USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=31 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 -95:sc= 0.985 USER MOD Set 1.2: A 584 ASN : amide:sc= 0.609 X(o=1.6,f=1.2) USER MOD Set 2.1: A 523 HIS :FLIP no HE2:sc= -3.63! C(o=-6.2!,f=-4!) USER MOD Set 2.2: A 553 MET CE :methyl -119:sc= 0 (180deg=0) USER MOD Set 2.3: A 556 THR OG1 : rot -80:sc= 0 USER MOD Set 2.4: A 558 GLN :FLIP amide:sc= -0.413 F(o=-5.5!,f=-4) USER MOD Single : A 525 CYS SG : rot -19:sc= -1.46! USER MOD Single : A 526 ASN : amide:sc= 0.484 K(o=0.48,f=-0.97) USER MOD Single : A 532 CYS SG : rot 9:sc= -2.37! USER MOD Single : A 533 THR OG1 : rot -130:sc= 2.09 USER MOD Single : A 535 ASN : amide:sc=-0.00259 K(o=-0.0026,f=-1.3) USER MOD Single : A 539 ASN :FLIP amide:sc= -3.21 F(o=-4.3,f=-3.2) USER MOD Single : A 546 LYS NZ :NH3+ 166:sc= -0.0544 (180deg=-0.287) USER MOD Single : A 548 THR OG1 : rot 180:sc= 0.00667 USER MOD Single : A 549 ASN :FLIP amide:sc= -0.024 F(o=-1.9,f=-0.024) USER MOD Single : A 550 TYR OH : rot 5:sc= 0.992 USER MOD Single : A 554 LYS NZ :NH3+ 170:sc=-0.00469 (180deg=-0.105) USER MOD Single : A 555 SER OG : rot 180:sc= 0 USER MOD Single : A 557 ASN : amide:sc= 0.00713 X(o=0.0071,f=-0.0036) USER MOD Single : A 563 MET CE :methyl -177:sc= -5.33! (180deg=-5.64!) USER MOD Single : A 565 TYR OH : rot 180:sc= 0 USER MOD Single : A 566 THR OG1 : rot 180:sc= 0 USER MOD Single : A 570 GLN : amide:sc= -2.32! C(o=-2.3!,f=-6.9!) USER MOD Single : A 572 MET CE :methyl 167:sc= -4.28! (180deg=-4.95!) USER MOD Single : A 574 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 TYR OH : rot -151:sc= -0.277 USER MOD Single : A 577 GLN : amide:sc= -1.03 X(o=-1,f=-0.69) USER MOD Single : A 579 LYS NZ :NH3+ 171:sc=-0.00258 (180deg=-0.0945) USER MOD Single : A 587 LYS NZ :NH3+ 166:sc= -0.0904 (180deg=-0.405) USER MOD Single : A 592 MET CE :methyl 161:sc= 0 (180deg=-0.185) USER MOD Single : A 593 SER OG : rot 60:sc= -2.36! USER MOD Single : A 594 THR OG1 : rot 180:sc= 0.037 USER MOD Single : A 596 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 LYS NZ :NH3+ -168:sc= -0.0196 (180deg=-0.2) USER MOD Single : A 600 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 602 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 603 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0554) USER MOD Single : A 607 ASN : amide:sc= 0.569 K(o=0.57,f=-8.1!) USER MOD Single : A 613 GLN : amide:sc= -0.0396 X(o=-0.04,f=-0.04) USER MOD Single : A 616 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 617 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 321 N ARG A 520 9.204 -2.863 7.369 1.00 0.46 N ATOM 322 CA ARG A 520 8.849 -3.162 5.994 1.00 0.40 C ATOM 323 C ARG A 520 8.200 -1.958 5.338 1.00 0.34 C ATOM 324 O ARG A 520 7.363 -1.282 5.937 1.00 0.36 O ATOM 325 CB ARG A 520 7.874 -4.334 5.944 1.00 0.44 C ATOM 326 CG ARG A 520 8.369 -5.574 6.663 1.00 0.56 C ATOM 327 CD ARG A 520 7.211 -6.347 7.261 1.00 0.64 C ATOM 328 NE ARG A 520 6.410 -5.500 8.141 1.00 0.93 N ATOM 329 CZ ARG A 520 6.422 -5.575 9.469 1.00 1.70 C ATOM 330 NH1 ARG A 520 7.136 -6.507 10.087 1.00 2.13 N ATOM 331 NH2 ARG A 520 5.703 -4.721 10.180 1.00 2.22 N ATOM 0 HA ARG A 520 9.763 -3.419 5.458 1.00 0.40 H new ATOM 0 HB2 ARG A 520 6.926 -4.025 6.384 1.00 0.44 H new ATOM 0 HB3 ARG A 520 7.675 -4.585 4.902 1.00 0.44 H new ATOM 0 HG2 ARG A 520 8.916 -6.210 5.967 1.00 0.56 H new ATOM 0 HG3 ARG A 520 9.067 -5.289 7.450 1.00 0.56 H new ATOM 0 HD2 ARG A 520 6.583 -6.743 6.463 1.00 0.64 H new ATOM 0 HD3 ARG A 520 7.591 -7.201 7.821 1.00 0.64 H new ATOM 0 HE ARG A 520 5.801 -4.805 7.709 1.00 0.93 H new ATOM 0 HH11 ARG A 520 7.683 -7.175 9.543 1.00 2.13 H new ATOM 0 HH12 ARG A 520 7.138 -6.556 11.106 1.00 2.13 H new ATOM 0 HH21 ARG A 520 5.143 -4.010 9.709 1.00 2.22 H new ATOM 0 HH22 ARG A 520 5.709 -4.774 11.199 1.00 2.22 H new ATOM 345 N VAL A 521 8.613 -1.681 4.123 1.00 0.29 N ATOM 346 CA VAL A 521 7.924 -0.710 3.301 1.00 0.24 C ATOM 347 C VAL A 521 7.364 -1.378 2.062 1.00 0.21 C ATOM 348 O VAL A 521 8.103 -1.980 1.275 1.00 0.23 O ATOM 349 CB VAL A 521 8.803 0.494 2.922 1.00 0.26 C ATOM 350 CG1 VAL A 521 8.040 1.442 2.015 1.00 0.27 C ATOM 351 CG2 VAL A 521 9.267 1.218 4.171 1.00 0.32 C ATOM 0 H VAL A 521 9.423 -2.114 3.680 1.00 0.29 H new ATOM 0 HA VAL A 521 7.105 -0.312 3.900 1.00 0.24 H new ATOM 0 HB VAL A 521 9.678 0.130 2.384 1.00 0.26 H new ATOM 0 HG11 VAL A 521 8.676 2.289 1.756 1.00 0.27 H new ATOM 0 HG12 VAL A 521 7.746 0.918 1.106 1.00 0.27 H new ATOM 0 HG13 VAL A 521 7.150 1.802 2.531 1.00 0.27 H new ATOM 0 HG21 VAL A 521 9.888 2.068 3.889 1.00 0.32 H new ATOM 0 HG22 VAL A 521 8.400 1.571 4.730 1.00 0.32 H new ATOM 0 HG23 VAL A 521 9.846 0.536 4.793 1.00 0.32 H new ATOM 361 N VAL A 522 6.062 -1.280 1.895 1.00 0.20 N ATOM 362 CA VAL A 522 5.403 -1.840 0.738 1.00 0.18 C ATOM 363 C VAL A 522 4.709 -0.705 0.007 1.00 0.18 C ATOM 364 O VAL A 522 3.878 -0.007 0.584 1.00 0.19 O ATOM 365 CB VAL A 522 4.380 -2.920 1.146 1.00 0.20 C ATOM 366 CG1 VAL A 522 3.814 -3.630 -0.070 1.00 0.21 C ATOM 367 CG2 VAL A 522 5.005 -3.920 2.107 1.00 0.22 C ATOM 0 H VAL A 522 5.437 -0.814 2.552 1.00 0.20 H new ATOM 0 HA VAL A 522 6.137 -2.321 0.092 1.00 0.18 H new ATOM 0 HB VAL A 522 3.556 -2.421 1.656 1.00 0.20 H new ATOM 0 HG11 VAL A 522 3.096 -4.385 0.251 1.00 0.21 H new ATOM 0 HG12 VAL A 522 3.315 -2.906 -0.715 1.00 0.21 H new ATOM 0 HG13 VAL A 522 4.623 -4.109 -0.621 1.00 0.21 H new ATOM 0 HG21 VAL A 522 4.265 -4.672 2.381 1.00 0.22 H new ATOM 0 HG22 VAL A 522 5.855 -4.405 1.626 1.00 0.22 H new ATOM 0 HG23 VAL A 522 5.344 -3.400 3.003 1.00 0.22 H new ATOM 377 N HIS A 523 5.061 -0.491 -1.244 1.00 0.18 N ATOM 378 CA HIS A 523 4.573 0.654 -1.980 1.00 0.18 C ATOM 379 C HIS A 523 3.519 0.235 -2.990 1.00 0.17 C ATOM 380 O HIS A 523 3.687 -0.744 -3.717 1.00 0.18 O ATOM 381 CB HIS A 523 5.749 1.334 -2.689 1.00 0.20 C ATOM 382 CG HIS A 523 5.387 2.544 -3.492 1.00 0.25 C ATOM 383 ND1 HIS A 523 5.237 3.842 -3.133 1.00 0.39 N flip ATOM 384 CD2 HIS A 523 5.179 2.501 -4.850 1.00 0.30 C flip ATOM 385 CE1 HIS A 523 4.949 4.549 -4.271 1.00 0.44 C flip ATOM 386 NE2 HIS A 523 4.921 3.714 -5.290 1.00 0.37 N flip ATOM 0 H HIS A 523 5.686 -1.099 -1.773 1.00 0.18 H new ATOM 0 HA HIS A 523 4.111 1.355 -1.285 1.00 0.18 H new ATOM 0 HB2 HIS A 523 6.489 1.620 -1.941 1.00 0.20 H new ATOM 0 HB3 HIS A 523 6.226 0.608 -3.348 1.00 0.20 H new ATOM 0 HD1 HIS A 523 5.323 4.222 -2.190 1.00 0.39 H new ATOM 0 HD2 HIS A 523 5.221 1.611 -5.460 1.00 0.30 H new ATOM 0 HE1 HIS A 523 4.774 5.613 -4.324 1.00 0.44 H new ATOM 395 N ILE A 524 2.442 0.990 -3.028 1.00 0.16 N ATOM 396 CA ILE A 524 1.371 0.758 -3.969 1.00 0.16 C ATOM 397 C ILE A 524 1.316 1.930 -4.932 1.00 0.17 C ATOM 398 O ILE A 524 1.523 3.072 -4.534 1.00 0.19 O ATOM 399 CB ILE A 524 0.022 0.596 -3.236 1.00 0.17 C ATOM 400 CG1 ILE A 524 0.163 -0.465 -2.138 1.00 0.16 C ATOM 401 CG2 ILE A 524 -1.084 0.222 -4.216 1.00 0.18 C ATOM 402 CD1 ILE A 524 -1.117 -0.768 -1.394 1.00 0.18 C ATOM 0 H ILE A 524 2.286 1.783 -2.406 1.00 0.16 H new ATOM 0 HA ILE A 524 1.559 -0.165 -4.517 1.00 0.16 H new ATOM 0 HB ILE A 524 -0.252 1.546 -2.778 1.00 0.17 H new ATOM 0 HG12 ILE A 524 0.535 -1.386 -2.586 1.00 0.16 H new ATOM 0 HG13 ILE A 524 0.915 -0.132 -1.422 1.00 0.16 H new ATOM 0 HG21 ILE A 524 -2.026 0.113 -3.678 1.00 0.18 H new ATOM 0 HG22 ILE A 524 -1.184 1.005 -4.968 1.00 0.18 H new ATOM 0 HG23 ILE A 524 -0.834 -0.720 -4.704 1.00 0.18 H new ATOM 0 HD11 ILE A 524 -0.926 -1.528 -0.637 1.00 0.18 H new ATOM 0 HD12 ILE A 524 -1.482 0.140 -0.913 1.00 0.18 H new ATOM 0 HD13 ILE A 524 -1.867 -1.134 -2.095 1.00 0.18 H new ATOM 414 N CYS A 525 1.083 1.660 -6.197 1.00 0.17 N ATOM 415 CA CYS A 525 1.103 2.715 -7.190 1.00 0.18 C ATOM 416 C CYS A 525 -0.005 2.544 -8.211 1.00 0.15 C ATOM 417 O CYS A 525 -0.643 1.489 -8.274 1.00 0.16 O ATOM 418 CB CYS A 525 2.469 2.762 -7.879 1.00 0.29 C ATOM 419 SG CYS A 525 3.108 1.146 -8.373 1.00 1.17 S ATOM 0 H CYS A 525 0.879 0.729 -6.562 1.00 0.17 H new ATOM 0 HA CYS A 525 0.930 3.662 -6.678 1.00 0.18 H new ATOM 0 HB2 CYS A 525 2.396 3.396 -8.762 1.00 0.29 H new ATOM 0 HB3 CYS A 525 3.186 3.233 -7.207 1.00 0.29 H new ATOM 0 HG CYS A 525 2.487 0.214 -7.713 1.00 1.17 H new ATOM 425 N ASN A 526 -0.225 3.618 -8.972 1.00 0.15 N ATOM 426 CA ASN A 526 -1.208 3.668 -10.065 1.00 0.16 C ATOM 427 C ASN A 526 -2.570 4.053 -9.520 1.00 0.15 C ATOM 428 O ASN A 526 -3.605 3.712 -10.087 1.00 0.18 O ATOM 429 CB ASN A 526 -1.296 2.354 -10.858 1.00 0.19 C ATOM 430 CG ASN A 526 -0.030 2.041 -11.632 1.00 0.21 C ATOM 431 OD1 ASN A 526 0.706 2.940 -12.039 1.00 0.22 O ATOM 432 ND2 ASN A 526 0.225 0.759 -11.853 1.00 0.26 N ATOM 0 H ASN A 526 0.282 4.494 -8.847 1.00 0.15 H new ATOM 0 HA ASN A 526 -0.865 4.428 -10.767 1.00 0.16 H new ATOM 0 HB2 ASN A 526 -1.506 1.535 -10.170 1.00 0.19 H new ATOM 0 HB3 ASN A 526 -2.135 2.411 -11.552 1.00 0.19 H new ATOM 0 HD21 ASN A 526 1.057 0.487 -12.377 1.00 0.26 H new ATOM 0 HD22 ASN A 526 -0.410 0.044 -11.499 1.00 0.26 H new ATOM 439 N LEU A 527 -2.551 4.798 -8.427 1.00 0.15 N ATOM 440 CA LEU A 527 -3.771 5.283 -7.812 1.00 0.17 C ATOM 441 C LEU A 527 -4.124 6.636 -8.409 1.00 0.22 C ATOM 442 O LEU A 527 -3.308 7.551 -8.387 1.00 0.25 O ATOM 443 CB LEU A 527 -3.574 5.414 -6.298 1.00 0.15 C ATOM 444 CG LEU A 527 -3.461 4.099 -5.528 1.00 0.16 C ATOM 445 CD1 LEU A 527 -3.002 4.360 -4.105 1.00 0.18 C ATOM 446 CD2 LEU A 527 -4.798 3.382 -5.515 1.00 0.21 C ATOM 0 H LEU A 527 -1.697 5.080 -7.946 1.00 0.15 H new ATOM 0 HA LEU A 527 -4.582 4.579 -8.000 1.00 0.17 H new ATOM 0 HB2 LEU A 527 -2.672 5.998 -6.117 1.00 0.15 H new ATOM 0 HB3 LEU A 527 -4.409 5.982 -5.889 1.00 0.15 H new ATOM 0 HG LEU A 527 -2.725 3.468 -6.026 1.00 0.16 H new ATOM 0 HD11 LEU A 527 -2.926 3.414 -3.568 1.00 0.18 H new ATOM 0 HD12 LEU A 527 -2.027 4.848 -4.121 1.00 0.18 H new ATOM 0 HD13 LEU A 527 -3.723 5.005 -3.603 1.00 0.18 H new ATOM 0 HD21 LEU A 527 -4.704 2.447 -4.963 1.00 0.21 H new ATOM 0 HD22 LEU A 527 -5.545 4.014 -5.034 1.00 0.21 H new ATOM 0 HD23 LEU A 527 -5.107 3.170 -6.539 1.00 0.21 H new ATOM 458 N PRO A 528 -5.327 6.790 -8.971 1.00 0.26 N ATOM 459 CA PRO A 528 -5.742 8.059 -9.561 1.00 0.33 C ATOM 460 C PRO A 528 -6.048 9.110 -8.498 1.00 0.34 C ATOM 461 O PRO A 528 -6.738 8.830 -7.515 1.00 0.32 O ATOM 462 CB PRO A 528 -7.017 7.702 -10.341 1.00 0.38 C ATOM 463 CG PRO A 528 -7.103 6.210 -10.330 1.00 0.37 C ATOM 464 CD PRO A 528 -6.352 5.755 -9.113 1.00 0.29 C ATOM 0 HA PRO A 528 -4.959 8.492 -10.184 1.00 0.33 H new ATOM 0 HB2 PRO A 528 -7.896 8.147 -9.875 1.00 0.38 H new ATOM 0 HB3 PRO A 528 -6.970 8.083 -11.361 1.00 0.38 H new ATOM 0 HG2 PRO A 528 -8.141 5.880 -10.292 1.00 0.37 H new ATOM 0 HG3 PRO A 528 -6.668 5.789 -11.236 1.00 0.37 H new ATOM 0 HD2 PRO A 528 -6.996 5.698 -8.236 1.00 0.29 H new ATOM 0 HD3 PRO A 528 -5.915 4.766 -9.252 1.00 0.29 H new ATOM 472 N GLU A 529 -5.544 10.318 -8.711 1.00 0.41 N ATOM 473 CA GLU A 529 -5.782 11.432 -7.805 1.00 0.46 C ATOM 474 C GLU A 529 -7.260 11.790 -7.824 1.00 0.47 C ATOM 475 O GLU A 529 -7.843 11.960 -8.897 1.00 0.53 O ATOM 476 CB GLU A 529 -4.925 12.626 -8.227 1.00 0.57 C ATOM 477 CG GLU A 529 -5.090 13.859 -7.353 1.00 0.66 C ATOM 478 CD GLU A 529 -4.284 15.038 -7.862 1.00 1.12 C ATOM 479 OE1 GLU A 529 -4.810 15.823 -8.677 1.00 1.60 O ATOM 480 OE2 GLU A 529 -3.114 15.186 -7.447 1.00 1.41 O ATOM 0 H GLU A 529 -4.961 10.552 -9.514 1.00 0.41 H new ATOM 0 HA GLU A 529 -5.505 11.152 -6.789 1.00 0.46 H new ATOM 0 HB2 GLU A 529 -3.877 12.327 -8.217 1.00 0.57 H new ATOM 0 HB3 GLU A 529 -5.172 12.889 -9.256 1.00 0.57 H new ATOM 0 HG2 GLU A 529 -6.144 14.133 -7.311 1.00 0.66 H new ATOM 0 HG3 GLU A 529 -4.781 13.623 -6.334 1.00 0.66 H new ATOM 487 N GLY A 530 -7.872 11.890 -6.653 1.00 0.46 N ATOM 488 CA GLY A 530 -9.308 12.068 -6.595 1.00 0.48 C ATOM 489 C GLY A 530 -10.011 10.740 -6.424 1.00 0.43 C ATOM 490 O GLY A 530 -11.239 10.661 -6.449 1.00 0.46 O ATOM 0 H GLY A 530 -7.404 11.851 -5.748 1.00 0.46 H new ATOM 0 HA2 GLY A 530 -9.563 12.728 -5.766 1.00 0.48 H new ATOM 0 HA3 GLY A 530 -9.655 12.553 -7.507 1.00 0.48 H new ATOM 494 N SER A 531 -9.218 9.690 -6.272 1.00 0.37 N ATOM 495 CA SER A 531 -9.734 8.339 -6.128 1.00 0.35 C ATOM 496 C SER A 531 -8.782 7.495 -5.281 1.00 0.28 C ATOM 497 O SER A 531 -8.932 6.279 -5.177 1.00 0.30 O ATOM 498 CB SER A 531 -9.915 7.707 -7.502 1.00 0.40 C ATOM 499 OG SER A 531 -10.850 8.440 -8.277 1.00 1.08 O ATOM 0 H SER A 531 -8.200 9.751 -6.245 1.00 0.37 H new ATOM 0 HA SER A 531 -10.700 8.381 -5.625 1.00 0.35 H new ATOM 0 HB2 SER A 531 -8.956 7.671 -8.019 1.00 0.40 H new ATOM 0 HB3 SER A 531 -10.256 6.678 -7.391 1.00 0.40 H new ATOM 0 HG SER A 531 -11.738 8.035 -8.188 1.00 1.08 H new ATOM 505 N CYS A 532 -7.803 8.152 -4.673 1.00 0.24 N ATOM 506 CA CYS A 532 -6.867 7.478 -3.789 1.00 0.20 C ATOM 507 C CYS A 532 -7.397 7.562 -2.374 1.00 0.18 C ATOM 508 O CYS A 532 -7.053 8.481 -1.634 1.00 0.21 O ATOM 509 CB CYS A 532 -5.482 8.133 -3.834 1.00 0.21 C ATOM 510 SG CYS A 532 -4.783 8.328 -5.483 1.00 0.25 S ATOM 0 H CYS A 532 -7.638 9.153 -4.778 1.00 0.24 H new ATOM 0 HA CYS A 532 -6.768 6.442 -4.114 1.00 0.20 H new ATOM 0 HB2 CYS A 532 -5.546 9.115 -3.365 1.00 0.21 H new ATOM 0 HB3 CYS A 532 -4.795 7.537 -3.233 1.00 0.21 H new ATOM 0 HG CYS A 532 -5.686 8.044 -6.374 1.00 0.25 H new ATOM 516 N THR A 533 -8.250 6.632 -1.995 1.00 0.17 N ATOM 517 CA THR A 533 -8.817 6.683 -0.671 1.00 0.18 C ATOM 518 C THR A 533 -8.013 5.785 0.239 1.00 0.17 C ATOM 519 O THR A 533 -7.406 4.815 -0.216 1.00 0.18 O ATOM 520 CB THR A 533 -10.287 6.222 -0.653 1.00 0.26 C ATOM 521 OG1 THR A 533 -10.347 4.810 -0.874 1.00 0.35 O ATOM 522 CG2 THR A 533 -11.099 6.947 -1.719 1.00 0.28 C ATOM 0 H THR A 533 -8.558 5.850 -2.573 1.00 0.17 H new ATOM 0 HA THR A 533 -8.785 7.718 -0.332 1.00 0.18 H new ATOM 0 HB THR A 533 -10.714 6.461 0.321 1.00 0.26 H new ATOM 0 HG1 THR A 533 -11.001 4.617 -1.578 1.00 0.35 H new ATOM 0 HG21 THR A 533 -12.133 6.603 -1.685 1.00 0.28 H new ATOM 0 HG22 THR A 533 -11.067 8.021 -1.533 1.00 0.28 H new ATOM 0 HG23 THR A 533 -10.679 6.736 -2.702 1.00 0.28 H new ATOM 530 N GLU A 534 -8.007 6.102 1.517 1.00 0.19 N ATOM 531 CA GLU A 534 -7.333 5.275 2.496 1.00 0.20 C ATOM 532 C GLU A 534 -8.030 3.938 2.561 1.00 0.19 C ATOM 533 O GLU A 534 -7.403 2.896 2.734 1.00 0.20 O ATOM 534 CB GLU A 534 -7.331 5.967 3.854 1.00 0.23 C ATOM 535 CG GLU A 534 -6.788 7.395 3.799 1.00 0.27 C ATOM 536 CD GLU A 534 -7.030 8.157 5.087 1.00 0.93 C ATOM 537 OE1 GLU A 534 -7.155 7.508 6.148 1.00 1.17 O ATOM 538 OE2 GLU A 534 -7.050 9.411 5.055 1.00 1.64 O ATOM 0 H GLU A 534 -8.463 6.929 1.903 1.00 0.19 H new ATOM 0 HA GLU A 534 -6.294 5.119 2.207 1.00 0.20 H new ATOM 0 HB2 GLU A 534 -8.348 5.986 4.247 1.00 0.23 H new ATOM 0 HB3 GLU A 534 -6.731 5.383 4.552 1.00 0.23 H new ATOM 0 HG2 GLU A 534 -5.718 7.366 3.593 1.00 0.27 H new ATOM 0 HG3 GLU A 534 -7.257 7.927 2.972 1.00 0.27 H new ATOM 545 N ASN A 535 -9.340 3.990 2.384 1.00 0.20 N ATOM 546 CA ASN A 535 -10.167 2.810 2.486 1.00 0.22 C ATOM 547 C ASN A 535 -9.823 1.792 1.407 1.00 0.21 C ATOM 548 O ASN A 535 -9.577 0.652 1.732 1.00 0.21 O ATOM 549 CB ASN A 535 -11.653 3.172 2.424 1.00 0.27 C ATOM 550 CG ASN A 535 -12.148 3.818 3.705 1.00 0.96 C ATOM 551 OD1 ASN A 535 -11.407 4.516 4.397 1.00 1.82 O ATOM 552 ND2 ASN A 535 -13.408 3.589 4.034 1.00 1.38 N ATOM 0 H ASN A 535 -9.852 4.845 2.168 1.00 0.20 H new ATOM 0 HA ASN A 535 -9.963 2.355 3.455 1.00 0.22 H new ATOM 0 HB2 ASN A 535 -11.824 3.851 1.589 1.00 0.27 H new ATOM 0 HB3 ASN A 535 -12.235 2.272 2.226 1.00 0.27 H new ATOM 0 HD21 ASN A 535 -13.795 3.996 4.885 1.00 1.38 H new ATOM 0 HD22 ASN A 535 -13.993 3.005 3.436 1.00 1.38 H new ATOM 559 N ASP A 536 -9.718 2.211 0.142 1.00 0.21 N ATOM 560 CA ASP A 536 -9.520 1.256 -0.964 1.00 0.22 C ATOM 561 C ASP A 536 -8.126 0.630 -0.918 1.00 0.17 C ATOM 562 O ASP A 536 -7.961 -0.580 -1.074 1.00 0.16 O ATOM 563 CB ASP A 536 -9.727 1.934 -2.327 1.00 0.27 C ATOM 564 CG ASP A 536 -11.190 2.156 -2.670 1.00 0.37 C ATOM 565 OD1 ASP A 536 -11.839 1.213 -3.167 1.00 0.44 O ATOM 566 OD2 ASP A 536 -11.694 3.278 -2.456 1.00 0.61 O ATOM 0 H ASP A 536 -9.765 3.189 -0.144 1.00 0.21 H new ATOM 0 HA ASP A 536 -10.264 0.469 -0.840 1.00 0.22 H new ATOM 0 HB2 ASP A 536 -9.210 2.894 -2.330 1.00 0.27 H new ATOM 0 HB3 ASP A 536 -9.268 1.322 -3.103 1.00 0.27 H new ATOM 571 N VAL A 537 -7.137 1.479 -0.702 1.00 0.15 N ATOM 572 CA VAL A 537 -5.741 1.049 -0.640 1.00 0.13 C ATOM 573 C VAL A 537 -5.556 0.028 0.486 1.00 0.12 C ATOM 574 O VAL A 537 -4.981 -1.059 0.308 1.00 0.13 O ATOM 575 CB VAL A 537 -4.805 2.264 -0.429 1.00 0.12 C ATOM 576 CG1 VAL A 537 -3.341 1.864 -0.487 1.00 0.12 C ATOM 577 CG2 VAL A 537 -5.096 3.325 -1.474 1.00 0.13 C ATOM 0 H VAL A 537 -7.272 2.481 -0.565 1.00 0.15 H new ATOM 0 HA VAL A 537 -5.479 0.578 -1.587 1.00 0.13 H new ATOM 0 HB VAL A 537 -4.998 2.666 0.566 1.00 0.12 H new ATOM 0 HG11 VAL A 537 -2.717 2.745 -0.334 1.00 0.12 H new ATOM 0 HG12 VAL A 537 -3.133 1.132 0.293 1.00 0.12 H new ATOM 0 HG13 VAL A 537 -3.121 1.428 -1.462 1.00 0.12 H new ATOM 0 HG21 VAL A 537 -4.435 4.178 -1.321 1.00 0.13 H new ATOM 0 HG22 VAL A 537 -4.930 2.911 -2.469 1.00 0.13 H new ATOM 0 HG23 VAL A 537 -6.133 3.649 -1.384 1.00 0.13 H new ATOM 587 N ILE A 538 -6.089 0.369 1.639 1.00 0.12 N ATOM 588 CA ILE A 538 -6.074 -0.520 2.779 1.00 0.12 C ATOM 589 C ILE A 538 -6.979 -1.739 2.551 1.00 0.12 C ATOM 590 O ILE A 538 -6.694 -2.828 3.053 1.00 0.12 O ATOM 591 CB ILE A 538 -6.439 0.218 4.073 1.00 0.14 C ATOM 592 CG1 ILE A 538 -5.387 1.280 4.385 1.00 0.16 C ATOM 593 CG2 ILE A 538 -6.550 -0.764 5.218 1.00 0.14 C ATOM 594 CD1 ILE A 538 -5.695 2.083 5.627 1.00 0.23 C ATOM 0 H ILE A 538 -6.543 1.266 1.812 1.00 0.12 H new ATOM 0 HA ILE A 538 -5.054 -0.888 2.893 1.00 0.12 H new ATOM 0 HB ILE A 538 -7.403 0.709 3.940 1.00 0.14 H new ATOM 0 HG12 ILE A 538 -4.418 0.796 4.505 1.00 0.16 H new ATOM 0 HG13 ILE A 538 -5.302 1.957 3.535 1.00 0.16 H new ATOM 0 HG21 ILE A 538 -6.809 -0.230 6.132 1.00 0.14 H new ATOM 0 HG22 ILE A 538 -7.324 -1.498 4.994 1.00 0.14 H new ATOM 0 HG23 ILE A 538 -5.596 -1.274 5.354 1.00 0.14 H new ATOM 0 HD11 ILE A 538 -4.907 2.819 5.789 1.00 0.23 H new ATOM 0 HD12 ILE A 538 -6.649 2.595 5.502 1.00 0.23 H new ATOM 0 HD13 ILE A 538 -5.751 1.416 6.487 1.00 0.23 H new ATOM 606 N ASN A 539 -8.073 -1.558 1.802 1.00 0.12 N ATOM 607 CA ASN A 539 -8.951 -2.678 1.443 1.00 0.14 C ATOM 608 C ASN A 539 -8.160 -3.742 0.715 1.00 0.15 C ATOM 609 O ASN A 539 -8.535 -4.908 0.721 1.00 0.17 O ATOM 610 CB ASN A 539 -10.110 -2.277 0.511 1.00 0.17 C ATOM 611 CG ASN A 539 -11.219 -1.458 1.148 1.00 0.20 C ATOM 612 OD1 ASN A 539 -11.449 -1.629 2.438 1.00 0.25 O flip ATOM 613 ND2 ASN A 539 -11.870 -0.669 0.466 1.00 0.21 N flip ATOM 0 H ASN A 539 -8.370 -0.654 1.435 1.00 0.12 H new ATOM 0 HA ASN A 539 -9.364 -3.036 2.386 1.00 0.14 H new ATOM 0 HB2 ASN A 539 -9.700 -1.710 -0.324 1.00 0.17 H new ATOM 0 HB3 ASN A 539 -10.548 -3.185 0.096 1.00 0.17 H new ATOM 0 HD21 ASN A 539 -11.664 -0.563 -0.527 1.00 0.21 H new ATOM 0 HD22 ASN A 539 -12.616 -0.120 0.894 1.00 0.21 H new ATOM 620 N LEU A 540 -7.103 -3.332 0.038 1.00 0.15 N ATOM 621 CA LEU A 540 -6.225 -4.283 -0.609 1.00 0.17 C ATOM 622 C LEU A 540 -5.349 -4.973 0.429 1.00 0.16 C ATOM 623 O LEU A 540 -5.123 -6.181 0.360 1.00 0.19 O ATOM 624 CB LEU A 540 -5.329 -3.562 -1.615 1.00 0.19 C ATOM 625 CG LEU A 540 -6.057 -2.835 -2.744 1.00 0.22 C ATOM 626 CD1 LEU A 540 -5.050 -2.229 -3.704 1.00 0.27 C ATOM 627 CD2 LEU A 540 -7.003 -3.774 -3.474 1.00 0.24 C ATOM 0 H LEU A 540 -6.835 -2.355 -0.076 1.00 0.15 H new ATOM 0 HA LEU A 540 -6.834 -5.025 -1.125 1.00 0.17 H new ATOM 0 HB2 LEU A 540 -4.717 -2.839 -1.076 1.00 0.19 H new ATOM 0 HB3 LEU A 540 -4.648 -4.290 -2.055 1.00 0.19 H new ATOM 0 HG LEU A 540 -6.655 -2.033 -2.312 1.00 0.22 H new ATOM 0 HD11 LEU A 540 -5.577 -1.712 -4.506 1.00 0.27 H new ATOM 0 HD12 LEU A 540 -4.419 -1.520 -3.169 1.00 0.27 H new ATOM 0 HD13 LEU A 540 -4.430 -3.019 -4.127 1.00 0.27 H new ATOM 0 HD21 LEU A 540 -7.509 -3.232 -4.273 1.00 0.24 H new ATOM 0 HD22 LEU A 540 -6.437 -4.602 -3.900 1.00 0.24 H new ATOM 0 HD23 LEU A 540 -7.743 -4.162 -2.774 1.00 0.24 H new ATOM 639 N GLY A 541 -4.857 -4.185 1.385 1.00 0.14 N ATOM 640 CA GLY A 541 -3.986 -4.720 2.427 1.00 0.16 C ATOM 641 C GLY A 541 -4.636 -5.691 3.411 1.00 0.15 C ATOM 642 O GLY A 541 -4.147 -6.800 3.611 1.00 0.19 O ATOM 0 H GLY A 541 -5.045 -3.185 1.458 1.00 0.14 H new ATOM 0 HA2 GLY A 541 -3.148 -5.226 1.948 1.00 0.16 H new ATOM 0 HA3 GLY A 541 -3.573 -3.884 2.992 1.00 0.16 H new ATOM 646 N LEU A 542 -5.747 -5.297 4.001 1.00 0.13 N ATOM 647 CA LEU A 542 -6.308 -6.024 5.147 1.00 0.14 C ATOM 648 C LEU A 542 -6.679 -7.497 4.880 1.00 0.16 C ATOM 649 O LEU A 542 -6.445 -8.344 5.743 1.00 0.20 O ATOM 650 CB LEU A 542 -7.500 -5.268 5.711 1.00 0.13 C ATOM 651 CG LEU A 542 -7.134 -4.022 6.509 1.00 0.14 C ATOM 652 CD1 LEU A 542 -8.371 -3.198 6.798 1.00 0.16 C ATOM 653 CD2 LEU A 542 -6.439 -4.413 7.803 1.00 0.16 C ATOM 0 H LEU A 542 -6.286 -4.480 3.714 1.00 0.13 H new ATOM 0 HA LEU A 542 -5.501 -6.071 5.878 1.00 0.14 H new ATOM 0 HB2 LEU A 542 -8.154 -4.979 4.888 1.00 0.13 H new ATOM 0 HB3 LEU A 542 -8.071 -5.940 6.351 1.00 0.13 H new ATOM 0 HG LEU A 542 -6.449 -3.416 5.916 1.00 0.14 H new ATOM 0 HD11 LEU A 542 -8.093 -2.312 7.368 1.00 0.16 H new ATOM 0 HD12 LEU A 542 -8.834 -2.895 5.859 1.00 0.16 H new ATOM 0 HD13 LEU A 542 -9.078 -3.794 7.375 1.00 0.16 H new ATOM 0 HD21 LEU A 542 -6.183 -3.514 8.364 1.00 0.16 H new ATOM 0 HD22 LEU A 542 -7.105 -5.036 8.400 1.00 0.16 H new ATOM 0 HD23 LEU A 542 -5.530 -4.970 7.574 1.00 0.16 H new ATOM 665 N PRO A 543 -7.271 -7.853 3.727 1.00 0.17 N ATOM 666 CA PRO A 543 -7.663 -9.243 3.455 1.00 0.19 C ATOM 667 C PRO A 543 -6.486 -10.227 3.472 1.00 0.20 C ATOM 668 O PRO A 543 -6.680 -11.425 3.674 1.00 0.23 O ATOM 669 CB PRO A 543 -8.294 -9.168 2.060 1.00 0.22 C ATOM 670 CG PRO A 543 -8.741 -7.757 1.949 1.00 0.21 C ATOM 671 CD PRO A 543 -7.658 -6.969 2.619 1.00 0.17 C ATOM 0 HA PRO A 543 -8.334 -9.624 4.225 1.00 0.19 H new ATOM 0 HB2 PRO A 543 -7.575 -9.422 1.281 1.00 0.22 H new ATOM 0 HB3 PRO A 543 -9.129 -9.861 1.961 1.00 0.22 H new ATOM 0 HG2 PRO A 543 -8.862 -7.460 0.907 1.00 0.21 H new ATOM 0 HG3 PRO A 543 -9.703 -7.605 2.438 1.00 0.21 H new ATOM 0 HD2 PRO A 543 -6.824 -6.770 1.946 1.00 0.17 H new ATOM 0 HD3 PRO A 543 -8.018 -6.004 2.975 1.00 0.17 H new ATOM 679 N PHE A 544 -5.268 -9.735 3.253 1.00 0.20 N ATOM 680 CA PHE A 544 -4.093 -10.602 3.252 1.00 0.22 C ATOM 681 C PHE A 544 -3.270 -10.451 4.533 1.00 0.22 C ATOM 682 O PHE A 544 -2.393 -11.272 4.815 1.00 0.28 O ATOM 683 CB PHE A 544 -3.215 -10.297 2.039 1.00 0.23 C ATOM 684 CG PHE A 544 -3.912 -10.479 0.723 1.00 0.25 C ATOM 685 CD1 PHE A 544 -4.042 -11.739 0.164 1.00 0.29 C ATOM 686 CD2 PHE A 544 -4.434 -9.389 0.044 1.00 0.28 C ATOM 687 CE1 PHE A 544 -4.680 -11.910 -1.048 1.00 0.33 C ATOM 688 CE2 PHE A 544 -5.074 -9.555 -1.168 1.00 0.32 C ATOM 689 CZ PHE A 544 -5.206 -10.813 -1.710 1.00 0.33 C ATOM 0 H PHE A 544 -5.070 -8.750 3.076 1.00 0.20 H new ATOM 0 HA PHE A 544 -4.448 -11.631 3.201 1.00 0.22 H new ATOM 0 HB2 PHE A 544 -2.857 -9.270 2.111 1.00 0.23 H new ATOM 0 HB3 PHE A 544 -2.337 -10.943 2.067 1.00 0.23 H new ATOM 0 HD1 PHE A 544 -3.640 -12.597 0.682 1.00 0.29 H new ATOM 0 HD2 PHE A 544 -4.339 -8.400 0.467 1.00 0.28 H new ATOM 0 HE1 PHE A 544 -4.769 -12.896 -1.479 1.00 0.33 H new ATOM 0 HE2 PHE A 544 -5.471 -8.697 -1.691 1.00 0.32 H new ATOM 0 HZ PHE A 544 -5.719 -10.945 -2.651 1.00 0.33 H new ATOM 699 N GLY A 545 -3.546 -9.410 5.306 1.00 0.19 N ATOM 700 CA GLY A 545 -2.775 -9.159 6.508 1.00 0.21 C ATOM 701 C GLY A 545 -3.278 -7.954 7.271 1.00 0.21 C ATOM 702 O GLY A 545 -4.284 -7.359 6.905 1.00 0.44 O ATOM 0 H GLY A 545 -4.289 -8.735 5.123 1.00 0.19 H new ATOM 0 HA2 GLY A 545 -2.815 -10.037 7.153 1.00 0.21 H new ATOM 0 HA3 GLY A 545 -1.729 -9.007 6.241 1.00 0.21 H new ATOM 706 N LYS A 546 -2.577 -7.574 8.324 1.00 0.27 N ATOM 707 CA LYS A 546 -3.021 -6.461 9.144 1.00 0.25 C ATOM 708 C LYS A 546 -2.328 -5.181 8.707 1.00 0.20 C ATOM 709 O LYS A 546 -1.101 -5.109 8.688 1.00 0.24 O ATOM 710 CB LYS A 546 -2.752 -6.735 10.626 1.00 0.35 C ATOM 711 CG LYS A 546 -3.182 -5.603 11.549 1.00 0.41 C ATOM 712 CD LYS A 546 -3.008 -5.981 13.011 1.00 0.92 C ATOM 713 CE LYS A 546 -3.455 -4.862 13.939 1.00 1.60 C ATOM 714 NZ LYS A 546 -4.876 -4.482 13.718 1.00 2.07 N ATOM 0 H LYS A 546 -1.708 -8.013 8.629 1.00 0.27 H new ATOM 0 HA LYS A 546 -4.096 -6.343 9.011 1.00 0.25 H new ATOM 0 HB2 LYS A 546 -3.273 -7.647 10.918 1.00 0.35 H new ATOM 0 HB3 LYS A 546 -1.687 -6.919 10.764 1.00 0.35 H new ATOM 0 HG2 LYS A 546 -2.595 -4.711 11.330 1.00 0.41 H new ATOM 0 HG3 LYS A 546 -4.226 -5.353 11.358 1.00 0.41 H new ATOM 0 HD2 LYS A 546 -3.583 -6.882 13.225 1.00 0.92 H new ATOM 0 HD3 LYS A 546 -1.961 -6.217 13.204 1.00 0.92 H new ATOM 0 HE2 LYS A 546 -3.322 -5.176 14.974 1.00 1.60 H new ATOM 0 HE3 LYS A 546 -2.819 -3.990 13.786 1.00 1.60 H new ATOM 0 HZ1 LYS A 546 -5.206 -3.897 14.512 1.00 2.07 H new ATOM 0 HZ2 LYS A 546 -4.957 -3.942 12.833 1.00 2.07 H new ATOM 0 HZ3 LYS A 546 -5.459 -5.341 13.655 1.00 2.07 H new ATOM 728 N VAL A 547 -3.109 -4.176 8.350 1.00 0.16 N ATOM 729 CA VAL A 547 -2.560 -2.881 8.004 1.00 0.15 C ATOM 730 C VAL A 547 -2.352 -2.052 9.262 1.00 0.18 C ATOM 731 O VAL A 547 -3.308 -1.706 9.957 1.00 0.20 O ATOM 732 CB VAL A 547 -3.494 -2.142 7.025 1.00 0.16 C ATOM 733 CG1 VAL A 547 -3.014 -0.725 6.754 1.00 0.18 C ATOM 734 CG2 VAL A 547 -3.605 -2.925 5.726 1.00 0.14 C ATOM 0 H VAL A 547 -4.126 -4.234 8.293 1.00 0.16 H new ATOM 0 HA VAL A 547 -1.597 -3.029 7.515 1.00 0.15 H new ATOM 0 HB VAL A 547 -4.479 -2.070 7.486 1.00 0.16 H new ATOM 0 HG11 VAL A 547 -3.697 -0.236 6.060 1.00 0.18 H new ATOM 0 HG12 VAL A 547 -2.985 -0.166 7.689 1.00 0.18 H new ATOM 0 HG13 VAL A 547 -2.015 -0.756 6.318 1.00 0.18 H new ATOM 0 HG21 VAL A 547 -4.266 -2.398 5.039 1.00 0.14 H new ATOM 0 HG22 VAL A 547 -2.617 -3.024 5.275 1.00 0.14 H new ATOM 0 HG23 VAL A 547 -4.011 -3.915 5.932 1.00 0.14 H new ATOM 744 N THR A 548 -1.100 -1.768 9.567 1.00 0.20 N ATOM 745 CA THR A 548 -0.766 -0.974 10.733 1.00 0.23 C ATOM 746 C THR A 548 -0.521 0.484 10.367 1.00 0.23 C ATOM 747 O THR A 548 -0.887 1.392 11.114 1.00 0.27 O ATOM 748 CB THR A 548 0.481 -1.550 11.422 1.00 0.27 C ATOM 749 OG1 THR A 548 1.517 -1.743 10.450 1.00 0.26 O ATOM 750 CG2 THR A 548 0.164 -2.874 12.103 1.00 0.31 C ATOM 0 H THR A 548 -0.295 -2.077 9.021 1.00 0.20 H new ATOM 0 HA THR A 548 -1.615 -1.014 11.415 1.00 0.23 H new ATOM 0 HB THR A 548 0.814 -0.844 12.183 1.00 0.27 H new ATOM 0 HG1 THR A 548 2.313 -2.109 10.889 1.00 0.26 H new ATOM 0 HG21 THR A 548 1.063 -3.261 12.583 1.00 0.31 H new ATOM 0 HG22 THR A 548 -0.611 -2.721 12.854 1.00 0.31 H new ATOM 0 HG23 THR A 548 -0.187 -3.590 11.360 1.00 0.31 H new ATOM 758 N ASN A 549 0.055 0.701 9.195 1.00 0.20 N ATOM 759 CA ASN A 549 0.369 2.046 8.729 1.00 0.21 C ATOM 760 C ASN A 549 0.111 2.145 7.238 1.00 0.18 C ATOM 761 O ASN A 549 0.157 1.148 6.522 1.00 0.20 O ATOM 762 CB ASN A 549 1.840 2.413 9.008 1.00 0.26 C ATOM 763 CG ASN A 549 2.204 2.529 10.484 1.00 0.40 C ATOM 764 OD1 ASN A 549 1.307 3.057 11.300 1.00 1.26 O flip ATOM 765 ND2 ASN A 549 3.313 2.170 10.881 1.00 0.81 N flip ATOM 0 H ASN A 549 0.316 -0.040 8.545 1.00 0.20 H new ATOM 0 HA ASN A 549 -0.270 2.742 9.272 1.00 0.21 H new ATOM 0 HB2 ASN A 549 2.480 1.660 8.549 1.00 0.26 H new ATOM 0 HB3 ASN A 549 2.062 3.361 8.518 1.00 0.26 H new ATOM 0 HD21 ASN A 549 3.983 1.766 10.226 1.00 0.81 H new ATOM 0 HD22 ASN A 549 3.562 2.276 11.864 1.00 0.81 H new ATOM 772 N TYR A 550 -0.176 3.348 6.781 1.00 0.17 N ATOM 773 CA TYR A 550 -0.473 3.590 5.384 1.00 0.17 C ATOM 774 C TYR A 550 -0.203 5.052 5.054 1.00 0.17 C ATOM 775 O TYR A 550 -0.299 5.914 5.927 1.00 0.17 O ATOM 776 CB TYR A 550 -1.934 3.231 5.095 1.00 0.17 C ATOM 777 CG TYR A 550 -2.932 4.012 5.926 1.00 0.17 C ATOM 778 CD1 TYR A 550 -3.803 4.897 5.321 1.00 0.19 C ATOM 779 CD2 TYR A 550 -2.991 3.880 7.313 1.00 0.19 C ATOM 780 CE1 TYR A 550 -4.704 5.627 6.066 1.00 0.22 C ATOM 781 CE2 TYR A 550 -3.896 4.607 8.062 1.00 0.24 C ATOM 782 CZ TYR A 550 -4.748 5.483 7.429 1.00 0.25 C ATOM 783 OH TYR A 550 -5.656 6.218 8.154 1.00 0.31 O ATOM 0 H TYR A 550 -0.210 4.183 7.366 1.00 0.17 H new ATOM 0 HA TYR A 550 0.166 2.966 4.759 1.00 0.17 H new ATOM 0 HB2 TYR A 550 -2.139 3.406 4.039 1.00 0.17 H new ATOM 0 HB3 TYR A 550 -2.079 2.166 5.276 1.00 0.17 H new ATOM 0 HD1 TYR A 550 -3.778 5.019 4.248 1.00 0.19 H new ATOM 0 HD2 TYR A 550 -2.318 3.198 7.810 1.00 0.19 H new ATOM 0 HE1 TYR A 550 -5.377 6.314 5.575 1.00 0.22 H new ATOM 0 HE2 TYR A 550 -3.935 4.489 9.135 1.00 0.24 H new ATOM 0 HH TYR A 550 -6.237 6.716 7.542 1.00 0.31 H new ATOM 793 N ILE A 551 0.135 5.331 3.807 1.00 0.18 N ATOM 794 CA ILE A 551 0.472 6.679 3.378 1.00 0.16 C ATOM 795 C ILE A 551 -0.104 6.897 1.995 1.00 0.17 C ATOM 796 O ILE A 551 0.186 6.129 1.087 1.00 0.20 O ATOM 797 CB ILE A 551 2.002 6.882 3.305 1.00 0.18 C ATOM 798 CG1 ILE A 551 2.659 6.569 4.653 1.00 0.19 C ATOM 799 CG2 ILE A 551 2.338 8.298 2.863 1.00 0.22 C ATOM 800 CD1 ILE A 551 4.169 6.647 4.631 1.00 0.20 C ATOM 0 H ILE A 551 0.184 4.633 3.065 1.00 0.18 H new ATOM 0 HA ILE A 551 0.062 7.385 4.100 1.00 0.16 H new ATOM 0 HB ILE A 551 2.399 6.189 2.563 1.00 0.18 H new ATOM 0 HG12 ILE A 551 2.280 7.265 5.401 1.00 0.19 H new ATOM 0 HG13 ILE A 551 2.361 5.569 4.968 1.00 0.19 H new ATOM 0 HG21 ILE A 551 3.420 8.418 2.819 1.00 0.22 H new ATOM 0 HG22 ILE A 551 1.912 8.482 1.877 1.00 0.22 H new ATOM 0 HG23 ILE A 551 1.923 9.010 3.576 1.00 0.22 H new ATOM 0 HD11 ILE A 551 4.560 6.413 5.621 1.00 0.20 H new ATOM 0 HD12 ILE A 551 4.560 5.931 3.908 1.00 0.20 H new ATOM 0 HD13 ILE A 551 4.477 7.653 4.348 1.00 0.20 H new ATOM 812 N LEU A 552 -0.918 7.916 1.824 1.00 0.16 N ATOM 813 CA LEU A 552 -1.542 8.142 0.536 1.00 0.19 C ATOM 814 C LEU A 552 -0.935 9.332 -0.171 1.00 0.19 C ATOM 815 O LEU A 552 -1.024 10.458 0.314 1.00 0.26 O ATOM 816 CB LEU A 552 -3.045 8.317 0.672 1.00 0.27 C ATOM 817 CG LEU A 552 -3.825 7.065 1.007 1.00 0.30 C ATOM 818 CD1 LEU A 552 -5.291 7.359 0.841 1.00 0.43 C ATOM 819 CD2 LEU A 552 -3.407 5.898 0.127 1.00 0.42 C ATOM 0 H LEU A 552 -1.161 8.593 2.548 1.00 0.16 H new ATOM 0 HA LEU A 552 -1.356 7.256 -0.070 1.00 0.19 H new ATOM 0 HB2 LEU A 552 -3.237 9.060 1.446 1.00 0.27 H new ATOM 0 HB3 LEU A 552 -3.431 8.724 -0.263 1.00 0.27 H new ATOM 0 HG LEU A 552 -3.617 6.776 2.037 1.00 0.30 H new ATOM 0 HD11 LEU A 552 -5.870 6.467 1.078 1.00 0.43 H new ATOM 0 HD12 LEU A 552 -5.578 8.168 1.513 1.00 0.43 H new ATOM 0 HD13 LEU A 552 -5.488 7.656 -0.189 1.00 0.43 H new ATOM 0 HD21 LEU A 552 -3.987 5.015 0.394 1.00 0.42 H new ATOM 0 HD22 LEU A 552 -3.587 6.148 -0.919 1.00 0.42 H new ATOM 0 HD23 LEU A 552 -2.346 5.694 0.273 1.00 0.42 H new ATOM 831 N MET A 553 -0.361 9.097 -1.338 1.00 0.18 N ATOM 832 CA MET A 553 0.284 10.173 -2.068 1.00 0.26 C ATOM 833 C MET A 553 -0.547 10.493 -3.300 1.00 0.26 C ATOM 834 O MET A 553 -0.228 10.080 -4.417 1.00 0.25 O ATOM 835 CB MET A 553 1.695 9.742 -2.490 1.00 0.35 C ATOM 836 CG MET A 553 2.476 9.046 -1.384 1.00 0.56 C ATOM 837 SD MET A 553 3.814 8.014 -2.018 1.00 1.03 S ATOM 838 CE MET A 553 4.941 9.244 -2.661 1.00 0.80 C ATOM 0 H MET A 553 -0.328 8.185 -1.794 1.00 0.18 H new ATOM 0 HA MET A 553 0.362 11.056 -1.434 1.00 0.26 H new ATOM 0 HB2 MET A 553 1.620 9.073 -3.347 1.00 0.35 H new ATOM 0 HB3 MET A 553 2.251 10.620 -2.819 1.00 0.35 H new ATOM 0 HG2 MET A 553 2.890 9.796 -0.710 1.00 0.56 H new ATOM 0 HG3 MET A 553 1.795 8.430 -0.796 1.00 0.56 H new ATOM 0 HE1 MET A 553 5.073 9.092 -3.732 1.00 0.80 H new ATOM 0 HE2 MET A 553 4.534 10.239 -2.483 1.00 0.80 H new ATOM 0 HE3 MET A 553 5.905 9.152 -2.160 1.00 0.80 H new ATOM 848 N LYS A 554 -1.612 11.247 -3.072 1.00 0.32 N ATOM 849 CA LYS A 554 -2.479 11.724 -4.147 1.00 0.37 C ATOM 850 C LYS A 554 -1.714 12.467 -5.241 1.00 0.38 C ATOM 851 O LYS A 554 -2.094 12.411 -6.408 1.00 0.40 O ATOM 852 CB LYS A 554 -3.561 12.649 -3.573 1.00 0.47 C ATOM 853 CG LYS A 554 -4.006 12.304 -2.152 1.00 0.43 C ATOM 854 CD LYS A 554 -4.576 10.897 -2.047 1.00 0.37 C ATOM 855 CE LYS A 554 -5.090 10.606 -0.645 1.00 0.39 C ATOM 856 NZ LYS A 554 -6.289 11.410 -0.296 1.00 1.03 N ATOM 0 H LYS A 554 -1.902 11.546 -2.141 1.00 0.32 H new ATOM 0 HA LYS A 554 -2.929 10.842 -4.602 1.00 0.37 H new ATOM 0 HB2 LYS A 554 -3.188 13.673 -3.584 1.00 0.47 H new ATOM 0 HB3 LYS A 554 -4.431 12.620 -4.229 1.00 0.47 H new ATOM 0 HG2 LYS A 554 -3.157 12.400 -1.475 1.00 0.43 H new ATOM 0 HG3 LYS A 554 -4.758 13.023 -1.825 1.00 0.43 H new ATOM 0 HD2 LYS A 554 -5.387 10.778 -2.765 1.00 0.37 H new ATOM 0 HD3 LYS A 554 -3.807 10.171 -2.311 1.00 0.37 H new ATOM 0 HE2 LYS A 554 -5.332 9.546 -0.564 1.00 0.39 H new ATOM 0 HE3 LYS A 554 -4.299 10.809 0.077 1.00 0.39 H new ATOM 0 HZ1 LYS A 554 -6.697 11.057 0.593 1.00 1.03 H new ATOM 0 HZ2 LYS A 554 -6.017 12.407 -0.180 1.00 1.03 H new ATOM 0 HZ3 LYS A 554 -6.994 11.330 -1.057 1.00 1.03 H new ATOM 870 N SER A 555 -0.631 13.135 -4.875 1.00 0.40 N ATOM 871 CA SER A 555 0.078 13.997 -5.803 1.00 0.44 C ATOM 872 C SER A 555 0.797 13.191 -6.883 1.00 0.38 C ATOM 873 O SER A 555 0.718 13.511 -8.067 1.00 0.38 O ATOM 874 CB SER A 555 1.070 14.869 -5.032 1.00 0.51 C ATOM 875 OG SER A 555 1.978 14.073 -4.285 1.00 0.50 O ATOM 0 H SER A 555 -0.225 13.095 -3.940 1.00 0.40 H new ATOM 0 HA SER A 555 -0.650 14.633 -6.306 1.00 0.44 H new ATOM 0 HB2 SER A 555 1.623 15.499 -5.729 1.00 0.51 H new ATOM 0 HB3 SER A 555 0.528 15.535 -4.361 1.00 0.51 H new ATOM 0 HG SER A 555 2.602 14.654 -3.803 1.00 0.50 H new ATOM 881 N THR A 556 1.479 12.133 -6.472 1.00 0.34 N ATOM 882 CA THR A 556 2.299 11.358 -7.389 1.00 0.32 C ATOM 883 C THR A 556 1.577 10.106 -7.874 1.00 0.27 C ATOM 884 O THR A 556 2.169 9.274 -8.567 1.00 0.28 O ATOM 885 CB THR A 556 3.624 10.945 -6.725 1.00 0.36 C ATOM 886 OG1 THR A 556 3.363 10.246 -5.502 1.00 0.34 O ATOM 887 CG2 THR A 556 4.495 12.152 -6.429 1.00 0.45 C ATOM 0 H THR A 556 1.481 11.792 -5.511 1.00 0.34 H new ATOM 0 HA THR A 556 2.502 11.999 -8.246 1.00 0.32 H new ATOM 0 HB THR A 556 4.154 10.295 -7.421 1.00 0.36 H new ATOM 0 HG1 THR A 556 3.165 10.892 -4.792 1.00 0.34 H new ATOM 0 HG21 THR A 556 5.423 11.825 -5.960 1.00 0.45 H new ATOM 0 HG22 THR A 556 4.722 12.673 -7.359 1.00 0.45 H new ATOM 0 HG23 THR A 556 3.966 12.826 -5.755 1.00 0.45 H new ATOM 895 N ASN A 557 0.298 9.991 -7.516 1.00 0.26 N ATOM 896 CA ASN A 557 -0.507 8.822 -7.869 1.00 0.26 C ATOM 897 C ASN A 557 0.111 7.558 -7.280 1.00 0.21 C ATOM 898 O ASN A 557 0.134 6.493 -7.909 1.00 0.25 O ATOM 899 CB ASN A 557 -0.632 8.690 -9.393 1.00 0.31 C ATOM 900 CG ASN A 557 -1.403 9.834 -10.027 1.00 0.38 C ATOM 901 OD1 ASN A 557 -0.829 10.855 -10.414 1.00 1.09 O ATOM 902 ND2 ASN A 557 -2.707 9.671 -10.141 1.00 1.28 N ATOM 0 H ASN A 557 -0.205 10.697 -6.979 1.00 0.26 H new ATOM 0 HA ASN A 557 -1.505 8.954 -7.452 1.00 0.26 H new ATOM 0 HB2 ASN A 557 0.365 8.644 -9.831 1.00 0.31 H new ATOM 0 HB3 ASN A 557 -1.128 7.749 -9.631 1.00 0.31 H new ATOM 0 HD21 ASN A 557 -3.278 10.404 -10.562 1.00 1.28 H new ATOM 0 HD22 ASN A 557 -3.145 8.812 -9.809 1.00 1.28 H new ATOM 909 N GLN A 558 0.601 7.689 -6.056 1.00 0.17 N ATOM 910 CA GLN A 558 1.301 6.609 -5.376 1.00 0.17 C ATOM 911 C GLN A 558 0.816 6.499 -3.941 1.00 0.16 C ATOM 912 O GLN A 558 0.110 7.379 -3.457 1.00 0.20 O ATOM 913 CB GLN A 558 2.810 6.862 -5.388 1.00 0.22 C ATOM 914 CG GLN A 558 3.404 6.986 -6.778 1.00 0.29 C ATOM 915 CD GLN A 558 4.914 7.055 -6.756 1.00 0.41 C ATOM 916 OE1 GLN A 558 5.452 8.244 -6.564 1.00 0.78 O flip ATOM 917 NE2 GLN A 558 5.587 6.039 -6.867 1.00 0.84 N flip ATOM 0 H GLN A 558 0.525 8.545 -5.507 1.00 0.17 H new ATOM 0 HA GLN A 558 1.093 5.677 -5.901 1.00 0.17 H new ATOM 0 HB2 GLN A 558 3.019 7.776 -4.832 1.00 0.22 H new ATOM 0 HB3 GLN A 558 3.309 6.048 -4.862 1.00 0.22 H new ATOM 0 HG2 GLN A 558 3.091 6.134 -7.381 1.00 0.29 H new ATOM 0 HG3 GLN A 558 3.009 7.880 -7.260 1.00 0.29 H new ATOM 0 HE21 GLN A 558 5.131 5.139 -7.015 1.00 0.84 H new ATOM 0 HE22 GLN A 558 6.604 6.092 -6.812 1.00 0.84 H new ATOM 926 N ALA A 559 1.143 5.405 -3.271 1.00 0.15 N ATOM 927 CA ALA A 559 0.824 5.254 -1.864 1.00 0.14 C ATOM 928 C ALA A 559 1.717 4.197 -1.204 1.00 0.14 C ATOM 929 O ALA A 559 2.381 3.417 -1.884 1.00 0.16 O ATOM 930 CB ALA A 559 -0.648 4.915 -1.701 1.00 0.15 C ATOM 0 H ALA A 559 1.630 4.608 -3.682 1.00 0.15 H new ATOM 0 HA ALA A 559 1.019 6.200 -1.358 1.00 0.14 H new ATOM 0 HB1 ALA A 559 -0.880 4.803 -0.642 1.00 0.15 H new ATOM 0 HB2 ALA A 559 -1.255 5.716 -2.123 1.00 0.15 H new ATOM 0 HB3 ALA A 559 -0.866 3.982 -2.221 1.00 0.15 H new ATOM 936 N PHE A 560 1.747 4.200 0.117 1.00 0.14 N ATOM 937 CA PHE A 560 2.493 3.197 0.879 1.00 0.15 C ATOM 938 C PHE A 560 1.561 2.414 1.789 1.00 0.14 C ATOM 939 O PHE A 560 0.567 2.949 2.285 1.00 0.16 O ATOM 940 CB PHE A 560 3.602 3.829 1.730 1.00 0.16 C ATOM 941 CG PHE A 560 4.742 4.421 0.951 1.00 0.20 C ATOM 942 CD1 PHE A 560 5.816 3.634 0.571 1.00 0.26 C ATOM 943 CD2 PHE A 560 4.751 5.765 0.617 1.00 0.29 C ATOM 944 CE1 PHE A 560 6.877 4.175 -0.129 1.00 0.30 C ATOM 945 CE2 PHE A 560 5.809 6.312 -0.084 1.00 0.35 C ATOM 946 CZ PHE A 560 6.874 5.515 -0.457 1.00 0.30 C ATOM 0 H PHE A 560 1.262 4.888 0.693 1.00 0.14 H new ATOM 0 HA PHE A 560 2.953 2.528 0.151 1.00 0.15 H new ATOM 0 HB2 PHE A 560 3.162 4.609 2.351 1.00 0.16 H new ATOM 0 HB3 PHE A 560 3.998 3.070 2.405 1.00 0.16 H new ATOM 0 HD1 PHE A 560 5.824 2.584 0.825 1.00 0.26 H new ATOM 0 HD2 PHE A 560 3.922 6.393 0.908 1.00 0.29 H new ATOM 0 HE1 PHE A 560 7.708 3.549 -0.419 1.00 0.30 H new ATOM 0 HE2 PHE A 560 5.803 7.361 -0.340 1.00 0.35 H new ATOM 0 HZ PHE A 560 7.702 5.940 -1.004 1.00 0.30 H new ATOM 956 N LEU A 561 1.897 1.153 2.009 1.00 0.14 N ATOM 957 CA LEU A 561 1.096 0.273 2.837 1.00 0.14 C ATOM 958 C LEU A 561 2.000 -0.550 3.754 1.00 0.16 C ATOM 959 O LEU A 561 2.855 -1.299 3.286 1.00 0.18 O ATOM 960 CB LEU A 561 0.268 -0.646 1.929 1.00 0.15 C ATOM 961 CG LEU A 561 -0.721 -1.578 2.629 1.00 0.17 C ATOM 962 CD1 LEU A 561 -1.765 -0.770 3.384 1.00 0.19 C ATOM 963 CD2 LEU A 561 -1.389 -2.497 1.610 1.00 0.20 C ATOM 0 H LEU A 561 2.731 0.714 1.619 1.00 0.14 H new ATOM 0 HA LEU A 561 0.425 0.862 3.462 1.00 0.14 H new ATOM 0 HB2 LEU A 561 -0.287 -0.024 1.227 1.00 0.15 H new ATOM 0 HB3 LEU A 561 0.955 -1.255 1.341 1.00 0.15 H new ATOM 0 HG LEU A 561 -0.177 -2.192 3.346 1.00 0.17 H new ATOM 0 HD11 LEU A 561 -2.462 -1.447 3.877 1.00 0.19 H new ATOM 0 HD12 LEU A 561 -1.273 -0.148 4.132 1.00 0.19 H new ATOM 0 HD13 LEU A 561 -2.309 -0.135 2.685 1.00 0.19 H new ATOM 0 HD21 LEU A 561 -2.091 -3.156 2.120 1.00 0.20 H new ATOM 0 HD22 LEU A 561 -1.924 -1.897 0.874 1.00 0.20 H new ATOM 0 HD23 LEU A 561 -0.629 -3.095 1.107 1.00 0.20 H new ATOM 975 N GLU A 562 1.822 -0.385 5.055 1.00 0.17 N ATOM 976 CA GLU A 562 2.587 -1.152 6.033 1.00 0.20 C ATOM 977 C GLU A 562 1.743 -2.293 6.573 1.00 0.18 C ATOM 978 O GLU A 562 0.566 -2.117 6.908 1.00 0.18 O ATOM 979 CB GLU A 562 3.069 -0.263 7.179 1.00 0.27 C ATOM 980 CG GLU A 562 4.504 -0.537 7.618 1.00 0.57 C ATOM 981 CD GLU A 562 4.714 -1.923 8.206 1.00 1.17 C ATOM 982 OE1 GLU A 562 4.972 -2.871 7.438 1.00 2.09 O ATOM 983 OE2 GLU A 562 4.654 -2.062 9.450 1.00 1.21 O ATOM 0 H GLU A 562 1.156 0.272 5.461 1.00 0.17 H new ATOM 0 HA GLU A 562 3.465 -1.561 5.533 1.00 0.20 H new ATOM 0 HB2 GLU A 562 2.986 0.780 6.875 1.00 0.27 H new ATOM 0 HB3 GLU A 562 2.407 -0.399 8.034 1.00 0.27 H new ATOM 0 HG2 GLU A 562 5.166 -0.413 6.761 1.00 0.57 H new ATOM 0 HG3 GLU A 562 4.796 0.209 8.357 1.00 0.57 H new ATOM 990 N MET A 563 2.361 -3.450 6.666 1.00 0.25 N ATOM 991 CA MET A 563 1.676 -4.676 7.017 1.00 0.23 C ATOM 992 C MET A 563 2.357 -5.287 8.229 1.00 0.27 C ATOM 993 O MET A 563 3.573 -5.230 8.354 1.00 0.39 O ATOM 994 CB MET A 563 1.728 -5.626 5.821 1.00 0.25 C ATOM 995 CG MET A 563 1.277 -4.966 4.526 1.00 0.25 C ATOM 996 SD MET A 563 1.737 -5.901 3.060 1.00 0.31 S ATOM 997 CE MET A 563 1.145 -4.819 1.758 1.00 0.25 C ATOM 0 H MET A 563 3.360 -3.568 6.499 1.00 0.25 H new ATOM 0 HA MET A 563 0.632 -4.483 7.265 1.00 0.23 H new ATOM 0 HB2 MET A 563 2.746 -5.996 5.700 1.00 0.25 H new ATOM 0 HB3 MET A 563 1.096 -6.491 6.022 1.00 0.25 H new ATOM 0 HG2 MET A 563 0.194 -4.843 4.546 1.00 0.25 H new ATOM 0 HG3 MET A 563 1.710 -3.968 4.464 1.00 0.25 H new ATOM 0 HE1 MET A 563 1.312 -5.290 0.789 1.00 0.25 H new ATOM 0 HE2 MET A 563 0.079 -4.636 1.894 1.00 0.25 H new ATOM 0 HE3 MET A 563 1.684 -3.872 1.798 1.00 0.25 H new ATOM 1007 N ALA A 564 1.557 -5.864 9.120 1.00 0.28 N ATOM 1008 CA ALA A 564 2.027 -6.278 10.441 1.00 0.33 C ATOM 1009 C ALA A 564 3.152 -7.300 10.370 1.00 0.27 C ATOM 1010 O ALA A 564 3.963 -7.392 11.293 1.00 0.40 O ATOM 1011 CB ALA A 564 0.872 -6.823 11.265 1.00 0.50 C ATOM 0 H ALA A 564 0.570 -6.058 8.950 1.00 0.28 H new ATOM 0 HA ALA A 564 2.433 -5.390 10.926 1.00 0.33 H new ATOM 0 HB1 ALA A 564 1.237 -7.127 12.246 1.00 0.50 H new ATOM 0 HB2 ALA A 564 0.113 -6.050 11.384 1.00 0.50 H new ATOM 0 HB3 ALA A 564 0.437 -7.683 10.757 1.00 0.50 H new ATOM 1017 N TYR A 565 3.196 -8.072 9.292 1.00 0.27 N ATOM 1018 CA TYR A 565 4.238 -9.071 9.116 1.00 0.37 C ATOM 1019 C TYR A 565 4.696 -9.132 7.664 1.00 0.33 C ATOM 1020 O TYR A 565 3.954 -8.780 6.745 1.00 0.29 O ATOM 1021 CB TYR A 565 3.747 -10.449 9.560 1.00 0.55 C ATOM 1022 CG TYR A 565 3.511 -10.561 11.047 1.00 0.68 C ATOM 1023 CD1 TYR A 565 2.231 -10.481 11.579 1.00 0.75 C ATOM 1024 CD2 TYR A 565 4.575 -10.741 11.920 1.00 0.86 C ATOM 1025 CE1 TYR A 565 2.019 -10.577 12.941 1.00 0.90 C ATOM 1026 CE2 TYR A 565 4.372 -10.838 13.279 1.00 1.00 C ATOM 1027 CZ TYR A 565 3.093 -10.755 13.785 1.00 0.98 C ATOM 1028 OH TYR A 565 2.891 -10.852 15.143 1.00 1.15 O ATOM 0 H TYR A 565 2.522 -8.025 8.528 1.00 0.27 H new ATOM 0 HA TYR A 565 5.084 -8.779 9.738 1.00 0.37 H new ATOM 0 HB2 TYR A 565 2.820 -10.680 9.036 1.00 0.55 H new ATOM 0 HB3 TYR A 565 4.479 -11.199 9.260 1.00 0.55 H new ATOM 0 HD1 TYR A 565 1.388 -10.342 10.918 1.00 0.75 H new ATOM 0 HD2 TYR A 565 5.579 -10.806 11.527 1.00 0.86 H new ATOM 0 HE1 TYR A 565 1.018 -10.513 13.341 1.00 0.90 H new ATOM 0 HE2 TYR A 565 5.211 -10.978 13.944 1.00 1.00 H new ATOM 0 HH TYR A 565 3.752 -10.976 15.594 1.00 1.15 H new ATOM 1038 N THR A 566 5.924 -9.601 7.476 1.00 0.39 N ATOM 1039 CA THR A 566 6.526 -9.711 6.152 1.00 0.40 C ATOM 1040 C THR A 566 5.766 -10.725 5.295 1.00 0.36 C ATOM 1041 O THR A 566 5.753 -10.628 4.067 1.00 0.35 O ATOM 1042 CB THR A 566 8.026 -10.089 6.237 1.00 0.51 C ATOM 1043 OG1 THR A 566 8.641 -9.986 4.946 1.00 0.57 O ATOM 1044 CG2 THR A 566 8.216 -11.500 6.778 1.00 0.57 C ATOM 0 H THR A 566 6.529 -9.915 8.235 1.00 0.39 H new ATOM 0 HA THR A 566 6.457 -8.732 5.678 1.00 0.40 H new ATOM 0 HB THR A 566 8.501 -9.389 6.925 1.00 0.51 H new ATOM 0 HG1 THR A 566 9.589 -10.226 5.015 1.00 0.57 H new ATOM 0 HG21 THR A 566 9.280 -11.732 6.824 1.00 0.57 H new ATOM 0 HG22 THR A 566 7.786 -11.567 7.777 1.00 0.57 H new ATOM 0 HG23 THR A 566 7.718 -12.212 6.120 1.00 0.57 H new ATOM 1052 N GLU A 567 5.127 -11.690 5.961 1.00 0.38 N ATOM 1053 CA GLU A 567 4.306 -12.694 5.288 1.00 0.40 C ATOM 1054 C GLU A 567 3.193 -12.037 4.479 1.00 0.31 C ATOM 1055 O GLU A 567 2.800 -12.531 3.420 1.00 0.32 O ATOM 1056 CB GLU A 567 3.694 -13.659 6.309 1.00 0.49 C ATOM 1057 CG GLU A 567 2.895 -12.962 7.403 1.00 0.55 C ATOM 1058 CD GLU A 567 2.017 -13.912 8.189 1.00 0.71 C ATOM 1059 OE1 GLU A 567 2.470 -14.421 9.236 1.00 0.89 O ATOM 1060 OE2 GLU A 567 0.865 -14.145 7.767 1.00 0.84 O ATOM 0 H GLU A 567 5.165 -11.795 6.975 1.00 0.38 H new ATOM 0 HA GLU A 567 4.952 -13.250 4.609 1.00 0.40 H new ATOM 0 HB2 GLU A 567 3.044 -14.362 5.788 1.00 0.49 H new ATOM 0 HB3 GLU A 567 4.492 -14.242 6.769 1.00 0.49 H new ATOM 0 HG2 GLU A 567 3.583 -12.462 8.085 1.00 0.55 H new ATOM 0 HG3 GLU A 567 2.273 -12.188 6.954 1.00 0.55 H new ATOM 1067 N ALA A 568 2.695 -10.915 4.981 1.00 0.26 N ATOM 1068 CA ALA A 568 1.600 -10.215 4.340 1.00 0.24 C ATOM 1069 C ALA A 568 2.087 -9.511 3.086 1.00 0.21 C ATOM 1070 O ALA A 568 1.455 -9.588 2.034 1.00 0.22 O ATOM 1071 CB ALA A 568 0.966 -9.227 5.306 1.00 0.25 C ATOM 0 H ALA A 568 3.037 -10.472 5.834 1.00 0.26 H new ATOM 0 HA ALA A 568 0.841 -10.941 4.050 1.00 0.24 H new ATOM 0 HB1 ALA A 568 0.145 -8.709 4.810 1.00 0.25 H new ATOM 0 HB2 ALA A 568 0.585 -9.762 6.176 1.00 0.25 H new ATOM 0 HB3 ALA A 568 1.713 -8.501 5.626 1.00 0.25 H new ATOM 1077 N ALA A 569 3.244 -8.866 3.195 1.00 0.19 N ATOM 1078 CA ALA A 569 3.791 -8.076 2.104 1.00 0.21 C ATOM 1079 C ALA A 569 4.075 -8.940 0.887 1.00 0.22 C ATOM 1080 O ALA A 569 3.715 -8.583 -0.235 1.00 0.24 O ATOM 1081 CB ALA A 569 5.063 -7.379 2.558 1.00 0.23 C ATOM 0 H ALA A 569 3.822 -8.877 4.035 1.00 0.19 H new ATOM 0 HA ALA A 569 3.050 -7.328 1.820 1.00 0.21 H new ATOM 0 HB1 ALA A 569 5.468 -6.789 1.736 1.00 0.23 H new ATOM 0 HB2 ALA A 569 4.838 -6.723 3.399 1.00 0.23 H new ATOM 0 HB3 ALA A 569 5.797 -8.124 2.865 1.00 0.23 H new ATOM 1087 N GLN A 570 4.687 -10.092 1.116 1.00 0.24 N ATOM 1088 CA GLN A 570 5.042 -10.981 0.024 1.00 0.28 C ATOM 1089 C GLN A 570 3.795 -11.559 -0.631 1.00 0.27 C ATOM 1090 O GLN A 570 3.730 -11.679 -1.853 1.00 0.29 O ATOM 1091 CB GLN A 570 5.961 -12.107 0.510 1.00 0.34 C ATOM 1092 CG GLN A 570 5.378 -12.930 1.649 1.00 0.38 C ATOM 1093 CD GLN A 570 6.320 -14.001 2.177 1.00 0.51 C ATOM 1094 OE1 GLN A 570 6.298 -14.321 3.364 1.00 1.24 O ATOM 1095 NE2 GLN A 570 7.134 -14.581 1.307 1.00 1.04 N ATOM 0 H GLN A 570 4.946 -10.430 2.043 1.00 0.24 H new ATOM 0 HA GLN A 570 5.582 -10.396 -0.720 1.00 0.28 H new ATOM 0 HB2 GLN A 570 6.182 -12.769 -0.327 1.00 0.34 H new ATOM 0 HB3 GLN A 570 6.908 -11.675 0.834 1.00 0.34 H new ATOM 0 HG2 GLN A 570 5.108 -12.262 2.467 1.00 0.38 H new ATOM 0 HG3 GLN A 570 4.458 -13.405 1.308 1.00 0.38 H new ATOM 0 HE21 GLN A 570 7.126 -14.291 0.329 1.00 1.04 H new ATOM 0 HE22 GLN A 570 7.769 -15.318 1.615 1.00 1.04 H new ATOM 1104 N ALA A 571 2.798 -11.884 0.186 1.00 0.26 N ATOM 1105 CA ALA A 571 1.570 -12.486 -0.305 1.00 0.27 C ATOM 1106 C ALA A 571 0.814 -11.529 -1.215 1.00 0.25 C ATOM 1107 O ALA A 571 0.332 -11.922 -2.279 1.00 0.27 O ATOM 1108 CB ALA A 571 0.691 -12.913 0.860 1.00 0.31 C ATOM 0 H ALA A 571 2.820 -11.738 1.195 1.00 0.26 H new ATOM 0 HA ALA A 571 1.835 -13.367 -0.890 1.00 0.27 H new ATOM 0 HB1 ALA A 571 -0.226 -13.362 0.478 1.00 0.31 H new ATOM 0 HB2 ALA A 571 1.225 -13.641 1.471 1.00 0.31 H new ATOM 0 HB3 ALA A 571 0.443 -12.042 1.467 1.00 0.31 H new ATOM 1114 N MET A 572 0.721 -10.271 -0.797 1.00 0.25 N ATOM 1115 CA MET A 572 -0.011 -9.272 -1.564 1.00 0.28 C ATOM 1116 C MET A 572 0.708 -8.965 -2.866 1.00 0.24 C ATOM 1117 O MET A 572 0.082 -8.899 -3.921 1.00 0.24 O ATOM 1118 CB MET A 572 -0.207 -7.987 -0.760 1.00 0.37 C ATOM 1119 CG MET A 572 -0.781 -8.229 0.621 1.00 0.47 C ATOM 1120 SD MET A 572 -1.402 -6.735 1.401 1.00 0.36 S ATOM 1121 CE MET A 572 -1.314 -7.220 3.123 1.00 0.33 C ATOM 0 H MET A 572 1.141 -9.921 0.064 1.00 0.25 H new ATOM 0 HA MET A 572 -0.994 -9.686 -1.790 1.00 0.28 H new ATOM 0 HB2 MET A 572 0.751 -7.476 -0.664 1.00 0.37 H new ATOM 0 HB3 MET A 572 -0.870 -7.319 -1.310 1.00 0.37 H new ATOM 0 HG2 MET A 572 -1.590 -8.956 0.549 1.00 0.47 H new ATOM 0 HG3 MET A 572 -0.012 -8.669 1.255 1.00 0.47 H new ATOM 0 HE1 MET A 572 -1.441 -6.341 3.755 1.00 0.33 H new ATOM 0 HE2 MET A 572 -2.103 -7.940 3.339 1.00 0.33 H new ATOM 0 HE3 MET A 572 -0.344 -7.674 3.324 1.00 0.33 H new ATOM 1131 N VAL A 573 2.027 -8.810 -2.801 1.00 0.24 N ATOM 1132 CA VAL A 573 2.807 -8.543 -4.000 1.00 0.27 C ATOM 1133 C VAL A 573 2.615 -9.669 -5.010 1.00 0.25 C ATOM 1134 O VAL A 573 2.319 -9.417 -6.171 1.00 0.28 O ATOM 1135 CB VAL A 573 4.313 -8.370 -3.687 1.00 0.31 C ATOM 1136 CG1 VAL A 573 5.128 -8.245 -4.966 1.00 0.34 C ATOM 1137 CG2 VAL A 573 4.535 -7.152 -2.804 1.00 0.32 C ATOM 0 H VAL A 573 2.571 -8.864 -1.940 1.00 0.24 H new ATOM 0 HA VAL A 573 2.447 -7.605 -4.421 1.00 0.27 H new ATOM 0 HB VAL A 573 4.649 -9.260 -3.154 1.00 0.31 H new ATOM 0 HG11 VAL A 573 6.182 -8.125 -4.716 1.00 0.34 H new ATOM 0 HG12 VAL A 573 4.999 -9.144 -5.569 1.00 0.34 H new ATOM 0 HG13 VAL A 573 4.788 -7.377 -5.531 1.00 0.34 H new ATOM 0 HG21 VAL A 573 5.599 -7.045 -2.593 1.00 0.32 H new ATOM 0 HG22 VAL A 573 4.175 -6.260 -3.317 1.00 0.32 H new ATOM 0 HG23 VAL A 573 3.991 -7.277 -1.868 1.00 0.32 H new ATOM 1147 N GLN A 574 2.711 -10.909 -4.543 1.00 0.23 N ATOM 1148 CA GLN A 574 2.532 -12.069 -5.411 1.00 0.25 C ATOM 1149 C GLN A 574 1.135 -12.083 -6.022 1.00 0.23 C ATOM 1150 O GLN A 574 0.952 -12.475 -7.178 1.00 0.26 O ATOM 1151 CB GLN A 574 2.764 -13.364 -4.630 1.00 0.28 C ATOM 1152 CG GLN A 574 4.207 -13.572 -4.207 1.00 0.33 C ATOM 1153 CD GLN A 574 4.397 -14.810 -3.350 1.00 1.30 C ATOM 1154 OE1 GLN A 574 3.501 -15.215 -2.609 1.00 2.04 O ATOM 1155 NE2 GLN A 574 5.563 -15.424 -3.455 1.00 2.09 N ATOM 0 H GLN A 574 2.912 -11.137 -3.569 1.00 0.23 H new ATOM 0 HA GLN A 574 3.265 -11.999 -6.215 1.00 0.25 H new ATOM 0 HB2 GLN A 574 2.131 -13.361 -3.742 1.00 0.28 H new ATOM 0 HB3 GLN A 574 2.449 -14.209 -5.243 1.00 0.28 H new ATOM 0 HG2 GLN A 574 4.833 -13.651 -5.096 1.00 0.33 H new ATOM 0 HG3 GLN A 574 4.548 -12.697 -3.654 1.00 0.33 H new ATOM 0 HE21 GLN A 574 6.279 -15.055 -4.081 1.00 2.09 H new ATOM 0 HE22 GLN A 574 5.747 -16.266 -2.910 1.00 2.09 H new ATOM 1164 N TYR A 575 0.150 -11.665 -5.240 1.00 0.20 N ATOM 1165 CA TYR A 575 -1.228 -11.664 -5.701 1.00 0.20 C ATOM 1166 C TYR A 575 -1.447 -10.608 -6.782 1.00 0.20 C ATOM 1167 O TYR A 575 -1.908 -10.920 -7.874 1.00 0.22 O ATOM 1168 CB TYR A 575 -2.186 -11.420 -4.533 1.00 0.20 C ATOM 1169 CG TYR A 575 -3.643 -11.522 -4.920 1.00 0.22 C ATOM 1170 CD1 TYR A 575 -4.408 -10.378 -5.097 1.00 0.26 C ATOM 1171 CD2 TYR A 575 -4.252 -12.755 -5.105 1.00 0.33 C ATOM 1172 CE1 TYR A 575 -5.739 -10.458 -5.445 1.00 0.34 C ATOM 1173 CE2 TYR A 575 -5.585 -12.844 -5.456 1.00 0.40 C ATOM 1174 CZ TYR A 575 -6.317 -11.726 -5.637 1.00 0.39 C ATOM 1175 OH TYR A 575 -7.651 -11.774 -5.968 1.00 0.48 O ATOM 0 H TYR A 575 0.280 -11.324 -4.288 1.00 0.20 H new ATOM 0 HA TYR A 575 -1.434 -12.644 -6.131 1.00 0.20 H new ATOM 0 HB2 TYR A 575 -1.976 -12.142 -3.744 1.00 0.20 H new ATOM 0 HB3 TYR A 575 -1.996 -10.430 -4.118 1.00 0.20 H new ATOM 0 HD1 TYR A 575 -3.953 -9.408 -4.960 1.00 0.26 H new ATOM 0 HD2 TYR A 575 -3.675 -13.658 -4.973 1.00 0.33 H new ATOM 0 HE1 TYR A 575 -6.329 -9.562 -5.568 1.00 0.34 H new ATOM 0 HE2 TYR A 575 -6.043 -13.813 -5.586 1.00 0.40 H new ATOM 0 HH TYR A 575 -7.928 -12.708 -6.074 1.00 0.48 H new ATOM 1185 N TYR A 576 -1.081 -9.369 -6.475 1.00 0.21 N ATOM 1186 CA TYR A 576 -1.359 -8.238 -7.363 1.00 0.25 C ATOM 1187 C TYR A 576 -0.417 -8.174 -8.565 1.00 0.30 C ATOM 1188 O TYR A 576 -0.670 -7.427 -9.512 1.00 0.34 O ATOM 1189 CB TYR A 576 -1.345 -6.925 -6.574 1.00 0.28 C ATOM 1190 CG TYR A 576 -2.450 -6.861 -5.538 1.00 0.26 C ATOM 1191 CD1 TYR A 576 -3.749 -6.518 -5.894 1.00 0.32 C ATOM 1192 CD2 TYR A 576 -2.199 -7.167 -4.208 1.00 0.32 C ATOM 1193 CE1 TYR A 576 -4.761 -6.482 -4.952 1.00 0.31 C ATOM 1194 CE2 TYR A 576 -3.203 -7.131 -3.261 1.00 0.36 C ATOM 1195 CZ TYR A 576 -4.481 -6.789 -3.638 1.00 0.29 C ATOM 1196 OH TYR A 576 -5.488 -6.766 -2.699 1.00 0.35 O ATOM 0 H TYR A 576 -0.590 -9.118 -5.617 1.00 0.21 H new ATOM 0 HA TYR A 576 -2.357 -8.393 -7.773 1.00 0.25 H new ATOM 0 HB2 TYR A 576 -0.380 -6.812 -6.080 1.00 0.28 H new ATOM 0 HB3 TYR A 576 -1.449 -6.088 -7.265 1.00 0.28 H new ATOM 0 HD1 TYR A 576 -3.972 -6.276 -6.923 1.00 0.32 H new ATOM 0 HD2 TYR A 576 -1.198 -7.439 -3.908 1.00 0.32 H new ATOM 0 HE1 TYR A 576 -5.766 -6.215 -5.245 1.00 0.31 H new ATOM 0 HE2 TYR A 576 -2.986 -7.370 -2.230 1.00 0.36 H new ATOM 0 HH TYR A 576 -5.112 -6.545 -1.821 1.00 0.35 H new ATOM 1206 N GLN A 577 0.668 -8.934 -8.535 1.00 0.31 N ATOM 1207 CA GLN A 577 1.513 -9.056 -9.719 1.00 0.38 C ATOM 1208 C GLN A 577 0.757 -9.818 -10.800 1.00 0.37 C ATOM 1209 O GLN A 577 0.791 -9.454 -11.974 1.00 0.42 O ATOM 1210 CB GLN A 577 2.837 -9.764 -9.417 1.00 0.45 C ATOM 1211 CG GLN A 577 3.795 -8.947 -8.569 1.00 0.52 C ATOM 1212 CD GLN A 577 4.159 -7.612 -9.191 1.00 1.04 C ATOM 1213 OE1 GLN A 577 4.216 -7.468 -10.414 1.00 1.89 O ATOM 1214 NE2 GLN A 577 4.399 -6.621 -8.349 1.00 1.57 N ATOM 0 H GLN A 577 0.982 -9.466 -7.723 1.00 0.31 H new ATOM 0 HA GLN A 577 1.754 -8.050 -10.061 1.00 0.38 H new ATOM 0 HB2 GLN A 577 2.626 -10.703 -8.906 1.00 0.45 H new ATOM 0 HB3 GLN A 577 3.325 -10.016 -10.358 1.00 0.45 H new ATOM 0 HG2 GLN A 577 3.346 -8.774 -7.591 1.00 0.52 H new ATOM 0 HG3 GLN A 577 4.705 -9.523 -8.404 1.00 0.52 H new ATOM 0 HE21 GLN A 577 4.341 -6.781 -7.343 1.00 1.57 H new ATOM 0 HE22 GLN A 577 4.642 -5.697 -8.705 1.00 1.57 H new ATOM 1223 N GLU A 578 0.065 -10.873 -10.389 1.00 0.35 N ATOM 1224 CA GLU A 578 -0.725 -11.664 -11.321 1.00 0.38 C ATOM 1225 C GLU A 578 -2.138 -11.108 -11.467 1.00 0.33 C ATOM 1226 O GLU A 578 -2.693 -11.100 -12.566 1.00 0.36 O ATOM 1227 CB GLU A 578 -0.791 -13.119 -10.862 1.00 0.42 C ATOM 1228 CG GLU A 578 0.561 -13.803 -10.804 1.00 0.52 C ATOM 1229 CD GLU A 578 0.448 -15.267 -10.443 1.00 1.24 C ATOM 1230 OE1 GLU A 578 0.604 -15.604 -9.253 1.00 2.14 O ATOM 1231 OE2 GLU A 578 0.186 -16.087 -11.346 1.00 1.31 O ATOM 0 H GLU A 578 0.035 -11.198 -9.423 1.00 0.35 H new ATOM 0 HA GLU A 578 -0.234 -11.612 -12.293 1.00 0.38 H new ATOM 0 HB2 GLU A 578 -1.251 -13.158 -9.874 1.00 0.42 H new ATOM 0 HB3 GLU A 578 -1.440 -13.675 -11.538 1.00 0.42 H new ATOM 0 HG2 GLU A 578 1.056 -13.706 -11.770 1.00 0.52 H new ATOM 0 HG3 GLU A 578 1.190 -13.298 -10.071 1.00 0.52 H new ATOM 1238 N LYS A 579 -2.720 -10.643 -10.369 1.00 0.29 N ATOM 1239 CA LYS A 579 -4.065 -10.079 -10.393 1.00 0.28 C ATOM 1240 C LYS A 579 -4.099 -8.727 -9.680 1.00 0.25 C ATOM 1241 O LYS A 579 -4.426 -8.649 -8.494 1.00 0.24 O ATOM 1242 CB LYS A 579 -5.056 -11.038 -9.721 1.00 0.31 C ATOM 1243 CG LYS A 579 -5.133 -12.406 -10.376 1.00 0.42 C ATOM 1244 CD LYS A 579 -6.208 -13.268 -9.733 1.00 0.69 C ATOM 1245 CE LYS A 579 -6.331 -14.620 -10.415 1.00 1.69 C ATOM 1246 NZ LYS A 579 -5.088 -15.425 -10.299 1.00 2.46 N ATOM 0 H LYS A 579 -2.281 -10.645 -9.448 1.00 0.29 H new ATOM 0 HA LYS A 579 -4.352 -9.935 -11.435 1.00 0.28 H new ATOM 0 HB2 LYS A 579 -4.773 -11.162 -8.676 1.00 0.31 H new ATOM 0 HB3 LYS A 579 -6.048 -10.585 -9.731 1.00 0.31 H new ATOM 0 HG2 LYS A 579 -5.344 -12.291 -11.439 1.00 0.42 H new ATOM 0 HG3 LYS A 579 -4.167 -12.905 -10.295 1.00 0.42 H new ATOM 0 HD2 LYS A 579 -5.975 -13.413 -8.678 1.00 0.69 H new ATOM 0 HD3 LYS A 579 -7.166 -12.749 -9.779 1.00 0.69 H new ATOM 0 HE2 LYS A 579 -7.161 -15.172 -9.975 1.00 1.69 H new ATOM 0 HE3 LYS A 579 -6.569 -14.473 -11.468 1.00 1.69 H new ATOM 0 HZ1 LYS A 579 -5.266 -16.390 -10.642 1.00 2.46 H new ATOM 0 HZ2 LYS A 579 -4.337 -14.988 -10.870 1.00 2.46 H new ATOM 0 HZ3 LYS A 579 -4.789 -15.461 -9.303 1.00 2.46 H new ATOM 1260 N PRO A 580 -3.752 -7.645 -10.392 1.00 0.26 N ATOM 1261 CA PRO A 580 -3.758 -6.290 -9.833 1.00 0.25 C ATOM 1262 C PRO A 580 -5.174 -5.785 -9.565 1.00 0.22 C ATOM 1263 O PRO A 580 -6.147 -6.307 -10.113 1.00 0.22 O ATOM 1264 CB PRO A 580 -3.086 -5.450 -10.918 1.00 0.27 C ATOM 1265 CG PRO A 580 -3.310 -6.201 -12.179 1.00 0.37 C ATOM 1266 CD PRO A 580 -3.322 -7.656 -11.802 1.00 0.32 C ATOM 0 HA PRO A 580 -3.250 -6.244 -8.870 1.00 0.25 H new ATOM 0 HB2 PRO A 580 -3.521 -4.452 -10.970 1.00 0.27 H new ATOM 0 HB3 PRO A 580 -2.022 -5.324 -10.717 1.00 0.27 H new ATOM 0 HG2 PRO A 580 -4.253 -5.911 -12.643 1.00 0.37 H new ATOM 0 HG3 PRO A 580 -2.521 -5.992 -12.902 1.00 0.37 H new ATOM 0 HD2 PRO A 580 -4.010 -8.226 -12.426 1.00 0.32 H new ATOM 0 HD3 PRO A 580 -2.337 -8.108 -11.917 1.00 0.32 H new ATOM 1274 N ALA A 581 -5.284 -4.763 -8.728 1.00 0.22 N ATOM 1275 CA ALA A 581 -6.583 -4.217 -8.364 1.00 0.22 C ATOM 1276 C ALA A 581 -6.946 -3.077 -9.298 1.00 0.20 C ATOM 1277 O ALA A 581 -6.090 -2.291 -9.680 1.00 0.19 O ATOM 1278 CB ALA A 581 -6.565 -3.730 -6.926 1.00 0.27 C ATOM 0 H ALA A 581 -4.490 -4.296 -8.289 1.00 0.22 H new ATOM 0 HA ALA A 581 -7.333 -5.002 -8.456 1.00 0.22 H new ATOM 0 HB1 ALA A 581 -7.543 -3.324 -6.667 1.00 0.27 H new ATOM 0 HB2 ALA A 581 -6.330 -4.563 -6.263 1.00 0.27 H new ATOM 0 HB3 ALA A 581 -5.809 -2.953 -6.814 1.00 0.27 H new ATOM 1284 N ILE A 582 -8.204 -3.002 -9.685 1.00 0.23 N ATOM 1285 CA ILE A 582 -8.630 -2.013 -10.658 1.00 0.26 C ATOM 1286 C ILE A 582 -9.294 -0.811 -9.990 1.00 0.28 C ATOM 1287 O ILE A 582 -10.251 -0.960 -9.228 1.00 0.33 O ATOM 1288 CB ILE A 582 -9.609 -2.635 -11.673 1.00 0.35 C ATOM 1289 CG1 ILE A 582 -9.016 -3.922 -12.255 1.00 0.39 C ATOM 1290 CG2 ILE A 582 -9.920 -1.644 -12.785 1.00 0.39 C ATOM 1291 CD1 ILE A 582 -9.973 -4.686 -13.145 1.00 0.51 C ATOM 0 H ILE A 582 -8.947 -3.611 -9.343 1.00 0.23 H new ATOM 0 HA ILE A 582 -7.735 -1.670 -11.176 1.00 0.26 H new ATOM 0 HB ILE A 582 -10.539 -2.879 -11.159 1.00 0.35 H new ATOM 0 HG12 ILE A 582 -8.122 -3.673 -12.827 1.00 0.39 H new ATOM 0 HG13 ILE A 582 -8.701 -4.569 -11.436 1.00 0.39 H new ATOM 0 HG21 ILE A 582 -10.613 -2.098 -13.494 1.00 0.39 H new ATOM 0 HG22 ILE A 582 -10.372 -0.749 -12.358 1.00 0.39 H new ATOM 0 HG23 ILE A 582 -8.998 -1.374 -13.300 1.00 0.39 H new ATOM 0 HD11 ILE A 582 -9.483 -5.585 -13.520 1.00 0.51 H new ATOM 0 HD12 ILE A 582 -10.857 -4.967 -12.572 1.00 0.51 H new ATOM 0 HD13 ILE A 582 -10.269 -4.057 -13.985 1.00 0.51 H new ATOM 1303 N ILE A 583 -8.765 0.374 -10.273 1.00 0.28 N ATOM 1304 CA ILE A 583 -9.368 1.623 -9.828 1.00 0.33 C ATOM 1305 C ILE A 583 -9.444 2.593 -11.000 1.00 0.36 C ATOM 1306 O ILE A 583 -8.412 2.995 -11.543 1.00 0.35 O ATOM 1307 CB ILE A 583 -8.572 2.287 -8.681 1.00 0.32 C ATOM 1308 CG1 ILE A 583 -8.601 1.427 -7.411 1.00 0.32 C ATOM 1309 CG2 ILE A 583 -9.130 3.674 -8.393 1.00 0.38 C ATOM 1310 CD1 ILE A 583 -9.973 1.288 -6.791 1.00 0.51 C ATOM 0 H ILE A 583 -7.910 0.495 -10.815 1.00 0.28 H new ATOM 0 HA ILE A 583 -10.363 1.387 -9.451 1.00 0.33 H new ATOM 0 HB ILE A 583 -7.533 2.378 -8.998 1.00 0.32 H new ATOM 0 HG12 ILE A 583 -8.219 0.434 -7.649 1.00 0.32 H new ATOM 0 HG13 ILE A 583 -7.924 1.861 -6.675 1.00 0.32 H new ATOM 0 HG21 ILE A 583 -8.563 4.134 -7.584 1.00 0.38 H new ATOM 0 HG22 ILE A 583 -9.050 4.291 -9.288 1.00 0.38 H new ATOM 0 HG23 ILE A 583 -10.177 3.592 -8.101 1.00 0.38 H new ATOM 0 HD11 ILE A 583 -9.908 0.666 -5.898 1.00 0.51 H new ATOM 0 HD12 ILE A 583 -10.351 2.274 -6.519 1.00 0.51 H new ATOM 0 HD13 ILE A 583 -10.651 0.824 -7.508 1.00 0.51 H new ATOM 1322 N ASN A 584 -10.663 2.939 -11.404 1.00 0.41 N ATOM 1323 CA ASN A 584 -10.899 3.834 -12.541 1.00 0.47 C ATOM 1324 C ASN A 584 -10.240 3.291 -13.801 1.00 0.45 C ATOM 1325 O ASN A 584 -9.767 4.050 -14.650 1.00 0.50 O ATOM 1326 CB ASN A 584 -10.393 5.257 -12.267 1.00 0.55 C ATOM 1327 CG ASN A 584 -11.103 5.934 -11.112 1.00 0.62 C ATOM 1328 OD1 ASN A 584 -12.227 5.579 -10.752 1.00 1.10 O ATOM 1329 ND2 ASN A 584 -10.463 6.943 -10.545 1.00 0.91 N ATOM 0 H ASN A 584 -11.517 2.609 -10.955 1.00 0.41 H new ATOM 0 HA ASN A 584 -11.978 3.881 -12.688 1.00 0.47 H new ATOM 0 HB2 ASN A 584 -9.324 5.221 -12.056 1.00 0.55 H new ATOM 0 HB3 ASN A 584 -10.520 5.860 -13.166 1.00 0.55 H new ATOM 0 HD21 ASN A 584 -10.899 7.458 -9.780 1.00 0.91 H new ATOM 0 HD22 ASN A 584 -9.533 7.206 -10.872 1.00 0.91 H new ATOM 1336 N GLY A 585 -10.204 1.970 -13.909 1.00 0.42 N ATOM 1337 CA GLY A 585 -9.666 1.331 -15.090 1.00 0.44 C ATOM 1338 C GLY A 585 -8.154 1.197 -15.063 1.00 0.39 C ATOM 1339 O GLY A 585 -7.551 0.755 -16.041 1.00 0.42 O ATOM 0 H GLY A 585 -10.541 1.326 -13.193 1.00 0.42 H new ATOM 0 HA2 GLY A 585 -10.110 0.341 -15.193 1.00 0.44 H new ATOM 0 HA3 GLY A 585 -9.958 1.904 -15.970 1.00 0.44 H new ATOM 1343 N GLU A 586 -7.536 1.563 -13.947 1.00 0.35 N ATOM 1344 CA GLU A 586 -6.087 1.471 -13.820 1.00 0.32 C ATOM 1345 C GLU A 586 -5.696 0.378 -12.831 1.00 0.24 C ATOM 1346 O GLU A 586 -6.216 0.317 -11.717 1.00 0.26 O ATOM 1347 CB GLU A 586 -5.494 2.816 -13.397 1.00 0.43 C ATOM 1348 CG GLU A 586 -5.642 3.895 -14.457 1.00 0.57 C ATOM 1349 CD GLU A 586 -4.972 5.196 -14.070 1.00 0.91 C ATOM 1350 OE1 GLU A 586 -3.726 5.263 -14.107 1.00 0.90 O ATOM 1351 OE2 GLU A 586 -5.688 6.169 -13.754 1.00 1.79 O ATOM 0 H GLU A 586 -8.012 1.925 -13.121 1.00 0.35 H new ATOM 0 HA GLU A 586 -5.679 1.208 -14.796 1.00 0.32 H new ATOM 0 HB2 GLU A 586 -5.980 3.148 -12.480 1.00 0.43 H new ATOM 0 HB3 GLU A 586 -4.437 2.684 -13.168 1.00 0.43 H new ATOM 0 HG2 GLU A 586 -5.216 3.537 -15.394 1.00 0.57 H new ATOM 0 HG3 GLU A 586 -6.701 4.077 -14.637 1.00 0.57 H new ATOM 1358 N LYS A 587 -4.817 -0.509 -13.278 1.00 0.21 N ATOM 1359 CA LYS A 587 -4.322 -1.610 -12.455 1.00 0.19 C ATOM 1360 C LYS A 587 -3.359 -1.109 -11.383 1.00 0.17 C ATOM 1361 O LYS A 587 -2.349 -0.480 -11.693 1.00 0.22 O ATOM 1362 CB LYS A 587 -3.599 -2.627 -13.336 1.00 0.23 C ATOM 1363 CG LYS A 587 -4.364 -3.011 -14.592 1.00 0.33 C ATOM 1364 CD LYS A 587 -5.652 -3.752 -14.276 1.00 1.14 C ATOM 1365 CE LYS A 587 -6.405 -4.117 -15.546 1.00 1.10 C ATOM 1366 NZ LYS A 587 -5.575 -4.927 -16.475 1.00 1.67 N ATOM 0 H LYS A 587 -4.426 -0.488 -14.220 1.00 0.21 H new ATOM 0 HA LYS A 587 -5.178 -2.075 -11.966 1.00 0.19 H new ATOM 0 HB2 LYS A 587 -2.630 -2.219 -13.624 1.00 0.23 H new ATOM 0 HB3 LYS A 587 -3.406 -3.526 -12.751 1.00 0.23 H new ATOM 0 HG2 LYS A 587 -4.595 -2.112 -15.164 1.00 0.33 H new ATOM 0 HG3 LYS A 587 -3.732 -3.636 -15.223 1.00 0.33 H new ATOM 0 HD2 LYS A 587 -5.425 -4.657 -13.713 1.00 1.14 H new ATOM 0 HD3 LYS A 587 -6.285 -3.132 -13.641 1.00 1.14 H new ATOM 0 HE2 LYS A 587 -7.305 -4.674 -15.286 1.00 1.10 H new ATOM 0 HE3 LYS A 587 -6.728 -3.206 -16.050 1.00 1.10 H new ATOM 0 HZ1 LYS A 587 -6.183 -5.351 -17.204 1.00 1.67 H new ATOM 0 HZ2 LYS A 587 -4.865 -4.317 -16.928 1.00 1.67 H new ATOM 0 HZ3 LYS A 587 -5.095 -5.681 -15.944 1.00 1.67 H new ATOM 1380 N LEU A 588 -3.667 -1.397 -10.129 1.00 0.15 N ATOM 1381 CA LEU A 588 -2.821 -0.998 -9.018 1.00 0.15 C ATOM 1382 C LEU A 588 -1.667 -1.975 -8.846 1.00 0.17 C ATOM 1383 O LEU A 588 -1.860 -3.192 -8.867 1.00 0.21 O ATOM 1384 CB LEU A 588 -3.637 -0.937 -7.727 1.00 0.16 C ATOM 1385 CG LEU A 588 -4.909 -0.095 -7.804 1.00 0.18 C ATOM 1386 CD1 LEU A 588 -5.590 -0.043 -6.451 1.00 0.24 C ATOM 1387 CD2 LEU A 588 -4.601 1.304 -8.303 1.00 0.16 C ATOM 0 H LEU A 588 -4.505 -1.910 -9.854 1.00 0.15 H new ATOM 0 HA LEU A 588 -2.417 -0.009 -9.235 1.00 0.15 H new ATOM 0 HB2 LEU A 588 -3.909 -1.952 -7.439 1.00 0.16 H new ATOM 0 HB3 LEU A 588 -3.004 -0.539 -6.934 1.00 0.16 H new ATOM 0 HG LEU A 588 -5.588 -0.564 -8.515 1.00 0.18 H new ATOM 0 HD11 LEU A 588 -6.495 0.561 -6.522 1.00 0.24 H new ATOM 0 HD12 LEU A 588 -5.852 -1.053 -6.136 1.00 0.24 H new ATOM 0 HD13 LEU A 588 -4.914 0.401 -5.720 1.00 0.24 H new ATOM 0 HD21 LEU A 588 -5.522 1.885 -8.349 1.00 0.16 H new ATOM 0 HD22 LEU A 588 -3.901 1.788 -7.621 1.00 0.16 H new ATOM 0 HD23 LEU A 588 -4.158 1.246 -9.297 1.00 0.16 H new ATOM 1399 N LEU A 589 -0.476 -1.434 -8.667 1.00 0.17 N ATOM 1400 CA LEU A 589 0.722 -2.249 -8.561 1.00 0.19 C ATOM 1401 C LEU A 589 1.313 -2.168 -7.156 1.00 0.18 C ATOM 1402 O LEU A 589 1.769 -1.106 -6.729 1.00 0.18 O ATOM 1403 CB LEU A 589 1.751 -1.807 -9.604 1.00 0.23 C ATOM 1404 CG LEU A 589 3.014 -2.661 -9.678 1.00 0.30 C ATOM 1405 CD1 LEU A 589 2.665 -4.092 -10.046 1.00 0.37 C ATOM 1406 CD2 LEU A 589 3.986 -2.080 -10.690 1.00 0.38 C ATOM 0 H LEU A 589 -0.311 -0.430 -8.592 1.00 0.17 H new ATOM 0 HA LEU A 589 0.452 -3.288 -8.752 1.00 0.19 H new ATOM 0 HB2 LEU A 589 1.274 -1.808 -10.584 1.00 0.23 H new ATOM 0 HB3 LEU A 589 2.040 -0.778 -9.391 1.00 0.23 H new ATOM 0 HG LEU A 589 3.490 -2.660 -8.697 1.00 0.30 H new ATOM 0 HD11 LEU A 589 3.576 -4.688 -10.095 1.00 0.37 H new ATOM 0 HD12 LEU A 589 1.998 -4.510 -9.291 1.00 0.37 H new ATOM 0 HD13 LEU A 589 2.169 -4.108 -11.017 1.00 0.37 H new ATOM 0 HD21 LEU A 589 4.882 -2.700 -10.732 1.00 0.38 H new ATOM 0 HD22 LEU A 589 3.516 -2.055 -11.673 1.00 0.38 H new ATOM 0 HD23 LEU A 589 4.259 -1.067 -10.393 1.00 0.38 H new ATOM 1418 N ILE A 590 1.283 -3.285 -6.434 1.00 0.18 N ATOM 1419 CA ILE A 590 1.863 -3.356 -5.098 1.00 0.18 C ATOM 1420 C ILE A 590 3.235 -4.032 -5.150 1.00 0.20 C ATOM 1421 O ILE A 590 3.372 -5.129 -5.695 1.00 0.26 O ATOM 1422 CB ILE A 590 0.947 -4.127 -4.116 1.00 0.19 C ATOM 1423 CG1 ILE A 590 -0.447 -3.486 -4.072 1.00 0.19 C ATOM 1424 CG2 ILE A 590 1.564 -4.164 -2.724 1.00 0.19 C ATOM 1425 CD1 ILE A 590 -1.347 -4.025 -2.976 1.00 0.21 C ATOM 0 H ILE A 590 0.861 -4.156 -6.755 1.00 0.18 H new ATOM 0 HA ILE A 590 1.969 -2.334 -4.735 1.00 0.18 H new ATOM 0 HB ILE A 590 0.845 -5.153 -4.471 1.00 0.19 H new ATOM 0 HG12 ILE A 590 -0.335 -2.410 -3.938 1.00 0.19 H new ATOM 0 HG13 ILE A 590 -0.935 -3.639 -5.035 1.00 0.19 H new ATOM 0 HG21 ILE A 590 0.905 -4.710 -2.049 1.00 0.19 H new ATOM 0 HG22 ILE A 590 2.532 -4.662 -2.768 1.00 0.19 H new ATOM 0 HG23 ILE A 590 1.696 -3.146 -2.358 1.00 0.19 H new ATOM 0 HD11 ILE A 590 -2.312 -3.519 -3.016 1.00 0.21 H new ATOM 0 HD12 ILE A 590 -1.493 -5.096 -3.119 1.00 0.21 H new ATOM 0 HD13 ILE A 590 -0.884 -3.848 -2.005 1.00 0.21 H new ATOM 1437 N ARG A 591 4.243 -3.370 -4.586 1.00 0.18 N ATOM 1438 CA ARG A 591 5.620 -3.870 -4.611 1.00 0.22 C ATOM 1439 C ARG A 591 6.362 -3.461 -3.344 1.00 0.18 C ATOM 1440 O ARG A 591 5.935 -2.559 -2.632 1.00 0.19 O ATOM 1441 CB ARG A 591 6.374 -3.322 -5.823 1.00 0.33 C ATOM 1442 CG ARG A 591 5.899 -3.881 -7.149 1.00 0.45 C ATOM 1443 CD ARG A 591 6.757 -3.382 -8.294 1.00 0.65 C ATOM 1444 NE ARG A 591 8.164 -3.734 -8.111 1.00 1.33 N ATOM 1445 CZ ARG A 591 8.983 -4.066 -9.102 1.00 1.69 C ATOM 1446 NH1 ARG A 591 8.532 -4.136 -10.347 1.00 1.56 N ATOM 1447 NH2 ARG A 591 10.255 -4.336 -8.842 1.00 2.62 N ATOM 0 H ARG A 591 4.132 -2.479 -4.102 1.00 0.18 H new ATOM 0 HA ARG A 591 5.575 -4.957 -4.673 1.00 0.22 H new ATOM 0 HB2 ARG A 591 6.273 -2.237 -5.841 1.00 0.33 H new ATOM 0 HB3 ARG A 591 7.435 -3.541 -5.707 1.00 0.33 H new ATOM 0 HG2 ARG A 591 5.927 -4.970 -7.118 1.00 0.45 H new ATOM 0 HG3 ARG A 591 4.861 -3.593 -7.317 1.00 0.45 H new ATOM 0 HD2 ARG A 591 6.395 -3.806 -9.231 1.00 0.65 H new ATOM 0 HD3 ARG A 591 6.661 -2.299 -8.375 1.00 0.65 H new ATOM 0 HE ARG A 591 8.540 -3.724 -7.163 1.00 1.33 H new ATOM 0 HH11 ARG A 591 7.552 -3.934 -10.547 1.00 1.56 H new ATOM 0 HH12 ARG A 591 9.165 -4.391 -11.105 1.00 1.56 H new ATOM 0 HH21 ARG A 591 10.601 -4.288 -7.884 1.00 2.62 H new ATOM 0 HH22 ARG A 591 10.887 -4.591 -9.600 1.00 2.62 H new ATOM 1461 N MET A 592 7.474 -4.129 -3.069 1.00 0.17 N ATOM 1462 CA MET A 592 8.309 -3.783 -1.923 1.00 0.18 C ATOM 1463 C MET A 592 9.252 -2.644 -2.294 1.00 0.21 C ATOM 1464 O MET A 592 9.890 -2.683 -3.347 1.00 0.29 O ATOM 1465 CB MET A 592 9.100 -4.998 -1.442 1.00 0.19 C ATOM 1466 CG MET A 592 8.215 -6.125 -0.937 1.00 0.22 C ATOM 1467 SD MET A 592 9.157 -7.503 -0.262 1.00 0.29 S ATOM 1468 CE MET A 592 7.827 -8.600 0.223 1.00 0.34 C ATOM 0 H MET A 592 7.820 -4.913 -3.622 1.00 0.17 H new ATOM 0 HA MET A 592 7.664 -3.457 -1.107 1.00 0.18 H new ATOM 0 HB2 MET A 592 9.718 -5.368 -2.260 1.00 0.19 H new ATOM 0 HB3 MET A 592 9.777 -4.691 -0.645 1.00 0.19 H new ATOM 0 HG2 MET A 592 7.545 -5.738 -0.169 1.00 0.22 H new ATOM 0 HG3 MET A 592 7.590 -6.484 -1.755 1.00 0.22 H new ATOM 0 HE1 MET A 592 8.215 -9.612 0.341 1.00 0.34 H new ATOM 0 HE2 MET A 592 7.403 -8.262 1.168 1.00 0.34 H new ATOM 0 HE3 MET A 592 7.053 -8.595 -0.545 1.00 0.34 H new ATOM 1478 N SER A 593 9.344 -1.639 -1.431 1.00 0.23 N ATOM 1479 CA SER A 593 10.132 -0.449 -1.727 1.00 0.26 C ATOM 1480 C SER A 593 11.627 -0.685 -1.551 1.00 0.25 C ATOM 1481 O SER A 593 12.079 -1.266 -0.564 1.00 0.27 O ATOM 1482 CB SER A 593 9.688 0.712 -0.846 1.00 0.34 C ATOM 1483 OG SER A 593 8.351 1.074 -1.131 1.00 1.37 O ATOM 0 H SER A 593 8.883 -1.625 -0.521 1.00 0.23 H new ATOM 0 HA SER A 593 9.958 -0.205 -2.775 1.00 0.26 H new ATOM 0 HB2 SER A 593 9.778 0.433 0.204 1.00 0.34 H new ATOM 0 HB3 SER A 593 10.344 1.568 -1.006 1.00 0.34 H new ATOM 0 HG SER A 593 7.763 0.308 -0.967 1.00 1.37 H new ATOM 1489 N THR A 594 12.380 -0.202 -2.522 1.00 0.27 N ATOM 1490 CA THR A 594 13.825 -0.335 -2.537 1.00 0.30 C ATOM 1491 C THR A 594 14.506 0.836 -1.828 1.00 0.31 C ATOM 1492 O THR A 594 15.680 0.756 -1.466 1.00 0.33 O ATOM 1493 CB THR A 594 14.328 -0.412 -3.988 1.00 0.35 C ATOM 1494 OG1 THR A 594 13.706 0.626 -4.758 1.00 0.38 O ATOM 1495 CG2 THR A 594 14.016 -1.767 -4.605 1.00 0.38 C ATOM 0 H THR A 594 12.003 0.297 -3.328 1.00 0.27 H new ATOM 0 HA THR A 594 14.078 -1.251 -2.004 1.00 0.30 H new ATOM 0 HB THR A 594 15.410 -0.281 -3.989 1.00 0.35 H new ATOM 0 HG1 THR A 594 14.025 0.582 -5.684 1.00 0.38 H new ATOM 0 HG21 THR A 594 14.383 -1.793 -5.631 1.00 0.38 H new ATOM 0 HG22 THR A 594 14.503 -2.551 -4.026 1.00 0.38 H new ATOM 0 HG23 THR A 594 12.938 -1.929 -4.601 1.00 0.38 H new ATOM 1503 N ARG A 595 13.755 1.913 -1.613 1.00 0.32 N ATOM 1504 CA ARG A 595 14.337 3.163 -1.134 1.00 0.37 C ATOM 1505 C ARG A 595 14.111 3.389 0.360 1.00 0.37 C ATOM 1506 O ARG A 595 14.916 4.049 1.015 1.00 0.41 O ATOM 1507 CB ARG A 595 13.773 4.342 -1.929 1.00 0.41 C ATOM 1508 CG ARG A 595 14.251 4.384 -3.370 1.00 0.46 C ATOM 1509 CD ARG A 595 13.510 5.434 -4.183 1.00 0.56 C ATOM 1510 NE ARG A 595 13.628 6.776 -3.610 1.00 1.36 N ATOM 1511 CZ ARG A 595 13.247 7.889 -4.240 1.00 1.67 C ATOM 1512 NH1 ARG A 595 12.748 7.824 -5.469 1.00 1.16 N ATOM 1513 NH2 ARG A 595 13.363 9.066 -3.637 1.00 2.75 N ATOM 0 H ARG A 595 12.746 1.945 -1.762 1.00 0.32 H new ATOM 0 HA ARG A 595 15.414 3.090 -1.287 1.00 0.37 H new ATOM 0 HB2 ARG A 595 12.684 4.291 -1.917 1.00 0.41 H new ATOM 0 HB3 ARG A 595 14.054 5.272 -1.434 1.00 0.41 H new ATOM 0 HG2 ARG A 595 15.320 4.596 -3.392 1.00 0.46 H new ATOM 0 HG3 ARG A 595 14.111 3.405 -3.828 1.00 0.46 H new ATOM 0 HD2 ARG A 595 13.900 5.442 -5.201 1.00 0.56 H new ATOM 0 HD3 ARG A 595 12.457 5.162 -4.247 1.00 0.56 H new ATOM 0 HE ARG A 595 14.025 6.866 -2.675 1.00 1.36 H new ATOM 0 HH11 ARG A 595 12.655 6.921 -5.935 1.00 1.16 H new ATOM 0 HH12 ARG A 595 12.458 8.677 -5.947 1.00 1.16 H new ATOM 0 HH21 ARG A 595 13.743 9.120 -2.692 1.00 2.75 H new ATOM 0 HH22 ARG A 595 13.072 9.917 -4.119 1.00 2.75 H new ATOM 1527 N TYR A 596 13.029 2.846 0.901 1.00 0.35 N ATOM 1528 CA TYR A 596 12.686 3.090 2.300 1.00 0.37 C ATOM 1529 C TYR A 596 12.487 1.800 3.076 1.00 0.35 C ATOM 1530 O TYR A 596 11.971 0.814 2.553 1.00 0.36 O ATOM 1531 CB TYR A 596 11.438 3.968 2.405 1.00 0.39 C ATOM 1532 CG TYR A 596 11.699 5.416 2.064 1.00 0.43 C ATOM 1533 CD1 TYR A 596 11.612 5.869 0.756 1.00 0.48 C ATOM 1534 CD2 TYR A 596 12.051 6.327 3.051 1.00 0.54 C ATOM 1535 CE1 TYR A 596 11.868 7.189 0.441 1.00 0.54 C ATOM 1536 CE2 TYR A 596 12.304 7.649 2.745 1.00 0.61 C ATOM 1537 CZ TYR A 596 12.213 8.074 1.438 1.00 0.56 C ATOM 1538 OH TYR A 596 12.473 9.388 1.127 1.00 0.65 O ATOM 0 H TYR A 596 12.378 2.240 0.401 1.00 0.35 H new ATOM 0 HA TYR A 596 13.530 3.614 2.748 1.00 0.37 H new ATOM 0 HB2 TYR A 596 10.670 3.577 1.738 1.00 0.39 H new ATOM 0 HB3 TYR A 596 11.042 3.906 3.419 1.00 0.39 H new ATOM 0 HD1 TYR A 596 11.340 5.179 -0.029 1.00 0.48 H new ATOM 0 HD2 TYR A 596 12.128 5.995 4.076 1.00 0.54 H new ATOM 0 HE1 TYR A 596 11.798 7.526 -0.583 1.00 0.54 H new ATOM 0 HE2 TYR A 596 12.572 8.346 3.526 1.00 0.61 H new ATOM 0 HH TYR A 596 12.700 9.879 1.944 1.00 0.65 H new ATOM 1548 N LYS A 597 12.944 1.821 4.323 1.00 0.38 N ATOM 1549 CA LYS A 597 12.797 0.693 5.231 1.00 0.41 C ATOM 1550 C LYS A 597 11.802 1.000 6.348 1.00 0.41 C ATOM 1551 O LYS A 597 11.465 0.125 7.145 1.00 0.48 O ATOM 1552 CB LYS A 597 14.146 0.285 5.837 1.00 0.50 C ATOM 1553 CG LYS A 597 15.100 -0.375 4.850 1.00 0.62 C ATOM 1554 CD LYS A 597 15.661 0.612 3.836 1.00 1.29 C ATOM 1555 CE LYS A 597 16.537 -0.081 2.806 1.00 1.67 C ATOM 1556 NZ LYS A 597 17.675 -0.790 3.441 1.00 2.18 N ATOM 0 H LYS A 597 13.427 2.621 4.732 1.00 0.38 H new ATOM 0 HA LYS A 597 12.412 -0.139 4.642 1.00 0.41 H new ATOM 0 HB2 LYS A 597 14.627 1.170 6.253 1.00 0.50 H new ATOM 0 HB3 LYS A 597 13.967 -0.400 6.666 1.00 0.50 H new ATOM 0 HG2 LYS A 597 15.922 -0.836 5.397 1.00 0.62 H new ATOM 0 HG3 LYS A 597 14.578 -1.175 4.324 1.00 0.62 H new ATOM 0 HD2 LYS A 597 14.840 1.123 3.332 1.00 1.29 H new ATOM 0 HD3 LYS A 597 16.242 1.376 4.354 1.00 1.29 H new ATOM 0 HE2 LYS A 597 15.937 -0.792 2.237 1.00 1.67 H new ATOM 0 HE3 LYS A 597 16.917 0.655 2.097 1.00 1.67 H new ATOM 0 HZ1 LYS A 597 18.357 -1.076 2.710 1.00 2.18 H new ATOM 0 HZ2 LYS A 597 18.142 -0.157 4.122 1.00 2.18 H new ATOM 0 HZ3 LYS A 597 17.325 -1.634 3.937 1.00 2.18 H new ATOM 1570 N GLU A 598 11.329 2.239 6.418 1.00 0.38 N ATOM 1571 CA GLU A 598 10.439 2.638 7.497 1.00 0.41 C ATOM 1572 C GLU A 598 9.358 3.586 6.991 1.00 0.34 C ATOM 1573 O GLU A 598 9.564 4.329 6.032 1.00 0.33 O ATOM 1574 CB GLU A 598 11.241 3.321 8.611 1.00 0.55 C ATOM 1575 CG GLU A 598 10.405 3.754 9.807 1.00 0.62 C ATOM 1576 CD GLU A 598 11.213 4.538 10.819 1.00 0.80 C ATOM 1577 OE1 GLU A 598 12.058 3.932 11.508 1.00 0.95 O ATOM 1578 OE2 GLU A 598 11.008 5.764 10.930 1.00 0.91 O ATOM 0 H GLU A 598 11.545 2.976 5.747 1.00 0.38 H new ATOM 0 HA GLU A 598 9.958 1.742 7.889 1.00 0.41 H new ATOM 0 HB2 GLU A 598 12.019 2.639 8.954 1.00 0.55 H new ATOM 0 HB3 GLU A 598 11.743 4.195 8.198 1.00 0.55 H new ATOM 0 HG2 GLU A 598 9.569 4.363 9.462 1.00 0.62 H new ATOM 0 HG3 GLU A 598 9.980 2.873 10.288 1.00 0.62 H new ATOM 1585 N LEU A 599 8.212 3.549 7.658 1.00 0.36 N ATOM 1586 CA LEU A 599 7.100 4.426 7.333 1.00 0.32 C ATOM 1587 C LEU A 599 6.690 5.226 8.556 1.00 0.33 C ATOM 1588 O LEU A 599 6.338 4.661 9.593 1.00 0.37 O ATOM 1589 CB LEU A 599 5.901 3.627 6.809 1.00 0.33 C ATOM 1590 CG LEU A 599 6.153 2.830 5.528 1.00 0.37 C ATOM 1591 CD1 LEU A 599 4.867 2.212 5.018 1.00 0.45 C ATOM 1592 CD2 LEU A 599 6.766 3.712 4.455 1.00 0.33 C ATOM 0 H LEU A 599 8.030 2.913 8.435 1.00 0.36 H new ATOM 0 HA LEU A 599 7.427 5.108 6.548 1.00 0.32 H new ATOM 0 HB2 LEU A 599 5.577 2.937 7.588 1.00 0.33 H new ATOM 0 HB3 LEU A 599 5.076 4.317 6.631 1.00 0.33 H new ATOM 0 HG LEU A 599 6.855 2.031 5.765 1.00 0.37 H new ATOM 0 HD11 LEU A 599 5.070 1.650 4.106 1.00 0.45 H new ATOM 0 HD12 LEU A 599 4.460 1.541 5.775 1.00 0.45 H new ATOM 0 HD13 LEU A 599 4.144 3.000 4.805 1.00 0.45 H new ATOM 0 HD21 LEU A 599 6.936 3.123 3.554 1.00 0.33 H new ATOM 0 HD22 LEU A 599 6.087 4.534 4.229 1.00 0.33 H new ATOM 0 HD23 LEU A 599 7.715 4.112 4.811 1.00 0.33 H new ATOM 1604 N GLN A 600 6.746 6.538 8.437 1.00 0.36 N ATOM 1605 CA GLN A 600 6.335 7.414 9.514 1.00 0.44 C ATOM 1606 C GLN A 600 5.069 8.161 9.119 1.00 0.39 C ATOM 1607 O GLN A 600 5.040 8.837 8.089 1.00 0.43 O ATOM 1608 CB GLN A 600 7.445 8.409 9.859 1.00 0.59 C ATOM 1609 CG GLN A 600 7.062 9.384 10.961 1.00 0.85 C ATOM 1610 CD GLN A 600 8.134 10.418 11.227 1.00 1.10 C ATOM 1611 OE1 GLN A 600 8.068 11.530 10.513 1.00 1.52 O flip ATOM 1612 NE2 GLN A 600 9.013 10.221 12.065 1.00 1.34 N flip ATOM 0 H GLN A 600 7.074 7.022 7.601 1.00 0.36 H new ATOM 0 HA GLN A 600 6.134 6.806 10.396 1.00 0.44 H new ATOM 0 HB2 GLN A 600 8.334 7.858 10.165 1.00 0.59 H new ATOM 0 HB3 GLN A 600 7.710 8.971 8.963 1.00 0.59 H new ATOM 0 HG2 GLN A 600 6.136 9.889 10.687 1.00 0.85 H new ATOM 0 HG3 GLN A 600 6.863 8.829 11.878 1.00 0.85 H new ATOM 0 HE21 GLN A 600 9.027 9.349 12.594 1.00 1.34 H new ATOM 0 HE22 GLN A 600 9.728 10.930 12.231 1.00 1.34 H new ATOM 1621 N LEU A 601 4.029 8.036 9.932 1.00 0.37 N ATOM 1622 CA LEU A 601 2.765 8.699 9.652 1.00 0.34 C ATOM 1623 C LEU A 601 2.852 10.188 9.969 1.00 0.39 C ATOM 1624 O LEU A 601 2.573 10.615 11.091 1.00 0.46 O ATOM 1625 CB LEU A 601 1.622 8.059 10.446 1.00 0.36 C ATOM 1626 CG LEU A 601 1.352 6.585 10.134 1.00 0.34 C ATOM 1627 CD1 LEU A 601 0.092 6.119 10.842 1.00 0.46 C ATOM 1628 CD2 LEU A 601 1.230 6.365 8.635 1.00 0.32 C ATOM 0 H LEU A 601 4.036 7.483 10.789 1.00 0.37 H new ATOM 0 HA LEU A 601 2.557 8.580 8.589 1.00 0.34 H new ATOM 0 HB2 LEU A 601 1.843 8.153 11.509 1.00 0.36 H new ATOM 0 HB3 LEU A 601 0.710 8.626 10.259 1.00 0.36 H new ATOM 0 HG LEU A 601 2.195 5.997 10.497 1.00 0.34 H new ATOM 0 HD11 LEU A 601 -0.088 5.069 10.611 1.00 0.46 H new ATOM 0 HD12 LEU A 601 0.214 6.238 11.919 1.00 0.46 H new ATOM 0 HD13 LEU A 601 -0.756 6.715 10.505 1.00 0.46 H new ATOM 0 HD21 LEU A 601 1.038 5.311 8.436 1.00 0.32 H new ATOM 0 HD22 LEU A 601 0.406 6.963 8.245 1.00 0.32 H new ATOM 0 HD23 LEU A 601 2.158 6.663 8.147 1.00 0.32 H new ATOM 1640 N LYS A 602 3.245 10.970 8.972 1.00 0.41 N ATOM 1641 CA LYS A 602 3.344 12.418 9.108 1.00 0.48 C ATOM 1642 C LYS A 602 1.954 13.051 9.124 1.00 0.46 C ATOM 1643 O LYS A 602 1.792 14.220 9.474 1.00 0.51 O ATOM 1644 CB LYS A 602 4.159 12.998 7.952 1.00 0.59 C ATOM 1645 CG LYS A 602 5.546 12.391 7.809 1.00 0.69 C ATOM 1646 CD LYS A 602 6.298 12.994 6.633 1.00 0.93 C ATOM 1647 CE LYS A 602 7.669 12.362 6.461 1.00 1.49 C ATOM 1648 NZ LYS A 602 8.412 12.942 5.310 1.00 1.73 N ATOM 0 H LYS A 602 3.503 10.620 8.049 1.00 0.41 H new ATOM 0 HA LYS A 602 3.844 12.642 10.050 1.00 0.48 H new ATOM 0 HB2 LYS A 602 3.610 12.848 7.022 1.00 0.59 H new ATOM 0 HB3 LYS A 602 4.257 14.074 8.094 1.00 0.59 H new ATOM 0 HG2 LYS A 602 6.112 12.553 8.726 1.00 0.69 H new ATOM 0 HG3 LYS A 602 5.461 11.313 7.674 1.00 0.69 H new ATOM 0 HD2 LYS A 602 5.717 12.858 5.721 1.00 0.93 H new ATOM 0 HD3 LYS A 602 6.408 14.068 6.783 1.00 0.93 H new ATOM 0 HE2 LYS A 602 8.249 12.501 7.373 1.00 1.49 H new ATOM 0 HE3 LYS A 602 7.557 11.288 6.315 1.00 1.49 H new ATOM 0 HZ1 LYS A 602 9.341 12.482 5.229 1.00 1.73 H new ATOM 0 HZ2 LYS A 602 7.872 12.787 4.435 1.00 1.73 H new ATOM 0 HZ3 LYS A 602 8.543 13.963 5.460 1.00 1.73 H new ATOM 1662 N LYS A 603 0.958 12.268 8.737 1.00 0.44 N ATOM 1663 CA LYS A 603 -0.422 12.733 8.692 1.00 0.48 C ATOM 1664 C LYS A 603 -1.298 11.842 9.572 1.00 0.54 C ATOM 1665 O LYS A 603 -0.939 10.693 9.840 1.00 0.62 O ATOM 1666 CB LYS A 603 -0.930 12.730 7.244 1.00 0.58 C ATOM 1667 CG LYS A 603 -0.178 13.685 6.327 1.00 0.65 C ATOM 1668 CD LYS A 603 -0.303 15.126 6.799 1.00 0.79 C ATOM 1669 CE LYS A 603 0.501 16.074 5.926 1.00 0.90 C ATOM 1670 NZ LYS A 603 -0.020 16.145 4.536 1.00 1.69 N ATOM 0 H LYS A 603 1.081 11.298 8.447 1.00 0.44 H new ATOM 0 HA LYS A 603 -0.470 13.753 9.072 1.00 0.48 H new ATOM 0 HB2 LYS A 603 -0.852 11.719 6.843 1.00 0.58 H new ATOM 0 HB3 LYS A 603 -1.988 12.994 7.239 1.00 0.58 H new ATOM 0 HG2 LYS A 603 0.874 13.403 6.290 1.00 0.65 H new ATOM 0 HG3 LYS A 603 -0.567 13.598 5.312 1.00 0.65 H new ATOM 0 HD2 LYS A 603 -1.352 15.423 6.789 1.00 0.79 H new ATOM 0 HD3 LYS A 603 0.040 15.202 7.831 1.00 0.79 H new ATOM 0 HE2 LYS A 603 0.487 17.070 6.368 1.00 0.90 H new ATOM 0 HE3 LYS A 603 1.541 15.750 5.905 1.00 0.90 H new ATOM 0 HZ1 LYS A 603 0.496 16.878 4.009 1.00 1.69 H new ATOM 0 HZ2 LYS A 603 0.111 15.225 4.069 1.00 1.69 H new ATOM 0 HZ3 LYS A 603 -1.033 16.382 4.556 1.00 1.69 H new ATOM 1727 N ASN A 607 -8.711 4.756 12.416 1.00 0.65 N ATOM 1728 CA ASN A 607 -8.681 3.335 12.745 1.00 0.48 C ATOM 1729 C ASN A 607 -8.805 2.480 11.488 1.00 0.43 C ATOM 1730 O ASN A 607 -9.694 2.689 10.659 1.00 0.60 O ATOM 1731 CB ASN A 607 -9.806 3.005 13.727 1.00 0.59 C ATOM 1732 CG ASN A 607 -9.894 1.526 14.049 1.00 0.79 C ATOM 1733 OD1 ASN A 607 -10.590 0.776 13.372 1.00 1.28 O ATOM 1734 ND2 ASN A 607 -9.189 1.095 15.082 1.00 1.33 N ATOM 0 HA ASN A 607 -7.722 3.109 13.212 1.00 0.48 H new ATOM 0 HB2 ASN A 607 -9.651 3.564 14.650 1.00 0.59 H new ATOM 0 HB3 ASN A 607 -10.756 3.338 13.308 1.00 0.59 H new ATOM 0 HD21 ASN A 607 -9.213 0.108 15.339 1.00 1.33 H new ATOM 0 HD22 ASN A 607 -8.622 1.749 15.621 1.00 1.33 H new ATOM 1741 N VAL A 608 -7.906 1.519 11.360 1.00 0.30 N ATOM 1742 CA VAL A 608 -7.827 0.690 10.172 1.00 0.22 C ATOM 1743 C VAL A 608 -8.680 -0.578 10.319 1.00 0.21 C ATOM 1744 O VAL A 608 -9.119 -1.161 9.328 1.00 0.21 O ATOM 1745 CB VAL A 608 -6.351 0.339 9.860 1.00 0.19 C ATOM 1746 CG1 VAL A 608 -6.244 -0.681 8.744 1.00 0.19 C ATOM 1747 CG2 VAL A 608 -5.570 1.599 9.500 1.00 0.27 C ATOM 0 H VAL A 608 -7.214 1.293 12.074 1.00 0.30 H new ATOM 0 HA VAL A 608 -8.231 1.256 9.333 1.00 0.22 H new ATOM 0 HB VAL A 608 -5.920 -0.103 10.758 1.00 0.19 H new ATOM 0 HG11 VAL A 608 -5.194 -0.903 8.553 1.00 0.19 H new ATOM 0 HG12 VAL A 608 -6.760 -1.595 9.036 1.00 0.19 H new ATOM 0 HG13 VAL A 608 -6.701 -0.280 7.839 1.00 0.19 H new ATOM 0 HG21 VAL A 608 -4.535 1.336 9.283 1.00 0.27 H new ATOM 0 HG22 VAL A 608 -6.017 2.066 8.622 1.00 0.27 H new ATOM 0 HG23 VAL A 608 -5.600 2.297 10.337 1.00 0.27 H new ATOM 1757 N ALA A 609 -8.938 -0.986 11.556 1.00 0.28 N ATOM 1758 CA ALA A 609 -9.804 -2.138 11.820 1.00 0.33 C ATOM 1759 C ALA A 609 -11.213 -1.903 11.268 1.00 0.32 C ATOM 1760 O ALA A 609 -11.887 -2.831 10.805 1.00 0.32 O ATOM 1761 CB ALA A 609 -9.859 -2.434 13.312 1.00 0.44 C ATOM 0 H ALA A 609 -8.563 -0.540 12.393 1.00 0.28 H new ATOM 0 HA ALA A 609 -9.380 -3.003 11.310 1.00 0.33 H new ATOM 0 HB1 ALA A 609 -10.507 -3.293 13.489 1.00 0.44 H new ATOM 0 HB2 ALA A 609 -8.856 -2.655 13.676 1.00 0.44 H new ATOM 0 HB3 ALA A 609 -10.254 -1.566 13.841 1.00 0.44 H new ATOM 1767 N ALA A 610 -11.644 -0.648 11.299 1.00 0.33 N ATOM 1768 CA ALA A 610 -12.931 -0.262 10.738 1.00 0.35 C ATOM 1769 C ALA A 610 -12.950 -0.511 9.236 1.00 0.30 C ATOM 1770 O ALA A 610 -13.998 -0.774 8.646 1.00 0.31 O ATOM 1771 CB ALA A 610 -13.223 1.200 11.037 1.00 0.40 C ATOM 0 H ALA A 610 -11.117 0.123 11.709 1.00 0.33 H new ATOM 0 HA ALA A 610 -13.708 -0.871 11.200 1.00 0.35 H new ATOM 0 HB1 ALA A 610 -14.188 1.473 10.611 1.00 0.40 H new ATOM 0 HB2 ALA A 610 -13.246 1.353 12.116 1.00 0.40 H new ATOM 0 HB3 ALA A 610 -12.444 1.824 10.599 1.00 0.40 H new ATOM 1777 N ILE A 611 -11.775 -0.437 8.624 1.00 0.25 N ATOM 1778 CA ILE A 611 -11.634 -0.687 7.201 1.00 0.23 C ATOM 1779 C ILE A 611 -11.813 -2.181 6.919 1.00 0.22 C ATOM 1780 O ILE A 611 -12.275 -2.573 5.848 1.00 0.23 O ATOM 1781 CB ILE A 611 -10.267 -0.184 6.676 1.00 0.20 C ATOM 1782 CG1 ILE A 611 -10.142 1.324 6.920 1.00 0.24 C ATOM 1783 CG2 ILE A 611 -10.110 -0.490 5.191 1.00 0.22 C ATOM 1784 CD1 ILE A 611 -8.799 1.901 6.528 1.00 0.23 C ATOM 0 H ILE A 611 -10.902 -0.204 9.097 1.00 0.25 H new ATOM 0 HA ILE A 611 -12.409 -0.132 6.672 1.00 0.23 H new ATOM 0 HB ILE A 611 -9.475 -0.704 7.216 1.00 0.20 H new ATOM 0 HG12 ILE A 611 -10.924 1.838 6.361 1.00 0.24 H new ATOM 0 HG13 ILE A 611 -10.319 1.527 7.976 1.00 0.24 H new ATOM 0 HG21 ILE A 611 -9.142 -0.127 4.845 1.00 0.22 H new ATOM 0 HG22 ILE A 611 -10.172 -1.567 5.033 1.00 0.22 H new ATOM 0 HG23 ILE A 611 -10.904 0.005 4.632 1.00 0.22 H new ATOM 0 HD11 ILE A 611 -8.790 2.972 6.731 1.00 0.23 H new ATOM 0 HD12 ILE A 611 -8.012 1.415 7.105 1.00 0.23 H new ATOM 0 HD13 ILE A 611 -8.627 1.732 5.465 1.00 0.23 H new ATOM 1796 N ILE A 612 -11.459 -3.020 7.896 1.00 0.22 N ATOM 1797 CA ILE A 612 -11.740 -4.453 7.808 1.00 0.24 C ATOM 1798 C ILE A 612 -13.242 -4.672 7.701 1.00 0.27 C ATOM 1799 O ILE A 612 -13.715 -5.471 6.889 1.00 0.28 O ATOM 1800 CB ILE A 612 -11.228 -5.232 9.043 1.00 0.26 C ATOM 1801 CG1 ILE A 612 -9.734 -4.999 9.262 1.00 0.26 C ATOM 1802 CG2 ILE A 612 -11.509 -6.719 8.878 1.00 0.31 C ATOM 1803 CD1 ILE A 612 -9.193 -5.644 10.520 1.00 0.31 C ATOM 0 H ILE A 612 -10.981 -2.734 8.750 1.00 0.22 H new ATOM 0 HA ILE A 612 -11.220 -4.825 6.925 1.00 0.24 H new ATOM 0 HB ILE A 612 -11.759 -4.863 9.920 1.00 0.26 H new ATOM 0 HG12 ILE A 612 -9.186 -5.385 8.402 1.00 0.26 H new ATOM 0 HG13 ILE A 612 -9.546 -3.926 9.305 1.00 0.26 H new ATOM 0 HG21 ILE A 612 -11.144 -7.257 9.753 1.00 0.31 H new ATOM 0 HG22 ILE A 612 -12.583 -6.877 8.776 1.00 0.31 H new ATOM 0 HG23 ILE A 612 -11.001 -7.089 7.987 1.00 0.31 H new ATOM 0 HD11 ILE A 612 -8.127 -5.435 10.607 1.00 0.31 H new ATOM 0 HD12 ILE A 612 -9.714 -5.241 11.389 1.00 0.31 H new ATOM 0 HD13 ILE A 612 -9.348 -6.722 10.472 1.00 0.31 H new ATOM 1815 N GLN A 613 -13.986 -3.935 8.518 1.00 0.31 N ATOM 1816 CA GLN A 613 -15.444 -3.995 8.484 1.00 0.35 C ATOM 1817 C GLN A 613 -15.953 -3.483 7.138 1.00 0.34 C ATOM 1818 O GLN A 613 -16.959 -3.956 6.613 1.00 0.37 O ATOM 1819 CB GLN A 613 -16.038 -3.161 9.620 1.00 0.41 C ATOM 1820 CG GLN A 613 -15.524 -3.547 11.001 1.00 0.49 C ATOM 1821 CD GLN A 613 -15.790 -5.000 11.347 1.00 1.37 C ATOM 1822 OE1 GLN A 613 -16.837 -5.339 11.900 1.00 1.97 O ATOM 1823 NE2 GLN A 613 -14.839 -5.867 11.034 1.00 2.31 N ATOM 0 H GLN A 613 -13.606 -3.290 9.211 1.00 0.31 H new ATOM 0 HA GLN A 613 -15.756 -5.031 8.613 1.00 0.35 H new ATOM 0 HB2 GLN A 613 -15.815 -2.109 9.441 1.00 0.41 H new ATOM 0 HB3 GLN A 613 -17.123 -3.264 9.605 1.00 0.41 H new ATOM 0 HG2 GLN A 613 -14.452 -3.358 11.050 1.00 0.49 H new ATOM 0 HG3 GLN A 613 -15.994 -2.909 11.749 1.00 0.49 H new ATOM 0 HE21 GLN A 613 -13.986 -5.545 10.576 1.00 2.31 H new ATOM 0 HE22 GLN A 613 -14.959 -6.856 11.251 1.00 2.31 H new ATOM 1832 N ASP A 614 -15.213 -2.532 6.582 1.00 0.33 N ATOM 1833 CA ASP A 614 -15.540 -1.943 5.285 1.00 0.33 C ATOM 1834 C ASP A 614 -15.401 -2.985 4.175 1.00 0.30 C ATOM 1835 O ASP A 614 -16.262 -3.096 3.300 1.00 0.34 O ATOM 1836 CB ASP A 614 -14.637 -0.736 5.006 1.00 0.36 C ATOM 1837 CG ASP A 614 -14.899 -0.099 3.655 1.00 0.95 C ATOM 1838 OD1 ASP A 614 -14.152 -0.393 2.702 1.00 1.95 O ATOM 1839 OD2 ASP A 614 -15.846 0.707 3.547 1.00 1.09 O ATOM 0 H ASP A 614 -14.373 -2.147 7.013 1.00 0.33 H new ATOM 0 HA ASP A 614 -16.575 -1.603 5.309 1.00 0.33 H new ATOM 0 HB2 ASP A 614 -14.784 0.009 5.788 1.00 0.36 H new ATOM 0 HB3 ASP A 614 -13.594 -1.050 5.057 1.00 0.36 H new ATOM 1844 N ILE A 615 -14.320 -3.759 4.234 1.00 0.26 N ATOM 1845 CA ILE A 615 -14.078 -4.834 3.279 1.00 0.27 C ATOM 1846 C ILE A 615 -15.166 -5.893 3.373 1.00 0.32 C ATOM 1847 O ILE A 615 -15.716 -6.334 2.365 1.00 0.35 O ATOM 1848 CB ILE A 615 -12.723 -5.506 3.555 1.00 0.24 C ATOM 1849 CG1 ILE A 615 -11.599 -4.489 3.435 1.00 0.20 C ATOM 1850 CG2 ILE A 615 -12.492 -6.664 2.596 1.00 0.29 C ATOM 1851 CD1 ILE A 615 -10.274 -5.006 3.924 1.00 0.18 C ATOM 0 H ILE A 615 -13.592 -3.659 4.941 1.00 0.26 H new ATOM 0 HA ILE A 615 -14.078 -4.393 2.282 1.00 0.27 H new ATOM 0 HB ILE A 615 -12.734 -5.900 4.571 1.00 0.24 H new ATOM 0 HG12 ILE A 615 -11.501 -4.188 2.392 1.00 0.20 H new ATOM 0 HG13 ILE A 615 -11.864 -3.596 4.001 1.00 0.20 H new ATOM 0 HG21 ILE A 615 -11.528 -7.126 2.808 1.00 0.29 H new ATOM 0 HG22 ILE A 615 -13.283 -7.403 2.721 1.00 0.29 H new ATOM 0 HG23 ILE A 615 -12.499 -6.294 1.571 1.00 0.29 H new ATOM 0 HD11 ILE A 615 -9.516 -4.231 3.810 1.00 0.18 H new ATOM 0 HD12 ILE A 615 -10.356 -5.281 4.975 1.00 0.18 H new ATOM 0 HD13 ILE A 615 -9.988 -5.882 3.341 1.00 0.18 H new ATOM 1863 N HIS A 616 -15.460 -6.301 4.601 1.00 0.37 N ATOM 1864 CA HIS A 616 -16.465 -7.327 4.854 1.00 0.46 C ATOM 1865 C HIS A 616 -17.856 -6.853 4.438 1.00 0.44 C ATOM 1866 O HIS A 616 -18.669 -7.644 3.959 1.00 0.46 O ATOM 1867 CB HIS A 616 -16.468 -7.730 6.334 1.00 0.59 C ATOM 1868 CG HIS A 616 -15.218 -8.434 6.777 1.00 0.70 C ATOM 1869 ND1 HIS A 616 -14.963 -8.761 8.091 1.00 1.26 N ATOM 1870 CD2 HIS A 616 -14.152 -8.879 6.070 1.00 0.76 C ATOM 1871 CE1 HIS A 616 -13.797 -9.376 8.171 1.00 1.24 C ATOM 1872 NE2 HIS A 616 -13.285 -9.459 6.958 1.00 0.82 N ATOM 0 H HIS A 616 -15.014 -5.935 5.442 1.00 0.37 H new ATOM 0 HA HIS A 616 -16.206 -8.198 4.252 1.00 0.46 H new ATOM 0 HB2 HIS A 616 -16.605 -6.837 6.943 1.00 0.59 H new ATOM 0 HB3 HIS A 616 -17.324 -8.378 6.522 1.00 0.59 H new ATOM 0 HD2 HIS A 616 -14.011 -8.793 5.003 1.00 0.76 H new ATOM 0 HE1 HIS A 616 -13.340 -9.748 9.076 1.00 1.24 H new ATOM 0 HE2 HIS A 616 -12.390 -9.886 6.720 1.00 0.82 H new ATOM 1881 N SER A 617 -18.128 -5.569 4.623 1.00 0.45 N ATOM 1882 CA SER A 617 -19.414 -5.007 4.253 1.00 0.51 C ATOM 1883 C SER A 617 -19.532 -4.850 2.737 1.00 0.49 C ATOM 1884 O SER A 617 -20.608 -5.035 2.167 1.00 0.57 O ATOM 1885 CB SER A 617 -19.633 -3.660 4.949 1.00 0.58 C ATOM 1886 OG SER A 617 -20.918 -3.134 4.658 1.00 1.18 O ATOM 0 H SER A 617 -17.474 -4.899 5.027 1.00 0.45 H new ATOM 0 HA SER A 617 -20.189 -5.699 4.582 1.00 0.51 H new ATOM 0 HB2 SER A 617 -19.523 -3.783 6.026 1.00 0.58 H new ATOM 0 HB3 SER A 617 -18.867 -2.954 4.629 1.00 0.58 H new ATOM 0 HG SER A 617 -21.031 -2.275 5.116 1.00 1.18 H new