USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=30 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 -31:sc= 0.529 USER MOD Set 1.2: A 584 ASN : amide:sc= -0.0619 K(o=0.47,f=-1.4!) USER MOD Set 2.1: A 563 MET CE :methyl -175:sc= -5.9! (180deg=-6.36!) USER MOD Set 2.2: A 572 MET CE :methyl 168:sc= -5.81! (180deg=-6.38!) USER MOD Set 3.1: A 556 THR OG1 : rot -150:sc= 0.279 USER MOD Set 3.2: A 558 GLN : amide:sc= -0.652 X(o=-0.37,f=0.0016) USER MOD Set 4.1: A 548 THR OG1 : rot 180:sc= 0.00357 USER MOD Set 4.2: A 549 ASN :FLIP amide:sc= -0.109 F(o=-1.5,f=-0.11) USER MOD Set 5.1: A 523 HIS :FLIP no HE2:sc= 0.257 F(o=-0.5,f=1.1) USER MOD Set 5.2: A 525 CYS SG : rot 5:sc= 0.883 USER MOD Single : A 526 ASN : amide:sc=-0.00314 K(o=-0.0031,f=-1.1) USER MOD Single : A 532 CYS SG : rot 25:sc= -1.41! USER MOD Single : A 533 THR OG1 : rot -119:sc= 1.8 USER MOD Single : A 535 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 539 ASN :FLIP amide:sc= -1.5 F(o=-3.7,f=-1.5) USER MOD Single : A 546 LYS NZ :NH3+ 145:sc= 1.21 (180deg=1.14) USER MOD Single : A 550 TYR OH : rot 180:sc= 0 USER MOD Single : A 553 MET CE :methyl -155:sc= -1.3 (180deg=-1.98) USER MOD Single : A 554 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0639) USER MOD Single : A 555 SER OG : rot 180:sc= 0 USER MOD Single : A 557 ASN : amide:sc= -0.153 K(o=-0.15,f=-2.4!) 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 :FLIP amide:sc= -0.815 F(o=-2.2!,f=-0.81) USER MOD Single : A 574 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 TYR OH : rot -161:sc= -0.0311 USER MOD Single : A 577 GLN : amide:sc= -1.98! C(o=-2!,f=-6.8!) USER MOD Single : A 579 LYS NZ :NH3+ 174:sc=-0.00201 (180deg=-0.0489) USER MOD Single : A 587 LYS NZ :NH3+ 171:sc= -0.0129 (180deg=-0.111) USER MOD Single : A 592 MET CE :methyl 163:sc= 0 (180deg=-0.0905) USER MOD Single : A 593 SER OG : rot 180:sc= 0.0167 USER MOD Single : A 594 THR OG1 : rot 180:sc= 0.0202 USER MOD Single : A 596 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 LYS NZ :NH3+ 176:sc= 0.444 (180deg=0.44) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 607 ASN : amide:sc= 0.198 K(o=0.2,f=-4.6!) USER MOD Single : A 613 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.19) USER MOD Single : A 616 HIS :FLIP no HE2:sc= 0.117 F(o=-0.5,f=0.12) USER MOD Single : A 617 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 321 N ARG A 520 9.324 -2.788 7.465 1.00 0.46 N ATOM 322 CA ARG A 520 8.865 -3.128 6.130 1.00 0.40 C ATOM 323 C ARG A 520 8.271 -1.915 5.438 1.00 0.34 C ATOM 324 O ARG A 520 7.497 -1.163 6.026 1.00 0.36 O ATOM 325 CB ARG A 520 7.804 -4.225 6.206 1.00 0.44 C ATOM 326 CG ARG A 520 8.253 -5.464 6.956 1.00 0.56 C ATOM 327 CD ARG A 520 7.062 -6.240 7.482 1.00 0.64 C ATOM 328 NE ARG A 520 6.226 -5.407 8.344 1.00 0.93 N ATOM 329 CZ ARG A 520 6.055 -5.608 9.651 1.00 1.70 C ATOM 330 NH1 ARG A 520 6.630 -6.642 10.258 1.00 2.13 N ATOM 331 NH2 ARG A 520 5.306 -4.767 10.350 1.00 2.22 N ATOM 0 HA ARG A 520 9.723 -3.480 5.558 1.00 0.40 H new ATOM 0 HB2 ARG A 520 6.914 -3.823 6.689 1.00 0.44 H new ATOM 0 HB3 ARG A 520 7.516 -4.509 5.194 1.00 0.44 H new ATOM 0 HG2 ARG A 520 8.843 -6.100 6.296 1.00 0.56 H new ATOM 0 HG3 ARG A 520 8.900 -5.177 7.785 1.00 0.56 H new ATOM 0 HD2 ARG A 520 6.469 -6.612 6.646 1.00 0.64 H new ATOM 0 HD3 ARG A 520 7.409 -7.110 8.039 1.00 0.64 H new ATOM 0 HE ARG A 520 5.740 -4.618 7.917 1.00 0.93 H new ATOM 0 HH11 ARG A 520 7.208 -7.290 9.723 1.00 2.13 H new ATOM 0 HH12 ARG A 520 6.493 -6.787 11.258 1.00 2.13 H new ATOM 0 HH21 ARG A 520 4.865 -3.972 9.888 1.00 2.22 H new ATOM 0 HH22 ARG A 520 5.171 -4.915 11.350 1.00 2.22 H new ATOM 345 N VAL A 521 8.666 -1.720 4.196 1.00 0.29 N ATOM 346 CA VAL A 521 8.008 -0.762 3.333 1.00 0.24 C ATOM 347 C VAL A 521 7.418 -1.453 2.117 1.00 0.21 C ATOM 348 O VAL A 521 8.134 -2.114 1.357 1.00 0.23 O ATOM 349 CB VAL A 521 8.938 0.377 2.893 1.00 0.26 C ATOM 350 CG1 VAL A 521 8.201 1.340 1.981 1.00 0.27 C ATOM 351 CG2 VAL A 521 9.488 1.098 4.107 1.00 0.32 C ATOM 0 H VAL A 521 9.444 -2.216 3.761 1.00 0.29 H new ATOM 0 HA VAL A 521 7.206 -0.314 3.920 1.00 0.24 H new ATOM 0 HB VAL A 521 9.774 -0.045 2.335 1.00 0.26 H new ATOM 0 HG11 VAL A 521 8.874 2.142 1.678 1.00 0.27 H new ATOM 0 HG12 VAL A 521 7.850 0.807 1.097 1.00 0.27 H new ATOM 0 HG13 VAL A 521 7.348 1.764 2.512 1.00 0.27 H new ATOM 0 HG21 VAL A 521 10.147 1.904 3.784 1.00 0.32 H new ATOM 0 HG22 VAL A 521 8.664 1.513 4.688 1.00 0.32 H new ATOM 0 HG23 VAL A 521 10.049 0.396 4.724 1.00 0.32 H new ATOM 361 N VAL A 522 6.124 -1.298 1.929 1.00 0.20 N ATOM 362 CA VAL A 522 5.463 -1.823 0.755 1.00 0.18 C ATOM 363 C VAL A 522 4.831 -0.653 0.018 1.00 0.18 C ATOM 364 O VAL A 522 4.042 0.092 0.597 1.00 0.19 O ATOM 365 CB VAL A 522 4.392 -2.865 1.134 1.00 0.20 C ATOM 366 CG1 VAL A 522 3.826 -3.543 -0.102 1.00 0.21 C ATOM 367 CG2 VAL A 522 4.963 -3.891 2.097 1.00 0.22 C ATOM 0 H VAL A 522 5.507 -0.810 2.579 1.00 0.20 H new ATOM 0 HA VAL A 522 6.188 -2.330 0.119 1.00 0.18 H new ATOM 0 HB VAL A 522 3.575 -2.343 1.632 1.00 0.20 H new ATOM 0 HG11 VAL A 522 3.073 -4.273 0.196 1.00 0.21 H new ATOM 0 HG12 VAL A 522 3.370 -2.795 -0.751 1.00 0.21 H new ATOM 0 HG13 VAL A 522 4.628 -4.048 -0.639 1.00 0.21 H new ATOM 0 HG21 VAL A 522 4.192 -4.618 2.353 1.00 0.22 H new ATOM 0 HG22 VAL A 522 5.803 -4.403 1.627 1.00 0.22 H new ATOM 0 HG23 VAL A 522 5.304 -3.390 3.003 1.00 0.22 H new ATOM 377 N HIS A 523 5.193 -0.456 -1.236 1.00 0.18 N ATOM 378 CA HIS A 523 4.766 0.720 -1.968 1.00 0.18 C ATOM 379 C HIS A 523 3.677 0.358 -2.961 1.00 0.17 C ATOM 380 O HIS A 523 3.809 -0.594 -3.729 1.00 0.18 O ATOM 381 CB HIS A 523 5.966 1.328 -2.702 1.00 0.20 C ATOM 382 CG HIS A 523 5.678 2.610 -3.431 1.00 0.25 C ATOM 383 ND1 HIS A 523 5.733 3.894 -3.010 1.00 0.39 N flip ATOM 384 CD2 HIS A 523 5.330 2.661 -4.764 1.00 0.30 C flip ATOM 385 CE1 HIS A 523 5.430 4.694 -4.084 1.00 0.44 C flip ATOM 386 NE2 HIS A 523 5.189 3.923 -5.128 1.00 0.37 N flip ATOM 0 H HIS A 523 5.782 -1.096 -1.769 1.00 0.18 H new ATOM 0 HA HIS A 523 4.364 1.450 -1.266 1.00 0.18 H new ATOM 0 HB2 HIS A 523 6.762 1.509 -1.980 1.00 0.20 H new ATOM 0 HB3 HIS A 523 6.344 0.597 -3.417 1.00 0.20 H new ATOM 0 HD1 HIS A 523 5.958 4.210 -2.067 1.00 0.39 H new ATOM 0 HD2 HIS A 523 5.194 1.805 -5.408 1.00 0.30 H new ATOM 0 HE1 HIS A 523 5.395 5.773 -4.076 1.00 0.44 H new ATOM 395 N ILE A 524 2.616 1.135 -2.947 1.00 0.16 N ATOM 396 CA ILE A 524 1.511 0.936 -3.854 1.00 0.16 C ATOM 397 C ILE A 524 1.479 2.087 -4.842 1.00 0.17 C ATOM 398 O ILE A 524 1.694 3.236 -4.468 1.00 0.19 O ATOM 399 CB ILE A 524 0.175 0.847 -3.087 1.00 0.17 C ATOM 400 CG1 ILE A 524 0.273 -0.242 -2.012 1.00 0.16 C ATOM 401 CG2 ILE A 524 -0.983 0.572 -4.042 1.00 0.18 C ATOM 402 CD1 ILE A 524 -1.016 -0.493 -1.265 1.00 0.18 C ATOM 0 H ILE A 524 2.497 1.920 -2.307 1.00 0.16 H new ATOM 0 HA ILE A 524 1.647 -0.005 -4.386 1.00 0.16 H new ATOM 0 HB ILE A 524 -0.021 1.803 -2.603 1.00 0.17 H new ATOM 0 HG12 ILE A 524 0.595 -1.172 -2.481 1.00 0.16 H new ATOM 0 HG13 ILE A 524 1.046 0.038 -1.296 1.00 0.16 H new ATOM 0 HG21 ILE A 524 -1.914 0.514 -3.478 1.00 0.18 H new ATOM 0 HG22 ILE A 524 -1.051 1.378 -4.773 1.00 0.18 H new ATOM 0 HG23 ILE A 524 -0.812 -0.372 -4.559 1.00 0.18 H new ATOM 0 HD11 ILE A 524 -0.860 -1.277 -0.524 1.00 0.18 H new ATOM 0 HD12 ILE A 524 -1.331 0.423 -0.764 1.00 0.18 H new ATOM 0 HD13 ILE A 524 -1.788 -0.806 -1.967 1.00 0.18 H new ATOM 414 N CYS A 525 1.267 1.784 -6.100 1.00 0.17 N ATOM 415 CA CYS A 525 1.296 2.808 -7.123 1.00 0.18 C ATOM 416 C CYS A 525 0.243 2.561 -8.188 1.00 0.15 C ATOM 417 O CYS A 525 -0.329 1.470 -8.263 1.00 0.16 O ATOM 418 CB CYS A 525 2.692 2.883 -7.743 1.00 0.29 C ATOM 419 SG CYS A 525 3.562 1.297 -7.806 1.00 1.17 S ATOM 0 H CYS A 525 1.073 0.843 -6.441 1.00 0.17 H new ATOM 0 HA CYS A 525 1.064 3.765 -6.656 1.00 0.18 H new ATOM 0 HB2 CYS A 525 2.607 3.278 -8.755 1.00 0.29 H new ATOM 0 HB3 CYS A 525 3.293 3.592 -7.173 1.00 0.29 H new ATOM 0 HG CYS A 525 2.774 0.353 -7.385 1.00 1.17 H new ATOM 425 N ASN A 526 -0.013 3.609 -8.972 1.00 0.15 N ATOM 426 CA ASN A 526 -0.979 3.588 -10.082 1.00 0.16 C ATOM 427 C ASN A 526 -2.376 3.866 -9.565 1.00 0.15 C ATOM 428 O ASN A 526 -3.371 3.524 -10.202 1.00 0.18 O ATOM 429 CB ASN A 526 -0.958 2.271 -10.877 1.00 0.19 C ATOM 430 CG ASN A 526 0.335 2.057 -11.637 1.00 0.21 C ATOM 431 OD1 ASN A 526 0.993 3.010 -12.052 1.00 0.22 O ATOM 432 ND2 ASN A 526 0.703 0.801 -11.834 1.00 0.26 N ATOM 0 H ASN A 526 0.449 4.511 -8.856 1.00 0.15 H new ATOM 0 HA ASN A 526 -0.678 4.375 -10.774 1.00 0.16 H new ATOM 0 HB2 ASN A 526 -1.112 1.437 -10.192 1.00 0.19 H new ATOM 0 HB3 ASN A 526 -1.791 2.264 -11.580 1.00 0.19 H new ATOM 0 HD21 ASN A 526 1.561 0.595 -12.346 1.00 0.26 H new ATOM 0 HD22 ASN A 526 0.129 0.039 -11.473 1.00 0.26 H new ATOM 439 N LEU A 527 -2.436 4.530 -8.420 1.00 0.15 N ATOM 440 CA LEU A 527 -3.702 4.920 -7.829 1.00 0.17 C ATOM 441 C LEU A 527 -4.170 6.194 -8.515 1.00 0.22 C ATOM 442 O LEU A 527 -3.438 7.178 -8.533 1.00 0.25 O ATOM 443 CB LEU A 527 -3.524 5.172 -6.325 1.00 0.15 C ATOM 444 CG LEU A 527 -3.224 3.941 -5.467 1.00 0.16 C ATOM 445 CD1 LEU A 527 -2.812 4.360 -4.065 1.00 0.18 C ATOM 446 CD2 LEU A 527 -4.442 3.040 -5.397 1.00 0.21 C ATOM 0 H LEU A 527 -1.616 4.810 -7.881 1.00 0.15 H new ATOM 0 HA LEU A 527 -4.438 4.127 -7.960 1.00 0.17 H new ATOM 0 HB2 LEU A 527 -2.714 5.889 -6.191 1.00 0.15 H new ATOM 0 HB3 LEU A 527 -4.432 5.641 -5.946 1.00 0.15 H new ATOM 0 HG LEU A 527 -2.402 3.392 -5.927 1.00 0.16 H new ATOM 0 HD11 LEU A 527 -2.602 3.473 -3.467 1.00 0.18 H new ATOM 0 HD12 LEU A 527 -1.918 4.981 -4.119 1.00 0.18 H new ATOM 0 HD13 LEU A 527 -3.620 4.926 -3.602 1.00 0.18 H new ATOM 0 HD21 LEU A 527 -4.215 2.168 -4.784 1.00 0.21 H new ATOM 0 HD22 LEU A 527 -5.275 3.587 -4.955 1.00 0.21 H new ATOM 0 HD23 LEU A 527 -4.713 2.716 -6.402 1.00 0.21 H new ATOM 458 N PRO A 528 -5.372 6.210 -9.104 1.00 0.26 N ATOM 459 CA PRO A 528 -5.847 7.393 -9.814 1.00 0.33 C ATOM 460 C PRO A 528 -6.172 8.531 -8.858 1.00 0.34 C ATOM 461 O PRO A 528 -6.868 8.335 -7.857 1.00 0.32 O ATOM 462 CB PRO A 528 -7.126 6.913 -10.517 1.00 0.38 C ATOM 463 CG PRO A 528 -7.128 5.426 -10.388 1.00 0.37 C ATOM 464 CD PRO A 528 -6.337 5.108 -9.153 1.00 0.29 C ATOM 0 HA PRO A 528 -5.095 7.784 -10.500 1.00 0.33 H new ATOM 0 HB2 PRO A 528 -8.013 7.347 -10.054 1.00 0.38 H new ATOM 0 HB3 PRO A 528 -7.133 7.215 -11.564 1.00 0.38 H new ATOM 0 HG2 PRO A 528 -8.146 5.044 -10.307 1.00 0.37 H new ATOM 0 HG3 PRO A 528 -6.682 4.959 -11.266 1.00 0.37 H new ATOM 0 HD2 PRO A 528 -6.967 5.080 -8.264 1.00 0.29 H new ATOM 0 HD3 PRO A 528 -5.843 4.139 -9.225 1.00 0.29 H new ATOM 472 N GLU A 529 -5.690 9.719 -9.184 1.00 0.41 N ATOM 473 CA GLU A 529 -5.972 10.906 -8.397 1.00 0.46 C ATOM 474 C GLU A 529 -7.455 11.216 -8.477 1.00 0.47 C ATOM 475 O GLU A 529 -8.028 11.247 -9.567 1.00 0.53 O ATOM 476 CB GLU A 529 -5.143 12.084 -8.902 1.00 0.57 C ATOM 477 CG GLU A 529 -5.398 13.385 -8.159 1.00 0.66 C ATOM 478 CD GLU A 529 -4.663 14.553 -8.777 1.00 1.12 C ATOM 479 OE1 GLU A 529 -5.212 15.191 -9.700 1.00 1.60 O ATOM 480 OE2 GLU A 529 -3.533 14.851 -8.334 1.00 1.41 O ATOM 0 H GLU A 529 -5.096 9.886 -9.996 1.00 0.41 H new ATOM 0 HA GLU A 529 -5.702 10.728 -7.356 1.00 0.46 H new ATOM 0 HB2 GLU A 529 -4.086 11.832 -8.820 1.00 0.57 H new ATOM 0 HB3 GLU A 529 -5.353 12.235 -9.961 1.00 0.57 H new ATOM 0 HG2 GLU A 529 -6.468 13.594 -8.153 1.00 0.66 H new ATOM 0 HG3 GLU A 529 -5.090 13.274 -7.120 1.00 0.66 H new ATOM 487 N GLY A 530 -8.083 11.426 -7.333 1.00 0.46 N ATOM 488 CA GLY A 530 -9.518 11.588 -7.311 1.00 0.48 C ATOM 489 C GLY A 530 -10.209 10.284 -6.984 1.00 0.43 C ATOM 490 O GLY A 530 -11.437 10.200 -6.977 1.00 0.46 O ATOM 0 H GLY A 530 -7.627 11.487 -6.423 1.00 0.46 H new ATOM 0 HA2 GLY A 530 -9.790 12.342 -6.573 1.00 0.48 H new ATOM 0 HA3 GLY A 530 -9.861 11.952 -8.280 1.00 0.48 H new ATOM 494 N SER A 531 -9.412 9.262 -6.706 1.00 0.37 N ATOM 495 CA SER A 531 -9.926 7.942 -6.391 1.00 0.35 C ATOM 496 C SER A 531 -8.982 7.244 -5.416 1.00 0.28 C ATOM 497 O SER A 531 -9.105 6.048 -5.150 1.00 0.30 O ATOM 498 CB SER A 531 -10.074 7.107 -7.663 1.00 0.40 C ATOM 499 OG SER A 531 -10.726 5.878 -7.394 1.00 1.08 O ATOM 0 H SER A 531 -8.394 9.327 -6.693 1.00 0.37 H new ATOM 0 HA SER A 531 -10.908 8.047 -5.931 1.00 0.35 H new ATOM 0 HB2 SER A 531 -10.641 7.668 -8.406 1.00 0.40 H new ATOM 0 HB3 SER A 531 -9.091 6.914 -8.092 1.00 0.40 H new ATOM 0 HG SER A 531 -10.511 5.586 -6.484 1.00 1.08 H new ATOM 505 N CYS A 532 -8.044 8.008 -4.877 1.00 0.24 N ATOM 506 CA CYS A 532 -7.074 7.472 -3.940 1.00 0.20 C ATOM 507 C CYS A 532 -7.597 7.648 -2.526 1.00 0.18 C ATOM 508 O CYS A 532 -7.325 8.661 -1.879 1.00 0.21 O ATOM 509 CB CYS A 532 -5.725 8.186 -4.082 1.00 0.21 C ATOM 510 SG CYS A 532 -4.970 8.061 -5.711 1.00 0.25 S ATOM 0 H CYS A 532 -7.936 9.003 -5.074 1.00 0.24 H new ATOM 0 HA CYS A 532 -6.926 6.414 -4.155 1.00 0.20 H new ATOM 0 HB2 CYS A 532 -5.861 9.240 -3.840 1.00 0.21 H new ATOM 0 HB3 CYS A 532 -5.034 7.777 -3.345 1.00 0.21 H new ATOM 0 HG CYS A 532 -5.893 7.852 -6.602 1.00 0.25 H new ATOM 516 N THR A 533 -8.360 6.683 -2.046 1.00 0.17 N ATOM 517 CA THR A 533 -8.900 6.786 -0.709 1.00 0.18 C ATOM 518 C THR A 533 -8.120 5.873 0.210 1.00 0.17 C ATOM 519 O THR A 533 -7.563 4.866 -0.232 1.00 0.18 O ATOM 520 CB THR A 533 -10.391 6.394 -0.653 1.00 0.26 C ATOM 521 OG1 THR A 533 -10.530 4.982 -0.841 1.00 0.35 O ATOM 522 CG2 THR A 533 -11.192 7.130 -1.720 1.00 0.28 C ATOM 0 H THR A 533 -8.614 5.835 -2.553 1.00 0.17 H new ATOM 0 HA THR A 533 -8.814 7.826 -0.395 1.00 0.18 H new ATOM 0 HB THR A 533 -10.779 6.675 0.326 1.00 0.26 H new ATOM 0 HG1 THR A 533 -11.064 4.810 -1.645 1.00 0.35 H new ATOM 0 HG21 THR A 533 -12.239 6.834 -1.657 1.00 0.28 H new ATOM 0 HG22 THR A 533 -11.108 8.205 -1.561 1.00 0.28 H new ATOM 0 HG23 THR A 533 -10.802 6.878 -2.706 1.00 0.28 H new ATOM 530 N GLU A 534 -8.087 6.217 1.483 1.00 0.19 N ATOM 531 CA GLU A 534 -7.425 5.394 2.475 1.00 0.20 C ATOM 532 C GLU A 534 -8.141 4.064 2.579 1.00 0.19 C ATOM 533 O GLU A 534 -7.526 3.025 2.813 1.00 0.20 O ATOM 534 CB GLU A 534 -7.350 6.130 3.810 1.00 0.23 C ATOM 535 CG GLU A 534 -6.694 7.504 3.678 1.00 0.27 C ATOM 536 CD GLU A 534 -6.649 8.273 4.983 1.00 0.93 C ATOM 537 OE1 GLU A 534 -7.693 8.346 5.667 1.00 1.17 O ATOM 538 OE2 GLU A 534 -5.588 8.842 5.309 1.00 1.64 O ATOM 0 H GLU A 534 -8.513 7.065 1.855 1.00 0.19 H new ATOM 0 HA GLU A 534 -6.397 5.194 2.173 1.00 0.20 H new ATOM 0 HB2 GLU A 534 -8.355 6.247 4.215 1.00 0.23 H new ATOM 0 HB3 GLU A 534 -6.787 5.528 4.523 1.00 0.23 H new ATOM 0 HG2 GLU A 534 -5.678 7.380 3.302 1.00 0.27 H new ATOM 0 HG3 GLU A 534 -7.239 8.090 2.937 1.00 0.27 H new ATOM 545 N ASN A 535 -9.451 4.111 2.378 1.00 0.20 N ATOM 546 CA ASN A 535 -10.267 2.913 2.418 1.00 0.22 C ATOM 547 C ASN A 535 -9.852 1.922 1.339 1.00 0.21 C ATOM 548 O ASN A 535 -9.577 0.783 1.652 1.00 0.21 O ATOM 549 CB ASN A 535 -11.751 3.248 2.249 1.00 0.27 C ATOM 550 CG ASN A 535 -12.379 3.838 3.495 1.00 0.96 C ATOM 551 OD1 ASN A 535 -11.725 4.528 4.280 1.00 1.82 O ATOM 552 ND2 ASN A 535 -13.656 3.563 3.687 1.00 1.38 N ATOM 0 H ASN A 535 -9.968 4.969 2.186 1.00 0.20 H new ATOM 0 HA ASN A 535 -10.112 2.458 3.396 1.00 0.22 H new ATOM 0 HB2 ASN A 535 -11.866 3.952 1.425 1.00 0.27 H new ATOM 0 HB3 ASN A 535 -12.291 2.343 1.972 1.00 0.27 H new ATOM 0 HD21 ASN A 535 -14.138 3.926 4.510 1.00 1.38 H new ATOM 0 HD22 ASN A 535 -14.161 2.988 3.013 1.00 1.38 H new ATOM 559 N ASP A 536 -9.712 2.370 0.088 1.00 0.21 N ATOM 560 CA ASP A 536 -9.484 1.437 -1.031 1.00 0.22 C ATOM 561 C ASP A 536 -8.102 0.800 -0.938 1.00 0.17 C ATOM 562 O ASP A 536 -7.941 -0.413 -1.087 1.00 0.16 O ATOM 563 CB ASP A 536 -9.618 2.142 -2.389 1.00 0.27 C ATOM 564 CG ASP A 536 -11.036 2.576 -2.706 1.00 0.37 C ATOM 565 OD1 ASP A 536 -11.948 1.724 -2.665 1.00 0.44 O ATOM 566 OD2 ASP A 536 -11.248 3.769 -3.005 1.00 0.61 O ATOM 0 H ASP A 536 -9.751 3.354 -0.178 1.00 0.21 H new ATOM 0 HA ASP A 536 -10.248 0.663 -0.957 1.00 0.22 H new ATOM 0 HB2 ASP A 536 -8.967 3.016 -2.402 1.00 0.27 H new ATOM 0 HB3 ASP A 536 -9.267 1.472 -3.174 1.00 0.27 H new ATOM 571 N VAL A 537 -7.119 1.644 -0.680 1.00 0.15 N ATOM 572 CA VAL A 537 -5.727 1.214 -0.592 1.00 0.13 C ATOM 573 C VAL A 537 -5.570 0.172 0.519 1.00 0.12 C ATOM 574 O VAL A 537 -4.989 -0.906 0.326 1.00 0.13 O ATOM 575 CB VAL A 537 -4.792 2.422 -0.343 1.00 0.12 C ATOM 576 CG1 VAL A 537 -3.327 2.014 -0.386 1.00 0.12 C ATOM 577 CG2 VAL A 537 -5.063 3.504 -1.372 1.00 0.13 C ATOM 0 H VAL A 537 -7.257 2.643 -0.526 1.00 0.15 H new ATOM 0 HA VAL A 537 -5.443 0.760 -1.542 1.00 0.13 H new ATOM 0 HB VAL A 537 -4.999 2.808 0.655 1.00 0.12 H new ATOM 0 HG11 VAL A 537 -2.701 2.888 -0.207 1.00 0.12 H new ATOM 0 HG12 VAL A 537 -3.135 1.266 0.383 1.00 0.12 H new ATOM 0 HG13 VAL A 537 -3.095 1.595 -1.365 1.00 0.12 H new ATOM 0 HG21 VAL A 537 -4.402 4.352 -1.191 1.00 0.13 H new ATOM 0 HG22 VAL A 537 -4.882 3.109 -2.372 1.00 0.13 H new ATOM 0 HG23 VAL A 537 -6.100 3.830 -1.293 1.00 0.13 H new ATOM 587 N ILE A 538 -6.127 0.485 1.675 1.00 0.12 N ATOM 588 CA ILE A 538 -6.118 -0.432 2.795 1.00 0.12 C ATOM 589 C ILE A 538 -7.013 -1.653 2.541 1.00 0.12 C ATOM 590 O ILE A 538 -6.710 -2.752 3.007 1.00 0.12 O ATOM 591 CB ILE A 538 -6.503 0.258 4.111 1.00 0.14 C ATOM 592 CG1 ILE A 538 -5.454 1.297 4.492 1.00 0.16 C ATOM 593 CG2 ILE A 538 -6.644 -0.772 5.215 1.00 0.14 C ATOM 594 CD1 ILE A 538 -5.749 1.982 5.803 1.00 0.23 C ATOM 0 H ILE A 538 -6.593 1.373 1.861 1.00 0.12 H new ATOM 0 HA ILE A 538 -5.091 -0.784 2.895 1.00 0.12 H new ATOM 0 HB ILE A 538 -7.459 0.764 3.975 1.00 0.14 H new ATOM 0 HG12 ILE A 538 -4.478 0.814 4.552 1.00 0.16 H new ATOM 0 HG13 ILE A 538 -5.391 2.047 3.703 1.00 0.16 H new ATOM 0 HG21 ILE A 538 -6.917 -0.273 6.145 1.00 0.14 H new ATOM 0 HG22 ILE A 538 -7.419 -1.489 4.946 1.00 0.14 H new ATOM 0 HG23 ILE A 538 -5.697 -1.295 5.348 1.00 0.14 H new ATOM 0 HD11 ILE A 538 -4.966 2.709 6.018 1.00 0.23 H new ATOM 0 HD12 ILE A 538 -6.710 2.492 5.739 1.00 0.23 H new ATOM 0 HD13 ILE A 538 -5.784 1.240 6.601 1.00 0.23 H new ATOM 606 N ASN A 539 -8.122 -1.467 1.818 1.00 0.12 N ATOM 607 CA ASN A 539 -9.000 -2.590 1.471 1.00 0.14 C ATOM 608 C ASN A 539 -8.220 -3.638 0.705 1.00 0.15 C ATOM 609 O ASN A 539 -8.577 -4.812 0.711 1.00 0.17 O ATOM 610 CB ASN A 539 -10.204 -2.179 0.602 1.00 0.17 C ATOM 611 CG ASN A 539 -11.268 -1.354 1.311 1.00 0.20 C ATOM 612 OD1 ASN A 539 -11.391 -1.501 2.619 1.00 0.25 O flip ATOM 613 ND2 ASN A 539 -11.980 -0.580 0.673 1.00 0.21 N flip ATOM 0 H ASN A 539 -8.431 -0.561 1.465 1.00 0.12 H new ATOM 0 HA ASN A 539 -9.377 -2.977 2.418 1.00 0.14 H new ATOM 0 HB2 ASN A 539 -9.837 -1.610 -0.252 1.00 0.17 H new ATOM 0 HB3 ASN A 539 -10.671 -3.081 0.207 1.00 0.17 H new ATOM 0 HD21 ASN A 539 -11.859 -0.490 -0.336 1.00 0.21 H new ATOM 0 HD22 ASN A 539 -12.691 -0.028 1.153 1.00 0.21 H new ATOM 620 N LEU A 540 -7.182 -3.211 0.009 1.00 0.15 N ATOM 621 CA LEU A 540 -6.304 -4.143 -0.659 1.00 0.17 C ATOM 622 C LEU A 540 -5.390 -4.822 0.355 1.00 0.16 C ATOM 623 O LEU A 540 -5.145 -6.025 0.271 1.00 0.19 O ATOM 624 CB LEU A 540 -5.458 -3.408 -1.695 1.00 0.19 C ATOM 625 CG LEU A 540 -6.244 -2.719 -2.808 1.00 0.22 C ATOM 626 CD1 LEU A 540 -5.296 -2.010 -3.754 1.00 0.27 C ATOM 627 CD2 LEU A 540 -7.109 -3.721 -3.558 1.00 0.24 C ATOM 0 H LEU A 540 -6.930 -2.229 -0.106 1.00 0.15 H new ATOM 0 HA LEU A 540 -6.910 -4.900 -1.157 1.00 0.17 H new ATOM 0 HB2 LEU A 540 -4.854 -2.660 -1.182 1.00 0.19 H new ATOM 0 HB3 LEU A 540 -4.767 -4.120 -2.147 1.00 0.19 H new ATOM 0 HG LEU A 540 -6.905 -1.977 -2.359 1.00 0.22 H new ATOM 0 HD11 LEU A 540 -5.867 -1.522 -4.544 1.00 0.27 H new ATOM 0 HD12 LEU A 540 -4.725 -1.262 -3.204 1.00 0.27 H new ATOM 0 HD13 LEU A 540 -4.613 -2.735 -4.196 1.00 0.27 H new ATOM 0 HD21 LEU A 540 -7.660 -3.208 -4.346 1.00 0.24 H new ATOM 0 HD22 LEU A 540 -6.475 -4.490 -4.000 1.00 0.24 H new ATOM 0 HD23 LEU A 540 -7.812 -4.184 -2.866 1.00 0.24 H new ATOM 639 N GLY A 541 -4.894 -4.035 1.310 1.00 0.14 N ATOM 640 CA GLY A 541 -3.992 -4.566 2.324 1.00 0.16 C ATOM 641 C GLY A 541 -4.618 -5.540 3.316 1.00 0.15 C ATOM 642 O GLY A 541 -4.139 -6.660 3.475 1.00 0.19 O ATOM 0 H GLY A 541 -5.100 -3.040 1.400 1.00 0.14 H new ATOM 0 HA2 GLY A 541 -3.165 -5.068 1.822 1.00 0.16 H new ATOM 0 HA3 GLY A 541 -3.568 -3.731 2.881 1.00 0.16 H new ATOM 646 N LEU A 542 -5.711 -5.142 3.943 1.00 0.13 N ATOM 647 CA LEU A 542 -6.249 -5.877 5.095 1.00 0.14 C ATOM 648 C LEU A 542 -6.539 -7.364 4.834 1.00 0.16 C ATOM 649 O LEU A 542 -6.161 -8.203 5.650 1.00 0.20 O ATOM 650 CB LEU A 542 -7.490 -5.185 5.643 1.00 0.13 C ATOM 651 CG LEU A 542 -7.207 -3.968 6.517 1.00 0.14 C ATOM 652 CD1 LEU A 542 -8.491 -3.215 6.802 1.00 0.16 C ATOM 653 CD2 LEU A 542 -6.544 -4.398 7.817 1.00 0.16 C ATOM 0 H LEU A 542 -6.249 -4.316 3.681 1.00 0.13 H new ATOM 0 HA LEU A 542 -5.452 -5.862 5.838 1.00 0.14 H new ATOM 0 HB2 LEU A 542 -8.117 -4.877 4.806 1.00 0.13 H new ATOM 0 HB3 LEU A 542 -8.065 -5.906 6.223 1.00 0.13 H new ATOM 0 HG LEU A 542 -6.528 -3.304 5.983 1.00 0.14 H new ATOM 0 HD11 LEU A 542 -8.274 -2.349 7.427 1.00 0.16 H new ATOM 0 HD12 LEU A 542 -8.934 -2.883 5.863 1.00 0.16 H new ATOM 0 HD13 LEU A 542 -9.190 -3.871 7.321 1.00 0.16 H new ATOM 0 HD21 LEU A 542 -6.347 -3.520 8.433 1.00 0.16 H new ATOM 0 HD22 LEU A 542 -7.205 -5.078 8.355 1.00 0.16 H new ATOM 0 HD23 LEU A 542 -5.605 -4.905 7.596 1.00 0.16 H new ATOM 665 N PRO A 543 -7.213 -7.733 3.730 1.00 0.17 N ATOM 666 CA PRO A 543 -7.574 -9.133 3.469 1.00 0.19 C ATOM 667 C PRO A 543 -6.368 -10.081 3.409 1.00 0.20 C ATOM 668 O PRO A 543 -6.515 -11.285 3.631 1.00 0.23 O ATOM 669 CB PRO A 543 -8.292 -9.067 2.116 1.00 0.22 C ATOM 670 CG PRO A 543 -8.804 -7.673 2.052 1.00 0.21 C ATOM 671 CD PRO A 543 -7.717 -6.848 2.670 1.00 0.17 C ATOM 0 HA PRO A 543 -8.184 -9.543 4.274 1.00 0.19 H new ATOM 0 HB2 PRO A 543 -7.612 -9.281 1.292 1.00 0.22 H new ATOM 0 HB3 PRO A 543 -9.102 -9.794 2.058 1.00 0.22 H new ATOM 0 HG2 PRO A 543 -8.998 -7.368 1.024 1.00 0.21 H new ATOM 0 HG3 PRO A 543 -9.741 -7.569 2.598 1.00 0.21 H new ATOM 0 HD2 PRO A 543 -6.940 -6.594 1.949 1.00 0.17 H new ATOM 0 HD3 PRO A 543 -8.098 -5.909 3.072 1.00 0.17 H new ATOM 679 N PHE A 544 -5.178 -9.560 3.120 1.00 0.20 N ATOM 680 CA PHE A 544 -3.980 -10.398 3.079 1.00 0.22 C ATOM 681 C PHE A 544 -3.139 -10.229 4.345 1.00 0.22 C ATOM 682 O PHE A 544 -2.178 -10.971 4.566 1.00 0.28 O ATOM 683 CB PHE A 544 -3.129 -10.062 1.851 1.00 0.23 C ATOM 684 CG PHE A 544 -3.822 -10.304 0.544 1.00 0.25 C ATOM 685 CD1 PHE A 544 -3.890 -11.578 0.008 1.00 0.29 C ATOM 686 CD2 PHE A 544 -4.402 -9.256 -0.150 1.00 0.28 C ATOM 687 CE1 PHE A 544 -4.522 -11.803 -1.197 1.00 0.33 C ATOM 688 CE2 PHE A 544 -5.037 -9.476 -1.355 1.00 0.32 C ATOM 689 CZ PHE A 544 -5.115 -10.753 -1.870 1.00 0.33 C ATOM 0 H PHE A 544 -5.017 -8.574 2.913 1.00 0.20 H new ATOM 0 HA PHE A 544 -4.309 -11.435 3.017 1.00 0.22 H new ATOM 0 HB2 PHE A 544 -2.831 -9.015 1.904 1.00 0.23 H new ATOM 0 HB3 PHE A 544 -2.215 -10.656 1.881 1.00 0.23 H new ATOM 0 HD1 PHE A 544 -3.443 -12.405 0.539 1.00 0.29 H new ATOM 0 HD2 PHE A 544 -4.357 -8.256 0.256 1.00 0.28 H new ATOM 0 HE1 PHE A 544 -4.553 -12.799 -1.614 1.00 0.33 H new ATOM 0 HE2 PHE A 544 -5.473 -8.648 -1.895 1.00 0.32 H new ATOM 0 HZ PHE A 544 -5.639 -10.931 -2.798 1.00 0.33 H new ATOM 699 N GLY A 545 -3.504 -9.259 5.174 1.00 0.19 N ATOM 700 CA GLY A 545 -2.759 -8.999 6.389 1.00 0.21 C ATOM 701 C GLY A 545 -3.185 -7.708 7.055 1.00 0.21 C ATOM 702 O GLY A 545 -3.657 -6.789 6.391 1.00 0.44 O ATOM 0 H GLY A 545 -4.306 -8.646 5.025 1.00 0.19 H new ATOM 0 HA2 GLY A 545 -2.899 -9.828 7.083 1.00 0.21 H new ATOM 0 HA3 GLY A 545 -1.695 -8.953 6.158 1.00 0.21 H new ATOM 706 N LYS A 546 -3.017 -7.632 8.367 1.00 0.27 N ATOM 707 CA LYS A 546 -3.422 -6.449 9.115 1.00 0.25 C ATOM 708 C LYS A 546 -2.587 -5.234 8.722 1.00 0.20 C ATOM 709 O LYS A 546 -1.358 -5.278 8.721 1.00 0.24 O ATOM 710 CB LYS A 546 -3.310 -6.701 10.623 1.00 0.35 C ATOM 711 CG LYS A 546 -3.611 -5.481 11.489 1.00 0.41 C ATOM 712 CD LYS A 546 -5.016 -4.945 11.254 1.00 0.92 C ATOM 713 CE LYS A 546 -5.389 -3.874 12.273 1.00 1.60 C ATOM 714 NZ LYS A 546 -4.397 -2.764 12.322 1.00 2.07 N ATOM 0 H LYS A 546 -2.605 -8.372 8.935 1.00 0.27 H new ATOM 0 HA LYS A 546 -4.463 -6.240 8.868 1.00 0.25 H new ATOM 0 HB2 LYS A 546 -3.994 -7.504 10.897 1.00 0.35 H new ATOM 0 HB3 LYS A 546 -2.302 -7.051 10.847 1.00 0.35 H new ATOM 0 HG2 LYS A 546 -3.495 -5.746 12.540 1.00 0.41 H new ATOM 0 HG3 LYS A 546 -2.884 -4.697 11.276 1.00 0.41 H new ATOM 0 HD2 LYS A 546 -5.084 -4.530 10.248 1.00 0.92 H new ATOM 0 HD3 LYS A 546 -5.732 -5.765 11.309 1.00 0.92 H new ATOM 0 HE2 LYS A 546 -6.371 -3.469 12.027 1.00 1.60 H new ATOM 0 HE3 LYS A 546 -5.470 -4.329 13.260 1.00 1.60 H new ATOM 0 HZ1 LYS A 546 -4.889 -1.867 12.508 1.00 2.07 H new ATOM 0 HZ2 LYS A 546 -3.710 -2.946 13.081 1.00 2.07 H new ATOM 0 HZ3 LYS A 546 -3.899 -2.703 11.411 1.00 2.07 H new ATOM 728 N VAL A 547 -3.280 -4.161 8.388 1.00 0.16 N ATOM 729 CA VAL A 547 -2.657 -2.896 8.044 1.00 0.15 C ATOM 730 C VAL A 547 -2.427 -2.066 9.298 1.00 0.18 C ATOM 731 O VAL A 547 -3.374 -1.725 10.010 1.00 0.20 O ATOM 732 CB VAL A 547 -3.540 -2.116 7.048 1.00 0.16 C ATOM 733 CG1 VAL A 547 -2.999 -0.719 6.790 1.00 0.18 C ATOM 734 CG2 VAL A 547 -3.658 -2.887 5.745 1.00 0.14 C ATOM 0 H VAL A 547 -4.299 -4.143 8.347 1.00 0.16 H new ATOM 0 HA VAL A 547 -1.695 -3.099 7.574 1.00 0.15 H new ATOM 0 HB VAL A 547 -4.529 -2.006 7.492 1.00 0.16 H new ATOM 0 HG11 VAL A 547 -3.649 -0.202 6.084 1.00 0.18 H new ATOM 0 HG12 VAL A 547 -2.966 -0.163 7.727 1.00 0.18 H new ATOM 0 HG13 VAL A 547 -1.994 -0.789 6.374 1.00 0.18 H new ATOM 0 HG21 VAL A 547 -4.283 -2.329 5.048 1.00 0.14 H new ATOM 0 HG22 VAL A 547 -2.667 -3.026 5.313 1.00 0.14 H new ATOM 0 HG23 VAL A 547 -4.109 -3.860 5.938 1.00 0.14 H new ATOM 744 N THR A 548 -1.168 -1.796 9.599 1.00 0.20 N ATOM 745 CA THR A 548 -0.823 -0.995 10.759 1.00 0.23 C ATOM 746 C THR A 548 -0.517 0.451 10.385 1.00 0.23 C ATOM 747 O THR A 548 -0.833 1.376 11.135 1.00 0.27 O ATOM 748 CB THR A 548 0.385 -1.608 11.484 1.00 0.27 C ATOM 749 OG1 THR A 548 1.432 -1.862 10.539 1.00 0.26 O ATOM 750 CG2 THR A 548 -0.003 -2.903 12.179 1.00 0.31 C ATOM 0 H THR A 548 -0.368 -2.120 9.055 1.00 0.20 H new ATOM 0 HA THR A 548 -1.689 -0.992 11.421 1.00 0.23 H new ATOM 0 HB THR A 548 0.733 -0.903 12.239 1.00 0.27 H new ATOM 0 HG1 THR A 548 2.203 -2.251 11.002 1.00 0.26 H new ATOM 0 HG21 THR A 548 0.868 -3.319 12.686 1.00 0.31 H new ATOM 0 HG22 THR A 548 -0.787 -2.703 12.910 1.00 0.31 H new ATOM 0 HG23 THR A 548 -0.369 -3.617 11.441 1.00 0.31 H new ATOM 758 N ASN A 549 0.075 0.645 9.216 1.00 0.20 N ATOM 759 CA ASN A 549 0.440 1.981 8.762 1.00 0.21 C ATOM 760 C ASN A 549 0.212 2.107 7.266 1.00 0.18 C ATOM 761 O ASN A 549 0.266 1.124 6.536 1.00 0.20 O ATOM 762 CB ASN A 549 1.912 2.303 9.079 1.00 0.26 C ATOM 763 CG ASN A 549 2.255 2.212 10.557 1.00 0.40 C ATOM 764 OD1 ASN A 549 2.107 3.316 11.273 1.00 1.26 O flip ATOM 765 ND2 ASN A 549 2.658 1.159 11.051 1.00 0.81 N flip ATOM 0 H ASN A 549 0.313 -0.103 8.565 1.00 0.20 H new ATOM 0 HA ASN A 549 -0.192 2.692 9.294 1.00 0.21 H new ATOM 0 HB2 ASN A 549 2.552 1.617 8.524 1.00 0.26 H new ATOM 0 HB3 ASN A 549 2.139 3.308 8.724 1.00 0.26 H new ATOM 0 HD21 ASN A 549 2.760 0.328 10.468 1.00 0.81 H new ATOM 0 HD22 ASN A 549 2.890 1.117 12.043 1.00 0.81 H new ATOM 772 N TYR A 550 -0.060 3.321 6.823 1.00 0.17 N ATOM 773 CA TYR A 550 -0.337 3.593 5.423 1.00 0.17 C ATOM 774 C TYR A 550 -0.132 5.072 5.136 1.00 0.17 C ATOM 775 O TYR A 550 -0.300 5.906 6.024 1.00 0.17 O ATOM 776 CB TYR A 550 -1.772 3.161 5.083 1.00 0.17 C ATOM 777 CG TYR A 550 -2.832 3.790 5.971 1.00 0.17 C ATOM 778 CD1 TYR A 550 -3.751 4.697 5.462 1.00 0.19 C ATOM 779 CD2 TYR A 550 -2.907 3.474 7.325 1.00 0.19 C ATOM 780 CE1 TYR A 550 -4.714 5.266 6.278 1.00 0.22 C ATOM 781 CE2 TYR A 550 -3.863 4.039 8.140 1.00 0.24 C ATOM 782 CZ TYR A 550 -4.763 4.933 7.612 1.00 0.25 C ATOM 783 OH TYR A 550 -5.725 5.487 8.422 1.00 0.31 O ATOM 0 H TYR A 550 -0.095 4.146 7.422 1.00 0.17 H new ATOM 0 HA TYR A 550 0.350 3.023 4.798 1.00 0.17 H new ATOM 0 HB2 TYR A 550 -1.982 3.419 4.045 1.00 0.17 H new ATOM 0 HB3 TYR A 550 -1.843 2.076 5.162 1.00 0.17 H new ATOM 0 HD1 TYR A 550 -3.714 4.962 4.416 1.00 0.19 H new ATOM 0 HD2 TYR A 550 -2.202 2.772 7.745 1.00 0.19 H new ATOM 0 HE1 TYR A 550 -5.424 5.969 5.869 1.00 0.22 H new ATOM 0 HE2 TYR A 550 -3.905 3.781 9.188 1.00 0.24 H new ATOM 0 HH TYR A 550 -5.620 5.146 9.335 1.00 0.31 H new ATOM 793 N ILE A 551 0.237 5.393 3.903 1.00 0.18 N ATOM 794 CA ILE A 551 0.509 6.768 3.501 1.00 0.16 C ATOM 795 C ILE A 551 0.017 6.950 2.077 1.00 0.17 C ATOM 796 O ILE A 551 0.452 6.226 1.188 1.00 0.20 O ATOM 797 CB ILE A 551 2.026 7.061 3.515 1.00 0.18 C ATOM 798 CG1 ILE A 551 2.666 6.602 4.830 1.00 0.19 C ATOM 799 CG2 ILE A 551 2.292 8.541 3.294 1.00 0.22 C ATOM 800 CD1 ILE A 551 4.174 6.741 4.860 1.00 0.20 C ATOM 0 H ILE A 551 0.356 4.710 3.155 1.00 0.18 H new ATOM 0 HA ILE A 551 0.008 7.442 4.196 1.00 0.16 H new ATOM 0 HB ILE A 551 2.478 6.498 2.698 1.00 0.18 H new ATOM 0 HG12 ILE A 551 2.241 7.180 5.651 1.00 0.19 H new ATOM 0 HG13 ILE A 551 2.404 5.559 5.006 1.00 0.19 H new ATOM 0 HG21 ILE A 551 3.367 8.724 3.308 1.00 0.22 H new ATOM 0 HG22 ILE A 551 1.885 8.844 2.329 1.00 0.22 H new ATOM 0 HG23 ILE A 551 1.816 9.119 4.086 1.00 0.22 H new ATOM 0 HD11 ILE A 551 4.552 6.396 5.822 1.00 0.20 H new ATOM 0 HD12 ILE A 551 4.611 6.140 4.062 1.00 0.20 H new ATOM 0 HD13 ILE A 551 4.446 7.787 4.717 1.00 0.20 H new ATOM 812 N LEU A 552 -0.890 7.879 1.841 1.00 0.16 N ATOM 813 CA LEU A 552 -1.433 8.034 0.503 1.00 0.19 C ATOM 814 C LEU A 552 -0.993 9.337 -0.130 1.00 0.19 C ATOM 815 O LEU A 552 -1.249 10.406 0.418 1.00 0.26 O ATOM 816 CB LEU A 552 -2.949 7.953 0.497 1.00 0.27 C ATOM 817 CG LEU A 552 -3.543 6.656 1.019 1.00 0.30 C ATOM 818 CD1 LEU A 552 -5.001 6.601 0.655 1.00 0.43 C ATOM 819 CD2 LEU A 552 -2.807 5.445 0.482 1.00 0.42 C ATOM 0 H LEU A 552 -1.260 8.524 2.539 1.00 0.16 H new ATOM 0 HA LEU A 552 -1.038 7.207 -0.087 1.00 0.19 H new ATOM 0 HB2 LEU A 552 -3.341 8.776 1.094 1.00 0.27 H new ATOM 0 HB3 LEU A 552 -3.298 8.106 -0.524 1.00 0.27 H new ATOM 0 HG LEU A 552 -3.436 6.635 2.104 1.00 0.30 H new ATOM 0 HD11 LEU A 552 -5.434 5.672 1.027 1.00 0.43 H new ATOM 0 HD12 LEU A 552 -5.520 7.448 1.103 1.00 0.43 H new ATOM 0 HD13 LEU A 552 -5.107 6.642 -0.429 1.00 0.43 H new ATOM 0 HD21 LEU A 552 -3.262 4.537 0.879 1.00 0.42 H new ATOM 0 HD22 LEU A 552 -2.867 5.436 -0.606 1.00 0.42 H new ATOM 0 HD23 LEU A 552 -1.762 5.490 0.787 1.00 0.42 H new ATOM 831 N MET A 553 -0.381 9.273 -1.299 1.00 0.18 N ATOM 832 CA MET A 553 -0.042 10.491 -2.008 1.00 0.26 C ATOM 833 C MET A 553 -0.888 10.584 -3.263 1.00 0.26 C ATOM 834 O MET A 553 -0.454 10.202 -4.353 1.00 0.25 O ATOM 835 CB MET A 553 1.444 10.544 -2.376 1.00 0.35 C ATOM 836 CG MET A 553 2.381 10.510 -1.181 1.00 0.56 C ATOM 837 SD MET A 553 2.651 8.847 -0.538 1.00 1.03 S ATOM 838 CE MET A 553 3.587 8.125 -1.880 1.00 0.80 C ATOM 0 H MET A 553 -0.113 8.408 -1.769 1.00 0.18 H new ATOM 0 HA MET A 553 -0.245 11.337 -1.351 1.00 0.26 H new ATOM 0 HB2 MET A 553 1.676 9.703 -3.030 1.00 0.35 H new ATOM 0 HB3 MET A 553 1.634 11.453 -2.947 1.00 0.35 H new ATOM 0 HG2 MET A 553 3.340 10.942 -1.467 1.00 0.56 H new ATOM 0 HG3 MET A 553 1.972 11.137 -0.389 1.00 0.56 H new ATOM 0 HE1 MET A 553 3.459 7.043 -1.872 1.00 0.80 H new ATOM 0 HE2 MET A 553 3.230 8.525 -2.829 1.00 0.80 H new ATOM 0 HE3 MET A 553 4.643 8.367 -1.758 1.00 0.80 H new ATOM 848 N LYS A 554 -2.099 11.092 -3.095 1.00 0.32 N ATOM 849 CA LYS A 554 -3.005 11.342 -4.214 1.00 0.37 C ATOM 850 C LYS A 554 -2.355 12.190 -5.304 1.00 0.38 C ATOM 851 O LYS A 554 -2.701 12.066 -6.475 1.00 0.40 O ATOM 852 CB LYS A 554 -4.288 12.034 -3.724 1.00 0.47 C ATOM 853 CG LYS A 554 -4.539 11.939 -2.217 1.00 0.43 C ATOM 854 CD LYS A 554 -4.783 10.510 -1.745 1.00 0.37 C ATOM 855 CE LYS A 554 -5.073 10.456 -0.251 1.00 0.39 C ATOM 856 NZ LYS A 554 -6.379 11.079 0.098 1.00 1.03 N ATOM 0 H LYS A 554 -2.484 11.343 -2.184 1.00 0.32 H new ATOM 0 HA LYS A 554 -3.251 10.371 -4.645 1.00 0.37 H new ATOM 0 HB2 LYS A 554 -4.245 13.086 -4.004 1.00 0.47 H new ATOM 0 HB3 LYS A 554 -5.140 11.599 -4.247 1.00 0.47 H new ATOM 0 HG2 LYS A 554 -3.682 12.351 -1.684 1.00 0.43 H new ATOM 0 HG3 LYS A 554 -5.401 12.554 -1.958 1.00 0.43 H new ATOM 0 HD2 LYS A 554 -5.621 10.083 -2.295 1.00 0.37 H new ATOM 0 HD3 LYS A 554 -3.910 9.898 -1.969 1.00 0.37 H new ATOM 0 HE2 LYS A 554 -5.070 9.417 0.079 1.00 0.39 H new ATOM 0 HE3 LYS A 554 -4.275 10.965 0.290 1.00 0.39 H new ATOM 0 HZ1 LYS A 554 -6.601 10.884 1.095 1.00 1.03 H new ATOM 0 HZ2 LYS A 554 -6.324 12.107 -0.050 1.00 1.03 H new ATOM 0 HZ3 LYS A 554 -7.126 10.682 -0.507 1.00 1.03 H new ATOM 870 N SER A 555 -1.406 13.035 -4.924 1.00 0.40 N ATOM 871 CA SER A 555 -0.821 13.986 -5.852 1.00 0.44 C ATOM 872 C SER A 555 0.039 13.292 -6.912 1.00 0.38 C ATOM 873 O SER A 555 0.035 13.687 -8.078 1.00 0.38 O ATOM 874 CB SER A 555 0.012 15.007 -5.080 1.00 0.51 C ATOM 875 OG SER A 555 1.026 14.367 -4.320 1.00 0.50 O ATOM 0 H SER A 555 -1.026 13.079 -3.978 1.00 0.40 H new ATOM 0 HA SER A 555 -1.633 14.493 -6.374 1.00 0.44 H new ATOM 0 HB2 SER A 555 0.465 15.713 -5.776 1.00 0.51 H new ATOM 0 HB3 SER A 555 -0.635 15.583 -4.418 1.00 0.51 H new ATOM 0 HG SER A 555 1.547 15.041 -3.836 1.00 0.50 H new ATOM 881 N THR A 556 0.778 12.267 -6.503 1.00 0.34 N ATOM 882 CA THR A 556 1.709 11.596 -7.397 1.00 0.32 C ATOM 883 C THR A 556 1.197 10.232 -7.854 1.00 0.27 C ATOM 884 O THR A 556 1.920 9.489 -8.524 1.00 0.28 O ATOM 885 CB THR A 556 3.081 11.415 -6.718 1.00 0.36 C ATOM 886 OG1 THR A 556 2.922 10.748 -5.456 1.00 0.34 O ATOM 887 CG2 THR A 556 3.769 12.752 -6.501 1.00 0.45 C ATOM 0 H THR A 556 0.749 11.884 -5.558 1.00 0.34 H new ATOM 0 HA THR A 556 1.808 12.234 -8.275 1.00 0.32 H new ATOM 0 HB THR A 556 3.703 10.810 -7.378 1.00 0.36 H new ATOM 0 HG1 THR A 556 3.627 11.039 -4.841 1.00 0.34 H new ATOM 0 HG21 THR A 556 4.734 12.591 -6.020 1.00 0.45 H new ATOM 0 HG22 THR A 556 3.920 13.244 -7.462 1.00 0.45 H new ATOM 0 HG23 THR A 556 3.148 13.382 -5.865 1.00 0.45 H new ATOM 895 N ASN A 557 -0.052 9.921 -7.504 1.00 0.26 N ATOM 896 CA ASN A 557 -0.661 8.625 -7.827 1.00 0.26 C ATOM 897 C ASN A 557 0.152 7.486 -7.211 1.00 0.21 C ATOM 898 O ASN A 557 0.319 6.414 -7.806 1.00 0.25 O ATOM 899 CB ASN A 557 -0.770 8.433 -9.349 1.00 0.31 C ATOM 900 CG ASN A 557 -1.697 9.436 -10.016 1.00 0.38 C ATOM 901 OD1 ASN A 557 -1.831 10.577 -9.575 1.00 1.09 O ATOM 902 ND2 ASN A 557 -2.341 9.017 -11.091 1.00 1.28 N ATOM 0 H ASN A 557 -0.668 10.553 -6.993 1.00 0.26 H new ATOM 0 HA ASN A 557 -1.666 8.610 -7.406 1.00 0.26 H new ATOM 0 HB2 ASN A 557 0.223 8.517 -9.791 1.00 0.31 H new ATOM 0 HB3 ASN A 557 -1.127 7.424 -9.556 1.00 0.31 H new ATOM 0 HD21 ASN A 557 -2.974 9.647 -11.584 1.00 1.28 H new ATOM 0 HD22 ASN A 557 -2.205 8.064 -11.428 1.00 1.28 H new ATOM 909 N GLN A 558 0.628 7.725 -5.998 1.00 0.17 N ATOM 910 CA GLN A 558 1.516 6.798 -5.305 1.00 0.17 C ATOM 911 C GLN A 558 1.110 6.680 -3.846 1.00 0.16 C ATOM 912 O GLN A 558 0.499 7.595 -3.302 1.00 0.20 O ATOM 913 CB GLN A 558 2.960 7.295 -5.399 1.00 0.22 C ATOM 914 CG GLN A 558 3.527 7.261 -6.810 1.00 0.29 C ATOM 915 CD GLN A 558 4.895 7.915 -6.931 1.00 0.41 C ATOM 916 OE1 GLN A 558 5.728 7.475 -7.718 1.00 0.78 O ATOM 917 NE2 GLN A 558 5.125 8.998 -6.200 1.00 0.84 N ATOM 0 H GLN A 558 0.411 8.567 -5.465 1.00 0.17 H new ATOM 0 HA GLN A 558 1.441 5.818 -5.776 1.00 0.17 H new ATOM 0 HB2 GLN A 558 3.009 8.316 -5.022 1.00 0.22 H new ATOM 0 HB3 GLN A 558 3.588 6.685 -4.750 1.00 0.22 H new ATOM 0 HG2 GLN A 558 3.598 6.224 -7.139 1.00 0.29 H new ATOM 0 HG3 GLN A 558 2.833 7.762 -7.484 1.00 0.29 H new ATOM 0 HE21 GLN A 558 4.412 9.339 -5.555 1.00 0.84 H new ATOM 0 HE22 GLN A 558 6.015 9.490 -6.283 1.00 0.84 H new ATOM 926 N ALA A 559 1.428 5.559 -3.210 1.00 0.15 N ATOM 927 CA ALA A 559 1.079 5.360 -1.815 1.00 0.14 C ATOM 928 C ALA A 559 1.978 4.318 -1.142 1.00 0.14 C ATOM 929 O ALA A 559 2.707 3.579 -1.804 1.00 0.16 O ATOM 930 CB ALA A 559 -0.374 4.956 -1.705 1.00 0.15 C ATOM 0 H ALA A 559 1.925 4.778 -3.639 1.00 0.15 H new ATOM 0 HA ALA A 559 1.235 6.304 -1.292 1.00 0.14 H new ATOM 0 HB1 ALA A 559 -0.632 4.808 -0.656 1.00 0.15 H new ATOM 0 HB2 ALA A 559 -1.003 5.741 -2.126 1.00 0.15 H new ATOM 0 HB3 ALA A 559 -0.536 4.028 -2.253 1.00 0.15 H new ATOM 936 N PHE A 560 1.937 4.306 0.180 1.00 0.14 N ATOM 937 CA PHE A 560 2.674 3.334 0.983 1.00 0.15 C ATOM 938 C PHE A 560 1.722 2.529 1.857 1.00 0.14 C ATOM 939 O PHE A 560 0.713 3.053 2.335 1.00 0.16 O ATOM 940 CB PHE A 560 3.712 4.022 1.876 1.00 0.16 C ATOM 941 CG PHE A 560 4.858 4.653 1.134 1.00 0.20 C ATOM 942 CD1 PHE A 560 5.969 3.902 0.787 1.00 0.26 C ATOM 943 CD2 PHE A 560 4.830 5.995 0.799 1.00 0.29 C ATOM 944 CE1 PHE A 560 7.031 4.480 0.119 1.00 0.30 C ATOM 945 CE2 PHE A 560 5.889 6.579 0.129 1.00 0.35 C ATOM 946 CZ PHE A 560 6.990 5.820 -0.210 1.00 0.30 C ATOM 0 H PHE A 560 1.392 4.969 0.731 1.00 0.14 H new ATOM 0 HA PHE A 560 3.189 2.667 0.292 1.00 0.15 H new ATOM 0 HB2 PHE A 560 3.212 4.790 2.466 1.00 0.16 H new ATOM 0 HB3 PHE A 560 4.110 3.289 2.578 1.00 0.16 H new ATOM 0 HD1 PHE A 560 6.005 2.853 1.042 1.00 0.26 H new ATOM 0 HD2 PHE A 560 3.971 6.593 1.064 1.00 0.29 H new ATOM 0 HE1 PHE A 560 7.892 3.884 -0.145 1.00 0.30 H new ATOM 0 HE2 PHE A 560 5.854 7.627 -0.128 1.00 0.35 H new ATOM 0 HZ PHE A 560 7.819 6.274 -0.732 1.00 0.30 H new ATOM 956 N LEU A 561 2.051 1.263 2.068 1.00 0.14 N ATOM 957 CA LEU A 561 1.235 0.382 2.886 1.00 0.14 C ATOM 958 C LEU A 561 2.121 -0.491 3.774 1.00 0.16 C ATOM 959 O LEU A 561 2.951 -1.253 3.282 1.00 0.18 O ATOM 960 CB LEU A 561 0.363 -0.491 1.973 1.00 0.15 C ATOM 961 CG LEU A 561 -0.585 -1.466 2.676 1.00 0.17 C ATOM 962 CD1 LEU A 561 -1.586 -0.711 3.537 1.00 0.19 C ATOM 963 CD2 LEU A 561 -1.310 -2.331 1.649 1.00 0.20 C ATOM 0 H LEU A 561 2.885 0.821 1.680 1.00 0.14 H new ATOM 0 HA LEU A 561 0.593 0.980 3.532 1.00 0.14 H new ATOM 0 HB2 LEU A 561 -0.230 0.165 1.336 1.00 0.15 H new ATOM 0 HB3 LEU A 561 1.019 -1.063 1.317 1.00 0.15 H new ATOM 0 HG LEU A 561 0.004 -2.115 3.324 1.00 0.17 H new ATOM 0 HD11 LEU A 561 -2.251 -1.421 4.029 1.00 0.19 H new ATOM 0 HD12 LEU A 561 -1.053 -0.131 4.291 1.00 0.19 H new ATOM 0 HD13 LEU A 561 -2.172 -0.039 2.910 1.00 0.19 H new ATOM 0 HD21 LEU A 561 -1.981 -3.020 2.162 1.00 0.20 H new ATOM 0 HD22 LEU A 561 -1.887 -1.694 0.979 1.00 0.20 H new ATOM 0 HD23 LEU A 561 -0.580 -2.898 1.071 1.00 0.20 H new ATOM 975 N GLU A 562 1.955 -0.348 5.080 1.00 0.17 N ATOM 976 CA GLU A 562 2.679 -1.171 6.041 1.00 0.20 C ATOM 977 C GLU A 562 1.767 -2.262 6.576 1.00 0.18 C ATOM 978 O GLU A 562 0.604 -2.016 6.918 1.00 0.18 O ATOM 979 CB GLU A 562 3.231 -0.327 7.192 1.00 0.27 C ATOM 980 CG GLU A 562 4.662 -0.682 7.594 1.00 0.57 C ATOM 981 CD GLU A 562 4.811 -2.087 8.158 1.00 1.17 C ATOM 982 OE1 GLU A 562 4.940 -3.041 7.358 1.00 2.09 O ATOM 983 OE2 GLU A 562 4.776 -2.251 9.394 1.00 1.21 O ATOM 0 H GLU A 562 1.323 0.333 5.501 1.00 0.17 H new ATOM 0 HA GLU A 562 3.526 -1.629 5.529 1.00 0.20 H new ATOM 0 HB2 GLU A 562 3.195 0.725 6.907 1.00 0.27 H new ATOM 0 HB3 GLU A 562 2.581 -0.445 8.059 1.00 0.27 H new ATOM 0 HG2 GLU A 562 5.310 -0.579 6.724 1.00 0.57 H new ATOM 0 HG3 GLU A 562 5.010 0.036 8.337 1.00 0.57 H new ATOM 990 N MET A 563 2.307 -3.457 6.654 1.00 0.25 N ATOM 991 CA MET A 563 1.537 -4.637 6.984 1.00 0.23 C ATOM 992 C MET A 563 2.148 -5.291 8.210 1.00 0.27 C ATOM 993 O MET A 563 3.361 -5.347 8.336 1.00 0.39 O ATOM 994 CB MET A 563 1.561 -5.585 5.789 1.00 0.25 C ATOM 995 CG MET A 563 1.183 -4.890 4.490 1.00 0.25 C ATOM 996 SD MET A 563 1.731 -5.786 3.028 1.00 0.31 S ATOM 997 CE MET A 563 1.204 -4.668 1.729 1.00 0.25 C ATOM 0 H MET A 563 3.297 -3.640 6.490 1.00 0.25 H new ATOM 0 HA MET A 563 0.502 -4.379 7.206 1.00 0.23 H new ATOM 0 HB2 MET A 563 2.557 -6.016 5.691 1.00 0.25 H new ATOM 0 HB3 MET A 563 0.873 -6.411 5.970 1.00 0.25 H new ATOM 0 HG2 MET A 563 0.100 -4.769 4.451 1.00 0.25 H new ATOM 0 HG3 MET A 563 1.616 -3.890 4.480 1.00 0.25 H new ATOM 0 HE1 MET A 563 1.393 -5.124 0.757 1.00 0.25 H new ATOM 0 HE2 MET A 563 0.138 -4.465 1.834 1.00 0.25 H new ATOM 0 HE3 MET A 563 1.760 -3.734 1.805 1.00 0.25 H new ATOM 1007 N ALA A 564 1.307 -5.801 9.099 1.00 0.28 N ATOM 1008 CA ALA A 564 1.752 -6.234 10.422 1.00 0.33 C ATOM 1009 C ALA A 564 2.679 -7.440 10.355 1.00 0.27 C ATOM 1010 O ALA A 564 3.367 -7.759 11.326 1.00 0.40 O ATOM 1011 CB ALA A 564 0.549 -6.544 11.297 1.00 0.50 C ATOM 0 H ALA A 564 0.309 -5.926 8.930 1.00 0.28 H new ATOM 0 HA ALA A 564 2.323 -5.415 10.859 1.00 0.33 H new ATOM 0 HB1 ALA A 564 0.888 -6.866 12.281 1.00 0.50 H new ATOM 0 HB2 ALA A 564 -0.066 -5.650 11.400 1.00 0.50 H new ATOM 0 HB3 ALA A 564 -0.039 -7.339 10.838 1.00 0.50 H new ATOM 1017 N TYR A 565 2.683 -8.113 9.216 1.00 0.27 N ATOM 1018 CA TYR A 565 3.506 -9.292 9.027 1.00 0.37 C ATOM 1019 C TYR A 565 4.134 -9.273 7.640 1.00 0.33 C ATOM 1020 O TYR A 565 3.504 -8.864 6.665 1.00 0.29 O ATOM 1021 CB TYR A 565 2.667 -10.560 9.193 1.00 0.55 C ATOM 1022 CG TYR A 565 2.006 -10.696 10.545 1.00 0.68 C ATOM 1023 CD1 TYR A 565 0.684 -10.311 10.731 1.00 0.75 C ATOM 1024 CD2 TYR A 565 2.698 -11.211 11.631 1.00 0.86 C ATOM 1025 CE1 TYR A 565 0.074 -10.435 11.963 1.00 0.90 C ATOM 1026 CE2 TYR A 565 2.093 -11.339 12.866 1.00 1.00 C ATOM 1027 CZ TYR A 565 0.783 -10.950 13.027 1.00 0.98 C ATOM 1028 OH TYR A 565 0.174 -11.079 14.256 1.00 1.15 O ATOM 0 H TYR A 565 2.120 -7.859 8.404 1.00 0.27 H new ATOM 0 HA TYR A 565 4.294 -9.288 9.780 1.00 0.37 H new ATOM 0 HB2 TYR A 565 1.897 -10.575 8.422 1.00 0.55 H new ATOM 0 HB3 TYR A 565 3.304 -11.428 9.024 1.00 0.55 H new ATOM 0 HD1 TYR A 565 0.125 -9.909 9.899 1.00 0.75 H new ATOM 0 HD2 TYR A 565 3.727 -11.517 11.509 1.00 0.86 H new ATOM 0 HE1 TYR A 565 -0.954 -10.130 12.093 1.00 0.90 H new ATOM 0 HE2 TYR A 565 2.646 -11.743 13.702 1.00 1.00 H new ATOM 0 HH TYR A 565 0.810 -11.459 14.898 1.00 1.15 H new ATOM 1038 N THR A 566 5.379 -9.727 7.569 1.00 0.39 N ATOM 1039 CA THR A 566 6.118 -9.791 6.316 1.00 0.40 C ATOM 1040 C THR A 566 5.427 -10.742 5.336 1.00 0.36 C ATOM 1041 O THR A 566 5.544 -10.592 4.118 1.00 0.35 O ATOM 1042 CB THR A 566 7.585 -10.229 6.560 1.00 0.51 C ATOM 1043 OG1 THR A 566 8.366 -10.058 5.372 1.00 0.57 O ATOM 1044 CG2 THR A 566 7.667 -11.679 7.018 1.00 0.57 C ATOM 0 H THR A 566 5.904 -10.061 8.378 1.00 0.39 H new ATOM 0 HA THR A 566 6.133 -8.793 5.878 1.00 0.40 H new ATOM 0 HB THR A 566 7.985 -9.595 7.351 1.00 0.51 H new ATOM 0 HG1 THR A 566 9.289 -10.338 5.544 1.00 0.57 H new ATOM 0 HG21 THR A 566 8.710 -11.951 7.179 1.00 0.57 H new ATOM 0 HG22 THR A 566 7.113 -11.798 7.949 1.00 0.57 H new ATOM 0 HG23 THR A 566 7.237 -12.327 6.254 1.00 0.57 H new ATOM 1052 N GLU A 567 4.706 -11.717 5.890 1.00 0.38 N ATOM 1053 CA GLU A 567 3.914 -12.655 5.100 1.00 0.40 C ATOM 1054 C GLU A 567 2.928 -11.913 4.206 1.00 0.31 C ATOM 1055 O GLU A 567 2.650 -12.332 3.087 1.00 0.32 O ATOM 1056 CB GLU A 567 3.143 -13.606 6.022 1.00 0.49 C ATOM 1057 CG GLU A 567 2.017 -12.931 6.794 1.00 0.55 C ATOM 1058 CD GLU A 567 1.248 -13.896 7.665 1.00 0.71 C ATOM 1059 OE1 GLU A 567 1.678 -14.134 8.813 1.00 0.89 O ATOM 1060 OE2 GLU A 567 0.205 -14.412 7.211 1.00 0.84 O ATOM 0 H GLU A 567 4.656 -11.877 6.896 1.00 0.38 H new ATOM 0 HA GLU A 567 4.598 -13.228 4.474 1.00 0.40 H new ATOM 0 HB2 GLU A 567 2.727 -14.418 5.426 1.00 0.49 H new ATOM 0 HB3 GLU A 567 3.839 -14.055 6.730 1.00 0.49 H new ATOM 0 HG2 GLU A 567 2.433 -12.138 7.416 1.00 0.55 H new ATOM 0 HG3 GLU A 567 1.332 -12.458 6.090 1.00 0.55 H new ATOM 1067 N ALA A 568 2.432 -10.789 4.701 1.00 0.26 N ATOM 1068 CA ALA A 568 1.404 -10.042 4.008 1.00 0.24 C ATOM 1069 C ALA A 568 1.991 -9.332 2.803 1.00 0.21 C ATOM 1070 O ALA A 568 1.405 -9.338 1.723 1.00 0.22 O ATOM 1071 CB ALA A 568 0.745 -9.050 4.953 1.00 0.25 C ATOM 0 H ALA A 568 2.729 -10.376 5.585 1.00 0.26 H new ATOM 0 HA ALA A 568 0.641 -10.737 3.656 1.00 0.24 H new ATOM 0 HB1 ALA A 568 -0.026 -8.495 4.418 1.00 0.25 H new ATOM 0 HB2 ALA A 568 0.293 -9.587 5.787 1.00 0.25 H new ATOM 0 HB3 ALA A 568 1.495 -8.356 5.332 1.00 0.25 H new ATOM 1077 N ALA A 569 3.178 -8.762 2.981 1.00 0.19 N ATOM 1078 CA ALA A 569 3.805 -7.964 1.944 1.00 0.21 C ATOM 1079 C ALA A 569 4.145 -8.810 0.728 1.00 0.22 C ATOM 1080 O ALA A 569 3.848 -8.430 -0.402 1.00 0.24 O ATOM 1081 CB ALA A 569 5.059 -7.303 2.489 1.00 0.23 C ATOM 0 H ALA A 569 3.724 -8.841 3.839 1.00 0.19 H new ATOM 0 HA ALA A 569 3.098 -7.195 1.631 1.00 0.21 H new ATOM 0 HB1 ALA A 569 5.525 -6.705 1.706 1.00 0.23 H new ATOM 0 HB2 ALA A 569 4.796 -6.659 3.328 1.00 0.23 H new ATOM 0 HB3 ALA A 569 5.758 -8.069 2.825 1.00 0.23 H new ATOM 1087 N GLN A 570 4.744 -9.969 0.963 1.00 0.24 N ATOM 1088 CA GLN A 570 5.109 -10.852 -0.133 1.00 0.28 C ATOM 1089 C GLN A 570 3.867 -11.454 -0.779 1.00 0.27 C ATOM 1090 O GLN A 570 3.817 -11.620 -1.997 1.00 0.29 O ATOM 1091 CB GLN A 570 6.079 -11.946 0.326 1.00 0.34 C ATOM 1092 CG GLN A 570 5.577 -12.800 1.476 1.00 0.38 C ATOM 1093 CD GLN A 570 6.566 -13.886 1.858 1.00 0.51 C ATOM 1094 OE1 GLN A 570 6.574 -14.263 3.122 1.00 1.24 O flip ATOM 1095 NE2 GLN A 570 7.321 -14.380 1.020 1.00 1.04 N flip ATOM 0 H GLN A 570 4.985 -10.316 1.891 1.00 0.24 H new ATOM 0 HA GLN A 570 5.625 -10.254 -0.884 1.00 0.28 H new ATOM 0 HB2 GLN A 570 6.299 -12.595 -0.521 1.00 0.34 H new ATOM 0 HB3 GLN A 570 7.018 -11.479 0.622 1.00 0.34 H new ATOM 0 HG2 GLN A 570 5.385 -12.165 2.341 1.00 0.38 H new ATOM 0 HG3 GLN A 570 4.627 -13.257 1.199 1.00 0.38 H new ATOM 0 HE21 GLN A 570 7.285 -14.062 0.051 1.00 1.04 H new ATOM 0 HE22 GLN A 570 7.982 -15.107 1.294 1.00 1.04 H new ATOM 1104 N ALA A 571 2.860 -11.755 0.035 1.00 0.26 N ATOM 1105 CA ALA A 571 1.621 -12.334 -0.464 1.00 0.27 C ATOM 1106 C ALA A 571 0.904 -11.375 -1.405 1.00 0.25 C ATOM 1107 O ALA A 571 0.449 -11.773 -2.478 1.00 0.27 O ATOM 1108 CB ALA A 571 0.709 -12.708 0.694 1.00 0.31 C ATOM 0 H ALA A 571 2.879 -11.607 1.044 1.00 0.26 H new ATOM 0 HA ALA A 571 1.874 -13.234 -1.024 1.00 0.27 H new ATOM 0 HB1 ALA A 571 -0.214 -13.140 0.306 1.00 0.31 H new ATOM 0 HB2 ALA A 571 1.210 -13.436 1.331 1.00 0.31 H new ATOM 0 HB3 ALA A 571 0.476 -11.816 1.276 1.00 0.31 H new ATOM 1114 N MET A 572 0.810 -10.111 -1.006 1.00 0.25 N ATOM 1115 CA MET A 572 0.113 -9.117 -1.812 1.00 0.28 C ATOM 1116 C MET A 572 0.852 -8.855 -3.110 1.00 0.24 C ATOM 1117 O MET A 572 0.239 -8.818 -4.173 1.00 0.24 O ATOM 1118 CB MET A 572 -0.073 -7.806 -1.051 1.00 0.37 C ATOM 1119 CG MET A 572 -0.781 -7.978 0.275 1.00 0.47 C ATOM 1120 SD MET A 572 -1.360 -6.427 0.970 1.00 0.36 S ATOM 1121 CE MET A 572 -1.349 -6.846 2.710 1.00 0.33 C ATOM 0 H MET A 572 1.205 -9.753 -0.136 1.00 0.25 H new ATOM 0 HA MET A 572 -0.872 -9.524 -2.040 1.00 0.28 H new ATOM 0 HB2 MET A 572 0.903 -7.353 -0.878 1.00 0.37 H new ATOM 0 HB3 MET A 572 -0.641 -7.112 -1.671 1.00 0.37 H new ATOM 0 HG2 MET A 572 -1.629 -8.649 0.143 1.00 0.47 H new ATOM 0 HG3 MET A 572 -0.104 -8.456 0.983 1.00 0.47 H new ATOM 0 HE1 MET A 572 -1.475 -5.940 3.303 1.00 0.33 H new ATOM 0 HE2 MET A 572 -2.165 -7.536 2.923 1.00 0.33 H new ATOM 0 HE3 MET A 572 -0.400 -7.317 2.965 1.00 0.33 H new ATOM 1131 N VAL A 573 2.171 -8.698 -3.033 1.00 0.24 N ATOM 1132 CA VAL A 573 2.961 -8.430 -4.227 1.00 0.27 C ATOM 1133 C VAL A 573 2.783 -9.555 -5.240 1.00 0.25 C ATOM 1134 O VAL A 573 2.491 -9.303 -6.403 1.00 0.28 O ATOM 1135 CB VAL A 573 4.462 -8.257 -3.902 1.00 0.31 C ATOM 1136 CG1 VAL A 573 5.282 -8.084 -5.175 1.00 0.34 C ATOM 1137 CG2 VAL A 573 4.672 -7.069 -2.974 1.00 0.32 C ATOM 0 H VAL A 573 2.708 -8.751 -2.167 1.00 0.24 H new ATOM 0 HA VAL A 573 2.600 -7.493 -4.650 1.00 0.27 H new ATOM 0 HB VAL A 573 4.803 -9.161 -3.398 1.00 0.31 H new ATOM 0 HG11 VAL A 573 6.334 -7.964 -4.917 1.00 0.34 H new ATOM 0 HG12 VAL A 573 5.161 -8.963 -5.808 1.00 0.34 H new ATOM 0 HG13 VAL A 573 4.938 -7.200 -5.712 1.00 0.34 H new ATOM 0 HG21 VAL A 573 5.734 -6.962 -2.755 1.00 0.32 H new ATOM 0 HG22 VAL A 573 4.307 -6.162 -3.456 1.00 0.32 H new ATOM 0 HG23 VAL A 573 4.125 -7.232 -2.045 1.00 0.32 H new ATOM 1147 N GLN A 574 2.896 -10.794 -4.777 1.00 0.23 N ATOM 1148 CA GLN A 574 2.730 -11.951 -5.650 1.00 0.25 C ATOM 1149 C GLN A 574 1.312 -12.012 -6.212 1.00 0.23 C ATOM 1150 O GLN A 574 1.105 -12.384 -7.368 1.00 0.26 O ATOM 1151 CB GLN A 574 3.048 -13.242 -4.897 1.00 0.28 C ATOM 1152 CG GLN A 574 4.502 -13.349 -4.463 1.00 0.33 C ATOM 1153 CD GLN A 574 4.787 -14.610 -3.674 1.00 1.30 C ATOM 1154 OE1 GLN A 574 4.164 -15.650 -3.890 1.00 2.04 O ATOM 1155 NE2 GLN A 574 5.729 -14.525 -2.749 1.00 2.09 N ATOM 0 H GLN A 574 3.101 -11.024 -3.805 1.00 0.23 H new ATOM 0 HA GLN A 574 3.428 -11.846 -6.481 1.00 0.25 H new ATOM 0 HB2 GLN A 574 2.409 -13.307 -4.017 1.00 0.28 H new ATOM 0 HB3 GLN A 574 2.803 -14.093 -5.532 1.00 0.28 H new ATOM 0 HG2 GLN A 574 5.142 -13.325 -5.345 1.00 0.33 H new ATOM 0 HG3 GLN A 574 4.761 -12.480 -3.857 1.00 0.33 H new ATOM 0 HE21 GLN A 574 6.221 -13.644 -2.602 1.00 2.09 H new ATOM 0 HE22 GLN A 574 5.963 -15.341 -2.183 1.00 2.09 H new ATOM 1164 N TYR A 575 0.338 -11.646 -5.389 1.00 0.20 N ATOM 1165 CA TYR A 575 -1.054 -11.675 -5.812 1.00 0.20 C ATOM 1166 C TYR A 575 -1.327 -10.617 -6.876 1.00 0.20 C ATOM 1167 O TYR A 575 -1.817 -10.934 -7.952 1.00 0.22 O ATOM 1168 CB TYR A 575 -1.988 -11.465 -4.618 1.00 0.20 C ATOM 1169 CG TYR A 575 -3.454 -11.476 -4.987 1.00 0.22 C ATOM 1170 CD1 TYR A 575 -4.149 -10.291 -5.189 1.00 0.26 C ATOM 1171 CD2 TYR A 575 -4.142 -12.673 -5.136 1.00 0.33 C ATOM 1172 CE1 TYR A 575 -5.488 -10.297 -5.527 1.00 0.34 C ATOM 1173 CE2 TYR A 575 -5.480 -12.688 -5.475 1.00 0.40 C ATOM 1174 CZ TYR A 575 -6.148 -11.498 -5.669 1.00 0.39 C ATOM 1175 OH TYR A 575 -7.481 -11.509 -6.006 1.00 0.48 O ATOM 0 H TYR A 575 0.485 -11.328 -4.431 1.00 0.20 H new ATOM 0 HA TYR A 575 -1.247 -12.657 -6.243 1.00 0.20 H new ATOM 0 HB2 TYR A 575 -1.802 -12.245 -3.880 1.00 0.20 H new ATOM 0 HB3 TYR A 575 -1.749 -10.514 -4.143 1.00 0.20 H new ATOM 0 HD1 TYR A 575 -3.633 -9.348 -5.080 1.00 0.26 H new ATOM 0 HD2 TYR A 575 -3.622 -13.607 -4.984 1.00 0.33 H new ATOM 0 HE1 TYR A 575 -6.014 -9.366 -5.679 1.00 0.34 H new ATOM 0 HE2 TYR A 575 -6.001 -13.627 -5.588 1.00 0.40 H new ATOM 0 HH TYR A 575 -7.795 -12.435 -6.067 1.00 0.48 H new ATOM 1185 N TYR A 576 -0.979 -9.372 -6.577 1.00 0.21 N ATOM 1186 CA TYR A 576 -1.254 -8.254 -7.478 1.00 0.25 C ATOM 1187 C TYR A 576 -0.344 -8.251 -8.708 1.00 0.30 C ATOM 1188 O TYR A 576 -0.590 -7.517 -9.667 1.00 0.34 O ATOM 1189 CB TYR A 576 -1.184 -6.924 -6.722 1.00 0.28 C ATOM 1190 CG TYR A 576 -2.247 -6.812 -5.645 1.00 0.26 C ATOM 1191 CD1 TYR A 576 -3.586 -6.631 -5.977 1.00 0.32 C ATOM 1192 CD2 TYR A 576 -1.918 -6.908 -4.300 1.00 0.32 C ATOM 1193 CE1 TYR A 576 -4.560 -6.551 -4.996 1.00 0.31 C ATOM 1194 CE2 TYR A 576 -2.884 -6.826 -3.317 1.00 0.36 C ATOM 1195 CZ TYR A 576 -4.202 -6.647 -3.669 1.00 0.29 C ATOM 1196 OH TYR A 576 -5.165 -6.575 -2.688 1.00 0.35 O ATOM 0 H TYR A 576 -0.504 -9.108 -5.714 1.00 0.21 H new ATOM 0 HA TYR A 576 -2.269 -8.384 -7.853 1.00 0.25 H new ATOM 0 HB2 TYR A 576 -0.199 -6.819 -6.268 1.00 0.28 H new ATOM 0 HB3 TYR A 576 -1.299 -6.102 -7.428 1.00 0.28 H new ATOM 0 HD1 TYR A 576 -3.870 -6.552 -7.016 1.00 0.32 H new ATOM 0 HD2 TYR A 576 -0.886 -7.050 -4.017 1.00 0.32 H new ATOM 0 HE1 TYR A 576 -5.596 -6.414 -5.270 1.00 0.31 H new ATOM 0 HE2 TYR A 576 -2.606 -6.902 -2.276 1.00 0.36 H new ATOM 0 HH TYR A 576 -4.744 -6.353 -1.832 1.00 0.35 H new ATOM 1206 N GLN A 577 0.713 -9.052 -8.678 1.00 0.31 N ATOM 1207 CA GLN A 577 1.523 -9.257 -9.872 1.00 0.38 C ATOM 1208 C GLN A 577 0.760 -10.095 -10.887 1.00 0.37 C ATOM 1209 O GLN A 577 0.776 -9.804 -12.083 1.00 0.42 O ATOM 1210 CB GLN A 577 2.868 -9.923 -9.555 1.00 0.45 C ATOM 1211 CG GLN A 577 3.890 -8.997 -8.908 1.00 0.52 C ATOM 1212 CD GLN A 577 4.334 -7.869 -9.824 1.00 1.04 C ATOM 1213 OE1 GLN A 577 3.571 -7.384 -10.661 1.00 1.89 O ATOM 1214 NE2 GLN A 577 5.583 -7.457 -9.686 1.00 1.57 N ATOM 0 H GLN A 577 1.027 -9.564 -7.853 1.00 0.31 H new ATOM 0 HA GLN A 577 1.733 -8.273 -10.290 1.00 0.38 H new ATOM 0 HB2 GLN A 577 2.693 -10.771 -8.893 1.00 0.45 H new ATOM 0 HB3 GLN A 577 3.289 -10.321 -10.478 1.00 0.45 H new ATOM 0 HG2 GLN A 577 3.463 -8.573 -7.999 1.00 0.52 H new ATOM 0 HG3 GLN A 577 4.762 -9.579 -8.609 1.00 0.52 H new ATOM 0 HE21 GLN A 577 6.186 -7.883 -8.982 1.00 1.57 H new ATOM 0 HE22 GLN A 577 5.944 -6.714 -10.284 1.00 1.57 H new ATOM 1223 N GLU A 578 0.082 -11.127 -10.407 1.00 0.35 N ATOM 1224 CA GLU A 578 -0.687 -11.998 -11.286 1.00 0.38 C ATOM 1225 C GLU A 578 -2.105 -11.469 -11.477 1.00 0.33 C ATOM 1226 O GLU A 578 -2.653 -11.520 -12.579 1.00 0.36 O ATOM 1227 CB GLU A 578 -0.724 -13.415 -10.716 1.00 0.42 C ATOM 1228 CG GLU A 578 0.651 -14.046 -10.576 1.00 0.52 C ATOM 1229 CD GLU A 578 0.594 -15.431 -9.972 1.00 1.24 C ATOM 1230 OE1 GLU A 578 1.061 -15.607 -8.827 1.00 2.14 O ATOM 1231 OE2 GLU A 578 0.071 -16.350 -10.633 1.00 1.31 O ATOM 0 H GLU A 578 0.048 -11.382 -9.420 1.00 0.35 H new ATOM 0 HA GLU A 578 -0.199 -12.018 -12.261 1.00 0.38 H new ATOM 0 HB2 GLU A 578 -1.206 -13.393 -9.739 1.00 0.42 H new ATOM 0 HB3 GLU A 578 -1.339 -14.042 -11.361 1.00 0.42 H new ATOM 0 HG2 GLU A 578 1.124 -14.100 -11.557 1.00 0.52 H new ATOM 0 HG3 GLU A 578 1.279 -13.408 -9.954 1.00 0.52 H new ATOM 1238 N LYS A 579 -2.690 -10.946 -10.410 1.00 0.29 N ATOM 1239 CA LYS A 579 -4.011 -10.340 -10.466 1.00 0.28 C ATOM 1240 C LYS A 579 -3.972 -8.952 -9.835 1.00 0.25 C ATOM 1241 O LYS A 579 -4.127 -8.814 -8.622 1.00 0.24 O ATOM 1242 CB LYS A 579 -5.024 -11.210 -9.718 1.00 0.31 C ATOM 1243 CG LYS A 579 -5.272 -12.568 -10.357 1.00 0.42 C ATOM 1244 CD LYS A 579 -6.135 -13.456 -9.471 1.00 0.69 C ATOM 1245 CE LYS A 579 -7.484 -12.819 -9.163 1.00 1.69 C ATOM 1246 NZ LYS A 579 -8.293 -12.597 -10.390 1.00 2.46 N ATOM 0 H LYS A 579 -2.264 -10.930 -9.484 1.00 0.29 H new ATOM 0 HA LYS A 579 -4.313 -10.257 -11.510 1.00 0.28 H new ATOM 0 HB2 LYS A 579 -4.673 -11.360 -8.697 1.00 0.31 H new ATOM 0 HB3 LYS A 579 -5.970 -10.673 -9.654 1.00 0.31 H new ATOM 0 HG2 LYS A 579 -5.760 -12.433 -11.322 1.00 0.42 H new ATOM 0 HG3 LYS A 579 -4.318 -13.060 -10.548 1.00 0.42 H new ATOM 0 HD2 LYS A 579 -6.292 -14.416 -9.963 1.00 0.69 H new ATOM 0 HD3 LYS A 579 -5.608 -13.658 -8.538 1.00 0.69 H new ATOM 0 HE2 LYS A 579 -8.038 -13.459 -8.476 1.00 1.69 H new ATOM 0 HE3 LYS A 579 -7.327 -11.867 -8.656 1.00 1.69 H new ATOM 0 HZ1 LYS A 579 -9.240 -12.257 -10.125 1.00 2.46 H new ATOM 0 HZ2 LYS A 579 -7.826 -11.888 -10.990 1.00 2.46 H new ATOM 0 HZ3 LYS A 579 -8.380 -13.491 -10.915 1.00 2.46 H new ATOM 1260 N PRO A 580 -3.746 -7.908 -10.644 1.00 0.26 N ATOM 1261 CA PRO A 580 -3.678 -6.533 -10.146 1.00 0.25 C ATOM 1262 C PRO A 580 -5.041 -6.020 -9.697 1.00 0.22 C ATOM 1263 O PRO A 580 -6.082 -6.548 -10.100 1.00 0.22 O ATOM 1264 CB PRO A 580 -3.179 -5.739 -11.356 1.00 0.27 C ATOM 1265 CG PRO A 580 -3.600 -6.539 -12.536 1.00 0.37 C ATOM 1266 CD PRO A 580 -3.546 -7.979 -12.103 1.00 0.32 C ATOM 0 HA PRO A 580 -3.034 -6.445 -9.271 1.00 0.25 H new ATOM 0 HB2 PRO A 580 -3.614 -4.740 -11.380 1.00 0.27 H new ATOM 0 HB3 PRO A 580 -2.096 -5.615 -11.328 1.00 0.27 H new ATOM 0 HG2 PRO A 580 -4.606 -6.265 -12.854 1.00 0.37 H new ATOM 0 HG3 PRO A 580 -2.938 -6.362 -13.384 1.00 0.37 H new ATOM 0 HD2 PRO A 580 -4.322 -8.573 -12.586 1.00 0.32 H new ATOM 0 HD3 PRO A 580 -2.590 -8.438 -12.355 1.00 0.32 H new ATOM 1274 N ALA A 581 -5.036 -4.983 -8.873 1.00 0.22 N ATOM 1275 CA ALA A 581 -6.275 -4.403 -8.387 1.00 0.22 C ATOM 1276 C ALA A 581 -6.715 -3.287 -9.311 1.00 0.20 C ATOM 1277 O ALA A 581 -5.913 -2.448 -9.704 1.00 0.19 O ATOM 1278 CB ALA A 581 -6.095 -3.874 -6.974 1.00 0.27 C ATOM 0 H ALA A 581 -4.190 -4.528 -8.529 1.00 0.22 H new ATOM 0 HA ALA A 581 -7.043 -5.176 -8.370 1.00 0.22 H new ATOM 0 HB1 ALA A 581 -7.033 -3.443 -6.625 1.00 0.27 H new ATOM 0 HB2 ALA A 581 -5.803 -4.691 -6.314 1.00 0.27 H new ATOM 0 HB3 ALA A 581 -5.319 -3.108 -6.968 1.00 0.27 H new ATOM 1284 N ILE A 582 -7.981 -3.293 -9.680 1.00 0.23 N ATOM 1285 CA ILE A 582 -8.481 -2.332 -10.644 1.00 0.26 C ATOM 1286 C ILE A 582 -9.275 -1.228 -9.964 1.00 0.28 C ATOM 1287 O ILE A 582 -10.270 -1.487 -9.282 1.00 0.33 O ATOM 1288 CB ILE A 582 -9.359 -3.016 -11.710 1.00 0.35 C ATOM 1289 CG1 ILE A 582 -8.628 -4.235 -12.285 1.00 0.39 C ATOM 1290 CG2 ILE A 582 -9.709 -2.031 -12.819 1.00 0.39 C ATOM 1291 CD1 ILE A 582 -9.424 -5.002 -13.319 1.00 0.51 C ATOM 0 H ILE A 582 -8.679 -3.949 -9.329 1.00 0.23 H new ATOM 0 HA ILE A 582 -7.613 -1.890 -11.133 1.00 0.26 H new ATOM 0 HB ILE A 582 -10.286 -3.351 -11.244 1.00 0.35 H new ATOM 0 HG12 ILE A 582 -7.692 -3.905 -12.735 1.00 0.39 H new ATOM 0 HG13 ILE A 582 -8.369 -4.909 -11.468 1.00 0.39 H new ATOM 0 HG21 ILE A 582 -10.329 -2.528 -13.565 1.00 0.39 H new ATOM 0 HG22 ILE A 582 -10.255 -1.187 -12.397 1.00 0.39 H new ATOM 0 HG23 ILE A 582 -8.793 -1.672 -13.289 1.00 0.39 H new ATOM 0 HD11 ILE A 582 -8.837 -5.848 -13.676 1.00 0.51 H new ATOM 0 HD12 ILE A 582 -10.349 -5.365 -12.870 1.00 0.51 H new ATOM 0 HD13 ILE A 582 -9.660 -4.346 -14.157 1.00 0.51 H new ATOM 1303 N ILE A 583 -8.811 -0.003 -10.135 1.00 0.28 N ATOM 1304 CA ILE A 583 -9.515 1.171 -9.651 1.00 0.33 C ATOM 1305 C ILE A 583 -9.672 2.176 -10.781 1.00 0.36 C ATOM 1306 O ILE A 583 -8.678 2.675 -11.309 1.00 0.35 O ATOM 1307 CB ILE A 583 -8.780 1.844 -8.470 1.00 0.32 C ATOM 1308 CG1 ILE A 583 -8.816 0.953 -7.224 1.00 0.32 C ATOM 1309 CG2 ILE A 583 -9.388 3.203 -8.170 1.00 0.38 C ATOM 1310 CD1 ILE A 583 -10.203 0.775 -6.643 1.00 0.51 C ATOM 0 H ILE A 583 -7.935 0.206 -10.614 1.00 0.28 H new ATOM 0 HA ILE A 583 -10.492 0.843 -9.295 1.00 0.33 H new ATOM 0 HB ILE A 583 -7.738 1.986 -8.756 1.00 0.32 H new ATOM 0 HG12 ILE A 583 -8.409 -0.026 -7.476 1.00 0.32 H new ATOM 0 HG13 ILE A 583 -8.165 1.382 -6.462 1.00 0.32 H new ATOM 0 HG21 ILE A 583 -8.858 3.662 -7.336 1.00 0.38 H new ATOM 0 HG22 ILE A 583 -9.304 3.842 -9.049 1.00 0.38 H new ATOM 0 HG23 ILE A 583 -10.439 3.082 -7.909 1.00 0.38 H new ATOM 0 HD11 ILE A 583 -10.150 0.133 -5.764 1.00 0.51 H new ATOM 0 HD12 ILE A 583 -10.606 1.747 -6.358 1.00 0.51 H new ATOM 0 HD13 ILE A 583 -10.854 0.317 -7.388 1.00 0.51 H new ATOM 1322 N ASN A 584 -10.916 2.429 -11.179 1.00 0.41 N ATOM 1323 CA ASN A 584 -11.217 3.396 -12.238 1.00 0.47 C ATOM 1324 C ASN A 584 -10.522 3.000 -13.533 1.00 0.45 C ATOM 1325 O ASN A 584 -10.106 3.845 -14.327 1.00 0.50 O ATOM 1326 CB ASN A 584 -10.812 4.818 -11.826 1.00 0.55 C ATOM 1327 CG ASN A 584 -11.680 5.378 -10.712 1.00 0.62 C ATOM 1328 OD1 ASN A 584 -12.215 4.638 -9.885 1.00 1.10 O ATOM 1329 ND2 ASN A 584 -11.828 6.693 -10.683 1.00 0.91 N ATOM 0 H ASN A 584 -11.739 1.976 -10.782 1.00 0.41 H new ATOM 0 HA ASN A 584 -12.295 3.389 -12.401 1.00 0.47 H new ATOM 0 HB2 ASN A 584 -9.771 4.815 -11.503 1.00 0.55 H new ATOM 0 HB3 ASN A 584 -10.874 5.474 -12.694 1.00 0.55 H new ATOM 0 HD21 ASN A 584 -12.401 7.126 -9.959 1.00 0.91 H new ATOM 0 HD22 ASN A 584 -11.369 7.273 -11.385 1.00 0.91 H new ATOM 1336 N GLY A 585 -10.405 1.696 -13.731 1.00 0.42 N ATOM 1337 CA GLY A 585 -9.816 1.170 -14.941 1.00 0.44 C ATOM 1338 C GLY A 585 -8.301 1.079 -14.893 1.00 0.39 C ATOM 1339 O GLY A 585 -7.681 0.607 -15.846 1.00 0.42 O ATOM 0 H GLY A 585 -10.712 0.986 -13.066 1.00 0.42 H new ATOM 0 HA2 GLY A 585 -10.225 0.178 -15.132 1.00 0.44 H new ATOM 0 HA3 GLY A 585 -10.107 1.802 -15.780 1.00 0.44 H new ATOM 1343 N GLU A 586 -7.696 1.512 -13.795 1.00 0.35 N ATOM 1344 CA GLU A 586 -6.245 1.484 -13.683 1.00 0.32 C ATOM 1345 C GLU A 586 -5.786 0.343 -12.784 1.00 0.24 C ATOM 1346 O GLU A 586 -6.278 0.173 -11.665 1.00 0.26 O ATOM 1347 CB GLU A 586 -5.704 2.822 -13.175 1.00 0.43 C ATOM 1348 CG GLU A 586 -5.960 3.976 -14.132 1.00 0.57 C ATOM 1349 CD GLU A 586 -5.041 5.154 -13.888 1.00 0.91 C ATOM 1350 OE1 GLU A 586 -3.847 5.080 -14.245 1.00 0.90 O ATOM 1351 OE2 GLU A 586 -5.514 6.168 -13.325 1.00 1.79 O ATOM 0 H GLU A 586 -8.181 1.883 -12.978 1.00 0.35 H new ATOM 0 HA GLU A 586 -5.841 1.313 -14.681 1.00 0.32 H new ATOM 0 HB2 GLU A 586 -6.162 3.049 -12.212 1.00 0.43 H new ATOM 0 HB3 GLU A 586 -4.631 2.731 -13.005 1.00 0.43 H new ATOM 0 HG2 GLU A 586 -5.832 3.627 -15.157 1.00 0.57 H new ATOM 0 HG3 GLU A 586 -6.995 4.302 -14.033 1.00 0.57 H new ATOM 1358 N LYS A 587 -4.871 -0.460 -13.315 1.00 0.21 N ATOM 1359 CA LYS A 587 -4.302 -1.593 -12.595 1.00 0.19 C ATOM 1360 C LYS A 587 -3.274 -1.126 -11.569 1.00 0.17 C ATOM 1361 O LYS A 587 -2.248 -0.540 -11.922 1.00 0.22 O ATOM 1362 CB LYS A 587 -3.646 -2.558 -13.585 1.00 0.23 C ATOM 1363 CG LYS A 587 -4.484 -2.822 -14.828 1.00 0.33 C ATOM 1364 CD LYS A 587 -5.826 -3.450 -14.486 1.00 1.14 C ATOM 1365 CE LYS A 587 -6.708 -3.588 -15.719 1.00 1.10 C ATOM 1366 NZ LYS A 587 -6.077 -4.429 -16.772 1.00 1.67 N ATOM 0 H LYS A 587 -4.502 -0.343 -14.259 1.00 0.21 H new ATOM 0 HA LYS A 587 -5.106 -2.104 -12.066 1.00 0.19 H new ATOM 0 HB2 LYS A 587 -2.680 -2.153 -13.888 1.00 0.23 H new ATOM 0 HB3 LYS A 587 -3.451 -3.505 -13.081 1.00 0.23 H new ATOM 0 HG2 LYS A 587 -4.647 -1.885 -15.361 1.00 0.33 H new ATOM 0 HG3 LYS A 587 -3.936 -3.481 -15.502 1.00 0.33 H new ATOM 0 HD2 LYS A 587 -5.666 -4.432 -14.040 1.00 1.14 H new ATOM 0 HD3 LYS A 587 -6.335 -2.840 -13.740 1.00 1.14 H new ATOM 0 HE2 LYS A 587 -7.664 -4.025 -15.432 1.00 1.10 H new ATOM 0 HE3 LYS A 587 -6.919 -2.599 -16.125 1.00 1.10 H new ATOM 0 HZ1 LYS A 587 -6.769 -4.621 -17.524 1.00 1.67 H new ATOM 0 HZ2 LYS A 587 -5.260 -3.927 -17.174 1.00 1.67 H new ATOM 0 HZ3 LYS A 587 -5.761 -5.328 -16.355 1.00 1.67 H new ATOM 1380 N LEU A 588 -3.551 -1.401 -10.306 1.00 0.15 N ATOM 1381 CA LEU A 588 -2.699 -0.964 -9.211 1.00 0.15 C ATOM 1382 C LEU A 588 -1.508 -1.900 -9.036 1.00 0.17 C ATOM 1383 O LEU A 588 -1.642 -3.122 -9.139 1.00 0.21 O ATOM 1384 CB LEU A 588 -3.506 -0.913 -7.915 1.00 0.16 C ATOM 1385 CG LEU A 588 -4.821 -0.136 -8.002 1.00 0.18 C ATOM 1386 CD1 LEU A 588 -5.518 -0.116 -6.657 1.00 0.24 C ATOM 1387 CD2 LEU A 588 -4.584 1.274 -8.503 1.00 0.16 C ATOM 0 H LEU A 588 -4.370 -1.932 -10.010 1.00 0.15 H new ATOM 0 HA LEU A 588 -2.323 0.031 -9.449 1.00 0.15 H new ATOM 0 HB2 LEU A 588 -3.725 -1.933 -7.600 1.00 0.16 H new ATOM 0 HB3 LEU A 588 -2.888 -0.465 -7.137 1.00 0.16 H new ATOM 0 HG LEU A 588 -5.468 -0.644 -8.717 1.00 0.18 H new ATOM 0 HD11 LEU A 588 -6.451 0.441 -6.739 1.00 0.24 H new ATOM 0 HD12 LEU A 588 -5.732 -1.138 -6.343 1.00 0.24 H new ATOM 0 HD13 LEU A 588 -4.873 0.363 -5.920 1.00 0.24 H new ATOM 0 HD21 LEU A 588 -5.534 1.806 -8.556 1.00 0.16 H new ATOM 0 HD22 LEU A 588 -3.914 1.795 -7.819 1.00 0.16 H new ATOM 0 HD23 LEU A 588 -4.133 1.237 -9.495 1.00 0.16 H new ATOM 1399 N LEU A 589 -0.350 -1.318 -8.765 1.00 0.17 N ATOM 1400 CA LEU A 589 0.872 -2.088 -8.582 1.00 0.19 C ATOM 1401 C LEU A 589 1.362 -2.001 -7.138 1.00 0.18 C ATOM 1402 O LEU A 589 1.744 -0.926 -6.671 1.00 0.18 O ATOM 1403 CB LEU A 589 1.966 -1.595 -9.533 1.00 0.23 C ATOM 1404 CG LEU A 589 3.308 -2.316 -9.404 1.00 0.30 C ATOM 1405 CD1 LEU A 589 3.170 -3.775 -9.802 1.00 0.37 C ATOM 1406 CD2 LEU A 589 4.363 -1.635 -10.254 1.00 0.38 C ATOM 0 H LEU A 589 -0.230 -0.310 -8.666 1.00 0.17 H new ATOM 0 HA LEU A 589 0.647 -3.130 -8.810 1.00 0.19 H new ATOM 0 HB2 LEU A 589 1.611 -1.702 -10.558 1.00 0.23 H new ATOM 0 HB3 LEU A 589 2.124 -0.531 -9.360 1.00 0.23 H new ATOM 0 HG LEU A 589 3.622 -2.270 -8.361 1.00 0.30 H new ATOM 0 HD11 LEU A 589 4.135 -4.272 -9.704 1.00 0.37 H new ATOM 0 HD12 LEU A 589 2.443 -4.262 -9.152 1.00 0.37 H new ATOM 0 HD13 LEU A 589 2.832 -3.840 -10.836 1.00 0.37 H new ATOM 0 HD21 LEU A 589 5.311 -2.163 -10.149 1.00 0.38 H new ATOM 0 HD22 LEU A 589 4.053 -1.650 -11.299 1.00 0.38 H new ATOM 0 HD23 LEU A 589 4.484 -0.603 -9.926 1.00 0.38 H new ATOM 1418 N ILE A 590 1.331 -3.124 -6.431 1.00 0.18 N ATOM 1419 CA ILE A 590 1.871 -3.192 -5.077 1.00 0.18 C ATOM 1420 C ILE A 590 3.194 -3.954 -5.079 1.00 0.20 C ATOM 1421 O ILE A 590 3.238 -5.128 -5.445 1.00 0.26 O ATOM 1422 CB ILE A 590 0.884 -3.879 -4.102 1.00 0.19 C ATOM 1423 CG1 ILE A 590 -0.461 -3.139 -4.096 1.00 0.19 C ATOM 1424 CG2 ILE A 590 1.472 -3.941 -2.700 1.00 0.19 C ATOM 1425 CD1 ILE A 590 -1.437 -3.631 -3.043 1.00 0.21 C ATOM 0 H ILE A 590 0.938 -4.001 -6.772 1.00 0.18 H new ATOM 0 HA ILE A 590 2.032 -2.169 -4.735 1.00 0.18 H new ATOM 0 HB ILE A 590 0.713 -4.900 -4.443 1.00 0.19 H new ATOM 0 HG12 ILE A 590 -0.278 -2.076 -3.937 1.00 0.19 H new ATOM 0 HG13 ILE A 590 -0.923 -3.239 -5.078 1.00 0.19 H new ATOM 0 HG21 ILE A 590 0.763 -4.427 -2.029 1.00 0.19 H new ATOM 0 HG22 ILE A 590 2.402 -4.510 -2.720 1.00 0.19 H new ATOM 0 HG23 ILE A 590 1.673 -2.930 -2.345 1.00 0.19 H new ATOM 0 HD11 ILE A 590 -2.361 -3.056 -3.106 1.00 0.21 H new ATOM 0 HD12 ILE A 590 -1.653 -4.686 -3.212 1.00 0.21 H new ATOM 0 HD13 ILE A 590 -0.998 -3.505 -2.053 1.00 0.21 H new ATOM 1437 N ARG A 591 4.270 -3.280 -4.675 1.00 0.18 N ATOM 1438 CA ARG A 591 5.606 -3.878 -4.664 1.00 0.22 C ATOM 1439 C ARG A 591 6.420 -3.352 -3.486 1.00 0.18 C ATOM 1440 O ARG A 591 6.051 -2.364 -2.860 1.00 0.19 O ATOM 1441 CB ARG A 591 6.352 -3.591 -5.971 1.00 0.33 C ATOM 1442 CG ARG A 591 5.855 -4.403 -7.155 1.00 0.45 C ATOM 1443 CD ARG A 591 6.810 -4.306 -8.331 1.00 0.65 C ATOM 1444 NE ARG A 591 8.125 -4.868 -8.015 1.00 1.33 N ATOM 1445 CZ ARG A 591 9.233 -4.611 -8.709 1.00 1.69 C ATOM 1446 NH1 ARG A 591 9.187 -3.804 -9.760 1.00 1.56 N ATOM 1447 NH2 ARG A 591 10.384 -5.169 -8.354 1.00 2.62 N ATOM 0 H ARG A 591 4.243 -2.314 -4.349 1.00 0.18 H new ATOM 0 HA ARG A 591 5.482 -4.956 -4.563 1.00 0.22 H new ATOM 0 HB2 ARG A 591 6.259 -2.531 -6.206 1.00 0.33 H new ATOM 0 HB3 ARG A 591 7.413 -3.793 -5.824 1.00 0.33 H new ATOM 0 HG2 ARG A 591 5.742 -5.446 -6.861 1.00 0.45 H new ATOM 0 HG3 ARG A 591 4.869 -4.047 -7.454 1.00 0.45 H new ATOM 0 HD2 ARG A 591 6.387 -4.832 -9.187 1.00 0.65 H new ATOM 0 HD3 ARG A 591 6.922 -3.262 -8.622 1.00 0.65 H new ATOM 0 HE ARG A 591 8.197 -5.495 -7.214 1.00 1.33 H new ATOM 0 HH11 ARG A 591 8.303 -3.379 -10.038 1.00 1.56 H new ATOM 0 HH12 ARG A 591 10.036 -3.608 -10.290 1.00 1.56 H new ATOM 0 HH21 ARG A 591 10.421 -5.795 -7.549 1.00 2.62 H new ATOM 0 HH22 ARG A 591 11.232 -4.972 -8.886 1.00 2.62 H new ATOM 1461 N MET A 592 7.530 -4.015 -3.192 1.00 0.17 N ATOM 1462 CA MET A 592 8.361 -3.647 -2.052 1.00 0.18 C ATOM 1463 C MET A 592 9.295 -2.495 -2.412 1.00 0.21 C ATOM 1464 O MET A 592 9.822 -2.438 -3.525 1.00 0.29 O ATOM 1465 CB MET A 592 9.166 -4.851 -1.563 1.00 0.19 C ATOM 1466 CG MET A 592 8.307 -5.968 -0.994 1.00 0.22 C ATOM 1467 SD MET A 592 9.287 -7.264 -0.217 1.00 0.29 S ATOM 1468 CE MET A 592 8.001 -8.409 0.278 1.00 0.34 C ATOM 0 H MET A 592 7.877 -4.811 -3.727 1.00 0.17 H new ATOM 0 HA MET A 592 7.705 -3.318 -1.246 1.00 0.18 H new ATOM 0 HB2 MET A 592 9.756 -5.244 -2.391 1.00 0.19 H new ATOM 0 HB3 MET A 592 9.870 -4.521 -0.799 1.00 0.19 H new ATOM 0 HG2 MET A 592 7.614 -5.552 -0.262 1.00 0.22 H new ATOM 0 HG3 MET A 592 7.705 -6.402 -1.792 1.00 0.22 H new ATOM 0 HE1 MET A 592 8.443 -9.382 0.494 1.00 0.34 H new ATOM 0 HE2 MET A 592 7.501 -8.032 1.170 1.00 0.34 H new ATOM 0 HE3 MET A 592 7.275 -8.511 -0.528 1.00 0.34 H new ATOM 1478 N SER A 593 9.504 -1.583 -1.466 1.00 0.23 N ATOM 1479 CA SER A 593 10.288 -0.380 -1.722 1.00 0.26 C ATOM 1480 C SER A 593 11.778 -0.616 -1.505 1.00 0.25 C ATOM 1481 O SER A 593 12.195 -1.255 -0.538 1.00 0.27 O ATOM 1482 CB SER A 593 9.818 0.766 -0.830 1.00 0.34 C ATOM 1483 OG SER A 593 10.572 1.946 -1.066 1.00 1.37 O ATOM 0 H SER A 593 9.141 -1.655 -0.516 1.00 0.23 H new ATOM 0 HA SER A 593 10.135 -0.115 -2.768 1.00 0.26 H new ATOM 0 HB2 SER A 593 8.762 0.964 -1.014 1.00 0.34 H new ATOM 0 HB3 SER A 593 9.910 0.476 0.217 1.00 0.34 H new ATOM 0 HG SER A 593 10.248 2.663 -0.482 1.00 1.37 H new ATOM 1489 N THR A 594 12.562 -0.076 -2.422 1.00 0.27 N ATOM 1490 CA THR A 594 14.009 -0.184 -2.370 1.00 0.30 C ATOM 1491 C THR A 594 14.649 0.981 -1.612 1.00 0.31 C ATOM 1492 O THR A 594 15.826 0.922 -1.253 1.00 0.33 O ATOM 1493 CB THR A 594 14.599 -0.271 -3.788 1.00 0.35 C ATOM 1494 OG1 THR A 594 14.013 0.736 -4.629 1.00 0.38 O ATOM 1495 CG2 THR A 594 14.358 -1.647 -4.385 1.00 0.38 C ATOM 0 H THR A 594 12.213 0.450 -3.223 1.00 0.27 H new ATOM 0 HA THR A 594 14.238 -1.101 -1.826 1.00 0.30 H new ATOM 0 HB THR A 594 15.674 -0.103 -3.724 1.00 0.35 H new ATOM 0 HG1 THR A 594 14.396 0.674 -5.529 1.00 0.38 H new ATOM 0 HG21 THR A 594 14.783 -1.688 -5.388 1.00 0.38 H new ATOM 0 HG22 THR A 594 14.832 -2.403 -3.759 1.00 0.38 H new ATOM 0 HG23 THR A 594 13.286 -1.838 -4.437 1.00 0.38 H new ATOM 1503 N ARG A 595 13.872 2.029 -1.345 1.00 0.32 N ATOM 1504 CA ARG A 595 14.443 3.262 -0.806 1.00 0.37 C ATOM 1505 C ARG A 595 14.229 3.392 0.697 1.00 0.37 C ATOM 1506 O ARG A 595 15.060 3.966 1.399 1.00 0.41 O ATOM 1507 CB ARG A 595 13.831 4.476 -1.501 1.00 0.41 C ATOM 1508 CG ARG A 595 14.060 4.507 -2.997 1.00 0.46 C ATOM 1509 CD ARG A 595 13.511 5.783 -3.605 1.00 0.56 C ATOM 1510 NE ARG A 595 13.701 5.831 -5.051 1.00 1.36 N ATOM 1511 CZ ARG A 595 13.367 6.876 -5.802 1.00 1.67 C ATOM 1512 NH1 ARG A 595 12.863 7.968 -5.237 1.00 1.16 N ATOM 1513 NH2 ARG A 595 13.551 6.837 -7.113 1.00 2.75 N ATOM 0 H ARG A 595 12.863 2.051 -1.490 1.00 0.32 H new ATOM 0 HA ARG A 595 15.516 3.219 -0.993 1.00 0.37 H new ATOM 0 HB2 ARG A 595 12.758 4.491 -1.307 1.00 0.41 H new ATOM 0 HB3 ARG A 595 14.247 5.382 -1.061 1.00 0.41 H new ATOM 0 HG2 ARG A 595 15.127 4.430 -3.207 1.00 0.46 H new ATOM 0 HG3 ARG A 595 13.581 3.644 -3.460 1.00 0.46 H new ATOM 0 HD2 ARG A 595 12.448 5.864 -3.377 1.00 0.56 H new ATOM 0 HD3 ARG A 595 14.002 6.642 -3.147 1.00 0.56 H new ATOM 0 HE ARG A 595 14.112 5.019 -5.511 1.00 1.36 H new ATOM 0 HH11 ARG A 595 12.732 8.005 -4.226 1.00 1.16 H new ATOM 0 HH12 ARG A 595 12.607 8.769 -5.814 1.00 1.16 H new ATOM 0 HH21 ARG A 595 13.949 6.005 -7.548 1.00 2.75 H new ATOM 0 HH22 ARG A 595 13.294 7.639 -7.688 1.00 2.75 H new ATOM 1527 N TYR A 596 13.135 2.843 1.194 1.00 0.35 N ATOM 1528 CA TYR A 596 12.807 2.972 2.607 1.00 0.37 C ATOM 1529 C TYR A 596 12.755 1.621 3.294 1.00 0.35 C ATOM 1530 O TYR A 596 12.375 0.613 2.693 1.00 0.36 O ATOM 1531 CB TYR A 596 11.477 3.709 2.797 1.00 0.39 C ATOM 1532 CG TYR A 596 11.561 5.202 2.578 1.00 0.43 C ATOM 1533 CD1 TYR A 596 11.605 5.746 1.301 1.00 0.48 C ATOM 1534 CD2 TYR A 596 11.591 6.068 3.662 1.00 0.54 C ATOM 1535 CE1 TYR A 596 11.681 7.112 1.115 1.00 0.54 C ATOM 1536 CE2 TYR A 596 11.667 7.434 3.483 1.00 0.61 C ATOM 1537 CZ TYR A 596 11.711 7.951 2.209 1.00 0.56 C ATOM 1538 OH TYR A 596 11.785 9.313 2.028 1.00 0.65 O ATOM 0 H TYR A 596 12.462 2.307 0.647 1.00 0.35 H new ATOM 0 HA TYR A 596 13.602 3.557 3.069 1.00 0.37 H new ATOM 0 HB2 TYR A 596 10.742 3.293 2.108 1.00 0.39 H new ATOM 0 HB3 TYR A 596 11.111 3.521 3.806 1.00 0.39 H new ATOM 0 HD1 TYR A 596 11.579 5.092 0.442 1.00 0.48 H new ATOM 0 HD2 TYR A 596 11.554 5.666 4.664 1.00 0.54 H new ATOM 0 HE1 TYR A 596 11.717 7.522 0.116 1.00 0.54 H new ATOM 0 HE2 TYR A 596 11.692 8.093 4.338 1.00 0.61 H new ATOM 0 HH TYR A 596 11.796 9.759 2.901 1.00 0.65 H new ATOM 1548 N LYS A 597 13.186 1.606 4.546 1.00 0.38 N ATOM 1549 CA LYS A 597 13.130 0.412 5.370 1.00 0.41 C ATOM 1550 C LYS A 597 12.084 0.574 6.462 1.00 0.41 C ATOM 1551 O LYS A 597 11.751 -0.379 7.160 1.00 0.48 O ATOM 1552 CB LYS A 597 14.497 0.104 5.995 1.00 0.50 C ATOM 1553 CG LYS A 597 15.598 -0.152 4.973 1.00 0.62 C ATOM 1554 CD LYS A 597 16.091 1.141 4.336 1.00 1.29 C ATOM 1555 CE LYS A 597 16.879 0.879 3.067 1.00 1.67 C ATOM 1556 NZ LYS A 597 17.305 2.141 2.406 1.00 2.18 N ATOM 0 H LYS A 597 13.583 2.419 5.017 1.00 0.38 H new ATOM 0 HA LYS A 597 12.852 -0.425 4.729 1.00 0.41 H new ATOM 0 HB2 LYS A 597 14.792 0.939 6.631 1.00 0.50 H new ATOM 0 HB3 LYS A 597 14.403 -0.770 6.640 1.00 0.50 H new ATOM 0 HG2 LYS A 597 16.432 -0.660 5.457 1.00 0.62 H new ATOM 0 HG3 LYS A 597 15.225 -0.820 4.197 1.00 0.62 H new ATOM 0 HD2 LYS A 597 15.239 1.782 4.109 1.00 1.29 H new ATOM 0 HD3 LYS A 597 16.716 1.681 5.047 1.00 1.29 H new ATOM 0 HE2 LYS A 597 17.758 0.279 3.303 1.00 1.67 H new ATOM 0 HE3 LYS A 597 16.271 0.295 2.376 1.00 1.67 H new ATOM 0 HZ1 LYS A 597 17.897 1.918 1.581 1.00 2.18 H new ATOM 0 HZ2 LYS A 597 16.466 2.671 2.096 1.00 2.18 H new ATOM 0 HZ3 LYS A 597 17.850 2.718 3.078 1.00 2.18 H new ATOM 1570 N GLU A 598 11.571 1.791 6.612 1.00 0.38 N ATOM 1571 CA GLU A 598 10.568 2.066 7.623 1.00 0.41 C ATOM 1572 C GLU A 598 9.561 3.097 7.122 1.00 0.34 C ATOM 1573 O GLU A 598 9.892 3.960 6.306 1.00 0.33 O ATOM 1574 CB GLU A 598 11.241 2.574 8.903 1.00 0.55 C ATOM 1575 CG GLU A 598 10.261 3.000 9.984 1.00 0.62 C ATOM 1576 CD GLU A 598 10.948 3.549 11.212 1.00 0.80 C ATOM 1577 OE1 GLU A 598 11.169 2.777 12.166 1.00 0.95 O ATOM 1578 OE2 GLU A 598 11.275 4.752 11.234 1.00 0.91 O ATOM 0 H GLU A 598 11.835 2.597 6.046 1.00 0.38 H new ATOM 0 HA GLU A 598 10.035 1.140 7.839 1.00 0.41 H new ATOM 0 HB2 GLU A 598 11.886 1.790 9.299 1.00 0.55 H new ATOM 0 HB3 GLU A 598 11.883 3.419 8.654 1.00 0.55 H new ATOM 0 HG2 GLU A 598 9.588 3.757 9.581 1.00 0.62 H new ATOM 0 HG3 GLU A 598 9.646 2.146 10.268 1.00 0.62 H new ATOM 1585 N LEU A 599 8.338 2.991 7.620 1.00 0.36 N ATOM 1586 CA LEU A 599 7.300 3.968 7.330 1.00 0.32 C ATOM 1587 C LEU A 599 6.944 4.762 8.576 1.00 0.33 C ATOM 1588 O LEU A 599 6.542 4.200 9.596 1.00 0.37 O ATOM 1589 CB LEU A 599 6.055 3.291 6.755 1.00 0.33 C ATOM 1590 CG LEU A 599 6.266 2.609 5.402 1.00 0.37 C ATOM 1591 CD1 LEU A 599 4.951 2.116 4.830 1.00 0.45 C ATOM 1592 CD2 LEU A 599 6.937 3.557 4.425 1.00 0.33 C ATOM 0 H LEU A 599 8.039 2.232 8.232 1.00 0.36 H new ATOM 0 HA LEU A 599 7.690 4.657 6.581 1.00 0.32 H new ATOM 0 HB2 LEU A 599 5.699 2.549 7.469 1.00 0.33 H new ATOM 0 HB3 LEU A 599 5.267 4.037 6.652 1.00 0.33 H new ATOM 0 HG LEU A 599 6.916 1.748 5.560 1.00 0.37 H new ATOM 0 HD11 LEU A 599 5.130 1.635 3.868 1.00 0.45 H new ATOM 0 HD12 LEU A 599 4.502 1.398 5.516 1.00 0.45 H new ATOM 0 HD13 LEU A 599 4.274 2.960 4.694 1.00 0.45 H new ATOM 0 HD21 LEU A 599 7.079 3.054 3.469 1.00 0.33 H new ATOM 0 HD22 LEU A 599 6.310 4.437 4.283 1.00 0.33 H new ATOM 0 HD23 LEU A 599 7.906 3.862 4.821 1.00 0.33 H new ATOM 1604 N GLN A 600 7.104 6.071 8.484 1.00 0.36 N ATOM 1605 CA GLN A 600 6.809 6.962 9.593 1.00 0.44 C ATOM 1606 C GLN A 600 5.624 7.854 9.254 1.00 0.39 C ATOM 1607 O GLN A 600 5.655 8.586 8.266 1.00 0.43 O ATOM 1608 CB GLN A 600 8.038 7.811 9.927 1.00 0.59 C ATOM 1609 CG GLN A 600 7.821 8.792 11.067 1.00 0.85 C ATOM 1610 CD GLN A 600 9.035 9.667 11.315 1.00 1.10 C ATOM 1611 OE1 GLN A 600 9.913 9.328 12.107 1.00 1.52 O ATOM 1612 NE2 GLN A 600 9.092 10.804 10.638 1.00 1.34 N ATOM 0 H GLN A 600 7.440 6.544 7.645 1.00 0.36 H new ATOM 0 HA GLN A 600 6.551 6.362 10.466 1.00 0.44 H new ATOM 0 HB2 GLN A 600 8.865 7.149 10.184 1.00 0.59 H new ATOM 0 HB3 GLN A 600 8.337 8.365 9.037 1.00 0.59 H new ATOM 0 HG2 GLN A 600 6.962 9.423 10.841 1.00 0.85 H new ATOM 0 HG3 GLN A 600 7.582 8.241 11.976 1.00 0.85 H new ATOM 0 HE21 GLN A 600 8.344 11.050 9.990 1.00 1.34 H new ATOM 0 HE22 GLN A 600 9.884 11.434 10.765 1.00 1.34 H new ATOM 1621 N LEU A 601 4.584 7.787 10.071 1.00 0.37 N ATOM 1622 CA LEU A 601 3.386 8.580 9.840 1.00 0.34 C ATOM 1623 C LEU A 601 3.611 10.042 10.211 1.00 0.39 C ATOM 1624 O LEU A 601 3.399 10.444 11.357 1.00 0.46 O ATOM 1625 CB LEU A 601 2.199 8.026 10.636 1.00 0.36 C ATOM 1626 CG LEU A 601 1.702 6.640 10.218 1.00 0.34 C ATOM 1627 CD1 LEU A 601 0.518 6.224 11.076 1.00 0.46 C ATOM 1628 CD2 LEU A 601 1.318 6.625 8.747 1.00 0.32 C ATOM 0 H LEU A 601 4.545 7.193 10.899 1.00 0.37 H new ATOM 0 HA LEU A 601 3.159 8.520 8.776 1.00 0.34 H new ATOM 0 HB2 LEU A 601 2.479 7.988 11.689 1.00 0.36 H new ATOM 0 HB3 LEU A 601 1.370 8.729 10.551 1.00 0.36 H new ATOM 0 HG LEU A 601 2.513 5.927 10.367 1.00 0.34 H new ATOM 0 HD11 LEU A 601 0.175 5.236 10.768 1.00 0.46 H new ATOM 0 HD12 LEU A 601 0.820 6.193 12.123 1.00 0.46 H new ATOM 0 HD13 LEU A 601 -0.291 6.944 10.953 1.00 0.46 H new ATOM 0 HD21 LEU A 601 0.968 5.630 8.473 1.00 0.32 H new ATOM 0 HD22 LEU A 601 0.524 7.351 8.571 1.00 0.32 H new ATOM 0 HD23 LEU A 601 2.187 6.884 8.142 1.00 0.32 H new ATOM 1640 N LYS A 602 4.059 10.832 9.242 1.00 0.41 N ATOM 1641 CA LYS A 602 4.145 12.277 9.413 1.00 0.48 C ATOM 1642 C LYS A 602 2.741 12.837 9.575 1.00 0.46 C ATOM 1643 O LYS A 602 2.507 13.780 10.327 1.00 0.51 O ATOM 1644 CB LYS A 602 4.820 12.917 8.199 1.00 0.59 C ATOM 1645 CG LYS A 602 6.234 12.421 7.950 1.00 0.69 C ATOM 1646 CD LYS A 602 6.815 13.038 6.691 1.00 0.93 C ATOM 1647 CE LYS A 602 8.203 12.499 6.383 1.00 1.49 C ATOM 1648 NZ LYS A 602 8.736 13.062 5.116 1.00 1.73 N ATOM 0 H LYS A 602 4.368 10.496 8.330 1.00 0.41 H new ATOM 0 HA LYS A 602 4.740 12.502 10.298 1.00 0.48 H new ATOM 0 HB2 LYS A 602 4.215 12.721 7.314 1.00 0.59 H new ATOM 0 HB3 LYS A 602 4.843 13.998 8.336 1.00 0.59 H new ATOM 0 HG2 LYS A 602 6.865 12.667 8.804 1.00 0.69 H new ATOM 0 HG3 LYS A 602 6.231 11.335 7.859 1.00 0.69 H new ATOM 0 HD2 LYS A 602 6.153 12.837 5.849 1.00 0.93 H new ATOM 0 HD3 LYS A 602 6.864 14.121 6.807 1.00 0.93 H new ATOM 0 HE2 LYS A 602 8.879 12.741 7.203 1.00 1.49 H new ATOM 0 HE3 LYS A 602 8.165 11.412 6.312 1.00 1.49 H new ATOM 0 HZ1 LYS A 602 9.684 12.674 4.935 1.00 1.73 H new ATOM 0 HZ2 LYS A 602 8.103 12.809 4.330 1.00 1.73 H new ATOM 0 HZ3 LYS A 602 8.795 14.097 5.194 1.00 1.73 H new ATOM 1662 N LYS A 603 1.812 12.223 8.863 1.00 0.44 N ATOM 1663 CA LYS A 603 0.403 12.532 8.991 1.00 0.48 C ATOM 1664 C LYS A 603 -0.322 11.285 9.477 1.00 0.54 C ATOM 1665 O LYS A 603 -0.198 10.219 8.874 1.00 0.62 O ATOM 1666 CB LYS A 603 -0.173 13.004 7.649 1.00 0.58 C ATOM 1667 CG LYS A 603 0.442 14.301 7.140 1.00 0.65 C ATOM 1668 CD LYS A 603 0.184 15.455 8.097 1.00 0.79 C ATOM 1669 CE LYS A 603 0.823 16.747 7.608 1.00 0.90 C ATOM 1670 NZ LYS A 603 0.603 17.872 8.557 1.00 1.69 N ATOM 0 H LYS A 603 2.017 11.495 8.179 1.00 0.44 H new ATOM 0 HA LYS A 603 0.268 13.341 9.709 1.00 0.48 H new ATOM 0 HB2 LYS A 603 -0.021 12.223 6.904 1.00 0.58 H new ATOM 0 HB3 LYS A 603 -1.250 13.139 7.753 1.00 0.58 H new ATOM 0 HG2 LYS A 603 1.516 14.169 7.009 1.00 0.65 H new ATOM 0 HG3 LYS A 603 0.029 14.541 6.160 1.00 0.65 H new ATOM 0 HD2 LYS A 603 -0.890 15.601 8.210 1.00 0.79 H new ATOM 0 HD3 LYS A 603 0.577 15.205 9.082 1.00 0.79 H new ATOM 0 HE2 LYS A 603 1.893 16.593 7.471 1.00 0.90 H new ATOM 0 HE3 LYS A 603 0.411 17.009 6.633 1.00 0.90 H new ATOM 0 HZ1 LYS A 603 1.054 18.732 8.186 1.00 1.69 H new ATOM 0 HZ2 LYS A 603 -0.418 18.037 8.669 1.00 1.69 H new ATOM 0 HZ3 LYS A 603 1.019 17.634 9.480 1.00 1.69 H new ATOM 1727 N ASN A 607 -8.666 4.720 12.528 1.00 0.65 N ATOM 1728 CA ASN A 607 -8.706 3.302 12.877 1.00 0.48 C ATOM 1729 C ASN A 607 -8.803 2.422 11.634 1.00 0.43 C ATOM 1730 O ASN A 607 -9.729 2.550 10.831 1.00 0.60 O ATOM 1731 CB ASN A 607 -9.901 3.031 13.799 1.00 0.59 C ATOM 1732 CG ASN A 607 -10.064 1.564 14.151 1.00 0.79 C ATOM 1733 OD1 ASN A 607 -9.092 0.808 14.204 1.00 1.28 O ATOM 1734 ND2 ASN A 607 -11.299 1.150 14.393 1.00 1.33 N ATOM 0 HA ASN A 607 -7.778 3.055 13.392 1.00 0.48 H new ATOM 0 HB2 ASN A 607 -9.782 3.607 14.717 1.00 0.59 H new ATOM 0 HB3 ASN A 607 -10.812 3.386 13.316 1.00 0.59 H new ATOM 0 HD21 ASN A 607 -11.472 0.174 14.634 1.00 1.33 H new ATOM 0 HD22 ASN A 607 -12.077 1.807 14.339 1.00 1.33 H new ATOM 1741 N VAL A 608 -7.846 1.518 11.496 1.00 0.30 N ATOM 1742 CA VAL A 608 -7.774 0.645 10.338 1.00 0.22 C ATOM 1743 C VAL A 608 -8.649 -0.599 10.535 1.00 0.21 C ATOM 1744 O VAL A 608 -9.041 -1.258 9.574 1.00 0.21 O ATOM 1745 CB VAL A 608 -6.308 0.239 10.057 1.00 0.19 C ATOM 1746 CG1 VAL A 608 -6.198 -0.603 8.804 1.00 0.19 C ATOM 1747 CG2 VAL A 608 -5.424 1.473 9.944 1.00 0.27 C ATOM 0 H VAL A 608 -7.103 1.370 12.179 1.00 0.30 H new ATOM 0 HA VAL A 608 -8.154 1.192 9.475 1.00 0.22 H new ATOM 0 HB VAL A 608 -5.965 -0.364 10.898 1.00 0.19 H new ATOM 0 HG11 VAL A 608 -5.155 -0.871 8.636 1.00 0.19 H new ATOM 0 HG12 VAL A 608 -6.791 -1.510 8.922 1.00 0.19 H new ATOM 0 HG13 VAL A 608 -6.569 -0.035 7.951 1.00 0.19 H new ATOM 0 HG21 VAL A 608 -4.396 1.168 9.746 1.00 0.27 H new ATOM 0 HG22 VAL A 608 -5.779 2.102 9.127 1.00 0.27 H new ATOM 0 HG23 VAL A 608 -5.462 2.035 10.877 1.00 0.27 H new ATOM 1757 N ALA A 609 -8.973 -0.908 11.787 1.00 0.28 N ATOM 1758 CA ALA A 609 -9.845 -2.044 12.092 1.00 0.33 C ATOM 1759 C ALA A 609 -11.248 -1.815 11.526 1.00 0.32 C ATOM 1760 O ALA A 609 -11.919 -2.746 11.063 1.00 0.32 O ATOM 1761 CB ALA A 609 -9.906 -2.282 13.593 1.00 0.44 C ATOM 0 H ALA A 609 -8.648 -0.392 12.605 1.00 0.28 H new ATOM 0 HA ALA A 609 -9.427 -2.933 11.620 1.00 0.33 H new ATOM 0 HB1 ALA A 609 -10.559 -3.130 13.801 1.00 0.44 H new ATOM 0 HB2 ALA A 609 -8.905 -2.494 13.969 1.00 0.44 H new ATOM 0 HB3 ALA A 609 -10.298 -1.393 14.087 1.00 0.44 H new ATOM 1767 N ALA A 610 -11.674 -0.559 11.543 1.00 0.33 N ATOM 1768 CA ALA A 610 -12.964 -0.185 10.986 1.00 0.35 C ATOM 1769 C ALA A 610 -12.974 -0.425 9.482 1.00 0.30 C ATOM 1770 O ALA A 610 -14.021 -0.681 8.887 1.00 0.31 O ATOM 1771 CB ALA A 610 -13.274 1.270 11.296 1.00 0.40 C ATOM 0 H ALA A 610 -11.143 0.218 11.937 1.00 0.33 H new ATOM 0 HA ALA A 610 -13.736 -0.804 11.443 1.00 0.35 H new ATOM 0 HB1 ALA A 610 -14.243 1.534 10.872 1.00 0.40 H new ATOM 0 HB2 ALA A 610 -13.299 1.415 12.376 1.00 0.40 H new ATOM 0 HB3 ALA A 610 -12.503 1.907 10.862 1.00 0.40 H new ATOM 1777 N ILE A 611 -11.795 -0.349 8.879 1.00 0.25 N ATOM 1778 CA ILE A 611 -11.646 -0.598 7.457 1.00 0.23 C ATOM 1779 C ILE A 611 -11.822 -2.094 7.171 1.00 0.22 C ATOM 1780 O ILE A 611 -12.274 -2.483 6.094 1.00 0.23 O ATOM 1781 CB ILE A 611 -10.279 -0.095 6.935 1.00 0.20 C ATOM 1782 CG1 ILE A 611 -10.153 1.408 7.193 1.00 0.24 C ATOM 1783 CG2 ILE A 611 -10.133 -0.380 5.446 1.00 0.22 C ATOM 1784 CD1 ILE A 611 -8.812 1.982 6.801 1.00 0.23 C ATOM 0 H ILE A 611 -10.925 -0.115 9.358 1.00 0.25 H new ATOM 0 HA ILE A 611 -12.419 -0.042 6.928 1.00 0.23 H new ATOM 0 HB ILE A 611 -9.486 -0.623 7.465 1.00 0.20 H new ATOM 0 HG12 ILE A 611 -10.936 1.929 6.642 1.00 0.24 H new ATOM 0 HG13 ILE A 611 -10.325 1.601 8.252 1.00 0.24 H new ATOM 0 HG21 ILE A 611 -9.165 -0.018 5.100 1.00 0.22 H new ATOM 0 HG22 ILE A 611 -10.202 -1.454 5.273 1.00 0.22 H new ATOM 0 HG23 ILE A 611 -10.927 0.128 4.899 1.00 0.22 H new ATOM 0 HD11 ILE A 611 -8.798 3.051 7.013 1.00 0.23 H new ATOM 0 HD12 ILE A 611 -8.024 1.489 7.371 1.00 0.23 H new ATOM 0 HD13 ILE A 611 -8.645 1.821 5.736 1.00 0.23 H new ATOM 1796 N ILE A 612 -11.471 -2.935 8.149 1.00 0.22 N ATOM 1797 CA ILE A 612 -11.733 -4.370 8.052 1.00 0.24 C ATOM 1798 C ILE A 612 -13.230 -4.607 7.932 1.00 0.27 C ATOM 1799 O ILE A 612 -13.684 -5.395 7.098 1.00 0.28 O ATOM 1800 CB ILE A 612 -11.217 -5.146 9.287 1.00 0.26 C ATOM 1801 CG1 ILE A 612 -9.733 -4.866 9.534 1.00 0.26 C ATOM 1802 CG2 ILE A 612 -11.447 -6.643 9.103 1.00 0.31 C ATOM 1803 CD1 ILE A 612 -9.199 -5.484 10.809 1.00 0.31 C ATOM 0 H ILE A 612 -11.008 -2.647 9.011 1.00 0.22 H new ATOM 0 HA ILE A 612 -11.204 -4.733 7.171 1.00 0.24 H new ATOM 0 HB ILE A 612 -11.776 -4.805 10.159 1.00 0.26 H new ATOM 0 HG12 ILE A 612 -9.156 -5.243 8.689 1.00 0.26 H new ATOM 0 HG13 ILE A 612 -9.577 -3.788 9.571 1.00 0.26 H new ATOM 0 HG21 ILE A 612 -11.080 -7.178 9.979 1.00 0.31 H new ATOM 0 HG22 ILE A 612 -12.513 -6.835 8.981 1.00 0.31 H new ATOM 0 HG23 ILE A 612 -10.913 -6.987 8.217 1.00 0.31 H new ATOM 0 HD11 ILE A 612 -8.141 -5.242 10.915 1.00 0.31 H new ATOM 0 HD12 ILE A 612 -9.749 -5.089 11.663 1.00 0.31 H new ATOM 0 HD13 ILE A 612 -9.321 -6.566 10.768 1.00 0.31 H new ATOM 1815 N GLN A 613 -13.998 -3.896 8.751 1.00 0.31 N ATOM 1816 CA GLN A 613 -15.454 -3.982 8.684 1.00 0.35 C ATOM 1817 C GLN A 613 -15.947 -3.405 7.360 1.00 0.34 C ATOM 1818 O GLN A 613 -16.951 -3.849 6.802 1.00 0.37 O ATOM 1819 CB GLN A 613 -16.096 -3.233 9.853 1.00 0.41 C ATOM 1820 CG GLN A 613 -15.698 -3.768 11.218 1.00 0.49 C ATOM 1821 CD GLN A 613 -15.922 -5.260 11.345 1.00 1.37 C ATOM 1822 OE1 GLN A 613 -17.008 -5.709 11.705 1.00 1.97 O ATOM 1823 NE2 GLN A 613 -14.890 -6.038 11.063 1.00 2.31 N ATOM 0 H GLN A 613 -13.641 -3.259 9.463 1.00 0.31 H new ATOM 0 HA GLN A 613 -15.742 -5.031 8.749 1.00 0.35 H new ATOM 0 HB2 GLN A 613 -15.822 -2.180 9.792 1.00 0.41 H new ATOM 0 HB3 GLN A 613 -17.180 -3.286 9.755 1.00 0.41 H new ATOM 0 HG2 GLN A 613 -14.647 -3.545 11.399 1.00 0.49 H new ATOM 0 HG3 GLN A 613 -16.271 -3.251 11.988 1.00 0.49 H new ATOM 0 HE21 GLN A 613 -14.006 -5.625 10.767 1.00 2.31 H new ATOM 0 HE22 GLN A 613 -14.979 -7.051 11.141 1.00 2.31 H new ATOM 1832 N ASP A 614 -15.198 -2.435 6.859 1.00 0.33 N ATOM 1833 CA ASP A 614 -15.525 -1.760 5.610 1.00 0.33 C ATOM 1834 C ASP A 614 -15.417 -2.724 4.431 1.00 0.30 C ATOM 1835 O ASP A 614 -16.242 -2.695 3.517 1.00 0.34 O ATOM 1836 CB ASP A 614 -14.603 -0.559 5.400 1.00 0.36 C ATOM 1837 CG ASP A 614 -14.959 0.234 4.165 1.00 0.95 C ATOM 1838 OD1 ASP A 614 -14.224 0.130 3.158 1.00 1.95 O ATOM 1839 OD2 ASP A 614 -15.970 0.957 4.191 1.00 1.09 O ATOM 0 H ASP A 614 -14.347 -2.093 7.305 1.00 0.33 H new ATOM 0 HA ASP A 614 -16.554 -1.406 5.670 1.00 0.33 H new ATOM 0 HB2 ASP A 614 -14.654 0.092 6.273 1.00 0.36 H new ATOM 0 HB3 ASP A 614 -13.573 -0.905 5.321 1.00 0.36 H new ATOM 1844 N ILE A 615 -14.402 -3.581 4.465 1.00 0.26 N ATOM 1845 CA ILE A 615 -14.219 -4.607 3.445 1.00 0.27 C ATOM 1846 C ILE A 615 -15.365 -5.607 3.486 1.00 0.32 C ATOM 1847 O ILE A 615 -15.894 -5.998 2.454 1.00 0.35 O ATOM 1848 CB ILE A 615 -12.890 -5.354 3.652 1.00 0.24 C ATOM 1849 CG1 ILE A 615 -11.731 -4.369 3.555 1.00 0.20 C ATOM 1850 CG2 ILE A 615 -12.730 -6.473 2.629 1.00 0.29 C ATOM 1851 CD1 ILE A 615 -10.406 -4.947 3.975 1.00 0.18 C ATOM 0 H ILE A 615 -13.689 -3.585 5.194 1.00 0.26 H new ATOM 0 HA ILE A 615 -14.202 -4.112 2.474 1.00 0.27 H new ATOM 0 HB ILE A 615 -12.892 -5.808 4.643 1.00 0.24 H new ATOM 0 HG12 ILE A 615 -11.653 -4.014 2.527 1.00 0.20 H new ATOM 0 HG13 ILE A 615 -11.951 -3.501 4.176 1.00 0.20 H new ATOM 0 HG21 ILE A 615 -11.783 -6.986 2.796 1.00 0.29 H new ATOM 0 HG22 ILE A 615 -13.551 -7.183 2.735 1.00 0.29 H new ATOM 0 HG23 ILE A 615 -12.742 -6.052 1.624 1.00 0.29 H new ATOM 0 HD11 ILE A 615 -9.631 -4.187 3.879 1.00 0.18 H new ATOM 0 HD12 ILE A 615 -10.465 -5.276 5.013 1.00 0.18 H new ATOM 0 HD13 ILE A 615 -10.162 -5.797 3.338 1.00 0.18 H new ATOM 1863 N HIS A 616 -15.751 -6.003 4.689 1.00 0.37 N ATOM 1864 CA HIS A 616 -16.855 -6.943 4.868 1.00 0.46 C ATOM 1865 C HIS A 616 -18.184 -6.328 4.429 1.00 0.44 C ATOM 1866 O HIS A 616 -19.109 -7.044 4.040 1.00 0.46 O ATOM 1867 CB HIS A 616 -16.943 -7.414 6.323 1.00 0.59 C ATOM 1868 CG HIS A 616 -15.914 -8.444 6.680 1.00 0.70 C ATOM 1869 ND1 HIS A 616 -14.567 -8.360 6.775 1.00 1.26 N flip ATOM 1870 CD2 HIS A 616 -16.234 -9.748 6.991 1.00 0.76 C flip ATOM 1871 CE1 HIS A 616 -14.104 -9.598 7.135 1.00 1.24 C flip ATOM 1872 NE2 HIS A 616 -15.130 -10.418 7.260 1.00 0.82 N flip ATOM 0 H HIS A 616 -15.318 -5.690 5.558 1.00 0.37 H new ATOM 0 HA HIS A 616 -16.655 -7.808 4.235 1.00 0.46 H new ATOM 0 HB2 HIS A 616 -16.829 -6.554 6.983 1.00 0.59 H new ATOM 0 HB3 HIS A 616 -17.936 -7.825 6.504 1.00 0.59 H new ATOM 0 HD1 HIS A 616 -14.001 -7.528 6.609 1.00 1.26 H new ATOM 0 HD2 HIS A 616 -17.233 -10.158 7.011 1.00 0.76 H new ATOM 0 HE1 HIS A 616 -13.068 -9.860 7.291 1.00 1.24 H new ATOM 1881 N SER A 617 -18.275 -5.004 4.503 1.00 0.45 N ATOM 1882 CA SER A 617 -19.447 -4.286 4.024 1.00 0.51 C ATOM 1883 C SER A 617 -19.459 -4.270 2.496 1.00 0.49 C ATOM 1884 O SER A 617 -20.518 -4.266 1.866 1.00 0.57 O ATOM 1885 CB SER A 617 -19.459 -2.855 4.579 1.00 0.58 C ATOM 1886 OG SER A 617 -20.600 -2.133 4.135 1.00 1.18 O ATOM 0 H SER A 617 -17.546 -4.406 4.892 1.00 0.45 H new ATOM 0 HA SER A 617 -20.344 -4.797 4.375 1.00 0.51 H new ATOM 0 HB2 SER A 617 -19.448 -2.886 5.669 1.00 0.58 H new ATOM 0 HB3 SER A 617 -18.554 -2.335 4.266 1.00 0.58 H new ATOM 0 HG SER A 617 -20.579 -1.227 4.507 1.00 1.18 H new