USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 775 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 553 MET CE :methyl -145:sc= -2.18 (180deg=-2.71!) USER MOD Set 1.2: A 556 THR OG1 : rot -132:sc= -0.154 USER MOD Set 2.1: A 535 ASN : amide:sc= -0.577 K(o=-4,f=-6.5!) USER MOD Set 2.2: A 539 ASN : amide:sc= -3.43 X(o=-4,f=-4!) USER MOD Set 3.1: A 523 HIS : no HE2:sc= -1.2 X(o=-1.7,f=-1.7) USER MOD Set 3.2: A 558 GLN : amide:sc= -0.539 K(o=-1.7,f=-3.3!) USER MOD Single : A 525 CYS SG : rot -12:sc= -0.421! USER MOD Single : A 526 ASN : amide:sc=-0.00808 K(o=-0.0081,f=-1.1) USER MOD Single : A 531 SER OG : rot 180:sc= -0.0124 USER MOD Single : A 532 CYS SG : rot 36:sc= -0.357 USER MOD Single : A 533 THR OG1 : rot 174:sc= 0.15 USER MOD Single : A 546 LYS NZ :NH3+ -166:sc= -0.034 (180deg=-0.212) USER MOD Single : A 548 THR OG1 : rot 103:sc= 1.29 USER MOD Single : A 549 ASN : amide:sc= -2.28! C(o=-2.3!,f=-4!) USER MOD Single : A 550 TYR OH : rot 180:sc= 0 USER MOD Single : A 554 LYS NZ :NH3+ 160:sc= -0.0838 (180deg=-0.573) USER MOD Single : A 555 SER OG : rot 180:sc= 0 USER MOD Single : A 557 ASN : amide:sc= -3.38! K(o=-3.4!,f=-1.9) USER MOD Single : A 563 MET CE :methyl -177:sc= -5.65! (180deg=-6.04!) 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= -2.59! K(o=-2.6!,f=-0.88) USER MOD Single : A 572 MET CE :methyl 160:sc= -2.61 (180deg=-3.62) USER MOD Single : A 574 GLN : amide:sc= -1.4 K(o=-1.4,f=-6!) USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 TYR OH : rot -154:sc= -0.0228 USER MOD Single : A 577 GLN : amide:sc= -1.84! C(o=-1.8!,f=-6.4!) USER MOD Single : A 579 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 584 ASN : amide:sc= -1.64 K(o=-1.6,f=-0.11) USER MOD Single : A 587 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 592 MET CE :methyl -152:sc= 0 (180deg=-0.265) USER MOD Single : A 593 SER OG : rot 180:sc= 0.011 USER MOD Single : A 594 THR OG1 : rot 180:sc= 0.0252 USER MOD Single : A 596 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 600 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 602 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 603 LYS NZ :NH3+ 170:sc=-0.00802 (180deg=-0.121) USER MOD Single : A 607 ASN : amide:sc= -0.14 K(o=-0.14,f=-7.4!) USER MOD Single : A 613 GLN : amide:sc= -0.627 K(o=-0.63,f=0) USER MOD Single : A 616 HIS : no HD1:sc= -0.638 K(o=-0.64,f=0.18) USER MOD Single : A 617 SER OG : rot 78:sc= 0.912 USER MOD ----------------------------------------------------------------- ATOM 321 N ARG A 520 9.310 -2.540 7.597 1.00 0.46 N ATOM 322 CA ARG A 520 8.914 -2.912 6.252 1.00 0.40 C ATOM 323 C ARG A 520 8.258 -1.750 5.538 1.00 0.34 C ATOM 324 O ARG A 520 7.404 -1.059 6.092 1.00 0.36 O ATOM 325 CB ARG A 520 7.936 -4.086 6.287 1.00 0.44 C ATOM 326 CG ARG A 520 8.533 -5.373 6.825 1.00 0.56 C ATOM 327 CD ARG A 520 7.446 -6.368 7.188 1.00 0.64 C ATOM 328 NE ARG A 520 6.510 -5.808 8.160 1.00 0.93 N ATOM 329 CZ ARG A 520 6.770 -5.696 9.462 1.00 1.70 C ATOM 330 NH1 ARG A 520 7.910 -6.160 9.961 1.00 2.13 N ATOM 331 NH2 ARG A 520 5.883 -5.129 10.266 1.00 2.22 N ATOM 0 HA ARG A 520 9.816 -3.201 5.713 1.00 0.40 H new ATOM 0 HB2 ARG A 520 7.078 -3.812 6.900 1.00 0.44 H new ATOM 0 HB3 ARG A 520 7.563 -4.265 5.278 1.00 0.44 H new ATOM 0 HG2 ARG A 520 9.196 -5.810 6.079 1.00 0.56 H new ATOM 0 HG3 ARG A 520 9.141 -5.157 7.704 1.00 0.56 H new ATOM 0 HD2 ARG A 520 6.905 -6.662 6.288 1.00 0.64 H new ATOM 0 HD3 ARG A 520 7.900 -7.271 7.597 1.00 0.64 H new ATOM 0 HE ARG A 520 5.604 -5.484 7.822 1.00 0.93 H new ATOM 0 HH11 ARG A 520 8.592 -6.605 9.347 1.00 2.13 H new ATOM 0 HH12 ARG A 520 8.104 -6.071 10.959 1.00 2.13 H new ATOM 0 HH21 ARG A 520 5.003 -4.779 9.888 1.00 2.22 H new ATOM 0 HH22 ARG A 520 6.080 -5.042 11.263 1.00 2.22 H new ATOM 345 N VAL A 521 8.664 -1.552 4.302 1.00 0.29 N ATOM 346 CA VAL A 521 7.999 -0.620 3.419 1.00 0.24 C ATOM 347 C VAL A 521 7.381 -1.355 2.245 1.00 0.21 C ATOM 348 O VAL A 521 8.073 -2.076 1.513 1.00 0.23 O ATOM 349 CB VAL A 521 8.942 0.482 2.906 1.00 0.26 C ATOM 350 CG1 VAL A 521 8.234 1.366 1.901 1.00 0.27 C ATOM 351 CG2 VAL A 521 9.462 1.310 4.061 1.00 0.32 C ATOM 0 H VAL A 521 9.461 -2.031 3.883 1.00 0.29 H new ATOM 0 HA VAL A 521 7.217 -0.135 4.003 1.00 0.24 H new ATOM 0 HB VAL A 521 9.788 0.006 2.409 1.00 0.26 H new ATOM 0 HG11 VAL A 521 8.918 2.139 1.551 1.00 0.27 H new ATOM 0 HG12 VAL A 521 7.904 0.763 1.055 1.00 0.27 H new ATOM 0 HG13 VAL A 521 7.370 1.833 2.373 1.00 0.27 H new ATOM 0 HG21 VAL A 521 10.128 2.085 3.682 1.00 0.32 H new ATOM 0 HG22 VAL A 521 8.625 1.774 4.582 1.00 0.32 H new ATOM 0 HG23 VAL A 521 10.009 0.668 4.752 1.00 0.32 H new ATOM 361 N VAL A 522 6.082 -1.192 2.083 1.00 0.20 N ATOM 362 CA VAL A 522 5.385 -1.731 0.935 1.00 0.18 C ATOM 363 C VAL A 522 4.738 -0.568 0.200 1.00 0.18 C ATOM 364 O VAL A 522 3.952 0.177 0.784 1.00 0.19 O ATOM 365 CB VAL A 522 4.316 -2.763 1.354 1.00 0.20 C ATOM 366 CG1 VAL A 522 3.719 -3.454 0.140 1.00 0.21 C ATOM 367 CG2 VAL A 522 4.899 -3.780 2.323 1.00 0.22 C ATOM 0 H VAL A 522 5.486 -0.686 2.738 1.00 0.20 H new ATOM 0 HA VAL A 522 6.092 -2.252 0.289 1.00 0.18 H new ATOM 0 HB VAL A 522 3.514 -2.228 1.863 1.00 0.20 H new ATOM 0 HG11 VAL A 522 2.969 -4.176 0.464 1.00 0.21 H new ATOM 0 HG12 VAL A 522 3.252 -2.712 -0.508 1.00 0.21 H new ATOM 0 HG13 VAL A 522 4.507 -3.971 -0.408 1.00 0.21 H new ATOM 0 HG21 VAL A 522 4.128 -4.497 2.605 1.00 0.22 H new ATOM 0 HG22 VAL A 522 5.726 -4.305 1.845 1.00 0.22 H new ATOM 0 HG23 VAL A 522 5.261 -3.267 3.214 1.00 0.22 H new ATOM 377 N HIS A 523 5.086 -0.383 -1.059 1.00 0.18 N ATOM 378 CA HIS A 523 4.637 0.769 -1.818 1.00 0.18 C ATOM 379 C HIS A 523 3.571 0.352 -2.821 1.00 0.17 C ATOM 380 O HIS A 523 3.754 -0.595 -3.585 1.00 0.18 O ATOM 381 CB HIS A 523 5.846 1.378 -2.540 1.00 0.20 C ATOM 382 CG HIS A 523 5.530 2.485 -3.502 1.00 0.25 C ATOM 383 ND1 HIS A 523 5.473 2.294 -4.865 1.00 0.39 N ATOM 384 CD2 HIS A 523 5.310 3.805 -3.301 1.00 0.30 C ATOM 385 CE1 HIS A 523 5.239 3.447 -5.458 1.00 0.44 C ATOM 386 NE2 HIS A 523 5.136 4.385 -4.535 1.00 0.37 N ATOM 0 H HIS A 523 5.684 -1.022 -1.582 1.00 0.18 H new ATOM 0 HA HIS A 523 4.199 1.509 -1.149 1.00 0.18 H new ATOM 0 HB2 HIS A 523 6.542 1.757 -1.791 1.00 0.20 H new ATOM 0 HB3 HIS A 523 6.362 0.585 -3.082 1.00 0.20 H new ATOM 0 HD1 HIS A 523 5.593 1.400 -5.341 1.00 0.39 H new ATOM 0 HD2 HIS A 523 5.277 4.310 -2.347 1.00 0.30 H new ATOM 0 HE1 HIS A 523 5.147 3.599 -6.523 1.00 0.44 H new ATOM 395 N ILE A 524 2.473 1.072 -2.822 1.00 0.16 N ATOM 396 CA ILE A 524 1.390 0.808 -3.741 1.00 0.16 C ATOM 397 C ILE A 524 1.306 1.950 -4.735 1.00 0.17 C ATOM 398 O ILE A 524 1.428 3.116 -4.368 1.00 0.19 O ATOM 399 CB ILE A 524 0.050 0.638 -2.995 1.00 0.17 C ATOM 400 CG1 ILE A 524 0.196 -0.454 -1.932 1.00 0.16 C ATOM 401 CG2 ILE A 524 -1.076 0.302 -3.968 1.00 0.18 C ATOM 402 CD1 ILE A 524 -1.087 -0.793 -1.209 1.00 0.18 C ATOM 0 H ILE A 524 2.306 1.854 -2.189 1.00 0.16 H new ATOM 0 HA ILE A 524 1.587 -0.127 -4.266 1.00 0.16 H new ATOM 0 HB ILE A 524 -0.208 1.578 -2.508 1.00 0.17 H new ATOM 0 HG12 ILE A 524 0.582 -1.357 -2.406 1.00 0.16 H new ATOM 0 HG13 ILE A 524 0.939 -0.136 -1.200 1.00 0.16 H new ATOM 0 HG21 ILE A 524 -2.010 0.187 -3.418 1.00 0.18 H new ATOM 0 HG22 ILE A 524 -1.180 1.107 -4.696 1.00 0.18 H new ATOM 0 HG23 ILE A 524 -0.843 -0.628 -4.486 1.00 0.18 H new ATOM 0 HD11 ILE A 524 -0.895 -1.575 -0.474 1.00 0.18 H new ATOM 0 HD12 ILE A 524 -1.465 0.095 -0.703 1.00 0.18 H new ATOM 0 HD13 ILE A 524 -1.828 -1.145 -1.927 1.00 0.18 H new ATOM 414 N CYS A 525 1.136 1.623 -5.993 1.00 0.17 N ATOM 415 CA CYS A 525 1.178 2.629 -7.028 1.00 0.18 C ATOM 416 C CYS A 525 0.104 2.393 -8.068 1.00 0.15 C ATOM 417 O CYS A 525 -0.523 1.330 -8.087 1.00 0.16 O ATOM 418 CB CYS A 525 2.562 2.657 -7.674 1.00 0.29 C ATOM 419 SG CYS A 525 3.278 1.024 -7.972 1.00 1.17 S ATOM 0 H CYS A 525 0.968 0.673 -6.325 1.00 0.17 H new ATOM 0 HA CYS A 525 0.983 3.599 -6.571 1.00 0.18 H new ATOM 0 HB2 CYS A 525 2.497 3.191 -8.622 1.00 0.29 H new ATOM 0 HB3 CYS A 525 3.237 3.225 -7.034 1.00 0.29 H new ATOM 0 HG CYS A 525 2.582 0.124 -7.343 1.00 1.17 H new ATOM 425 N ASN A 526 -0.105 3.417 -8.892 1.00 0.15 N ATOM 426 CA ASN A 526 -1.067 3.397 -10.001 1.00 0.16 C ATOM 427 C ASN A 526 -2.438 3.821 -9.515 1.00 0.15 C ATOM 428 O ASN A 526 -3.462 3.445 -10.081 1.00 0.18 O ATOM 429 CB ASN A 526 -1.142 2.034 -10.707 1.00 0.19 C ATOM 430 CG ASN A 526 0.130 1.680 -11.457 1.00 0.21 C ATOM 431 OD1 ASN A 526 0.873 2.556 -11.894 1.00 0.22 O ATOM 432 ND2 ASN A 526 0.375 0.391 -11.633 1.00 0.26 N ATOM 0 H ASN A 526 0.396 4.302 -8.810 1.00 0.15 H new ATOM 0 HA ASN A 526 -0.708 4.111 -10.743 1.00 0.16 H new ATOM 0 HB2 ASN A 526 -1.348 1.260 -9.968 1.00 0.19 H new ATOM 0 HB3 ASN A 526 -1.979 2.039 -11.405 1.00 0.19 H new ATOM 0 HD21 ASN A 526 1.205 0.095 -12.147 1.00 0.26 H new ATOM 0 HD22 ASN A 526 -0.266 -0.306 -11.255 1.00 0.26 H new ATOM 439 N LEU A 527 -2.439 4.644 -8.477 1.00 0.15 N ATOM 440 CA LEU A 527 -3.665 5.191 -7.933 1.00 0.17 C ATOM 441 C LEU A 527 -4.008 6.468 -8.682 1.00 0.22 C ATOM 442 O LEU A 527 -3.171 7.363 -8.792 1.00 0.25 O ATOM 443 CB LEU A 527 -3.501 5.478 -6.436 1.00 0.15 C ATOM 444 CG LEU A 527 -3.414 4.244 -5.534 1.00 0.16 C ATOM 445 CD1 LEU A 527 -2.996 4.635 -4.125 1.00 0.18 C ATOM 446 CD2 LEU A 527 -4.753 3.531 -5.496 1.00 0.21 C ATOM 0 H LEU A 527 -1.594 4.948 -7.993 1.00 0.15 H new ATOM 0 HA LEU A 527 -4.473 4.469 -8.053 1.00 0.17 H new ATOM 0 HB2 LEU A 527 -2.599 6.074 -6.295 1.00 0.15 H new ATOM 0 HB3 LEU A 527 -4.342 6.089 -6.107 1.00 0.15 H new ATOM 0 HG LEU A 527 -2.661 3.572 -5.945 1.00 0.16 H new ATOM 0 HD11 LEU A 527 -2.941 3.743 -3.501 1.00 0.18 H new ATOM 0 HD12 LEU A 527 -2.019 5.117 -4.156 1.00 0.18 H new ATOM 0 HD13 LEU A 527 -3.728 5.325 -3.707 1.00 0.18 H new ATOM 0 HD21 LEU A 527 -4.680 2.655 -4.852 1.00 0.21 H new ATOM 0 HD22 LEU A 527 -5.514 4.207 -5.105 1.00 0.21 H new ATOM 0 HD23 LEU A 527 -5.028 3.219 -6.504 1.00 0.21 H new ATOM 458 N PRO A 528 -5.220 6.569 -9.241 1.00 0.26 N ATOM 459 CA PRO A 528 -5.620 7.751 -9.998 1.00 0.33 C ATOM 460 C PRO A 528 -5.821 8.955 -9.090 1.00 0.34 C ATOM 461 O PRO A 528 -6.452 8.852 -8.036 1.00 0.32 O ATOM 462 CB PRO A 528 -6.953 7.352 -10.649 1.00 0.38 C ATOM 463 CG PRO A 528 -7.128 5.891 -10.383 1.00 0.37 C ATOM 464 CD PRO A 528 -6.278 5.557 -9.191 1.00 0.29 C ATOM 0 HA PRO A 528 -4.860 8.042 -10.723 1.00 0.33 H new ATOM 0 HB2 PRO A 528 -7.779 7.926 -10.228 1.00 0.38 H new ATOM 0 HB3 PRO A 528 -6.938 7.553 -11.720 1.00 0.38 H new ATOM 0 HG2 PRO A 528 -8.175 5.657 -10.188 1.00 0.37 H new ATOM 0 HG3 PRO A 528 -6.826 5.302 -11.249 1.00 0.37 H new ATOM 0 HD2 PRO A 528 -6.846 5.614 -8.263 1.00 0.29 H new ATOM 0 HD3 PRO A 528 -5.873 4.547 -9.255 1.00 0.29 H new ATOM 472 N GLU A 529 -5.287 10.094 -9.504 1.00 0.41 N ATOM 473 CA GLU A 529 -5.424 11.328 -8.749 1.00 0.46 C ATOM 474 C GLU A 529 -6.883 11.761 -8.733 1.00 0.47 C ATOM 475 O GLU A 529 -7.550 11.750 -9.771 1.00 0.53 O ATOM 476 CB GLU A 529 -4.543 12.409 -9.366 1.00 0.57 C ATOM 477 CG GLU A 529 -4.387 13.649 -8.501 1.00 0.66 C ATOM 478 CD GLU A 529 -3.364 14.618 -9.058 1.00 1.12 C ATOM 479 OE1 GLU A 529 -3.526 15.841 -8.864 1.00 1.60 O ATOM 480 OE2 GLU A 529 -2.397 14.164 -9.703 1.00 1.41 O ATOM 0 H GLU A 529 -4.750 10.188 -10.366 1.00 0.41 H new ATOM 0 HA GLU A 529 -5.101 11.166 -7.721 1.00 0.46 H new ATOM 0 HB2 GLU A 529 -3.556 11.990 -9.563 1.00 0.57 H new ATOM 0 HB3 GLU A 529 -4.964 12.701 -10.328 1.00 0.57 H new ATOM 0 HG2 GLU A 529 -5.350 14.152 -8.415 1.00 0.66 H new ATOM 0 HG3 GLU A 529 -4.091 13.352 -7.495 1.00 0.66 H new ATOM 487 N GLY A 530 -7.381 12.135 -7.565 1.00 0.46 N ATOM 488 CA GLY A 530 -8.792 12.424 -7.432 1.00 0.48 C ATOM 489 C GLY A 530 -9.577 11.172 -7.111 1.00 0.43 C ATOM 490 O GLY A 530 -10.806 11.192 -7.031 1.00 0.46 O ATOM 0 H GLY A 530 -6.835 12.243 -6.710 1.00 0.46 H new ATOM 0 HA2 GLY A 530 -8.942 13.163 -6.645 1.00 0.48 H new ATOM 0 HA3 GLY A 530 -9.165 12.864 -8.357 1.00 0.48 H new ATOM 494 N SER A 531 -8.858 10.070 -6.936 1.00 0.37 N ATOM 495 CA SER A 531 -9.471 8.778 -6.682 1.00 0.35 C ATOM 496 C SER A 531 -8.565 7.912 -5.809 1.00 0.28 C ATOM 497 O SER A 531 -8.728 6.692 -5.739 1.00 0.30 O ATOM 498 CB SER A 531 -9.757 8.076 -8.006 1.00 0.40 C ATOM 499 OG SER A 531 -10.648 8.843 -8.799 1.00 1.08 O ATOM 0 H SER A 531 -7.839 10.049 -6.966 1.00 0.37 H new ATOM 0 HA SER A 531 -10.409 8.934 -6.148 1.00 0.35 H new ATOM 0 HB2 SER A 531 -8.825 7.918 -8.548 1.00 0.40 H new ATOM 0 HB3 SER A 531 -10.186 7.092 -7.816 1.00 0.40 H new ATOM 0 HG SER A 531 -10.818 8.377 -9.644 1.00 1.08 H new ATOM 505 N CYS A 532 -7.613 8.551 -5.143 1.00 0.24 N ATOM 506 CA CYS A 532 -6.725 7.854 -4.228 1.00 0.20 C ATOM 507 C CYS A 532 -7.317 7.906 -2.833 1.00 0.18 C ATOM 508 O CYS A 532 -7.134 8.891 -2.114 1.00 0.21 O ATOM 509 CB CYS A 532 -5.333 8.494 -4.209 1.00 0.21 C ATOM 510 SG CYS A 532 -4.549 8.653 -5.827 1.00 0.25 S ATOM 0 H CYS A 532 -7.437 9.553 -5.221 1.00 0.24 H new ATOM 0 HA CYS A 532 -6.622 6.822 -4.563 1.00 0.20 H new ATOM 0 HB2 CYS A 532 -5.410 9.484 -3.760 1.00 0.21 H new ATOM 0 HB3 CYS A 532 -4.685 7.901 -3.564 1.00 0.21 H new ATOM 0 HG CYS A 532 -5.452 8.923 -6.722 1.00 0.25 H new ATOM 516 N THR A 533 -8.042 6.869 -2.450 1.00 0.17 N ATOM 517 CA THR A 533 -8.682 6.863 -1.152 1.00 0.18 C ATOM 518 C THR A 533 -7.959 5.910 -0.218 1.00 0.17 C ATOM 519 O THR A 533 -7.392 4.911 -0.654 1.00 0.18 O ATOM 520 CB THR A 533 -10.155 6.438 -1.282 1.00 0.26 C ATOM 521 OG1 THR A 533 -10.224 5.110 -1.817 1.00 0.35 O ATOM 522 CG2 THR A 533 -10.918 7.398 -2.187 1.00 0.28 C ATOM 0 H THR A 533 -8.199 6.033 -3.012 1.00 0.17 H new ATOM 0 HA THR A 533 -8.639 7.872 -0.742 1.00 0.18 H new ATOM 0 HB THR A 533 -10.613 6.461 -0.293 1.00 0.26 H new ATOM 0 HG1 THR A 533 -11.154 4.800 -1.805 1.00 0.35 H new ATOM 0 HG21 THR A 533 -11.957 7.077 -2.264 1.00 0.28 H new ATOM 0 HG22 THR A 533 -10.879 8.403 -1.767 1.00 0.28 H new ATOM 0 HG23 THR A 533 -10.465 7.401 -3.178 1.00 0.28 H new ATOM 530 N GLU A 534 -7.996 6.219 1.068 1.00 0.19 N ATOM 531 CA GLU A 534 -7.327 5.408 2.074 1.00 0.20 C ATOM 532 C GLU A 534 -8.002 4.059 2.186 1.00 0.19 C ATOM 533 O GLU A 534 -7.353 3.033 2.388 1.00 0.20 O ATOM 534 CB GLU A 534 -7.316 6.126 3.423 1.00 0.23 C ATOM 535 CG GLU A 534 -6.812 7.567 3.337 1.00 0.27 C ATOM 536 CD GLU A 534 -6.840 8.286 4.673 1.00 0.93 C ATOM 537 OE1 GLU A 534 -7.934 8.409 5.265 1.00 1.17 O ATOM 538 OE2 GLU A 534 -5.772 8.755 5.126 1.00 1.64 O ATOM 0 H GLU A 534 -8.486 7.032 1.442 1.00 0.19 H new ATOM 0 HA GLU A 534 -6.292 5.252 1.768 1.00 0.20 H new ATOM 0 HB2 GLU A 534 -8.325 6.125 3.835 1.00 0.23 H new ATOM 0 HB3 GLU A 534 -6.687 5.569 4.118 1.00 0.23 H new ATOM 0 HG2 GLU A 534 -5.792 7.567 2.952 1.00 0.27 H new ATOM 0 HG3 GLU A 534 -7.423 8.118 2.622 1.00 0.27 H new ATOM 545 N ASN A 535 -9.316 4.080 2.030 1.00 0.20 N ATOM 546 CA ASN A 535 -10.129 2.898 2.239 1.00 0.22 C ATOM 547 C ASN A 535 -9.774 1.803 1.246 1.00 0.21 C ATOM 548 O ASN A 535 -9.506 0.690 1.652 1.00 0.21 O ATOM 549 CB ASN A 535 -11.614 3.242 2.113 1.00 0.27 C ATOM 550 CG ASN A 535 -12.516 2.064 2.427 1.00 0.96 C ATOM 551 OD1 ASN A 535 -12.233 1.268 3.323 1.00 1.82 O ATOM 552 ND2 ASN A 535 -13.603 1.936 1.686 1.00 1.38 N ATOM 0 H ASN A 535 -9.843 4.910 1.757 1.00 0.20 H new ATOM 0 HA ASN A 535 -9.927 2.532 3.246 1.00 0.22 H new ATOM 0 HB2 ASN A 535 -11.851 4.065 2.787 1.00 0.27 H new ATOM 0 HB3 ASN A 535 -11.817 3.590 1.100 1.00 0.27 H new ATOM 0 HD21 ASN A 535 -14.241 1.157 1.847 1.00 1.38 H new ATOM 0 HD22 ASN A 535 -13.803 2.616 0.953 1.00 1.38 H new ATOM 559 N ASP A 536 -9.692 2.136 -0.043 1.00 0.21 N ATOM 560 CA ASP A 536 -9.490 1.119 -1.083 1.00 0.22 C ATOM 561 C ASP A 536 -8.082 0.538 -1.028 1.00 0.17 C ATOM 562 O ASP A 536 -7.882 -0.668 -1.187 1.00 0.16 O ATOM 563 CB ASP A 536 -9.765 1.695 -2.476 1.00 0.27 C ATOM 564 CG ASP A 536 -11.247 1.792 -2.783 1.00 0.37 C ATOM 565 OD1 ASP A 536 -11.821 0.801 -3.283 1.00 0.44 O ATOM 566 OD2 ASP A 536 -11.849 2.856 -2.531 1.00 0.61 O ATOM 0 H ASP A 536 -9.761 3.092 -0.392 1.00 0.21 H new ATOM 0 HA ASP A 536 -10.200 0.315 -0.890 1.00 0.22 H new ATOM 0 HB2 ASP A 536 -9.316 2.686 -2.551 1.00 0.27 H new ATOM 0 HB3 ASP A 536 -9.282 1.069 -3.226 1.00 0.27 H new ATOM 571 N VAL A 537 -7.118 1.415 -0.801 1.00 0.15 N ATOM 572 CA VAL A 537 -5.716 1.016 -0.702 1.00 0.13 C ATOM 573 C VAL A 537 -5.547 0.013 0.446 1.00 0.12 C ATOM 574 O VAL A 537 -4.955 -1.068 0.297 1.00 0.13 O ATOM 575 CB VAL A 537 -4.805 2.251 -0.486 1.00 0.12 C ATOM 576 CG1 VAL A 537 -3.334 1.879 -0.513 1.00 0.12 C ATOM 577 CG2 VAL A 537 -5.091 3.293 -1.549 1.00 0.13 C ATOM 0 H VAL A 537 -7.278 2.415 -0.681 1.00 0.15 H new ATOM 0 HA VAL A 537 -5.418 0.542 -1.637 1.00 0.13 H new ATOM 0 HB VAL A 537 -5.027 2.658 0.500 1.00 0.12 H new ATOM 0 HG11 VAL A 537 -2.730 2.773 -0.358 1.00 0.12 H new ATOM 0 HG12 VAL A 537 -3.126 1.159 0.278 1.00 0.12 H new ATOM 0 HG13 VAL A 537 -3.088 1.438 -1.479 1.00 0.12 H new ATOM 0 HG21 VAL A 537 -4.448 4.159 -1.392 1.00 0.13 H new ATOM 0 HG22 VAL A 537 -4.896 2.870 -2.535 1.00 0.13 H new ATOM 0 HG23 VAL A 537 -6.135 3.600 -1.486 1.00 0.13 H new ATOM 587 N ILE A 538 -6.120 0.365 1.581 1.00 0.12 N ATOM 588 CA ILE A 538 -6.132 -0.508 2.736 1.00 0.12 C ATOM 589 C ILE A 538 -7.016 -1.739 2.497 1.00 0.12 C ATOM 590 O ILE A 538 -6.729 -2.820 3.013 1.00 0.12 O ATOM 591 CB ILE A 538 -6.574 0.233 4.005 1.00 0.14 C ATOM 592 CG1 ILE A 538 -5.576 1.339 4.345 1.00 0.16 C ATOM 593 CG2 ILE A 538 -6.688 -0.739 5.161 1.00 0.14 C ATOM 594 CD1 ILE A 538 -5.949 2.120 5.583 1.00 0.23 C ATOM 0 H ILE A 538 -6.588 1.260 1.727 1.00 0.12 H new ATOM 0 HA ILE A 538 -5.107 -0.847 2.887 1.00 0.12 H new ATOM 0 HB ILE A 538 -7.550 0.685 3.826 1.00 0.14 H new ATOM 0 HG12 ILE A 538 -4.589 0.898 4.486 1.00 0.16 H new ATOM 0 HG13 ILE A 538 -5.501 2.024 3.500 1.00 0.16 H new ATOM 0 HG21 ILE A 538 -7.002 -0.204 6.057 1.00 0.14 H new ATOM 0 HG22 ILE A 538 -7.424 -1.506 4.920 1.00 0.14 H new ATOM 0 HG23 ILE A 538 -5.720 -1.208 5.339 1.00 0.14 H new ATOM 0 HD11 ILE A 538 -5.199 2.889 5.768 1.00 0.23 H new ATOM 0 HD12 ILE A 538 -6.922 2.589 5.438 1.00 0.23 H new ATOM 0 HD13 ILE A 538 -5.996 1.446 6.438 1.00 0.23 H new ATOM 606 N ASN A 539 -8.098 -1.574 1.728 1.00 0.12 N ATOM 607 CA ASN A 539 -8.972 -2.701 1.388 1.00 0.14 C ATOM 608 C ASN A 539 -8.176 -3.786 0.702 1.00 0.15 C ATOM 609 O ASN A 539 -8.558 -4.949 0.733 1.00 0.17 O ATOM 610 CB ASN A 539 -10.121 -2.320 0.435 1.00 0.17 C ATOM 611 CG ASN A 539 -11.210 -1.444 1.027 1.00 0.20 C ATOM 612 OD1 ASN A 539 -11.848 -0.676 0.304 1.00 0.25 O ATOM 613 ND2 ASN A 539 -11.447 -1.549 2.321 1.00 0.21 N ATOM 0 H ASN A 539 -8.387 -0.679 1.333 1.00 0.12 H new ATOM 0 HA ASN A 539 -9.397 -3.036 2.334 1.00 0.14 H new ATOM 0 HB2 ASN A 539 -9.697 -1.806 -0.427 1.00 0.17 H new ATOM 0 HB3 ASN A 539 -10.580 -3.237 0.065 1.00 0.17 H new ATOM 0 HD21 ASN A 539 -12.178 -0.984 2.753 1.00 0.21 H new ATOM 0 HD22 ASN A 539 -10.899 -2.195 2.889 1.00 0.21 H new ATOM 620 N LEU A 540 -7.105 -3.404 0.029 1.00 0.15 N ATOM 621 CA LEU A 540 -6.214 -4.382 -0.560 1.00 0.17 C ATOM 622 C LEU A 540 -5.333 -5.010 0.512 1.00 0.16 C ATOM 623 O LEU A 540 -5.096 -6.217 0.503 1.00 0.19 O ATOM 624 CB LEU A 540 -5.334 -3.723 -1.618 1.00 0.19 C ATOM 625 CG LEU A 540 -6.082 -3.105 -2.797 1.00 0.22 C ATOM 626 CD1 LEU A 540 -5.099 -2.683 -3.871 1.00 0.27 C ATOM 627 CD2 LEU A 540 -7.115 -4.072 -3.355 1.00 0.24 C ATOM 0 H LEU A 540 -6.835 -2.432 -0.121 1.00 0.15 H new ATOM 0 HA LEU A 540 -6.818 -5.160 -1.027 1.00 0.17 H new ATOM 0 HB2 LEU A 540 -4.739 -2.946 -1.139 1.00 0.19 H new ATOM 0 HB3 LEU A 540 -4.636 -4.467 -2.002 1.00 0.19 H new ATOM 0 HG LEU A 540 -6.614 -2.221 -2.445 1.00 0.22 H new ATOM 0 HD11 LEU A 540 -5.641 -2.243 -4.708 1.00 0.27 H new ATOM 0 HD12 LEU A 540 -4.406 -1.948 -3.461 1.00 0.27 H new ATOM 0 HD13 LEU A 540 -4.542 -3.554 -4.217 1.00 0.27 H new ATOM 0 HD21 LEU A 540 -7.633 -3.607 -4.194 1.00 0.24 H new ATOM 0 HD22 LEU A 540 -6.617 -4.980 -3.695 1.00 0.24 H new ATOM 0 HD23 LEU A 540 -7.836 -4.323 -2.577 1.00 0.24 H new ATOM 639 N GLY A 541 -4.850 -4.173 1.430 1.00 0.14 N ATOM 640 CA GLY A 541 -3.989 -4.648 2.507 1.00 0.16 C ATOM 641 C GLY A 541 -4.634 -5.616 3.496 1.00 0.15 C ATOM 642 O GLY A 541 -4.102 -6.694 3.753 1.00 0.19 O ATOM 0 H GLY A 541 -5.040 -3.171 1.448 1.00 0.14 H new ATOM 0 HA2 GLY A 541 -3.121 -5.136 2.064 1.00 0.16 H new ATOM 0 HA3 GLY A 541 -3.621 -3.784 3.061 1.00 0.16 H new ATOM 646 N LEU A 542 -5.782 -5.250 4.032 1.00 0.13 N ATOM 647 CA LEU A 542 -6.364 -5.970 5.171 1.00 0.14 C ATOM 648 C LEU A 542 -6.718 -7.445 4.910 1.00 0.16 C ATOM 649 O LEU A 542 -6.474 -8.285 5.774 1.00 0.20 O ATOM 650 CB LEU A 542 -7.578 -5.223 5.698 1.00 0.13 C ATOM 651 CG LEU A 542 -7.246 -3.980 6.515 1.00 0.14 C ATOM 652 CD1 LEU A 542 -8.497 -3.171 6.779 1.00 0.16 C ATOM 653 CD2 LEU A 542 -6.579 -4.375 7.825 1.00 0.16 C ATOM 0 H LEU A 542 -6.338 -4.460 3.704 1.00 0.13 H new ATOM 0 HA LEU A 542 -5.573 -6.000 5.920 1.00 0.14 H new ATOM 0 HB2 LEU A 542 -8.205 -4.932 4.855 1.00 0.13 H new ATOM 0 HB3 LEU A 542 -8.168 -5.901 6.315 1.00 0.13 H new ATOM 0 HG LEU A 542 -6.553 -3.362 5.944 1.00 0.14 H new ATOM 0 HD11 LEU A 542 -8.242 -2.287 7.364 1.00 0.16 H new ATOM 0 HD12 LEU A 542 -8.939 -2.864 5.831 1.00 0.16 H new ATOM 0 HD13 LEU A 542 -9.213 -3.778 7.333 1.00 0.16 H new ATOM 0 HD21 LEU A 542 -6.347 -3.478 8.400 1.00 0.16 H new ATOM 0 HD22 LEU A 542 -7.253 -5.010 8.400 1.00 0.16 H new ATOM 0 HD23 LEU A 542 -5.659 -4.920 7.615 1.00 0.16 H new ATOM 665 N PRO A 543 -7.313 -7.807 3.763 1.00 0.17 N ATOM 666 CA PRO A 543 -7.699 -9.200 3.504 1.00 0.19 C ATOM 667 C PRO A 543 -6.516 -10.171 3.522 1.00 0.20 C ATOM 668 O PRO A 543 -6.689 -11.352 3.826 1.00 0.23 O ATOM 669 CB PRO A 543 -8.336 -9.138 2.112 1.00 0.22 C ATOM 670 CG PRO A 543 -8.788 -7.729 1.990 1.00 0.21 C ATOM 671 CD PRO A 543 -7.706 -6.932 2.653 1.00 0.17 C ATOM 0 HA PRO A 543 -8.365 -9.581 4.278 1.00 0.19 H new ATOM 0 HB2 PRO A 543 -7.619 -9.397 1.333 1.00 0.22 H new ATOM 0 HB3 PRO A 543 -9.170 -9.834 2.022 1.00 0.22 H new ATOM 0 HG2 PRO A 543 -8.911 -7.440 0.946 1.00 0.21 H new ATOM 0 HG3 PRO A 543 -9.750 -7.577 2.479 1.00 0.21 H new ATOM 0 HD2 PRO A 543 -6.874 -6.733 1.977 1.00 0.17 H new ATOM 0 HD3 PRO A 543 -8.069 -5.966 3.005 1.00 0.17 H new ATOM 679 N PHE A 544 -5.316 -9.685 3.217 1.00 0.20 N ATOM 680 CA PHE A 544 -4.138 -10.548 3.202 1.00 0.22 C ATOM 681 C PHE A 544 -3.276 -10.367 4.449 1.00 0.22 C ATOM 682 O PHE A 544 -2.413 -11.195 4.733 1.00 0.28 O ATOM 683 CB PHE A 544 -3.290 -10.270 1.960 1.00 0.23 C ATOM 684 CG PHE A 544 -3.990 -10.559 0.668 1.00 0.25 C ATOM 685 CD1 PHE A 544 -4.102 -11.857 0.203 1.00 0.29 C ATOM 686 CD2 PHE A 544 -4.536 -9.532 -0.080 1.00 0.28 C ATOM 687 CE1 PHE A 544 -4.746 -12.127 -0.987 1.00 0.33 C ATOM 688 CE2 PHE A 544 -5.181 -9.794 -1.271 1.00 0.32 C ATOM 689 CZ PHE A 544 -5.288 -11.094 -1.724 1.00 0.33 C ATOM 0 H PHE A 544 -5.134 -8.710 2.979 1.00 0.20 H new ATOM 0 HA PHE A 544 -4.499 -11.576 3.185 1.00 0.22 H new ATOM 0 HB2 PHE A 544 -2.983 -9.224 1.969 1.00 0.23 H new ATOM 0 HB3 PHE A 544 -2.381 -10.870 2.011 1.00 0.23 H new ATOM 0 HD1 PHE A 544 -3.681 -12.668 0.778 1.00 0.29 H new ATOM 0 HD2 PHE A 544 -4.457 -8.514 0.272 1.00 0.28 H new ATOM 0 HE1 PHE A 544 -4.826 -13.144 -1.341 1.00 0.33 H new ATOM 0 HE2 PHE A 544 -5.602 -8.984 -1.848 1.00 0.32 H new ATOM 0 HZ PHE A 544 -5.795 -11.302 -2.654 1.00 0.33 H new ATOM 699 N GLY A 545 -3.503 -9.295 5.193 1.00 0.19 N ATOM 700 CA GLY A 545 -2.678 -9.029 6.356 1.00 0.21 C ATOM 701 C GLY A 545 -3.205 -7.885 7.193 1.00 0.21 C ATOM 702 O GLY A 545 -4.264 -7.339 6.911 1.00 0.44 O ATOM 0 H GLY A 545 -4.237 -8.609 5.016 1.00 0.19 H new ATOM 0 HA2 GLY A 545 -2.621 -9.928 6.970 1.00 0.21 H new ATOM 0 HA3 GLY A 545 -1.663 -8.800 6.032 1.00 0.21 H new ATOM 706 N LYS A 546 -2.468 -7.514 8.221 1.00 0.27 N ATOM 707 CA LYS A 546 -2.904 -6.453 9.110 1.00 0.25 C ATOM 708 C LYS A 546 -2.295 -5.132 8.674 1.00 0.20 C ATOM 709 O LYS A 546 -1.073 -5.014 8.576 1.00 0.24 O ATOM 710 CB LYS A 546 -2.510 -6.769 10.555 1.00 0.35 C ATOM 711 CG LYS A 546 -2.892 -5.677 11.544 1.00 0.41 C ATOM 712 CD LYS A 546 -2.526 -6.051 12.975 1.00 0.92 C ATOM 713 CE LYS A 546 -3.342 -7.233 13.478 1.00 1.60 C ATOM 714 NZ LYS A 546 -4.795 -6.925 13.539 1.00 2.07 N ATOM 0 H LYS A 546 -1.568 -7.929 8.462 1.00 0.27 H new ATOM 0 HA LYS A 546 -3.990 -6.376 9.060 1.00 0.25 H new ATOM 0 HB2 LYS A 546 -2.985 -7.703 10.856 1.00 0.35 H new ATOM 0 HB3 LYS A 546 -1.433 -6.930 10.602 1.00 0.35 H new ATOM 0 HG2 LYS A 546 -2.389 -4.749 11.272 1.00 0.41 H new ATOM 0 HG3 LYS A 546 -3.964 -5.489 11.481 1.00 0.41 H new ATOM 0 HD2 LYS A 546 -1.465 -6.294 13.027 1.00 0.92 H new ATOM 0 HD3 LYS A 546 -2.689 -5.193 13.628 1.00 0.92 H new ATOM 0 HE2 LYS A 546 -3.181 -8.089 12.823 1.00 1.60 H new ATOM 0 HE3 LYS A 546 -2.991 -7.520 14.469 1.00 1.60 H new ATOM 0 HZ1 LYS A 546 -5.281 -7.654 14.100 1.00 2.07 H new ATOM 0 HZ2 LYS A 546 -4.934 -5.995 13.984 1.00 2.07 H new ATOM 0 HZ3 LYS A 546 -5.187 -6.910 12.576 1.00 2.07 H new ATOM 728 N VAL A 547 -3.137 -4.148 8.399 1.00 0.16 N ATOM 729 CA VAL A 547 -2.660 -2.822 8.073 1.00 0.15 C ATOM 730 C VAL A 547 -2.500 -1.994 9.338 1.00 0.18 C ATOM 731 O VAL A 547 -3.474 -1.684 10.029 1.00 0.20 O ATOM 732 CB VAL A 547 -3.633 -2.124 7.100 1.00 0.16 C ATOM 733 CG1 VAL A 547 -3.227 -0.682 6.838 1.00 0.18 C ATOM 734 CG2 VAL A 547 -3.708 -2.905 5.800 1.00 0.14 C ATOM 0 H VAL A 547 -4.152 -4.247 8.396 1.00 0.16 H new ATOM 0 HA VAL A 547 -1.688 -2.913 7.588 1.00 0.15 H new ATOM 0 HB VAL A 547 -4.620 -2.102 7.563 1.00 0.16 H new ATOM 0 HG11 VAL A 547 -3.936 -0.224 6.148 1.00 0.18 H new ATOM 0 HG12 VAL A 547 -3.225 -0.128 7.777 1.00 0.18 H new ATOM 0 HG13 VAL A 547 -2.229 -0.659 6.401 1.00 0.18 H new ATOM 0 HG21 VAL A 547 -4.396 -2.408 5.116 1.00 0.14 H new ATOM 0 HG22 VAL A 547 -2.718 -2.953 5.347 1.00 0.14 H new ATOM 0 HG23 VAL A 547 -4.064 -3.915 6.002 1.00 0.14 H new ATOM 744 N THR A 548 -1.263 -1.664 9.648 1.00 0.20 N ATOM 745 CA THR A 548 -0.963 -0.841 10.801 1.00 0.23 C ATOM 746 C THR A 548 -0.755 0.613 10.410 1.00 0.23 C ATOM 747 O THR A 548 -1.165 1.525 11.128 1.00 0.27 O ATOM 748 CB THR A 548 0.287 -1.380 11.512 1.00 0.27 C ATOM 749 OG1 THR A 548 1.325 -1.599 10.548 1.00 0.26 O ATOM 750 CG2 THR A 548 -0.019 -2.679 12.239 1.00 0.31 C ATOM 0 H THR A 548 -0.445 -1.955 9.114 1.00 0.20 H new ATOM 0 HA THR A 548 -1.816 -0.884 11.478 1.00 0.23 H new ATOM 0 HB THR A 548 0.613 -0.645 12.248 1.00 0.27 H new ATOM 0 HG1 THR A 548 1.982 -0.874 10.605 1.00 0.26 H new ATOM 0 HG21 THR A 548 0.882 -3.040 12.734 1.00 0.31 H new ATOM 0 HG22 THR A 548 -0.797 -2.505 12.983 1.00 0.31 H new ATOM 0 HG23 THR A 548 -0.363 -3.425 11.522 1.00 0.31 H new ATOM 758 N ASN A 549 -0.174 0.822 9.238 1.00 0.20 N ATOM 759 CA ASN A 549 0.116 2.163 8.744 1.00 0.21 C ATOM 760 C ASN A 549 -0.160 2.247 7.256 1.00 0.18 C ATOM 761 O ASN A 549 -0.062 1.257 6.535 1.00 0.20 O ATOM 762 CB ASN A 549 1.582 2.569 8.991 1.00 0.26 C ATOM 763 CG ASN A 549 1.914 2.956 10.425 1.00 0.40 C ATOM 764 OD1 ASN A 549 1.279 2.523 11.382 1.00 1.26 O ATOM 765 ND2 ASN A 549 2.941 3.774 10.579 1.00 0.81 N ATOM 0 H ASN A 549 0.109 0.074 8.605 1.00 0.20 H new ATOM 0 HA ASN A 549 -0.532 2.846 9.293 1.00 0.21 H new ATOM 0 HB2 ASN A 549 2.226 1.741 8.697 1.00 0.26 H new ATOM 0 HB3 ASN A 549 1.825 3.409 8.339 1.00 0.26 H new ATOM 0 HD21 ASN A 549 3.227 4.063 11.514 1.00 0.81 H new ATOM 0 HD22 ASN A 549 3.448 4.116 9.762 1.00 0.81 H new ATOM 772 N TYR A 550 -0.524 3.433 6.814 1.00 0.17 N ATOM 773 CA TYR A 550 -0.811 3.689 5.421 1.00 0.17 C ATOM 774 C TYR A 550 -0.513 5.148 5.114 1.00 0.17 C ATOM 775 O TYR A 550 -0.612 6.001 5.998 1.00 0.17 O ATOM 776 CB TYR A 550 -2.277 3.358 5.122 1.00 0.17 C ATOM 777 CG TYR A 550 -3.273 4.131 5.969 1.00 0.17 C ATOM 778 CD1 TYR A 550 -4.189 4.982 5.378 1.00 0.19 C ATOM 779 CD2 TYR A 550 -3.298 4.007 7.356 1.00 0.19 C ATOM 780 CE1 TYR A 550 -5.100 5.687 6.140 1.00 0.22 C ATOM 781 CE2 TYR A 550 -4.205 4.710 8.123 1.00 0.24 C ATOM 782 CZ TYR A 550 -5.105 5.550 7.506 1.00 0.25 C ATOM 783 OH TYR A 550 -6.019 6.252 8.256 1.00 0.31 O ATOM 0 H TYR A 550 -0.629 4.250 7.416 1.00 0.17 H new ATOM 0 HA TYR A 550 -0.185 3.058 4.790 1.00 0.17 H new ATOM 0 HB2 TYR A 550 -2.477 3.561 4.070 1.00 0.17 H new ATOM 0 HB3 TYR A 550 -2.436 2.291 5.277 1.00 0.17 H new ATOM 0 HD1 TYR A 550 -4.192 5.097 4.304 1.00 0.19 H new ATOM 0 HD2 TYR A 550 -2.594 3.348 7.841 1.00 0.19 H new ATOM 0 HE1 TYR A 550 -5.809 6.346 5.661 1.00 0.22 H new ATOM 0 HE2 TYR A 550 -4.209 4.602 9.198 1.00 0.24 H new ATOM 0 HH TYR A 550 -5.892 6.044 9.205 1.00 0.31 H new ATOM 793 N ILE A 551 -0.140 5.436 3.879 1.00 0.18 N ATOM 794 CA ILE A 551 0.244 6.780 3.478 1.00 0.16 C ATOM 795 C ILE A 551 -0.231 7.005 2.057 1.00 0.17 C ATOM 796 O ILE A 551 0.121 6.236 1.169 1.00 0.20 O ATOM 797 CB ILE A 551 1.783 6.961 3.509 1.00 0.18 C ATOM 798 CG1 ILE A 551 2.367 6.525 4.860 1.00 0.19 C ATOM 799 CG2 ILE A 551 2.159 8.407 3.218 1.00 0.22 C ATOM 800 CD1 ILE A 551 3.878 6.614 4.933 1.00 0.20 C ATOM 0 H ILE A 551 -0.095 4.748 3.128 1.00 0.18 H new ATOM 0 HA ILE A 551 -0.204 7.491 4.171 1.00 0.16 H new ATOM 0 HB ILE A 551 2.207 6.324 2.733 1.00 0.18 H new ATOM 0 HG12 ILE A 551 1.938 7.145 5.647 1.00 0.19 H new ATOM 0 HG13 ILE A 551 2.063 5.498 5.062 1.00 0.19 H new ATOM 0 HG21 ILE A 551 3.243 8.513 3.244 1.00 0.22 H new ATOM 0 HG22 ILE A 551 1.791 8.687 2.231 1.00 0.22 H new ATOM 0 HG23 ILE A 551 1.712 9.057 3.970 1.00 0.22 H new ATOM 0 HD11 ILE A 551 4.214 6.289 5.918 1.00 0.20 H new ATOM 0 HD12 ILE A 551 4.318 5.972 4.170 1.00 0.20 H new ATOM 0 HD13 ILE A 551 4.190 7.645 4.764 1.00 0.20 H new ATOM 812 N LEU A 552 -1.025 8.029 1.824 1.00 0.16 N ATOM 813 CA LEU A 552 -1.515 8.279 0.483 1.00 0.19 C ATOM 814 C LEU A 552 -0.826 9.489 -0.100 1.00 0.19 C ATOM 815 O LEU A 552 -0.931 10.576 0.451 1.00 0.26 O ATOM 816 CB LEU A 552 -3.020 8.510 0.466 1.00 0.27 C ATOM 817 CG LEU A 552 -3.893 7.308 0.783 1.00 0.30 C ATOM 818 CD1 LEU A 552 -5.324 7.656 0.462 1.00 0.43 C ATOM 819 CD2 LEU A 552 -3.455 6.080 0.005 1.00 0.42 C ATOM 0 H LEU A 552 -1.341 8.692 2.532 1.00 0.16 H new ATOM 0 HA LEU A 552 -1.295 7.394 -0.115 1.00 0.19 H new ATOM 0 HB2 LEU A 552 -3.252 9.299 1.182 1.00 0.27 H new ATOM 0 HB3 LEU A 552 -3.297 8.882 -0.520 1.00 0.27 H new ATOM 0 HG LEU A 552 -3.795 7.066 1.841 1.00 0.30 H new ATOM 0 HD11 LEU A 552 -5.965 6.803 0.684 1.00 0.43 H new ATOM 0 HD12 LEU A 552 -5.635 8.510 1.064 1.00 0.43 H new ATOM 0 HD13 LEU A 552 -5.409 7.908 -0.595 1.00 0.43 H new ATOM 0 HD21 LEU A 552 -4.102 5.240 0.257 1.00 0.42 H new ATOM 0 HD22 LEU A 552 -3.523 6.283 -1.064 1.00 0.42 H new ATOM 0 HD23 LEU A 552 -2.425 5.835 0.262 1.00 0.42 H new ATOM 831 N MET A 553 -0.166 9.334 -1.228 1.00 0.18 N ATOM 832 CA MET A 553 0.502 10.471 -1.829 1.00 0.26 C ATOM 833 C MET A 553 -0.254 10.870 -3.078 1.00 0.26 C ATOM 834 O MET A 553 0.098 10.489 -4.196 1.00 0.25 O ATOM 835 CB MET A 553 1.952 10.133 -2.178 1.00 0.35 C ATOM 836 CG MET A 553 2.765 9.623 -1.002 1.00 0.56 C ATOM 837 SD MET A 553 4.459 9.210 -1.465 1.00 1.03 S ATOM 838 CE MET A 553 4.175 7.954 -2.703 1.00 0.80 C ATOM 0 H MET A 553 -0.077 8.455 -1.738 1.00 0.18 H new ATOM 0 HA MET A 553 0.516 11.297 -1.118 1.00 0.26 H new ATOM 0 HB2 MET A 553 1.960 9.380 -2.966 1.00 0.35 H new ATOM 0 HB3 MET A 553 2.435 11.023 -2.582 1.00 0.35 H new ATOM 0 HG2 MET A 553 2.780 10.380 -0.218 1.00 0.56 H new ATOM 0 HG3 MET A 553 2.280 8.741 -0.584 1.00 0.56 H new ATOM 0 HE1 MET A 553 4.961 7.201 -2.644 1.00 0.80 H new ATOM 0 HE2 MET A 553 3.208 7.483 -2.528 1.00 0.80 H new ATOM 0 HE3 MET A 553 4.183 8.410 -3.693 1.00 0.80 H new ATOM 848 N LYS A 554 -1.307 11.637 -2.859 1.00 0.32 N ATOM 849 CA LYS A 554 -2.139 12.155 -3.939 1.00 0.37 C ATOM 850 C LYS A 554 -1.334 12.907 -4.990 1.00 0.38 C ATOM 851 O LYS A 554 -1.700 12.909 -6.164 1.00 0.40 O ATOM 852 CB LYS A 554 -3.215 13.076 -3.372 1.00 0.47 C ATOM 853 CG LYS A 554 -3.770 12.630 -2.027 1.00 0.43 C ATOM 854 CD LYS A 554 -4.364 11.230 -2.074 1.00 0.37 C ATOM 855 CE LYS A 554 -5.041 10.887 -0.758 1.00 0.39 C ATOM 856 NZ LYS A 554 -6.125 11.847 -0.417 1.00 1.03 N ATOM 0 H LYS A 554 -1.613 11.921 -1.928 1.00 0.32 H new ATOM 0 HA LYS A 554 -2.596 11.294 -4.428 1.00 0.37 H new ATOM 0 HB2 LYS A 554 -2.801 14.079 -3.268 1.00 0.47 H new ATOM 0 HB3 LYS A 554 -4.035 13.142 -4.087 1.00 0.47 H new ATOM 0 HG2 LYS A 554 -2.974 12.658 -1.282 1.00 0.43 H new ATOM 0 HG3 LYS A 554 -4.536 13.335 -1.702 1.00 0.43 H new ATOM 0 HD2 LYS A 554 -5.086 11.164 -2.888 1.00 0.37 H new ATOM 0 HD3 LYS A 554 -3.579 10.504 -2.284 1.00 0.37 H new ATOM 0 HE2 LYS A 554 -5.455 9.880 -0.816 1.00 0.39 H new ATOM 0 HE3 LYS A 554 -4.299 10.881 0.040 1.00 0.39 H new ATOM 0 HZ1 LYS A 554 -6.769 11.412 0.275 1.00 1.03 H new ATOM 0 HZ2 LYS A 554 -5.710 12.709 -0.009 1.00 1.03 H new ATOM 0 HZ3 LYS A 554 -6.655 12.092 -1.277 1.00 1.03 H new ATOM 870 N SER A 555 -0.236 13.524 -4.586 1.00 0.40 N ATOM 871 CA SER A 555 0.530 14.352 -5.494 1.00 0.44 C ATOM 872 C SER A 555 1.233 13.501 -6.552 1.00 0.38 C ATOM 873 O SER A 555 1.265 13.859 -7.731 1.00 0.38 O ATOM 874 CB SER A 555 1.535 15.192 -4.699 1.00 0.51 C ATOM 875 OG SER A 555 2.380 14.369 -3.907 1.00 0.50 O ATOM 0 H SER A 555 0.141 13.466 -3.640 1.00 0.40 H new ATOM 0 HA SER A 555 -0.149 15.023 -6.019 1.00 0.44 H new ATOM 0 HB2 SER A 555 2.140 15.785 -5.385 1.00 0.51 H new ATOM 0 HB3 SER A 555 1.000 15.893 -4.058 1.00 0.51 H new ATOM 0 HG SER A 555 3.012 14.930 -3.412 1.00 0.50 H new ATOM 881 N THR A 556 1.785 12.368 -6.131 1.00 0.34 N ATOM 882 CA THR A 556 2.532 11.502 -7.033 1.00 0.32 C ATOM 883 C THR A 556 1.687 10.342 -7.555 1.00 0.27 C ATOM 884 O THR A 556 2.190 9.479 -8.276 1.00 0.28 O ATOM 885 CB THR A 556 3.770 10.928 -6.318 1.00 0.36 C ATOM 886 OG1 THR A 556 3.363 10.184 -5.162 1.00 0.34 O ATOM 887 CG2 THR A 556 4.715 12.035 -5.887 1.00 0.45 C ATOM 0 H THR A 556 1.729 12.029 -5.171 1.00 0.34 H new ATOM 0 HA THR A 556 2.832 12.117 -7.881 1.00 0.32 H new ATOM 0 HB THR A 556 4.291 10.275 -7.019 1.00 0.36 H new ATOM 0 HG1 THR A 556 3.906 10.453 -4.392 1.00 0.34 H new ATOM 0 HG21 THR A 556 5.580 11.600 -5.385 1.00 0.45 H new ATOM 0 HG22 THR A 556 5.046 12.592 -6.763 1.00 0.45 H new ATOM 0 HG23 THR A 556 4.199 12.708 -5.203 1.00 0.45 H new ATOM 895 N ASN A 557 0.404 10.336 -7.186 1.00 0.26 N ATOM 896 CA ASN A 557 -0.529 9.273 -7.588 1.00 0.26 C ATOM 897 C ASN A 557 -0.028 7.914 -7.102 1.00 0.21 C ATOM 898 O ASN A 557 -0.153 6.897 -7.788 1.00 0.25 O ATOM 899 CB ASN A 557 -0.715 9.246 -9.116 1.00 0.31 C ATOM 900 CG ASN A 557 -1.492 10.437 -9.666 1.00 0.38 C ATOM 901 OD1 ASN A 557 -2.216 10.309 -10.655 1.00 1.09 O ATOM 902 ND2 ASN A 557 -1.337 11.601 -9.052 1.00 1.28 N ATOM 0 H ASN A 557 -0.018 11.060 -6.605 1.00 0.26 H new ATOM 0 HA ASN A 557 -1.494 9.484 -7.128 1.00 0.26 H new ATOM 0 HB2 ASN A 557 0.266 9.214 -9.591 1.00 0.31 H new ATOM 0 HB3 ASN A 557 -1.233 8.328 -9.393 1.00 0.31 H new ATOM 0 HD21 ASN A 557 -1.825 12.428 -9.396 1.00 1.28 H new ATOM 0 HD22 ASN A 557 -0.729 11.670 -8.236 1.00 1.28 H new ATOM 909 N GLN A 558 0.525 7.912 -5.900 1.00 0.17 N ATOM 910 CA GLN A 558 1.120 6.722 -5.307 1.00 0.17 C ATOM 911 C GLN A 558 0.824 6.675 -3.823 1.00 0.16 C ATOM 912 O GLN A 558 0.340 7.650 -3.261 1.00 0.20 O ATOM 913 CB GLN A 558 2.628 6.708 -5.543 1.00 0.22 C ATOM 914 CG GLN A 558 3.016 6.490 -6.990 1.00 0.29 C ATOM 915 CD GLN A 558 4.454 6.864 -7.264 1.00 0.41 C ATOM 916 OE1 GLN A 558 5.365 6.067 -7.048 1.00 0.78 O ATOM 917 NE2 GLN A 558 4.662 8.067 -7.767 1.00 0.84 N ATOM 0 H GLN A 558 0.575 8.739 -5.304 1.00 0.17 H new ATOM 0 HA GLN A 558 0.685 5.842 -5.781 1.00 0.17 H new ATOM 0 HB2 GLN A 558 3.049 7.654 -5.202 1.00 0.22 H new ATOM 0 HB3 GLN A 558 3.075 5.922 -4.934 1.00 0.22 H new ATOM 0 HG2 GLN A 558 2.860 5.443 -7.251 1.00 0.29 H new ATOM 0 HG3 GLN A 558 2.362 7.080 -7.632 1.00 0.29 H new ATOM 0 HE21 GLN A 558 3.875 8.695 -7.929 1.00 0.84 H new ATOM 0 HE22 GLN A 558 5.610 8.368 -7.993 1.00 0.84 H new ATOM 926 N ALA A 559 1.084 5.543 -3.187 1.00 0.15 N ATOM 927 CA ALA A 559 0.771 5.386 -1.781 1.00 0.14 C ATOM 928 C ALA A 559 1.626 4.294 -1.129 1.00 0.14 C ATOM 929 O ALA A 559 2.294 3.519 -1.810 1.00 0.16 O ATOM 930 CB ALA A 559 -0.706 5.084 -1.635 1.00 0.15 C ATOM 0 H ALA A 559 1.509 4.725 -3.623 1.00 0.15 H new ATOM 0 HA ALA A 559 1.004 6.316 -1.262 1.00 0.14 H new ATOM 0 HB1 ALA A 559 -0.950 4.964 -0.579 1.00 0.15 H new ATOM 0 HB2 ALA A 559 -1.288 5.906 -2.051 1.00 0.15 H new ATOM 0 HB3 ALA A 559 -0.944 4.164 -2.169 1.00 0.15 H new ATOM 936 N PHE A 560 1.638 4.283 0.193 1.00 0.14 N ATOM 937 CA PHE A 560 2.350 3.260 0.957 1.00 0.15 C ATOM 938 C PHE A 560 1.406 2.495 1.871 1.00 0.14 C ATOM 939 O PHE A 560 0.406 3.037 2.349 1.00 0.16 O ATOM 940 CB PHE A 560 3.479 3.865 1.795 1.00 0.16 C ATOM 941 CG PHE A 560 4.635 4.395 0.994 1.00 0.20 C ATOM 942 CD1 PHE A 560 5.756 3.619 0.769 1.00 0.26 C ATOM 943 CD2 PHE A 560 4.586 5.666 0.448 1.00 0.29 C ATOM 944 CE1 PHE A 560 6.808 4.097 0.015 1.00 0.30 C ATOM 945 CE2 PHE A 560 5.638 6.153 -0.305 1.00 0.35 C ATOM 946 CZ PHE A 560 6.793 5.382 -0.451 1.00 0.30 C ATOM 0 H PHE A 560 1.159 4.976 0.769 1.00 0.14 H new ATOM 0 HA PHE A 560 2.780 2.572 0.229 1.00 0.15 H new ATOM 0 HB2 PHE A 560 3.071 4.675 2.400 1.00 0.16 H new ATOM 0 HB3 PHE A 560 3.849 3.106 2.485 1.00 0.16 H new ATOM 0 HD1 PHE A 560 5.809 2.625 1.189 1.00 0.26 H new ATOM 0 HD2 PHE A 560 3.716 6.284 0.612 1.00 0.29 H new ATOM 0 HE1 PHE A 560 7.646 3.454 -0.208 1.00 0.30 H new ATOM 0 HE2 PHE A 560 5.567 7.122 -0.777 1.00 0.35 H new ATOM 0 HZ PHE A 560 7.668 5.798 -0.929 1.00 0.30 H new ATOM 956 N LEU A 561 1.746 1.238 2.111 1.00 0.14 N ATOM 957 CA LEU A 561 0.944 0.355 2.943 1.00 0.14 C ATOM 958 C LEU A 561 1.852 -0.454 3.869 1.00 0.16 C ATOM 959 O LEU A 561 2.734 -1.180 3.411 1.00 0.18 O ATOM 960 CB LEU A 561 0.124 -0.576 2.041 1.00 0.15 C ATOM 961 CG LEU A 561 -0.818 -1.550 2.749 1.00 0.17 C ATOM 962 CD1 LEU A 561 -1.935 -0.794 3.455 1.00 0.19 C ATOM 963 CD2 LEU A 561 -1.392 -2.546 1.747 1.00 0.20 C ATOM 0 H LEU A 561 2.587 0.801 1.734 1.00 0.14 H new ATOM 0 HA LEU A 561 0.265 0.943 3.560 1.00 0.14 H new ATOM 0 HB2 LEU A 561 -0.467 0.039 1.362 1.00 0.15 H new ATOM 0 HB3 LEU A 561 0.815 -1.154 1.428 1.00 0.15 H new ATOM 0 HG LEU A 561 -0.252 -2.100 3.501 1.00 0.17 H new ATOM 0 HD11 LEU A 561 -2.596 -1.503 3.953 1.00 0.19 H new ATOM 0 HD12 LEU A 561 -1.506 -0.117 4.194 1.00 0.19 H new ATOM 0 HD13 LEU A 561 -2.504 -0.220 2.724 1.00 0.19 H new ATOM 0 HD21 LEU A 561 -2.062 -3.235 2.262 1.00 0.20 H new ATOM 0 HD22 LEU A 561 -1.946 -2.009 0.977 1.00 0.20 H new ATOM 0 HD23 LEU A 561 -0.579 -3.107 1.285 1.00 0.20 H new ATOM 975 N GLU A 562 1.651 -0.307 5.170 1.00 0.17 N ATOM 976 CA GLU A 562 2.444 -1.045 6.145 1.00 0.20 C ATOM 977 C GLU A 562 1.684 -2.264 6.640 1.00 0.18 C ATOM 978 O GLU A 562 0.505 -2.185 6.994 1.00 0.18 O ATOM 979 CB GLU A 562 2.828 -0.168 7.337 1.00 0.27 C ATOM 980 CG GLU A 562 3.853 -0.818 8.259 1.00 0.57 C ATOM 981 CD GLU A 562 4.152 0.008 9.494 1.00 1.17 C ATOM 982 OE1 GLU A 562 4.879 1.019 9.377 1.00 2.09 O ATOM 983 OE2 GLU A 562 3.655 -0.342 10.583 1.00 1.21 O ATOM 0 H GLU A 562 0.950 0.313 5.575 1.00 0.17 H new ATOM 0 HA GLU A 562 3.357 -1.365 5.643 1.00 0.20 H new ATOM 0 HB2 GLU A 562 3.228 0.777 6.970 1.00 0.27 H new ATOM 0 HB3 GLU A 562 1.931 0.067 7.910 1.00 0.27 H new ATOM 0 HG2 GLU A 562 3.487 -1.798 8.565 1.00 0.57 H new ATOM 0 HG3 GLU A 562 4.778 -0.981 7.706 1.00 0.57 H new ATOM 990 N MET A 563 2.381 -3.386 6.657 1.00 0.25 N ATOM 991 CA MET A 563 1.807 -4.658 7.046 1.00 0.23 C ATOM 992 C MET A 563 2.544 -5.185 8.269 1.00 0.27 C ATOM 993 O MET A 563 3.722 -4.877 8.470 1.00 0.39 O ATOM 994 CB MET A 563 1.920 -5.630 5.873 1.00 0.25 C ATOM 995 CG MET A 563 1.352 -5.052 4.586 1.00 0.25 C ATOM 996 SD MET A 563 1.814 -5.982 3.121 1.00 0.31 S ATOM 997 CE MET A 563 1.129 -4.935 1.836 1.00 0.25 C ATOM 0 H MET A 563 3.367 -3.439 6.400 1.00 0.25 H new ATOM 0 HA MET A 563 0.754 -4.543 7.303 1.00 0.23 H new ATOM 0 HB2 MET A 563 2.967 -5.891 5.720 1.00 0.25 H new ATOM 0 HB3 MET A 563 1.394 -6.553 6.117 1.00 0.25 H new ATOM 0 HG2 MET A 563 0.265 -5.021 4.659 1.00 0.25 H new ATOM 0 HG3 MET A 563 1.694 -4.023 4.477 1.00 0.25 H new ATOM 0 HE1 MET A 563 1.285 -5.402 0.864 1.00 0.25 H new ATOM 0 HE2 MET A 563 0.061 -4.801 2.007 1.00 0.25 H new ATOM 0 HE3 MET A 563 1.624 -3.964 1.856 1.00 0.25 H new ATOM 1007 N ALA A 564 1.856 -5.987 9.070 1.00 0.28 N ATOM 1008 CA ALA A 564 2.357 -6.374 10.385 1.00 0.33 C ATOM 1009 C ALA A 564 3.439 -7.440 10.288 1.00 0.27 C ATOM 1010 O ALA A 564 4.224 -7.622 11.217 1.00 0.40 O ATOM 1011 CB ALA A 564 1.217 -6.854 11.269 1.00 0.50 C ATOM 0 H ALA A 564 0.947 -6.384 8.833 1.00 0.28 H new ATOM 0 HA ALA A 564 2.807 -5.490 10.836 1.00 0.33 H new ATOM 0 HB1 ALA A 564 1.609 -7.138 12.246 1.00 0.50 H new ATOM 0 HB2 ALA A 564 0.488 -6.053 11.390 1.00 0.50 H new ATOM 0 HB3 ALA A 564 0.736 -7.716 10.806 1.00 0.50 H new ATOM 1017 N TYR A 565 3.479 -8.138 9.162 1.00 0.27 N ATOM 1018 CA TYR A 565 4.468 -9.185 8.945 1.00 0.37 C ATOM 1019 C TYR A 565 4.952 -9.167 7.499 1.00 0.33 C ATOM 1020 O TYR A 565 4.223 -8.759 6.594 1.00 0.29 O ATOM 1021 CB TYR A 565 3.876 -10.557 9.280 1.00 0.55 C ATOM 1022 CG TYR A 565 3.484 -10.719 10.733 1.00 0.68 C ATOM 1023 CD1 TYR A 565 2.153 -10.663 11.124 1.00 0.75 C ATOM 1024 CD2 TYR A 565 4.448 -10.920 11.712 1.00 0.86 C ATOM 1025 CE1 TYR A 565 1.794 -10.802 12.450 1.00 0.90 C ATOM 1026 CE2 TYR A 565 4.096 -11.061 13.040 1.00 1.00 C ATOM 1027 CZ TYR A 565 2.768 -11.002 13.404 1.00 0.98 C ATOM 1028 OH TYR A 565 2.413 -11.139 14.728 1.00 1.15 O ATOM 0 H TYR A 565 2.836 -7.998 8.382 1.00 0.27 H new ATOM 0 HA TYR A 565 5.316 -8.998 9.603 1.00 0.37 H new ATOM 0 HB2 TYR A 565 2.998 -10.725 8.656 1.00 0.55 H new ATOM 0 HB3 TYR A 565 4.602 -11.328 9.022 1.00 0.55 H new ATOM 0 HD1 TYR A 565 1.386 -10.508 10.379 1.00 0.75 H new ATOM 0 HD2 TYR A 565 5.490 -10.967 11.430 1.00 0.86 H new ATOM 0 HE1 TYR A 565 0.754 -10.754 12.738 1.00 0.90 H new ATOM 0 HE2 TYR A 565 4.858 -11.217 13.790 1.00 1.00 H new ATOM 0 HH TYR A 565 3.218 -11.274 15.270 1.00 1.15 H new ATOM 1038 N THR A 566 6.189 -9.616 7.299 1.00 0.39 N ATOM 1039 CA THR A 566 6.804 -9.635 5.976 1.00 0.40 C ATOM 1040 C THR A 566 6.101 -10.652 5.074 1.00 0.36 C ATOM 1041 O THR A 566 6.066 -10.496 3.851 1.00 0.35 O ATOM 1042 CB THR A 566 8.325 -9.932 6.054 1.00 0.51 C ATOM 1043 OG1 THR A 566 8.936 -9.755 4.770 1.00 0.57 O ATOM 1044 CG2 THR A 566 8.597 -11.345 6.552 1.00 0.57 C ATOM 0 H THR A 566 6.788 -9.974 8.043 1.00 0.39 H new ATOM 0 HA THR A 566 6.687 -8.642 5.543 1.00 0.40 H new ATOM 0 HB THR A 566 8.756 -9.228 6.765 1.00 0.51 H new ATOM 0 HG1 THR A 566 9.895 -9.944 4.835 1.00 0.57 H new ATOM 0 HG21 THR A 566 9.673 -11.516 6.593 1.00 0.57 H new ATOM 0 HG22 THR A 566 8.172 -11.468 7.548 1.00 0.57 H new ATOM 0 HG23 THR A 566 8.141 -12.065 5.872 1.00 0.57 H new ATOM 1052 N GLU A 567 5.526 -11.683 5.693 1.00 0.38 N ATOM 1053 CA GLU A 567 4.748 -12.684 4.972 1.00 0.40 C ATOM 1054 C GLU A 567 3.576 -12.049 4.233 1.00 0.31 C ATOM 1055 O GLU A 567 3.177 -12.516 3.167 1.00 0.32 O ATOM 1056 CB GLU A 567 4.243 -13.772 5.922 1.00 0.49 C ATOM 1057 CG GLU A 567 3.484 -13.243 7.128 1.00 0.55 C ATOM 1058 CD GLU A 567 2.821 -14.351 7.915 1.00 0.71 C ATOM 1059 OE1 GLU A 567 3.482 -14.946 8.790 1.00 0.89 O ATOM 1060 OE2 GLU A 567 1.633 -14.644 7.653 1.00 0.84 O ATOM 0 H GLU A 567 5.587 -11.845 6.698 1.00 0.38 H new ATOM 0 HA GLU A 567 5.409 -13.142 4.236 1.00 0.40 H new ATOM 0 HB2 GLU A 567 3.594 -14.450 5.368 1.00 0.49 H new ATOM 0 HB3 GLU A 567 5.094 -14.358 6.270 1.00 0.49 H new ATOM 0 HG2 GLU A 567 4.170 -12.699 7.777 1.00 0.55 H new ATOM 0 HG3 GLU A 567 2.727 -12.532 6.796 1.00 0.55 H new ATOM 1067 N ALA A 568 3.037 -10.977 4.798 1.00 0.26 N ATOM 1068 CA ALA A 568 1.886 -10.317 4.215 1.00 0.24 C ATOM 1069 C ALA A 568 2.294 -9.557 2.965 1.00 0.21 C ATOM 1070 O ALA A 568 1.615 -9.619 1.943 1.00 0.22 O ATOM 1071 CB ALA A 568 1.243 -9.381 5.223 1.00 0.25 C ATOM 0 H ALA A 568 3.381 -10.550 5.658 1.00 0.26 H new ATOM 0 HA ALA A 568 1.154 -11.075 3.937 1.00 0.24 H new ATOM 0 HB1 ALA A 568 0.380 -8.894 4.768 1.00 0.25 H new ATOM 0 HB2 ALA A 568 0.921 -9.951 6.094 1.00 0.25 H new ATOM 0 HB3 ALA A 568 1.966 -8.626 5.531 1.00 0.25 H new ATOM 1077 N ALA A 569 3.430 -8.876 3.045 1.00 0.19 N ATOM 1078 CA ALA A 569 3.896 -8.035 1.957 1.00 0.21 C ATOM 1079 C ALA A 569 4.203 -8.851 0.714 1.00 0.22 C ATOM 1080 O ALA A 569 3.778 -8.500 -0.384 1.00 0.24 O ATOM 1081 CB ALA A 569 5.129 -7.263 2.395 1.00 0.23 C ATOM 0 H ALA A 569 4.046 -8.892 3.858 1.00 0.19 H new ATOM 0 HA ALA A 569 3.099 -7.335 1.705 1.00 0.21 H new ATOM 0 HB1 ALA A 569 5.475 -6.634 1.575 1.00 0.23 H new ATOM 0 HB2 ALA A 569 4.881 -6.638 3.253 1.00 0.23 H new ATOM 0 HB3 ALA A 569 5.917 -7.963 2.672 1.00 0.23 H new ATOM 1087 N GLN A 570 4.908 -9.963 0.889 1.00 0.24 N ATOM 1088 CA GLN A 570 5.282 -10.792 -0.247 1.00 0.28 C ATOM 1089 C GLN A 570 4.056 -11.470 -0.846 1.00 0.27 C ATOM 1090 O GLN A 570 3.955 -11.621 -2.062 1.00 0.29 O ATOM 1091 CB GLN A 570 6.353 -11.824 0.126 1.00 0.34 C ATOM 1092 CG GLN A 570 5.979 -12.745 1.271 1.00 0.38 C ATOM 1093 CD GLN A 570 7.019 -13.823 1.502 1.00 0.51 C ATOM 1094 OE1 GLN A 570 7.685 -14.273 0.568 1.00 1.24 O ATOM 1095 NE2 GLN A 570 7.177 -14.232 2.745 1.00 1.04 N ATOM 0 H GLN A 570 5.228 -10.307 1.795 1.00 0.24 H new ATOM 0 HA GLN A 570 5.716 -10.136 -1.001 1.00 0.28 H new ATOM 0 HB2 GLN A 570 6.574 -12.431 -0.752 1.00 0.34 H new ATOM 0 HB3 GLN A 570 7.270 -11.296 0.388 1.00 0.34 H new ATOM 0 HG2 GLN A 570 5.858 -12.159 2.182 1.00 0.38 H new ATOM 0 HG3 GLN A 570 5.016 -13.211 1.061 1.00 0.38 H new ATOM 0 HE21 GLN A 570 6.605 -13.834 3.490 1.00 1.04 H new ATOM 0 HE22 GLN A 570 7.871 -14.947 2.962 1.00 1.04 H new ATOM 1104 N ALA A 571 3.119 -11.854 0.013 1.00 0.26 N ATOM 1105 CA ALA A 571 1.902 -12.517 -0.430 1.00 0.27 C ATOM 1106 C ALA A 571 1.061 -11.593 -1.298 1.00 0.25 C ATOM 1107 O ALA A 571 0.546 -12.003 -2.339 1.00 0.27 O ATOM 1108 CB ALA A 571 1.097 -12.993 0.766 1.00 0.31 C ATOM 0 H ALA A 571 3.181 -11.717 1.022 1.00 0.26 H new ATOM 0 HA ALA A 571 2.186 -13.381 -1.031 1.00 0.27 H new ATOM 0 HB1 ALA A 571 0.189 -13.487 0.420 1.00 0.31 H new ATOM 0 HB2 ALA A 571 1.693 -13.695 1.349 1.00 0.31 H new ATOM 0 HB3 ALA A 571 0.830 -12.139 1.388 1.00 0.31 H new ATOM 1114 N MET A 572 0.923 -10.342 -0.870 1.00 0.25 N ATOM 1115 CA MET A 572 0.125 -9.375 -1.613 1.00 0.28 C ATOM 1116 C MET A 572 0.789 -9.044 -2.940 1.00 0.24 C ATOM 1117 O MET A 572 0.120 -8.966 -3.966 1.00 0.24 O ATOM 1118 CB MET A 572 -0.104 -8.096 -0.805 1.00 0.37 C ATOM 1119 CG MET A 572 -0.706 -8.353 0.563 1.00 0.47 C ATOM 1120 SD MET A 572 -1.368 -6.869 1.332 1.00 0.36 S ATOM 1121 CE MET A 572 -1.277 -7.338 3.058 1.00 0.33 C ATOM 0 H MET A 572 1.350 -9.977 -0.019 1.00 0.25 H new ATOM 0 HA MET A 572 -0.847 -9.829 -1.805 1.00 0.28 H new ATOM 0 HB2 MET A 572 0.846 -7.575 -0.685 1.00 0.37 H new ATOM 0 HB3 MET A 572 -0.763 -7.433 -1.366 1.00 0.37 H new ATOM 0 HG2 MET A 572 -1.501 -9.093 0.470 1.00 0.47 H new ATOM 0 HG3 MET A 572 0.055 -8.783 1.213 1.00 0.47 H new ATOM 0 HE1 MET A 572 -1.305 -6.443 3.680 1.00 0.33 H new ATOM 0 HE2 MET A 572 -2.123 -7.979 3.306 1.00 0.33 H new ATOM 0 HE3 MET A 572 -0.348 -7.878 3.240 1.00 0.33 H new ATOM 1131 N VAL A 573 2.109 -8.883 -2.925 1.00 0.24 N ATOM 1132 CA VAL A 573 2.847 -8.610 -4.154 1.00 0.27 C ATOM 1133 C VAL A 573 2.621 -9.734 -5.160 1.00 0.25 C ATOM 1134 O VAL A 573 2.315 -9.480 -6.321 1.00 0.28 O ATOM 1135 CB VAL A 573 4.362 -8.441 -3.895 1.00 0.31 C ATOM 1136 CG1 VAL A 573 5.125 -8.288 -5.203 1.00 0.34 C ATOM 1137 CG2 VAL A 573 4.619 -7.243 -2.994 1.00 0.32 C ATOM 0 H VAL A 573 2.685 -8.936 -2.085 1.00 0.24 H new ATOM 0 HA VAL A 573 2.471 -7.670 -4.558 1.00 0.27 H new ATOM 0 HB VAL A 573 4.719 -9.340 -3.393 1.00 0.31 H new ATOM 0 HG11 VAL A 573 6.188 -8.171 -4.993 1.00 0.34 H new ATOM 0 HG12 VAL A 573 4.973 -9.174 -5.819 1.00 0.34 H new ATOM 0 HG13 VAL A 573 4.762 -7.409 -5.736 1.00 0.34 H new ATOM 0 HG21 VAL A 573 5.690 -7.140 -2.823 1.00 0.32 H new ATOM 0 HG22 VAL A 573 4.239 -6.340 -3.472 1.00 0.32 H new ATOM 0 HG23 VAL A 573 4.112 -7.389 -2.040 1.00 0.32 H new ATOM 1147 N GLN A 574 2.721 -10.973 -4.693 1.00 0.23 N ATOM 1148 CA GLN A 574 2.494 -12.131 -5.549 1.00 0.25 C ATOM 1149 C GLN A 574 1.076 -12.130 -6.103 1.00 0.23 C ATOM 1150 O GLN A 574 0.854 -12.451 -7.272 1.00 0.26 O ATOM 1151 CB GLN A 574 2.735 -13.427 -4.770 1.00 0.28 C ATOM 1152 CG GLN A 574 4.199 -13.707 -4.481 1.00 0.33 C ATOM 1153 CD GLN A 574 4.993 -14.044 -5.730 1.00 1.30 C ATOM 1154 OE1 GLN A 574 4.692 -13.571 -6.829 1.00 2.04 O ATOM 1155 NE2 GLN A 574 6.011 -14.869 -5.574 1.00 2.09 N ATOM 0 H GLN A 574 2.957 -11.201 -3.727 1.00 0.23 H new ATOM 0 HA GLN A 574 3.196 -12.073 -6.381 1.00 0.25 H new ATOM 0 HB2 GLN A 574 2.191 -13.379 -3.827 1.00 0.28 H new ATOM 0 HB3 GLN A 574 2.320 -14.262 -5.335 1.00 0.28 H new ATOM 0 HG2 GLN A 574 4.642 -12.836 -3.999 1.00 0.33 H new ATOM 0 HG3 GLN A 574 4.273 -14.534 -3.775 1.00 0.33 H new ATOM 0 HE21 GLN A 574 6.230 -15.240 -4.649 1.00 2.09 H new ATOM 0 HE22 GLN A 574 6.579 -15.136 -6.378 1.00 2.09 H new ATOM 1164 N TYR A 575 0.124 -11.762 -5.262 1.00 0.20 N ATOM 1165 CA TYR A 575 -1.274 -11.769 -5.660 1.00 0.20 C ATOM 1166 C TYR A 575 -1.546 -10.700 -6.711 1.00 0.20 C ATOM 1167 O TYR A 575 -2.068 -10.997 -7.775 1.00 0.22 O ATOM 1168 CB TYR A 575 -2.188 -11.559 -4.449 1.00 0.20 C ATOM 1169 CG TYR A 575 -3.657 -11.468 -4.802 1.00 0.22 C ATOM 1170 CD1 TYR A 575 -4.263 -10.234 -5.015 1.00 0.26 C ATOM 1171 CD2 TYR A 575 -4.439 -12.609 -4.927 1.00 0.33 C ATOM 1172 CE1 TYR A 575 -5.601 -10.142 -5.340 1.00 0.34 C ATOM 1173 CE2 TYR A 575 -5.779 -12.524 -5.251 1.00 0.40 C ATOM 1174 CZ TYR A 575 -6.355 -11.288 -5.457 1.00 0.39 C ATOM 1175 OH TYR A 575 -7.690 -11.196 -5.783 1.00 0.48 O ATOM 0 H TYR A 575 0.292 -11.456 -4.304 1.00 0.20 H new ATOM 0 HA TYR A 575 -1.490 -12.745 -6.094 1.00 0.20 H new ATOM 0 HB2 TYR A 575 -2.042 -12.381 -3.748 1.00 0.20 H new ATOM 0 HB3 TYR A 575 -1.890 -10.645 -3.935 1.00 0.20 H new ATOM 0 HD1 TYR A 575 -3.676 -9.332 -4.924 1.00 0.26 H new ATOM 0 HD2 TYR A 575 -3.992 -13.579 -4.768 1.00 0.33 H new ATOM 0 HE1 TYR A 575 -6.055 -9.175 -5.502 1.00 0.34 H new ATOM 0 HE2 TYR A 575 -6.373 -13.421 -5.343 1.00 0.40 H new ATOM 0 HH TYR A 575 -8.079 -12.095 -5.827 1.00 0.48 H new ATOM 1185 N TYR A 576 -1.164 -9.465 -6.413 1.00 0.21 N ATOM 1186 CA TYR A 576 -1.464 -8.333 -7.287 1.00 0.25 C ATOM 1187 C TYR A 576 -0.586 -8.296 -8.538 1.00 0.30 C ATOM 1188 O TYR A 576 -0.858 -7.538 -9.468 1.00 0.34 O ATOM 1189 CB TYR A 576 -1.391 -7.021 -6.503 1.00 0.28 C ATOM 1190 CG TYR A 576 -2.451 -6.946 -5.422 1.00 0.26 C ATOM 1191 CD1 TYR A 576 -3.771 -6.651 -5.737 1.00 0.32 C ATOM 1192 CD2 TYR A 576 -2.138 -7.202 -4.094 1.00 0.32 C ATOM 1193 CE1 TYR A 576 -4.746 -6.615 -4.759 1.00 0.31 C ATOM 1194 CE2 TYR A 576 -3.105 -7.162 -3.110 1.00 0.36 C ATOM 1195 CZ TYR A 576 -4.408 -6.870 -3.446 1.00 0.29 C ATOM 1196 OH TYR A 576 -5.376 -6.846 -2.469 1.00 0.35 O ATOM 0 H TYR A 576 -0.644 -9.219 -5.571 1.00 0.21 H new ATOM 0 HA TYR A 576 -2.484 -8.465 -7.647 1.00 0.25 H new ATOM 0 HB2 TYR A 576 -0.404 -6.923 -6.051 1.00 0.28 H new ATOM 0 HB3 TYR A 576 -1.512 -6.182 -7.188 1.00 0.28 H new ATOM 0 HD1 TYR A 576 -4.040 -6.446 -6.763 1.00 0.32 H new ATOM 0 HD2 TYR A 576 -1.119 -7.437 -3.826 1.00 0.32 H new ATOM 0 HE1 TYR A 576 -5.769 -6.388 -5.021 1.00 0.31 H new ATOM 0 HE2 TYR A 576 -2.841 -7.359 -2.081 1.00 0.36 H new ATOM 0 HH TYR A 576 -4.964 -6.632 -1.606 1.00 0.35 H new ATOM 1206 N GLN A 577 0.470 -9.093 -8.560 1.00 0.31 N ATOM 1207 CA GLN A 577 1.244 -9.255 -9.786 1.00 0.38 C ATOM 1208 C GLN A 577 0.480 -10.122 -10.779 1.00 0.37 C ATOM 1209 O GLN A 577 0.447 -9.832 -11.976 1.00 0.42 O ATOM 1210 CB GLN A 577 2.632 -9.844 -9.519 1.00 0.45 C ATOM 1211 CG GLN A 577 3.620 -8.857 -8.913 1.00 0.52 C ATOM 1212 CD GLN A 577 3.988 -7.721 -9.857 1.00 1.04 C ATOM 1213 OE1 GLN A 577 3.185 -7.288 -10.687 1.00 1.89 O ATOM 1214 NE2 GLN A 577 5.215 -7.236 -9.743 1.00 1.57 N ATOM 0 H GLN A 577 0.808 -9.630 -7.761 1.00 0.31 H new ATOM 0 HA GLN A 577 1.392 -8.263 -10.213 1.00 0.38 H new ATOM 0 HB2 GLN A 577 2.530 -10.697 -8.849 1.00 0.45 H new ATOM 0 HB3 GLN A 577 3.041 -10.222 -10.456 1.00 0.45 H new ATOM 0 HG2 GLN A 577 3.193 -8.439 -8.001 1.00 0.52 H new ATOM 0 HG3 GLN A 577 4.526 -9.390 -8.626 1.00 0.52 H new ATOM 0 HE21 GLN A 577 5.852 -7.619 -9.045 1.00 1.57 H new ATOM 0 HE22 GLN A 577 5.523 -6.479 -10.354 1.00 1.57 H new ATOM 1223 N GLU A 578 -0.144 -11.182 -10.278 1.00 0.35 N ATOM 1224 CA GLU A 578 -0.919 -12.077 -11.129 1.00 0.38 C ATOM 1225 C GLU A 578 -2.362 -11.591 -11.279 1.00 0.33 C ATOM 1226 O GLU A 578 -2.951 -11.694 -12.354 1.00 0.36 O ATOM 1227 CB GLU A 578 -0.889 -13.499 -10.562 1.00 0.42 C ATOM 1228 CG GLU A 578 0.493 -14.132 -10.600 1.00 0.52 C ATOM 1229 CD GLU A 578 0.528 -15.515 -9.982 1.00 1.24 C ATOM 1230 OE1 GLU A 578 1.197 -15.692 -8.939 1.00 2.14 O ATOM 1231 OE2 GLU A 578 -0.126 -16.431 -10.524 1.00 1.31 O ATOM 0 H GLU A 578 -0.129 -11.442 -9.292 1.00 0.35 H new ATOM 0 HA GLU A 578 -0.465 -12.080 -12.120 1.00 0.38 H new ATOM 0 HB2 GLU A 578 -1.244 -13.480 -9.532 1.00 0.42 H new ATOM 0 HB3 GLU A 578 -1.582 -14.123 -11.126 1.00 0.42 H new ATOM 0 HG2 GLU A 578 0.830 -14.194 -11.635 1.00 0.52 H new ATOM 0 HG3 GLU A 578 1.197 -13.487 -10.074 1.00 0.52 H new ATOM 1238 N LYS A 579 -2.927 -11.056 -10.205 1.00 0.29 N ATOM 1239 CA LYS A 579 -4.272 -10.495 -10.233 1.00 0.28 C ATOM 1240 C LYS A 579 -4.290 -9.126 -9.548 1.00 0.25 C ATOM 1241 O LYS A 579 -4.580 -9.022 -8.356 1.00 0.24 O ATOM 1242 CB LYS A 579 -5.260 -11.437 -9.533 1.00 0.31 C ATOM 1243 CG LYS A 579 -5.398 -12.798 -10.198 1.00 0.42 C ATOM 1244 CD LYS A 579 -6.427 -13.660 -9.484 1.00 0.69 C ATOM 1245 CE LYS A 579 -6.583 -15.015 -10.155 1.00 1.69 C ATOM 1246 NZ LYS A 579 -7.620 -15.852 -9.493 1.00 2.46 N ATOM 0 H LYS A 579 -2.470 -10.998 -9.295 1.00 0.29 H new ATOM 0 HA LYS A 579 -4.573 -10.377 -11.274 1.00 0.28 H new ATOM 0 HB2 LYS A 579 -4.940 -11.580 -8.501 1.00 0.31 H new ATOM 0 HB3 LYS A 579 -6.239 -10.960 -9.500 1.00 0.31 H new ATOM 0 HG2 LYS A 579 -5.690 -12.668 -11.240 1.00 0.42 H new ATOM 0 HG3 LYS A 579 -4.433 -13.305 -10.198 1.00 0.42 H new ATOM 0 HD2 LYS A 579 -6.128 -13.800 -8.445 1.00 0.69 H new ATOM 0 HD3 LYS A 579 -7.388 -13.146 -9.472 1.00 0.69 H new ATOM 0 HE2 LYS A 579 -6.848 -14.872 -11.203 1.00 1.69 H new ATOM 0 HE3 LYS A 579 -5.628 -15.540 -10.137 1.00 1.69 H new ATOM 0 HZ1 LYS A 579 -7.693 -16.766 -9.983 1.00 2.46 H new ATOM 0 HZ2 LYS A 579 -7.356 -16.011 -8.500 1.00 2.46 H new ATOM 0 HZ3 LYS A 579 -8.537 -15.364 -9.533 1.00 2.46 H new ATOM 1260 N PRO A 580 -3.964 -8.061 -10.294 1.00 0.26 N ATOM 1261 CA PRO A 580 -3.935 -6.689 -9.767 1.00 0.25 C ATOM 1262 C PRO A 580 -5.328 -6.145 -9.459 1.00 0.22 C ATOM 1263 O PRO A 580 -6.337 -6.666 -9.946 1.00 0.22 O ATOM 1264 CB PRO A 580 -3.286 -5.886 -10.894 1.00 0.27 C ATOM 1265 CG PRO A 580 -3.576 -6.661 -12.129 1.00 0.37 C ATOM 1266 CD PRO A 580 -3.590 -8.108 -11.720 1.00 0.32 C ATOM 0 HA PRO A 580 -3.398 -6.634 -8.820 1.00 0.25 H new ATOM 0 HB2 PRO A 580 -3.701 -4.880 -10.952 1.00 0.27 H new ATOM 0 HB3 PRO A 580 -2.213 -5.780 -10.737 1.00 0.27 H new ATOM 0 HG2 PRO A 580 -4.535 -6.368 -12.557 1.00 0.37 H new ATOM 0 HG3 PRO A 580 -2.818 -6.479 -12.891 1.00 0.37 H new ATOM 0 HD2 PRO A 580 -4.308 -8.683 -12.304 1.00 0.32 H new ATOM 0 HD3 PRO A 580 -2.616 -8.575 -11.864 1.00 0.32 H new ATOM 1274 N ALA A 581 -5.377 -5.092 -8.651 1.00 0.22 N ATOM 1275 CA ALA A 581 -6.641 -4.488 -8.257 1.00 0.22 C ATOM 1276 C ALA A 581 -7.002 -3.353 -9.202 1.00 0.20 C ATOM 1277 O ALA A 581 -6.142 -2.569 -9.588 1.00 0.19 O ATOM 1278 CB ALA A 581 -6.552 -3.964 -6.835 1.00 0.27 C ATOM 0 H ALA A 581 -4.553 -4.639 -8.256 1.00 0.22 H new ATOM 0 HA ALA A 581 -7.418 -5.251 -8.307 1.00 0.22 H new ATOM 0 HB1 ALA A 581 -7.504 -3.515 -6.553 1.00 0.27 H new ATOM 0 HB2 ALA A 581 -6.324 -4.787 -6.158 1.00 0.27 H new ATOM 0 HB3 ALA A 581 -5.764 -3.214 -6.772 1.00 0.27 H new ATOM 1284 N ILE A 582 -8.265 -3.276 -9.579 1.00 0.23 N ATOM 1285 CA ILE A 582 -8.712 -2.265 -10.526 1.00 0.26 C ATOM 1286 C ILE A 582 -9.351 -1.082 -9.806 1.00 0.28 C ATOM 1287 O ILE A 582 -10.313 -1.243 -9.053 1.00 0.33 O ATOM 1288 CB ILE A 582 -9.722 -2.852 -11.537 1.00 0.35 C ATOM 1289 CG1 ILE A 582 -9.110 -4.063 -12.250 1.00 0.39 C ATOM 1290 CG2 ILE A 582 -10.143 -1.793 -12.549 1.00 0.39 C ATOM 1291 CD1 ILE A 582 -10.075 -4.783 -13.169 1.00 0.51 C ATOM 0 H ILE A 582 -9.000 -3.899 -9.246 1.00 0.23 H new ATOM 0 HA ILE A 582 -7.830 -1.921 -11.066 1.00 0.26 H new ATOM 0 HB ILE A 582 -10.610 -3.177 -10.994 1.00 0.35 H new ATOM 0 HG12 ILE A 582 -8.248 -3.734 -12.830 1.00 0.39 H new ATOM 0 HG13 ILE A 582 -8.742 -4.766 -11.502 1.00 0.39 H new ATOM 0 HG21 ILE A 582 -10.854 -2.225 -13.253 1.00 0.39 H new ATOM 0 HG22 ILE A 582 -10.610 -0.957 -12.028 1.00 0.39 H new ATOM 0 HG23 ILE A 582 -9.266 -1.439 -13.091 1.00 0.39 H new ATOM 0 HD11 ILE A 582 -9.570 -5.628 -13.637 1.00 0.51 H new ATOM 0 HD12 ILE A 582 -10.926 -5.144 -12.592 1.00 0.51 H new ATOM 0 HD13 ILE A 582 -10.424 -4.096 -13.940 1.00 0.51 H new ATOM 1303 N ILE A 583 -8.798 0.103 -10.031 1.00 0.28 N ATOM 1304 CA ILE A 583 -9.358 1.335 -9.495 1.00 0.33 C ATOM 1305 C ILE A 583 -9.565 2.342 -10.618 1.00 0.36 C ATOM 1306 O ILE A 583 -8.601 2.821 -11.214 1.00 0.35 O ATOM 1307 CB ILE A 583 -8.448 1.957 -8.413 1.00 0.32 C ATOM 1308 CG1 ILE A 583 -8.416 1.088 -7.153 1.00 0.32 C ATOM 1309 CG2 ILE A 583 -8.900 3.369 -8.076 1.00 0.38 C ATOM 1310 CD1 ILE A 583 -9.746 0.986 -6.440 1.00 0.51 C ATOM 0 H ILE A 583 -7.953 0.236 -10.587 1.00 0.28 H new ATOM 0 HA ILE A 583 -10.313 1.087 -9.033 1.00 0.33 H new ATOM 0 HB ILE A 583 -7.436 2.006 -8.815 1.00 0.32 H new ATOM 0 HG12 ILE A 583 -8.083 0.086 -7.424 1.00 0.32 H new ATOM 0 HG13 ILE A 583 -7.676 1.494 -6.463 1.00 0.32 H new ATOM 0 HG21 ILE A 583 -8.245 3.788 -7.312 1.00 0.38 H new ATOM 0 HG22 ILE A 583 -8.856 3.989 -8.972 1.00 0.38 H new ATOM 0 HG23 ILE A 583 -9.924 3.344 -7.703 1.00 0.38 H new ATOM 0 HD11 ILE A 583 -9.639 0.354 -5.559 1.00 0.51 H new ATOM 0 HD12 ILE A 583 -10.073 1.980 -6.136 1.00 0.51 H new ATOM 0 HD13 ILE A 583 -10.486 0.550 -7.111 1.00 0.51 H new ATOM 1322 N ASN A 584 -10.830 2.637 -10.916 1.00 0.41 N ATOM 1323 CA ASN A 584 -11.189 3.579 -11.979 1.00 0.47 C ATOM 1324 C ASN A 584 -10.531 3.193 -13.296 1.00 0.45 C ATOM 1325 O ASN A 584 -10.050 4.042 -14.048 1.00 0.50 O ATOM 1326 CB ASN A 584 -10.846 5.024 -11.601 1.00 0.55 C ATOM 1327 CG ASN A 584 -11.746 5.570 -10.508 1.00 0.62 C ATOM 1328 OD1 ASN A 584 -12.821 6.101 -10.784 1.00 1.10 O ATOM 1329 ND2 ASN A 584 -11.315 5.456 -9.263 1.00 0.91 N ATOM 0 H ASN A 584 -11.632 2.233 -10.431 1.00 0.41 H new ATOM 0 HA ASN A 584 -12.270 3.523 -12.107 1.00 0.47 H new ATOM 0 HB2 ASN A 584 -9.808 5.073 -11.270 1.00 0.55 H new ATOM 0 HB3 ASN A 584 -10.929 5.656 -12.485 1.00 0.55 H new ATOM 0 HD21 ASN A 584 -11.880 5.815 -8.493 1.00 0.91 H new ATOM 0 HD22 ASN A 584 -10.418 5.009 -9.073 1.00 0.91 H new ATOM 1336 N GLY A 585 -10.502 1.894 -13.546 1.00 0.42 N ATOM 1337 CA GLY A 585 -10.005 1.376 -14.800 1.00 0.44 C ATOM 1338 C GLY A 585 -8.498 1.202 -14.840 1.00 0.39 C ATOM 1339 O GLY A 585 -7.955 0.765 -15.854 1.00 0.42 O ATOM 0 H GLY A 585 -10.820 1.180 -12.890 1.00 0.42 H new ATOM 0 HA2 GLY A 585 -10.477 0.414 -14.997 1.00 0.44 H new ATOM 0 HA3 GLY A 585 -10.305 2.048 -15.604 1.00 0.44 H new ATOM 1343 N GLU A 586 -7.820 1.532 -13.751 1.00 0.35 N ATOM 1344 CA GLU A 586 -6.371 1.401 -13.698 1.00 0.32 C ATOM 1345 C GLU A 586 -5.954 0.347 -12.676 1.00 0.24 C ATOM 1346 O GLU A 586 -6.404 0.364 -11.530 1.00 0.26 O ATOM 1347 CB GLU A 586 -5.730 2.753 -13.378 1.00 0.43 C ATOM 1348 CG GLU A 586 -5.999 3.807 -14.443 1.00 0.57 C ATOM 1349 CD GLU A 586 -5.266 5.107 -14.192 1.00 0.91 C ATOM 1350 OE1 GLU A 586 -4.089 5.223 -14.595 1.00 0.90 O ATOM 1351 OE2 GLU A 586 -5.856 6.019 -13.579 1.00 1.79 O ATOM 0 H GLU A 586 -8.246 1.890 -12.897 1.00 0.35 H new ATOM 0 HA GLU A 586 -6.019 1.072 -14.676 1.00 0.32 H new ATOM 0 HB2 GLU A 586 -6.106 3.109 -12.419 1.00 0.43 H new ATOM 0 HB3 GLU A 586 -4.653 2.622 -13.269 1.00 0.43 H new ATOM 0 HG2 GLU A 586 -5.706 3.414 -15.416 1.00 0.57 H new ATOM 0 HG3 GLU A 586 -7.070 4.004 -14.488 1.00 0.57 H new ATOM 1358 N LYS A 587 -5.127 -0.594 -13.122 1.00 0.21 N ATOM 1359 CA LYS A 587 -4.628 -1.667 -12.267 1.00 0.19 C ATOM 1360 C LYS A 587 -3.585 -1.151 -11.281 1.00 0.17 C ATOM 1361 O LYS A 587 -2.634 -0.470 -11.669 1.00 0.22 O ATOM 1362 CB LYS A 587 -4.020 -2.780 -13.122 1.00 0.23 C ATOM 1363 CG LYS A 587 -5.001 -3.402 -14.102 1.00 0.33 C ATOM 1364 CD LYS A 587 -4.330 -4.432 -14.998 1.00 1.14 C ATOM 1365 CE LYS A 587 -5.299 -4.980 -16.035 1.00 1.10 C ATOM 1366 NZ LYS A 587 -4.662 -5.984 -16.929 1.00 1.67 N ATOM 0 H LYS A 587 -4.785 -0.635 -14.082 1.00 0.21 H new ATOM 0 HA LYS A 587 -5.471 -2.061 -11.699 1.00 0.19 H new ATOM 0 HB2 LYS A 587 -3.172 -2.378 -13.676 1.00 0.23 H new ATOM 0 HB3 LYS A 587 -3.632 -3.559 -12.466 1.00 0.23 H new ATOM 0 HG2 LYS A 587 -5.814 -3.875 -13.551 1.00 0.33 H new ATOM 0 HG3 LYS A 587 -5.445 -2.620 -14.717 1.00 0.33 H new ATOM 0 HD2 LYS A 587 -3.475 -3.978 -15.500 1.00 1.14 H new ATOM 0 HD3 LYS A 587 -3.945 -5.250 -14.389 1.00 1.14 H new ATOM 0 HE2 LYS A 587 -6.150 -5.436 -15.529 1.00 1.10 H new ATOM 0 HE3 LYS A 587 -5.688 -4.158 -16.635 1.00 1.10 H new ATOM 0 HZ1 LYS A 587 -5.361 -6.328 -17.618 1.00 1.67 H new ATOM 0 HZ2 LYS A 587 -3.866 -5.544 -17.433 1.00 1.67 H new ATOM 0 HZ3 LYS A 587 -4.313 -6.783 -16.361 1.00 1.67 H new ATOM 1380 N LEU A 588 -3.769 -1.486 -10.012 1.00 0.15 N ATOM 1381 CA LEU A 588 -2.854 -1.073 -8.960 1.00 0.15 C ATOM 1382 C LEU A 588 -1.688 -2.041 -8.840 1.00 0.17 C ATOM 1383 O LEU A 588 -1.861 -3.255 -8.953 1.00 0.21 O ATOM 1384 CB LEU A 588 -3.574 -0.997 -7.614 1.00 0.16 C ATOM 1385 CG LEU A 588 -4.811 -0.103 -7.573 1.00 0.18 C ATOM 1386 CD1 LEU A 588 -5.296 0.053 -6.143 1.00 0.24 C ATOM 1387 CD2 LEU A 588 -4.521 1.251 -8.190 1.00 0.16 C ATOM 0 H LEU A 588 -4.554 -2.049 -9.684 1.00 0.15 H new ATOM 0 HA LEU A 588 -2.476 -0.086 -9.228 1.00 0.15 H new ATOM 0 HB2 LEU A 588 -3.868 -2.005 -7.323 1.00 0.16 H new ATOM 0 HB3 LEU A 588 -2.867 -0.642 -6.864 1.00 0.16 H new ATOM 0 HG LEU A 588 -5.598 -0.577 -8.160 1.00 0.18 H new ATOM 0 HD11 LEU A 588 -6.179 0.693 -6.126 1.00 0.24 H new ATOM 0 HD12 LEU A 588 -5.549 -0.926 -5.736 1.00 0.24 H new ATOM 0 HD13 LEU A 588 -4.509 0.505 -5.539 1.00 0.24 H new ATOM 0 HD21 LEU A 588 -5.418 1.869 -8.149 1.00 0.16 H new ATOM 0 HD22 LEU A 588 -3.718 1.739 -7.637 1.00 0.16 H new ATOM 0 HD23 LEU A 588 -4.218 1.120 -9.229 1.00 0.16 H new ATOM 1399 N LEU A 589 -0.509 -1.495 -8.598 1.00 0.17 N ATOM 1400 CA LEU A 589 0.683 -2.307 -8.422 1.00 0.19 C ATOM 1401 C LEU A 589 1.185 -2.214 -6.984 1.00 0.18 C ATOM 1402 O LEU A 589 1.626 -1.150 -6.542 1.00 0.18 O ATOM 1403 CB LEU A 589 1.781 -1.871 -9.396 1.00 0.23 C ATOM 1404 CG LEU A 589 3.071 -2.690 -9.328 1.00 0.30 C ATOM 1405 CD1 LEU A 589 2.801 -4.136 -9.699 1.00 0.37 C ATOM 1406 CD2 LEU A 589 4.129 -2.100 -10.244 1.00 0.38 C ATOM 0 H LEU A 589 -0.351 -0.490 -8.519 1.00 0.17 H new ATOM 0 HA LEU A 589 0.424 -3.344 -8.634 1.00 0.19 H new ATOM 0 HB2 LEU A 589 1.387 -1.925 -10.411 1.00 0.23 H new ATOM 0 HB3 LEU A 589 2.022 -0.826 -9.203 1.00 0.23 H new ATOM 0 HG LEU A 589 3.444 -2.656 -8.304 1.00 0.30 H new ATOM 0 HD11 LEU A 589 3.729 -4.705 -9.646 1.00 0.37 H new ATOM 0 HD12 LEU A 589 2.075 -4.560 -9.005 1.00 0.37 H new ATOM 0 HD13 LEU A 589 2.404 -4.183 -10.713 1.00 0.37 H new ATOM 0 HD21 LEU A 589 5.039 -2.697 -10.181 1.00 0.38 H new ATOM 0 HD22 LEU A 589 3.764 -2.103 -11.271 1.00 0.38 H new ATOM 0 HD23 LEU A 589 4.345 -1.076 -9.938 1.00 0.38 H new ATOM 1418 N ILE A 590 1.095 -3.317 -6.253 1.00 0.18 N ATOM 1419 CA ILE A 590 1.635 -3.382 -4.900 1.00 0.18 C ATOM 1420 C ILE A 590 2.991 -4.082 -4.915 1.00 0.20 C ATOM 1421 O ILE A 590 3.096 -5.238 -5.322 1.00 0.26 O ATOM 1422 CB ILE A 590 0.680 -4.127 -3.935 1.00 0.19 C ATOM 1423 CG1 ILE A 590 -0.681 -3.422 -3.882 1.00 0.19 C ATOM 1424 CG2 ILE A 590 1.294 -4.226 -2.543 1.00 0.19 C ATOM 1425 CD1 ILE A 590 -1.625 -3.969 -2.829 1.00 0.21 C ATOM 0 H ILE A 590 0.654 -4.179 -6.573 1.00 0.18 H new ATOM 0 HA ILE A 590 1.747 -2.359 -4.541 1.00 0.18 H new ATOM 0 HB ILE A 590 0.527 -5.139 -4.310 1.00 0.19 H new ATOM 0 HG12 ILE A 590 -0.520 -2.361 -3.693 1.00 0.19 H new ATOM 0 HG13 ILE A 590 -1.158 -3.504 -4.859 1.00 0.19 H new ATOM 0 HG21 ILE A 590 0.608 -4.753 -1.879 1.00 0.19 H new ATOM 0 HG22 ILE A 590 2.236 -4.772 -2.599 1.00 0.19 H new ATOM 0 HG23 ILE A 590 1.478 -3.224 -2.154 1.00 0.19 H new ATOM 0 HD11 ILE A 590 -2.563 -3.415 -2.859 1.00 0.21 H new ATOM 0 HD12 ILE A 590 -1.819 -5.023 -3.027 1.00 0.21 H new ATOM 0 HD13 ILE A 590 -1.172 -3.862 -1.843 1.00 0.21 H new ATOM 1437 N ARG A 591 4.022 -3.374 -4.470 1.00 0.18 N ATOM 1438 CA ARG A 591 5.387 -3.888 -4.493 1.00 0.22 C ATOM 1439 C ARG A 591 6.177 -3.344 -3.311 1.00 0.18 C ATOM 1440 O ARG A 591 5.759 -2.392 -2.659 1.00 0.19 O ATOM 1441 CB ARG A 591 6.090 -3.512 -5.799 1.00 0.33 C ATOM 1442 CG ARG A 591 5.699 -4.382 -6.983 1.00 0.45 C ATOM 1443 CD ARG A 591 6.586 -4.109 -8.184 1.00 0.65 C ATOM 1444 NE ARG A 591 8.001 -4.302 -7.865 1.00 1.33 N ATOM 1445 CZ ARG A 591 8.991 -4.180 -8.749 1.00 1.69 C ATOM 1446 NH1 ARG A 591 8.723 -3.921 -10.022 1.00 1.56 N ATOM 1447 NH2 ARG A 591 10.247 -4.341 -8.360 1.00 2.62 N ATOM 0 H ARG A 591 3.937 -2.433 -4.085 1.00 0.18 H new ATOM 0 HA ARG A 591 5.338 -4.975 -4.423 1.00 0.22 H new ATOM 0 HB2 ARG A 591 5.864 -2.472 -6.035 1.00 0.33 H new ATOM 0 HB3 ARG A 591 7.168 -3.579 -5.652 1.00 0.33 H new ATOM 0 HG2 ARG A 591 5.773 -5.433 -6.705 1.00 0.45 H new ATOM 0 HG3 ARG A 591 4.658 -4.195 -7.247 1.00 0.45 H new ATOM 0 HD2 ARG A 591 6.304 -4.771 -9.003 1.00 0.65 H new ATOM 0 HD3 ARG A 591 6.427 -3.088 -8.530 1.00 0.65 H new ATOM 0 HE ARG A 591 8.245 -4.545 -6.905 1.00 1.33 H new ATOM 0 HH11 ARG A 591 7.756 -3.814 -10.328 1.00 1.56 H new ATOM 0 HH12 ARG A 591 9.484 -3.828 -10.695 1.00 1.56 H new ATOM 0 HH21 ARG A 591 10.455 -4.558 -7.385 1.00 2.62 H new ATOM 0 HH22 ARG A 591 11.006 -4.248 -9.035 1.00 2.62 H new ATOM 1461 N MET A 592 7.319 -3.950 -3.038 1.00 0.17 N ATOM 1462 CA MET A 592 8.161 -3.508 -1.939 1.00 0.18 C ATOM 1463 C MET A 592 9.029 -2.344 -2.393 1.00 0.21 C ATOM 1464 O MET A 592 9.537 -2.345 -3.513 1.00 0.29 O ATOM 1465 CB MET A 592 9.037 -4.650 -1.426 1.00 0.19 C ATOM 1466 CG MET A 592 8.253 -5.847 -0.921 1.00 0.22 C ATOM 1467 SD MET A 592 9.294 -7.026 -0.041 1.00 0.29 S ATOM 1468 CE MET A 592 8.115 -8.331 0.291 1.00 0.34 C ATOM 0 H MET A 592 7.684 -4.747 -3.560 1.00 0.17 H new ATOM 0 HA MET A 592 7.519 -3.182 -1.121 1.00 0.18 H new ATOM 0 HB2 MET A 592 9.700 -4.974 -2.228 1.00 0.19 H new ATOM 0 HB3 MET A 592 9.669 -4.276 -0.621 1.00 0.19 H new ATOM 0 HG2 MET A 592 7.457 -5.504 -0.260 1.00 0.22 H new ATOM 0 HG3 MET A 592 7.774 -6.347 -1.763 1.00 0.22 H new ATOM 0 HE1 MET A 592 8.407 -8.864 1.196 1.00 0.34 H new ATOM 0 HE2 MET A 592 7.124 -7.899 0.428 1.00 0.34 H new ATOM 0 HE3 MET A 592 8.095 -9.026 -0.549 1.00 0.34 H new ATOM 1478 N SER A 593 9.194 -1.347 -1.534 1.00 0.23 N ATOM 1479 CA SER A 593 9.980 -0.174 -1.889 1.00 0.26 C ATOM 1480 C SER A 593 11.469 -0.464 -1.782 1.00 0.25 C ATOM 1481 O SER A 593 11.926 -1.141 -0.859 1.00 0.27 O ATOM 1482 CB SER A 593 9.620 1.013 -0.998 1.00 0.34 C ATOM 1483 OG SER A 593 10.347 2.175 -1.366 1.00 1.37 O ATOM 0 H SER A 593 8.798 -1.327 -0.594 1.00 0.23 H new ATOM 0 HA SER A 593 9.745 0.078 -2.923 1.00 0.26 H new ATOM 0 HB2 SER A 593 8.551 1.213 -1.070 1.00 0.34 H new ATOM 0 HB3 SER A 593 9.829 0.765 0.043 1.00 0.34 H new ATOM 0 HG SER A 593 10.094 2.918 -0.780 1.00 1.37 H new ATOM 1489 N THR A 594 12.206 0.058 -2.739 1.00 0.27 N ATOM 1490 CA THR A 594 13.639 -0.134 -2.808 1.00 0.30 C ATOM 1491 C THR A 594 14.388 0.963 -2.052 1.00 0.31 C ATOM 1492 O THR A 594 15.580 0.836 -1.778 1.00 0.33 O ATOM 1493 CB THR A 594 14.095 -0.151 -4.275 1.00 0.35 C ATOM 1494 OG1 THR A 594 13.528 0.973 -4.962 1.00 0.38 O ATOM 1495 CG2 THR A 594 13.667 -1.440 -4.962 1.00 0.38 C ATOM 0 H THR A 594 11.827 0.630 -3.494 1.00 0.27 H new ATOM 0 HA THR A 594 13.870 -1.090 -2.338 1.00 0.30 H new ATOM 0 HB THR A 594 15.183 -0.093 -4.302 1.00 0.35 H new ATOM 0 HG1 THR A 594 13.819 0.965 -5.898 1.00 0.38 H new ATOM 0 HG21 THR A 594 14.002 -1.428 -5.999 1.00 0.38 H new ATOM 0 HG22 THR A 594 14.112 -2.292 -4.447 1.00 0.38 H new ATOM 0 HG23 THR A 594 12.581 -1.525 -4.932 1.00 0.38 H new ATOM 1503 N ARG A 595 13.673 2.030 -1.698 1.00 0.32 N ATOM 1504 CA ARG A 595 14.315 3.234 -1.174 1.00 0.37 C ATOM 1505 C ARG A 595 14.212 3.354 0.348 1.00 0.37 C ATOM 1506 O ARG A 595 15.059 3.990 0.981 1.00 0.41 O ATOM 1507 CB ARG A 595 13.709 4.475 -1.828 1.00 0.41 C ATOM 1508 CG ARG A 595 13.863 4.498 -3.336 1.00 0.46 C ATOM 1509 CD ARG A 595 13.254 5.751 -3.941 1.00 0.56 C ATOM 1510 NE ARG A 595 13.340 5.747 -5.398 1.00 1.36 N ATOM 1511 CZ ARG A 595 12.859 6.712 -6.181 1.00 1.67 C ATOM 1512 NH1 ARG A 595 12.303 7.796 -5.645 1.00 1.16 N ATOM 1513 NH2 ARG A 595 12.957 6.598 -7.500 1.00 2.75 N ATOM 0 H ARG A 595 12.657 2.085 -1.764 1.00 0.32 H new ATOM 0 HA ARG A 595 15.374 3.156 -1.418 1.00 0.37 H new ATOM 0 HB2 ARG A 595 12.649 4.528 -1.578 1.00 0.41 H new ATOM 0 HB3 ARG A 595 14.180 5.364 -1.409 1.00 0.41 H new ATOM 0 HG2 ARG A 595 14.920 4.445 -3.595 1.00 0.46 H new ATOM 0 HG3 ARG A 595 13.385 3.617 -3.765 1.00 0.46 H new ATOM 0 HD2 ARG A 595 12.210 5.830 -3.639 1.00 0.56 H new ATOM 0 HD3 ARG A 595 13.766 6.630 -3.549 1.00 0.56 H new ATOM 0 HE ARG A 595 13.798 4.954 -5.846 1.00 1.36 H new ATOM 0 HH11 ARG A 595 12.244 7.891 -4.631 1.00 1.16 H new ATOM 0 HH12 ARG A 595 11.936 8.532 -6.248 1.00 1.16 H new ATOM 0 HH21 ARG A 595 13.399 5.775 -7.909 1.00 2.75 H new ATOM 0 HH22 ARG A 595 12.591 7.334 -8.104 1.00 2.75 H new ATOM 1527 N TYR A 596 13.176 2.774 0.939 1.00 0.35 N ATOM 1528 CA TYR A 596 12.951 2.931 2.375 1.00 0.37 C ATOM 1529 C TYR A 596 12.744 1.596 3.080 1.00 0.35 C ATOM 1530 O TYR A 596 12.225 0.641 2.497 1.00 0.36 O ATOM 1531 CB TYR A 596 11.751 3.848 2.627 1.00 0.39 C ATOM 1532 CG TYR A 596 11.967 5.263 2.140 1.00 0.43 C ATOM 1533 CD1 TYR A 596 11.541 5.653 0.878 1.00 0.48 C ATOM 1534 CD2 TYR A 596 12.609 6.202 2.936 1.00 0.54 C ATOM 1535 CE1 TYR A 596 11.750 6.939 0.423 1.00 0.54 C ATOM 1536 CE2 TYR A 596 12.818 7.492 2.488 1.00 0.61 C ATOM 1537 CZ TYR A 596 12.387 7.854 1.231 1.00 0.56 C ATOM 1538 OH TYR A 596 12.601 9.134 0.776 1.00 0.65 O ATOM 0 H TYR A 596 12.486 2.198 0.457 1.00 0.35 H new ATOM 0 HA TYR A 596 13.851 3.383 2.792 1.00 0.37 H new ATOM 0 HB2 TYR A 596 10.874 3.431 2.133 1.00 0.39 H new ATOM 0 HB3 TYR A 596 11.536 3.868 3.695 1.00 0.39 H new ATOM 0 HD1 TYR A 596 11.038 4.939 0.242 1.00 0.48 H new ATOM 0 HD2 TYR A 596 12.950 5.920 3.921 1.00 0.54 H new ATOM 0 HE1 TYR A 596 11.415 7.227 -0.563 1.00 0.54 H new ATOM 0 HE2 TYR A 596 13.316 8.212 3.120 1.00 0.61 H new ATOM 0 HH TYR A 596 13.061 9.654 1.467 1.00 0.65 H new ATOM 1548 N LYS A 597 13.177 1.543 4.337 1.00 0.38 N ATOM 1549 CA LYS A 597 12.989 0.368 5.178 1.00 0.41 C ATOM 1550 C LYS A 597 11.957 0.620 6.270 1.00 0.41 C ATOM 1551 O LYS A 597 11.549 -0.311 6.957 1.00 0.48 O ATOM 1552 CB LYS A 597 14.306 -0.083 5.826 1.00 0.50 C ATOM 1553 CG LYS A 597 15.300 -0.699 4.853 1.00 0.62 C ATOM 1554 CD LYS A 597 16.050 0.353 4.054 1.00 1.29 C ATOM 1555 CE LYS A 597 16.852 -0.289 2.940 1.00 1.67 C ATOM 1556 NZ LYS A 597 17.771 0.675 2.278 1.00 2.18 N ATOM 0 H LYS A 597 13.666 2.310 4.798 1.00 0.38 H new ATOM 0 HA LYS A 597 12.628 -0.424 4.522 1.00 0.41 H new ATOM 0 HB2 LYS A 597 14.772 0.775 6.310 1.00 0.50 H new ATOM 0 HB3 LYS A 597 14.083 -0.808 6.609 1.00 0.50 H new ATOM 0 HG2 LYS A 597 16.014 -1.311 5.405 1.00 0.62 H new ATOM 0 HG3 LYS A 597 14.772 -1.364 4.169 1.00 0.62 H new ATOM 0 HD2 LYS A 597 15.344 1.069 3.634 1.00 1.29 H new ATOM 0 HD3 LYS A 597 16.716 0.911 4.713 1.00 1.29 H new ATOM 0 HE2 LYS A 597 17.430 -1.120 3.344 1.00 1.67 H new ATOM 0 HE3 LYS A 597 16.171 -0.706 2.198 1.00 1.67 H new ATOM 0 HZ1 LYS A 597 18.298 0.190 1.524 1.00 2.18 H new ATOM 0 HZ2 LYS A 597 17.219 1.456 1.868 1.00 2.18 H new ATOM 0 HZ3 LYS A 597 18.440 1.054 2.978 1.00 2.18 H new ATOM 1570 N GLU A 598 11.519 1.863 6.428 1.00 0.38 N ATOM 1571 CA GLU A 598 10.569 2.189 7.483 1.00 0.41 C ATOM 1572 C GLU A 598 9.561 3.236 7.016 1.00 0.34 C ATOM 1573 O GLU A 598 9.862 4.076 6.162 1.00 0.33 O ATOM 1574 CB GLU A 598 11.318 2.704 8.719 1.00 0.55 C ATOM 1575 CG GLU A 598 10.402 3.103 9.867 1.00 0.62 C ATOM 1576 CD GLU A 598 11.151 3.720 11.025 1.00 0.80 C ATOM 1577 OE1 GLU A 598 11.399 3.014 12.027 1.00 0.95 O ATOM 1578 OE2 GLU A 598 11.512 4.912 10.941 1.00 0.91 O ATOM 0 H GLU A 598 11.802 2.652 5.847 1.00 0.38 H new ATOM 0 HA GLU A 598 10.023 1.281 7.739 1.00 0.41 H new ATOM 0 HB2 GLU A 598 12.004 1.931 9.065 1.00 0.55 H new ATOM 0 HB3 GLU A 598 11.924 3.564 8.434 1.00 0.55 H new ATOM 0 HG2 GLU A 598 9.658 3.811 9.503 1.00 0.62 H new ATOM 0 HG3 GLU A 598 9.861 2.224 10.217 1.00 0.62 H new ATOM 1585 N LEU A 599 8.368 3.167 7.587 1.00 0.36 N ATOM 1586 CA LEU A 599 7.316 4.133 7.310 1.00 0.32 C ATOM 1587 C LEU A 599 6.978 4.931 8.558 1.00 0.33 C ATOM 1588 O LEU A 599 6.644 4.364 9.597 1.00 0.37 O ATOM 1589 CB LEU A 599 6.065 3.430 6.779 1.00 0.33 C ATOM 1590 CG LEU A 599 6.267 2.664 5.472 1.00 0.37 C ATOM 1591 CD1 LEU A 599 4.967 2.045 5.000 1.00 0.45 C ATOM 1592 CD2 LEU A 599 6.828 3.581 4.401 1.00 0.33 C ATOM 0 H LEU A 599 8.102 2.442 8.254 1.00 0.36 H new ATOM 0 HA LEU A 599 7.680 4.820 6.546 1.00 0.32 H new ATOM 0 HB2 LEU A 599 5.705 2.736 7.539 1.00 0.33 H new ATOM 0 HB3 LEU A 599 5.282 4.174 6.631 1.00 0.33 H new ATOM 0 HG LEU A 599 6.981 1.862 5.659 1.00 0.37 H new ATOM 0 HD11 LEU A 599 5.138 1.506 4.068 1.00 0.45 H new ATOM 0 HD12 LEU A 599 4.597 1.353 5.757 1.00 0.45 H new ATOM 0 HD13 LEU A 599 4.229 2.830 4.835 1.00 0.45 H new ATOM 0 HD21 LEU A 599 6.966 3.020 3.477 1.00 0.33 H new ATOM 0 HD22 LEU A 599 6.134 4.403 4.226 1.00 0.33 H new ATOM 0 HD23 LEU A 599 7.788 3.980 4.730 1.00 0.33 H new ATOM 1604 N GLN A 600 7.076 6.248 8.457 1.00 0.36 N ATOM 1605 CA GLN A 600 6.767 7.113 9.581 1.00 0.44 C ATOM 1606 C GLN A 600 5.534 7.956 9.281 1.00 0.39 C ATOM 1607 O GLN A 600 5.506 8.696 8.298 1.00 0.43 O ATOM 1608 CB GLN A 600 7.958 8.017 9.898 1.00 0.59 C ATOM 1609 CG GLN A 600 7.826 8.765 11.214 1.00 0.85 C ATOM 1610 CD GLN A 600 8.969 9.731 11.446 1.00 1.10 C ATOM 1611 OE1 GLN A 600 10.009 9.364 11.994 1.00 1.52 O ATOM 1612 NE2 GLN A 600 8.782 10.978 11.051 1.00 1.34 N ATOM 0 H GLN A 600 7.366 6.738 7.611 1.00 0.36 H new ATOM 0 HA GLN A 600 6.559 6.489 10.450 1.00 0.44 H new ATOM 0 HB2 GLN A 600 8.865 7.412 9.924 1.00 0.59 H new ATOM 0 HB3 GLN A 600 8.079 8.739 9.091 1.00 0.59 H new ATOM 0 HG2 GLN A 600 6.883 9.312 11.225 1.00 0.85 H new ATOM 0 HG3 GLN A 600 7.788 8.048 12.034 1.00 0.85 H new ATOM 0 HE21 GLN A 600 7.907 11.244 10.600 1.00 1.34 H new ATOM 0 HE22 GLN A 600 9.513 11.674 11.197 1.00 1.34 H new ATOM 1621 N LEU A 601 4.517 7.835 10.121 1.00 0.37 N ATOM 1622 CA LEU A 601 3.293 8.608 9.949 1.00 0.34 C ATOM 1623 C LEU A 601 3.513 10.074 10.303 1.00 0.39 C ATOM 1624 O LEU A 601 3.554 10.441 11.478 1.00 0.46 O ATOM 1625 CB LEU A 601 2.159 8.041 10.810 1.00 0.36 C ATOM 1626 CG LEU A 601 1.604 6.682 10.375 1.00 0.34 C ATOM 1627 CD1 LEU A 601 0.545 6.207 11.357 1.00 0.46 C ATOM 1628 CD2 LEU A 601 1.022 6.760 8.969 1.00 0.32 C ATOM 0 H LEU A 601 4.513 7.211 10.928 1.00 0.37 H new ATOM 0 HA LEU A 601 3.012 8.537 8.898 1.00 0.34 H new ATOM 0 HB2 LEU A 601 2.517 7.954 11.836 1.00 0.36 H new ATOM 0 HB3 LEU A 601 1.340 8.760 10.818 1.00 0.36 H new ATOM 0 HG LEU A 601 2.424 5.964 10.367 1.00 0.34 H new ATOM 0 HD11 LEU A 601 0.159 5.240 11.036 1.00 0.46 H new ATOM 0 HD12 LEU A 601 0.986 6.110 12.349 1.00 0.46 H new ATOM 0 HD13 LEU A 601 -0.270 6.930 11.391 1.00 0.46 H new ATOM 0 HD21 LEU A 601 0.634 5.783 8.681 1.00 0.32 H new ATOM 0 HD22 LEU A 601 0.214 7.492 8.950 1.00 0.32 H new ATOM 0 HD23 LEU A 601 1.801 7.061 8.269 1.00 0.32 H new ATOM 1640 N LYS A 602 3.684 10.903 9.283 1.00 0.41 N ATOM 1641 CA LYS A 602 3.718 12.346 9.469 1.00 0.48 C ATOM 1642 C LYS A 602 2.296 12.885 9.516 1.00 0.46 C ATOM 1643 O LYS A 602 2.052 14.020 9.924 1.00 0.51 O ATOM 1644 CB LYS A 602 4.503 13.025 8.345 1.00 0.59 C ATOM 1645 CG LYS A 602 5.989 12.697 8.354 1.00 0.69 C ATOM 1646 CD LYS A 602 6.754 13.552 7.358 1.00 0.93 C ATOM 1647 CE LYS A 602 8.239 13.231 7.373 1.00 1.49 C ATOM 1648 NZ LYS A 602 9.018 14.162 6.514 1.00 1.73 N ATOM 0 H LYS A 602 3.802 10.600 8.316 1.00 0.41 H new ATOM 0 HA LYS A 602 4.222 12.565 10.411 1.00 0.48 H new ATOM 0 HB2 LYS A 602 4.080 12.726 7.386 1.00 0.59 H new ATOM 0 HB3 LYS A 602 4.377 14.105 8.427 1.00 0.59 H new ATOM 0 HG2 LYS A 602 6.391 12.854 9.355 1.00 0.69 H new ATOM 0 HG3 LYS A 602 6.131 11.643 8.115 1.00 0.69 H new ATOM 0 HD2 LYS A 602 6.356 13.390 6.356 1.00 0.93 H new ATOM 0 HD3 LYS A 602 6.606 14.606 7.593 1.00 0.93 H new ATOM 0 HE2 LYS A 602 8.611 13.284 8.396 1.00 1.49 H new ATOM 0 HE3 LYS A 602 8.392 12.208 7.031 1.00 1.49 H new ATOM 0 HZ1 LYS A 602 10.026 13.908 6.552 1.00 1.73 H new ATOM 0 HZ2 LYS A 602 8.681 14.093 5.533 1.00 1.73 H new ATOM 0 HZ3 LYS A 602 8.893 15.136 6.856 1.00 1.73 H new ATOM 1662 N LYS A 603 1.365 12.052 9.084 1.00 0.44 N ATOM 1663 CA LYS A 603 -0.050 12.366 9.149 1.00 0.48 C ATOM 1664 C LYS A 603 -0.758 11.276 9.939 1.00 0.54 C ATOM 1665 O LYS A 603 -0.481 10.092 9.741 1.00 0.62 O ATOM 1666 CB LYS A 603 -0.641 12.474 7.739 1.00 0.58 C ATOM 1667 CG LYS A 603 -0.074 13.624 6.920 1.00 0.65 C ATOM 1668 CD LYS A 603 -0.387 14.971 7.554 1.00 0.79 C ATOM 1669 CE LYS A 603 0.216 16.121 6.763 1.00 0.90 C ATOM 1670 NZ LYS A 603 -0.339 16.207 5.383 1.00 1.69 N ATOM 0 H LYS A 603 1.570 11.139 8.678 1.00 0.44 H new ATOM 0 HA LYS A 603 -0.188 13.327 9.645 1.00 0.48 H new ATOM 0 HB2 LYS A 603 -0.462 11.539 7.208 1.00 0.58 H new ATOM 0 HB3 LYS A 603 -1.722 12.594 7.817 1.00 0.58 H new ATOM 0 HG2 LYS A 603 1.006 13.507 6.827 1.00 0.65 H new ATOM 0 HG3 LYS A 603 -0.486 13.591 5.912 1.00 0.65 H new ATOM 0 HD2 LYS A 603 -1.467 15.101 7.617 1.00 0.79 H new ATOM 0 HD3 LYS A 603 -0.003 14.991 8.574 1.00 0.79 H new ATOM 0 HE2 LYS A 603 0.028 17.058 7.287 1.00 0.90 H new ATOM 0 HE3 LYS A 603 1.298 15.996 6.711 1.00 0.90 H new ATOM 0 HZ1 LYS A 603 -0.031 17.096 4.940 1.00 1.69 H new ATOM 0 HZ2 LYS A 603 0.004 15.403 4.820 1.00 1.69 H new ATOM 0 HZ3 LYS A 603 -1.378 16.182 5.424 1.00 1.69 H new ATOM 1727 N ASN A 607 -8.788 4.634 12.561 1.00 0.65 N ATOM 1728 CA ASN A 607 -8.887 3.215 12.874 1.00 0.48 C ATOM 1729 C ASN A 607 -9.029 2.390 11.601 1.00 0.43 C ATOM 1730 O ASN A 607 -9.980 2.554 10.836 1.00 0.60 O ATOM 1731 CB ASN A 607 -10.076 2.956 13.803 1.00 0.59 C ATOM 1732 CG ASN A 607 -10.222 1.493 14.176 1.00 0.79 C ATOM 1733 OD1 ASN A 607 -10.924 0.735 13.508 1.00 1.28 O ATOM 1734 ND2 ASN A 607 -9.555 1.083 15.243 1.00 1.33 N ATOM 0 HA ASN A 607 -7.970 2.914 13.381 1.00 0.48 H new ATOM 0 HB2 ASN A 607 -9.958 3.548 14.711 1.00 0.59 H new ATOM 0 HB3 ASN A 607 -10.991 3.296 13.318 1.00 0.59 H new ATOM 0 HD21 ASN A 607 -9.613 0.108 15.537 1.00 1.33 H new ATOM 0 HD22 ASN A 607 -8.983 1.742 15.771 1.00 1.33 H new ATOM 1741 N VAL A 608 -8.078 1.494 11.394 1.00 0.30 N ATOM 1742 CA VAL A 608 -8.024 0.685 10.189 1.00 0.22 C ATOM 1743 C VAL A 608 -8.879 -0.579 10.337 1.00 0.21 C ATOM 1744 O VAL A 608 -9.300 -1.182 9.350 1.00 0.21 O ATOM 1745 CB VAL A 608 -6.553 0.330 9.852 1.00 0.19 C ATOM 1746 CG1 VAL A 608 -6.459 -0.649 8.700 1.00 0.19 C ATOM 1747 CG2 VAL A 608 -5.762 1.594 9.529 1.00 0.27 C ATOM 0 H VAL A 608 -7.324 1.308 12.055 1.00 0.30 H new ATOM 0 HA VAL A 608 -8.437 1.264 9.363 1.00 0.22 H new ATOM 0 HB VAL A 608 -6.124 -0.149 10.732 1.00 0.19 H new ATOM 0 HG11 VAL A 608 -5.412 -0.871 8.496 1.00 0.19 H new ATOM 0 HG12 VAL A 608 -6.981 -1.569 8.961 1.00 0.19 H new ATOM 0 HG13 VAL A 608 -6.917 -0.212 7.813 1.00 0.19 H new ATOM 0 HG21 VAL A 608 -4.731 1.328 9.295 1.00 0.27 H new ATOM 0 HG22 VAL A 608 -6.211 2.095 8.672 1.00 0.27 H new ATOM 0 HG23 VAL A 608 -5.777 2.263 10.390 1.00 0.27 H new ATOM 1757 N ALA A 609 -9.166 -0.959 11.578 1.00 0.28 N ATOM 1758 CA ALA A 609 -10.021 -2.117 11.847 1.00 0.33 C ATOM 1759 C ALA A 609 -11.425 -1.912 11.269 1.00 0.32 C ATOM 1760 O ALA A 609 -12.081 -2.861 10.819 1.00 0.32 O ATOM 1761 CB ALA A 609 -10.089 -2.389 13.342 1.00 0.44 C ATOM 0 H ALA A 609 -8.822 -0.486 12.413 1.00 0.28 H new ATOM 0 HA ALA A 609 -9.582 -2.985 11.356 1.00 0.33 H new ATOM 0 HB1 ALA A 609 -10.728 -3.253 13.526 1.00 0.44 H new ATOM 0 HB2 ALA A 609 -9.087 -2.592 13.721 1.00 0.44 H new ATOM 0 HB3 ALA A 609 -10.500 -1.518 13.852 1.00 0.44 H new ATOM 1767 N ALA A 610 -11.872 -0.663 11.258 1.00 0.33 N ATOM 1768 CA ALA A 610 -13.163 -0.314 10.684 1.00 0.35 C ATOM 1769 C ALA A 610 -13.160 -0.577 9.183 1.00 0.30 C ATOM 1770 O ALA A 610 -14.197 -0.855 8.584 1.00 0.31 O ATOM 1771 CB ALA A 610 -13.494 1.141 10.969 1.00 0.40 C ATOM 0 H ALA A 610 -11.356 0.128 11.642 1.00 0.33 H new ATOM 0 HA ALA A 610 -13.930 -0.937 11.144 1.00 0.35 H new ATOM 0 HB1 ALA A 610 -14.463 1.386 10.533 1.00 0.40 H new ATOM 0 HB2 ALA A 610 -13.530 1.302 12.046 1.00 0.40 H new ATOM 0 HB3 ALA A 610 -12.727 1.781 10.532 1.00 0.40 H new ATOM 1777 N ILE A 611 -11.979 -0.499 8.586 1.00 0.25 N ATOM 1778 CA ILE A 611 -11.820 -0.759 7.166 1.00 0.23 C ATOM 1779 C ILE A 611 -11.987 -2.253 6.883 1.00 0.22 C ATOM 1780 O ILE A 611 -12.453 -2.642 5.814 1.00 0.23 O ATOM 1781 CB ILE A 611 -10.454 -0.246 6.656 1.00 0.20 C ATOM 1782 CG1 ILE A 611 -10.358 1.262 6.887 1.00 0.24 C ATOM 1783 CG2 ILE A 611 -10.268 -0.569 5.179 1.00 0.22 C ATOM 1784 CD1 ILE A 611 -9.026 1.858 6.501 1.00 0.23 C ATOM 0 H ILE A 611 -11.114 -0.256 9.068 1.00 0.25 H new ATOM 0 HA ILE A 611 -12.596 -0.216 6.626 1.00 0.23 H new ATOM 0 HB ILE A 611 -9.661 -0.748 7.210 1.00 0.20 H new ATOM 0 HG12 ILE A 611 -11.145 1.757 6.318 1.00 0.24 H new ATOM 0 HG13 ILE A 611 -10.547 1.471 7.940 1.00 0.24 H new ATOM 0 HG21 ILE A 611 -9.299 -0.198 4.845 1.00 0.22 H new ATOM 0 HG22 ILE A 611 -10.312 -1.648 5.034 1.00 0.22 H new ATOM 0 HG23 ILE A 611 -11.059 -0.092 4.600 1.00 0.22 H new ATOM 0 HD11 ILE A 611 -9.037 2.931 6.695 1.00 0.23 H new ATOM 0 HD12 ILE A 611 -8.235 1.392 7.088 1.00 0.23 H new ATOM 0 HD13 ILE A 611 -8.842 1.683 5.441 1.00 0.23 H new ATOM 1796 N ILE A 612 -11.619 -3.093 7.856 1.00 0.22 N ATOM 1797 CA ILE A 612 -11.894 -4.528 7.765 1.00 0.24 C ATOM 1798 C ILE A 612 -13.398 -4.754 7.671 1.00 0.27 C ATOM 1799 O ILE A 612 -13.874 -5.541 6.850 1.00 0.28 O ATOM 1800 CB ILE A 612 -11.364 -5.308 8.993 1.00 0.26 C ATOM 1801 CG1 ILE A 612 -9.871 -5.053 9.207 1.00 0.26 C ATOM 1802 CG2 ILE A 612 -11.622 -6.800 8.823 1.00 0.31 C ATOM 1803 CD1 ILE A 612 -9.311 -5.712 10.450 1.00 0.31 C ATOM 0 H ILE A 612 -11.135 -2.807 8.707 1.00 0.22 H new ATOM 0 HA ILE A 612 -11.382 -4.896 6.876 1.00 0.24 H new ATOM 0 HB ILE A 612 -11.899 -4.952 9.874 1.00 0.26 H new ATOM 0 HG12 ILE A 612 -9.322 -5.413 8.337 1.00 0.26 H new ATOM 0 HG13 ILE A 612 -9.701 -3.978 9.269 1.00 0.26 H new ATOM 0 HG21 ILE A 612 -11.244 -7.336 9.694 1.00 0.31 H new ATOM 0 HG22 ILE A 612 -12.693 -6.975 8.726 1.00 0.31 H new ATOM 0 HG23 ILE A 612 -11.113 -7.158 7.928 1.00 0.31 H new ATOM 0 HD11 ILE A 612 -8.248 -5.486 10.534 1.00 0.31 H new ATOM 0 HD12 ILE A 612 -9.833 -5.334 11.329 1.00 0.31 H new ATOM 0 HD13 ILE A 612 -9.448 -6.791 10.383 1.00 0.31 H new ATOM 1815 N GLN A 613 -14.140 -4.027 8.500 1.00 0.31 N ATOM 1816 CA GLN A 613 -15.598 -4.096 8.486 1.00 0.35 C ATOM 1817 C GLN A 613 -16.134 -3.624 7.137 1.00 0.34 C ATOM 1818 O GLN A 613 -17.131 -4.136 6.632 1.00 0.37 O ATOM 1819 CB GLN A 613 -16.173 -3.234 9.607 1.00 0.41 C ATOM 1820 CG GLN A 613 -15.740 -3.678 10.994 1.00 0.49 C ATOM 1821 CD GLN A 613 -16.119 -2.688 12.078 1.00 1.37 C ATOM 1822 OE1 GLN A 613 -15.437 -2.576 13.097 1.00 1.97 O ATOM 1823 NE2 GLN A 613 -17.204 -1.961 11.871 1.00 2.31 N ATOM 0 H GLN A 613 -13.756 -3.382 9.191 1.00 0.31 H new ATOM 0 HA GLN A 613 -15.902 -5.131 8.643 1.00 0.35 H new ATOM 0 HB2 GLN A 613 -15.867 -2.199 9.453 1.00 0.41 H new ATOM 0 HB3 GLN A 613 -17.261 -3.256 9.550 1.00 0.41 H new ATOM 0 HG2 GLN A 613 -16.192 -4.644 11.218 1.00 0.49 H new ATOM 0 HG3 GLN A 613 -14.660 -3.822 11.003 1.00 0.49 H new ATOM 0 HE21 GLN A 613 -17.743 -2.082 11.014 1.00 2.31 H new ATOM 0 HE22 GLN A 613 -17.502 -1.279 12.568 1.00 2.31 H new ATOM 1832 N ASP A 614 -15.434 -2.660 6.557 1.00 0.33 N ATOM 1833 CA ASP A 614 -15.802 -2.104 5.258 1.00 0.33 C ATOM 1834 C ASP A 614 -15.652 -3.155 4.162 1.00 0.30 C ATOM 1835 O ASP A 614 -16.534 -3.310 3.314 1.00 0.34 O ATOM 1836 CB ASP A 614 -14.935 -0.889 4.926 1.00 0.36 C ATOM 1837 CG ASP A 614 -15.334 -0.234 3.619 1.00 0.95 C ATOM 1838 OD1 ASP A 614 -14.717 -0.552 2.582 1.00 1.95 O ATOM 1839 OD2 ASP A 614 -16.268 0.592 3.613 1.00 1.09 O ATOM 0 H ASP A 614 -14.600 -2.242 6.968 1.00 0.33 H new ATOM 0 HA ASP A 614 -16.845 -1.791 5.310 1.00 0.33 H new ATOM 0 HB2 ASP A 614 -15.012 -0.160 5.733 1.00 0.36 H new ATOM 0 HB3 ASP A 614 -13.890 -1.195 4.872 1.00 0.36 H new ATOM 1844 N ILE A 615 -14.537 -3.878 4.200 1.00 0.26 N ATOM 1845 CA ILE A 615 -14.249 -4.920 3.222 1.00 0.27 C ATOM 1846 C ILE A 615 -15.294 -6.025 3.287 1.00 0.32 C ATOM 1847 O ILE A 615 -15.829 -6.450 2.267 1.00 0.35 O ATOM 1848 CB ILE A 615 -12.860 -5.536 3.473 1.00 0.24 C ATOM 1849 CG1 ILE A 615 -11.784 -4.458 3.371 1.00 0.20 C ATOM 1850 CG2 ILE A 615 -12.586 -6.657 2.479 1.00 0.29 C ATOM 1851 CD1 ILE A 615 -10.427 -4.911 3.845 1.00 0.18 C ATOM 0 H ILE A 615 -13.811 -3.759 4.906 1.00 0.26 H new ATOM 0 HA ILE A 615 -14.269 -4.457 2.235 1.00 0.27 H new ATOM 0 HB ILE A 615 -12.840 -5.958 4.478 1.00 0.24 H new ATOM 0 HG12 ILE A 615 -11.707 -4.131 2.334 1.00 0.20 H new ATOM 0 HG13 ILE A 615 -12.093 -3.592 3.956 1.00 0.20 H new ATOM 0 HG21 ILE A 615 -11.600 -7.081 2.671 1.00 0.29 H new ATOM 0 HG22 ILE A 615 -13.343 -7.434 2.589 1.00 0.29 H new ATOM 0 HG23 ILE A 615 -12.619 -6.260 1.464 1.00 0.29 H new ATOM 0 HD11 ILE A 615 -9.714 -4.093 3.743 1.00 0.18 H new ATOM 0 HD12 ILE A 615 -10.488 -5.210 4.891 1.00 0.18 H new ATOM 0 HD13 ILE A 615 -10.096 -5.758 3.244 1.00 0.18 H new ATOM 1863 N HIS A 616 -15.588 -6.477 4.499 1.00 0.37 N ATOM 1864 CA HIS A 616 -16.565 -7.544 4.700 1.00 0.46 C ATOM 1865 C HIS A 616 -17.960 -7.110 4.246 1.00 0.44 C ATOM 1866 O HIS A 616 -18.752 -7.931 3.782 1.00 0.46 O ATOM 1867 CB HIS A 616 -16.597 -7.985 6.169 1.00 0.59 C ATOM 1868 CG HIS A 616 -15.420 -8.823 6.576 1.00 0.70 C ATOM 1869 ND1 HIS A 616 -15.537 -10.127 7.010 1.00 1.26 N ATOM 1870 CD2 HIS A 616 -14.099 -8.534 6.627 1.00 0.76 C ATOM 1871 CE1 HIS A 616 -14.341 -10.600 7.305 1.00 1.24 C ATOM 1872 NE2 HIS A 616 -13.451 -9.654 7.081 1.00 0.82 N ATOM 0 H HIS A 616 -15.166 -6.123 5.358 1.00 0.37 H new ATOM 0 HA HIS A 616 -16.257 -8.393 4.089 1.00 0.46 H new ATOM 0 HB2 HIS A 616 -16.638 -7.100 6.804 1.00 0.59 H new ATOM 0 HB3 HIS A 616 -17.512 -8.549 6.350 1.00 0.59 H new ATOM 0 HD2 HIS A 616 -13.639 -7.594 6.359 1.00 0.76 H new ATOM 0 HE1 HIS A 616 -14.127 -11.594 7.669 1.00 1.24 H new ATOM 0 HE2 HIS A 616 -12.445 -9.741 7.222 1.00 0.82 H new ATOM 1881 N SER A 617 -18.253 -5.821 4.371 1.00 0.45 N ATOM 1882 CA SER A 617 -19.514 -5.280 3.895 1.00 0.51 C ATOM 1883 C SER A 617 -19.510 -5.164 2.371 1.00 0.49 C ATOM 1884 O SER A 617 -20.566 -5.220 1.734 1.00 0.57 O ATOM 1885 CB SER A 617 -19.783 -3.908 4.525 1.00 0.58 C ATOM 1886 OG SER A 617 -19.879 -4.001 5.938 1.00 1.18 O ATOM 0 H SER A 617 -17.632 -5.133 4.798 1.00 0.45 H new ATOM 0 HA SER A 617 -20.309 -5.964 4.191 1.00 0.51 H new ATOM 0 HB2 SER A 617 -18.982 -3.219 4.257 1.00 0.58 H new ATOM 0 HB3 SER A 617 -20.707 -3.495 4.122 1.00 0.58 H new ATOM 0 HG SER A 617 -18.981 -4.074 6.323 1.00 1.18 H new