USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=26 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 140:sc= -0.0542 USER MOD Set 1.2: A 584 ASN : amide:sc=-0.00876 X(o=-0.063,f=-0.19) USER MOD Set 2.1: A 553 MET CE :methyl -124:sc= -0.547 (180deg=-0.0753) USER MOD Set 2.2: A 556 THR OG1 : rot 13:sc= -0.232 USER MOD Set 3.1: A 535 ASN : amide:sc= -1.13 K(o=-4.9,f=-8!) USER MOD Set 3.2: A 539 ASN :FLIP amide:sc= -3.76! F(o=-6.1,f=-4.9!) USER MOD Set 4.1: A 523 HIS : no HE2:sc= -2.77! C(o=-1.2!,f=-10!) USER MOD Set 4.2: A 525 CYS SG : rot 57:sc= 1.51 USER MOD Set 4.3: A 558 GLN :FLIP amide:sc= 0.085 F(o=-2,f=-1.2) USER MOD Single : A 526 ASN : amide:sc= 1.11 K(o=1.1,f=-0.73) USER MOD Single : A 532 CYS SG : rot 16:sc= -0.0171 USER MOD Single : A 533 THR OG1 : rot 168:sc= 0.588 USER MOD Single : A 546 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 548 THR OG1 : rot 107:sc= 1.28 USER MOD Single : A 549 ASN : amide:sc= -1.9! C(o=-1.9!,f=-4.7!) USER MOD Single : A 550 TYR OH : rot 180:sc= 0 USER MOD Single : A 554 LYS NZ :NH3+ 164:sc= -0.061 (180deg=-0.292) USER MOD Single : A 555 SER OG : rot 180:sc= 0 USER MOD Single : A 557 ASN : amide:sc= 0.516 K(o=0.52,f=0) USER MOD Single : A 563 MET CE :methyl -177:sc= -5.68! (180deg=-5.88!) 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=-0.6) USER MOD Single : A 572 MET CE :methyl 155:sc= -3.75 (180deg=-5.15!) USER MOD Single : A 574 GLN : amide:sc= -1.84! C(o=-1.8!,f=-6.9!) USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 TYR OH : rot 180:sc= -0.0203 USER MOD Single : A 577 GLN : amide:sc= 0.368 K(o=0.37,f=-10!) USER MOD Single : A 579 LYS NZ :NH3+ 169:sc= -0.0117 (180deg=-0.135) USER MOD Single : A 587 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 592 MET CE :methyl 150:sc= -0.0283 (180deg=-0.584) USER MOD Single : A 593 SER OG : rot -6:sc= -1.72 USER MOD Single : A 594 THR OG1 : rot 180:sc= 0.00807 USER MOD Single : A 596 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 170:sc= -0.0165 (180deg=-0.151) USER MOD Single : A 607 ASN : amide:sc= -0.0267 K(o=-0.027,f=-2.8) USER MOD Single : A 613 GLN : amide:sc= -1.83! C(o=-1.8!,f=-6.7!) USER MOD Single : A 616 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 617 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 321 N ARG A 520 8.936 -2.460 7.609 1.00 0.46 N ATOM 322 CA ARG A 520 8.538 -2.865 6.272 1.00 0.40 C ATOM 323 C ARG A 520 7.912 -1.708 5.512 1.00 0.34 C ATOM 324 O ARG A 520 7.061 -0.990 6.035 1.00 0.36 O ATOM 325 CB ARG A 520 7.544 -4.026 6.363 1.00 0.44 C ATOM 326 CG ARG A 520 8.114 -5.258 7.047 1.00 0.56 C ATOM 327 CD ARG A 520 7.018 -6.177 7.555 1.00 0.64 C ATOM 328 NE ARG A 520 6.159 -5.505 8.531 1.00 0.93 N ATOM 329 CZ ARG A 520 6.147 -5.774 9.840 1.00 1.70 C ATOM 330 NH1 ARG A 520 6.887 -6.762 10.334 1.00 2.13 N ATOM 331 NH2 ARG A 520 5.374 -5.064 10.654 1.00 2.22 N ATOM 0 HA ARG A 520 9.428 -3.184 5.730 1.00 0.40 H new ATOM 0 HB2 ARG A 520 6.659 -3.695 6.906 1.00 0.44 H new ATOM 0 HB3 ARG A 520 7.219 -4.295 5.358 1.00 0.44 H new ATOM 0 HG2 ARG A 520 8.749 -5.801 6.347 1.00 0.56 H new ATOM 0 HG3 ARG A 520 8.747 -4.952 7.880 1.00 0.56 H new ATOM 0 HD2 ARG A 520 6.414 -6.523 6.716 1.00 0.64 H new ATOM 0 HD3 ARG A 520 7.466 -7.060 8.011 1.00 0.64 H new ATOM 0 HE ARG A 520 5.526 -4.782 8.189 1.00 0.93 H new ATOM 0 HH11 ARG A 520 7.470 -7.322 9.712 1.00 2.13 H new ATOM 0 HH12 ARG A 520 6.871 -6.960 11.335 1.00 2.13 H new ATOM 0 HH21 ARG A 520 4.791 -4.315 10.280 1.00 2.22 H new ATOM 0 HH22 ARG A 520 5.363 -5.268 11.653 1.00 2.22 H new ATOM 345 N VAL A 521 8.352 -1.532 4.274 1.00 0.29 N ATOM 346 CA VAL A 521 7.741 -0.579 3.365 1.00 0.24 C ATOM 347 C VAL A 521 7.153 -1.296 2.163 1.00 0.21 C ATOM 348 O VAL A 521 7.871 -1.979 1.423 1.00 0.23 O ATOM 349 CB VAL A 521 8.741 0.493 2.891 1.00 0.26 C ATOM 350 CG1 VAL A 521 8.109 1.436 1.890 1.00 0.27 C ATOM 351 CG2 VAL A 521 9.271 1.272 4.068 1.00 0.32 C ATOM 0 H VAL A 521 9.139 -2.044 3.875 1.00 0.29 H new ATOM 0 HA VAL A 521 6.947 -0.075 3.916 1.00 0.24 H new ATOM 0 HB VAL A 521 9.567 -0.020 2.398 1.00 0.26 H new ATOM 0 HG11 VAL A 521 8.842 2.179 1.577 1.00 0.27 H new ATOM 0 HG12 VAL A 521 7.771 0.871 1.021 1.00 0.27 H new ATOM 0 HG13 VAL A 521 7.258 1.938 2.350 1.00 0.27 H new ATOM 0 HG21 VAL A 521 9.976 2.026 3.718 1.00 0.32 H new ATOM 0 HG22 VAL A 521 8.444 1.761 4.583 1.00 0.32 H new ATOM 0 HG23 VAL A 521 9.777 0.594 4.755 1.00 0.32 H new ATOM 361 N VAL A 522 5.858 -1.148 1.972 1.00 0.20 N ATOM 362 CA VAL A 522 5.191 -1.710 0.814 1.00 0.18 C ATOM 363 C VAL A 522 4.527 -0.576 0.050 1.00 0.18 C ATOM 364 O VAL A 522 3.715 0.157 0.615 1.00 0.19 O ATOM 365 CB VAL A 522 4.137 -2.755 1.233 1.00 0.20 C ATOM 366 CG1 VAL A 522 3.572 -3.479 0.025 1.00 0.21 C ATOM 367 CG2 VAL A 522 4.726 -3.742 2.225 1.00 0.22 C ATOM 0 H VAL A 522 5.243 -0.640 2.608 1.00 0.20 H new ATOM 0 HA VAL A 522 5.923 -2.216 0.184 1.00 0.18 H new ATOM 0 HB VAL A 522 3.317 -2.227 1.719 1.00 0.20 H new ATOM 0 HG11 VAL A 522 2.832 -4.209 0.352 1.00 0.21 H new ATOM 0 HG12 VAL A 522 3.100 -2.759 -0.643 1.00 0.21 H new ATOM 0 HG13 VAL A 522 4.377 -3.990 -0.502 1.00 0.21 H new ATOM 0 HG21 VAL A 522 3.966 -4.471 2.508 1.00 0.22 H new ATOM 0 HG22 VAL A 522 5.571 -4.257 1.768 1.00 0.22 H new ATOM 0 HG23 VAL A 522 5.064 -3.208 3.113 1.00 0.22 H new ATOM 377 N HIS A 523 4.877 -0.397 -1.213 1.00 0.18 N ATOM 378 CA HIS A 523 4.378 0.733 -1.976 1.00 0.18 C ATOM 379 C HIS A 523 3.320 0.283 -2.972 1.00 0.17 C ATOM 380 O HIS A 523 3.498 -0.702 -3.688 1.00 0.18 O ATOM 381 CB HIS A 523 5.540 1.410 -2.714 1.00 0.20 C ATOM 382 CG HIS A 523 5.173 2.672 -3.438 1.00 0.25 C ATOM 383 ND1 HIS A 523 4.753 2.693 -4.748 1.00 0.39 N ATOM 384 CD2 HIS A 523 5.196 3.964 -3.035 1.00 0.30 C ATOM 385 CE1 HIS A 523 4.536 3.940 -5.118 1.00 0.44 C ATOM 386 NE2 HIS A 523 4.799 4.734 -4.098 1.00 0.37 N ATOM 0 H HIS A 523 5.502 -1.017 -1.729 1.00 0.18 H new ATOM 0 HA HIS A 523 3.921 1.445 -1.289 1.00 0.18 H new ATOM 0 HB2 HIS A 523 6.327 1.636 -1.995 1.00 0.20 H new ATOM 0 HB3 HIS A 523 5.957 0.704 -3.432 1.00 0.20 H new ATOM 0 HD1 HIS A 523 4.629 1.872 -5.341 1.00 0.39 H new ATOM 0 HD2 HIS A 523 5.476 4.323 -2.056 1.00 0.30 H new ATOM 0 HE1 HIS A 523 4.199 4.258 -6.094 1.00 0.44 H new ATOM 395 N ILE A 524 2.231 1.024 -3.016 1.00 0.16 N ATOM 396 CA ILE A 524 1.148 0.763 -3.941 1.00 0.16 C ATOM 397 C ILE A 524 1.108 1.888 -4.964 1.00 0.17 C ATOM 398 O ILE A 524 1.288 3.053 -4.615 1.00 0.19 O ATOM 399 CB ILE A 524 -0.198 0.657 -3.193 1.00 0.17 C ATOM 400 CG1 ILE A 524 -0.058 -0.360 -2.052 1.00 0.16 C ATOM 401 CG2 ILE A 524 -1.323 0.266 -4.146 1.00 0.18 C ATOM 402 CD1 ILE A 524 -1.339 -0.640 -1.301 1.00 0.18 C ATOM 0 H ILE A 524 2.072 1.828 -2.408 1.00 0.16 H new ATOM 0 HA ILE A 524 1.316 -0.189 -4.445 1.00 0.16 H new ATOM 0 HB ILE A 524 -0.456 1.630 -2.774 1.00 0.17 H new ATOM 0 HG12 ILE A 524 0.320 -1.297 -2.462 1.00 0.16 H new ATOM 0 HG13 ILE A 524 0.689 0.004 -1.347 1.00 0.16 H new ATOM 0 HG21 ILE A 524 -2.260 0.198 -3.594 1.00 0.18 H new ATOM 0 HG22 ILE A 524 -1.416 1.020 -4.928 1.00 0.18 H new ATOM 0 HG23 ILE A 524 -1.098 -0.700 -4.598 1.00 0.18 H new ATOM 0 HD11 ILE A 524 -1.147 -1.369 -0.514 1.00 0.18 H new ATOM 0 HD12 ILE A 524 -1.710 0.284 -0.858 1.00 0.18 H new ATOM 0 HD13 ILE A 524 -2.085 -1.037 -1.989 1.00 0.18 H new ATOM 414 N CYS A 525 0.905 1.553 -6.223 1.00 0.17 N ATOM 415 CA CYS A 525 1.056 2.535 -7.281 1.00 0.18 C ATOM 416 C CYS A 525 -0.118 2.505 -8.245 1.00 0.15 C ATOM 417 O CYS A 525 -0.853 1.517 -8.304 1.00 0.16 O ATOM 418 CB CYS A 525 2.347 2.254 -8.055 1.00 0.29 C ATOM 419 SG CYS A 525 3.562 1.274 -7.141 1.00 1.17 S ATOM 0 H CYS A 525 0.638 0.620 -6.537 1.00 0.17 H new ATOM 0 HA CYS A 525 1.094 3.522 -6.820 1.00 0.18 H new ATOM 0 HB2 CYS A 525 2.097 1.732 -8.979 1.00 0.29 H new ATOM 0 HB3 CYS A 525 2.802 3.203 -8.338 1.00 0.29 H new ATOM 0 HG CYS A 525 3.028 0.144 -6.784 1.00 1.17 H new ATOM 425 N ASN A 526 -0.278 3.618 -8.967 1.00 0.15 N ATOM 426 CA ASN A 526 -1.246 3.754 -10.065 1.00 0.16 C ATOM 427 C ASN A 526 -2.621 4.132 -9.538 1.00 0.15 C ATOM 428 O ASN A 526 -3.643 3.808 -10.140 1.00 0.18 O ATOM 429 CB ASN A 526 -1.340 2.485 -10.933 1.00 0.19 C ATOM 430 CG ASN A 526 -0.032 2.132 -11.620 1.00 0.21 C ATOM 431 OD1 ASN A 526 0.797 2.998 -11.893 1.00 0.22 O ATOM 432 ND2 ASN A 526 0.155 0.855 -11.917 1.00 0.26 N ATOM 0 H ASN A 526 0.268 4.464 -8.804 1.00 0.15 H new ATOM 0 HA ASN A 526 -0.877 4.557 -10.703 1.00 0.16 H new ATOM 0 HB2 ASN A 526 -1.653 1.648 -10.309 1.00 0.19 H new ATOM 0 HB3 ASN A 526 -2.113 2.626 -11.688 1.00 0.19 H new ATOM 0 HD21 ASN A 526 1.010 0.561 -12.389 1.00 0.26 H new ATOM 0 HD22 ASN A 526 -0.556 0.165 -11.674 1.00 0.26 H new ATOM 439 N LEU A 527 -2.636 4.859 -8.431 1.00 0.15 N ATOM 440 CA LEU A 527 -3.884 5.293 -7.826 1.00 0.17 C ATOM 441 C LEU A 527 -4.364 6.572 -8.501 1.00 0.22 C ATOM 442 O LEU A 527 -3.620 7.549 -8.586 1.00 0.25 O ATOM 443 CB LEU A 527 -3.705 5.520 -6.322 1.00 0.15 C ATOM 444 CG LEU A 527 -3.508 4.255 -5.486 1.00 0.16 C ATOM 445 CD1 LEU A 527 -3.123 4.613 -4.061 1.00 0.18 C ATOM 446 CD2 LEU A 527 -4.774 3.421 -5.486 1.00 0.21 C ATOM 0 H LEU A 527 -1.798 5.160 -7.934 1.00 0.15 H new ATOM 0 HA LEU A 527 -4.632 4.513 -7.965 1.00 0.17 H new ATOM 0 HB2 LEU A 527 -2.845 6.173 -6.170 1.00 0.15 H new ATOM 0 HB3 LEU A 527 -4.579 6.051 -5.945 1.00 0.15 H new ATOM 0 HG LEU A 527 -2.701 3.672 -5.931 1.00 0.16 H new ATOM 0 HD11 LEU A 527 -2.987 3.700 -3.481 1.00 0.18 H new ATOM 0 HD12 LEU A 527 -2.193 5.181 -4.067 1.00 0.18 H new ATOM 0 HD13 LEU A 527 -3.913 5.215 -3.611 1.00 0.18 H new ATOM 0 HD21 LEU A 527 -4.619 2.524 -4.887 1.00 0.21 H new ATOM 0 HD22 LEU A 527 -5.593 4.003 -5.063 1.00 0.21 H new ATOM 0 HD23 LEU A 527 -5.022 3.136 -6.508 1.00 0.21 H new ATOM 458 N PRO A 528 -5.605 6.590 -9.007 1.00 0.26 N ATOM 459 CA PRO A 528 -6.128 7.759 -9.704 1.00 0.33 C ATOM 460 C PRO A 528 -6.396 8.912 -8.743 1.00 0.34 C ATOM 461 O PRO A 528 -6.973 8.716 -7.673 1.00 0.32 O ATOM 462 CB PRO A 528 -7.446 7.271 -10.326 1.00 0.38 C ATOM 463 CG PRO A 528 -7.514 5.796 -10.076 1.00 0.37 C ATOM 464 CD PRO A 528 -6.583 5.498 -8.939 1.00 0.29 C ATOM 0 HA PRO A 528 -5.421 8.139 -10.441 1.00 0.33 H new ATOM 0 HB2 PRO A 528 -8.299 7.780 -9.877 1.00 0.38 H new ATOM 0 HB3 PRO A 528 -7.473 7.485 -11.394 1.00 0.38 H new ATOM 0 HG2 PRO A 528 -8.532 5.494 -9.830 1.00 0.37 H new ATOM 0 HG3 PRO A 528 -7.223 5.240 -10.968 1.00 0.37 H new ATOM 0 HD2 PRO A 528 -7.107 5.486 -7.983 1.00 0.29 H new ATOM 0 HD3 PRO A 528 -6.107 4.524 -9.054 1.00 0.29 H new ATOM 472 N GLU A 529 -5.973 10.107 -9.128 1.00 0.41 N ATOM 473 CA GLU A 529 -6.225 11.302 -8.336 1.00 0.46 C ATOM 474 C GLU A 529 -7.718 11.595 -8.322 1.00 0.47 C ATOM 475 O GLU A 529 -8.389 11.470 -9.352 1.00 0.53 O ATOM 476 CB GLU A 529 -5.441 12.486 -8.897 1.00 0.57 C ATOM 477 CG GLU A 529 -5.675 13.788 -8.147 1.00 0.66 C ATOM 478 CD GLU A 529 -4.953 14.961 -8.774 1.00 1.12 C ATOM 479 OE1 GLU A 529 -5.295 15.334 -9.917 1.00 1.60 O ATOM 480 OE2 GLU A 529 -4.056 15.533 -8.125 1.00 1.41 O ATOM 0 H GLU A 529 -5.451 10.275 -9.988 1.00 0.41 H new ATOM 0 HA GLU A 529 -5.891 11.135 -7.312 1.00 0.46 H new ATOM 0 HB2 GLU A 529 -4.377 12.250 -8.873 1.00 0.57 H new ATOM 0 HB3 GLU A 529 -5.712 12.626 -9.943 1.00 0.57 H new ATOM 0 HG2 GLU A 529 -6.744 13.998 -8.117 1.00 0.66 H new ATOM 0 HG3 GLU A 529 -5.344 13.673 -7.115 1.00 0.66 H new ATOM 487 N GLY A 530 -8.246 11.976 -7.168 1.00 0.46 N ATOM 488 CA GLY A 530 -9.679 12.112 -7.039 1.00 0.48 C ATOM 489 C GLY A 530 -10.315 10.781 -6.709 1.00 0.43 C ATOM 490 O GLY A 530 -11.538 10.650 -6.676 1.00 0.46 O ATOM 0 H GLY A 530 -7.712 12.191 -6.326 1.00 0.46 H new ATOM 0 HA2 GLY A 530 -9.912 12.835 -6.258 1.00 0.48 H new ATOM 0 HA3 GLY A 530 -10.097 12.500 -7.968 1.00 0.48 H new ATOM 494 N SER A 531 -9.469 9.781 -6.489 1.00 0.37 N ATOM 495 CA SER A 531 -9.918 8.421 -6.252 1.00 0.35 C ATOM 496 C SER A 531 -8.923 7.684 -5.355 1.00 0.28 C ATOM 497 O SER A 531 -9.011 6.472 -5.170 1.00 0.30 O ATOM 498 CB SER A 531 -10.065 7.687 -7.582 1.00 0.40 C ATOM 499 OG SER A 531 -10.932 8.390 -8.456 1.00 1.08 O ATOM 0 H SER A 531 -8.455 9.893 -6.471 1.00 0.37 H new ATOM 0 HA SER A 531 -10.885 8.450 -5.750 1.00 0.35 H new ATOM 0 HB2 SER A 531 -9.087 7.573 -8.049 1.00 0.40 H new ATOM 0 HB3 SER A 531 -10.454 6.684 -7.407 1.00 0.40 H new ATOM 0 HG SER A 531 -10.575 8.356 -9.368 1.00 1.08 H new ATOM 505 N CYS A 532 -7.972 8.427 -4.803 1.00 0.24 N ATOM 506 CA CYS A 532 -6.987 7.861 -3.894 1.00 0.20 C ATOM 507 C CYS A 532 -7.524 7.933 -2.477 1.00 0.18 C ATOM 508 O CYS A 532 -7.281 8.908 -1.765 1.00 0.21 O ATOM 509 CB CYS A 532 -5.663 8.633 -3.974 1.00 0.21 C ATOM 510 SG CYS A 532 -4.903 8.658 -5.609 1.00 0.25 S ATOM 0 H CYS A 532 -7.863 9.427 -4.971 1.00 0.24 H new ATOM 0 HA CYS A 532 -6.801 6.825 -4.178 1.00 0.20 H new ATOM 0 HB2 CYS A 532 -5.837 9.660 -3.653 1.00 0.21 H new ATOM 0 HB3 CYS A 532 -4.959 8.194 -3.268 1.00 0.21 H new ATOM 0 HG CYS A 532 -5.780 8.302 -6.501 1.00 0.25 H new ATOM 516 N THR A 533 -8.271 6.923 -2.069 1.00 0.17 N ATOM 517 CA THR A 533 -8.826 6.915 -0.733 1.00 0.18 C ATOM 518 C THR A 533 -8.046 5.954 0.140 1.00 0.17 C ATOM 519 O THR A 533 -7.532 4.946 -0.337 1.00 0.18 O ATOM 520 CB THR A 533 -10.305 6.490 -0.770 1.00 0.26 C ATOM 521 OG1 THR A 533 -10.411 5.169 -1.316 1.00 0.35 O ATOM 522 CG2 THR A 533 -11.127 7.457 -1.606 1.00 0.28 C ATOM 0 H THR A 533 -8.504 6.109 -2.637 1.00 0.17 H new ATOM 0 HA THR A 533 -8.757 7.921 -0.320 1.00 0.18 H new ATOM 0 HB THR A 533 -10.693 6.500 0.248 1.00 0.26 H new ATOM 0 HG1 THR A 533 -11.316 4.824 -1.164 1.00 0.35 H new ATOM 0 HG21 THR A 533 -12.168 7.135 -1.616 1.00 0.28 H new ATOM 0 HG22 THR A 533 -11.061 8.457 -1.176 1.00 0.28 H new ATOM 0 HG23 THR A 533 -10.742 7.474 -2.626 1.00 0.28 H new ATOM 530 N GLU A 534 -7.974 6.267 1.423 1.00 0.19 N ATOM 531 CA GLU A 534 -7.260 5.436 2.375 1.00 0.20 C ATOM 532 C GLU A 534 -7.978 4.116 2.549 1.00 0.19 C ATOM 533 O GLU A 534 -7.356 3.066 2.713 1.00 0.20 O ATOM 534 CB GLU A 534 -7.098 6.160 3.708 1.00 0.23 C ATOM 535 CG GLU A 534 -6.527 7.567 3.559 1.00 0.27 C ATOM 536 CD GLU A 534 -6.381 8.291 4.878 1.00 0.93 C ATOM 537 OE1 GLU A 534 -7.408 8.495 5.563 1.00 1.17 O ATOM 538 OE2 GLU A 534 -5.247 8.680 5.222 1.00 1.64 O ATOM 0 H GLU A 534 -8.405 7.097 1.830 1.00 0.19 H new ATOM 0 HA GLU A 534 -6.261 5.233 1.989 1.00 0.20 H new ATOM 0 HB2 GLU A 534 -8.067 6.218 4.203 1.00 0.23 H new ATOM 0 HB3 GLU A 534 -6.444 5.575 4.355 1.00 0.23 H new ATOM 0 HG2 GLU A 534 -5.553 7.508 3.074 1.00 0.27 H new ATOM 0 HG3 GLU A 534 -7.175 8.148 2.902 1.00 0.27 H new ATOM 545 N ASN A 535 -9.300 4.189 2.500 1.00 0.20 N ATOM 546 CA ASN A 535 -10.138 3.025 2.713 1.00 0.22 C ATOM 547 C ASN A 535 -9.840 1.945 1.684 1.00 0.21 C ATOM 548 O ASN A 535 -9.554 0.821 2.052 1.00 0.21 O ATOM 549 CB ASN A 535 -11.615 3.416 2.627 1.00 0.27 C ATOM 550 CG ASN A 535 -12.549 2.270 2.977 1.00 0.96 C ATOM 551 OD1 ASN A 535 -12.249 1.447 3.840 1.00 1.82 O ATOM 552 ND2 ASN A 535 -13.688 2.207 2.305 1.00 1.38 N ATOM 0 H ASN A 535 -9.815 5.049 2.313 1.00 0.20 H new ATOM 0 HA ASN A 535 -9.922 2.632 3.706 1.00 0.22 H new ATOM 0 HB2 ASN A 535 -11.805 4.252 3.300 1.00 0.27 H new ATOM 0 HB3 ASN A 535 -11.836 3.763 1.618 1.00 0.27 H new ATOM 0 HD21 ASN A 535 -14.352 1.457 2.496 1.00 1.38 H new ATOM 0 HD22 ASN A 535 -13.901 2.909 1.596 1.00 1.38 H new ATOM 559 N ASP A 536 -9.818 2.310 0.404 1.00 0.21 N ATOM 560 CA ASP A 536 -9.699 1.322 -0.674 1.00 0.22 C ATOM 561 C ASP A 536 -8.300 0.719 -0.746 1.00 0.17 C ATOM 562 O ASP A 536 -8.134 -0.480 -0.972 1.00 0.16 O ATOM 563 CB ASP A 536 -10.078 1.942 -2.018 1.00 0.27 C ATOM 564 CG ASP A 536 -11.576 2.102 -2.175 1.00 0.37 C ATOM 565 OD1 ASP A 536 -12.208 1.218 -2.788 1.00 0.44 O ATOM 566 OD2 ASP A 536 -12.136 3.106 -1.682 1.00 0.61 O ATOM 0 H ASP A 536 -9.880 3.277 0.086 1.00 0.21 H new ATOM 0 HA ASP A 536 -10.394 0.514 -0.447 1.00 0.22 H new ATOM 0 HB2 ASP A 536 -9.599 2.916 -2.114 1.00 0.27 H new ATOM 0 HB3 ASP A 536 -9.695 1.317 -2.825 1.00 0.27 H new ATOM 571 N VAL A 537 -7.305 1.571 -0.565 1.00 0.15 N ATOM 572 CA VAL A 537 -5.908 1.143 -0.578 1.00 0.13 C ATOM 573 C VAL A 537 -5.679 0.098 0.519 1.00 0.12 C ATOM 574 O VAL A 537 -5.127 -0.993 0.288 1.00 0.13 O ATOM 575 CB VAL A 537 -4.964 2.356 -0.392 1.00 0.12 C ATOM 576 CG1 VAL A 537 -3.504 1.955 -0.480 1.00 0.12 C ATOM 577 CG2 VAL A 537 -5.268 3.408 -1.440 1.00 0.13 C ATOM 0 H VAL A 537 -7.436 2.570 -0.406 1.00 0.15 H new ATOM 0 HA VAL A 537 -5.683 0.692 -1.544 1.00 0.13 H new ATOM 0 HB VAL A 537 -5.139 2.761 0.605 1.00 0.12 H new ATOM 0 HG11 VAL A 537 -2.876 2.836 -0.344 1.00 0.12 H new ATOM 0 HG12 VAL A 537 -3.279 1.226 0.298 1.00 0.12 H new ATOM 0 HG13 VAL A 537 -3.306 1.515 -1.457 1.00 0.12 H new ATOM 0 HG21 VAL A 537 -4.601 4.260 -1.305 1.00 0.13 H new ATOM 0 HG22 VAL A 537 -5.120 2.985 -2.434 1.00 0.13 H new ATOM 0 HG23 VAL A 537 -6.302 3.737 -1.336 1.00 0.13 H new ATOM 587 N ILE A 538 -6.158 0.416 1.704 1.00 0.12 N ATOM 588 CA ILE A 538 -6.118 -0.508 2.818 1.00 0.12 C ATOM 589 C ILE A 538 -7.049 -1.703 2.581 1.00 0.12 C ATOM 590 O ILE A 538 -6.769 -2.812 3.038 1.00 0.12 O ATOM 591 CB ILE A 538 -6.447 0.189 4.146 1.00 0.14 C ATOM 592 CG1 ILE A 538 -5.383 1.236 4.466 1.00 0.16 C ATOM 593 CG2 ILE A 538 -6.537 -0.831 5.265 1.00 0.14 C ATOM 594 CD1 ILE A 538 -5.571 1.885 5.815 1.00 0.23 C ATOM 0 H ILE A 538 -6.584 1.317 1.921 1.00 0.12 H new ATOM 0 HA ILE A 538 -5.097 -0.884 2.889 1.00 0.12 H new ATOM 0 HB ILE A 538 -7.412 0.688 4.053 1.00 0.14 H new ATOM 0 HG12 ILE A 538 -4.400 0.767 4.430 1.00 0.16 H new ATOM 0 HG13 ILE A 538 -5.398 2.006 3.695 1.00 0.16 H new ATOM 0 HG21 ILE A 538 -6.771 -0.324 6.201 1.00 0.14 H new ATOM 0 HG22 ILE A 538 -7.322 -1.553 5.037 1.00 0.14 H new ATOM 0 HG23 ILE A 538 -5.583 -1.350 5.362 1.00 0.14 H new ATOM 0 HD11 ILE A 538 -4.781 2.618 5.979 1.00 0.23 H new ATOM 0 HD12 ILE A 538 -6.541 2.382 5.848 1.00 0.23 H new ATOM 0 HD13 ILE A 538 -5.527 1.124 6.594 1.00 0.23 H new ATOM 606 N ASN A 539 -8.164 -1.476 1.877 1.00 0.12 N ATOM 607 CA ASN A 539 -9.087 -2.563 1.535 1.00 0.14 C ATOM 608 C ASN A 539 -8.356 -3.646 0.770 1.00 0.15 C ATOM 609 O ASN A 539 -8.749 -4.806 0.803 1.00 0.17 O ATOM 610 CB ASN A 539 -10.269 -2.101 0.659 1.00 0.17 C ATOM 611 CG ASN A 539 -11.306 -1.240 1.363 1.00 0.20 C ATOM 612 OD1 ASN A 539 -11.429 -1.375 2.670 1.00 0.25 O flip ATOM 613 ND2 ASN A 539 -11.997 -0.449 0.720 1.00 0.21 N flip ATOM 0 H ASN A 539 -8.447 -0.557 1.536 1.00 0.12 H new ATOM 0 HA ASN A 539 -9.477 -2.931 2.484 1.00 0.14 H new ATOM 0 HB2 ASN A 539 -9.874 -1.543 -0.190 1.00 0.17 H new ATOM 0 HB3 ASN A 539 -10.767 -2.983 0.256 1.00 0.17 H new ATOM 0 HD21 ASN A 539 -11.876 -0.370 -0.290 1.00 0.21 H new ATOM 0 HD22 ASN A 539 -12.690 0.127 1.197 1.00 0.21 H new ATOM 620 N LEU A 540 -7.315 -3.262 0.052 1.00 0.15 N ATOM 621 CA LEU A 540 -6.485 -4.235 -0.621 1.00 0.17 C ATOM 622 C LEU A 540 -5.574 -4.928 0.383 1.00 0.16 C ATOM 623 O LEU A 540 -5.388 -6.143 0.327 1.00 0.19 O ATOM 624 CB LEU A 540 -5.635 -3.547 -1.683 1.00 0.19 C ATOM 625 CG LEU A 540 -6.414 -2.855 -2.796 1.00 0.22 C ATOM 626 CD1 LEU A 540 -5.453 -2.177 -3.755 1.00 0.27 C ATOM 627 CD2 LEU A 540 -7.303 -3.849 -3.532 1.00 0.24 C ATOM 0 H LEU A 540 -7.029 -2.291 -0.077 1.00 0.15 H new ATOM 0 HA LEU A 540 -7.129 -4.976 -1.095 1.00 0.17 H new ATOM 0 HB2 LEU A 540 -5.000 -2.809 -1.194 1.00 0.19 H new ATOM 0 HB3 LEU A 540 -4.974 -4.289 -2.132 1.00 0.19 H new ATOM 0 HG LEU A 540 -7.059 -2.096 -2.353 1.00 0.22 H new ATOM 0 HD11 LEU A 540 -6.017 -1.685 -4.548 1.00 0.27 H new ATOM 0 HD12 LEU A 540 -4.863 -1.436 -3.216 1.00 0.27 H new ATOM 0 HD13 LEU A 540 -4.788 -2.922 -4.192 1.00 0.27 H new ATOM 0 HD21 LEU A 540 -7.849 -3.333 -4.322 1.00 0.24 H new ATOM 0 HD22 LEU A 540 -6.686 -4.634 -3.970 1.00 0.24 H new ATOM 0 HD23 LEU A 540 -8.011 -4.293 -2.831 1.00 0.24 H new ATOM 639 N GLY A 541 -5.017 -4.141 1.302 1.00 0.14 N ATOM 640 CA GLY A 541 -4.098 -4.682 2.295 1.00 0.16 C ATOM 641 C GLY A 541 -4.704 -5.648 3.307 1.00 0.15 C ATOM 642 O GLY A 541 -4.227 -6.769 3.460 1.00 0.19 O ATOM 0 H GLY A 541 -5.185 -3.138 1.378 1.00 0.14 H new ATOM 0 HA2 GLY A 541 -3.289 -5.193 1.773 1.00 0.16 H new ATOM 0 HA3 GLY A 541 -3.650 -3.850 2.839 1.00 0.16 H new ATOM 646 N LEU A 542 -5.774 -5.238 3.963 1.00 0.13 N ATOM 647 CA LEU A 542 -6.290 -5.968 5.129 1.00 0.14 C ATOM 648 C LEU A 542 -6.633 -7.445 4.870 1.00 0.16 C ATOM 649 O LEU A 542 -6.312 -8.293 5.704 1.00 0.20 O ATOM 650 CB LEU A 542 -7.496 -5.247 5.720 1.00 0.13 C ATOM 651 CG LEU A 542 -7.161 -4.015 6.554 1.00 0.14 C ATOM 652 CD1 LEU A 542 -8.421 -3.233 6.870 1.00 0.16 C ATOM 653 CD2 LEU A 542 -6.460 -4.425 7.841 1.00 0.16 C ATOM 0 H LEU A 542 -6.309 -4.405 3.716 1.00 0.13 H new ATOM 0 HA LEU A 542 -5.466 -5.980 5.843 1.00 0.14 H new ATOM 0 HB2 LEU A 542 -8.157 -4.949 4.907 1.00 0.13 H new ATOM 0 HB3 LEU A 542 -8.052 -5.949 6.342 1.00 0.13 H new ATOM 0 HG LEU A 542 -6.491 -3.377 5.978 1.00 0.14 H new ATOM 0 HD11 LEU A 542 -8.166 -2.357 7.466 1.00 0.16 H new ATOM 0 HD12 LEU A 542 -8.894 -2.915 5.941 1.00 0.16 H new ATOM 0 HD13 LEU A 542 -9.110 -3.865 7.431 1.00 0.16 H new ATOM 0 HD21 LEU A 542 -6.226 -3.536 8.427 1.00 0.16 H new ATOM 0 HD22 LEU A 542 -7.113 -5.079 8.419 1.00 0.16 H new ATOM 0 HD23 LEU A 542 -5.538 -4.954 7.600 1.00 0.16 H new ATOM 665 N PRO A 543 -7.296 -7.797 3.748 1.00 0.17 N ATOM 666 CA PRO A 543 -7.686 -9.188 3.478 1.00 0.19 C ATOM 667 C PRO A 543 -6.500 -10.154 3.421 1.00 0.20 C ATOM 668 O PRO A 543 -6.659 -11.345 3.691 1.00 0.23 O ATOM 669 CB PRO A 543 -8.389 -9.106 2.118 1.00 0.22 C ATOM 670 CG PRO A 543 -8.850 -7.695 2.035 1.00 0.21 C ATOM 671 CD PRO A 543 -7.750 -6.902 2.672 1.00 0.17 C ATOM 0 HA PRO A 543 -8.313 -9.586 4.276 1.00 0.19 H new ATOM 0 HB2 PRO A 543 -7.709 -9.352 1.302 1.00 0.22 H new ATOM 0 HB3 PRO A 543 -9.225 -9.803 2.058 1.00 0.22 H new ATOM 0 HG2 PRO A 543 -9.011 -7.390 1.001 1.00 0.21 H new ATOM 0 HG3 PRO A 543 -9.795 -7.555 2.560 1.00 0.21 H new ATOM 0 HD2 PRO A 543 -6.950 -6.677 1.966 1.00 0.17 H new ATOM 0 HD3 PRO A 543 -8.109 -5.949 3.061 1.00 0.17 H new ATOM 679 N PHE A 544 -5.314 -9.658 3.079 1.00 0.20 N ATOM 680 CA PHE A 544 -4.129 -10.510 3.040 1.00 0.22 C ATOM 681 C PHE A 544 -3.287 -10.351 4.304 1.00 0.22 C ATOM 682 O PHE A 544 -2.396 -11.160 4.569 1.00 0.28 O ATOM 683 CB PHE A 544 -3.268 -10.190 1.816 1.00 0.23 C ATOM 684 CG PHE A 544 -3.941 -10.432 0.497 1.00 0.25 C ATOM 685 CD1 PHE A 544 -4.076 -11.719 0.006 1.00 0.29 C ATOM 686 CD2 PHE A 544 -4.445 -9.377 -0.247 1.00 0.28 C ATOM 687 CE1 PHE A 544 -4.698 -11.952 -1.204 1.00 0.33 C ATOM 688 CE2 PHE A 544 -5.069 -9.604 -1.460 1.00 0.32 C ATOM 689 CZ PHE A 544 -5.178 -10.867 -1.952 1.00 0.33 C ATOM 0 H PHE A 544 -5.148 -8.683 2.828 1.00 0.20 H new ATOM 0 HA PHE A 544 -4.477 -11.541 2.977 1.00 0.22 H new ATOM 0 HB2 PHE A 544 -2.962 -9.145 1.867 1.00 0.23 H new ATOM 0 HB3 PHE A 544 -2.359 -10.790 1.861 1.00 0.23 H new ATOM 0 HD1 PHE A 544 -3.690 -12.551 0.576 1.00 0.29 H new ATOM 0 HD2 PHE A 544 -4.349 -8.367 0.124 1.00 0.28 H new ATOM 0 HE1 PHE A 544 -4.814 -12.961 -1.572 1.00 0.33 H new ATOM 0 HE2 PHE A 544 -5.472 -8.773 -2.020 1.00 0.32 H new ATOM 0 HZ PHE A 544 -5.633 -11.034 -2.917 1.00 0.33 H new ATOM 699 N GLY A 545 -3.562 -9.312 5.080 1.00 0.19 N ATOM 700 CA GLY A 545 -2.791 -9.071 6.285 1.00 0.21 C ATOM 701 C GLY A 545 -3.190 -7.792 6.991 1.00 0.21 C ATOM 702 O GLY A 545 -3.730 -6.877 6.375 1.00 0.44 O ATOM 0 H GLY A 545 -4.302 -8.634 4.899 1.00 0.19 H new ATOM 0 HA2 GLY A 545 -2.919 -9.912 6.967 1.00 0.21 H new ATOM 0 HA3 GLY A 545 -1.732 -9.025 6.030 1.00 0.21 H new ATOM 706 N LYS A 546 -2.928 -7.733 8.290 1.00 0.27 N ATOM 707 CA LYS A 546 -3.263 -6.567 9.098 1.00 0.25 C ATOM 708 C LYS A 546 -2.453 -5.343 8.681 1.00 0.20 C ATOM 709 O LYS A 546 -1.226 -5.391 8.594 1.00 0.24 O ATOM 710 CB LYS A 546 -3.019 -6.873 10.579 1.00 0.35 C ATOM 711 CG LYS A 546 -3.265 -5.689 11.501 1.00 0.41 C ATOM 712 CD LYS A 546 -2.986 -6.053 12.949 1.00 0.92 C ATOM 713 CE LYS A 546 -3.119 -4.847 13.863 1.00 1.60 C ATOM 714 NZ LYS A 546 -2.839 -5.191 15.283 1.00 2.07 N ATOM 0 H LYS A 546 -2.480 -8.487 8.811 1.00 0.27 H new ATOM 0 HA LYS A 546 -4.317 -6.341 8.938 1.00 0.25 H new ATOM 0 HB2 LYS A 546 -3.666 -7.697 10.881 1.00 0.35 H new ATOM 0 HB3 LYS A 546 -1.991 -7.212 10.705 1.00 0.35 H new ATOM 0 HG2 LYS A 546 -2.629 -4.855 11.204 1.00 0.41 H new ATOM 0 HG3 LYS A 546 -4.297 -5.354 11.400 1.00 0.41 H new ATOM 0 HD2 LYS A 546 -3.679 -6.831 13.269 1.00 0.92 H new ATOM 0 HD3 LYS A 546 -1.981 -6.466 13.034 1.00 0.92 H new ATOM 0 HE2 LYS A 546 -2.431 -4.067 13.536 1.00 1.60 H new ATOM 0 HE3 LYS A 546 -4.126 -4.439 13.781 1.00 1.60 H new ATOM 0 HZ1 LYS A 546 -2.941 -4.340 15.873 1.00 2.07 H new ATOM 0 HZ2 LYS A 546 -3.511 -5.917 15.603 1.00 2.07 H new ATOM 0 HZ3 LYS A 546 -1.869 -5.556 15.367 1.00 2.07 H new ATOM 728 N VAL A 547 -3.161 -4.254 8.413 1.00 0.16 N ATOM 729 CA VAL A 547 -2.545 -2.982 8.076 1.00 0.15 C ATOM 730 C VAL A 547 -2.301 -2.149 9.330 1.00 0.18 C ATOM 731 O VAL A 547 -3.243 -1.771 10.027 1.00 0.20 O ATOM 732 CB VAL A 547 -3.449 -2.199 7.101 1.00 0.16 C ATOM 733 CG1 VAL A 547 -2.909 -0.803 6.826 1.00 0.18 C ATOM 734 CG2 VAL A 547 -3.603 -2.976 5.805 1.00 0.14 C ATOM 0 H VAL A 547 -4.181 -4.230 8.424 1.00 0.16 H new ATOM 0 HA VAL A 547 -1.586 -3.183 7.599 1.00 0.15 H new ATOM 0 HB VAL A 547 -4.426 -2.081 7.569 1.00 0.16 H new ATOM 0 HG11 VAL A 547 -3.574 -0.285 6.135 1.00 0.18 H new ATOM 0 HG12 VAL A 547 -2.850 -0.245 7.760 1.00 0.18 H new ATOM 0 HG13 VAL A 547 -1.915 -0.878 6.385 1.00 0.18 H new ATOM 0 HG21 VAL A 547 -4.242 -2.419 5.120 1.00 0.14 H new ATOM 0 HG22 VAL A 547 -2.623 -3.122 5.350 1.00 0.14 H new ATOM 0 HG23 VAL A 547 -4.054 -3.946 6.014 1.00 0.14 H new ATOM 744 N THR A 548 -1.038 -1.888 9.628 1.00 0.20 N ATOM 745 CA THR A 548 -0.682 -1.077 10.780 1.00 0.23 C ATOM 746 C THR A 548 -0.530 0.400 10.421 1.00 0.23 C ATOM 747 O THR A 548 -0.897 1.274 11.206 1.00 0.27 O ATOM 748 CB THR A 548 0.618 -1.597 11.414 1.00 0.27 C ATOM 749 OG1 THR A 548 1.609 -1.780 10.395 1.00 0.26 O ATOM 750 CG2 THR A 548 0.379 -2.911 12.141 1.00 0.31 C ATOM 0 H THR A 548 -0.242 -2.227 9.087 1.00 0.20 H new ATOM 0 HA THR A 548 -1.499 -1.159 11.497 1.00 0.23 H new ATOM 0 HB THR A 548 0.968 -0.863 12.139 1.00 0.27 H new ATOM 0 HG1 THR A 548 2.282 -1.071 10.462 1.00 0.26 H new ATOM 0 HG21 THR A 548 1.314 -3.259 12.581 1.00 0.31 H new ATOM 0 HG22 THR A 548 -0.360 -2.762 12.929 1.00 0.31 H new ATOM 0 HG23 THR A 548 0.011 -3.656 11.435 1.00 0.31 H new ATOM 758 N ASN A 549 -0.027 0.668 9.223 1.00 0.20 N ATOM 759 CA ASN A 549 0.157 2.044 8.750 1.00 0.21 C ATOM 760 C ASN A 549 -0.150 2.155 7.269 1.00 0.18 C ATOM 761 O ASN A 549 -0.197 1.156 6.555 1.00 0.20 O ATOM 762 CB ASN A 549 1.585 2.558 8.995 1.00 0.26 C ATOM 763 CG ASN A 549 1.869 2.916 10.435 1.00 0.40 C ATOM 764 OD1 ASN A 549 0.966 3.235 11.204 1.00 1.26 O ATOM 765 ND2 ASN A 549 3.136 2.896 10.798 1.00 0.81 N ATOM 0 H ASN A 549 0.263 -0.047 8.556 1.00 0.20 H new ATOM 0 HA ASN A 549 -0.538 2.658 9.322 1.00 0.21 H new ATOM 0 HB2 ASN A 549 2.295 1.796 8.674 1.00 0.26 H new ATOM 0 HB3 ASN A 549 1.756 3.436 8.372 1.00 0.26 H new ATOM 0 HD21 ASN A 549 3.398 3.152 11.750 1.00 0.81 H new ATOM 0 HD22 ASN A 549 3.855 2.625 10.127 1.00 0.81 H new ATOM 772 N TYR A 550 -0.368 3.379 6.821 1.00 0.17 N ATOM 773 CA TYR A 550 -0.674 3.650 5.432 1.00 0.17 C ATOM 774 C TYR A 550 -0.398 5.112 5.118 1.00 0.17 C ATOM 775 O TYR A 550 -0.493 5.969 5.998 1.00 0.17 O ATOM 776 CB TYR A 550 -2.140 3.309 5.148 1.00 0.17 C ATOM 777 CG TYR A 550 -3.126 4.039 6.042 1.00 0.17 C ATOM 778 CD1 TYR A 550 -4.034 4.930 5.502 1.00 0.19 C ATOM 779 CD2 TYR A 550 -3.153 3.832 7.420 1.00 0.19 C ATOM 780 CE1 TYR A 550 -4.939 5.597 6.304 1.00 0.22 C ATOM 781 CE2 TYR A 550 -4.056 4.497 8.227 1.00 0.24 C ATOM 782 CZ TYR A 550 -4.949 5.379 7.661 1.00 0.25 C ATOM 783 OH TYR A 550 -5.863 6.043 8.451 1.00 0.31 O ATOM 0 H TYR A 550 -0.337 4.210 7.411 1.00 0.17 H new ATOM 0 HA TYR A 550 -0.041 3.031 4.796 1.00 0.17 H new ATOM 0 HB2 TYR A 550 -2.363 3.547 4.108 1.00 0.17 H new ATOM 0 HB3 TYR A 550 -2.283 2.235 5.267 1.00 0.17 H new ATOM 0 HD1 TYR A 550 -4.036 5.107 4.437 1.00 0.19 H new ATOM 0 HD2 TYR A 550 -2.455 3.139 7.865 1.00 0.19 H new ATOM 0 HE1 TYR A 550 -5.640 6.291 5.864 1.00 0.22 H new ATOM 0 HE2 TYR A 550 -4.061 4.326 9.293 1.00 0.24 H new ATOM 0 HH TYR A 550 -5.740 5.778 9.387 1.00 0.31 H new ATOM 793 N ILE A 551 -0.053 5.393 3.871 1.00 0.18 N ATOM 794 CA ILE A 551 0.277 6.741 3.434 1.00 0.16 C ATOM 795 C ILE A 551 -0.231 6.917 2.021 1.00 0.17 C ATOM 796 O ILE A 551 0.075 6.103 1.160 1.00 0.20 O ATOM 797 CB ILE A 551 1.802 6.981 3.416 1.00 0.18 C ATOM 798 CG1 ILE A 551 2.429 6.645 4.774 1.00 0.19 C ATOM 799 CG2 ILE A 551 2.110 8.419 3.026 1.00 0.22 C ATOM 800 CD1 ILE A 551 3.941 6.692 4.781 1.00 0.20 C ATOM 0 H ILE A 551 0.006 4.692 3.132 1.00 0.18 H new ATOM 0 HA ILE A 551 -0.180 7.445 4.129 1.00 0.16 H new ATOM 0 HB ILE A 551 2.240 6.317 2.670 1.00 0.18 H new ATOM 0 HG12 ILE A 551 2.050 7.343 5.520 1.00 0.19 H new ATOM 0 HG13 ILE A 551 2.105 5.649 5.076 1.00 0.19 H new ATOM 0 HG21 ILE A 551 3.189 8.571 3.018 1.00 0.22 H new ATOM 0 HG22 ILE A 551 1.708 8.621 2.033 1.00 0.22 H new ATOM 0 HG23 ILE A 551 1.653 9.097 3.747 1.00 0.22 H new ATOM 0 HD11 ILE A 551 4.308 6.443 5.777 1.00 0.20 H new ATOM 0 HD12 ILE A 551 4.331 5.973 4.060 1.00 0.20 H new ATOM 0 HD13 ILE A 551 4.275 7.694 4.511 1.00 0.20 H new ATOM 812 N LEU A 552 -0.999 7.946 1.763 1.00 0.16 N ATOM 813 CA LEU A 552 -1.493 8.159 0.421 1.00 0.19 C ATOM 814 C LEU A 552 -0.762 9.313 -0.231 1.00 0.19 C ATOM 815 O LEU A 552 -0.769 10.422 0.290 1.00 0.26 O ATOM 816 CB LEU A 552 -2.988 8.426 0.432 1.00 0.27 C ATOM 817 CG LEU A 552 -3.867 7.260 0.848 1.00 0.30 C ATOM 818 CD1 LEU A 552 -5.307 7.608 0.568 1.00 0.43 C ATOM 819 CD2 LEU A 552 -3.475 5.984 0.125 1.00 0.42 C ATOM 0 H LEU A 552 -1.293 8.640 2.450 1.00 0.16 H new ATOM 0 HA LEU A 552 -1.310 7.253 -0.157 1.00 0.19 H new ATOM 0 HB2 LEU A 552 -3.183 9.261 1.105 1.00 0.27 H new ATOM 0 HB3 LEU A 552 -3.288 8.744 -0.566 1.00 0.27 H new ATOM 0 HG LEU A 552 -3.733 7.080 1.915 1.00 0.30 H new ATOM 0 HD11 LEU A 552 -5.946 6.776 0.864 1.00 0.43 H new ATOM 0 HD12 LEU A 552 -5.583 8.497 1.135 1.00 0.43 H new ATOM 0 HD13 LEU A 552 -5.434 7.802 -0.497 1.00 0.43 H new ATOM 0 HD21 LEU A 552 -4.124 5.170 0.446 1.00 0.42 H new ATOM 0 HD22 LEU A 552 -3.579 6.128 -0.950 1.00 0.42 H new ATOM 0 HD23 LEU A 552 -2.440 5.737 0.359 1.00 0.42 H new ATOM 831 N MET A 553 -0.165 9.077 -1.385 1.00 0.18 N ATOM 832 CA MET A 553 0.557 10.142 -2.063 1.00 0.26 C ATOM 833 C MET A 553 -0.283 10.623 -3.231 1.00 0.26 C ATOM 834 O MET A 553 -0.062 10.243 -4.385 1.00 0.25 O ATOM 835 CB MET A 553 1.905 9.634 -2.583 1.00 0.35 C ATOM 836 CG MET A 553 2.701 8.822 -1.572 1.00 0.56 C ATOM 837 SD MET A 553 3.967 7.801 -2.354 1.00 1.03 S ATOM 838 CE MET A 553 4.993 9.053 -3.116 1.00 0.80 C ATOM 0 H MET A 553 -0.163 8.177 -1.866 1.00 0.18 H new ATOM 0 HA MET A 553 0.742 10.956 -1.362 1.00 0.26 H new ATOM 0 HB2 MET A 553 1.732 9.022 -3.468 1.00 0.35 H new ATOM 0 HB3 MET A 553 2.505 10.488 -2.898 1.00 0.35 H new ATOM 0 HG2 MET A 553 3.173 9.497 -0.858 1.00 0.56 H new ATOM 0 HG3 MET A 553 2.022 8.184 -1.007 1.00 0.56 H new ATOM 0 HE1 MET A 553 5.076 8.855 -4.185 1.00 0.80 H new ATOM 0 HE2 MET A 553 4.544 10.034 -2.963 1.00 0.80 H new ATOM 0 HE3 MET A 553 5.985 9.034 -2.665 1.00 0.80 H new ATOM 848 N LYS A 554 -1.251 11.464 -2.908 1.00 0.32 N ATOM 849 CA LYS A 554 -2.100 12.105 -3.909 1.00 0.37 C ATOM 850 C LYS A 554 -1.295 12.837 -4.978 1.00 0.38 C ATOM 851 O LYS A 554 -1.741 12.960 -6.119 1.00 0.40 O ATOM 852 CB LYS A 554 -3.067 13.077 -3.226 1.00 0.47 C ATOM 853 CG LYS A 554 -3.608 12.587 -1.883 1.00 0.43 C ATOM 854 CD LYS A 554 -4.297 11.233 -1.988 1.00 0.37 C ATOM 855 CE LYS A 554 -4.930 10.830 -0.663 1.00 0.39 C ATOM 856 NZ LYS A 554 -5.992 11.774 -0.221 1.00 1.03 N ATOM 0 H LYS A 554 -1.474 11.724 -1.947 1.00 0.32 H new ATOM 0 HA LYS A 554 -2.658 11.315 -4.412 1.00 0.37 H new ATOM 0 HB2 LYS A 554 -2.559 14.029 -3.074 1.00 0.47 H new ATOM 0 HB3 LYS A 554 -3.906 13.266 -3.895 1.00 0.47 H new ATOM 0 HG2 LYS A 554 -2.788 12.519 -1.168 1.00 0.43 H new ATOM 0 HG3 LYS A 554 -4.313 13.320 -1.490 1.00 0.43 H new ATOM 0 HD2 LYS A 554 -5.063 11.271 -2.763 1.00 0.37 H new ATOM 0 HD3 LYS A 554 -3.573 10.477 -2.293 1.00 0.37 H new ATOM 0 HE2 LYS A 554 -5.355 9.831 -0.758 1.00 0.39 H new ATOM 0 HE3 LYS A 554 -4.156 10.776 0.103 1.00 0.39 H new ATOM 0 HZ1 LYS A 554 -6.567 11.327 0.521 1.00 1.03 H new ATOM 0 HZ2 LYS A 554 -5.553 12.639 0.155 1.00 1.03 H new ATOM 0 HZ3 LYS A 554 -6.599 12.017 -1.030 1.00 1.03 H new ATOM 870 N SER A 555 -0.114 13.311 -4.621 1.00 0.40 N ATOM 871 CA SER A 555 0.675 14.129 -5.519 1.00 0.44 C ATOM 872 C SER A 555 1.201 13.321 -6.708 1.00 0.38 C ATOM 873 O SER A 555 1.134 13.770 -7.849 1.00 0.38 O ATOM 874 CB SER A 555 1.828 14.757 -4.739 1.00 0.51 C ATOM 875 OG SER A 555 2.622 13.758 -4.117 1.00 0.50 O ATOM 0 H SER A 555 0.319 13.142 -3.713 1.00 0.40 H new ATOM 0 HA SER A 555 0.037 14.913 -5.927 1.00 0.44 H new ATOM 0 HB2 SER A 555 2.446 15.352 -5.412 1.00 0.51 H new ATOM 0 HB3 SER A 555 1.434 15.437 -3.983 1.00 0.51 H new ATOM 0 HG SER A 555 3.355 14.183 -3.625 1.00 0.50 H new ATOM 881 N THR A 556 1.719 12.127 -6.440 1.00 0.34 N ATOM 882 CA THR A 556 2.362 11.326 -7.474 1.00 0.32 C ATOM 883 C THR A 556 1.495 10.159 -7.944 1.00 0.27 C ATOM 884 O THR A 556 1.964 9.305 -8.701 1.00 0.28 O ATOM 885 CB THR A 556 3.703 10.768 -6.970 1.00 0.36 C ATOM 886 OG1 THR A 556 3.496 10.042 -5.753 1.00 0.34 O ATOM 887 CG2 THR A 556 4.704 11.884 -6.728 1.00 0.45 C ATOM 0 H THR A 556 1.706 11.694 -5.517 1.00 0.34 H new ATOM 0 HA THR A 556 2.520 11.995 -8.320 1.00 0.32 H new ATOM 0 HB THR A 556 4.105 10.104 -7.735 1.00 0.36 H new ATOM 0 HG1 THR A 556 2.537 9.887 -5.623 1.00 0.34 H new ATOM 0 HG21 THR A 556 5.643 11.460 -6.372 1.00 0.45 H new ATOM 0 HG22 THR A 556 4.879 12.424 -7.659 1.00 0.45 H new ATOM 0 HG23 THR A 556 4.309 12.571 -5.979 1.00 0.45 H new ATOM 895 N ASN A 557 0.236 10.130 -7.500 1.00 0.26 N ATOM 896 CA ASN A 557 -0.680 9.024 -7.811 1.00 0.26 C ATOM 897 C ASN A 557 -0.118 7.707 -7.280 1.00 0.21 C ATOM 898 O ASN A 557 -0.198 6.661 -7.930 1.00 0.25 O ATOM 899 CB ASN A 557 -0.918 8.912 -9.321 1.00 0.31 C ATOM 900 CG ASN A 557 -1.611 10.128 -9.899 1.00 0.38 C ATOM 901 OD1 ASN A 557 -0.962 11.087 -10.318 1.00 1.09 O ATOM 902 ND2 ASN A 557 -2.933 10.097 -9.929 1.00 1.28 N ATOM 0 H ASN A 557 -0.176 10.862 -6.921 1.00 0.26 H new ATOM 0 HA ASN A 557 -1.633 9.232 -7.325 1.00 0.26 H new ATOM 0 HB2 ASN A 557 0.038 8.771 -9.825 1.00 0.31 H new ATOM 0 HB3 ASN A 557 -1.520 8.026 -9.524 1.00 0.31 H new ATOM 0 HD21 ASN A 557 -3.453 10.887 -10.310 1.00 1.28 H new ATOM 0 HD22 ASN A 557 -3.432 9.283 -9.571 1.00 1.28 H new ATOM 909 N GLN A 558 0.447 7.779 -6.086 1.00 0.17 N ATOM 910 CA GLN A 558 1.116 6.645 -5.466 1.00 0.17 C ATOM 911 C GLN A 558 0.699 6.548 -4.008 1.00 0.16 C ATOM 912 O GLN A 558 0.050 7.455 -3.502 1.00 0.20 O ATOM 913 CB GLN A 558 2.632 6.813 -5.570 1.00 0.22 C ATOM 914 CG GLN A 558 3.157 6.803 -6.997 1.00 0.29 C ATOM 915 CD GLN A 558 4.633 7.132 -7.070 1.00 0.41 C ATOM 916 OE1 GLN A 558 5.050 7.735 -8.169 1.00 0.78 O flip ATOM 917 NE2 GLN A 558 5.388 6.848 -6.143 1.00 0.84 N flip ATOM 0 H GLN A 558 0.455 8.626 -5.518 1.00 0.17 H new ATOM 0 HA GLN A 558 0.830 5.729 -5.983 1.00 0.17 H new ATOM 0 HB2 GLN A 558 2.917 7.752 -5.095 1.00 0.22 H new ATOM 0 HB3 GLN A 558 3.116 6.013 -5.010 1.00 0.22 H new ATOM 0 HG2 GLN A 558 2.984 5.821 -7.438 1.00 0.29 H new ATOM 0 HG3 GLN A 558 2.597 7.524 -7.593 1.00 0.29 H new ATOM 0 HE21 GLN A 558 5.023 6.382 -5.312 1.00 0.84 H new ATOM 0 HE22 GLN A 558 6.380 7.078 -6.204 1.00 0.84 H new ATOM 926 N ALA A 559 1.006 5.444 -3.341 1.00 0.15 N ATOM 927 CA ALA A 559 0.703 5.320 -1.923 1.00 0.14 C ATOM 928 C ALA A 559 1.561 4.246 -1.251 1.00 0.14 C ATOM 929 O ALA A 559 2.212 3.445 -1.917 1.00 0.16 O ATOM 930 CB ALA A 559 -0.773 5.041 -1.723 1.00 0.15 C ATOM 0 H ALA A 559 1.460 4.629 -3.754 1.00 0.15 H new ATOM 0 HA ALA A 559 0.946 6.269 -1.445 1.00 0.14 H new ATOM 0 HB1 ALA A 559 -0.985 4.951 -0.658 1.00 0.15 H new ATOM 0 HB2 ALA A 559 -1.358 5.860 -2.141 1.00 0.15 H new ATOM 0 HB3 ALA A 559 -1.039 4.111 -2.226 1.00 0.15 H new ATOM 936 N PHE A 560 1.569 4.266 0.072 1.00 0.14 N ATOM 937 CA PHE A 560 2.276 3.266 0.866 1.00 0.15 C ATOM 938 C PHE A 560 1.314 2.514 1.771 1.00 0.14 C ATOM 939 O PHE A 560 0.317 3.068 2.238 1.00 0.16 O ATOM 940 CB PHE A 560 3.359 3.900 1.737 1.00 0.16 C ATOM 941 CG PHE A 560 4.529 4.460 0.988 1.00 0.20 C ATOM 942 CD1 PHE A 560 5.574 3.637 0.604 1.00 0.26 C ATOM 943 CD2 PHE A 560 4.599 5.809 0.693 1.00 0.29 C ATOM 944 CE1 PHE A 560 6.668 4.148 -0.061 1.00 0.30 C ATOM 945 CE2 PHE A 560 5.690 6.326 0.023 1.00 0.35 C ATOM 946 CZ PHE A 560 6.725 5.494 -0.353 1.00 0.30 C ATOM 0 H PHE A 560 1.088 4.973 0.628 1.00 0.14 H new ATOM 0 HA PHE A 560 2.740 2.578 0.159 1.00 0.15 H new ATOM 0 HB2 PHE A 560 2.908 4.699 2.326 1.00 0.16 H new ATOM 0 HB3 PHE A 560 3.722 3.151 2.441 1.00 0.16 H new ATOM 0 HD1 PHE A 560 5.532 2.581 0.828 1.00 0.26 H new ATOM 0 HD2 PHE A 560 3.793 6.464 0.989 1.00 0.29 H new ATOM 0 HE1 PHE A 560 7.478 3.496 -0.352 1.00 0.30 H new ATOM 0 HE2 PHE A 560 5.733 7.380 -0.207 1.00 0.35 H new ATOM 0 HZ PHE A 560 7.579 5.897 -0.876 1.00 0.30 H new ATOM 956 N LEU A 561 1.637 1.257 2.020 1.00 0.14 N ATOM 957 CA LEU A 561 0.827 0.403 2.868 1.00 0.14 C ATOM 958 C LEU A 561 1.725 -0.423 3.788 1.00 0.16 C ATOM 959 O LEU A 561 2.567 -1.190 3.325 1.00 0.18 O ATOM 960 CB LEU A 561 -0.033 -0.507 1.984 1.00 0.15 C ATOM 961 CG LEU A 561 -0.983 -1.454 2.709 1.00 0.17 C ATOM 962 CD1 LEU A 561 -2.073 -0.671 3.424 1.00 0.19 C ATOM 963 CD2 LEU A 561 -1.586 -2.440 1.719 1.00 0.20 C ATOM 0 H LEU A 561 2.467 0.801 1.640 1.00 0.14 H new ATOM 0 HA LEU A 561 0.174 1.012 3.493 1.00 0.14 H new ATOM 0 HB2 LEU A 561 -0.621 0.122 1.316 1.00 0.15 H new ATOM 0 HB3 LEU A 561 0.631 -1.103 1.358 1.00 0.15 H new ATOM 0 HG LEU A 561 -0.423 -2.012 3.459 1.00 0.17 H new ATOM 0 HD11 LEU A 561 -2.742 -1.363 3.936 1.00 0.19 H new ATOM 0 HD12 LEU A 561 -1.620 0.001 4.152 1.00 0.19 H new ATOM 0 HD13 LEU A 561 -2.640 -0.090 2.697 1.00 0.19 H new ATOM 0 HD21 LEU A 561 -2.264 -3.114 2.243 1.00 0.20 H new ATOM 0 HD22 LEU A 561 -2.137 -1.895 0.953 1.00 0.20 H new ATOM 0 HD23 LEU A 561 -0.790 -3.019 1.251 1.00 0.20 H new ATOM 975 N GLU A 562 1.557 -0.248 5.091 1.00 0.17 N ATOM 976 CA GLU A 562 2.353 -0.990 6.061 1.00 0.20 C ATOM 977 C GLU A 562 1.569 -2.174 6.594 1.00 0.18 C ATOM 978 O GLU A 562 0.434 -2.036 7.057 1.00 0.18 O ATOM 979 CB GLU A 562 2.793 -0.107 7.228 1.00 0.27 C ATOM 980 CG GLU A 562 3.886 -0.739 8.078 1.00 0.57 C ATOM 981 CD GLU A 562 4.254 0.089 9.292 1.00 1.17 C ATOM 982 OE1 GLU A 562 5.165 0.936 9.181 1.00 2.09 O ATOM 983 OE2 GLU A 562 3.619 -0.080 10.353 1.00 1.21 O ATOM 0 H GLU A 562 0.881 0.397 5.500 1.00 0.17 H new ATOM 0 HA GLU A 562 3.245 -1.343 5.543 1.00 0.20 H new ATOM 0 HB2 GLU A 562 3.150 0.847 6.839 1.00 0.27 H new ATOM 0 HB3 GLU A 562 1.930 0.108 7.858 1.00 0.27 H new ATOM 0 HG2 GLU A 562 3.558 -1.725 8.405 1.00 0.57 H new ATOM 0 HG3 GLU A 562 4.775 -0.886 7.464 1.00 0.57 H new ATOM 990 N MET A 563 2.189 -3.333 6.527 1.00 0.25 N ATOM 991 CA MET A 563 1.557 -4.572 6.927 1.00 0.23 C ATOM 992 C MET A 563 2.253 -5.112 8.166 1.00 0.27 C ATOM 993 O MET A 563 3.437 -4.849 8.383 1.00 0.39 O ATOM 994 CB MET A 563 1.637 -5.556 5.764 1.00 0.25 C ATOM 995 CG MET A 563 1.107 -4.953 4.473 1.00 0.25 C ATOM 996 SD MET A 563 1.569 -5.880 3.005 1.00 0.31 S ATOM 997 CE MET A 563 0.923 -4.809 1.719 1.00 0.25 C ATOM 0 H MET A 563 3.147 -3.443 6.193 1.00 0.25 H new ATOM 0 HA MET A 563 0.508 -4.412 7.175 1.00 0.23 H new ATOM 0 HB2 MET A 563 2.672 -5.866 5.622 1.00 0.25 H new ATOM 0 HB3 MET A 563 1.066 -6.452 6.007 1.00 0.25 H new ATOM 0 HG2 MET A 563 0.020 -4.894 4.528 1.00 0.25 H new ATOM 0 HG3 MET A 563 1.477 -3.932 4.380 1.00 0.25 H new ATOM 0 HE1 MET A 563 1.083 -5.272 0.745 1.00 0.25 H new ATOM 0 HE2 MET A 563 -0.144 -4.655 1.876 1.00 0.25 H new ATOM 0 HE3 MET A 563 1.437 -3.849 1.753 1.00 0.25 H new ATOM 1007 N ALA A 564 1.511 -5.861 8.971 1.00 0.28 N ATOM 1008 CA ALA A 564 1.975 -6.277 10.291 1.00 0.33 C ATOM 1009 C ALA A 564 3.035 -7.364 10.205 1.00 0.27 C ATOM 1010 O ALA A 564 3.748 -7.623 11.173 1.00 0.40 O ATOM 1011 CB ALA A 564 0.802 -6.755 11.133 1.00 0.50 C ATOM 0 H ALA A 564 0.578 -6.196 8.732 1.00 0.28 H new ATOM 0 HA ALA A 564 2.432 -5.409 10.766 1.00 0.33 H new ATOM 0 HB1 ALA A 564 1.161 -7.063 12.115 1.00 0.50 H new ATOM 0 HB2 ALA A 564 0.082 -5.945 11.247 1.00 0.50 H new ATOM 0 HB3 ALA A 564 0.322 -7.601 10.641 1.00 0.50 H new ATOM 1017 N TYR A 565 3.134 -8.002 9.048 1.00 0.27 N ATOM 1018 CA TYR A 565 4.092 -9.080 8.848 1.00 0.37 C ATOM 1019 C TYR A 565 4.649 -9.022 7.431 1.00 0.33 C ATOM 1020 O TYR A 565 3.954 -8.613 6.499 1.00 0.29 O ATOM 1021 CB TYR A 565 3.426 -10.439 9.085 1.00 0.55 C ATOM 1022 CG TYR A 565 2.755 -10.573 10.432 1.00 0.68 C ATOM 1023 CD1 TYR A 565 1.382 -10.419 10.555 1.00 0.75 C ATOM 1024 CD2 TYR A 565 3.492 -10.843 11.578 1.00 0.86 C ATOM 1025 CE1 TYR A 565 0.759 -10.528 11.780 1.00 0.90 C ATOM 1026 CE2 TYR A 565 2.874 -10.957 12.810 1.00 1.00 C ATOM 1027 CZ TYR A 565 1.507 -10.798 12.904 1.00 0.98 C ATOM 1028 OH TYR A 565 0.886 -10.905 14.127 1.00 1.15 O ATOM 0 H TYR A 565 2.561 -7.791 8.231 1.00 0.27 H new ATOM 0 HA TYR A 565 4.906 -8.958 9.562 1.00 0.37 H new ATOM 0 HB2 TYR A 565 2.685 -10.609 8.304 1.00 0.55 H new ATOM 0 HB3 TYR A 565 4.178 -11.222 8.987 1.00 0.55 H new ATOM 0 HD1 TYR A 565 0.791 -10.210 9.676 1.00 0.75 H new ATOM 0 HD2 TYR A 565 4.563 -10.966 11.506 1.00 0.86 H new ATOM 0 HE1 TYR A 565 -0.311 -10.402 11.858 1.00 0.90 H new ATOM 0 HE2 TYR A 565 3.458 -11.169 13.693 1.00 1.00 H new ATOM 0 HH TYR A 565 1.554 -11.099 14.817 1.00 1.15 H new ATOM 1038 N THR A 566 5.902 -9.433 7.277 1.00 0.39 N ATOM 1039 CA THR A 566 6.550 -9.446 5.968 1.00 0.40 C ATOM 1040 C THR A 566 5.895 -10.495 5.064 1.00 0.36 C ATOM 1041 O THR A 566 5.873 -10.354 3.839 1.00 0.35 O ATOM 1042 CB THR A 566 8.076 -9.692 6.085 1.00 0.51 C ATOM 1043 OG1 THR A 566 8.713 -9.482 4.820 1.00 0.57 O ATOM 1044 CG2 THR A 566 8.382 -11.098 6.578 1.00 0.57 C ATOM 0 H THR A 566 6.491 -9.762 8.042 1.00 0.39 H new ATOM 0 HA THR A 566 6.417 -8.462 5.518 1.00 0.40 H new ATOM 0 HB THR A 566 8.465 -8.981 6.814 1.00 0.51 H new ATOM 0 HG1 THR A 566 9.676 -9.639 4.909 1.00 0.57 H new ATOM 0 HG21 THR A 566 9.461 -11.232 6.647 1.00 0.57 H new ATOM 0 HG22 THR A 566 7.934 -11.244 7.561 1.00 0.57 H new ATOM 0 HG23 THR A 566 7.970 -11.826 5.880 1.00 0.57 H new ATOM 1052 N GLU A 567 5.333 -11.531 5.691 1.00 0.38 N ATOM 1053 CA GLU A 567 4.592 -12.570 4.983 1.00 0.40 C ATOM 1054 C GLU A 567 3.417 -11.968 4.217 1.00 0.31 C ATOM 1055 O GLU A 567 3.037 -12.455 3.154 1.00 0.32 O ATOM 1056 CB GLU A 567 4.079 -13.615 5.977 1.00 0.49 C ATOM 1057 CG GLU A 567 3.038 -13.069 6.945 1.00 0.55 C ATOM 1058 CD GLU A 567 2.756 -14.006 8.096 1.00 0.71 C ATOM 1059 OE1 GLU A 567 3.555 -14.032 9.053 1.00 0.89 O ATOM 1060 OE2 GLU A 567 1.727 -14.712 8.056 1.00 0.84 O ATOM 0 H GLU A 567 5.380 -11.670 6.700 1.00 0.38 H new ATOM 0 HA GLU A 567 5.265 -13.047 4.270 1.00 0.40 H new ATOM 0 HB2 GLU A 567 3.648 -14.450 5.425 1.00 0.49 H new ATOM 0 HB3 GLU A 567 4.921 -14.009 6.545 1.00 0.49 H new ATOM 0 HG2 GLU A 567 3.381 -12.112 7.338 1.00 0.55 H new ATOM 0 HG3 GLU A 567 2.111 -12.877 6.404 1.00 0.55 H new ATOM 1067 N ALA A 568 2.846 -10.906 4.774 1.00 0.26 N ATOM 1068 CA ALA A 568 1.693 -10.264 4.177 1.00 0.24 C ATOM 1069 C ALA A 568 2.119 -9.475 2.954 1.00 0.21 C ATOM 1070 O ALA A 568 1.480 -9.539 1.908 1.00 0.22 O ATOM 1071 CB ALA A 568 1.006 -9.361 5.191 1.00 0.25 C ATOM 0 H ALA A 568 3.168 -10.474 5.640 1.00 0.26 H new ATOM 0 HA ALA A 568 0.980 -11.028 3.867 1.00 0.24 H new ATOM 0 HB1 ALA A 568 0.141 -8.885 4.728 1.00 0.25 H new ATOM 0 HB2 ALA A 568 0.679 -9.955 6.045 1.00 0.25 H new ATOM 0 HB3 ALA A 568 1.704 -8.595 5.528 1.00 0.25 H new ATOM 1077 N ALA A 569 3.236 -8.767 3.089 1.00 0.19 N ATOM 1078 CA ALA A 569 3.726 -7.898 2.037 1.00 0.21 C ATOM 1079 C ALA A 569 4.071 -8.682 0.786 1.00 0.22 C ATOM 1080 O ALA A 569 3.673 -8.312 -0.315 1.00 0.24 O ATOM 1081 CB ALA A 569 4.944 -7.135 2.528 1.00 0.23 C ATOM 0 H ALA A 569 3.819 -8.782 3.926 1.00 0.19 H new ATOM 0 HA ALA A 569 2.934 -7.195 1.781 1.00 0.21 H new ATOM 0 HB1 ALA A 569 5.309 -6.483 1.734 1.00 0.23 H new ATOM 0 HB2 ALA A 569 4.671 -6.533 3.395 1.00 0.23 H new ATOM 0 HB3 ALA A 569 5.727 -7.840 2.807 1.00 0.23 H new ATOM 1087 N GLN A 570 4.778 -9.789 0.961 1.00 0.24 N ATOM 1088 CA GLN A 570 5.199 -10.592 -0.175 1.00 0.28 C ATOM 1089 C GLN A 570 4.001 -11.268 -0.828 1.00 0.27 C ATOM 1090 O GLN A 570 3.936 -11.382 -2.049 1.00 0.29 O ATOM 1091 CB GLN A 570 6.248 -11.629 0.239 1.00 0.34 C ATOM 1092 CG GLN A 570 5.769 -12.619 1.286 1.00 0.38 C ATOM 1093 CD GLN A 570 6.829 -13.639 1.647 1.00 0.51 C ATOM 1094 OE1 GLN A 570 8.024 -13.352 1.601 1.00 1.24 O ATOM 1095 NE2 GLN A 570 6.400 -14.838 1.994 1.00 1.04 N ATOM 0 H GLN A 570 5.069 -10.148 1.870 1.00 0.24 H new ATOM 0 HA GLN A 570 5.658 -9.926 -0.905 1.00 0.28 H new ATOM 0 HB2 GLN A 570 6.566 -12.180 -0.646 1.00 0.34 H new ATOM 0 HB3 GLN A 570 7.125 -11.108 0.623 1.00 0.34 H new ATOM 0 HG2 GLN A 570 5.470 -12.078 2.183 1.00 0.38 H new ATOM 0 HG3 GLN A 570 4.884 -13.135 0.915 1.00 0.38 H new ATOM 0 HE21 GLN A 570 5.399 -15.034 2.019 1.00 1.04 H new ATOM 0 HE22 GLN A 570 7.069 -15.568 2.237 1.00 1.04 H new ATOM 1104 N ALA A 571 3.044 -11.686 -0.007 1.00 0.26 N ATOM 1105 CA ALA A 571 1.859 -12.373 -0.497 1.00 0.27 C ATOM 1106 C ALA A 571 1.025 -11.466 -1.391 1.00 0.25 C ATOM 1107 O ALA A 571 0.567 -11.880 -2.455 1.00 0.27 O ATOM 1108 CB ALA A 571 1.023 -12.878 0.666 1.00 0.31 C ATOM 0 H ALA A 571 3.068 -11.559 1.005 1.00 0.26 H new ATOM 0 HA ALA A 571 2.187 -13.224 -1.093 1.00 0.27 H new ATOM 0 HB1 ALA A 571 0.140 -13.390 0.284 1.00 0.31 H new ATOM 0 HB2 ALA A 571 1.614 -13.571 1.265 1.00 0.31 H new ATOM 0 HB3 ALA A 571 0.715 -12.036 1.285 1.00 0.31 H new ATOM 1114 N MET A 572 0.841 -10.223 -0.962 1.00 0.25 N ATOM 1115 CA MET A 572 0.049 -9.274 -1.730 1.00 0.28 C ATOM 1116 C MET A 572 0.766 -8.911 -3.019 1.00 0.24 C ATOM 1117 O MET A 572 0.142 -8.821 -4.076 1.00 0.24 O ATOM 1118 CB MET A 572 -0.244 -8.010 -0.921 1.00 0.37 C ATOM 1119 CG MET A 572 -0.787 -8.300 0.463 1.00 0.47 C ATOM 1120 SD MET A 572 -1.511 -6.859 1.257 1.00 0.36 S ATOM 1121 CE MET A 572 -1.384 -7.342 2.978 1.00 0.33 C ATOM 0 H MET A 572 1.226 -9.852 -0.094 1.00 0.25 H new ATOM 0 HA MET A 572 -0.901 -9.751 -1.970 1.00 0.28 H new ATOM 0 HB2 MET A 572 0.671 -7.424 -0.830 1.00 0.37 H new ATOM 0 HB3 MET A 572 -0.962 -7.397 -1.465 1.00 0.37 H new ATOM 0 HG2 MET A 572 -1.540 -9.085 0.393 1.00 0.47 H new ATOM 0 HG3 MET A 572 0.018 -8.685 1.089 1.00 0.47 H new ATOM 0 HE1 MET A 572 -1.359 -6.451 3.605 1.00 0.33 H new ATOM 0 HE2 MET A 572 -2.245 -7.953 3.249 1.00 0.33 H new ATOM 0 HE3 MET A 572 -0.470 -7.917 3.128 1.00 0.33 H new ATOM 1131 N VAL A 573 2.080 -8.724 -2.935 1.00 0.24 N ATOM 1132 CA VAL A 573 2.870 -8.414 -4.117 1.00 0.27 C ATOM 1133 C VAL A 573 2.741 -9.532 -5.140 1.00 0.25 C ATOM 1134 O VAL A 573 2.432 -9.279 -6.299 1.00 0.28 O ATOM 1135 CB VAL A 573 4.364 -8.206 -3.773 1.00 0.31 C ATOM 1136 CG1 VAL A 573 5.192 -8.005 -5.035 1.00 0.34 C ATOM 1137 CG2 VAL A 573 4.537 -7.022 -2.836 1.00 0.32 C ATOM 0 H VAL A 573 2.614 -8.781 -2.068 1.00 0.24 H new ATOM 0 HA VAL A 573 2.483 -7.483 -4.531 1.00 0.27 H new ATOM 0 HB VAL A 573 4.721 -9.105 -3.270 1.00 0.31 H new ATOM 0 HG11 VAL A 573 6.238 -7.861 -4.765 1.00 0.34 H new ATOM 0 HG12 VAL A 573 5.100 -8.883 -5.674 1.00 0.34 H new ATOM 0 HG13 VAL A 573 4.832 -7.127 -5.571 1.00 0.34 H new ATOM 0 HG21 VAL A 573 5.594 -6.892 -2.606 1.00 0.32 H new ATOM 0 HG22 VAL A 573 4.156 -6.120 -3.315 1.00 0.32 H new ATOM 0 HG23 VAL A 573 3.985 -7.204 -1.914 1.00 0.32 H new ATOM 1147 N GLN A 574 2.909 -10.771 -4.688 1.00 0.23 N ATOM 1148 CA GLN A 574 2.826 -11.928 -5.573 1.00 0.25 C ATOM 1149 C GLN A 574 1.447 -12.037 -6.201 1.00 0.23 C ATOM 1150 O GLN A 574 1.312 -12.406 -7.369 1.00 0.26 O ATOM 1151 CB GLN A 574 3.145 -13.217 -4.814 1.00 0.28 C ATOM 1152 CG GLN A 574 4.571 -13.296 -4.293 1.00 0.33 C ATOM 1153 CD GLN A 574 5.617 -13.315 -5.394 1.00 1.30 C ATOM 1154 OE1 GLN A 574 5.443 -12.728 -6.465 1.00 2.04 O ATOM 1155 NE2 GLN A 574 6.714 -13.999 -5.138 1.00 2.09 N ATOM 0 H GLN A 574 3.104 -11.000 -3.713 1.00 0.23 H new ATOM 0 HA GLN A 574 3.563 -11.789 -6.364 1.00 0.25 H new ATOM 0 HB2 GLN A 574 2.457 -13.310 -3.974 1.00 0.28 H new ATOM 0 HB3 GLN A 574 2.962 -14.067 -5.471 1.00 0.28 H new ATOM 0 HG2 GLN A 574 4.758 -12.444 -3.639 1.00 0.33 H new ATOM 0 HG3 GLN A 574 4.678 -14.194 -3.685 1.00 0.33 H new ATOM 0 HE21 GLN A 574 6.823 -14.472 -4.241 1.00 2.09 H new ATOM 0 HE22 GLN A 574 7.454 -14.056 -5.837 1.00 2.09 H new ATOM 1164 N TYR A 575 0.427 -11.708 -5.423 1.00 0.20 N ATOM 1165 CA TYR A 575 -0.941 -11.800 -5.901 1.00 0.20 C ATOM 1166 C TYR A 575 -1.189 -10.761 -6.985 1.00 0.20 C ATOM 1167 O TYR A 575 -1.643 -11.092 -8.075 1.00 0.22 O ATOM 1168 CB TYR A 575 -1.939 -11.613 -4.753 1.00 0.20 C ATOM 1169 CG TYR A 575 -3.385 -11.755 -5.179 1.00 0.22 C ATOM 1170 CD1 TYR A 575 -4.166 -10.639 -5.453 1.00 0.26 C ATOM 1171 CD2 TYR A 575 -3.968 -13.009 -5.313 1.00 0.33 C ATOM 1172 CE1 TYR A 575 -5.484 -10.767 -5.846 1.00 0.34 C ATOM 1173 CE2 TYR A 575 -5.285 -13.144 -5.706 1.00 0.40 C ATOM 1174 CZ TYR A 575 -6.038 -12.021 -5.971 1.00 0.39 C ATOM 1175 OH TYR A 575 -7.350 -12.154 -6.363 1.00 0.48 O ATOM 0 H TYR A 575 0.521 -11.377 -4.463 1.00 0.20 H new ATOM 0 HA TYR A 575 -1.088 -12.795 -6.321 1.00 0.20 H new ATOM 0 HB2 TYR A 575 -1.725 -12.344 -3.974 1.00 0.20 H new ATOM 0 HB3 TYR A 575 -1.794 -10.626 -4.313 1.00 0.20 H new ATOM 0 HD1 TYR A 575 -3.735 -9.654 -5.357 1.00 0.26 H new ATOM 0 HD2 TYR A 575 -3.382 -13.892 -5.107 1.00 0.33 H new ATOM 0 HE1 TYR A 575 -6.076 -9.888 -6.054 1.00 0.34 H new ATOM 0 HE2 TYR A 575 -5.723 -14.126 -5.805 1.00 0.40 H new ATOM 0 HH TYR A 575 -7.585 -13.105 -6.403 1.00 0.48 H new ATOM 1185 N TYR A 576 -0.858 -9.510 -6.690 1.00 0.21 N ATOM 1186 CA TYR A 576 -1.113 -8.412 -7.616 1.00 0.25 C ATOM 1187 C TYR A 576 -0.115 -8.376 -8.774 1.00 0.30 C ATOM 1188 O TYR A 576 -0.338 -7.672 -9.760 1.00 0.34 O ATOM 1189 CB TYR A 576 -1.153 -7.073 -6.875 1.00 0.28 C ATOM 1190 CG TYR A 576 -2.288 -6.990 -5.874 1.00 0.26 C ATOM 1191 CD1 TYR A 576 -3.607 -7.065 -6.286 1.00 0.32 C ATOM 1192 CD2 TYR A 576 -2.037 -6.815 -4.518 1.00 0.32 C ATOM 1193 CE1 TYR A 576 -4.649 -6.968 -5.381 1.00 0.31 C ATOM 1194 CE2 TYR A 576 -3.071 -6.722 -3.606 1.00 0.36 C ATOM 1195 CZ TYR A 576 -4.367 -6.878 -4.028 1.00 0.29 C ATOM 1196 OH TYR A 576 -5.412 -6.706 -3.140 1.00 0.35 O ATOM 0 H TYR A 576 -0.412 -9.230 -5.816 1.00 0.21 H new ATOM 0 HA TYR A 576 -2.093 -8.590 -8.058 1.00 0.25 H new ATOM 0 HB2 TYR A 576 -0.206 -6.921 -6.357 1.00 0.28 H new ATOM 0 HB3 TYR A 576 -1.254 -6.265 -7.599 1.00 0.28 H new ATOM 0 HD1 TYR A 576 -3.827 -7.202 -7.334 1.00 0.32 H new ATOM 0 HD2 TYR A 576 -1.016 -6.751 -4.171 1.00 0.32 H new ATOM 0 HE1 TYR A 576 -5.672 -6.963 -5.726 1.00 0.31 H new ATOM 0 HE2 TYR A 576 -2.860 -6.527 -2.565 1.00 0.36 H new ATOM 0 HH TYR A 576 -5.061 -6.661 -2.226 1.00 0.35 H new ATOM 1206 N GLN A 577 0.986 -9.117 -8.662 1.00 0.31 N ATOM 1207 CA GLN A 577 1.886 -9.287 -9.801 1.00 0.38 C ATOM 1208 C GLN A 577 1.158 -10.032 -10.909 1.00 0.37 C ATOM 1209 O GLN A 577 1.239 -9.664 -12.082 1.00 0.42 O ATOM 1210 CB GLN A 577 3.141 -10.085 -9.419 1.00 0.45 C ATOM 1211 CG GLN A 577 4.157 -9.331 -8.576 1.00 0.52 C ATOM 1212 CD GLN A 577 4.956 -8.304 -9.356 1.00 1.04 C ATOM 1213 OE1 GLN A 577 4.468 -7.699 -10.311 1.00 1.89 O ATOM 1214 NE2 GLN A 577 6.202 -8.107 -8.956 1.00 1.57 N ATOM 0 H GLN A 577 1.273 -9.601 -7.811 1.00 0.31 H new ATOM 0 HA GLN A 577 2.194 -8.296 -10.133 1.00 0.38 H new ATOM 0 HB2 GLN A 577 2.833 -10.978 -8.875 1.00 0.45 H new ATOM 0 HB3 GLN A 577 3.630 -10.422 -10.333 1.00 0.45 H new ATOM 0 HG2 GLN A 577 3.638 -8.830 -7.759 1.00 0.52 H new ATOM 0 HG3 GLN A 577 4.844 -10.047 -8.125 1.00 0.52 H new ATOM 0 HE21 GLN A 577 6.570 -8.628 -8.160 1.00 1.57 H new ATOM 0 HE22 GLN A 577 6.794 -7.434 -9.444 1.00 1.57 H new ATOM 1223 N GLU A 578 0.440 -11.079 -10.517 1.00 0.35 N ATOM 1224 CA GLU A 578 -0.309 -11.888 -11.465 1.00 0.38 C ATOM 1225 C GLU A 578 -1.724 -11.351 -11.668 1.00 0.33 C ATOM 1226 O GLU A 578 -2.239 -11.348 -12.786 1.00 0.36 O ATOM 1227 CB GLU A 578 -0.370 -13.336 -10.975 1.00 0.42 C ATOM 1228 CG GLU A 578 0.998 -13.934 -10.682 1.00 0.52 C ATOM 1229 CD GLU A 578 1.908 -13.927 -11.891 1.00 1.24 C ATOM 1230 OE1 GLU A 578 2.723 -12.988 -12.019 1.00 2.14 O ATOM 1231 OE2 GLU A 578 1.816 -14.856 -12.717 1.00 1.31 O ATOM 0 H GLU A 578 0.362 -11.386 -9.547 1.00 0.35 H new ATOM 0 HA GLU A 578 0.207 -11.844 -12.424 1.00 0.38 H new ATOM 0 HB2 GLU A 578 -0.979 -13.381 -10.072 1.00 0.42 H new ATOM 0 HB3 GLU A 578 -0.871 -13.945 -11.727 1.00 0.42 H new ATOM 0 HG2 GLU A 578 1.469 -13.374 -9.874 1.00 0.52 H new ATOM 0 HG3 GLU A 578 0.875 -14.958 -10.331 1.00 0.52 H new ATOM 1238 N LYS A 579 -2.346 -10.886 -10.595 1.00 0.29 N ATOM 1239 CA LYS A 579 -3.689 -10.324 -10.662 1.00 0.28 C ATOM 1240 C LYS A 579 -3.733 -8.979 -9.942 1.00 0.25 C ATOM 1241 O LYS A 579 -3.981 -8.926 -8.739 1.00 0.24 O ATOM 1242 CB LYS A 579 -4.704 -11.275 -10.018 1.00 0.31 C ATOM 1243 CG LYS A 579 -4.779 -12.643 -10.675 1.00 0.42 C ATOM 1244 CD LYS A 579 -5.834 -13.515 -10.014 1.00 0.69 C ATOM 1245 CE LYS A 579 -5.915 -14.889 -10.661 1.00 1.69 C ATOM 1246 NZ LYS A 579 -4.663 -15.667 -10.479 1.00 2.46 N ATOM 0 H LYS A 579 -1.939 -10.887 -9.660 1.00 0.29 H new ATOM 0 HA LYS A 579 -3.947 -10.184 -11.712 1.00 0.28 H new ATOM 0 HB2 LYS A 579 -4.449 -11.403 -8.966 1.00 0.31 H new ATOM 0 HB3 LYS A 579 -5.691 -10.813 -10.053 1.00 0.31 H new ATOM 0 HG2 LYS A 579 -5.010 -12.528 -11.734 1.00 0.42 H new ATOM 0 HG3 LYS A 579 -3.807 -13.133 -10.612 1.00 0.42 H new ATOM 0 HD2 LYS A 579 -5.603 -13.625 -8.954 1.00 0.69 H new ATOM 0 HD3 LYS A 579 -6.805 -13.024 -10.080 1.00 0.69 H new ATOM 0 HE2 LYS A 579 -6.751 -15.442 -10.232 1.00 1.69 H new ATOM 0 HE3 LYS A 579 -6.120 -14.776 -11.726 1.00 1.69 H new ATOM 0 HZ1 LYS A 579 -4.822 -16.654 -10.767 1.00 2.46 H new ATOM 0 HZ2 LYS A 579 -3.909 -15.253 -11.064 1.00 2.46 H new ATOM 0 HZ3 LYS A 579 -4.380 -15.640 -9.479 1.00 2.46 H new ATOM 1260 N PRO A 580 -3.481 -7.879 -10.663 1.00 0.26 N ATOM 1261 CA PRO A 580 -3.465 -6.533 -10.078 1.00 0.25 C ATOM 1262 C PRO A 580 -4.845 -6.091 -9.596 1.00 0.22 C ATOM 1263 O PRO A 580 -5.868 -6.642 -10.011 1.00 0.22 O ATOM 1264 CB PRO A 580 -2.990 -5.644 -11.232 1.00 0.27 C ATOM 1265 CG PRO A 580 -3.333 -6.402 -12.465 1.00 0.37 C ATOM 1266 CD PRO A 580 -3.197 -7.855 -12.109 1.00 0.32 C ATOM 0 HA PRO A 580 -2.827 -6.483 -9.196 1.00 0.25 H new ATOM 0 HB2 PRO A 580 -3.487 -4.674 -11.214 1.00 0.27 H new ATOM 0 HB3 PRO A 580 -1.918 -5.455 -11.170 1.00 0.27 H new ATOM 0 HG2 PRO A 580 -4.347 -6.174 -12.794 1.00 0.37 H new ATOM 0 HG3 PRO A 580 -2.665 -6.137 -13.285 1.00 0.37 H new ATOM 0 HD2 PRO A 580 -3.900 -8.473 -12.667 1.00 0.32 H new ATOM 0 HD3 PRO A 580 -2.198 -8.231 -12.329 1.00 0.32 H new ATOM 1274 N ALA A 581 -4.868 -5.093 -8.724 1.00 0.22 N ATOM 1275 CA ALA A 581 -6.123 -4.574 -8.200 1.00 0.22 C ATOM 1276 C ALA A 581 -6.617 -3.436 -9.074 1.00 0.20 C ATOM 1277 O ALA A 581 -5.833 -2.599 -9.506 1.00 0.19 O ATOM 1278 CB ALA A 581 -5.940 -4.092 -6.770 1.00 0.27 C ATOM 0 H ALA A 581 -4.034 -4.628 -8.365 1.00 0.22 H new ATOM 0 HA ALA A 581 -6.863 -5.374 -8.205 1.00 0.22 H new ATOM 0 HB1 ALA A 581 -6.887 -3.707 -6.392 1.00 0.27 H new ATOM 0 HB2 ALA A 581 -5.611 -4.922 -6.145 1.00 0.27 H new ATOM 0 HB3 ALA A 581 -5.191 -3.301 -6.746 1.00 0.27 H new ATOM 1284 N ILE A 582 -7.908 -3.424 -9.356 1.00 0.23 N ATOM 1285 CA ILE A 582 -8.461 -2.460 -10.292 1.00 0.26 C ATOM 1286 C ILE A 582 -9.254 -1.368 -9.582 1.00 0.28 C ATOM 1287 O ILE A 582 -10.243 -1.645 -8.901 1.00 0.33 O ATOM 1288 CB ILE A 582 -9.381 -3.152 -11.318 1.00 0.35 C ATOM 1289 CG1 ILE A 582 -8.682 -4.370 -11.927 1.00 0.39 C ATOM 1290 CG2 ILE A 582 -9.783 -2.171 -12.411 1.00 0.39 C ATOM 1291 CD1 ILE A 582 -9.571 -5.189 -12.838 1.00 0.51 C ATOM 0 H ILE A 582 -8.590 -4.067 -8.953 1.00 0.23 H new ATOM 0 HA ILE A 582 -7.614 -2.004 -10.804 1.00 0.26 H new ATOM 0 HB ILE A 582 -10.281 -3.491 -10.805 1.00 0.35 H new ATOM 0 HG12 ILE A 582 -7.811 -4.034 -12.490 1.00 0.39 H new ATOM 0 HG13 ILE A 582 -8.315 -5.008 -11.122 1.00 0.39 H new ATOM 0 HG21 ILE A 582 -10.432 -2.672 -13.129 1.00 0.39 H new ATOM 0 HG22 ILE A 582 -10.314 -1.329 -11.967 1.00 0.39 H new ATOM 0 HG23 ILE A 582 -8.890 -1.808 -12.921 1.00 0.39 H new ATOM 0 HD11 ILE A 582 -9.008 -6.035 -13.232 1.00 0.51 H new ATOM 0 HD12 ILE A 582 -10.430 -5.556 -12.275 1.00 0.51 H new ATOM 0 HD13 ILE A 582 -9.917 -4.567 -13.664 1.00 0.51 H new ATOM 1303 N ILE A 583 -8.810 -0.130 -9.754 1.00 0.28 N ATOM 1304 CA ILE A 583 -9.552 1.031 -9.283 1.00 0.33 C ATOM 1305 C ILE A 583 -9.792 1.986 -10.442 1.00 0.36 C ATOM 1306 O ILE A 583 -8.847 2.564 -10.980 1.00 0.35 O ATOM 1307 CB ILE A 583 -8.805 1.788 -8.162 1.00 0.32 C ATOM 1308 CG1 ILE A 583 -8.733 0.949 -6.882 1.00 0.32 C ATOM 1309 CG2 ILE A 583 -9.478 3.128 -7.889 1.00 0.38 C ATOM 1310 CD1 ILE A 583 -10.079 0.689 -6.242 1.00 0.51 C ATOM 0 H ILE A 583 -7.932 0.097 -10.221 1.00 0.28 H new ATOM 0 HA ILE A 583 -10.496 0.669 -8.876 1.00 0.33 H new ATOM 0 HB ILE A 583 -7.785 1.972 -8.498 1.00 0.32 H new ATOM 0 HG12 ILE A 583 -8.260 -0.006 -7.112 1.00 0.32 H new ATOM 0 HG13 ILE A 583 -8.092 1.457 -6.162 1.00 0.32 H new ATOM 0 HG21 ILE A 583 -8.941 3.650 -7.097 1.00 0.38 H new ATOM 0 HG22 ILE A 583 -9.466 3.733 -8.796 1.00 0.38 H new ATOM 0 HG23 ILE A 583 -10.509 2.961 -7.579 1.00 0.38 H new ATOM 0 HD11 ILE A 583 -9.944 0.089 -5.342 1.00 0.51 H new ATOM 0 HD12 ILE A 583 -10.546 1.638 -5.979 1.00 0.51 H new ATOM 0 HD13 ILE A 583 -10.718 0.152 -6.943 1.00 0.51 H new ATOM 1322 N ASN A 584 -11.055 2.124 -10.839 1.00 0.41 N ATOM 1323 CA ASN A 584 -11.438 3.005 -11.941 1.00 0.47 C ATOM 1324 C ASN A 584 -10.648 2.664 -13.197 1.00 0.45 C ATOM 1325 O ASN A 584 -10.175 3.542 -13.922 1.00 0.50 O ATOM 1326 CB ASN A 584 -11.256 4.479 -11.567 1.00 0.55 C ATOM 1327 CG ASN A 584 -12.242 4.929 -10.509 1.00 0.62 C ATOM 1328 OD1 ASN A 584 -13.353 4.407 -10.411 1.00 1.10 O ATOM 1329 ND2 ASN A 584 -11.852 5.913 -9.719 1.00 0.91 N ATOM 0 H ASN A 584 -11.838 1.632 -10.409 1.00 0.41 H new ATOM 0 HA ASN A 584 -12.497 2.845 -12.145 1.00 0.47 H new ATOM 0 HB2 ASN A 584 -10.240 4.637 -11.205 1.00 0.55 H new ATOM 0 HB3 ASN A 584 -11.376 5.095 -12.458 1.00 0.55 H new ATOM 0 HD21 ASN A 584 -12.479 6.266 -8.997 1.00 0.91 H new ATOM 0 HD22 ASN A 584 -10.923 6.320 -9.831 1.00 0.91 H new ATOM 1336 N GLY A 585 -10.491 1.369 -13.421 1.00 0.42 N ATOM 1337 CA GLY A 585 -9.835 0.884 -14.615 1.00 0.44 C ATOM 1338 C GLY A 585 -8.320 0.897 -14.533 1.00 0.39 C ATOM 1339 O GLY A 585 -7.646 0.531 -15.496 1.00 0.42 O ATOM 0 H GLY A 585 -10.811 0.637 -12.787 1.00 0.42 H new ATOM 0 HA2 GLY A 585 -10.170 -0.134 -14.813 1.00 0.44 H new ATOM 0 HA3 GLY A 585 -10.148 1.493 -15.463 1.00 0.44 H new ATOM 1343 N GLU A 586 -7.773 1.299 -13.396 1.00 0.35 N ATOM 1344 CA GLU A 586 -6.327 1.346 -13.243 1.00 0.32 C ATOM 1345 C GLU A 586 -5.822 0.124 -12.491 1.00 0.24 C ATOM 1346 O GLU A 586 -6.315 -0.207 -11.410 1.00 0.26 O ATOM 1347 CB GLU A 586 -5.910 2.614 -12.498 1.00 0.43 C ATOM 1348 CG GLU A 586 -6.313 3.899 -13.199 1.00 0.57 C ATOM 1349 CD GLU A 586 -5.694 4.032 -14.575 1.00 0.91 C ATOM 1350 OE1 GLU A 586 -4.462 4.202 -14.663 1.00 0.90 O ATOM 1351 OE2 GLU A 586 -6.442 3.995 -15.575 1.00 1.79 O ATOM 0 H GLU A 586 -8.301 1.594 -12.575 1.00 0.35 H new ATOM 0 HA GLU A 586 -5.885 1.353 -14.239 1.00 0.32 H new ATOM 0 HB2 GLU A 586 -6.352 2.601 -11.502 1.00 0.43 H new ATOM 0 HB3 GLU A 586 -4.828 2.607 -12.366 1.00 0.43 H new ATOM 0 HG2 GLU A 586 -7.399 3.934 -13.288 1.00 0.57 H new ATOM 0 HG3 GLU A 586 -6.016 4.751 -12.587 1.00 0.57 H new ATOM 1358 N LYS A 587 -4.864 -0.563 -13.102 1.00 0.21 N ATOM 1359 CA LYS A 587 -4.206 -1.702 -12.476 1.00 0.19 C ATOM 1360 C LYS A 587 -3.223 -1.224 -11.413 1.00 0.17 C ATOM 1361 O LYS A 587 -2.177 -0.657 -11.734 1.00 0.22 O ATOM 1362 CB LYS A 587 -3.446 -2.520 -13.524 1.00 0.23 C ATOM 1363 CG LYS A 587 -4.244 -2.842 -14.780 1.00 0.33 C ATOM 1364 CD LYS A 587 -5.449 -3.720 -14.490 1.00 1.14 C ATOM 1365 CE LYS A 587 -6.165 -4.099 -15.776 1.00 1.10 C ATOM 1366 NZ LYS A 587 -7.361 -4.943 -15.521 1.00 1.67 N ATOM 0 H LYS A 587 -4.524 -0.348 -14.039 1.00 0.21 H new ATOM 0 HA LYS A 587 -4.971 -2.325 -12.013 1.00 0.19 H new ATOM 0 HB2 LYS A 587 -2.548 -1.973 -13.811 1.00 0.23 H new ATOM 0 HB3 LYS A 587 -3.118 -3.454 -13.068 1.00 0.23 H new ATOM 0 HG2 LYS A 587 -4.577 -1.914 -15.244 1.00 0.33 H new ATOM 0 HG3 LYS A 587 -3.597 -3.343 -15.500 1.00 0.33 H new ATOM 0 HD2 LYS A 587 -5.130 -4.622 -13.967 1.00 1.14 H new ATOM 0 HD3 LYS A 587 -6.136 -3.194 -13.828 1.00 1.14 H new ATOM 0 HE2 LYS A 587 -6.466 -3.194 -16.303 1.00 1.10 H new ATOM 0 HE3 LYS A 587 -5.476 -4.634 -16.430 1.00 1.10 H new ATOM 0 HZ1 LYS A 587 -7.819 -5.178 -16.425 1.00 1.67 H new ATOM 0 HZ2 LYS A 587 -7.072 -5.819 -15.041 1.00 1.67 H new ATOM 0 HZ3 LYS A 587 -8.031 -4.423 -14.919 1.00 1.67 H new ATOM 1380 N LEU A 588 -3.545 -1.471 -10.157 1.00 0.15 N ATOM 1381 CA LEU A 588 -2.701 -1.047 -9.055 1.00 0.15 C ATOM 1382 C LEU A 588 -1.560 -2.028 -8.848 1.00 0.17 C ATOM 1383 O LEU A 588 -1.754 -3.246 -8.884 1.00 0.21 O ATOM 1384 CB LEU A 588 -3.522 -0.934 -7.772 1.00 0.16 C ATOM 1385 CG LEU A 588 -4.755 -0.036 -7.865 1.00 0.18 C ATOM 1386 CD1 LEU A 588 -5.458 0.033 -6.526 1.00 0.24 C ATOM 1387 CD2 LEU A 588 -4.381 1.354 -8.341 1.00 0.16 C ATOM 0 H LEU A 588 -4.390 -1.966 -9.873 1.00 0.15 H new ATOM 0 HA LEU A 588 -2.285 -0.070 -9.300 1.00 0.15 H new ATOM 0 HB2 LEU A 588 -3.841 -1.933 -7.475 1.00 0.16 H new ATOM 0 HB3 LEU A 588 -2.877 -0.557 -6.979 1.00 0.16 H new ATOM 0 HG LEU A 588 -5.437 -0.470 -8.596 1.00 0.18 H new ATOM 0 HD11 LEU A 588 -6.334 0.676 -6.608 1.00 0.24 H new ATOM 0 HD12 LEU A 588 -5.769 -0.968 -6.226 1.00 0.24 H new ATOM 0 HD13 LEU A 588 -4.777 0.440 -5.778 1.00 0.24 H new ATOM 0 HD21 LEU A 588 -5.277 1.972 -8.398 1.00 0.16 H new ATOM 0 HD22 LEU A 588 -3.676 1.801 -7.640 1.00 0.16 H new ATOM 0 HD23 LEU A 588 -3.921 1.289 -9.327 1.00 0.16 H new ATOM 1399 N LEU A 589 -0.376 -1.490 -8.624 1.00 0.17 N ATOM 1400 CA LEU A 589 0.811 -2.311 -8.453 1.00 0.19 C ATOM 1401 C LEU A 589 1.333 -2.213 -7.024 1.00 0.18 C ATOM 1402 O LEU A 589 1.798 -1.155 -6.599 1.00 0.18 O ATOM 1403 CB LEU A 589 1.896 -1.890 -9.445 1.00 0.23 C ATOM 1404 CG LEU A 589 3.141 -2.776 -9.458 1.00 0.30 C ATOM 1405 CD1 LEU A 589 2.780 -4.189 -9.884 1.00 0.37 C ATOM 1406 CD2 LEU A 589 4.196 -2.197 -10.383 1.00 0.38 C ATOM 0 H LEU A 589 -0.209 -0.486 -8.556 1.00 0.17 H new ATOM 0 HA LEU A 589 0.541 -3.349 -8.649 1.00 0.19 H new ATOM 0 HB2 LEU A 589 1.466 -1.879 -10.447 1.00 0.23 H new ATOM 0 HB3 LEU A 589 2.199 -0.868 -9.217 1.00 0.23 H new ATOM 0 HG LEU A 589 3.550 -2.812 -8.448 1.00 0.30 H new ATOM 0 HD11 LEU A 589 3.677 -4.808 -9.888 1.00 0.37 H new ATOM 0 HD12 LEU A 589 2.055 -4.606 -9.185 1.00 0.37 H new ATOM 0 HD13 LEU A 589 2.349 -4.168 -10.885 1.00 0.37 H new ATOM 0 HD21 LEU A 589 5.076 -2.841 -10.380 1.00 0.38 H new ATOM 0 HD22 LEU A 589 3.797 -2.133 -11.395 1.00 0.38 H new ATOM 0 HD23 LEU A 589 4.474 -1.201 -10.039 1.00 0.38 H new ATOM 1418 N ILE A 590 1.236 -3.307 -6.283 1.00 0.18 N ATOM 1419 CA ILE A 590 1.762 -3.360 -4.926 1.00 0.18 C ATOM 1420 C ILE A 590 3.095 -4.103 -4.909 1.00 0.20 C ATOM 1421 O ILE A 590 3.164 -5.260 -5.320 1.00 0.26 O ATOM 1422 CB ILE A 590 0.774 -4.055 -3.958 1.00 0.19 C ATOM 1423 CG1 ILE A 590 -0.588 -3.347 -3.986 1.00 0.19 C ATOM 1424 CG2 ILE A 590 1.339 -4.082 -2.544 1.00 0.19 C ATOM 1425 CD1 ILE A 590 -1.547 -3.796 -2.898 1.00 0.21 C ATOM 0 H ILE A 590 0.797 -4.172 -6.599 1.00 0.18 H new ATOM 0 HA ILE A 590 1.906 -2.333 -4.589 1.00 0.18 H new ATOM 0 HB ILE A 590 0.633 -5.085 -4.287 1.00 0.19 H new ATOM 0 HG12 ILE A 590 -0.428 -2.273 -3.893 1.00 0.19 H new ATOM 0 HG13 ILE A 590 -1.053 -3.517 -4.957 1.00 0.19 H new ATOM 0 HG21 ILE A 590 0.630 -4.574 -1.878 1.00 0.19 H new ATOM 0 HG22 ILE A 590 2.282 -4.629 -2.539 1.00 0.19 H new ATOM 0 HG23 ILE A 590 1.510 -3.062 -2.201 1.00 0.19 H new ATOM 0 HD11 ILE A 590 -2.484 -3.247 -2.990 1.00 0.21 H new ATOM 0 HD12 ILE A 590 -1.740 -4.864 -3.001 1.00 0.21 H new ATOM 0 HD13 ILE A 590 -1.106 -3.600 -1.921 1.00 0.21 H new ATOM 1437 N ARG A 591 4.148 -3.430 -4.453 1.00 0.18 N ATOM 1438 CA ARG A 591 5.491 -4.011 -4.428 1.00 0.22 C ATOM 1439 C ARG A 591 6.287 -3.477 -3.240 1.00 0.18 C ATOM 1440 O ARG A 591 5.913 -2.476 -2.629 1.00 0.19 O ATOM 1441 CB ARG A 591 6.241 -3.714 -5.733 1.00 0.33 C ATOM 1442 CG ARG A 591 5.731 -4.512 -6.922 1.00 0.45 C ATOM 1443 CD ARG A 591 6.554 -4.260 -8.170 1.00 0.65 C ATOM 1444 NE ARG A 591 6.063 -5.038 -9.307 1.00 1.33 N ATOM 1445 CZ ARG A 591 6.569 -4.967 -10.537 1.00 1.69 C ATOM 1446 NH1 ARG A 591 7.591 -4.161 -10.794 1.00 1.56 N ATOM 1447 NH2 ARG A 591 6.058 -5.714 -11.506 1.00 2.62 N ATOM 0 H ARG A 591 4.098 -2.477 -4.094 1.00 0.18 H new ATOM 0 HA ARG A 591 5.385 -5.091 -4.325 1.00 0.22 H new ATOM 0 HB2 ARG A 591 6.157 -2.651 -5.957 1.00 0.33 H new ATOM 0 HB3 ARG A 591 7.300 -3.927 -5.590 1.00 0.33 H new ATOM 0 HG2 ARG A 591 5.753 -5.575 -6.682 1.00 0.45 H new ATOM 0 HG3 ARG A 591 4.691 -4.250 -7.115 1.00 0.45 H new ATOM 0 HD2 ARG A 591 6.526 -3.199 -8.416 1.00 0.65 H new ATOM 0 HD3 ARG A 591 7.596 -4.515 -7.977 1.00 0.65 H new ATOM 0 HE ARG A 591 5.283 -5.676 -9.148 1.00 1.33 H new ATOM 0 HH11 ARG A 591 7.992 -3.593 -10.048 1.00 1.56 H new ATOM 0 HH12 ARG A 591 7.975 -4.110 -11.737 1.00 1.56 H new ATOM 0 HH21 ARG A 591 5.279 -6.342 -11.309 1.00 2.62 H new ATOM 0 HH22 ARG A 591 6.444 -5.661 -12.449 1.00 2.62 H new ATOM 1461 N MET A 592 7.392 -4.143 -2.930 1.00 0.17 N ATOM 1462 CA MET A 592 8.241 -3.737 -1.817 1.00 0.18 C ATOM 1463 C MET A 592 9.168 -2.616 -2.259 1.00 0.21 C ATOM 1464 O MET A 592 9.711 -2.650 -3.365 1.00 0.29 O ATOM 1465 CB MET A 592 9.070 -4.910 -1.288 1.00 0.19 C ATOM 1466 CG MET A 592 8.260 -5.974 -0.566 1.00 0.22 C ATOM 1467 SD MET A 592 9.312 -7.211 0.220 1.00 0.29 S ATOM 1468 CE MET A 592 8.087 -8.268 0.991 1.00 0.34 C ATOM 0 H MET A 592 7.721 -4.967 -3.433 1.00 0.17 H new ATOM 0 HA MET A 592 7.595 -3.388 -1.012 1.00 0.18 H new ATOM 0 HB2 MET A 592 9.595 -5.374 -2.123 1.00 0.19 H new ATOM 0 HB3 MET A 592 9.830 -4.525 -0.608 1.00 0.19 H new ATOM 0 HG2 MET A 592 7.632 -5.501 0.189 1.00 0.22 H new ATOM 0 HG3 MET A 592 7.593 -6.464 -1.275 1.00 0.22 H new ATOM 0 HE1 MET A 592 8.467 -9.288 1.042 1.00 0.34 H new ATOM 0 HE2 MET A 592 7.878 -7.908 1.998 1.00 0.34 H new ATOM 0 HE3 MET A 592 7.170 -8.251 0.402 1.00 0.34 H new ATOM 1478 N SER A 593 9.353 -1.628 -1.395 1.00 0.23 N ATOM 1479 CA SER A 593 10.158 -0.467 -1.736 1.00 0.26 C ATOM 1480 C SER A 593 11.645 -0.710 -1.483 1.00 0.25 C ATOM 1481 O SER A 593 12.034 -1.324 -0.486 1.00 0.27 O ATOM 1482 CB SER A 593 9.668 0.741 -0.953 1.00 0.34 C ATOM 1483 OG SER A 593 8.294 0.964 -1.208 1.00 1.37 O ATOM 0 H SER A 593 8.957 -1.608 -0.455 1.00 0.23 H new ATOM 0 HA SER A 593 10.045 -0.276 -2.803 1.00 0.26 H new ATOM 0 HB2 SER A 593 9.826 0.581 0.114 1.00 0.34 H new ATOM 0 HB3 SER A 593 10.245 1.623 -1.232 1.00 0.34 H new ATOM 0 HG SER A 593 7.987 0.350 -1.907 1.00 1.37 H new ATOM 1489 N THR A 594 12.451 -0.216 -2.410 1.00 0.27 N ATOM 1490 CA THR A 594 13.891 -0.426 -2.396 1.00 0.30 C ATOM 1491 C THR A 594 14.641 0.686 -1.656 1.00 0.31 C ATOM 1492 O THR A 594 15.810 0.523 -1.297 1.00 0.33 O ATOM 1493 CB THR A 594 14.434 -0.554 -3.832 1.00 0.35 C ATOM 1494 OG1 THR A 594 13.910 0.503 -4.649 1.00 0.38 O ATOM 1495 CG2 THR A 594 14.062 -1.901 -4.436 1.00 0.38 C ATOM 0 H THR A 594 12.124 0.344 -3.197 1.00 0.27 H new ATOM 0 HA THR A 594 14.065 -1.356 -1.854 1.00 0.30 H new ATOM 0 HB THR A 594 15.521 -0.480 -3.794 1.00 0.35 H new ATOM 0 HG1 THR A 594 14.261 0.417 -5.560 1.00 0.38 H new ATOM 0 HG21 THR A 594 14.457 -1.967 -5.450 1.00 0.38 H new ATOM 0 HG22 THR A 594 14.485 -2.701 -3.829 1.00 0.38 H new ATOM 0 HG23 THR A 594 12.977 -2.001 -4.462 1.00 0.38 H new ATOM 1503 N ARG A 595 13.976 1.810 -1.415 1.00 0.32 N ATOM 1504 CA ARG A 595 14.665 2.979 -0.870 1.00 0.37 C ATOM 1505 C ARG A 595 14.379 3.174 0.616 1.00 0.37 C ATOM 1506 O ARG A 595 15.203 3.724 1.346 1.00 0.41 O ATOM 1507 CB ARG A 595 14.300 4.239 -1.655 1.00 0.41 C ATOM 1508 CG ARG A 595 14.744 4.192 -3.107 1.00 0.46 C ATOM 1509 CD ARG A 595 14.462 5.500 -3.823 1.00 0.56 C ATOM 1510 NE ARG A 595 15.210 6.616 -3.246 1.00 1.36 N ATOM 1511 CZ ARG A 595 14.764 7.871 -3.200 1.00 1.67 C ATOM 1512 NH1 ARG A 595 13.577 8.177 -3.713 1.00 1.16 N ATOM 1513 NH2 ARG A 595 15.513 8.821 -2.656 1.00 2.75 N ATOM 0 H ARG A 595 12.978 1.939 -1.584 1.00 0.32 H new ATOM 0 HA ARG A 595 15.735 2.797 -0.975 1.00 0.37 H new ATOM 0 HB2 ARG A 595 13.220 4.382 -1.617 1.00 0.41 H new ATOM 0 HB3 ARG A 595 14.754 5.104 -1.171 1.00 0.41 H new ATOM 0 HG2 ARG A 595 15.811 3.974 -3.154 1.00 0.46 H new ATOM 0 HG3 ARG A 595 14.229 3.379 -3.619 1.00 0.46 H new ATOM 0 HD2 ARG A 595 14.719 5.398 -4.877 1.00 0.56 H new ATOM 0 HD3 ARG A 595 13.395 5.716 -3.775 1.00 0.56 H new ATOM 0 HE ARG A 595 16.131 6.422 -2.854 1.00 1.36 H new ATOM 0 HH11 ARG A 595 13.005 7.451 -4.143 1.00 1.16 H new ATOM 0 HH12 ARG A 595 13.238 9.138 -3.676 1.00 1.16 H new ATOM 0 HH21 ARG A 595 16.430 8.591 -2.273 1.00 2.75 H new ATOM 0 HH22 ARG A 595 15.172 9.782 -2.621 1.00 2.75 H new ATOM 1527 N TYR A 596 13.218 2.722 1.070 1.00 0.35 N ATOM 1528 CA TYR A 596 12.843 2.881 2.469 1.00 0.37 C ATOM 1529 C TYR A 596 12.649 1.535 3.153 1.00 0.35 C ATOM 1530 O TYR A 596 12.267 0.547 2.521 1.00 0.36 O ATOM 1531 CB TYR A 596 11.573 3.727 2.599 1.00 0.39 C ATOM 1532 CG TYR A 596 11.801 5.205 2.373 1.00 0.43 C ATOM 1533 CD1 TYR A 596 11.930 5.726 1.092 1.00 0.48 C ATOM 1534 CD2 TYR A 596 11.887 6.080 3.448 1.00 0.54 C ATOM 1535 CE1 TYR A 596 12.141 7.076 0.891 1.00 0.54 C ATOM 1536 CE2 TYR A 596 12.095 7.431 3.254 1.00 0.61 C ATOM 1537 CZ TYR A 596 12.223 7.924 1.974 1.00 0.56 C ATOM 1538 OH TYR A 596 12.427 9.271 1.777 1.00 0.65 O ATOM 0 H TYR A 596 12.523 2.245 0.495 1.00 0.35 H new ATOM 0 HA TYR A 596 13.663 3.398 2.968 1.00 0.37 H new ATOM 0 HB2 TYR A 596 10.834 3.369 1.883 1.00 0.39 H new ATOM 0 HB3 TYR A 596 11.150 3.581 3.593 1.00 0.39 H new ATOM 0 HD1 TYR A 596 11.864 5.065 0.240 1.00 0.48 H new ATOM 0 HD2 TYR A 596 11.789 5.697 4.453 1.00 0.54 H new ATOM 0 HE1 TYR A 596 12.241 7.466 -0.111 1.00 0.54 H new ATOM 0 HE2 TYR A 596 12.157 8.098 4.101 1.00 0.61 H new ATOM 0 HH TYR A 596 12.459 9.727 2.644 1.00 0.65 H new ATOM 1548 N LYS A 597 12.916 1.514 4.453 1.00 0.38 N ATOM 1549 CA LYS A 597 12.814 0.294 5.243 1.00 0.41 C ATOM 1550 C LYS A 597 11.605 0.331 6.162 1.00 0.41 C ATOM 1551 O LYS A 597 11.064 -0.707 6.504 1.00 0.48 O ATOM 1552 CB LYS A 597 14.081 0.087 6.065 1.00 0.50 C ATOM 1553 CG LYS A 597 15.300 -0.251 5.223 1.00 0.62 C ATOM 1554 CD LYS A 597 16.538 0.458 5.739 1.00 1.29 C ATOM 1555 CE LYS A 597 16.464 1.955 5.480 1.00 1.67 C ATOM 1556 NZ LYS A 597 16.848 2.309 4.086 1.00 2.18 N ATOM 0 H LYS A 597 13.207 2.334 4.985 1.00 0.38 H new ATOM 0 HA LYS A 597 12.693 -0.540 4.551 1.00 0.41 H new ATOM 0 HB2 LYS A 597 14.285 0.991 6.639 1.00 0.50 H new ATOM 0 HB3 LYS A 597 13.912 -0.715 6.784 1.00 0.50 H new ATOM 0 HG2 LYS A 597 15.464 -1.328 5.233 1.00 0.62 H new ATOM 0 HG3 LYS A 597 15.120 0.035 4.187 1.00 0.62 H new ATOM 0 HD2 LYS A 597 16.645 0.276 6.808 1.00 1.29 H new ATOM 0 HD3 LYS A 597 17.424 0.046 5.256 1.00 1.29 H new ATOM 0 HE2 LYS A 597 15.450 2.305 5.675 1.00 1.67 H new ATOM 0 HE3 LYS A 597 17.120 2.475 6.178 1.00 1.67 H new ATOM 0 HZ1 LYS A 597 16.782 3.339 3.959 1.00 2.18 H new ATOM 0 HZ2 LYS A 597 17.825 2.000 3.906 1.00 2.18 H new ATOM 0 HZ3 LYS A 597 16.206 1.836 3.418 1.00 2.18 H new ATOM 1570 N GLU A 598 11.166 1.524 6.534 1.00 0.38 N ATOM 1571 CA GLU A 598 10.014 1.661 7.415 1.00 0.41 C ATOM 1572 C GLU A 598 9.167 2.861 7.011 1.00 0.34 C ATOM 1573 O GLU A 598 9.676 3.836 6.459 1.00 0.33 O ATOM 1574 CB GLU A 598 10.477 1.808 8.867 1.00 0.55 C ATOM 1575 CG GLU A 598 9.339 1.924 9.867 1.00 0.62 C ATOM 1576 CD GLU A 598 9.833 2.040 11.288 1.00 0.80 C ATOM 1577 OE1 GLU A 598 9.974 0.997 11.960 1.00 0.95 O ATOM 1578 OE2 GLU A 598 10.086 3.177 11.743 1.00 0.91 O ATOM 0 H GLU A 598 11.586 2.406 6.242 1.00 0.38 H new ATOM 0 HA GLU A 598 9.403 0.763 7.326 1.00 0.41 H new ATOM 0 HB2 GLU A 598 11.093 0.948 9.130 1.00 0.55 H new ATOM 0 HB3 GLU A 598 11.111 2.691 8.948 1.00 0.55 H new ATOM 0 HG2 GLU A 598 8.732 2.796 9.624 1.00 0.62 H new ATOM 0 HG3 GLU A 598 8.692 1.051 9.780 1.00 0.62 H new ATOM 1585 N LEU A 599 7.873 2.768 7.281 1.00 0.36 N ATOM 1586 CA LEU A 599 6.948 3.838 6.955 1.00 0.32 C ATOM 1587 C LEU A 599 6.714 4.758 8.143 1.00 0.33 C ATOM 1588 O LEU A 599 6.334 4.321 9.232 1.00 0.37 O ATOM 1589 CB LEU A 599 5.625 3.262 6.452 1.00 0.33 C ATOM 1590 CG LEU A 599 5.721 2.525 5.116 1.00 0.37 C ATOM 1591 CD1 LEU A 599 4.357 2.061 4.647 1.00 0.45 C ATOM 1592 CD2 LEU A 599 6.365 3.410 4.065 1.00 0.33 C ATOM 0 H LEU A 599 7.441 1.959 7.727 1.00 0.36 H new ATOM 0 HA LEU A 599 7.397 4.435 6.161 1.00 0.32 H new ATOM 0 HB2 LEU A 599 5.233 2.576 7.203 1.00 0.33 H new ATOM 0 HB3 LEU A 599 4.904 4.074 6.354 1.00 0.33 H new ATOM 0 HG LEU A 599 6.346 1.644 5.265 1.00 0.37 H new ATOM 0 HD11 LEU A 599 4.457 1.540 3.695 1.00 0.45 H new ATOM 0 HD12 LEU A 599 3.928 1.385 5.387 1.00 0.45 H new ATOM 0 HD13 LEU A 599 3.702 2.924 4.522 1.00 0.45 H new ATOM 0 HD21 LEU A 599 6.425 2.869 3.121 1.00 0.33 H new ATOM 0 HD22 LEU A 599 5.765 4.310 3.930 1.00 0.33 H new ATOM 0 HD23 LEU A 599 7.368 3.688 4.388 1.00 0.33 H new ATOM 1604 N GLN A 600 6.967 6.036 7.916 1.00 0.36 N ATOM 1605 CA GLN A 600 6.804 7.059 8.934 1.00 0.44 C ATOM 1606 C GLN A 600 5.521 7.853 8.699 1.00 0.39 C ATOM 1607 O GLN A 600 5.321 8.414 7.621 1.00 0.43 O ATOM 1608 CB GLN A 600 8.017 7.994 8.910 1.00 0.59 C ATOM 1609 CG GLN A 600 7.828 9.290 9.678 1.00 0.85 C ATOM 1610 CD GLN A 600 9.045 10.187 9.595 1.00 1.10 C ATOM 1611 OE1 GLN A 600 9.932 10.134 10.447 1.00 1.52 O ATOM 1612 NE2 GLN A 600 9.109 11.003 8.554 1.00 1.34 N ATOM 0 H GLN A 600 7.292 6.394 7.018 1.00 0.36 H new ATOM 0 HA GLN A 600 6.732 6.581 9.911 1.00 0.44 H new ATOM 0 HB2 GLN A 600 8.876 7.464 9.322 1.00 0.59 H new ATOM 0 HB3 GLN A 600 8.256 8.232 7.874 1.00 0.59 H new ATOM 0 HG2 GLN A 600 6.961 9.820 9.285 1.00 0.85 H new ATOM 0 HG3 GLN A 600 7.616 9.063 10.723 1.00 0.85 H new ATOM 0 HE21 GLN A 600 8.353 11.017 7.870 1.00 1.34 H new ATOM 0 HE22 GLN A 600 9.915 11.618 8.437 1.00 1.34 H new ATOM 1621 N LEU A 601 4.660 7.897 9.702 1.00 0.37 N ATOM 1622 CA LEU A 601 3.419 8.651 9.606 1.00 0.34 C ATOM 1623 C LEU A 601 3.651 10.127 9.908 1.00 0.39 C ATOM 1624 O LEU A 601 3.663 10.532 11.071 1.00 0.46 O ATOM 1625 CB LEU A 601 2.369 8.109 10.581 1.00 0.36 C ATOM 1626 CG LEU A 601 1.869 6.687 10.322 1.00 0.34 C ATOM 1627 CD1 LEU A 601 0.850 6.303 11.382 1.00 0.46 C ATOM 1628 CD2 LEU A 601 1.259 6.568 8.932 1.00 0.32 C ATOM 0 H LEU A 601 4.797 7.420 10.593 1.00 0.37 H new ATOM 0 HA LEU A 601 3.056 8.542 8.584 1.00 0.34 H new ATOM 0 HB2 LEU A 601 2.786 8.146 11.587 1.00 0.36 H new ATOM 0 HB3 LEU A 601 1.511 8.781 10.567 1.00 0.36 H new ATOM 0 HG LEU A 601 2.717 6.004 10.374 1.00 0.34 H new ATOM 0 HD11 LEU A 601 0.495 5.289 11.195 1.00 0.46 H new ATOM 0 HD12 LEU A 601 1.315 6.349 12.367 1.00 0.46 H new ATOM 0 HD13 LEU A 601 0.008 6.995 11.345 1.00 0.46 H new ATOM 0 HD21 LEU A 601 0.911 5.547 8.773 1.00 0.32 H new ATOM 0 HD22 LEU A 601 0.418 7.256 8.844 1.00 0.32 H new ATOM 0 HD23 LEU A 601 2.010 6.816 8.182 1.00 0.32 H new ATOM 1640 N LYS A 602 3.855 10.929 8.873 1.00 0.41 N ATOM 1641 CA LYS A 602 3.866 12.378 9.041 1.00 0.48 C ATOM 1642 C LYS A 602 2.433 12.882 9.114 1.00 0.46 C ATOM 1643 O LYS A 602 2.164 13.987 9.581 1.00 0.51 O ATOM 1644 CB LYS A 602 4.609 13.072 7.899 1.00 0.59 C ATOM 1645 CG LYS A 602 6.094 12.747 7.847 1.00 0.69 C ATOM 1646 CD LYS A 602 6.842 13.688 6.913 1.00 0.93 C ATOM 1647 CE LYS A 602 6.260 13.665 5.510 1.00 1.49 C ATOM 1648 NZ LYS A 602 6.976 14.587 4.592 1.00 1.73 N ATOM 0 H LYS A 602 4.014 10.608 7.918 1.00 0.41 H new ATOM 0 HA LYS A 602 4.393 12.614 9.966 1.00 0.48 H new ATOM 0 HB2 LYS A 602 4.150 12.786 6.952 1.00 0.59 H new ATOM 0 HB3 LYS A 602 4.486 14.150 8.000 1.00 0.59 H new ATOM 0 HG2 LYS A 602 6.517 12.816 8.849 1.00 0.69 H new ATOM 0 HG3 LYS A 602 6.230 11.718 7.513 1.00 0.69 H new ATOM 0 HD2 LYS A 602 6.800 14.703 7.308 1.00 0.93 H new ATOM 0 HD3 LYS A 602 7.894 13.404 6.876 1.00 0.93 H new ATOM 0 HE2 LYS A 602 6.309 12.650 5.115 1.00 1.49 H new ATOM 0 HE3 LYS A 602 5.206 13.941 5.551 1.00 1.49 H new ATOM 0 HZ1 LYS A 602 6.546 14.539 3.646 1.00 1.73 H new ATOM 0 HZ2 LYS A 602 6.908 15.560 4.954 1.00 1.73 H new ATOM 0 HZ3 LYS A 602 7.976 14.309 4.532 1.00 1.73 H new ATOM 1662 N LYS A 603 1.521 12.049 8.635 1.00 0.44 N ATOM 1663 CA LYS A 603 0.097 12.309 8.733 1.00 0.48 C ATOM 1664 C LYS A 603 -0.548 11.185 9.530 1.00 0.54 C ATOM 1665 O LYS A 603 -0.299 10.012 9.254 1.00 0.62 O ATOM 1666 CB LYS A 603 -0.535 12.393 7.338 1.00 0.58 C ATOM 1667 CG LYS A 603 0.020 13.516 6.474 1.00 0.65 C ATOM 1668 CD LYS A 603 -0.297 14.882 7.058 1.00 0.79 C ATOM 1669 CE LYS A 603 0.311 15.999 6.223 1.00 0.90 C ATOM 1670 NZ LYS A 603 -0.206 16.006 4.826 1.00 1.69 N ATOM 0 H LYS A 603 1.751 11.172 8.167 1.00 0.44 H new ATOM 0 HA LYS A 603 -0.064 13.264 9.234 1.00 0.48 H new ATOM 0 HB2 LYS A 603 -0.383 11.444 6.824 1.00 0.58 H new ATOM 0 HB3 LYS A 603 -1.611 12.529 7.445 1.00 0.58 H new ATOM 0 HG2 LYS A 603 1.100 13.402 6.379 1.00 0.65 H new ATOM 0 HG3 LYS A 603 -0.398 13.443 5.470 1.00 0.65 H new ATOM 0 HD2 LYS A 603 -1.378 15.014 7.113 1.00 0.79 H new ATOM 0 HD3 LYS A 603 0.083 14.940 8.078 1.00 0.79 H new ATOM 0 HE2 LYS A 603 0.096 16.959 6.692 1.00 0.90 H new ATOM 0 HE3 LYS A 603 1.395 15.888 6.206 1.00 0.90 H new ATOM 0 HZ1 LYS A 603 0.102 16.876 4.346 1.00 1.69 H new ATOM 0 HZ2 LYS A 603 0.164 15.179 4.315 1.00 1.69 H new ATOM 0 HZ3 LYS A 603 -1.245 15.968 4.840 1.00 1.69 H new ATOM 1727 N ASN A 607 -8.595 4.420 13.003 1.00 0.65 N ATOM 1728 CA ASN A 607 -8.679 2.989 13.259 1.00 0.48 C ATOM 1729 C ASN A 607 -8.824 2.224 11.948 1.00 0.43 C ATOM 1730 O ASN A 607 -9.776 2.431 11.194 1.00 0.60 O ATOM 1731 CB ASN A 607 -9.864 2.694 14.185 1.00 0.59 C ATOM 1732 CG ASN A 607 -10.024 1.216 14.497 1.00 0.79 C ATOM 1733 OD1 ASN A 607 -9.056 0.456 14.500 1.00 1.28 O ATOM 1734 ND2 ASN A 607 -11.253 0.802 14.773 1.00 1.33 N ATOM 0 HA ASN A 607 -7.761 2.662 13.748 1.00 0.48 H new ATOM 0 HB2 ASN A 607 -9.734 3.244 15.117 1.00 0.59 H new ATOM 0 HB3 ASN A 607 -10.779 3.063 13.722 1.00 0.59 H new ATOM 0 HD21 ASN A 607 -11.422 -0.178 14.998 1.00 1.33 H new ATOM 0 HD22 ASN A 607 -12.029 1.464 14.760 1.00 1.33 H new ATOM 1741 N VAL A 608 -7.876 1.339 11.689 1.00 0.30 N ATOM 1742 CA VAL A 608 -7.846 0.587 10.443 1.00 0.22 C ATOM 1743 C VAL A 608 -8.733 -0.659 10.545 1.00 0.21 C ATOM 1744 O VAL A 608 -9.171 -1.214 9.538 1.00 0.21 O ATOM 1745 CB VAL A 608 -6.387 0.219 10.065 1.00 0.19 C ATOM 1746 CG1 VAL A 608 -6.335 -0.751 8.897 1.00 0.19 C ATOM 1747 CG2 VAL A 608 -5.597 1.485 9.737 1.00 0.27 C ATOM 0 H VAL A 608 -7.112 1.122 12.329 1.00 0.30 H new ATOM 0 HA VAL A 608 -8.247 1.213 9.646 1.00 0.22 H new ATOM 0 HB VAL A 608 -5.935 -0.277 10.924 1.00 0.19 H new ATOM 0 HG11 VAL A 608 -5.296 -0.984 8.663 1.00 0.19 H new ATOM 0 HG12 VAL A 608 -6.861 -1.668 9.162 1.00 0.19 H new ATOM 0 HG13 VAL A 608 -6.810 -0.298 8.027 1.00 0.19 H new ATOM 0 HG21 VAL A 608 -4.574 1.217 9.473 1.00 0.27 H new ATOM 0 HG22 VAL A 608 -6.066 1.999 8.898 1.00 0.27 H new ATOM 0 HG23 VAL A 608 -5.587 2.143 10.606 1.00 0.27 H new ATOM 1757 N ALA A 609 -9.025 -1.075 11.770 1.00 0.28 N ATOM 1758 CA ALA A 609 -9.939 -2.192 12.002 1.00 0.33 C ATOM 1759 C ALA A 609 -11.335 -1.879 11.462 1.00 0.32 C ATOM 1760 O ALA A 609 -12.063 -2.768 10.997 1.00 0.32 O ATOM 1761 CB ALA A 609 -10.001 -2.520 13.481 1.00 0.44 C ATOM 0 H ALA A 609 -8.644 -0.658 12.619 1.00 0.28 H new ATOM 0 HA ALA A 609 -9.559 -3.062 11.466 1.00 0.33 H new ATOM 0 HB1 ALA A 609 -10.685 -3.354 13.640 1.00 0.44 H new ATOM 0 HB2 ALA A 609 -9.007 -2.793 13.835 1.00 0.44 H new ATOM 0 HB3 ALA A 609 -10.356 -1.649 14.032 1.00 0.44 H new ATOM 1767 N ALA A 610 -11.695 -0.601 11.503 1.00 0.33 N ATOM 1768 CA ALA A 610 -12.965 -0.152 10.956 1.00 0.35 C ATOM 1769 C ALA A 610 -12.995 -0.396 9.454 1.00 0.30 C ATOM 1770 O ALA A 610 -14.046 -0.656 8.871 1.00 0.31 O ATOM 1771 CB ALA A 610 -13.185 1.322 11.265 1.00 0.40 C ATOM 0 H ALA A 610 -11.124 0.140 11.910 1.00 0.33 H new ATOM 0 HA ALA A 610 -13.772 -0.720 11.420 1.00 0.35 H new ATOM 0 HB1 ALA A 610 -14.140 1.642 10.849 1.00 0.40 H new ATOM 0 HB2 ALA A 610 -13.192 1.470 12.345 1.00 0.40 H new ATOM 0 HB3 ALA A 610 -12.381 1.910 10.823 1.00 0.40 H new ATOM 1777 N ILE A 611 -11.815 -0.343 8.846 1.00 0.25 N ATOM 1778 CA ILE A 611 -11.665 -0.578 7.421 1.00 0.23 C ATOM 1779 C ILE A 611 -11.899 -2.058 7.111 1.00 0.22 C ATOM 1780 O ILE A 611 -12.389 -2.409 6.040 1.00 0.23 O ATOM 1781 CB ILE A 611 -10.262 -0.143 6.938 1.00 0.20 C ATOM 1782 CG1 ILE A 611 -10.056 1.348 7.212 1.00 0.24 C ATOM 1783 CG2 ILE A 611 -10.083 -0.437 5.455 1.00 0.22 C ATOM 1784 CD1 ILE A 611 -8.672 1.849 6.865 1.00 0.23 C ATOM 0 H ILE A 611 -10.940 -0.136 9.328 1.00 0.25 H new ATOM 0 HA ILE A 611 -12.406 0.019 6.890 1.00 0.23 H new ATOM 0 HB ILE A 611 -9.514 -0.714 7.489 1.00 0.20 H new ATOM 0 HG12 ILE A 611 -10.791 1.917 6.643 1.00 0.24 H new ATOM 0 HG13 ILE A 611 -10.249 1.544 8.267 1.00 0.24 H new ATOM 0 HG21 ILE A 611 -9.088 -0.122 5.139 1.00 0.22 H new ATOM 0 HG22 ILE A 611 -10.198 -1.507 5.280 1.00 0.22 H new ATOM 0 HG23 ILE A 611 -10.835 0.107 4.883 1.00 0.22 H new ATOM 0 HD11 ILE A 611 -8.604 2.914 7.087 1.00 0.23 H new ATOM 0 HD12 ILE A 611 -7.931 1.308 7.453 1.00 0.23 H new ATOM 0 HD13 ILE A 611 -8.482 1.687 5.804 1.00 0.23 H new ATOM 1796 N ILE A 612 -11.564 -2.924 8.071 1.00 0.22 N ATOM 1797 CA ILE A 612 -11.867 -4.350 7.952 1.00 0.24 C ATOM 1798 C ILE A 612 -13.371 -4.546 7.816 1.00 0.27 C ATOM 1799 O ILE A 612 -13.839 -5.334 6.988 1.00 0.28 O ATOM 1800 CB ILE A 612 -11.378 -5.153 9.184 1.00 0.26 C ATOM 1801 CG1 ILE A 612 -9.869 -4.995 9.380 1.00 0.26 C ATOM 1802 CG2 ILE A 612 -11.739 -6.624 9.034 1.00 0.31 C ATOM 1803 CD1 ILE A 612 -9.344 -5.655 10.639 1.00 0.31 C ATOM 0 H ILE A 612 -11.086 -2.664 8.934 1.00 0.22 H new ATOM 0 HA ILE A 612 -11.345 -4.718 7.069 1.00 0.24 H new ATOM 0 HB ILE A 612 -11.878 -4.755 10.067 1.00 0.26 H new ATOM 0 HG12 ILE A 612 -9.354 -5.417 8.517 1.00 0.26 H new ATOM 0 HG13 ILE A 612 -9.625 -3.933 9.409 1.00 0.26 H new ATOM 0 HG21 ILE A 612 -11.389 -7.175 9.907 1.00 0.31 H new ATOM 0 HG22 ILE A 612 -12.821 -6.726 8.950 1.00 0.31 H new ATOM 0 HG23 ILE A 612 -11.266 -7.025 8.138 1.00 0.31 H new ATOM 0 HD11 ILE A 612 -8.267 -5.500 10.709 1.00 0.31 H new ATOM 0 HD12 ILE A 612 -9.831 -5.216 11.510 1.00 0.31 H new ATOM 0 HD13 ILE A 612 -9.556 -6.724 10.605 1.00 0.31 H new ATOM 1815 N GLN A 613 -14.124 -3.803 8.620 1.00 0.31 N ATOM 1816 CA GLN A 613 -15.580 -3.837 8.538 1.00 0.35 C ATOM 1817 C GLN A 613 -16.062 -3.281 7.198 1.00 0.34 C ATOM 1818 O GLN A 613 -17.086 -3.712 6.669 1.00 0.37 O ATOM 1819 CB GLN A 613 -16.206 -3.056 9.695 1.00 0.41 C ATOM 1820 CG GLN A 613 -16.008 -3.709 11.055 1.00 0.49 C ATOM 1821 CD GLN A 613 -16.738 -5.037 11.186 1.00 1.37 C ATOM 1822 OE1 GLN A 613 -16.929 -5.759 10.207 1.00 1.97 O ATOM 1823 NE2 GLN A 613 -17.147 -5.369 12.399 1.00 2.31 N ATOM 0 H GLN A 613 -13.753 -3.173 9.332 1.00 0.31 H new ATOM 0 HA GLN A 613 -15.897 -4.877 8.612 1.00 0.35 H new ATOM 0 HB2 GLN A 613 -15.778 -2.054 9.718 1.00 0.41 H new ATOM 0 HB3 GLN A 613 -17.274 -2.943 9.509 1.00 0.41 H new ATOM 0 HG2 GLN A 613 -14.943 -3.867 11.225 1.00 0.49 H new ATOM 0 HG3 GLN A 613 -16.357 -3.030 11.833 1.00 0.49 H new ATOM 0 HE21 GLN A 613 -16.970 -4.744 13.186 1.00 2.31 H new ATOM 0 HE22 GLN A 613 -17.639 -6.250 12.548 1.00 2.31 H new ATOM 1832 N ASP A 614 -15.306 -2.339 6.649 1.00 0.33 N ATOM 1833 CA ASP A 614 -15.625 -1.764 5.344 1.00 0.33 C ATOM 1834 C ASP A 614 -15.448 -2.797 4.242 1.00 0.30 C ATOM 1835 O ASP A 614 -16.294 -2.925 3.360 1.00 0.34 O ATOM 1836 CB ASP A 614 -14.768 -0.531 5.042 1.00 0.36 C ATOM 1837 CG ASP A 614 -15.388 0.749 5.559 1.00 0.95 C ATOM 1838 OD1 ASP A 614 -14.992 1.207 6.650 1.00 1.95 O ATOM 1839 OD2 ASP A 614 -16.274 1.308 4.882 1.00 1.09 O ATOM 0 H ASP A 614 -14.467 -1.955 7.085 1.00 0.33 H new ATOM 0 HA ASP A 614 -16.669 -1.452 5.378 1.00 0.33 H new ATOM 0 HB2 ASP A 614 -13.782 -0.660 5.489 1.00 0.36 H new ATOM 0 HB3 ASP A 614 -14.621 -0.450 3.965 1.00 0.36 H new ATOM 1844 N ILE A 615 -14.354 -3.546 4.308 1.00 0.26 N ATOM 1845 CA ILE A 615 -14.068 -4.580 3.323 1.00 0.27 C ATOM 1846 C ILE A 615 -15.166 -5.630 3.313 1.00 0.32 C ATOM 1847 O ILE A 615 -15.692 -5.986 2.264 1.00 0.35 O ATOM 1848 CB ILE A 615 -12.731 -5.274 3.629 1.00 0.24 C ATOM 1849 CG1 ILE A 615 -11.605 -4.254 3.601 1.00 0.20 C ATOM 1850 CG2 ILE A 615 -12.466 -6.392 2.629 1.00 0.29 C ATOM 1851 CD1 ILE A 615 -10.293 -4.792 4.094 1.00 0.18 C ATOM 0 H ILE A 615 -13.647 -3.455 5.038 1.00 0.26 H new ATOM 0 HA ILE A 615 -14.013 -4.095 2.349 1.00 0.27 H new ATOM 0 HB ILE A 615 -12.782 -5.716 4.624 1.00 0.24 H new ATOM 0 HG12 ILE A 615 -11.479 -3.892 2.580 1.00 0.20 H new ATOM 0 HG13 ILE A 615 -11.888 -3.396 4.211 1.00 0.20 H new ATOM 0 HG21 ILE A 615 -11.515 -6.871 2.862 1.00 0.29 H new ATOM 0 HG22 ILE A 615 -13.267 -7.129 2.686 1.00 0.29 H new ATOM 0 HG23 ILE A 615 -12.426 -5.977 1.622 1.00 0.29 H new ATOM 0 HD11 ILE A 615 -9.537 -4.008 4.045 1.00 0.18 H new ATOM 0 HD12 ILE A 615 -10.402 -5.127 5.125 1.00 0.18 H new ATOM 0 HD13 ILE A 615 -9.986 -5.631 3.470 1.00 0.18 H new ATOM 1863 N HIS A 616 -15.517 -6.110 4.498 1.00 0.37 N ATOM 1864 CA HIS A 616 -16.558 -7.120 4.632 1.00 0.46 C ATOM 1865 C HIS A 616 -17.921 -6.568 4.230 1.00 0.44 C ATOM 1866 O HIS A 616 -18.795 -7.314 3.798 1.00 0.46 O ATOM 1867 CB HIS A 616 -16.596 -7.680 6.056 1.00 0.59 C ATOM 1868 CG HIS A 616 -15.519 -8.691 6.324 1.00 0.70 C ATOM 1869 ND1 HIS A 616 -15.776 -9.949 6.823 1.00 1.26 N ATOM 1870 CD2 HIS A 616 -14.177 -8.629 6.144 1.00 0.76 C ATOM 1871 CE1 HIS A 616 -14.643 -10.617 6.935 1.00 1.24 C ATOM 1872 NE2 HIS A 616 -13.659 -9.838 6.530 1.00 0.82 N ATOM 0 H HIS A 616 -15.097 -5.817 5.380 1.00 0.37 H new ATOM 0 HA HIS A 616 -16.316 -7.937 3.952 1.00 0.46 H new ATOM 0 HB2 HIS A 616 -16.498 -6.858 6.765 1.00 0.59 H new ATOM 0 HB3 HIS A 616 -17.569 -8.139 6.233 1.00 0.59 H new ATOM 0 HD2 HIS A 616 -13.620 -7.784 5.767 1.00 0.76 H new ATOM 0 HE1 HIS A 616 -14.539 -11.629 7.297 1.00 1.24 H new ATOM 0 HE2 HIS A 616 -12.672 -10.094 6.508 1.00 0.82 H new ATOM 1881 N SER A 617 -18.098 -5.259 4.362 1.00 0.45 N ATOM 1882 CA SER A 617 -19.326 -4.609 3.941 1.00 0.51 C ATOM 1883 C SER A 617 -19.385 -4.515 2.415 1.00 0.49 C ATOM 1884 O SER A 617 -20.450 -4.653 1.813 1.00 0.57 O ATOM 1885 CB SER A 617 -19.427 -3.213 4.563 1.00 0.58 C ATOM 1886 OG SER A 617 -20.643 -2.572 4.212 1.00 1.18 O ATOM 0 H SER A 617 -17.402 -4.628 4.759 1.00 0.45 H new ATOM 0 HA SER A 617 -20.170 -5.207 4.284 1.00 0.51 H new ATOM 0 HB2 SER A 617 -19.356 -3.291 5.648 1.00 0.58 H new ATOM 0 HB3 SER A 617 -18.585 -2.605 4.232 1.00 0.58 H new ATOM 0 HG SER A 617 -20.676 -1.684 4.626 1.00 1.18 H new