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 575 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 579 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 553 MET CE :methyl -118:sc= -0.422 (180deg=-0.0879) USER MOD Set 2.2: A 556 THR OG1 : rot 14:sc= -0.203 USER MOD Set 3.1: A 535 ASN : amide:sc= -0.789! C(o=-3.1!,f=-6!) USER MOD Set 3.2: A 539 ASN :FLIP amide:sc= -2.35 F(o=-4.1,f=-3.1) USER MOD Set 4.1: A 531 SER OG : rot -127:sc= 1.24 USER MOD Set 4.2: A 584 ASN : amide:sc= -1.29! K(o=-0.047!,f=-2.1) USER MOD Set 5.1: A 523 HIS : no HE2:sc= -1.52 K(o=-0.88,f=-4.2!) USER MOD Set 5.2: A 558 GLN :FLIP amide:sc= 0.631 F(o=-2.4,f=-0.88) USER MOD Single : A 525 CYS SG : rot -21:sc= 0.028 USER MOD Single : A 526 ASN : amide:sc=-0.00529 K(o=-0.0053,f=-0.91) USER MOD Single : A 532 CYS SG : rot 19:sc= -0.0696 USER MOD Single : A 533 THR OG1 : rot 178:sc= 0.908 USER MOD Single : A 546 LYS NZ :NH3+ 151:sc= 1.2 (180deg=1.09) USER MOD Single : A 548 THR OG1 : rot 114:sc= 1.29 USER MOD Single : A 549 ASN : amide:sc= -0.713 K(o=-0.71,f=-3.3!) USER MOD Single : A 550 TYR OH : rot 180:sc= 0 USER MOD Single : A 554 LYS NZ :NH3+ 160:sc= -0.0911 (180deg=-0.399) USER MOD Single : A 555 SER OG : rot 180:sc= 0 USER MOD Single : A 557 ASN : amide:sc= -0.0502 K(o=-0.05,f=-1.7) USER MOD Single : A 563 MET CE :methyl -174:sc= -5.15! (180deg=-5.81!) 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= -0.704 F(o=-2.6!,f=-0.7) USER MOD Single : A 572 MET CE :methyl 174:sc= -3.65! (180deg=-3.79!) USER MOD Single : A 574 GLN :FLIP amide:sc=-0.00518 F(o=-1.1,f=-0.0052) USER MOD Single : A 576 TYR OH : rot -158:sc= -0.0467 USER MOD Single : A 577 GLN : amide:sc= -1.72! C(o=-1.7!,f=-6.2!) USER MOD Single : A 587 LYS NZ :NH3+ -172:sc=-0.00619 (180deg=-0.173) USER MOD Single : A 592 MET CE :methyl -126:sc= 0 (180deg=-1.08) USER MOD Single : A 593 SER OG : rot 180:sc= 0.046 USER MOD Single : A 594 THR OG1 : rot 180:sc= 0.0153 USER MOD Single : A 596 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00226) 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+ 169:sc= -0.0292 (180deg=-0.173) USER MOD Single : A 607 ASN : amide:sc= -1.34! K(o=-1.3!,f=-2) USER MOD Single : A 613 GLN : amide:sc= -0.0419 X(o=-0.042,f=-0.044) USER MOD Single : A 616 HIS : no HD1:sc= -0.0315 X(o=-0.031,f=0) USER MOD Single : A 617 SER OG : rot -101:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 321 N ARG A 520 9.625 -2.150 7.650 1.00 0.46 N ATOM 322 CA ARG A 520 9.278 -2.504 6.288 1.00 0.40 C ATOM 323 C ARG A 520 8.510 -1.390 5.606 1.00 0.34 C ATOM 324 O ARG A 520 7.617 -0.777 6.192 1.00 0.36 O ATOM 325 CB ARG A 520 8.424 -3.769 6.243 1.00 0.44 C ATOM 326 CG ARG A 520 8.964 -4.931 7.055 1.00 0.56 C ATOM 327 CD ARG A 520 8.211 -6.206 6.728 1.00 0.64 C ATOM 328 NE ARG A 520 6.772 -5.973 6.655 1.00 0.93 N ATOM 329 CZ ARG A 520 6.038 -6.185 5.569 1.00 1.70 C ATOM 330 NH1 ARG A 520 6.594 -6.693 4.475 1.00 2.13 N ATOM 331 NH2 ARG A 520 4.744 -5.903 5.585 1.00 2.22 N ATOM 0 HA ARG A 520 10.219 -2.676 5.765 1.00 0.40 H new ATOM 0 HB2 ARG A 520 7.423 -3.528 6.601 1.00 0.44 H new ATOM 0 HB3 ARG A 520 8.323 -4.085 5.205 1.00 0.44 H new ATOM 0 HG2 ARG A 520 10.025 -5.065 6.846 1.00 0.56 H new ATOM 0 HG3 ARG A 520 8.874 -4.711 8.119 1.00 0.56 H new ATOM 0 HD2 ARG A 520 8.565 -6.605 5.777 1.00 0.64 H new ATOM 0 HD3 ARG A 520 8.421 -6.959 7.488 1.00 0.64 H new ATOM 0 HE ARG A 520 6.301 -5.626 7.490 1.00 0.93 H new ATOM 0 HH11 ARG A 520 7.588 -6.922 4.467 1.00 2.13 H new ATOM 0 HH12 ARG A 520 6.027 -6.854 3.643 1.00 2.13 H new ATOM 0 HH21 ARG A 520 4.315 -5.524 6.429 1.00 2.22 H new ATOM 0 HH22 ARG A 520 4.177 -6.064 4.753 1.00 2.22 H new ATOM 345 N VAL A 521 8.877 -1.137 4.367 1.00 0.29 N ATOM 346 CA VAL A 521 8.103 -0.266 3.505 1.00 0.24 C ATOM 347 C VAL A 521 7.555 -1.048 2.322 1.00 0.21 C ATOM 348 O VAL A 521 8.315 -1.682 1.580 1.00 0.23 O ATOM 349 CB VAL A 521 8.899 0.946 2.997 1.00 0.26 C ATOM 350 CG1 VAL A 521 8.036 1.804 2.091 1.00 0.27 C ATOM 351 CG2 VAL A 521 9.428 1.761 4.156 1.00 0.32 C ATOM 0 H VAL A 521 9.713 -1.525 3.931 1.00 0.29 H new ATOM 0 HA VAL A 521 7.285 0.120 4.113 1.00 0.24 H new ATOM 0 HB VAL A 521 9.749 0.582 2.420 1.00 0.26 H new ATOM 0 HG11 VAL A 521 8.615 2.658 1.740 1.00 0.27 H new ATOM 0 HG12 VAL A 521 7.706 1.213 1.237 1.00 0.27 H new ATOM 0 HG13 VAL A 521 7.167 2.158 2.645 1.00 0.27 H new ATOM 0 HG21 VAL A 521 9.989 2.614 3.775 1.00 0.32 H new ATOM 0 HG22 VAL A 521 8.594 2.116 4.762 1.00 0.32 H new ATOM 0 HG23 VAL A 521 10.083 1.141 4.768 1.00 0.32 H new ATOM 361 N VAL A 522 6.246 -1.008 2.156 1.00 0.20 N ATOM 362 CA VAL A 522 5.601 -1.610 1.005 1.00 0.18 C ATOM 363 C VAL A 522 4.857 -0.512 0.262 1.00 0.18 C ATOM 364 O VAL A 522 4.001 0.161 0.836 1.00 0.19 O ATOM 365 CB VAL A 522 4.625 -2.731 1.421 1.00 0.20 C ATOM 366 CG1 VAL A 522 4.062 -3.449 0.204 1.00 0.21 C ATOM 367 CG2 VAL A 522 5.309 -3.721 2.352 1.00 0.22 C ATOM 0 H VAL A 522 5.604 -0.561 2.810 1.00 0.20 H new ATOM 0 HA VAL A 522 6.355 -2.068 0.365 1.00 0.18 H new ATOM 0 HB VAL A 522 3.795 -2.269 1.955 1.00 0.20 H new ATOM 0 HG11 VAL A 522 3.378 -4.233 0.528 1.00 0.21 H new ATOM 0 HG12 VAL A 522 3.526 -2.737 -0.423 1.00 0.21 H new ATOM 0 HG13 VAL A 522 4.878 -3.893 -0.367 1.00 0.21 H new ATOM 0 HG21 VAL A 522 4.604 -4.503 2.633 1.00 0.22 H new ATOM 0 HG22 VAL A 522 6.163 -4.168 1.843 1.00 0.22 H new ATOM 0 HG23 VAL A 522 5.651 -3.202 3.247 1.00 0.22 H new ATOM 377 N HIS A 523 5.195 -0.305 -0.996 1.00 0.18 N ATOM 378 CA HIS A 523 4.683 0.826 -1.747 1.00 0.18 C ATOM 379 C HIS A 523 3.667 0.370 -2.781 1.00 0.17 C ATOM 380 O HIS A 523 3.897 -0.587 -3.518 1.00 0.18 O ATOM 381 CB HIS A 523 5.857 1.536 -2.430 1.00 0.20 C ATOM 382 CG HIS A 523 5.487 2.697 -3.305 1.00 0.25 C ATOM 383 ND1 HIS A 523 5.423 2.607 -4.678 1.00 0.39 N ATOM 384 CD2 HIS A 523 5.222 3.991 -3.003 1.00 0.30 C ATOM 385 CE1 HIS A 523 5.142 3.793 -5.181 1.00 0.44 C ATOM 386 NE2 HIS A 523 5.014 4.653 -4.188 1.00 0.37 N ATOM 0 H HIS A 523 5.826 -0.909 -1.523 1.00 0.18 H new ATOM 0 HA HIS A 523 4.180 1.514 -1.068 1.00 0.18 H new ATOM 0 HB2 HIS A 523 6.544 1.888 -1.660 1.00 0.20 H new ATOM 0 HB3 HIS A 523 6.399 0.807 -3.033 1.00 0.20 H new ATOM 0 HD1 HIS A 523 5.570 1.756 -5.221 1.00 0.39 H new ATOM 0 HD2 HIS A 523 5.182 4.422 -2.014 1.00 0.30 H new ATOM 0 HE1 HIS A 523 5.034 4.023 -6.231 1.00 0.44 H new ATOM 395 N ILE A 524 2.555 1.070 -2.832 1.00 0.16 N ATOM 396 CA ILE A 524 1.522 0.798 -3.803 1.00 0.16 C ATOM 397 C ILE A 524 1.466 1.955 -4.783 1.00 0.17 C ATOM 398 O ILE A 524 1.635 3.108 -4.399 1.00 0.19 O ATOM 399 CB ILE A 524 0.152 0.599 -3.120 1.00 0.17 C ATOM 400 CG1 ILE A 524 0.269 -0.491 -2.050 1.00 0.16 C ATOM 401 CG2 ILE A 524 -0.922 0.246 -4.143 1.00 0.18 C ATOM 402 CD1 ILE A 524 -1.038 -0.855 -1.385 1.00 0.18 C ATOM 0 H ILE A 524 2.343 1.843 -2.201 1.00 0.16 H new ATOM 0 HA ILE A 524 1.757 -0.126 -4.331 1.00 0.16 H new ATOM 0 HB ILE A 524 -0.146 1.533 -2.644 1.00 0.17 H new ATOM 0 HG12 ILE A 524 0.693 -1.386 -2.505 1.00 0.16 H new ATOM 0 HG13 ILE A 524 0.972 -0.159 -1.286 1.00 0.16 H new ATOM 0 HG21 ILE A 524 -1.877 0.111 -3.636 1.00 0.18 H new ATOM 0 HG22 ILE A 524 -1.009 1.052 -4.872 1.00 0.18 H new ATOM 0 HG23 ILE A 524 -0.649 -0.677 -4.654 1.00 0.18 H new ATOM 0 HD11 ILE A 524 -0.864 -1.633 -0.642 1.00 0.18 H new ATOM 0 HD12 ILE A 524 -1.456 0.026 -0.897 1.00 0.18 H new ATOM 0 HD13 ILE A 524 -1.739 -1.221 -2.136 1.00 0.18 H new ATOM 414 N CYS A 525 1.273 1.659 -6.047 1.00 0.17 N ATOM 415 CA CYS A 525 1.295 2.696 -7.054 1.00 0.18 C ATOM 416 C CYS A 525 0.232 2.463 -8.108 1.00 0.15 C ATOM 417 O CYS A 525 -0.379 1.391 -8.157 1.00 0.16 O ATOM 418 CB CYS A 525 2.685 2.782 -7.691 1.00 0.29 C ATOM 419 SG CYS A 525 3.430 1.178 -8.063 1.00 1.17 S ATOM 0 H CYS A 525 1.100 0.718 -6.401 1.00 0.17 H new ATOM 0 HA CYS A 525 1.072 3.647 -6.570 1.00 0.18 H new ATOM 0 HB2 CYS A 525 2.615 3.360 -8.613 1.00 0.29 H new ATOM 0 HB3 CYS A 525 3.346 3.330 -7.020 1.00 0.29 H new ATOM 0 HG CYS A 525 2.870 0.260 -7.333 1.00 1.17 H new ATOM 425 N ASN A 526 0.015 3.501 -8.912 1.00 0.15 N ATOM 426 CA ASN A 526 -0.939 3.495 -10.026 1.00 0.16 C ATOM 427 C ASN A 526 -2.326 3.853 -9.527 1.00 0.15 C ATOM 428 O ASN A 526 -3.335 3.450 -10.101 1.00 0.18 O ATOM 429 CB ASN A 526 -0.962 2.161 -10.788 1.00 0.19 C ATOM 430 CG ASN A 526 0.341 1.867 -11.508 1.00 0.21 C ATOM 431 OD1 ASN A 526 1.070 2.776 -11.907 1.00 0.22 O ATOM 432 ND2 ASN A 526 0.639 0.590 -11.685 1.00 0.26 N ATOM 0 H ASN A 526 0.506 4.389 -8.808 1.00 0.15 H new ATOM 0 HA ASN A 526 -0.604 4.249 -10.738 1.00 0.16 H new ATOM 0 HB2 ASN A 526 -1.174 1.353 -10.088 1.00 0.19 H new ATOM 0 HB3 ASN A 526 -1.776 2.177 -11.513 1.00 0.19 H new ATOM 0 HD21 ASN A 526 1.499 0.329 -12.167 1.00 0.26 H new ATOM 0 HD22 ASN A 526 0.009 -0.133 -11.339 1.00 0.26 H new ATOM 439 N LEU A 527 -2.362 4.653 -8.472 1.00 0.15 N ATOM 440 CA LEU A 527 -3.615 5.132 -7.921 1.00 0.17 C ATOM 441 C LEU A 527 -3.964 6.454 -8.582 1.00 0.22 C ATOM 442 O LEU A 527 -3.178 7.392 -8.532 1.00 0.25 O ATOM 443 CB LEU A 527 -3.495 5.325 -6.404 1.00 0.15 C ATOM 444 CG LEU A 527 -3.403 4.044 -5.574 1.00 0.16 C ATOM 445 CD1 LEU A 527 -3.020 4.365 -4.139 1.00 0.18 C ATOM 446 CD2 LEU A 527 -4.731 3.312 -5.599 1.00 0.21 C ATOM 0 H LEU A 527 -1.532 4.984 -7.980 1.00 0.15 H new ATOM 0 HA LEU A 527 -4.399 4.399 -8.112 1.00 0.17 H new ATOM 0 HB2 LEU A 527 -2.611 5.930 -6.203 1.00 0.15 H new ATOM 0 HB3 LEU A 527 -4.357 5.897 -6.060 1.00 0.15 H new ATOM 0 HG LEU A 527 -2.633 3.406 -6.008 1.00 0.16 H new ATOM 0 HD11 LEU A 527 -2.959 3.441 -3.563 1.00 0.18 H new ATOM 0 HD12 LEU A 527 -2.052 4.866 -4.124 1.00 0.18 H new ATOM 0 HD13 LEU A 527 -3.773 5.018 -3.699 1.00 0.18 H new ATOM 0 HD21 LEU A 527 -4.656 2.401 -5.005 1.00 0.21 H new ATOM 0 HD22 LEU A 527 -5.508 3.953 -5.183 1.00 0.21 H new ATOM 0 HD23 LEU A 527 -4.985 3.055 -6.627 1.00 0.21 H new ATOM 458 N PRO A 528 -5.136 6.557 -9.214 1.00 0.26 N ATOM 459 CA PRO A 528 -5.536 7.788 -9.889 1.00 0.33 C ATOM 460 C PRO A 528 -5.809 8.909 -8.896 1.00 0.34 C ATOM 461 O PRO A 528 -6.460 8.699 -7.872 1.00 0.32 O ATOM 462 CB PRO A 528 -6.826 7.403 -10.631 1.00 0.38 C ATOM 463 CG PRO A 528 -6.917 5.914 -10.557 1.00 0.37 C ATOM 464 CD PRO A 528 -6.141 5.498 -9.343 1.00 0.29 C ATOM 0 HA PRO A 528 -4.756 8.163 -10.551 1.00 0.33 H new ATOM 0 HB2 PRO A 528 -7.696 7.870 -10.169 1.00 0.38 H new ATOM 0 HB3 PRO A 528 -6.795 7.741 -11.667 1.00 0.38 H new ATOM 0 HG2 PRO A 528 -7.956 5.592 -10.482 1.00 0.37 H new ATOM 0 HG3 PRO A 528 -6.505 5.455 -11.456 1.00 0.37 H new ATOM 0 HD2 PRO A 528 -6.777 5.435 -8.460 1.00 0.29 H new ATOM 0 HD3 PRO A 528 -5.681 4.519 -9.474 1.00 0.29 H new ATOM 472 N GLU A 529 -5.302 10.095 -9.196 1.00 0.41 N ATOM 473 CA GLU A 529 -5.554 11.269 -8.373 1.00 0.46 C ATOM 474 C GLU A 529 -7.034 11.613 -8.411 1.00 0.47 C ATOM 475 O GLU A 529 -7.631 11.666 -9.487 1.00 0.53 O ATOM 476 CB GLU A 529 -4.731 12.447 -8.877 1.00 0.57 C ATOM 477 CG GLU A 529 -4.920 13.722 -8.076 1.00 0.66 C ATOM 478 CD GLU A 529 -4.203 14.900 -8.697 1.00 1.12 C ATOM 479 OE1 GLU A 529 -4.802 15.575 -9.561 1.00 1.60 O ATOM 480 OE2 GLU A 529 -3.041 15.158 -8.325 1.00 1.41 O ATOM 0 H GLU A 529 -4.710 10.271 -10.008 1.00 0.41 H new ATOM 0 HA GLU A 529 -5.264 11.053 -7.345 1.00 0.46 H new ATOM 0 HB2 GLU A 529 -3.676 12.173 -8.860 1.00 0.57 H new ATOM 0 HB3 GLU A 529 -4.993 12.642 -9.917 1.00 0.57 H new ATOM 0 HG2 GLU A 529 -5.984 13.946 -7.999 1.00 0.66 H new ATOM 0 HG3 GLU A 529 -4.552 13.569 -7.061 1.00 0.66 H new ATOM 487 N GLY A 530 -7.622 11.842 -7.249 1.00 0.46 N ATOM 488 CA GLY A 530 -9.053 12.041 -7.180 1.00 0.48 C ATOM 489 C GLY A 530 -9.762 10.724 -6.982 1.00 0.43 C ATOM 490 O GLY A 530 -10.986 10.660 -6.934 1.00 0.46 O ATOM 0 H GLY A 530 -7.136 11.894 -6.354 1.00 0.46 H new ATOM 0 HA2 GLY A 530 -9.293 12.717 -6.359 1.00 0.48 H new ATOM 0 HA3 GLY A 530 -9.404 12.516 -8.096 1.00 0.48 H new ATOM 494 N SER A 531 -8.968 9.672 -6.853 1.00 0.37 N ATOM 495 CA SER A 531 -9.475 8.322 -6.695 1.00 0.35 C ATOM 496 C SER A 531 -8.609 7.561 -5.695 1.00 0.28 C ATOM 497 O SER A 531 -8.779 6.358 -5.487 1.00 0.30 O ATOM 498 CB SER A 531 -9.459 7.612 -8.044 1.00 0.40 C ATOM 499 OG SER A 531 -10.162 8.358 -9.023 1.00 1.08 O ATOM 0 H SER A 531 -7.950 9.733 -6.855 1.00 0.37 H new ATOM 0 HA SER A 531 -10.498 8.359 -6.321 1.00 0.35 H new ATOM 0 HB2 SER A 531 -8.429 7.462 -8.367 1.00 0.40 H new ATOM 0 HB3 SER A 531 -9.908 6.624 -7.944 1.00 0.40 H new ATOM 0 HG SER A 531 -10.831 7.785 -9.453 1.00 1.08 H new ATOM 505 N CYS A 532 -7.688 8.282 -5.068 1.00 0.24 N ATOM 506 CA CYS A 532 -6.781 7.692 -4.098 1.00 0.20 C ATOM 507 C CYS A 532 -7.420 7.756 -2.726 1.00 0.18 C ATOM 508 O CYS A 532 -7.247 8.736 -1.999 1.00 0.21 O ATOM 509 CB CYS A 532 -5.445 8.440 -4.068 1.00 0.21 C ATOM 510 SG CYS A 532 -4.569 8.490 -5.645 1.00 0.25 S ATOM 0 H CYS A 532 -7.551 9.282 -5.217 1.00 0.24 H new ATOM 0 HA CYS A 532 -6.589 6.657 -4.383 1.00 0.20 H new ATOM 0 HB2 CYS A 532 -5.625 9.462 -3.736 1.00 0.21 H new ATOM 0 HB3 CYS A 532 -4.799 7.972 -3.325 1.00 0.21 H new ATOM 0 HG CYS A 532 -5.401 8.241 -6.612 1.00 0.25 H new ATOM 516 N THR A 533 -8.171 6.732 -2.376 1.00 0.17 N ATOM 517 CA THR A 533 -8.834 6.713 -1.094 1.00 0.18 C ATOM 518 C THR A 533 -8.072 5.805 -0.150 1.00 0.17 C ATOM 519 O THR A 533 -7.457 4.830 -0.577 1.00 0.18 O ATOM 520 CB THR A 533 -10.277 6.199 -1.250 1.00 0.26 C ATOM 521 OG1 THR A 533 -10.244 4.863 -1.769 1.00 0.35 O ATOM 522 CG2 THR A 533 -11.077 7.095 -2.188 1.00 0.28 C ATOM 0 H THR A 533 -8.335 5.910 -2.957 1.00 0.17 H new ATOM 0 HA THR A 533 -8.862 7.725 -0.691 1.00 0.18 H new ATOM 0 HB THR A 533 -10.762 6.210 -0.274 1.00 0.26 H new ATOM 0 HG1 THR A 533 -11.158 4.516 -1.837 1.00 0.35 H new ATOM 0 HG21 THR A 533 -12.092 6.710 -2.281 1.00 0.28 H new ATOM 0 HG22 THR A 533 -11.108 8.107 -1.785 1.00 0.28 H new ATOM 0 HG23 THR A 533 -10.603 7.109 -3.170 1.00 0.28 H new ATOM 530 N GLU A 534 -8.119 6.123 1.131 1.00 0.19 N ATOM 531 CA GLU A 534 -7.425 5.338 2.135 1.00 0.20 C ATOM 532 C GLU A 534 -8.077 3.978 2.272 1.00 0.19 C ATOM 533 O GLU A 534 -7.410 2.970 2.500 1.00 0.20 O ATOM 534 CB GLU A 534 -7.384 6.079 3.469 1.00 0.23 C ATOM 535 CG GLU A 534 -6.815 7.491 3.346 1.00 0.27 C ATOM 536 CD GLU A 534 -6.736 8.217 4.671 1.00 0.93 C ATOM 537 OE1 GLU A 534 -7.795 8.577 5.222 1.00 1.17 O ATOM 538 OE2 GLU A 534 -5.612 8.426 5.174 1.00 1.64 O ATOM 0 H GLU A 534 -8.633 6.923 1.501 1.00 0.19 H new ATOM 0 HA GLU A 534 -6.393 5.188 1.816 1.00 0.20 H new ATOM 0 HB2 GLU A 534 -8.392 6.133 3.880 1.00 0.23 H new ATOM 0 HB3 GLU A 534 -6.781 5.510 4.177 1.00 0.23 H new ATOM 0 HG2 GLU A 534 -5.818 7.438 2.908 1.00 0.27 H new ATOM 0 HG3 GLU A 534 -7.435 8.067 2.659 1.00 0.27 H new ATOM 545 N ASN A 535 -9.393 3.965 2.117 1.00 0.20 N ATOM 546 CA ASN A 535 -10.168 2.760 2.336 1.00 0.22 C ATOM 547 C ASN A 535 -9.791 1.679 1.333 1.00 0.21 C ATOM 548 O ASN A 535 -9.469 0.576 1.731 1.00 0.21 O ATOM 549 CB ASN A 535 -11.665 3.050 2.236 1.00 0.27 C ATOM 550 CG ASN A 535 -12.515 1.884 2.713 1.00 0.96 C ATOM 551 OD1 ASN A 535 -12.149 1.174 3.648 1.00 1.82 O ATOM 552 ND2 ASN A 535 -13.651 1.672 2.072 1.00 1.38 N ATOM 0 H ASN A 535 -9.944 4.778 1.840 1.00 0.20 H new ATOM 0 HA ASN A 535 -9.942 2.403 3.341 1.00 0.22 H new ATOM 0 HB2 ASN A 535 -11.901 3.934 2.828 1.00 0.27 H new ATOM 0 HB3 ASN A 535 -11.919 3.282 1.202 1.00 0.27 H new ATOM 0 HD21 ASN A 535 -14.256 0.899 2.349 1.00 1.38 H new ATOM 0 HD22 ASN A 535 -13.923 2.282 1.301 1.00 1.38 H new ATOM 559 N ASP A 536 -9.740 2.018 0.044 1.00 0.21 N ATOM 560 CA ASP A 536 -9.544 1.007 -1.003 1.00 0.22 C ATOM 561 C ASP A 536 -8.135 0.423 -0.952 1.00 0.17 C ATOM 562 O ASP A 536 -7.939 -0.783 -1.116 1.00 0.16 O ATOM 563 CB ASP A 536 -9.811 1.598 -2.394 1.00 0.27 C ATOM 564 CG ASP A 536 -11.290 1.778 -2.686 1.00 0.37 C ATOM 565 OD1 ASP A 536 -11.913 0.832 -3.214 1.00 0.44 O ATOM 566 OD2 ASP A 536 -11.838 2.866 -2.398 1.00 0.61 O ATOM 0 H ASP A 536 -9.830 2.974 -0.301 1.00 0.21 H new ATOM 0 HA ASP A 536 -10.259 0.205 -0.817 1.00 0.22 H new ATOM 0 HB2 ASP A 536 -9.310 2.562 -2.476 1.00 0.27 H new ATOM 0 HB3 ASP A 536 -9.373 0.946 -3.150 1.00 0.27 H new ATOM 571 N VAL A 537 -7.172 1.298 -0.714 1.00 0.15 N ATOM 572 CA VAL A 537 -5.765 0.906 -0.628 1.00 0.13 C ATOM 573 C VAL A 537 -5.571 -0.086 0.524 1.00 0.12 C ATOM 574 O VAL A 537 -4.968 -1.161 0.372 1.00 0.13 O ATOM 575 CB VAL A 537 -4.860 2.147 -0.437 1.00 0.12 C ATOM 576 CG1 VAL A 537 -3.386 1.781 -0.484 1.00 0.12 C ATOM 577 CG2 VAL A 537 -5.165 3.178 -1.504 1.00 0.13 C ATOM 0 H VAL A 537 -7.336 2.295 -0.575 1.00 0.15 H new ATOM 0 HA VAL A 537 -5.479 0.423 -1.562 1.00 0.13 H new ATOM 0 HB VAL A 537 -5.071 2.562 0.548 1.00 0.12 H new ATOM 0 HG11 VAL A 537 -2.784 2.679 -0.346 1.00 0.12 H new ATOM 0 HG12 VAL A 537 -3.163 1.069 0.310 1.00 0.12 H new ATOM 0 HG13 VAL A 537 -3.153 1.333 -1.450 1.00 0.12 H new ATOM 0 HG21 VAL A 537 -4.524 4.048 -1.363 1.00 0.13 H new ATOM 0 HG22 VAL A 537 -4.981 2.748 -2.489 1.00 0.13 H new ATOM 0 HG23 VAL A 537 -6.209 3.481 -1.429 1.00 0.13 H new ATOM 587 N ILE A 538 -6.125 0.265 1.669 1.00 0.12 N ATOM 588 CA ILE A 538 -6.095 -0.606 2.828 1.00 0.12 C ATOM 589 C ILE A 538 -6.956 -1.853 2.611 1.00 0.12 C ATOM 590 O ILE A 538 -6.636 -2.928 3.115 1.00 0.12 O ATOM 591 CB ILE A 538 -6.530 0.131 4.101 1.00 0.14 C ATOM 592 CG1 ILE A 538 -5.535 1.232 4.441 1.00 0.16 C ATOM 593 CG2 ILE A 538 -6.644 -0.845 5.255 1.00 0.14 C ATOM 594 CD1 ILE A 538 -5.908 1.998 5.685 1.00 0.23 C ATOM 0 H ILE A 538 -6.604 1.153 1.821 1.00 0.12 H new ATOM 0 HA ILE A 538 -5.061 -0.924 2.961 1.00 0.12 H new ATOM 0 HB ILE A 538 -7.505 0.585 3.926 1.00 0.14 H new ATOM 0 HG12 ILE A 538 -4.546 0.793 4.574 1.00 0.16 H new ATOM 0 HG13 ILE A 538 -5.466 1.924 3.602 1.00 0.16 H new ATOM 0 HG21 ILE A 538 -6.953 -0.311 6.154 1.00 0.14 H new ATOM 0 HG22 ILE A 538 -7.383 -1.609 5.014 1.00 0.14 H new ATOM 0 HG23 ILE A 538 -5.677 -1.318 5.428 1.00 0.14 H new ATOM 0 HD11 ILE A 538 -5.161 2.769 5.875 1.00 0.23 H new ATOM 0 HD12 ILE A 538 -6.883 2.464 5.546 1.00 0.23 H new ATOM 0 HD13 ILE A 538 -5.950 1.315 6.534 1.00 0.23 H new ATOM 606 N ASN A 539 -8.060 -1.706 1.877 1.00 0.12 N ATOM 607 CA ASN A 539 -8.913 -2.847 1.547 1.00 0.14 C ATOM 608 C ASN A 539 -8.121 -3.898 0.796 1.00 0.15 C ATOM 609 O ASN A 539 -8.482 -5.071 0.795 1.00 0.17 O ATOM 610 CB ASN A 539 -10.134 -2.469 0.692 1.00 0.17 C ATOM 611 CG ASN A 539 -11.159 -1.589 1.389 1.00 0.20 C ATOM 612 OD1 ASN A 539 -11.221 -1.646 2.707 1.00 0.25 O flip ATOM 613 ND2 ASN A 539 -11.896 -0.853 0.735 1.00 0.21 N flip ATOM 0 H ASN A 539 -8.382 -0.814 1.502 1.00 0.12 H new ATOM 0 HA ASN A 539 -9.273 -3.231 2.501 1.00 0.14 H new ATOM 0 HB2 ASN A 539 -9.786 -1.955 -0.204 1.00 0.17 H new ATOM 0 HB3 ASN A 539 -10.626 -3.384 0.364 1.00 0.17 H new ATOM 0 HD21 ASN A 539 -11.823 -0.832 -0.282 1.00 0.21 H new ATOM 0 HD22 ASN A 539 -12.580 -0.264 1.210 1.00 0.21 H new ATOM 620 N LEU A 540 -7.072 -3.478 0.112 1.00 0.15 N ATOM 621 CA LEU A 540 -6.177 -4.428 -0.513 1.00 0.17 C ATOM 622 C LEU A 540 -5.304 -5.083 0.550 1.00 0.16 C ATOM 623 O LEU A 540 -5.103 -6.297 0.543 1.00 0.19 O ATOM 624 CB LEU A 540 -5.281 -3.711 -1.522 1.00 0.19 C ATOM 625 CG LEU A 540 -6.010 -3.010 -2.664 1.00 0.22 C ATOM 626 CD1 LEU A 540 -5.007 -2.352 -3.594 1.00 0.27 C ATOM 627 CD2 LEU A 540 -6.891 -3.984 -3.427 1.00 0.24 C ATOM 0 H LEU A 540 -6.823 -2.498 -0.023 1.00 0.15 H new ATOM 0 HA LEU A 540 -6.767 -5.188 -1.025 1.00 0.17 H new ATOM 0 HB2 LEU A 540 -4.681 -2.973 -0.989 1.00 0.19 H new ATOM 0 HB3 LEU A 540 -4.588 -4.437 -1.947 1.00 0.19 H new ATOM 0 HG LEU A 540 -6.655 -2.240 -2.241 1.00 0.22 H new ATOM 0 HD11 LEU A 540 -5.536 -1.854 -4.406 1.00 0.27 H new ATOM 0 HD12 LEU A 540 -4.422 -1.619 -3.038 1.00 0.27 H new ATOM 0 HD13 LEU A 540 -4.341 -3.110 -4.006 1.00 0.27 H new ATOM 0 HD21 LEU A 540 -7.399 -3.458 -4.235 1.00 0.24 H new ATOM 0 HD22 LEU A 540 -6.276 -4.782 -3.843 1.00 0.24 H new ATOM 0 HD23 LEU A 540 -7.631 -4.412 -2.751 1.00 0.24 H new ATOM 639 N GLY A 541 -4.821 -4.263 1.482 1.00 0.14 N ATOM 640 CA GLY A 541 -3.948 -4.760 2.536 1.00 0.16 C ATOM 641 C GLY A 541 -4.589 -5.721 3.531 1.00 0.15 C ATOM 642 O GLY A 541 -4.096 -6.828 3.728 1.00 0.19 O ATOM 0 H GLY A 541 -5.018 -3.263 1.527 1.00 0.14 H new ATOM 0 HA2 GLY A 541 -3.098 -5.261 2.072 1.00 0.16 H new ATOM 0 HA3 GLY A 541 -3.553 -3.907 3.087 1.00 0.16 H new ATOM 646 N LEU A 542 -5.705 -5.323 4.119 1.00 0.13 N ATOM 647 CA LEU A 542 -6.266 -6.037 5.274 1.00 0.14 C ATOM 648 C LEU A 542 -6.577 -7.523 5.030 1.00 0.16 C ATOM 649 O LEU A 542 -6.205 -8.358 5.855 1.00 0.20 O ATOM 650 CB LEU A 542 -7.508 -5.322 5.794 1.00 0.13 C ATOM 651 CG LEU A 542 -7.229 -4.078 6.632 1.00 0.14 C ATOM 652 CD1 LEU A 542 -8.513 -3.315 6.887 1.00 0.16 C ATOM 653 CD2 LEU A 542 -6.574 -4.470 7.945 1.00 0.16 C ATOM 0 H LEU A 542 -6.246 -4.511 3.822 1.00 0.13 H new ATOM 0 HA LEU A 542 -5.476 -6.023 6.025 1.00 0.14 H new ATOM 0 HB2 LEU A 542 -8.129 -5.038 4.944 1.00 0.13 H new ATOM 0 HB3 LEU A 542 -8.089 -6.023 6.393 1.00 0.13 H new ATOM 0 HG LEU A 542 -6.547 -3.429 6.082 1.00 0.14 H new ATOM 0 HD11 LEU A 542 -8.298 -2.430 7.486 1.00 0.16 H new ATOM 0 HD12 LEU A 542 -8.951 -3.012 5.936 1.00 0.16 H new ATOM 0 HD13 LEU A 542 -9.215 -3.954 7.423 1.00 0.16 H new ATOM 0 HD21 LEU A 542 -6.379 -3.575 8.536 1.00 0.16 H new ATOM 0 HD22 LEU A 542 -7.238 -5.133 8.499 1.00 0.16 H new ATOM 0 HD23 LEU A 542 -5.634 -4.984 7.744 1.00 0.16 H new ATOM 665 N PRO A 543 -7.263 -7.890 3.932 1.00 0.17 N ATOM 666 CA PRO A 543 -7.657 -9.285 3.682 1.00 0.19 C ATOM 667 C PRO A 543 -6.473 -10.251 3.604 1.00 0.20 C ATOM 668 O PRO A 543 -6.633 -11.451 3.840 1.00 0.23 O ATOM 669 CB PRO A 543 -8.396 -9.211 2.340 1.00 0.22 C ATOM 670 CG PRO A 543 -8.864 -7.803 2.269 1.00 0.21 C ATOM 671 CD PRO A 543 -7.745 -7.007 2.863 1.00 0.17 C ATOM 0 HA PRO A 543 -8.262 -9.680 4.499 1.00 0.19 H new ATOM 0 HB2 PRO A 543 -7.737 -9.456 1.507 1.00 0.22 H new ATOM 0 HB3 PRO A 543 -9.230 -9.912 2.304 1.00 0.22 H new ATOM 0 HG2 PRO A 543 -9.063 -7.502 1.240 1.00 0.21 H new ATOM 0 HG3 PRO A 543 -9.790 -7.664 2.827 1.00 0.21 H new ATOM 0 HD2 PRO A 543 -6.966 -6.792 2.131 1.00 0.17 H new ATOM 0 HD3 PRO A 543 -8.090 -6.049 3.252 1.00 0.17 H new ATOM 679 N PHE A 544 -5.287 -9.745 3.274 1.00 0.20 N ATOM 680 CA PHE A 544 -4.096 -10.590 3.238 1.00 0.22 C ATOM 681 C PHE A 544 -3.252 -10.412 4.499 1.00 0.22 C ATOM 682 O PHE A 544 -2.380 -11.230 4.789 1.00 0.28 O ATOM 683 CB PHE A 544 -3.244 -10.280 2.005 1.00 0.23 C ATOM 684 CG PHE A 544 -3.904 -10.615 0.699 1.00 0.25 C ATOM 685 CD1 PHE A 544 -3.914 -11.918 0.230 1.00 0.29 C ATOM 686 CD2 PHE A 544 -4.519 -9.630 -0.056 1.00 0.28 C ATOM 687 CE1 PHE A 544 -4.521 -12.231 -0.969 1.00 0.33 C ATOM 688 CE2 PHE A 544 -5.129 -9.937 -1.256 1.00 0.32 C ATOM 689 CZ PHE A 544 -5.124 -11.228 -1.720 1.00 0.33 C ATOM 0 H PHE A 544 -5.126 -8.768 3.031 1.00 0.20 H new ATOM 0 HA PHE A 544 -4.435 -11.625 3.187 1.00 0.22 H new ATOM 0 HB2 PHE A 544 -2.991 -9.220 2.010 1.00 0.23 H new ATOM 0 HB3 PHE A 544 -2.307 -10.832 2.077 1.00 0.23 H new ATOM 0 HD1 PHE A 544 -3.442 -12.698 0.809 1.00 0.29 H new ATOM 0 HD2 PHE A 544 -4.521 -8.610 0.298 1.00 0.28 H new ATOM 0 HE1 PHE A 544 -4.528 -13.251 -1.323 1.00 0.33 H new ATOM 0 HE2 PHE A 544 -5.611 -9.160 -1.830 1.00 0.32 H new ATOM 0 HZ PHE A 544 -5.587 -11.465 -2.666 1.00 0.33 H new ATOM 699 N GLY A 545 -3.510 -9.346 5.244 1.00 0.19 N ATOM 700 CA GLY A 545 -2.772 -9.102 6.469 1.00 0.21 C ATOM 701 C GLY A 545 -3.174 -7.803 7.133 1.00 0.21 C ATOM 702 O GLY A 545 -3.667 -6.892 6.476 1.00 0.44 O ATOM 0 H GLY A 545 -4.217 -8.645 5.023 1.00 0.19 H new ATOM 0 HA2 GLY A 545 -2.938 -9.928 7.161 1.00 0.21 H new ATOM 0 HA3 GLY A 545 -1.705 -9.080 6.249 1.00 0.21 H new ATOM 706 N LYS A 546 -2.957 -7.710 8.436 1.00 0.27 N ATOM 707 CA LYS A 546 -3.357 -6.533 9.190 1.00 0.25 C ATOM 708 C LYS A 546 -2.556 -5.303 8.769 1.00 0.20 C ATOM 709 O LYS A 546 -1.323 -5.320 8.729 1.00 0.24 O ATOM 710 CB LYS A 546 -3.204 -6.780 10.695 1.00 0.35 C ATOM 711 CG LYS A 546 -3.550 -5.575 11.565 1.00 0.41 C ATOM 712 CD LYS A 546 -4.959 -5.063 11.301 1.00 0.92 C ATOM 713 CE LYS A 546 -5.375 -4.005 12.317 1.00 1.60 C ATOM 714 NZ LYS A 546 -4.423 -2.861 12.367 1.00 2.07 N ATOM 0 H LYS A 546 -2.506 -8.436 8.993 1.00 0.27 H new ATOM 0 HA LYS A 546 -4.407 -6.340 8.971 1.00 0.25 H new ATOM 0 HB2 LYS A 546 -3.842 -7.616 10.981 1.00 0.35 H new ATOM 0 HB3 LYS A 546 -2.176 -7.079 10.900 1.00 0.35 H new ATOM 0 HG2 LYS A 546 -3.455 -5.848 12.616 1.00 0.41 H new ATOM 0 HG3 LYS A 546 -2.833 -4.775 11.378 1.00 0.41 H new ATOM 0 HD2 LYS A 546 -5.011 -4.643 10.296 1.00 0.92 H new ATOM 0 HD3 LYS A 546 -5.661 -5.896 11.335 1.00 0.92 H new ATOM 0 HE2 LYS A 546 -6.370 -3.636 12.067 1.00 1.60 H new ATOM 0 HE3 LYS A 546 -5.443 -4.461 13.305 1.00 1.60 H new ATOM 0 HZ1 LYS A 546 -4.931 -1.999 12.649 1.00 2.07 H new ATOM 0 HZ2 LYS A 546 -3.673 -3.063 13.059 1.00 2.07 H new ATOM 0 HZ3 LYS A 546 -3.999 -2.721 11.428 1.00 2.07 H new ATOM 728 N VAL A 547 -3.283 -4.245 8.453 1.00 0.16 N ATOM 729 CA VAL A 547 -2.698 -2.970 8.089 1.00 0.15 C ATOM 730 C VAL A 547 -2.485 -2.124 9.333 1.00 0.18 C ATOM 731 O VAL A 547 -3.439 -1.783 10.036 1.00 0.20 O ATOM 732 CB VAL A 547 -3.608 -2.225 7.091 1.00 0.16 C ATOM 733 CG1 VAL A 547 -3.101 -0.820 6.809 1.00 0.18 C ATOM 734 CG2 VAL A 547 -3.712 -3.019 5.801 1.00 0.14 C ATOM 0 H VAL A 547 -4.303 -4.249 8.442 1.00 0.16 H new ATOM 0 HA VAL A 547 -1.735 -3.151 7.612 1.00 0.15 H new ATOM 0 HB VAL A 547 -4.597 -2.131 7.540 1.00 0.16 H new ATOM 0 HG11 VAL A 547 -3.768 -0.327 6.102 1.00 0.18 H new ATOM 0 HG12 VAL A 547 -3.072 -0.250 7.738 1.00 0.18 H new ATOM 0 HG13 VAL A 547 -2.098 -0.873 6.385 1.00 0.18 H new ATOM 0 HG21 VAL A 547 -4.356 -2.489 5.099 1.00 0.14 H new ATOM 0 HG22 VAL A 547 -2.720 -3.137 5.366 1.00 0.14 H new ATOM 0 HG23 VAL A 547 -4.135 -4.001 6.011 1.00 0.14 H new ATOM 744 N THR A 548 -1.230 -1.830 9.627 1.00 0.20 N ATOM 745 CA THR A 548 -0.894 -1.025 10.785 1.00 0.23 C ATOM 746 C THR A 548 -0.736 0.448 10.422 1.00 0.23 C ATOM 747 O THR A 548 -1.142 1.327 11.183 1.00 0.27 O ATOM 748 CB THR A 548 0.401 -1.549 11.425 1.00 0.27 C ATOM 749 OG1 THR A 548 1.405 -1.711 10.414 1.00 0.26 O ATOM 750 CG2 THR A 548 0.162 -2.880 12.121 1.00 0.31 C ATOM 0 H THR A 548 -0.427 -2.138 9.078 1.00 0.20 H new ATOM 0 HA THR A 548 -1.715 -1.105 11.498 1.00 0.23 H new ATOM 0 HB THR A 548 0.736 -0.825 12.168 1.00 0.27 H new ATOM 0 HG1 THR A 548 2.136 -1.078 10.574 1.00 0.26 H new ATOM 0 HG21 THR A 548 1.093 -3.230 12.566 1.00 0.31 H new ATOM 0 HG22 THR A 548 -0.588 -2.753 12.902 1.00 0.31 H new ATOM 0 HG23 THR A 548 -0.191 -3.612 11.395 1.00 0.31 H new ATOM 758 N ASN A 549 -0.195 0.705 9.239 1.00 0.20 N ATOM 759 CA ASN A 549 0.004 2.071 8.760 1.00 0.21 C ATOM 760 C ASN A 549 -0.244 2.153 7.263 1.00 0.18 C ATOM 761 O ASN A 549 -0.232 1.142 6.562 1.00 0.20 O ATOM 762 CB ASN A 549 1.421 2.589 9.059 1.00 0.26 C ATOM 763 CG ASN A 549 1.655 2.953 10.510 1.00 0.40 C ATOM 764 OD1 ASN A 549 0.729 3.268 11.254 1.00 1.26 O ATOM 765 ND2 ASN A 549 2.909 2.944 10.913 1.00 0.81 N ATOM 0 H ASN A 549 0.116 -0.017 8.589 1.00 0.20 H new ATOM 0 HA ASN A 549 -0.712 2.697 9.293 1.00 0.21 H new ATOM 0 HB2 ASN A 549 2.144 1.827 8.766 1.00 0.26 H new ATOM 0 HB3 ASN A 549 1.613 3.466 8.440 1.00 0.26 H new ATOM 0 HD21 ASN A 549 3.138 3.204 11.872 1.00 0.81 H new ATOM 0 HD22 ASN A 549 3.651 2.677 10.266 1.00 0.81 H new ATOM 772 N TYR A 550 -0.479 3.364 6.791 1.00 0.17 N ATOM 773 CA TYR A 550 -0.751 3.617 5.386 1.00 0.17 C ATOM 774 C TYR A 550 -0.524 5.089 5.080 1.00 0.17 C ATOM 775 O TYR A 550 -0.679 5.939 5.958 1.00 0.17 O ATOM 776 CB TYR A 550 -2.190 3.213 5.049 1.00 0.17 C ATOM 777 CG TYR A 550 -3.231 3.900 5.908 1.00 0.17 C ATOM 778 CD1 TYR A 550 -4.119 4.809 5.358 1.00 0.19 C ATOM 779 CD2 TYR A 550 -3.318 3.644 7.273 1.00 0.19 C ATOM 780 CE1 TYR A 550 -5.066 5.440 6.142 1.00 0.22 C ATOM 781 CE2 TYR A 550 -4.259 4.270 8.058 1.00 0.24 C ATOM 782 CZ TYR A 550 -5.130 5.166 7.489 1.00 0.25 C ATOM 783 OH TYR A 550 -6.079 5.784 8.270 1.00 0.31 O ATOM 0 H TYR A 550 -0.487 4.202 7.372 1.00 0.17 H new ATOM 0 HA TYR A 550 -0.074 3.021 4.773 1.00 0.17 H new ATOM 0 HB2 TYR A 550 -2.387 3.442 4.002 1.00 0.17 H new ATOM 0 HB3 TYR A 550 -2.292 2.134 5.164 1.00 0.17 H new ATOM 0 HD1 TYR A 550 -4.071 5.028 4.302 1.00 0.19 H new ATOM 0 HD2 TYR A 550 -2.634 2.941 7.725 1.00 0.19 H new ATOM 0 HE1 TYR A 550 -5.753 6.146 5.699 1.00 0.22 H new ATOM 0 HE2 TYR A 550 -4.312 4.058 9.116 1.00 0.24 H new ATOM 0 HH TYR A 550 -5.989 5.479 9.197 1.00 0.31 H new ATOM 793 N ILE A 551 -0.162 5.390 3.844 1.00 0.18 N ATOM 794 CA ILE A 551 0.152 6.750 3.432 1.00 0.16 C ATOM 795 C ILE A 551 -0.331 6.939 2.011 1.00 0.17 C ATOM 796 O ILE A 551 0.000 6.137 1.147 1.00 0.20 O ATOM 797 CB ILE A 551 1.676 7.012 3.453 1.00 0.18 C ATOM 798 CG1 ILE A 551 2.285 6.618 4.802 1.00 0.19 C ATOM 799 CG2 ILE A 551 1.972 8.471 3.144 1.00 0.22 C ATOM 800 CD1 ILE A 551 3.795 6.685 4.835 1.00 0.20 C ATOM 0 H ILE A 551 -0.077 4.700 3.098 1.00 0.18 H new ATOM 0 HA ILE A 551 -0.333 7.439 4.124 1.00 0.16 H new ATOM 0 HB ILE A 551 2.133 6.393 2.681 1.00 0.18 H new ATOM 0 HG12 ILE A 551 1.885 7.274 5.576 1.00 0.19 H new ATOM 0 HG13 ILE A 551 1.971 5.604 5.049 1.00 0.19 H new ATOM 0 HG21 ILE A 551 3.049 8.636 3.163 1.00 0.22 H new ATOM 0 HG22 ILE A 551 1.585 8.719 2.156 1.00 0.22 H new ATOM 0 HG23 ILE A 551 1.494 9.105 3.891 1.00 0.22 H new ATOM 0 HD11 ILE A 551 4.151 6.392 5.823 1.00 0.20 H new ATOM 0 HD12 ILE A 551 4.206 6.008 4.086 1.00 0.20 H new ATOM 0 HD13 ILE A 551 4.119 7.703 4.620 1.00 0.20 H new ATOM 812 N LEU A 552 -1.110 7.963 1.749 1.00 0.16 N ATOM 813 CA LEU A 552 -1.590 8.179 0.400 1.00 0.19 C ATOM 814 C LEU A 552 -0.873 9.355 -0.234 1.00 0.19 C ATOM 815 O LEU A 552 -0.988 10.478 0.246 1.00 0.26 O ATOM 816 CB LEU A 552 -3.094 8.411 0.382 1.00 0.27 C ATOM 817 CG LEU A 552 -3.954 7.211 0.738 1.00 0.30 C ATOM 818 CD1 LEU A 552 -5.396 7.539 0.439 1.00 0.43 C ATOM 819 CD2 LEU A 552 -3.521 5.969 -0.023 1.00 0.42 C ATOM 0 H LEU A 552 -1.421 8.649 2.436 1.00 0.16 H new ATOM 0 HA LEU A 552 -1.378 7.280 -0.179 1.00 0.19 H new ATOM 0 HB2 LEU A 552 -3.326 9.219 1.076 1.00 0.27 H new ATOM 0 HB3 LEU A 552 -3.377 8.755 -0.613 1.00 0.27 H new ATOM 0 HG LEU A 552 -3.835 6.995 1.800 1.00 0.30 H new ATOM 0 HD11 LEU A 552 -6.023 6.684 0.691 1.00 0.43 H new ATOM 0 HD12 LEU A 552 -5.703 8.401 1.031 1.00 0.43 H new ATOM 0 HD13 LEU A 552 -5.505 7.769 -0.621 1.00 0.43 H new ATOM 0 HD21 LEU A 552 -4.158 5.130 0.257 1.00 0.42 H new ATOM 0 HD22 LEU A 552 -3.609 6.150 -1.094 1.00 0.42 H new ATOM 0 HD23 LEU A 552 -2.485 5.735 0.222 1.00 0.42 H new ATOM 831 N MET A 553 -0.178 9.115 -1.331 1.00 0.18 N ATOM 832 CA MET A 553 0.560 10.186 -1.981 1.00 0.26 C ATOM 833 C MET A 553 -0.237 10.649 -3.186 1.00 0.26 C ATOM 834 O MET A 553 0.036 10.267 -4.327 1.00 0.25 O ATOM 835 CB MET A 553 1.935 9.691 -2.444 1.00 0.35 C ATOM 836 CG MET A 553 2.697 8.896 -1.398 1.00 0.56 C ATOM 837 SD MET A 553 4.007 7.888 -2.126 1.00 1.03 S ATOM 838 CE MET A 553 5.043 9.147 -2.863 1.00 0.80 C ATOM 0 H MET A 553 -0.108 8.205 -1.786 1.00 0.18 H new ATOM 0 HA MET A 553 0.708 11.005 -1.276 1.00 0.26 H new ATOM 0 HB2 MET A 553 1.805 9.071 -3.331 1.00 0.35 H new ATOM 0 HB3 MET A 553 2.537 10.550 -2.740 1.00 0.35 H new ATOM 0 HG2 MET A 553 3.131 9.580 -0.669 1.00 0.56 H new ATOM 0 HG3 MET A 553 2.003 8.252 -0.857 1.00 0.56 H new ATOM 0 HE1 MET A 553 5.080 9.001 -3.943 1.00 0.80 H new ATOM 0 HE2 MET A 553 4.631 10.132 -2.644 1.00 0.80 H new ATOM 0 HE3 MET A 553 6.050 9.076 -2.452 1.00 0.80 H new ATOM 848 N LYS A 554 -1.227 11.478 -2.906 1.00 0.32 N ATOM 849 CA LYS A 554 -2.079 12.056 -3.938 1.00 0.37 C ATOM 850 C LYS A 554 -1.297 12.768 -5.037 1.00 0.38 C ATOM 851 O LYS A 554 -1.742 12.812 -6.184 1.00 0.40 O ATOM 852 CB LYS A 554 -3.077 13.023 -3.305 1.00 0.47 C ATOM 853 CG LYS A 554 -3.676 12.528 -1.992 1.00 0.43 C ATOM 854 CD LYS A 554 -4.283 11.137 -2.117 1.00 0.37 C ATOM 855 CE LYS A 554 -5.084 10.771 -0.878 1.00 0.39 C ATOM 856 NZ LYS A 554 -6.270 11.646 -0.695 1.00 1.03 N ATOM 0 H LYS A 554 -1.465 11.771 -1.959 1.00 0.32 H new ATOM 0 HA LYS A 554 -2.602 11.226 -4.412 1.00 0.37 H new ATOM 0 HB2 LYS A 554 -2.580 13.977 -3.129 1.00 0.47 H new ATOM 0 HB3 LYS A 554 -3.885 13.210 -4.013 1.00 0.47 H new ATOM 0 HG2 LYS A 554 -2.902 12.516 -1.225 1.00 0.43 H new ATOM 0 HG3 LYS A 554 -4.443 13.227 -1.660 1.00 0.43 H new ATOM 0 HD2 LYS A 554 -4.928 11.097 -2.995 1.00 0.37 H new ATOM 0 HD3 LYS A 554 -3.491 10.404 -2.270 1.00 0.37 H new ATOM 0 HE2 LYS A 554 -5.409 9.733 -0.952 1.00 0.39 H new ATOM 0 HE3 LYS A 554 -4.443 10.843 0.001 1.00 0.39 H new ATOM 0 HZ1 LYS A 554 -6.955 11.176 -0.069 1.00 1.03 H new ATOM 0 HZ2 LYS A 554 -5.974 12.547 -0.269 1.00 1.03 H new ATOM 0 HZ3 LYS A 554 -6.713 11.828 -1.618 1.00 1.03 H new ATOM 870 N SER A 555 -0.138 13.311 -4.705 1.00 0.40 N ATOM 871 CA SER A 555 0.611 14.115 -5.650 1.00 0.44 C ATOM 872 C SER A 555 1.193 13.266 -6.780 1.00 0.38 C ATOM 873 O SER A 555 1.111 13.637 -7.951 1.00 0.38 O ATOM 874 CB SER A 555 1.720 14.858 -4.908 1.00 0.51 C ATOM 875 OG SER A 555 2.562 13.952 -4.213 1.00 0.50 O ATOM 0 H SER A 555 0.302 13.209 -3.790 1.00 0.40 H new ATOM 0 HA SER A 555 -0.068 14.833 -6.109 1.00 0.44 H new ATOM 0 HB2 SER A 555 2.311 15.439 -5.617 1.00 0.51 H new ATOM 0 HB3 SER A 555 1.281 15.565 -4.204 1.00 0.51 H new ATOM 0 HG SER A 555 3.265 14.451 -3.747 1.00 0.50 H new ATOM 881 N THR A 556 1.780 12.127 -6.427 1.00 0.34 N ATOM 882 CA THR A 556 2.469 11.289 -7.397 1.00 0.32 C ATOM 883 C THR A 556 1.625 10.101 -7.855 1.00 0.27 C ATOM 884 O THR A 556 2.120 9.226 -8.571 1.00 0.28 O ATOM 885 CB THR A 556 3.790 10.763 -6.809 1.00 0.36 C ATOM 886 OG1 THR A 556 3.536 10.094 -5.568 1.00 0.34 O ATOM 887 CG2 THR A 556 4.775 11.895 -6.579 1.00 0.45 C ATOM 0 H THR A 556 1.791 11.764 -5.474 1.00 0.34 H new ATOM 0 HA THR A 556 2.663 11.919 -8.265 1.00 0.32 H new ATOM 0 HB THR A 556 4.225 10.065 -7.524 1.00 0.36 H new ATOM 0 HG1 THR A 556 2.575 9.925 -5.478 1.00 0.34 H new ATOM 0 HG21 THR A 556 5.699 11.494 -6.163 1.00 0.45 H new ATOM 0 HG22 THR A 556 4.988 12.390 -7.526 1.00 0.45 H new ATOM 0 HG23 THR A 556 4.346 12.615 -5.882 1.00 0.45 H new ATOM 895 N ASN A 557 0.355 10.079 -7.453 1.00 0.26 N ATOM 896 CA ASN A 557 -0.549 8.969 -7.779 1.00 0.26 C ATOM 897 C ASN A 557 0.003 7.662 -7.208 1.00 0.21 C ATOM 898 O ASN A 557 -0.071 6.602 -7.835 1.00 0.25 O ATOM 899 CB ASN A 557 -0.734 8.829 -9.302 1.00 0.31 C ATOM 900 CG ASN A 557 -1.204 10.106 -9.979 1.00 0.38 C ATOM 901 OD1 ASN A 557 -2.399 10.398 -10.031 1.00 1.09 O ATOM 902 ND2 ASN A 557 -0.268 10.856 -10.538 1.00 1.28 N ATOM 0 H ASN A 557 -0.076 10.819 -6.899 1.00 0.26 H new ATOM 0 HA ASN A 557 -1.520 9.184 -7.333 1.00 0.26 H new ATOM 0 HB2 ASN A 557 0.211 8.519 -9.747 1.00 0.31 H new ATOM 0 HB3 ASN A 557 -1.455 8.036 -9.500 1.00 0.31 H new ATOM 0 HD21 ASN A 557 -0.527 11.709 -11.033 1.00 1.28 H new ATOM 0 HD22 ASN A 557 0.712 10.581 -10.473 1.00 1.28 H new ATOM 909 N GLN A 558 0.550 7.755 -6.004 1.00 0.17 N ATOM 910 CA GLN A 558 1.212 6.630 -5.355 1.00 0.17 C ATOM 911 C GLN A 558 0.787 6.550 -3.897 1.00 0.16 C ATOM 912 O GLN A 558 0.129 7.456 -3.402 1.00 0.20 O ATOM 913 CB GLN A 558 2.731 6.784 -5.457 1.00 0.22 C ATOM 914 CG GLN A 558 3.255 6.726 -6.881 1.00 0.29 C ATOM 915 CD GLN A 558 4.728 7.064 -6.973 1.00 0.41 C ATOM 916 OE1 GLN A 558 5.129 7.649 -8.088 1.00 0.78 O flip ATOM 917 NE2 GLN A 558 5.494 6.808 -6.044 1.00 0.84 N flip ATOM 0 H GLN A 558 0.548 8.611 -5.449 1.00 0.17 H new ATOM 0 HA GLN A 558 0.921 5.708 -5.858 1.00 0.17 H new ATOM 0 HB2 GLN A 558 3.022 7.735 -5.010 1.00 0.22 H new ATOM 0 HB3 GLN A 558 3.207 5.998 -4.871 1.00 0.22 H new ATOM 0 HG2 GLN A 558 3.089 5.727 -7.285 1.00 0.29 H new ATOM 0 HG3 GLN A 558 2.687 7.419 -7.502 1.00 0.29 H new ATOM 0 HE21 GLN A 558 5.140 6.355 -5.201 1.00 0.84 H new ATOM 0 HE22 GLN A 558 6.483 7.049 -6.117 1.00 0.84 H new ATOM 926 N ALA A 559 1.105 5.454 -3.222 1.00 0.15 N ATOM 927 CA ALA A 559 0.751 5.306 -1.819 1.00 0.14 C ATOM 928 C ALA A 559 1.631 4.264 -1.119 1.00 0.14 C ATOM 929 O ALA A 559 2.347 3.501 -1.762 1.00 0.16 O ATOM 930 CB ALA A 559 -0.718 4.953 -1.696 1.00 0.15 C ATOM 0 H ALA A 559 1.604 4.659 -3.621 1.00 0.15 H new ATOM 0 HA ALA A 559 0.929 6.258 -1.318 1.00 0.14 H new ATOM 0 HB1 ALA A 559 -0.979 4.843 -0.643 1.00 0.15 H new ATOM 0 HB2 ALA A 559 -1.321 5.746 -2.138 1.00 0.15 H new ATOM 0 HB3 ALA A 559 -0.912 4.016 -2.218 1.00 0.15 H new ATOM 936 N PHE A 560 1.592 4.267 0.205 1.00 0.14 N ATOM 937 CA PHE A 560 2.319 3.285 1.007 1.00 0.15 C ATOM 938 C PHE A 560 1.360 2.478 1.868 1.00 0.14 C ATOM 939 O PHE A 560 0.361 3.003 2.364 1.00 0.16 O ATOM 940 CB PHE A 560 3.355 3.951 1.916 1.00 0.16 C ATOM 941 CG PHE A 560 4.513 4.579 1.196 1.00 0.20 C ATOM 942 CD1 PHE A 560 5.554 3.797 0.724 1.00 0.26 C ATOM 943 CD2 PHE A 560 4.572 5.949 1.010 1.00 0.29 C ATOM 944 CE1 PHE A 560 6.632 4.371 0.078 1.00 0.30 C ATOM 945 CE2 PHE A 560 5.647 6.528 0.364 1.00 0.35 C ATOM 946 CZ PHE A 560 6.677 5.739 -0.103 1.00 0.30 C ATOM 0 H PHE A 560 1.061 4.943 0.754 1.00 0.14 H new ATOM 0 HA PHE A 560 2.835 2.626 0.308 1.00 0.15 H new ATOM 0 HB2 PHE A 560 2.857 4.716 2.511 1.00 0.16 H new ATOM 0 HB3 PHE A 560 3.739 3.206 2.612 1.00 0.16 H new ATOM 0 HD1 PHE A 560 5.523 2.726 0.862 1.00 0.26 H new ATOM 0 HD2 PHE A 560 3.769 6.572 1.374 1.00 0.29 H new ATOM 0 HE1 PHE A 560 7.438 3.751 -0.285 1.00 0.30 H new ATOM 0 HE2 PHE A 560 5.681 7.598 0.225 1.00 0.35 H new ATOM 0 HZ PHE A 560 7.517 6.190 -0.609 1.00 0.30 H new ATOM 956 N LEU A 561 1.678 1.204 2.043 1.00 0.14 N ATOM 957 CA LEU A 561 0.866 0.308 2.851 1.00 0.14 C ATOM 958 C LEU A 561 1.757 -0.483 3.808 1.00 0.16 C ATOM 959 O LEU A 561 2.641 -1.227 3.380 1.00 0.18 O ATOM 960 CB LEU A 561 0.090 -0.640 1.926 1.00 0.15 C ATOM 961 CG LEU A 561 -0.849 -1.637 2.609 1.00 0.17 C ATOM 962 CD1 LEU A 561 -1.980 -0.906 3.318 1.00 0.19 C ATOM 963 CD2 LEU A 561 -1.400 -2.627 1.584 1.00 0.20 C ATOM 0 H LEU A 561 2.501 0.765 1.631 1.00 0.14 H new ATOM 0 HA LEU A 561 0.157 0.886 3.444 1.00 0.14 H new ATOM 0 HB2 LEU A 561 -0.497 -0.037 1.233 1.00 0.15 H new ATOM 0 HB3 LEU A 561 0.810 -1.201 1.330 1.00 0.15 H new ATOM 0 HG LEU A 561 -0.285 -2.193 3.358 1.00 0.17 H new ATOM 0 HD11 LEU A 561 -2.637 -1.631 3.798 1.00 0.19 H new ATOM 0 HD12 LEU A 561 -1.565 -0.238 4.072 1.00 0.19 H new ATOM 0 HD13 LEU A 561 -2.549 -0.325 2.592 1.00 0.19 H new ATOM 0 HD21 LEU A 561 -2.067 -3.332 2.081 1.00 0.20 H new ATOM 0 HD22 LEU A 561 -1.952 -2.086 0.815 1.00 0.20 H new ATOM 0 HD23 LEU A 561 -0.575 -3.171 1.124 1.00 0.20 H new ATOM 975 N GLU A 562 1.529 -0.308 5.100 1.00 0.17 N ATOM 976 CA GLU A 562 2.302 -1.016 6.108 1.00 0.20 C ATOM 977 C GLU A 562 1.513 -2.195 6.648 1.00 0.18 C ATOM 978 O GLU A 562 0.389 -2.048 7.135 1.00 0.18 O ATOM 979 CB GLU A 562 2.697 -0.091 7.258 1.00 0.27 C ATOM 980 CG GLU A 562 3.789 -0.670 8.147 1.00 0.57 C ATOM 981 CD GLU A 562 4.058 0.171 9.378 1.00 1.17 C ATOM 982 OE1 GLU A 562 4.826 1.150 9.271 1.00 2.09 O ATOM 983 OE2 GLU A 562 3.501 -0.136 10.452 1.00 1.21 O ATOM 0 H GLU A 562 0.816 0.317 5.475 1.00 0.17 H new ATOM 0 HA GLU A 562 3.213 -1.378 5.631 1.00 0.20 H new ATOM 0 HB2 GLU A 562 3.037 0.861 6.850 1.00 0.27 H new ATOM 0 HB3 GLU A 562 1.817 0.119 7.865 1.00 0.27 H new ATOM 0 HG2 GLU A 562 3.503 -1.675 8.456 1.00 0.57 H new ATOM 0 HG3 GLU A 562 4.709 -0.763 7.569 1.00 0.57 H new ATOM 990 N MET A 563 2.118 -3.361 6.555 1.00 0.25 N ATOM 991 CA MET A 563 1.491 -4.599 6.980 1.00 0.23 C ATOM 992 C MET A 563 2.207 -5.109 8.222 1.00 0.27 C ATOM 993 O MET A 563 3.383 -4.807 8.429 1.00 0.39 O ATOM 994 CB MET A 563 1.588 -5.617 5.847 1.00 0.25 C ATOM 995 CG MET A 563 1.124 -5.056 4.513 1.00 0.25 C ATOM 996 SD MET A 563 1.844 -5.929 3.115 1.00 0.31 S ATOM 997 CE MET A 563 1.286 -4.914 1.745 1.00 0.25 C ATOM 0 H MET A 563 3.060 -3.479 6.182 1.00 0.25 H new ATOM 0 HA MET A 563 0.440 -4.437 7.218 1.00 0.23 H new ATOM 0 HB2 MET A 563 2.620 -5.955 5.755 1.00 0.25 H new ATOM 0 HB3 MET A 563 0.987 -6.491 6.097 1.00 0.25 H new ATOM 0 HG2 MET A 563 0.037 -5.116 4.455 1.00 0.25 H new ATOM 0 HG3 MET A 563 1.389 -4.000 4.454 1.00 0.25 H new ATOM 0 HE1 MET A 563 1.564 -5.388 0.804 1.00 0.25 H new ATOM 0 HE2 MET A 563 0.202 -4.805 1.790 1.00 0.25 H new ATOM 0 HE3 MET A 563 1.752 -3.931 1.807 1.00 0.25 H new ATOM 1007 N ALA A 564 1.504 -5.887 9.032 1.00 0.28 N ATOM 1008 CA ALA A 564 1.996 -6.280 10.346 1.00 0.33 C ATOM 1009 C ALA A 564 3.111 -7.312 10.246 1.00 0.27 C ATOM 1010 O ALA A 564 3.943 -7.423 11.147 1.00 0.40 O ATOM 1011 CB ALA A 564 0.855 -6.815 11.197 1.00 0.50 C ATOM 0 H ALA A 564 0.584 -6.261 8.801 1.00 0.28 H new ATOM 0 HA ALA A 564 2.412 -5.392 10.823 1.00 0.33 H new ATOM 0 HB1 ALA A 564 1.236 -7.105 12.176 1.00 0.50 H new ATOM 0 HB2 ALA A 564 0.097 -6.041 11.317 1.00 0.50 H new ATOM 0 HB3 ALA A 564 0.413 -7.683 10.708 1.00 0.50 H new ATOM 1017 N TYR A 565 3.118 -8.064 9.153 1.00 0.27 N ATOM 1018 CA TYR A 565 4.127 -9.088 8.929 1.00 0.37 C ATOM 1019 C TYR A 565 4.576 -9.083 7.473 1.00 0.33 C ATOM 1020 O TYR A 565 3.804 -8.749 6.571 1.00 0.29 O ATOM 1021 CB TYR A 565 3.576 -10.465 9.307 1.00 0.55 C ATOM 1022 CG TYR A 565 3.365 -10.643 10.792 1.00 0.68 C ATOM 1023 CD1 TYR A 565 2.089 -10.706 11.335 1.00 0.75 C ATOM 1024 CD2 TYR A 565 4.449 -10.739 11.651 1.00 0.86 C ATOM 1025 CE1 TYR A 565 1.902 -10.861 12.696 1.00 0.90 C ATOM 1026 CE2 TYR A 565 4.271 -10.895 13.009 1.00 1.00 C ATOM 1027 CZ TYR A 565 2.999 -10.955 13.528 1.00 0.98 C ATOM 1028 OH TYR A 565 2.822 -11.111 14.884 1.00 1.15 O ATOM 0 H TYR A 565 2.431 -7.982 8.404 1.00 0.27 H new ATOM 0 HA TYR A 565 4.989 -8.869 9.559 1.00 0.37 H new ATOM 0 HB2 TYR A 565 2.628 -10.622 8.792 1.00 0.55 H new ATOM 0 HB3 TYR A 565 4.263 -11.233 8.951 1.00 0.55 H new ATOM 0 HD1 TYR A 565 1.230 -10.633 10.685 1.00 0.75 H new ATOM 0 HD2 TYR A 565 5.450 -10.691 11.249 1.00 0.86 H new ATOM 0 HE1 TYR A 565 0.904 -10.908 13.105 1.00 0.90 H new ATOM 0 HE2 TYR A 565 5.127 -10.970 13.663 1.00 1.00 H new ATOM 0 HH TYR A 565 3.696 -11.162 15.324 1.00 1.15 H new ATOM 1038 N THR A 566 5.834 -9.454 7.258 1.00 0.39 N ATOM 1039 CA THR A 566 6.420 -9.451 5.924 1.00 0.40 C ATOM 1040 C THR A 566 5.770 -10.523 5.052 1.00 0.36 C ATOM 1041 O THR A 566 5.725 -10.400 3.827 1.00 0.35 O ATOM 1042 CB THR A 566 7.963 -9.624 5.951 1.00 0.51 C ATOM 1043 OG1 THR A 566 8.529 -9.109 4.736 1.00 0.57 O ATOM 1044 CG2 THR A 566 8.371 -11.081 6.117 1.00 0.57 C ATOM 0 H THR A 566 6.469 -9.762 7.995 1.00 0.39 H new ATOM 0 HA THR A 566 6.221 -8.471 5.489 1.00 0.40 H new ATOM 0 HB THR A 566 8.340 -9.069 6.810 1.00 0.51 H new ATOM 0 HG1 THR A 566 9.503 -9.218 4.757 1.00 0.57 H new ATOM 0 HG21 THR A 566 9.458 -11.155 6.131 1.00 0.57 H new ATOM 0 HG22 THR A 566 7.969 -11.467 7.054 1.00 0.57 H new ATOM 0 HG23 THR A 566 7.978 -11.666 5.285 1.00 0.57 H new ATOM 1052 N GLU A 567 5.257 -11.566 5.703 1.00 0.38 N ATOM 1053 CA GLU A 567 4.557 -12.646 5.020 1.00 0.40 C ATOM 1054 C GLU A 567 3.392 -12.109 4.190 1.00 0.31 C ATOM 1055 O GLU A 567 3.088 -12.635 3.119 1.00 0.32 O ATOM 1056 CB GLU A 567 4.056 -13.675 6.036 1.00 0.49 C ATOM 1057 CG GLU A 567 3.001 -13.142 6.996 1.00 0.55 C ATOM 1058 CD GLU A 567 2.629 -14.154 8.057 1.00 0.71 C ATOM 1059 OE1 GLU A 567 3.211 -14.109 9.159 1.00 0.89 O ATOM 1060 OE2 GLU A 567 1.749 -15.001 7.800 1.00 0.84 O ATOM 0 H GLU A 567 5.316 -11.683 6.714 1.00 0.38 H new ATOM 0 HA GLU A 567 5.259 -13.130 4.341 1.00 0.40 H new ATOM 0 HB2 GLU A 567 3.644 -14.529 5.498 1.00 0.49 H new ATOM 0 HB3 GLU A 567 4.905 -14.042 6.614 1.00 0.49 H new ATOM 0 HG2 GLU A 567 3.373 -12.236 7.475 1.00 0.55 H new ATOM 0 HG3 GLU A 567 2.109 -12.863 6.435 1.00 0.55 H new ATOM 1067 N ALA A 568 2.774 -11.036 4.669 1.00 0.26 N ATOM 1068 CA ALA A 568 1.604 -10.481 4.016 1.00 0.24 C ATOM 1069 C ALA A 568 1.991 -9.767 2.730 1.00 0.21 C ATOM 1070 O ALA A 568 1.324 -9.906 1.711 1.00 0.22 O ATOM 1071 CB ALA A 568 0.874 -9.535 4.953 1.00 0.25 C ATOM 0 H ALA A 568 3.067 -10.536 5.508 1.00 0.26 H new ATOM 0 HA ALA A 568 0.933 -11.301 3.760 1.00 0.24 H new ATOM 0 HB1 ALA A 568 -0.002 -9.127 4.448 1.00 0.25 H new ATOM 0 HB2 ALA A 568 0.559 -10.077 5.845 1.00 0.25 H new ATOM 0 HB3 ALA A 568 1.540 -8.721 5.240 1.00 0.25 H new ATOM 1077 N ALA A 569 3.100 -9.035 2.773 1.00 0.19 N ATOM 1078 CA ALA A 569 3.511 -8.209 1.645 1.00 0.21 C ATOM 1079 C ALA A 569 3.868 -9.049 0.435 1.00 0.22 C ATOM 1080 O ALA A 569 3.436 -8.756 -0.676 1.00 0.24 O ATOM 1081 CB ALA A 569 4.689 -7.337 2.036 1.00 0.23 C ATOM 0 H ALA A 569 3.728 -8.998 3.576 1.00 0.19 H new ATOM 0 HA ALA A 569 2.665 -7.576 1.375 1.00 0.21 H new ATOM 0 HB1 ALA A 569 4.987 -6.725 1.185 1.00 0.23 H new ATOM 0 HB2 ALA A 569 4.404 -6.691 2.866 1.00 0.23 H new ATOM 0 HB3 ALA A 569 5.524 -7.968 2.339 1.00 0.23 H new ATOM 1087 N GLN A 570 4.627 -10.114 0.656 1.00 0.24 N ATOM 1088 CA GLN A 570 5.040 -10.975 -0.440 1.00 0.28 C ATOM 1089 C GLN A 570 3.833 -11.694 -1.026 1.00 0.27 C ATOM 1090 O GLN A 570 3.752 -11.901 -2.235 1.00 0.29 O ATOM 1091 CB GLN A 570 6.123 -11.968 0.000 1.00 0.34 C ATOM 1092 CG GLN A 570 5.849 -12.655 1.326 1.00 0.38 C ATOM 1093 CD GLN A 570 6.946 -13.631 1.707 1.00 0.51 C ATOM 1094 OE1 GLN A 570 7.213 -13.742 2.996 1.00 1.24 O flip ATOM 1095 NE2 GLN A 570 7.567 -14.257 0.848 1.00 1.04 N flip ATOM 0 H GLN A 570 4.966 -10.399 1.575 1.00 0.24 H new ATOM 0 HA GLN A 570 5.480 -10.350 -1.217 1.00 0.28 H new ATOM 0 HB2 GLN A 570 6.235 -12.729 -0.772 1.00 0.34 H new ATOM 0 HB3 GLN A 570 7.075 -11.441 0.069 1.00 0.34 H new ATOM 0 HG2 GLN A 570 5.748 -11.903 2.108 1.00 0.38 H new ATOM 0 HG3 GLN A 570 4.898 -13.185 1.268 1.00 0.38 H new ATOM 0 HE21 GLN A 570 7.330 -14.143 -0.137 1.00 1.04 H new ATOM 0 HE22 GLN A 570 8.319 -14.890 1.122 1.00 1.04 H new ATOM 1104 N ALA A 571 2.886 -12.046 -0.163 1.00 0.26 N ATOM 1105 CA ALA A 571 1.650 -12.672 -0.602 1.00 0.27 C ATOM 1106 C ALA A 571 0.841 -11.717 -1.480 1.00 0.25 C ATOM 1107 O ALA A 571 0.325 -12.111 -2.529 1.00 0.27 O ATOM 1108 CB ALA A 571 0.833 -13.115 0.602 1.00 0.31 C ATOM 0 H ALA A 571 2.954 -11.907 0.845 1.00 0.26 H new ATOM 0 HA ALA A 571 1.898 -13.550 -1.199 1.00 0.27 H new ATOM 0 HB1 ALA A 571 -0.091 -13.583 0.262 1.00 0.31 H new ATOM 0 HB2 ALA A 571 1.408 -13.831 1.188 1.00 0.31 H new ATOM 0 HB3 ALA A 571 0.596 -12.249 1.219 1.00 0.31 H new ATOM 1114 N MET A 572 0.749 -10.456 -1.055 1.00 0.25 N ATOM 1115 CA MET A 572 0.005 -9.451 -1.810 1.00 0.28 C ATOM 1116 C MET A 572 0.679 -9.169 -3.144 1.00 0.24 C ATOM 1117 O MET A 572 0.016 -9.131 -4.176 1.00 0.24 O ATOM 1118 CB MET A 572 -0.134 -8.141 -1.030 1.00 0.37 C ATOM 1119 CG MET A 572 -0.737 -8.306 0.350 1.00 0.47 C ATOM 1120 SD MET A 572 -1.267 -6.748 1.074 1.00 0.36 S ATOM 1121 CE MET A 572 -1.302 -7.191 2.810 1.00 0.33 C ATOM 0 H MET A 572 1.178 -10.109 -0.197 1.00 0.25 H new ATOM 0 HA MET A 572 -0.991 -9.859 -1.983 1.00 0.28 H new ATOM 0 HB2 MET A 572 0.850 -7.682 -0.933 1.00 0.37 H new ATOM 0 HB3 MET A 572 -0.752 -7.452 -1.605 1.00 0.37 H new ATOM 0 HG2 MET A 572 -1.590 -8.981 0.289 1.00 0.47 H new ATOM 0 HG3 MET A 572 -0.005 -8.775 1.007 1.00 0.47 H new ATOM 0 HE1 MET A 572 -1.509 -6.303 3.408 1.00 0.33 H new ATOM 0 HE2 MET A 572 -2.082 -7.933 2.980 1.00 0.33 H new ATOM 0 HE3 MET A 572 -0.336 -7.606 3.099 1.00 0.33 H new ATOM 1131 N VAL A 573 1.999 -8.993 -3.126 1.00 0.24 N ATOM 1132 CA VAL A 573 2.736 -8.688 -4.349 1.00 0.27 C ATOM 1133 C VAL A 573 2.528 -9.791 -5.381 1.00 0.25 C ATOM 1134 O VAL A 573 2.200 -9.513 -6.529 1.00 0.28 O ATOM 1135 CB VAL A 573 4.250 -8.499 -4.086 1.00 0.31 C ATOM 1136 CG1 VAL A 573 5.008 -8.297 -5.392 1.00 0.34 C ATOM 1137 CG2 VAL A 573 4.488 -7.317 -3.158 1.00 0.32 C ATOM 0 H VAL A 573 2.575 -9.056 -2.286 1.00 0.24 H new ATOM 0 HA VAL A 573 2.345 -7.746 -4.733 1.00 0.27 H new ATOM 0 HB VAL A 573 4.622 -9.404 -3.606 1.00 0.31 H new ATOM 0 HG11 VAL A 573 6.069 -8.167 -5.180 1.00 0.34 H new ATOM 0 HG12 VAL A 573 4.870 -9.169 -6.031 1.00 0.34 H new ATOM 0 HG13 VAL A 573 4.628 -7.411 -5.900 1.00 0.34 H new ATOM 0 HG21 VAL A 573 5.558 -7.200 -2.985 1.00 0.32 H new ATOM 0 HG22 VAL A 573 4.093 -6.410 -3.616 1.00 0.32 H new ATOM 0 HG23 VAL A 573 3.984 -7.493 -2.208 1.00 0.32 H new ATOM 1147 N GLN A 574 2.656 -11.041 -4.949 1.00 0.23 N ATOM 1148 CA GLN A 574 2.449 -12.178 -5.841 1.00 0.25 C ATOM 1149 C GLN A 574 1.030 -12.183 -6.387 1.00 0.23 C ATOM 1150 O GLN A 574 0.798 -12.519 -7.549 1.00 0.26 O ATOM 1151 CB GLN A 574 2.704 -13.490 -5.105 1.00 0.28 C ATOM 1152 CG GLN A 574 4.152 -13.705 -4.706 1.00 0.33 C ATOM 1153 CD GLN A 574 4.363 -15.018 -3.979 1.00 1.30 C ATOM 1154 OE1 GLN A 574 3.350 -15.467 -3.251 1.00 2.04 O flip ATOM 1155 NE2 GLN A 574 5.432 -15.621 -4.069 1.00 2.09 N flip ATOM 0 H GLN A 574 2.901 -11.293 -3.991 1.00 0.23 H new ATOM 0 HA GLN A 574 3.152 -12.083 -6.668 1.00 0.25 H new ATOM 0 HB2 GLN A 574 2.083 -13.518 -4.209 1.00 0.28 H new ATOM 0 HB3 GLN A 574 2.386 -14.318 -5.739 1.00 0.28 H new ATOM 0 HG2 GLN A 574 4.779 -13.682 -5.597 1.00 0.33 H new ATOM 0 HG3 GLN A 574 4.476 -12.883 -4.067 1.00 0.33 H new ATOM 0 HE21 GLN A 574 6.186 -15.240 -4.640 1.00 2.09 H new ATOM 0 HE22 GLN A 574 5.564 -16.502 -3.572 1.00 2.09 H new ATOM 1164 N TYR A 575 0.086 -11.811 -5.538 1.00 0.20 N ATOM 1165 CA TYR A 575 -1.312 -11.797 -5.925 1.00 0.20 C ATOM 1166 C TYR A 575 -1.581 -10.699 -6.945 1.00 0.20 C ATOM 1167 O TYR A 575 -2.118 -10.961 -8.009 1.00 0.22 O ATOM 1168 CB TYR A 575 -2.211 -11.611 -4.701 1.00 0.20 C ATOM 1169 CG TYR A 575 -3.685 -11.554 -5.037 1.00 0.22 C ATOM 1170 CD1 TYR A 575 -4.362 -10.342 -5.080 1.00 0.26 C ATOM 1171 CD2 TYR A 575 -4.395 -12.712 -5.321 1.00 0.33 C ATOM 1172 CE1 TYR A 575 -5.704 -10.286 -5.393 1.00 0.34 C ATOM 1173 CE2 TYR A 575 -5.739 -12.664 -5.635 1.00 0.40 C ATOM 1174 CZ TYR A 575 -6.388 -11.450 -5.670 1.00 0.39 C ATOM 1175 OH TYR A 575 -7.724 -11.398 -5.986 1.00 0.48 O ATOM 0 H TYR A 575 0.264 -11.515 -4.578 1.00 0.20 H new ATOM 0 HA TYR A 575 -1.542 -12.759 -6.383 1.00 0.20 H new ATOM 0 HB2 TYR A 575 -2.037 -12.431 -4.004 1.00 0.20 H new ATOM 0 HB3 TYR A 575 -1.928 -10.692 -4.188 1.00 0.20 H new ATOM 0 HD1 TYR A 575 -3.829 -9.428 -4.865 1.00 0.26 H new ATOM 0 HD2 TYR A 575 -3.889 -13.666 -5.296 1.00 0.33 H new ATOM 0 HE1 TYR A 575 -6.216 -9.335 -5.421 1.00 0.34 H new ATOM 0 HE2 TYR A 575 -6.278 -13.574 -5.852 1.00 0.40 H new ATOM 0 HH TYR A 575 -8.056 -12.305 -6.155 1.00 0.48 H new ATOM 1185 N TYR A 576 -1.183 -9.476 -6.618 1.00 0.21 N ATOM 1186 CA TYR A 576 -1.466 -8.318 -7.464 1.00 0.25 C ATOM 1187 C TYR A 576 -0.585 -8.259 -8.710 1.00 0.30 C ATOM 1188 O TYR A 576 -0.853 -7.483 -9.628 1.00 0.34 O ATOM 1189 CB TYR A 576 -1.365 -7.027 -6.651 1.00 0.28 C ATOM 1190 CG TYR A 576 -2.431 -6.939 -5.581 1.00 0.26 C ATOM 1191 CD1 TYR A 576 -3.749 -6.657 -5.913 1.00 0.32 C ATOM 1192 CD2 TYR A 576 -2.126 -7.163 -4.248 1.00 0.32 C ATOM 1193 CE1 TYR A 576 -4.730 -6.601 -4.944 1.00 0.31 C ATOM 1194 CE2 TYR A 576 -3.099 -7.105 -3.272 1.00 0.36 C ATOM 1195 CZ TYR A 576 -4.400 -6.825 -3.626 1.00 0.29 C ATOM 1196 OH TYR A 576 -5.377 -6.779 -2.663 1.00 0.35 O ATOM 0 H TYR A 576 -0.661 -9.257 -5.770 1.00 0.21 H new ATOM 0 HA TYR A 576 -2.489 -8.429 -7.824 1.00 0.25 H new ATOM 0 HB2 TYR A 576 -0.381 -6.969 -6.186 1.00 0.28 H new ATOM 0 HB3 TYR A 576 -1.453 -6.171 -7.320 1.00 0.28 H new ATOM 0 HD1 TYR A 576 -4.011 -6.479 -6.946 1.00 0.32 H new ATOM 0 HD2 TYR A 576 -1.107 -7.387 -3.968 1.00 0.32 H new ATOM 0 HE1 TYR A 576 -5.752 -6.383 -5.218 1.00 0.31 H new ATOM 0 HE2 TYR A 576 -2.842 -7.278 -2.237 1.00 0.36 H new ATOM 0 HH TYR A 576 -4.968 -6.601 -1.790 1.00 0.35 H new ATOM 1206 N GLN A 577 0.470 -9.054 -8.743 1.00 0.31 N ATOM 1207 CA GLN A 577 1.250 -9.188 -9.964 1.00 0.38 C ATOM 1208 C GLN A 577 0.485 -10.030 -10.976 1.00 0.37 C ATOM 1209 O GLN A 577 0.440 -9.703 -12.164 1.00 0.42 O ATOM 1210 CB GLN A 577 2.626 -9.798 -9.692 1.00 0.45 C ATOM 1211 CG GLN A 577 3.599 -8.841 -9.016 1.00 0.52 C ATOM 1212 CD GLN A 577 4.011 -7.677 -9.900 1.00 1.04 C ATOM 1213 OE1 GLN A 577 3.251 -7.216 -10.756 1.00 1.89 O ATOM 1214 NE2 GLN A 577 5.229 -7.199 -9.710 1.00 1.57 N ATOM 0 H GLN A 577 0.803 -9.608 -7.954 1.00 0.31 H new ATOM 0 HA GLN A 577 1.411 -8.190 -10.373 1.00 0.38 H new ATOM 0 HB2 GLN A 577 2.504 -10.681 -9.065 1.00 0.45 H new ATOM 0 HB3 GLN A 577 3.057 -10.134 -10.635 1.00 0.45 H new ATOM 0 HG2 GLN A 577 3.142 -8.453 -8.106 1.00 0.52 H new ATOM 0 HG3 GLN A 577 4.490 -9.392 -8.715 1.00 0.52 H new ATOM 0 HE21 GLN A 577 5.830 -7.605 -8.993 1.00 1.57 H new ATOM 0 HE22 GLN A 577 5.568 -6.424 -10.281 1.00 1.57 H new ATOM 1223 N GLU A 578 -0.135 -11.104 -10.500 1.00 0.35 N ATOM 1224 CA GLU A 578 -0.918 -11.971 -11.371 1.00 0.38 C ATOM 1225 C GLU A 578 -2.337 -11.429 -11.540 1.00 0.33 C ATOM 1226 O GLU A 578 -2.896 -11.463 -12.634 1.00 0.36 O ATOM 1227 CB GLU A 578 -0.972 -13.386 -10.795 1.00 0.42 C ATOM 1228 CG GLU A 578 0.396 -13.981 -10.492 1.00 0.52 C ATOM 1229 CD GLU A 578 1.289 -14.060 -11.710 1.00 1.24 C ATOM 1230 OE1 GLU A 578 2.327 -13.365 -11.740 1.00 2.14 O ATOM 1231 OE2 GLU A 578 0.957 -14.817 -12.645 1.00 1.31 O ATOM 0 H GLU A 578 -0.111 -11.393 -9.522 1.00 0.35 H new ATOM 0 HA GLU A 578 -0.436 -11.998 -12.348 1.00 0.38 H new ATOM 0 HB2 GLU A 578 -1.563 -13.373 -9.879 1.00 0.42 H new ATOM 0 HB3 GLU A 578 -1.492 -14.035 -11.500 1.00 0.42 H new ATOM 0 HG2 GLU A 578 0.887 -13.379 -9.727 1.00 0.52 H new ATOM 0 HG3 GLU A 578 0.267 -14.981 -10.077 1.00 0.52 H new ATOM 1238 N LYS A 579 -2.904 -10.909 -10.455 1.00 0.29 N ATOM 1239 CA LYS A 579 -4.224 -10.290 -10.475 1.00 0.28 C ATOM 1240 C LYS A 579 -4.181 -8.928 -9.789 1.00 0.25 C ATOM 1241 O LYS A 579 -4.371 -8.832 -8.573 1.00 0.24 O ATOM 1242 CB LYS A 579 -5.252 -11.162 -9.750 1.00 0.31 C ATOM 1243 CG LYS A 579 -5.577 -12.471 -10.446 1.00 0.42 C ATOM 1244 CD LYS A 579 -6.654 -13.240 -9.691 1.00 0.69 C ATOM 1245 CE LYS A 579 -7.948 -12.441 -9.588 1.00 1.69 C ATOM 1246 NZ LYS A 579 -9.002 -13.175 -8.842 1.00 2.46 N ATOM 0 H LYS A 579 -2.460 -10.905 -9.537 1.00 0.29 H new ATOM 0 HA LYS A 579 -4.516 -10.177 -11.519 1.00 0.28 H new ATOM 0 HB2 LYS A 579 -4.881 -11.381 -8.749 1.00 0.31 H new ATOM 0 HB3 LYS A 579 -6.173 -10.591 -9.631 1.00 0.31 H new ATOM 0 HG2 LYS A 579 -5.913 -12.272 -11.463 1.00 0.42 H new ATOM 0 HG3 LYS A 579 -4.676 -13.080 -10.522 1.00 0.42 H new ATOM 0 HD2 LYS A 579 -6.849 -14.185 -10.197 1.00 0.69 H new ATOM 0 HD3 LYS A 579 -6.295 -13.482 -8.691 1.00 0.69 H new ATOM 0 HE2 LYS A 579 -7.748 -11.491 -9.092 1.00 1.69 H new ATOM 0 HE3 LYS A 579 -8.310 -12.207 -10.589 1.00 1.69 H new ATOM 0 HZ1 LYS A 579 -9.864 -12.594 -8.797 1.00 2.46 H new ATOM 0 HZ2 LYS A 579 -9.213 -14.070 -9.329 1.00 2.46 H new ATOM 0 HZ3 LYS A 579 -8.669 -13.376 -7.877 1.00 2.46 H new ATOM 1260 N PRO A 580 -3.933 -7.861 -10.552 1.00 0.26 N ATOM 1261 CA PRO A 580 -3.867 -6.501 -10.012 1.00 0.25 C ATOM 1262 C PRO A 580 -5.239 -5.971 -9.602 1.00 0.22 C ATOM 1263 O PRO A 580 -6.278 -6.499 -10.016 1.00 0.22 O ATOM 1264 CB PRO A 580 -3.301 -5.685 -11.171 1.00 0.27 C ATOM 1265 CG PRO A 580 -3.698 -6.435 -12.394 1.00 0.37 C ATOM 1266 CD PRO A 580 -3.705 -7.889 -12.008 1.00 0.32 C ATOM 0 HA PRO A 580 -3.263 -6.452 -9.106 1.00 0.25 H new ATOM 0 HB2 PRO A 580 -3.707 -4.674 -11.178 1.00 0.27 H new ATOM 0 HB3 PRO A 580 -2.217 -5.593 -11.098 1.00 0.27 H new ATOM 0 HG2 PRO A 580 -4.681 -6.120 -12.742 1.00 0.37 H new ATOM 0 HG3 PRO A 580 -2.997 -6.251 -13.208 1.00 0.37 H new ATOM 0 HD2 PRO A 580 -4.492 -8.437 -12.526 1.00 0.32 H new ATOM 0 HD3 PRO A 580 -2.761 -8.374 -12.257 1.00 0.32 H new ATOM 1274 N ALA A 581 -5.241 -4.930 -8.782 1.00 0.22 N ATOM 1275 CA ALA A 581 -6.483 -4.321 -8.341 1.00 0.22 C ATOM 1276 C ALA A 581 -6.854 -3.186 -9.279 1.00 0.20 C ATOM 1277 O ALA A 581 -6.000 -2.395 -9.660 1.00 0.19 O ATOM 1278 CB ALA A 581 -6.344 -3.805 -6.919 1.00 0.27 C ATOM 0 H ALA A 581 -4.398 -4.492 -8.411 1.00 0.22 H new ATOM 0 HA ALA A 581 -7.273 -5.072 -8.357 1.00 0.22 H new ATOM 0 HB1 ALA A 581 -7.283 -3.351 -6.603 1.00 0.27 H new ATOM 0 HB2 ALA A 581 -6.099 -4.633 -6.254 1.00 0.27 H new ATOM 0 HB3 ALA A 581 -5.550 -3.060 -6.878 1.00 0.27 H new ATOM 1284 N ILE A 582 -8.114 -3.122 -9.669 1.00 0.23 N ATOM 1285 CA ILE A 582 -8.550 -2.130 -10.640 1.00 0.26 C ATOM 1286 C ILE A 582 -9.182 -0.930 -9.952 1.00 0.28 C ATOM 1287 O ILE A 582 -10.129 -1.075 -9.179 1.00 0.33 O ATOM 1288 CB ILE A 582 -9.570 -2.721 -11.635 1.00 0.35 C ATOM 1289 CG1 ILE A 582 -9.045 -4.034 -12.225 1.00 0.39 C ATOM 1290 CG2 ILE A 582 -9.868 -1.719 -12.743 1.00 0.39 C ATOM 1291 CD1 ILE A 582 -10.017 -4.708 -13.171 1.00 0.51 C ATOM 0 H ILE A 582 -8.851 -3.741 -9.332 1.00 0.23 H new ATOM 0 HA ILE A 582 -7.660 -1.814 -11.184 1.00 0.26 H new ATOM 0 HB ILE A 582 -10.496 -2.932 -11.100 1.00 0.35 H new ATOM 0 HG12 ILE A 582 -8.113 -3.837 -12.755 1.00 0.39 H new ATOM 0 HG13 ILE A 582 -8.810 -4.719 -11.411 1.00 0.39 H new ATOM 0 HG21 ILE A 582 -10.589 -2.149 -13.438 1.00 0.39 H new ATOM 0 HG22 ILE A 582 -10.281 -0.808 -12.309 1.00 0.39 H new ATOM 0 HG23 ILE A 582 -8.947 -1.482 -13.276 1.00 0.39 H new ATOM 0 HD11 ILE A 582 -9.577 -5.631 -13.549 1.00 0.51 H new ATOM 0 HD12 ILE A 582 -10.941 -4.938 -12.640 1.00 0.51 H new ATOM 0 HD13 ILE A 582 -10.234 -4.041 -14.006 1.00 0.51 H new ATOM 1303 N ILE A 583 -8.653 0.251 -10.228 1.00 0.28 N ATOM 1304 CA ILE A 583 -9.241 1.485 -9.736 1.00 0.33 C ATOM 1305 C ILE A 583 -9.390 2.476 -10.879 1.00 0.36 C ATOM 1306 O ILE A 583 -8.397 2.941 -11.440 1.00 0.35 O ATOM 1307 CB ILE A 583 -8.400 2.131 -8.610 1.00 0.32 C ATOM 1308 CG1 ILE A 583 -8.417 1.270 -7.344 1.00 0.32 C ATOM 1309 CG2 ILE A 583 -8.913 3.529 -8.303 1.00 0.38 C ATOM 1310 CD1 ILE A 583 -9.784 1.145 -6.707 1.00 0.51 C ATOM 0 H ILE A 583 -7.814 0.381 -10.793 1.00 0.28 H new ATOM 0 HA ILE A 583 -10.216 1.232 -9.320 1.00 0.33 H new ATOM 0 HB ILE A 583 -7.369 2.201 -8.957 1.00 0.32 H new ATOM 0 HG12 ILE A 583 -8.048 0.274 -7.589 1.00 0.32 H new ATOM 0 HG13 ILE A 583 -7.726 1.696 -6.617 1.00 0.32 H new ATOM 0 HG21 ILE A 583 -8.311 3.971 -7.509 1.00 0.38 H new ATOM 0 HG22 ILE A 583 -8.843 4.147 -9.198 1.00 0.38 H new ATOM 0 HG23 ILE A 583 -9.953 3.473 -7.982 1.00 0.38 H new ATOM 0 HD11 ILE A 583 -9.715 0.521 -5.816 1.00 0.51 H new ATOM 0 HD12 ILE A 583 -10.148 2.134 -6.429 1.00 0.51 H new ATOM 0 HD13 ILE A 583 -10.476 0.690 -7.416 1.00 0.51 H new ATOM 1322 N ASN A 584 -10.637 2.764 -11.238 1.00 0.41 N ATOM 1323 CA ASN A 584 -10.954 3.738 -12.286 1.00 0.47 C ATOM 1324 C ASN A 584 -10.295 3.348 -13.601 1.00 0.45 C ATOM 1325 O ASN A 584 -9.892 4.202 -14.393 1.00 0.50 O ATOM 1326 CB ASN A 584 -10.529 5.160 -11.889 1.00 0.55 C ATOM 1327 CG ASN A 584 -11.355 5.745 -10.754 1.00 0.62 C ATOM 1328 OD1 ASN A 584 -11.612 6.946 -10.720 1.00 1.10 O ATOM 1329 ND2 ASN A 584 -11.755 4.917 -9.804 1.00 0.91 N ATOM 0 H ASN A 584 -11.458 2.332 -10.814 1.00 0.41 H new ATOM 0 HA ASN A 584 -12.036 3.733 -12.414 1.00 0.47 H new ATOM 0 HB2 ASN A 584 -9.479 5.148 -11.595 1.00 0.55 H new ATOM 0 HB3 ASN A 584 -10.609 5.811 -12.759 1.00 0.55 H new ATOM 0 HD21 ASN A 584 -12.294 5.270 -9.013 1.00 0.91 H new ATOM 0 HD22 ASN A 584 -11.525 3.925 -9.862 1.00 0.91 H new ATOM 1336 N GLY A 585 -10.190 2.046 -13.820 1.00 0.42 N ATOM 1337 CA GLY A 585 -9.636 1.537 -15.053 1.00 0.44 C ATOM 1338 C GLY A 585 -8.123 1.415 -15.041 1.00 0.39 C ATOM 1339 O GLY A 585 -7.524 1.097 -16.067 1.00 0.42 O ATOM 0 H GLY A 585 -10.482 1.328 -13.157 1.00 0.42 H new ATOM 0 HA2 GLY A 585 -10.068 0.558 -15.258 1.00 0.44 H new ATOM 0 HA3 GLY A 585 -9.932 2.193 -15.871 1.00 0.44 H new ATOM 1343 N GLU A 586 -7.494 1.670 -13.899 1.00 0.35 N ATOM 1344 CA GLU A 586 -6.047 1.511 -13.780 1.00 0.32 C ATOM 1345 C GLU A 586 -5.696 0.378 -12.819 1.00 0.24 C ATOM 1346 O GLU A 586 -6.208 0.321 -11.699 1.00 0.26 O ATOM 1347 CB GLU A 586 -5.390 2.813 -13.320 1.00 0.43 C ATOM 1348 CG GLU A 586 -5.460 3.924 -14.355 1.00 0.57 C ATOM 1349 CD GLU A 586 -4.662 5.146 -13.955 1.00 0.91 C ATOM 1350 OE1 GLU A 586 -3.414 5.071 -13.942 1.00 0.90 O ATOM 1351 OE2 GLU A 586 -5.271 6.200 -13.676 1.00 1.79 O ATOM 0 H GLU A 586 -7.958 1.986 -13.047 1.00 0.35 H new ATOM 0 HA GLU A 586 -5.662 1.257 -14.768 1.00 0.32 H new ATOM 0 HB2 GLU A 586 -5.873 3.150 -12.403 1.00 0.43 H new ATOM 0 HB3 GLU A 586 -4.345 2.618 -13.077 1.00 0.43 H new ATOM 0 HG2 GLU A 586 -5.090 3.550 -15.309 1.00 0.57 H new ATOM 0 HG3 GLU A 586 -6.501 4.209 -14.507 1.00 0.57 H new ATOM 1358 N LYS A 587 -4.858 -0.543 -13.286 1.00 0.21 N ATOM 1359 CA LYS A 587 -4.374 -1.647 -12.458 1.00 0.19 C ATOM 1360 C LYS A 587 -3.347 -1.155 -11.439 1.00 0.17 C ATOM 1361 O LYS A 587 -2.355 -0.519 -11.804 1.00 0.22 O ATOM 1362 CB LYS A 587 -3.725 -2.729 -13.327 1.00 0.23 C ATOM 1363 CG LYS A 587 -4.573 -3.201 -14.498 1.00 0.33 C ATOM 1364 CD LYS A 587 -5.972 -3.607 -14.066 1.00 1.14 C ATOM 1365 CE LYS A 587 -6.745 -4.244 -15.211 1.00 1.10 C ATOM 1366 NZ LYS A 587 -6.773 -3.379 -16.421 1.00 1.67 N ATOM 0 H LYS A 587 -4.497 -0.547 -14.240 1.00 0.21 H new ATOM 0 HA LYS A 587 -5.234 -2.064 -11.933 1.00 0.19 H new ATOM 0 HB2 LYS A 587 -2.780 -2.347 -13.712 1.00 0.23 H new ATOM 0 HB3 LYS A 587 -3.489 -3.587 -12.698 1.00 0.23 H new ATOM 0 HG2 LYS A 587 -4.640 -2.405 -15.240 1.00 0.33 H new ATOM 0 HG3 LYS A 587 -4.084 -4.047 -14.981 1.00 0.33 H new ATOM 0 HD2 LYS A 587 -5.908 -4.308 -13.234 1.00 1.14 H new ATOM 0 HD3 LYS A 587 -6.511 -2.731 -13.704 1.00 1.14 H new ATOM 0 HE2 LYS A 587 -6.293 -5.203 -15.463 1.00 1.10 H new ATOM 0 HE3 LYS A 587 -7.766 -4.448 -14.889 1.00 1.10 H new ATOM 0 HZ1 LYS A 587 -7.420 -3.788 -17.125 1.00 1.67 H new ATOM 0 HZ2 LYS A 587 -7.102 -2.428 -16.160 1.00 1.67 H new ATOM 0 HZ3 LYS A 587 -5.817 -3.316 -16.825 1.00 1.67 H new ATOM 1380 N LEU A 588 -3.578 -1.468 -10.171 1.00 0.15 N ATOM 1381 CA LEU A 588 -2.688 -1.046 -9.096 1.00 0.15 C ATOM 1382 C LEU A 588 -1.498 -1.991 -8.963 1.00 0.17 C ATOM 1383 O LEU A 588 -1.643 -3.210 -9.070 1.00 0.21 O ATOM 1384 CB LEU A 588 -3.448 -1.003 -7.770 1.00 0.16 C ATOM 1385 CG LEU A 588 -4.754 -0.209 -7.793 1.00 0.18 C ATOM 1386 CD1 LEU A 588 -5.364 -0.154 -6.405 1.00 0.24 C ATOM 1387 CD2 LEU A 588 -4.524 1.190 -8.331 1.00 0.16 C ATOM 0 H LEU A 588 -4.380 -2.016 -9.860 1.00 0.15 H new ATOM 0 HA LEU A 588 -2.318 -0.051 -9.341 1.00 0.15 H new ATOM 0 HB2 LEU A 588 -3.669 -2.025 -7.463 1.00 0.16 H new ATOM 0 HB3 LEU A 588 -2.795 -0.575 -7.009 1.00 0.16 H new ATOM 0 HG LEU A 588 -5.452 -0.717 -8.458 1.00 0.18 H new ATOM 0 HD11 LEU A 588 -6.293 0.415 -6.438 1.00 0.24 H new ATOM 0 HD12 LEU A 588 -5.570 -1.166 -6.058 1.00 0.24 H new ATOM 0 HD13 LEU A 588 -4.667 0.329 -5.720 1.00 0.24 H new ATOM 0 HD21 LEU A 588 -5.467 1.737 -8.338 1.00 0.16 H new ATOM 0 HD22 LEU A 588 -3.808 1.711 -7.696 1.00 0.16 H new ATOM 0 HD23 LEU A 588 -4.132 1.130 -9.346 1.00 0.16 H new ATOM 1399 N LEU A 589 -0.332 -1.415 -8.721 1.00 0.17 N ATOM 1400 CA LEU A 589 0.893 -2.188 -8.573 1.00 0.19 C ATOM 1401 C LEU A 589 1.427 -2.093 -7.144 1.00 0.18 C ATOM 1402 O LEU A 589 1.817 -1.015 -6.693 1.00 0.18 O ATOM 1403 CB LEU A 589 1.944 -1.694 -9.571 1.00 0.23 C ATOM 1404 CG LEU A 589 3.296 -2.405 -9.513 1.00 0.30 C ATOM 1405 CD1 LEU A 589 3.139 -3.881 -9.832 1.00 0.37 C ATOM 1406 CD2 LEU A 589 4.276 -1.757 -10.478 1.00 0.38 C ATOM 0 H LEU A 589 -0.207 -0.408 -8.622 1.00 0.17 H new ATOM 0 HA LEU A 589 0.671 -3.235 -8.780 1.00 0.19 H new ATOM 0 HB2 LEU A 589 1.541 -1.800 -10.578 1.00 0.23 H new ATOM 0 HB3 LEU A 589 2.106 -0.629 -9.403 1.00 0.23 H new ATOM 0 HG LEU A 589 3.690 -2.312 -8.501 1.00 0.30 H new ATOM 0 HD11 LEU A 589 4.113 -4.369 -9.785 1.00 0.37 H new ATOM 0 HD12 LEU A 589 2.468 -4.341 -9.107 1.00 0.37 H new ATOM 0 HD13 LEU A 589 2.724 -3.995 -10.833 1.00 0.37 H new ATOM 0 HD21 LEU A 589 5.234 -2.274 -10.425 1.00 0.38 H new ATOM 0 HD22 LEU A 589 3.884 -1.822 -11.493 1.00 0.38 H new ATOM 0 HD23 LEU A 589 4.414 -0.710 -10.208 1.00 0.38 H new ATOM 1418 N ILE A 590 1.427 -3.212 -6.430 1.00 0.18 N ATOM 1419 CA ILE A 590 1.994 -3.263 -5.086 1.00 0.18 C ATOM 1420 C ILE A 590 3.393 -3.873 -5.126 1.00 0.20 C ATOM 1421 O ILE A 590 3.591 -4.947 -5.695 1.00 0.26 O ATOM 1422 CB ILE A 590 1.095 -4.070 -4.117 1.00 0.19 C ATOM 1423 CG1 ILE A 590 -0.315 -3.463 -4.076 1.00 0.19 C ATOM 1424 CG2 ILE A 590 1.706 -4.111 -2.722 1.00 0.19 C ATOM 1425 CD1 ILE A 590 -1.230 -4.071 -3.031 1.00 0.21 C ATOM 0 H ILE A 590 1.041 -4.097 -6.758 1.00 0.18 H new ATOM 0 HA ILE A 590 2.055 -2.240 -4.715 1.00 0.18 H new ATOM 0 HB ILE A 590 1.022 -5.095 -4.482 1.00 0.19 H new ATOM 0 HG12 ILE A 590 -0.231 -2.393 -3.889 1.00 0.19 H new ATOM 0 HG13 ILE A 590 -0.776 -3.580 -5.057 1.00 0.19 H new ATOM 0 HG21 ILE A 590 1.058 -4.683 -2.058 1.00 0.19 H new ATOM 0 HG22 ILE A 590 2.687 -4.584 -2.768 1.00 0.19 H new ATOM 0 HG23 ILE A 590 1.811 -3.095 -2.341 1.00 0.19 H new ATOM 0 HD11 ILE A 590 -2.204 -3.583 -3.072 1.00 0.21 H new ATOM 0 HD12 ILE A 590 -1.349 -5.137 -3.227 1.00 0.21 H new ATOM 0 HD13 ILE A 590 -0.796 -3.931 -2.041 1.00 0.21 H new ATOM 1437 N ARG A 591 4.358 -3.180 -4.527 1.00 0.18 N ATOM 1438 CA ARG A 591 5.755 -3.608 -4.543 1.00 0.22 C ATOM 1439 C ARG A 591 6.450 -3.222 -3.242 1.00 0.18 C ATOM 1440 O ARG A 591 6.001 -2.328 -2.529 1.00 0.19 O ATOM 1441 CB ARG A 591 6.509 -2.962 -5.711 1.00 0.33 C ATOM 1442 CG ARG A 591 6.106 -3.481 -7.080 1.00 0.45 C ATOM 1443 CD ARG A 591 6.928 -2.830 -8.182 1.00 0.65 C ATOM 1444 NE ARG A 591 8.362 -3.078 -8.022 1.00 1.33 N ATOM 1445 CZ ARG A 591 9.315 -2.399 -8.663 1.00 1.69 C ATOM 1446 NH1 ARG A 591 8.991 -1.441 -9.523 1.00 1.56 N ATOM 1447 NH2 ARG A 591 10.592 -2.689 -8.453 1.00 2.62 N ATOM 0 H ARG A 591 4.196 -2.310 -4.019 1.00 0.18 H new ATOM 0 HA ARG A 591 5.764 -4.692 -4.658 1.00 0.22 H new ATOM 0 HB2 ARG A 591 6.346 -1.885 -5.682 1.00 0.33 H new ATOM 0 HB3 ARG A 591 7.578 -3.127 -5.573 1.00 0.33 H new ATOM 0 HG2 ARG A 591 6.239 -4.562 -7.115 1.00 0.45 H new ATOM 0 HG3 ARG A 591 5.047 -3.284 -7.249 1.00 0.45 H new ATOM 0 HD2 ARG A 591 6.601 -3.210 -9.150 1.00 0.65 H new ATOM 0 HD3 ARG A 591 6.745 -1.756 -8.183 1.00 0.65 H new ATOM 0 HE ARG A 591 8.651 -3.816 -7.380 1.00 1.33 H new ATOM 0 HH11 ARG A 591 8.010 -1.221 -9.696 1.00 1.56 H new ATOM 0 HH12 ARG A 591 9.723 -0.925 -10.011 1.00 1.56 H new ATOM 0 HH21 ARG A 591 10.846 -3.431 -7.801 1.00 2.62 H new ATOM 0 HH22 ARG A 591 11.320 -2.170 -8.943 1.00 2.62 H new ATOM 1461 N MET A 592 7.548 -3.895 -2.938 1.00 0.17 N ATOM 1462 CA MET A 592 8.344 -3.558 -1.766 1.00 0.18 C ATOM 1463 C MET A 592 9.290 -2.411 -2.094 1.00 0.21 C ATOM 1464 O MET A 592 10.010 -2.463 -3.091 1.00 0.29 O ATOM 1465 CB MET A 592 9.141 -4.763 -1.269 1.00 0.19 C ATOM 1466 CG MET A 592 8.281 -5.869 -0.688 1.00 0.22 C ATOM 1467 SD MET A 592 9.252 -7.075 0.232 1.00 0.29 S ATOM 1468 CE MET A 592 7.978 -8.238 0.708 1.00 0.34 C ATOM 0 H MET A 592 7.909 -4.677 -3.485 1.00 0.17 H new ATOM 0 HA MET A 592 7.662 -3.253 -0.972 1.00 0.18 H new ATOM 0 HB2 MET A 592 9.725 -5.166 -2.096 1.00 0.19 H new ATOM 0 HB3 MET A 592 9.850 -4.430 -0.511 1.00 0.19 H new ATOM 0 HG2 MET A 592 7.528 -5.434 -0.031 1.00 0.22 H new ATOM 0 HG3 MET A 592 7.748 -6.373 -1.494 1.00 0.22 H new ATOM 0 HE1 MET A 592 8.002 -8.382 1.788 1.00 0.34 H new ATOM 0 HE2 MET A 592 7.003 -7.849 0.415 1.00 0.34 H new ATOM 0 HE3 MET A 592 8.152 -9.192 0.211 1.00 0.34 H new ATOM 1478 N SER A 593 9.288 -1.377 -1.259 1.00 0.23 N ATOM 1479 CA SER A 593 10.106 -0.198 -1.510 1.00 0.26 C ATOM 1480 C SER A 593 11.590 -0.521 -1.446 1.00 0.25 C ATOM 1481 O SER A 593 12.074 -1.131 -0.488 1.00 0.27 O ATOM 1482 CB SER A 593 9.782 0.907 -0.512 1.00 0.34 C ATOM 1483 OG SER A 593 10.564 2.067 -0.753 1.00 1.37 O ATOM 0 H SER A 593 8.731 -1.332 -0.406 1.00 0.23 H new ATOM 0 HA SER A 593 9.872 0.146 -2.517 1.00 0.26 H new ATOM 0 HB2 SER A 593 8.724 1.160 -0.577 1.00 0.34 H new ATOM 0 HB3 SER A 593 9.962 0.549 0.501 1.00 0.34 H new ATOM 0 HG SER A 593 10.333 2.759 -0.099 1.00 1.37 H new ATOM 1489 N THR A 594 12.291 -0.096 -2.477 1.00 0.27 N ATOM 1490 CA THR A 594 13.721 -0.293 -2.568 1.00 0.30 C ATOM 1491 C THR A 594 14.492 0.871 -1.950 1.00 0.31 C ATOM 1492 O THR A 594 15.697 0.779 -1.740 1.00 0.33 O ATOM 1493 CB THR A 594 14.150 -0.492 -4.034 1.00 0.35 C ATOM 1494 OG1 THR A 594 13.539 0.503 -4.867 1.00 0.38 O ATOM 1495 CG2 THR A 594 13.764 -1.876 -4.526 1.00 0.38 C ATOM 0 H THR A 594 11.885 0.395 -3.274 1.00 0.27 H new ATOM 0 HA THR A 594 13.961 -1.193 -2.002 1.00 0.30 H new ATOM 0 HB THR A 594 15.234 -0.392 -4.087 1.00 0.35 H new ATOM 0 HG1 THR A 594 13.819 0.369 -5.796 1.00 0.38 H new ATOM 0 HG21 THR A 594 14.077 -1.994 -5.563 1.00 0.38 H new ATOM 0 HG22 THR A 594 14.255 -2.631 -3.911 1.00 0.38 H new ATOM 0 HG23 THR A 594 12.683 -1.998 -4.457 1.00 0.38 H new ATOM 1503 N ARG A 595 13.800 1.968 -1.652 1.00 0.32 N ATOM 1504 CA ARG A 595 14.485 3.171 -1.182 1.00 0.37 C ATOM 1505 C ARG A 595 14.332 3.402 0.324 1.00 0.37 C ATOM 1506 O ARG A 595 15.230 3.952 0.960 1.00 0.41 O ATOM 1507 CB ARG A 595 13.990 4.397 -1.945 1.00 0.41 C ATOM 1508 CG ARG A 595 14.268 4.335 -3.434 1.00 0.46 C ATOM 1509 CD ARG A 595 13.870 5.625 -4.124 1.00 0.56 C ATOM 1510 NE ARG A 595 14.064 5.556 -5.570 1.00 1.36 N ATOM 1511 CZ ARG A 595 13.719 6.527 -6.411 1.00 1.67 C ATOM 1512 NH1 ARG A 595 13.182 7.651 -5.947 1.00 1.16 N ATOM 1513 NH2 ARG A 595 13.921 6.379 -7.716 1.00 2.75 N ATOM 0 H ARG A 595 12.786 2.050 -1.725 1.00 0.32 H new ATOM 0 HA ARG A 595 15.546 3.015 -1.375 1.00 0.37 H new ATOM 0 HB2 ARG A 595 12.917 4.504 -1.788 1.00 0.41 H new ATOM 0 HB3 ARG A 595 14.463 5.288 -1.532 1.00 0.41 H new ATOM 0 HG2 ARG A 595 15.328 4.143 -3.600 1.00 0.46 H new ATOM 0 HG3 ARG A 595 13.721 3.501 -3.874 1.00 0.46 H new ATOM 0 HD2 ARG A 595 12.824 5.843 -3.909 1.00 0.56 H new ATOM 0 HD3 ARG A 595 14.457 6.449 -3.719 1.00 0.56 H new ATOM 0 HE ARG A 595 14.489 4.714 -5.958 1.00 1.36 H new ATOM 0 HH11 ARG A 595 13.034 7.770 -4.945 1.00 1.16 H new ATOM 0 HH12 ARG A 595 12.918 8.395 -6.593 1.00 1.16 H new ATOM 0 HH21 ARG A 595 14.341 5.521 -8.073 1.00 2.75 H new ATOM 0 HH22 ARG A 595 13.656 7.124 -8.361 1.00 2.75 H new ATOM 1527 N TYR A 596 13.213 2.978 0.899 1.00 0.35 N ATOM 1528 CA TYR A 596 12.939 3.258 2.310 1.00 0.37 C ATOM 1529 C TYR A 596 12.766 1.987 3.132 1.00 0.35 C ATOM 1530 O TYR A 596 12.276 0.968 2.637 1.00 0.36 O ATOM 1531 CB TYR A 596 11.705 4.151 2.452 1.00 0.39 C ATOM 1532 CG TYR A 596 11.956 5.598 2.089 1.00 0.43 C ATOM 1533 CD1 TYR A 596 11.862 6.037 0.776 1.00 0.48 C ATOM 1534 CD2 TYR A 596 12.289 6.526 3.067 1.00 0.54 C ATOM 1535 CE1 TYR A 596 12.092 7.359 0.450 1.00 0.54 C ATOM 1536 CE2 TYR A 596 12.519 7.849 2.749 1.00 0.61 C ATOM 1537 CZ TYR A 596 12.419 8.260 1.440 1.00 0.56 C ATOM 1538 OH TYR A 596 12.648 9.581 1.121 1.00 0.65 O ATOM 0 H TYR A 596 12.487 2.445 0.420 1.00 0.35 H new ATOM 0 HA TYR A 596 13.810 3.783 2.703 1.00 0.37 H new ATOM 0 HB2 TYR A 596 10.909 3.759 1.818 1.00 0.39 H new ATOM 0 HB3 TYR A 596 11.347 4.100 3.480 1.00 0.39 H new ATOM 0 HD1 TYR A 596 11.605 5.334 -0.003 1.00 0.48 H new ATOM 0 HD2 TYR A 596 12.369 6.206 4.095 1.00 0.54 H new ATOM 0 HE1 TYR A 596 12.016 7.685 -0.577 1.00 0.54 H new ATOM 0 HE2 TYR A 596 12.776 8.557 3.523 1.00 0.61 H new ATOM 0 HH TYR A 596 12.866 10.081 1.935 1.00 0.65 H new ATOM 1548 N LYS A 597 13.198 2.058 4.389 1.00 0.38 N ATOM 1549 CA LYS A 597 13.130 0.920 5.299 1.00 0.41 C ATOM 1550 C LYS A 597 12.089 1.128 6.398 1.00 0.41 C ATOM 1551 O LYS A 597 11.811 0.210 7.161 1.00 0.48 O ATOM 1552 CB LYS A 597 14.494 0.637 5.944 1.00 0.50 C ATOM 1553 CG LYS A 597 15.573 0.186 4.962 1.00 0.62 C ATOM 1554 CD LYS A 597 16.110 1.345 4.132 1.00 1.29 C ATOM 1555 CE LYS A 597 16.976 0.860 2.982 1.00 1.67 C ATOM 1556 NZ LYS A 597 18.201 0.162 3.449 1.00 2.18 N ATOM 0 H LYS A 597 13.602 2.899 4.802 1.00 0.38 H new ATOM 0 HA LYS A 597 12.833 0.063 4.695 1.00 0.41 H new ATOM 0 HB2 LYS A 597 14.836 1.538 6.453 1.00 0.50 H new ATOM 0 HB3 LYS A 597 14.369 -0.132 6.707 1.00 0.50 H new ATOM 0 HG2 LYS A 597 16.393 -0.277 5.512 1.00 0.62 H new ATOM 0 HG3 LYS A 597 15.164 -0.576 4.299 1.00 0.62 H new ATOM 0 HD2 LYS A 597 15.277 1.928 3.739 1.00 1.29 H new ATOM 0 HD3 LYS A 597 16.692 2.010 4.770 1.00 1.29 H new ATOM 0 HE2 LYS A 597 16.395 0.186 2.353 1.00 1.67 H new ATOM 0 HE3 LYS A 597 17.260 1.710 2.361 1.00 1.67 H new ATOM 0 HZ1 LYS A 597 18.766 -0.134 2.628 1.00 2.18 H new ATOM 0 HZ2 LYS A 597 18.763 0.806 4.042 1.00 2.18 H new ATOM 0 HZ3 LYS A 597 17.933 -0.675 4.005 1.00 2.18 H new ATOM 1570 N GLU A 598 11.523 2.325 6.499 1.00 0.38 N ATOM 1571 CA GLU A 598 10.561 2.605 7.561 1.00 0.41 C ATOM 1572 C GLU A 598 9.449 3.535 7.080 1.00 0.34 C ATOM 1573 O GLU A 598 9.649 4.350 6.179 1.00 0.33 O ATOM 1574 CB GLU A 598 11.276 3.231 8.760 1.00 0.55 C ATOM 1575 CG GLU A 598 10.369 3.488 9.954 1.00 0.62 C ATOM 1576 CD GLU A 598 11.090 4.184 11.085 1.00 0.80 C ATOM 1577 OE1 GLU A 598 11.766 3.494 11.879 1.00 0.95 O ATOM 1578 OE2 GLU A 598 10.987 5.422 11.190 1.00 0.91 O ATOM 0 H GLU A 598 11.708 3.107 5.870 1.00 0.38 H new ATOM 0 HA GLU A 598 10.106 1.660 7.857 1.00 0.41 H new ATOM 0 HB2 GLU A 598 12.089 2.574 9.069 1.00 0.55 H new ATOM 0 HB3 GLU A 598 11.727 4.173 8.450 1.00 0.55 H new ATOM 0 HG2 GLU A 598 9.521 4.096 9.639 1.00 0.62 H new ATOM 0 HG3 GLU A 598 9.966 2.540 10.312 1.00 0.62 H new ATOM 1585 N LEU A 599 8.281 3.395 7.691 1.00 0.36 N ATOM 1586 CA LEU A 599 7.152 4.268 7.410 1.00 0.32 C ATOM 1587 C LEU A 599 6.797 5.106 8.630 1.00 0.33 C ATOM 1588 O LEU A 599 6.541 4.574 9.713 1.00 0.37 O ATOM 1589 CB LEU A 599 5.938 3.457 6.954 1.00 0.33 C ATOM 1590 CG LEU A 599 6.113 2.752 5.608 1.00 0.37 C ATOM 1591 CD1 LEU A 599 4.850 2.014 5.208 1.00 0.45 C ATOM 1592 CD2 LEU A 599 6.502 3.749 4.534 1.00 0.33 C ATOM 0 H LEU A 599 8.091 2.678 8.391 1.00 0.36 H new ATOM 0 HA LEU A 599 7.443 4.940 6.603 1.00 0.32 H new ATOM 0 HB2 LEU A 599 5.710 2.710 7.714 1.00 0.33 H new ATOM 0 HB3 LEU A 599 5.076 4.121 6.892 1.00 0.33 H new ATOM 0 HG LEU A 599 6.913 2.020 5.715 1.00 0.37 H new ATOM 0 HD11 LEU A 599 5.004 1.523 4.247 1.00 0.45 H new ATOM 0 HD12 LEU A 599 4.611 1.266 5.964 1.00 0.45 H new ATOM 0 HD13 LEU A 599 4.026 2.722 5.125 1.00 0.45 H new ATOM 0 HD21 LEU A 599 6.622 3.231 3.583 1.00 0.33 H new ATOM 0 HD22 LEU A 599 5.722 4.505 4.439 1.00 0.33 H new ATOM 0 HD23 LEU A 599 7.442 4.230 4.807 1.00 0.33 H new ATOM 1604 N GLN A 600 6.818 6.417 8.453 1.00 0.36 N ATOM 1605 CA GLN A 600 6.460 7.340 9.518 1.00 0.44 C ATOM 1606 C GLN A 600 5.186 8.099 9.158 1.00 0.39 C ATOM 1607 O GLN A 600 5.121 8.745 8.111 1.00 0.43 O ATOM 1608 CB GLN A 600 7.607 8.324 9.771 1.00 0.59 C ATOM 1609 CG GLN A 600 7.381 9.238 10.964 1.00 0.85 C ATOM 1610 CD GLN A 600 8.555 10.160 11.221 1.00 1.10 C ATOM 1611 OE1 GLN A 600 9.486 9.814 11.949 1.00 1.52 O ATOM 1612 NE2 GLN A 600 8.518 11.346 10.637 1.00 1.34 N ATOM 0 H GLN A 600 7.081 6.868 7.577 1.00 0.36 H new ATOM 0 HA GLN A 600 6.279 6.768 10.428 1.00 0.44 H new ATOM 0 HB2 GLN A 600 8.528 7.762 9.926 1.00 0.59 H new ATOM 0 HB3 GLN A 600 7.752 8.935 8.880 1.00 0.59 H new ATOM 0 HG2 GLN A 600 6.485 9.835 10.795 1.00 0.85 H new ATOM 0 HG3 GLN A 600 7.198 8.632 11.852 1.00 0.85 H new ATOM 0 HE21 GLN A 600 7.729 11.596 10.041 1.00 1.34 H new ATOM 0 HE22 GLN A 600 9.278 12.010 10.783 1.00 1.34 H new ATOM 1621 N LEU A 601 4.179 8.018 10.017 1.00 0.37 N ATOM 1622 CA LEU A 601 2.917 8.708 9.775 1.00 0.34 C ATOM 1623 C LEU A 601 3.031 10.192 10.106 1.00 0.39 C ATOM 1624 O LEU A 601 2.847 10.600 11.252 1.00 0.46 O ATOM 1625 CB LEU A 601 1.779 8.097 10.599 1.00 0.36 C ATOM 1626 CG LEU A 601 1.345 6.680 10.212 1.00 0.34 C ATOM 1627 CD1 LEU A 601 0.112 6.284 11.008 1.00 0.46 C ATOM 1628 CD2 LEU A 601 1.060 6.585 8.721 1.00 0.32 C ATOM 0 H LEU A 601 4.210 7.484 10.885 1.00 0.37 H new ATOM 0 HA LEU A 601 2.690 8.591 8.715 1.00 0.34 H new ATOM 0 HB2 LEU A 601 2.082 8.088 11.646 1.00 0.36 H new ATOM 0 HB3 LEU A 601 0.912 8.753 10.523 1.00 0.36 H new ATOM 0 HG LEU A 601 2.160 5.994 10.444 1.00 0.34 H new ATOM 0 HD11 LEU A 601 -0.193 5.275 10.729 1.00 0.46 H new ATOM 0 HD12 LEU A 601 0.342 6.312 12.073 1.00 0.46 H new ATOM 0 HD13 LEU A 601 -0.699 6.980 10.793 1.00 0.46 H new ATOM 0 HD21 LEU A 601 0.754 5.569 8.473 1.00 0.32 H new ATOM 0 HD22 LEU A 601 0.261 7.279 8.458 1.00 0.32 H new ATOM 0 HD23 LEU A 601 1.960 6.839 8.162 1.00 0.32 H new ATOM 1640 N LYS A 602 3.339 10.993 9.095 1.00 0.41 N ATOM 1641 CA LYS A 602 3.370 12.443 9.247 1.00 0.48 C ATOM 1642 C LYS A 602 1.954 12.977 9.408 1.00 0.46 C ATOM 1643 O LYS A 602 1.734 14.057 9.960 1.00 0.51 O ATOM 1644 CB LYS A 602 4.037 13.092 8.036 1.00 0.59 C ATOM 1645 CG LYS A 602 5.488 12.685 7.844 1.00 0.69 C ATOM 1646 CD LYS A 602 6.073 13.313 6.594 1.00 0.93 C ATOM 1647 CE LYS A 602 7.511 12.882 6.373 1.00 1.49 C ATOM 1648 NZ LYS A 602 8.052 13.411 5.095 1.00 1.73 N ATOM 0 H LYS A 602 3.572 10.663 8.158 1.00 0.41 H new ATOM 0 HA LYS A 602 3.949 12.689 10.137 1.00 0.48 H new ATOM 0 HB2 LYS A 602 3.474 12.831 7.140 1.00 0.59 H new ATOM 0 HB3 LYS A 602 3.984 14.176 8.141 1.00 0.59 H new ATOM 0 HG2 LYS A 602 6.071 12.988 8.713 1.00 0.69 H new ATOM 0 HG3 LYS A 602 5.558 11.599 7.776 1.00 0.69 H new ATOM 0 HD2 LYS A 602 5.471 13.032 5.729 1.00 0.93 H new ATOM 0 HD3 LYS A 602 6.026 14.399 6.676 1.00 0.93 H new ATOM 0 HE2 LYS A 602 8.127 13.231 7.201 1.00 1.49 H new ATOM 0 HE3 LYS A 602 7.568 11.794 6.370 1.00 1.49 H new ATOM 0 HZ1 LYS A 602 9.036 13.096 4.978 1.00 1.73 H new ATOM 0 HZ2 LYS A 602 7.479 13.057 4.303 1.00 1.73 H new ATOM 0 HZ3 LYS A 602 8.020 14.450 5.108 1.00 1.73 H new ATOM 1662 N LYS A 603 0.999 12.205 8.916 1.00 0.44 N ATOM 1663 CA LYS A 603 -0.408 12.541 9.034 1.00 0.48 C ATOM 1664 C LYS A 603 -1.107 11.494 9.891 1.00 0.54 C ATOM 1665 O LYS A 603 -0.779 10.310 9.817 1.00 0.62 O ATOM 1666 CB LYS A 603 -1.060 12.597 7.647 1.00 0.58 C ATOM 1667 CG LYS A 603 -0.472 13.661 6.732 1.00 0.65 C ATOM 1668 CD LYS A 603 -0.686 15.059 7.289 1.00 0.79 C ATOM 1669 CE LYS A 603 -0.103 16.123 6.372 1.00 0.90 C ATOM 1670 NZ LYS A 603 -0.759 16.136 5.034 1.00 1.69 N ATOM 0 H LYS A 603 1.178 11.329 8.425 1.00 0.44 H new ATOM 0 HA LYS A 603 -0.503 13.520 9.503 1.00 0.48 H new ATOM 0 HB2 LYS A 603 -0.957 11.623 7.168 1.00 0.58 H new ATOM 0 HB3 LYS A 603 -2.127 12.783 7.765 1.00 0.58 H new ATOM 0 HG2 LYS A 603 0.595 13.480 6.602 1.00 0.65 H new ATOM 0 HG3 LYS A 603 -0.931 13.588 5.746 1.00 0.65 H new ATOM 0 HD2 LYS A 603 -1.753 15.238 7.423 1.00 0.79 H new ATOM 0 HD3 LYS A 603 -0.224 15.134 8.273 1.00 0.79 H new ATOM 0 HE2 LYS A 603 -0.214 17.102 6.838 1.00 0.90 H new ATOM 0 HE3 LYS A 603 0.966 15.948 6.249 1.00 0.90 H new ATOM 0 HZ1 LYS A 603 -0.466 16.986 4.512 1.00 1.69 H new ATOM 0 HZ2 LYS A 603 -0.478 15.288 4.501 1.00 1.69 H new ATOM 0 HZ3 LYS A 603 -1.792 16.143 5.154 1.00 1.69 H new ATOM 1727 N ASN A 607 -8.952 4.718 12.441 1.00 0.65 N ATOM 1728 CA ASN A 607 -8.810 3.330 12.868 1.00 0.48 C ATOM 1729 C ASN A 607 -8.974 2.376 11.690 1.00 0.43 C ATOM 1730 O ASN A 607 -10.010 2.365 11.025 1.00 0.60 O ATOM 1731 CB ASN A 607 -9.839 3.006 13.956 1.00 0.59 C ATOM 1732 CG ASN A 607 -9.775 1.561 14.418 1.00 0.79 C ATOM 1733 OD1 ASN A 607 -8.722 0.925 14.370 1.00 1.28 O ATOM 1734 ND2 ASN A 607 -10.900 1.031 14.870 1.00 1.33 N ATOM 0 HA ASN A 607 -7.807 3.199 13.274 1.00 0.48 H new ATOM 0 HB2 ASN A 607 -9.676 3.663 14.810 1.00 0.59 H new ATOM 0 HB3 ASN A 607 -10.839 3.217 13.578 1.00 0.59 H new ATOM 0 HD21 ASN A 607 -10.914 0.064 15.194 1.00 1.33 H new ATOM 0 HD22 ASN A 607 -11.753 1.590 14.895 1.00 1.33 H new ATOM 1741 N VAL A 608 -7.950 1.572 11.454 1.00 0.30 N ATOM 1742 CA VAL A 608 -7.927 0.664 10.319 1.00 0.22 C ATOM 1743 C VAL A 608 -8.797 -0.572 10.581 1.00 0.21 C ATOM 1744 O VAL A 608 -9.249 -1.237 9.650 1.00 0.21 O ATOM 1745 CB VAL A 608 -6.474 0.253 9.977 1.00 0.19 C ATOM 1746 CG1 VAL A 608 -6.435 -0.769 8.856 1.00 0.19 C ATOM 1747 CG2 VAL A 608 -5.654 1.482 9.602 1.00 0.27 C ATOM 0 H VAL A 608 -7.116 1.530 12.040 1.00 0.30 H new ATOM 0 HA VAL A 608 -8.345 1.189 9.460 1.00 0.22 H new ATOM 0 HB VAL A 608 -6.039 -0.209 10.863 1.00 0.19 H new ATOM 0 HG11 VAL A 608 -5.400 -1.035 8.642 1.00 0.19 H new ATOM 0 HG12 VAL A 608 -6.984 -1.661 9.158 1.00 0.19 H new ATOM 0 HG13 VAL A 608 -6.893 -0.346 7.962 1.00 0.19 H new ATOM 0 HG21 VAL A 608 -4.634 1.180 9.364 1.00 0.27 H new ATOM 0 HG22 VAL A 608 -6.101 1.967 8.734 1.00 0.27 H new ATOM 0 HG23 VAL A 608 -5.640 2.179 10.440 1.00 0.27 H new ATOM 1757 N ALA A 609 -9.051 -0.868 11.851 1.00 0.28 N ATOM 1758 CA ALA A 609 -9.942 -1.969 12.213 1.00 0.33 C ATOM 1759 C ALA A 609 -11.353 -1.728 11.673 1.00 0.32 C ATOM 1760 O ALA A 609 -12.068 -2.668 11.307 1.00 0.32 O ATOM 1761 CB ALA A 609 -9.969 -2.158 13.719 1.00 0.44 C ATOM 0 H ALA A 609 -8.656 -0.365 12.645 1.00 0.28 H new ATOM 0 HA ALA A 609 -9.558 -2.882 11.758 1.00 0.33 H new ATOM 0 HB1 ALA A 609 -10.637 -2.982 13.970 1.00 0.44 H new ATOM 0 HB2 ALA A 609 -8.964 -2.384 14.075 1.00 0.44 H new ATOM 0 HB3 ALA A 609 -10.325 -1.244 14.194 1.00 0.44 H new ATOM 1767 N ALA A 610 -11.740 -0.458 11.610 1.00 0.33 N ATOM 1768 CA ALA A 610 -13.025 -0.077 11.038 1.00 0.35 C ATOM 1769 C ALA A 610 -13.060 -0.414 9.553 1.00 0.30 C ATOM 1770 O ALA A 610 -14.111 -0.716 8.991 1.00 0.31 O ATOM 1771 CB ALA A 610 -13.279 1.407 11.252 1.00 0.40 C ATOM 0 H ALA A 610 -11.181 0.325 11.949 1.00 0.33 H new ATOM 0 HA ALA A 610 -13.812 -0.638 11.541 1.00 0.35 H new ATOM 0 HB1 ALA A 610 -14.242 1.677 10.820 1.00 0.40 H new ATOM 0 HB2 ALA A 610 -13.287 1.624 12.320 1.00 0.40 H new ATOM 0 HB3 ALA A 610 -12.490 1.984 10.770 1.00 0.40 H new ATOM 1777 N ILE A 611 -11.888 -0.376 8.934 1.00 0.25 N ATOM 1778 CA ILE A 611 -11.747 -0.691 7.524 1.00 0.23 C ATOM 1779 C ILE A 611 -11.937 -2.195 7.301 1.00 0.22 C ATOM 1780 O ILE A 611 -12.419 -2.624 6.253 1.00 0.23 O ATOM 1781 CB ILE A 611 -10.372 -0.222 6.993 1.00 0.20 C ATOM 1782 CG1 ILE A 611 -10.242 1.290 7.189 1.00 0.24 C ATOM 1783 CG2 ILE A 611 -10.207 -0.577 5.524 1.00 0.22 C ATOM 1784 CD1 ILE A 611 -8.892 1.842 6.799 1.00 0.23 C ATOM 0 H ILE A 611 -11.013 -0.127 9.395 1.00 0.25 H new ATOM 0 HA ILE A 611 -12.518 -0.158 6.967 1.00 0.23 H new ATOM 0 HB ILE A 611 -9.587 -0.732 7.552 1.00 0.20 H new ATOM 0 HG12 ILE A 611 -11.012 1.790 6.602 1.00 0.24 H new ATOM 0 HG13 ILE A 611 -10.433 1.529 8.235 1.00 0.24 H new ATOM 0 HG21 ILE A 611 -9.232 -0.237 5.175 1.00 0.22 H new ATOM 0 HG22 ILE A 611 -10.280 -1.658 5.400 1.00 0.22 H new ATOM 0 HG23 ILE A 611 -10.991 -0.092 4.942 1.00 0.22 H new ATOM 0 HD11 ILE A 611 -8.877 2.919 6.966 1.00 0.23 H new ATOM 0 HD12 ILE A 611 -8.118 1.370 7.404 1.00 0.23 H new ATOM 0 HD13 ILE A 611 -8.705 1.636 5.745 1.00 0.23 H new ATOM 1796 N ILE A 612 -11.566 -2.994 8.301 1.00 0.22 N ATOM 1797 CA ILE A 612 -11.840 -4.432 8.275 1.00 0.24 C ATOM 1798 C ILE A 612 -13.344 -4.674 8.213 1.00 0.27 C ATOM 1799 O ILE A 612 -13.826 -5.507 7.439 1.00 0.28 O ATOM 1800 CB ILE A 612 -11.282 -5.145 9.526 1.00 0.26 C ATOM 1801 CG1 ILE A 612 -9.778 -4.906 9.661 1.00 0.26 C ATOM 1802 CG2 ILE A 612 -11.579 -6.637 9.460 1.00 0.31 C ATOM 1803 CD1 ILE A 612 -9.184 -5.467 10.934 1.00 0.31 C ATOM 0 H ILE A 612 -11.077 -2.672 9.136 1.00 0.22 H new ATOM 0 HA ILE A 612 -11.348 -4.838 7.391 1.00 0.24 H new ATOM 0 HB ILE A 612 -11.773 -4.729 10.406 1.00 0.26 H new ATOM 0 HG12 ILE A 612 -9.270 -5.353 8.806 1.00 0.26 H new ATOM 0 HG13 ILE A 612 -9.585 -3.834 9.622 1.00 0.26 H new ATOM 0 HG21 ILE A 612 -11.180 -7.127 10.348 1.00 0.31 H new ATOM 0 HG22 ILE A 612 -12.657 -6.792 9.414 1.00 0.31 H new ATOM 0 HG23 ILE A 612 -11.113 -7.062 8.571 1.00 0.31 H new ATOM 0 HD11 ILE A 612 -8.114 -5.259 10.959 1.00 0.31 H new ATOM 0 HD12 ILE A 612 -9.664 -5.002 11.795 1.00 0.31 H new ATOM 0 HD13 ILE A 612 -9.345 -6.545 10.966 1.00 0.31 H new ATOM 1815 N GLN A 613 -14.079 -3.916 9.020 1.00 0.31 N ATOM 1816 CA GLN A 613 -15.537 -3.991 9.027 1.00 0.35 C ATOM 1817 C GLN A 613 -16.086 -3.556 7.669 1.00 0.34 C ATOM 1818 O GLN A 613 -17.126 -4.032 7.212 1.00 0.37 O ATOM 1819 CB GLN A 613 -16.109 -3.092 10.126 1.00 0.41 C ATOM 1820 CG GLN A 613 -15.550 -3.376 11.512 1.00 0.49 C ATOM 1821 CD GLN A 613 -15.783 -4.803 11.959 1.00 1.37 C ATOM 1822 OE1 GLN A 613 -14.960 -5.684 11.715 1.00 1.97 O ATOM 1823 NE2 GLN A 613 -16.901 -5.041 12.621 1.00 2.31 N ATOM 0 H GLN A 613 -13.689 -3.242 9.679 1.00 0.31 H new ATOM 0 HA GLN A 613 -15.834 -5.021 9.223 1.00 0.35 H new ATOM 0 HB2 GLN A 613 -15.908 -2.051 9.871 1.00 0.41 H new ATOM 0 HB3 GLN A 613 -17.192 -3.211 10.151 1.00 0.41 H new ATOM 0 HG2 GLN A 613 -14.480 -3.169 11.516 1.00 0.49 H new ATOM 0 HG3 GLN A 613 -16.009 -2.696 12.230 1.00 0.49 H new ATOM 0 HE21 GLN A 613 -17.558 -4.282 12.803 1.00 2.31 H new ATOM 0 HE22 GLN A 613 -17.108 -5.984 12.951 1.00 2.31 H new ATOM 1832 N ASP A 614 -15.347 -2.660 7.030 1.00 0.33 N ATOM 1833 CA ASP A 614 -15.731 -2.100 5.739 1.00 0.33 C ATOM 1834 C ASP A 614 -15.588 -3.143 4.634 1.00 0.30 C ATOM 1835 O ASP A 614 -16.486 -3.321 3.814 1.00 0.34 O ATOM 1836 CB ASP A 614 -14.869 -0.881 5.415 1.00 0.36 C ATOM 1837 CG ASP A 614 -15.425 -0.059 4.272 1.00 0.95 C ATOM 1838 OD1 ASP A 614 -16.109 0.944 4.549 1.00 1.95 O ATOM 1839 OD2 ASP A 614 -15.170 -0.395 3.097 1.00 1.09 O ATOM 0 H ASP A 614 -14.464 -2.300 7.391 1.00 0.33 H new ATOM 0 HA ASP A 614 -16.776 -1.794 5.797 1.00 0.33 H new ATOM 0 HB2 ASP A 614 -14.787 -0.253 6.302 1.00 0.36 H new ATOM 0 HB3 ASP A 614 -13.861 -1.211 5.163 1.00 0.36 H new ATOM 1844 N ILE A 615 -14.458 -3.844 4.635 1.00 0.26 N ATOM 1845 CA ILE A 615 -14.191 -4.883 3.647 1.00 0.27 C ATOM 1846 C ILE A 615 -15.229 -5.990 3.736 1.00 0.32 C ATOM 1847 O ILE A 615 -15.771 -6.434 2.729 1.00 0.35 O ATOM 1848 CB ILE A 615 -12.803 -5.509 3.862 1.00 0.24 C ATOM 1849 CG1 ILE A 615 -11.722 -4.443 3.742 1.00 0.20 C ATOM 1850 CG2 ILE A 615 -12.560 -6.630 2.859 1.00 0.29 C ATOM 1851 CD1 ILE A 615 -10.351 -4.937 4.117 1.00 0.18 C ATOM 0 H ILE A 615 -13.709 -3.710 5.314 1.00 0.26 H new ATOM 0 HA ILE A 615 -14.232 -4.409 2.666 1.00 0.27 H new ATOM 0 HB ILE A 615 -12.765 -5.934 4.865 1.00 0.24 H new ATOM 0 HG12 ILE A 615 -11.699 -4.073 2.717 1.00 0.20 H new ATOM 0 HG13 ILE A 615 -11.983 -3.598 4.380 1.00 0.20 H new ATOM 0 HG21 ILE A 615 -11.573 -7.061 3.027 1.00 0.29 H new ATOM 0 HG22 ILE A 615 -13.319 -7.402 2.985 1.00 0.29 H new ATOM 0 HG23 ILE A 615 -12.614 -6.230 1.846 1.00 0.29 H new ATOM 0 HD11 ILE A 615 -9.630 -4.127 4.009 1.00 0.18 H new ATOM 0 HD12 ILE A 615 -10.358 -5.280 5.152 1.00 0.18 H new ATOM 0 HD13 ILE A 615 -10.070 -5.762 3.463 1.00 0.18 H new ATOM 1863 N HIS A 616 -15.485 -6.433 4.957 1.00 0.37 N ATOM 1864 CA HIS A 616 -16.419 -7.528 5.199 1.00 0.46 C ATOM 1865 C HIS A 616 -17.843 -7.156 4.799 1.00 0.44 C ATOM 1866 O HIS A 616 -18.576 -7.987 4.267 1.00 0.46 O ATOM 1867 CB HIS A 616 -16.379 -7.952 6.670 1.00 0.59 C ATOM 1868 CG HIS A 616 -15.098 -8.623 7.068 1.00 0.70 C ATOM 1869 ND1 HIS A 616 -14.884 -9.154 8.321 1.00 1.26 N ATOM 1870 CD2 HIS A 616 -13.961 -8.849 6.368 1.00 0.76 C ATOM 1871 CE1 HIS A 616 -13.672 -9.673 8.375 1.00 1.24 C ATOM 1872 NE2 HIS A 616 -13.093 -9.502 7.203 1.00 0.82 N ATOM 0 H HIS A 616 -15.058 -6.051 5.801 1.00 0.37 H new ATOM 0 HA HIS A 616 -16.106 -8.366 4.577 1.00 0.46 H new ATOM 0 HB2 HIS A 616 -16.529 -7.073 7.297 1.00 0.59 H new ATOM 0 HB3 HIS A 616 -17.210 -8.629 6.867 1.00 0.59 H new ATOM 0 HD2 HIS A 616 -13.773 -8.567 5.342 1.00 0.76 H new ATOM 0 HE1 HIS A 616 -13.229 -10.156 9.234 1.00 1.24 H new ATOM 0 HE2 HIS A 616 -12.151 -9.807 6.958 1.00 0.82 H new ATOM 1881 N SER A 617 -18.231 -5.914 5.050 1.00 0.45 N ATOM 1882 CA SER A 617 -19.577 -5.473 4.729 1.00 0.51 C ATOM 1883 C SER A 617 -19.743 -5.249 3.224 1.00 0.49 C ATOM 1884 O SER A 617 -20.812 -5.505 2.666 1.00 0.57 O ATOM 1885 CB SER A 617 -19.931 -4.212 5.519 1.00 0.58 C ATOM 1886 OG SER A 617 -18.924 -3.224 5.396 1.00 1.18 O ATOM 0 H SER A 617 -17.637 -5.200 5.472 1.00 0.45 H new ATOM 0 HA SER A 617 -20.271 -6.262 5.020 1.00 0.51 H new ATOM 0 HB2 SER A 617 -20.880 -3.812 5.162 1.00 0.58 H new ATOM 0 HB3 SER A 617 -20.067 -4.466 6.570 1.00 0.58 H new ATOM 0 HG SER A 617 -18.362 -3.228 6.199 1.00 1.18 H new