.086 -1.383 1.00 0.32 H new ATOM 0 HA ARG A 595 15.683 2.987 -0.812 1.00 0.37 H new ATOM 0 HB2 ARG A 595 13.103 4.511 -1.367 1.00 0.41 H new ATOM 0 HB3 ARG A 595 14.595 5.292 -0.882 1.00 0.41 H new ATOM 0 HG2 ARG A 595 15.704 4.281 -2.920 1.00 0.46 H new ATOM 0 HG3 ARG A 595 14.132 3.692 -3.422 1.00 0.46 H new ATOM 0 HD2 ARG A 595 13.255 6.017 -3.428 1.00 0.56 H new ATOM 0 HD3 ARG A 595 14.817 6.613 -2.905 1.00 0.56 H new ATOM 0 HE ARG A 595 14.702 5.062 -5.443 1.00 1.36 H new ATOM 0 HH11 ARG A 595 15.014 8.169 -3.783 1.00 1.16 H new ATOM 0 HH12 ARG A 595 15.677 8.989 -5.200 1.00 1.16 H new ATOM 0 HH21 ARG A 595 15.558 6.125 -7.257 1.00 2.75 H new ATOM 0 HH22 ARG A 595 15.983 7.837 -7.159 1.00 2.75 H new ATOM 1527 N TYR A 596 13.229 2.882 1.324 1.00 0.35 N ATOM 1528 CA TYR A 596 12.891 3.096 2.731 1.00 0.37 C ATOM 1529 C TYR A 596 12.740 1.792 3.497 1.00 0.35 C ATOM 1530 O TYR A 596 12.321 0.773 2.945 1.00 0.36 O ATOM 1531 CB TYR A 596 11.615 3.934 2.865 1.00 0.39 C ATOM 1532 CG TYR A 596 11.824 5.411 2.602 1.00 0.43 C ATOM 1533 CD1 TYR A 596 11.895 5.915 1.309 1.00 0.48 C ATOM 1534 CD2 TYR A 596 11.952 6.299 3.661 1.00 0.54 C ATOM 1535 CE1 TYR A 596 12.091 7.265 1.083 1.00 0.54 C ATOM 1536 CE2 TYR A 596 12.146 7.648 3.443 1.00 0.61 C ATOM 1537 CZ TYR A 596 12.216 8.126 2.153 1.00 0.56 C ATOM 1538 OH TYR A 596 12.410 9.472 1.935 1.00 0.65 O ATOM 0 H TYR A 596 12.526 2.375 0.786 1.00 0.35 H new ATOM 0 HA TYR A 596 13.726 3.641 3.172 1.00 0.37 H new ATOM 0 HB2 TYR A 596 10.866 3.553 2.170 1.00 0.39 H new ATOM 0 HB3 TYR A 596 11.212 3.807 3.870 1.00 0.39 H new ATOM 0 HD1 TYR A 596 11.796 5.243 0.469 1.00 0.48 H new ATOM 0 HD2 TYR A 596 11.899 5.928 4.674 1.00 0.54 H new ATOM 0 HE1 TYR A 596 12.146 7.643 0.073 1.00 0.54 H new ATOM 0 HE2 TYR A 596 12.242 8.325 4.279 1.00 0.61 H new ATOM 0 HH TYR A 596 12.476 9.936 2.795 1.00 0.65 H new ATOM 1548 N LYS A 597 13.110 1.835 4.774 1.00 0.38 N ATOM 1549 CA LYS A 597 13.005 0.682 5.660 1.00 0.41 C ATOM 1550 C LYS A 597 11.892 0.861 6.684 1.00 0.41 C ATOM 1551 O LYS A 597 11.518 -0.093 7.367 1.00 0.48 O ATOM 1552 CB LYS A 597 14.324 0.413 6.393 1.00 0.50 C ATOM 1553 CG LYS A 597 15.431 -0.148 5.512 1.00 0.62 C ATOM 1554 CD LYS A 597 15.938 0.864 4.497 1.00 1.29 C ATOM 1555 CE LYS A 597 16.934 0.231 3.540 1.00 1.67 C ATOM 1556 NZ LYS A 597 18.112 -0.328 4.254 1.00 2.18 N ATOM 0 H LYS A 597 13.490 2.669 5.222 1.00 0.38 H new ATOM 0 HA LYS A 597 12.770 -0.173 5.027 1.00 0.41 H new ATOM 0 HB2 LYS A 597 14.671 1.343 6.843 1.00 0.50 H new ATOM 0 HB3 LYS A 597 14.136 -0.286 7.208 1.00 0.50 H new ATOM 0 HG2 LYS A 597 16.260 -0.474 6.140 1.00 0.62 H new ATOM 0 HG3 LYS A 597 15.062 -1.030 4.988 1.00 0.62 H new ATOM 0 HD2 LYS A 597 15.098 1.271 3.935 1.00 1.29 H new ATOM 0 HD3 LYS A 597 16.409 1.699 5.016 1.00 1.29 H new ATOM 0 HE2 LYS A 597 16.442 -0.561 2.976 1.00 1.67 H new ATOM 0 HE3 LYS A 597 17.267 0.976 2.818 1.00 1.67 H new ATOM 0 HZ1 LYS A 597 18.835 -0.612 3.562 1.00 2.18 H new ATOM 0 HZ2 LYS A 597 18.507 0.394 4.890 1.00 2.18 H new ATOM 0 HZ3 LYS A 597 17.820 -1.157 4.810 1.00 2.18 H new ATOM 1570 N GLU A 598 11.372 2.074 6.811 1.00 0.38 N ATOM 1571 CA GLU A 598 10.290 2.322 7.749 1.00 0.41 C ATOM 1572 C GLU A 598 9.339 3.390 7.217 1.00 0.34 C ATOM 1573 O GLU A 598 9.747 4.289 6.481 1.00 0.33 O ATOM 1574 CB GLU A 598 10.867 2.753 9.099 1.00 0.55 C ATOM 1575 CG GLU A 598 9.823 2.980 10.177 1.00 0.62 C ATOM 1576 CD GLU A 598 10.447 3.372 11.495 1.00 0.80 C ATOM 1577 OE1 GLU A 598 10.487 2.529 12.417 1.00 0.95 O ATOM 1578 OE2 GLU A 598 10.912 4.524 11.614 1.00 0.91 O ATOM 0 H GLU A 598 11.678 2.891 6.283 1.00 0.38 H new ATOM 0 HA GLU A 598 9.723 1.400 7.876 1.00 0.41 H new ATOM 0 HB2 GLU A 598 11.568 1.992 9.442 1.00 0.55 H new ATOM 0 HB3 GLU A 598 11.437 3.672 8.961 1.00 0.55 H new ATOM 0 HG2 GLU A 598 9.134 3.761 9.856 1.00 0.62 H new ATOM 0 HG3 GLU A 598 9.236 2.071 10.310 1.00 0.62 H new ATOM 1585 N LEU A 599 8.078 3.269 7.598 1.00 0.36 N ATOM 1586 CA LEU A 599 7.056 4.234 7.219 1.00 0.32 C ATOM 1587 C LEU A 599 6.679 5.127 8.392 1.00 0.33 C ATOM 1588 O LEU A 599 6.332 4.644 9.467 1.00 0.37 O ATOM 1589 CB LEU A 599 5.817 3.514 6.682 1.00 0.33 C ATOM 1590 CG LEU A 599 6.044 2.719 5.396 1.00 0.37 C ATOM 1591 CD1 LEU A 599 4.750 2.106 4.895 1.00 0.45 C ATOM 1592 CD2 LEU A 599 6.657 3.600 4.324 1.00 0.33 C ATOM 0 H LEU A 599 7.734 2.503 8.176 1.00 0.36 H new ATOM 0 HA LEU A 599 7.467 4.866 6.432 1.00 0.32 H new ATOM 0 HB2 LEU A 599 5.446 2.836 7.451 1.00 0.33 H new ATOM 0 HB3 LEU A 599 5.035 4.251 6.503 1.00 0.33 H new ATOM 0 HG LEU A 599 6.738 1.910 5.623 1.00 0.37 H new ATOM 0 HD11 LEU A 599 4.943 1.547 3.979 1.00 0.45 H new ATOM 0 HD12 LEU A 599 4.348 1.434 5.653 1.00 0.45 H new ATOM 0 HD13 LEU A 599 4.028 2.897 4.692 1.00 0.45 H new ATOM 0 HD21 LEU A 599 6.811 3.016 3.417 1.00 0.33 H new ATOM 0 HD22 LEU A 599 5.987 4.433 4.110 1.00 0.33 H new ATOM 0 HD23 LEU A 599 7.615 3.986 4.674 1.00 0.33 H new ATOM 1604 N GLN A 600 6.762 6.430 8.176 1.00 0.36 N ATOM 1605 CA GLN A 600 6.419 7.401 9.206 1.00 0.44 C ATOM 1606 C GLN A 600 5.130 8.132 8.837 1.00 0.39 C ATOM 1607 O GLN A 600 5.013 8.674 7.738 1.00 0.43 O ATOM 1608 CB GLN A 600 7.563 8.403 9.379 1.00 0.59 C ATOM 1609 CG GLN A 600 7.356 9.391 10.515 1.00 0.85 C ATOM 1610 CD GLN A 600 8.498 10.380 10.637 1.00 1.10 C ATOM 1611 OE1 GLN A 600 9.480 10.133 11.335 1.00 1.52 O ATOM 1612 NE2 GLN A 600 8.373 11.514 9.968 1.00 1.34 N ATOM 0 H GLN A 600 7.065 6.842 7.294 1.00 0.36 H new ATOM 0 HA GLN A 600 6.263 6.875 10.148 1.00 0.44 H new ATOM 0 HB2 GLN A 600 8.489 7.855 9.553 1.00 0.59 H new ATOM 0 HB3 GLN A 600 7.690 8.957 8.449 1.00 0.59 H new ATOM 0 HG2 GLN A 600 6.424 9.934 10.355 1.00 0.85 H new ATOM 0 HG3 GLN A 600 7.250 8.845 11.453 1.00 0.85 H new ATOM 0 HE21 GLN A 600 7.543 11.682 9.399 1.00 1.34 H new ATOM 0 HE22 GLN A 600 9.107 12.221 10.021 1.00 1.34 H new ATOM 1621 N LEU A 601 4.169 8.141 9.753 1.00 0.37 N ATOM 1622 CA LEU A 601 2.894 8.804 9.508 1.00 0.34 C ATOM 1623 C LEU A 601 3.005 10.301 9.762 1.00 0.39 C ATOM 1624 O LEU A 601 2.871 10.760 10.897 1.00 0.46 O ATOM 1625 CB LEU A 601 1.789 8.222 10.397 1.00 0.36 C ATOM 1626 CG LEU A 601 1.414 6.760 10.138 1.00 0.34 C ATOM 1627 CD1 LEU A 601 0.258 6.357 11.038 1.00 0.46 C ATOM 1628 CD2 LEU A 601 1.045 6.546 8.676 1.00 0.32 C ATOM 0 H LEU A 601 4.248 7.699 10.669 1.00 0.37 H new ATOM 0 HA LEU A 601 2.635 8.634 8.463 1.00 0.34 H new ATOM 0 HB2 LEU A 601 2.100 8.317 11.437 1.00 0.36 H new ATOM 0 HB3 LEU A 601 0.894 8.832 10.275 1.00 0.36 H new ATOM 0 HG LEU A 601 2.278 6.135 10.364 1.00 0.34 H new ATOM 0 HD11 LEU A 601 -0.004 5.316 10.849 1.00 0.46 H new ATOM 0 HD12 LEU A 601 0.551 6.474 12.081 1.00 0.46 H new ATOM 0 HD13 LEU A 601 -0.603 6.992 10.830 1.00 0.46 H new ATOM 0 HD21 LEU A 601 0.782 5.500 8.516 1.00 0.32 H new ATOM 0 HD22 LEU A 601 0.194 7.177 8.419 1.00 0.32 H new ATOM 0 HD23 LEU A 601 1.894 6.807 8.044 1.00 0.32 H new ATOM 1640 N LYS A 602 3.266 11.059 8.707 1.00 0.41 N ATOM 1641 CA LYS A 602 3.322 12.514 8.801 1.00 0.48 C ATOM 1642 C LYS A 602 1.914 13.101 8.881 1.00 0.46 C ATOM 1643 O LYS A 602 1.729 14.264 9.242 1.00 0.51 O ATOM 1644 CB LYS A 602 4.066 13.085 7.589 1.00 0.59 C ATOM 1645 CG LYS A 602 5.497 12.583 7.471 1.00 0.69 C ATOM 1646 CD LYS A 602 6.191 13.121 6.229 1.00 0.93 C ATOM 1647 CE LYS A 602 7.573 12.508 6.064 1.00 1.49 C ATOM 1648 NZ LYS A 602 8.253 12.976 4.825 1.00 1.73 N ATOM 0 H LYS A 602 3.443 10.691 7.772 1.00 0.41 H new ATOM 0 HA LYS A 602 3.859 12.786 9.710 1.00 0.48 H new ATOM 0 HB2 LYS A 602 3.521 12.825 6.681 1.00 0.59 H new ATOM 0 HB3 LYS A 602 4.074 14.173 7.656 1.00 0.59 H new ATOM 0 HG2 LYS A 602 6.059 12.879 8.357 1.00 0.69 H new ATOM 0 HG3 LYS A 602 5.497 11.493 7.443 1.00 0.69 H new ATOM 0 HD2 LYS A 602 5.586 12.904 5.348 1.00 0.93 H new ATOM 0 HD3 LYS A 602 6.277 14.205 6.298 1.00 0.93 H new ATOM 0 HE2 LYS A 602 8.186 12.760 6.930 1.00 1.49 H new ATOM 0 HE3 LYS A 602 7.486 11.422 6.040 1.00 1.49 H new ATOM 0 HZ1 LYS A 602 9.191 12.532 4.755 1.00 1.73 H new ATOM 0 HZ2 LYS A 602 7.683 12.713 3.996 1.00 1.73 H new ATOM 0 HZ3 LYS A 602 8.361 14.010 4.858 1.00 1.73 H new ATOM 1662 N LYS A 603 0.928 12.285 8.541 1.00 0.44 N ATOM 1663 CA LYS A 603 -0.466 12.699 8.587 1.00 0.48 C ATOM 1664 C LYS A 603 -1.238 11.810 9.557 1.00 0.54 C ATOM 1665 O LYS A 603 -0.819 10.684 9.834 1.00 0.62 O ATOM 1666 CB LYS A 603 -1.089 12.636 7.186 1.00 0.58 C ATOM 1667 CG LYS A 603 -0.473 13.612 6.195 1.00 0.65 C ATOM 1668 CD LYS A 603 -0.569 15.047 6.691 1.00 0.79 C ATOM 1669 CE LYS A 603 0.062 16.027 5.716 1.00 0.90 C ATOM 1670 NZ LYS A 603 -0.721 16.152 4.457 1.00 1.69 N ATOM 0 H LYS A 603 1.069 11.325 8.228 1.00 0.44 H new ATOM 0 HA LYS A 603 -0.518 13.730 8.937 1.00 0.48 H new ATOM 0 HB2 LYS A 603 -0.984 11.623 6.797 1.00 0.58 H new ATOM 0 HB3 LYS A 603 -2.157 12.838 7.264 1.00 0.58 H new ATOM 0 HG2 LYS A 603 0.573 13.353 6.030 1.00 0.65 H new ATOM 0 HG3 LYS A 603 -0.979 13.524 5.234 1.00 0.65 H new ATOM 0 HD2 LYS A 603 -1.616 15.309 6.843 1.00 0.79 H new ATOM 0 HD3 LYS A 603 -0.076 15.130 7.660 1.00 0.79 H new ATOM 0 HE2 LYS A 603 0.144 17.005 6.189 1.00 0.90 H new ATOM 0 HE3 LYS A 603 1.075 15.701 5.481 1.00 0.90 H new ATOM 0 HZ1 LYS A 603 -0.291 16.880 3.851 1.00 1.69 H new ATOM 0 HZ2 LYS A 603 -0.721 15.241 3.956 1.00 1.69 H new ATOM 0 HZ3 LYS A 603 -1.699 16.423 4.682 1.00 1.69 H new ATOM 1727 N ASN A 607 -8.866 4.609 12.350 1.00 0.65 N ATOM 1728 CA ASN A 607 -8.902 3.222 12.800 1.00 0.48 C ATOM 1729 C ASN A 607 -9.036 2.269 11.622 1.00 0.43 C ATOM 1730 O ASN A 607 -10.006 2.323 10.862 1.00 0.60 O ATOM 1731 CB ASN A 607 -10.063 3.020 13.780 1.00 0.59 C ATOM 1732 CG ASN A 607 -10.234 1.574 14.213 1.00 0.79 C ATOM 1733 OD1 ASN A 607 -9.282 0.799 14.242 1.00 1.28 O ATOM 1734 ND2 ASN A 607 -11.458 1.205 14.564 1.00 1.33 N ATOM 0 HA ASN A 607 -7.963 3.002 13.307 1.00 0.48 H new ATOM 0 HB2 ASN A 607 -9.898 3.640 14.661 1.00 0.59 H new ATOM 0 HB3 ASN A 607 -10.987 3.365 13.316 1.00 0.59 H new ATOM 0 HD21 ASN A 607 -11.634 0.248 14.871 1.00 1.33 H new ATOM 0 HD22 ASN A 607 -12.224 1.878 14.527 1.00 1.33 H new ATOM 1741 N VAL A 608 -8.060 1.389 11.495 1.00 0.30 N ATOM 1742 CA VAL A 608 -7.968 0.494 10.362 1.00 0.22 C ATOM 1743 C VAL A 608 -8.735 -0.805 10.629 1.00 0.21 C ATOM 1744 O VAL A 608 -9.138 -1.506 9.701 1.00 0.21 O ATOM 1745 CB VAL A 608 -6.484 0.217 10.021 1.00 0.19 C ATOM 1746 CG1 VAL A 608 -6.345 -0.801 8.909 1.00 0.19 C ATOM 1747 CG2 VAL A 608 -5.779 1.515 9.638 1.00 0.27 C ATOM 0 H VAL A 608 -7.309 1.276 12.176 1.00 0.30 H new ATOM 0 HA VAL A 608 -8.430 0.972 9.499 1.00 0.22 H new ATOM 0 HB VAL A 608 -6.013 -0.199 10.912 1.00 0.19 H new ATOM 0 HG11 VAL A 608 -5.289 -0.968 8.699 1.00 0.19 H new ATOM 0 HG12 VAL A 608 -6.807 -1.740 9.215 1.00 0.19 H new ATOM 0 HG13 VAL A 608 -6.839 -0.429 8.011 1.00 0.19 H new ATOM 0 HG21 VAL A 608 -4.736 1.306 9.401 1.00 0.27 H new ATOM 0 HG22 VAL A 608 -6.269 1.952 8.768 1.00 0.27 H new ATOM 0 HG23 VAL A 608 -5.828 2.215 10.472 1.00 0.27 H new ATOM 1757 N ALA A 609 -8.970 -1.109 11.901 1.00 0.28 N ATOM 1758 CA ALA A 609 -9.800 -2.256 12.266 1.00 0.33 C ATOM 1759 C ALA A 609 -11.228 -2.048 11.767 1.00 0.32 C ATOM 1760 O ALA A 609 -11.913 -2.991 11.348 1.00 0.32 O ATOM 1761 CB ALA A 609 -9.784 -2.472 13.772 1.00 0.44 C ATOM 0 H ALA A 609 -8.601 -0.583 12.693 1.00 0.28 H new ATOM 0 HA ALA A 609 -9.391 -3.148 11.792 1.00 0.33 H new ATOM 0 HB1 ALA A 609 -10.408 -3.330 14.023 1.00 0.44 H new ATOM 0 HB2 ALA A 609 -8.762 -2.657 14.102 1.00 0.44 H new ATOM 0 HB3 ALA A 609 -10.171 -1.584 14.271 1.00 0.44 H new ATOM 1767 N ALA A 610 -11.662 -0.793 11.787 1.00 0.33 N ATOM 1768 CA ALA A 610 -12.966 -0.423 11.258 1.00 0.35 C ATOM 1769 C ALA A 610 -13.001 -0.649 9.752 1.00 0.30 C ATOM 1770 O ALA A 610 -14.058 -0.892 9.169 1.00 0.31 O ATOM 1771 CB ALA A 610 -13.281 1.027 11.587 1.00 0.40 C ATOM 0 H ALA A 610 -11.126 -0.013 12.166 1.00 0.33 H new ATOM 0 HA ALA A 610 -13.725 -1.051 11.724 1.00 0.35 H new ATOM 0 HB1 ALA A 610 -14.260 1.287 11.184 1.00 0.40 H new ATOM 0 HB2 ALA A 610 -13.286 1.162 12.669 1.00 0.40 H new ATOM 0 HB3 ALA A 610 -12.523 1.673 11.145 1.00 0.40 H new ATOM 1777 N ILE A 611 -11.831 -0.568 9.128 1.00 0.25 N ATOM 1778 CA ILE A 611 -11.707 -0.805 7.700 1.00 0.23 C ATOM 1779 C ILE A 611 -11.879 -2.299 7.402 1.00 0.22 C ATOM 1780 O ILE A 611 -12.346 -2.680 6.332 1.00 0.23 O ATOM 1781 CB ILE A 611 -10.355 -0.284 7.152 1.00 0.20 C ATOM 1782 CG1 ILE A 611 -10.241 1.219 7.410 1.00 0.24 C ATOM 1783 CG2 ILE A 611 -10.235 -0.567 5.660 1.00 0.22 C ATOM 1784 CD1 ILE A 611 -8.915 1.811 6.991 1.00 0.23 C ATOM 0 H ILE A 611 -10.953 -0.339 9.594 1.00 0.25 H new ATOM 0 HA ILE A 611 -12.496 -0.250 7.192 1.00 0.23 H new ATOM 0 HB ILE A 611 -9.546 -0.802 7.666 1.00 0.20 H new ATOM 0 HG12 ILE A 611 -11.042 1.731 6.877 1.00 0.24 H new ATOM 0 HG13 ILE A 611 -10.393 1.408 8.473 1.00 0.24 H new ATOM 0 HG21 ILE A 611 -9.278 -0.193 5.295 1.00 0.22 H new ATOM 0 HG22 ILE A 611 -10.295 -1.642 5.488 1.00 0.22 H new ATOM 0 HG23 ILE A 611 -11.046 -0.069 5.129 1.00 0.22 H new ATOM 0 HD11 ILE A 611 -8.910 2.880 7.205 1.00 0.23 H new ATOM 0 HD12 ILE A 611 -8.110 1.326 7.543 1.00 0.23 H new ATOM 0 HD13 ILE A 611 -8.768 1.654 5.922 1.00 0.23 H new ATOM 1796 N ILE A 612 -11.505 -3.149 8.362 1.00 0.22 N ATOM 1797 CA ILE A 612 -11.784 -4.582 8.256 1.00 0.24 C ATOM 1798 C ILE A 612 -13.291 -4.804 8.189 1.00 0.27 C ATOM 1799 O ILE A 612 -13.784 -5.576 7.363 1.00 0.28 O ATOM 1800 CB ILE A 612 -11.219 -5.379 9.455 1.00 0.26 C ATOM 1801 CG1 ILE A 612 -9.718 -5.131 9.612 1.00 0.26 C ATOM 1802 CG2 ILE A 612 -11.491 -6.868 9.275 1.00 0.31 C ATOM 1803 CD1 ILE A 612 -9.115 -5.791 10.834 1.00 0.31 C ATOM 0 H ILE A 612 -11.014 -2.873 9.212 1.00 0.22 H new ATOM 0 HA ILE A 612 -11.296 -4.941 7.350 1.00 0.24 H new ATOM 0 HB ILE A 612 -11.720 -5.036 10.360 1.00 0.26 H new ATOM 0 HG12 ILE A 612 -9.204 -5.495 8.723 1.00 0.26 H new ATOM 0 HG13 ILE A 612 -9.540 -4.057 9.665 1.00 0.26 H new ATOM 0 HG21 ILE A 612 -11.088 -7.417 10.126 1.00 0.31 H new ATOM 0 HG22 ILE A 612 -12.566 -7.036 9.211 1.00 0.31 H new ATOM 0 HG23 ILE A 612 -11.014 -7.217 8.359 1.00 0.31 H new ATOM 0 HD11 ILE A 612 -8.048 -5.570 10.878 1.00 0.31 H new ATOM 0 HD12 ILE A 612 -9.602 -5.409 11.731 1.00 0.31 H new ATOM 0 HD13 ILE A 612 -9.260 -6.870 10.774 1.00 0.31 H new ATOM 1815 N GLN A 613 -14.023 -4.093 9.045 1.00 0.31 N ATOM 1816 CA GLN A 613 -15.485 -4.125 9.006 1.00 0.35 C ATOM 1817 C GLN A 613 -15.990 -3.574 7.675 1.00 0.34 C ATOM 1818 O GLN A 613 -17.002 -4.024 7.141 1.00 0.37 O ATOM 1819 CB GLN A 613 -16.078 -3.309 10.154 1.00 0.41 C ATOM 1820 CG GLN A 613 -15.889 -3.940 11.522 1.00 0.49 C ATOM 1821 CD GLN A 613 -16.492 -5.326 11.605 1.00 1.37 C ATOM 1822 OE1 GLN A 613 -17.678 -5.481 11.894 1.00 1.97 O ATOM 1823 NE2 GLN A 613 -15.678 -6.343 11.383 1.00 2.31 N ATOM 0 H GLN A 613 -13.632 -3.491 9.770 1.00 0.31 H new ATOM 0 HA GLN A 613 -15.802 -5.162 9.112 1.00 0.35 H new ATOM 0 HB2 GLN A 613 -15.622 -2.319 10.156 1.00 0.41 H new ATOM 0 HB3 GLN A 613 -17.144 -3.169 9.974 1.00 0.41 H new ATOM 0 HG2 GLN A 613 -14.825 -3.995 11.750 1.00 0.49 H new ATOM 0 HG3 GLN A 613 -16.344 -3.302 12.280 1.00 0.49 H new ATOM 0 HE21 GLN A 613 -14.701 -6.172 11.146 1.00 2.31 H new ATOM 0 HE22 GLN A 613 -16.027 -7.299 11.449 1.00 2.31 H new ATOM 1832 N ASP A 614 -15.247 -2.617 7.147 1.00 0.33 N ATOM 1833 CA ASP A 614 -15.574 -1.981 5.875 1.00 0.33 C ATOM 1834 C ASP A 614 -15.468 -2.989 4.732 1.00 0.30 C ATOM 1835 O ASP A 614 -16.353 -3.080 3.883 1.00 0.34 O ATOM 1836 CB ASP A 614 -14.637 -0.793 5.639 1.00 0.36 C ATOM 1837 CG ASP A 614 -14.861 -0.107 4.311 1.00 0.95 C ATOM 1838 OD1 ASP A 614 -14.008 -0.255 3.410 1.00 1.95 O ATOM 1839 OD2 ASP A 614 -15.905 0.555 4.152 1.00 1.09 O ATOM 0 H ASP A 614 -14.399 -2.256 7.585 1.00 0.33 H new ATOM 0 HA ASP A 614 -16.601 -1.618 5.910 1.00 0.33 H new ATOM 0 HB2 ASP A 614 -14.772 -0.068 6.442 1.00 0.36 H new ATOM 0 HB3 ASP A 614 -13.604 -1.138 5.692 1.00 0.36 H new ATOM 1844 N ILE A 615 -14.391 -3.768 4.742 1.00 0.26 N ATOM 1845 CA ILE A 615 -14.174 -4.806 3.742 1.00 0.27 C ATOM 1846 C ILE A 615 -15.266 -5.868 3.811 1.00 0.32 C ATOM 1847 O ILE A 615 -15.810 -6.278 2.789 1.00 0.35 O ATOM 1848 CB ILE A 615 -12.805 -5.484 3.934 1.00 0.24 C ATOM 1849 CG1 ILE A 615 -11.687 -4.460 3.776 1.00 0.20 C ATOM 1850 CG2 ILE A 615 -12.621 -6.631 2.949 1.00 0.29 C ATOM 1851 CD1 ILE A 615 -10.324 -5.002 4.108 1.00 0.18 C ATOM 0 H ILE A 615 -13.649 -3.698 5.439 1.00 0.26 H new ATOM 0 HA ILE A 615 -14.201 -4.322 2.766 1.00 0.27 H new ATOM 0 HB ILE A 615 -12.765 -5.897 4.942 1.00 0.24 H new ATOM 0 HG12 ILE A 615 -11.683 -4.094 2.749 1.00 0.20 H new ATOM 0 HG13 ILE A 615 -11.895 -3.605 4.419 1.00 0.20 H new ATOM 0 HG21 ILE A 615 -11.646 -7.093 3.106 1.00 0.29 H new ATOM 0 HG22 ILE A 615 -13.403 -7.374 3.105 1.00 0.29 H new ATOM 0 HG23 ILE A 615 -12.682 -6.249 1.930 1.00 0.29 H new ATOM 0 HD11 ILE A 615 -9.578 -4.219 3.973 1.00 0.18 H new ATOM 0 HD12 ILE A 615 -10.310 -5.342 5.144 1.00 0.18 H new ATOM 0 HD13 ILE A 615 -10.095 -5.839 3.448 1.00 0.18 H new ATOM 1863 N HIS A 616 -15.582 -6.302 5.025 1.00 0.37 N ATOM 1864 CA HIS A 616 -16.605 -7.324 5.229 1.00 0.46 C ATOM 1865 C HIS A 616 -17.980 -6.820 4.810 1.00 0.44 C ATOM 1866 O HIS A 616 -18.810 -7.587 4.323 1.00 0.46 O ATOM 1867 CB HIS A 616 -16.639 -7.780 6.688 1.00 0.59 C ATOM 1868 CG HIS A 616 -15.552 -8.746 7.047 1.00 0.70 C ATOM 1869 ND1 HIS A 616 -15.796 -10.058 7.386 1.00 1.26 N ATOM 1870 CD2 HIS A 616 -14.211 -8.584 7.126 1.00 0.76 C ATOM 1871 CE1 HIS A 616 -14.655 -10.661 7.658 1.00 1.24 C ATOM 1872 NE2 HIS A 616 -13.675 -9.788 7.507 1.00 0.82 N ATOM 0 H HIS A 616 -15.146 -5.964 5.883 1.00 0.37 H new ATOM 0 HA HIS A 616 -16.344 -8.176 4.601 1.00 0.46 H new ATOM 0 HB2 HIS A 616 -16.562 -6.905 7.334 1.00 0.59 H new ATOM 0 HB3 HIS A 616 -17.605 -8.243 6.892 1.00 0.59 H new ATOM 0 HD2 HIS A 616 -13.664 -7.675 6.926 1.00 0.76 H new ATOM 0 HE1 HIS A 616 -14.541 -11.693 7.954 1.00 1.24 H new ATOM 0 HE2 HIS A 616 -12.683 -9.978 7.650 1.00 0.82 H new ATOM 1881 N SER A 617 -18.210 -5.527 4.987 1.00 0.45 N ATOM 1882 CA SER A 617 -19.473 -4.919 4.618 1.00 0.51 C ATOM 1883 C SER A 617 -19.603 -4.846 3.098 1.00 0.49 C ATOM 1884 O SER A 617 -20.687 -5.043 2.544 1.00 0.57 O ATOM 1885 CB SER A 617 -19.581 -3.519 5.235 1.00 0.58 C ATOM 1886 OG SER A 617 -20.864 -2.958 5.025 1.00 1.18 O ATOM 0 H SER A 617 -17.532 -4.878 5.387 1.00 0.45 H new ATOM 0 HA SER A 617 -20.287 -5.534 5.003 1.00 0.51 H new ATOM 0 HB2 SER A 617 -19.377 -3.575 6.304 1.00 0.58 H new ATOM 0 HB3 SER A 617 -18.822 -2.869 4.800 1.00 0.58 H new ATOM 0 HG SER A 617 -20.902 -2.067 5.431 1.00 1.18 H new