USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 775 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 531 SER OG : rot 110:sc= 0.684 USER MOD Set 1.2: A 584 ASN : amide:sc= 0.701 K(o=1.4,f=0.66) USER MOD Set 2.1: A 553 MET CE :methyl -115:sc= 0 (180deg=0) USER MOD Set 2.2: A 556 THR OG1 : rot -77:sc= -0.0996 USER MOD Set 3.1: A 523 HIS : no HE2:sc= -2.24 K(o=-0.71,f=-9.6!) USER MOD Set 3.2: A 525 CYS SG : rot 58:sc= 1.47 USER MOD Set 3.3: A 558 GLN :FLIP amide:sc= 0.0568 F(o=-1.3,f=-0.71) USER MOD Single : A 526 ASN : amide:sc= 0.114 K(o=0.11,f=-0.65) USER MOD Single : A 532 CYS SG : rot 14:sc= -1.17! USER MOD Single : A 533 THR OG1 : rot -136:sc= 2 USER MOD Single : A 535 ASN : amide:sc= -1.07 K(o=-1.1,f=-4.8!) USER MOD Single : A 539 ASN :FLIP amide:sc= -1.43 F(o=-3.6,f=-1.4) USER MOD Single : A 546 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 548 THR OG1 : rot 89:sc= 1.28 USER MOD Single : A 549 ASN : amide:sc= -0.427 K(o=-0.43,f=-2.7!) USER MOD Single : A 550 TYR OH : rot 180:sc= 0 USER MOD Single : A 554 LYS NZ :NH3+ 173:sc= 0.73 (180deg=0.705) USER MOD Single : A 555 SER OG : rot 180:sc= 0 USER MOD Single : A 557 ASN : amide:sc= 0.129 K(o=0.13,f=-0.99) USER MOD Single : A 563 MET CE :methyl -176:sc= -6.27! (180deg=-6.61!) USER MOD Single : A 565 TYR OH : rot 180:sc= 0 USER MOD Single : A 566 THR OG1 : rot 180:sc= 0 USER MOD Single : A 570 GLN : amide:sc= -0.803 X(o=-0.8,f=-0.96) USER MOD Single : A 572 MET CE :methyl 170:sc= -4.28! (180deg=-4.83!) USER MOD Single : A 574 GLN : amide:sc= -1.11 K(o=-1.1,f=-5.4!) USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 TYR OH : rot 60:sc= -0.501 USER MOD Single : A 577 GLN : amide:sc= -0.905 X(o=-0.9,f=-0.72) USER MOD Single : A 579 LYS NZ :NH3+ 160:sc= 1.27 (180deg=1.16) USER MOD Single : A 587 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 592 MET CE :methyl -132:sc= 0 (180deg=-0.35) USER MOD Single : A 593 SER OG : rot -13:sc= -2.65! USER MOD Single : A 594 THR OG1 : rot 180:sc= 0.0178 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=-0.000699 X(o=-0.0007,f=0) USER MOD Single : A 602 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 603 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 607 ASN : amide:sc= 0.666 K(o=0.67,f=-9.1!) USER MOD Single : A 613 GLN : amide:sc= -0.082 X(o=-0.082,f=-0.099) USER MOD Single : A 616 HIS :FLIP no HE2:sc= 0.511 F(o=-1.8!,f=0.51) USER MOD Single : A 617 SER OG : rot -80:sc= 0.475 USER MOD ----------------------------------------------------------------- ATOM 321 N ARG A 520 9.135 -2.350 7.615 1.00 0.46 N ATOM 322 CA ARG A 520 8.827 -2.840 6.277 1.00 0.40 C ATOM 323 C ARG A 520 8.161 -1.741 5.474 1.00 0.34 C ATOM 324 O ARG A 520 7.261 -1.061 5.968 1.00 0.36 O ATOM 325 CB ARG A 520 7.886 -4.047 6.346 1.00 0.44 C ATOM 326 CG ARG A 520 8.488 -5.264 7.023 1.00 0.56 C ATOM 327 CD ARG A 520 7.413 -6.243 7.459 1.00 0.64 C ATOM 328 NE ARG A 520 6.429 -5.605 8.333 1.00 0.93 N ATOM 329 CZ ARG A 520 6.607 -5.403 9.640 1.00 1.70 C ATOM 330 NH1 ARG A 520 7.733 -5.787 10.233 1.00 2.13 N ATOM 331 NH2 ARG A 520 5.661 -4.804 10.348 1.00 2.22 N ATOM 0 HA ARG A 520 9.758 -3.142 5.798 1.00 0.40 H new ATOM 0 HB2 ARG A 520 6.981 -3.758 6.880 1.00 0.44 H new ATOM 0 HB3 ARG A 520 7.586 -4.319 5.334 1.00 0.44 H new ATOM 0 HG2 ARG A 520 9.177 -5.759 6.339 1.00 0.56 H new ATOM 0 HG3 ARG A 520 9.069 -4.950 7.890 1.00 0.56 H new ATOM 0 HD2 ARG A 520 6.912 -6.649 6.581 1.00 0.64 H new ATOM 0 HD3 ARG A 520 7.874 -7.082 7.980 1.00 0.64 H new ATOM 0 HE ARG A 520 5.551 -5.295 7.917 1.00 0.93 H new ATOM 0 HH11 ARG A 520 8.468 -6.239 9.689 1.00 2.13 H new ATOM 0 HH12 ARG A 520 7.862 -5.629 11.232 1.00 2.13 H new ATOM 0 HH21 ARG A 520 4.800 -4.499 9.894 1.00 2.22 H new ATOM 0 HH22 ARG A 520 5.794 -4.648 11.347 1.00 2.22 H new ATOM 345 N VAL A 521 8.606 -1.558 4.245 1.00 0.29 N ATOM 346 CA VAL A 521 7.962 -0.618 3.350 1.00 0.24 C ATOM 347 C VAL A 521 7.380 -1.324 2.136 1.00 0.21 C ATOM 348 O VAL A 521 8.100 -1.981 1.376 1.00 0.23 O ATOM 349 CB VAL A 521 8.906 0.510 2.901 1.00 0.26 C ATOM 350 CG1 VAL A 521 8.168 1.483 2.009 1.00 0.27 C ATOM 351 CG2 VAL A 521 9.486 1.230 4.102 1.00 0.32 C ATOM 0 H VAL A 521 9.408 -2.046 3.846 1.00 0.29 H new ATOM 0 HA VAL A 521 7.151 -0.162 3.918 1.00 0.24 H new ATOM 0 HB VAL A 521 9.728 0.070 2.336 1.00 0.26 H new ATOM 0 HG11 VAL A 521 8.846 2.277 1.697 1.00 0.27 H new ATOM 0 HG12 VAL A 521 7.794 0.959 1.129 1.00 0.27 H new ATOM 0 HG13 VAL A 521 7.330 1.915 2.557 1.00 0.27 H new ATOM 0 HG21 VAL A 521 10.151 2.024 3.764 1.00 0.32 H new ATOM 0 HG22 VAL A 521 8.678 1.661 4.693 1.00 0.32 H new ATOM 0 HG23 VAL A 521 10.047 0.523 4.714 1.00 0.32 H new ATOM 361 N VAL A 522 6.083 -1.182 1.955 1.00 0.20 N ATOM 362 CA VAL A 522 5.409 -1.721 0.791 1.00 0.18 C ATOM 363 C VAL A 522 4.742 -0.565 0.058 1.00 0.18 C ATOM 364 O VAL A 522 3.936 0.152 0.644 1.00 0.19 O ATOM 365 CB VAL A 522 4.357 -2.777 1.193 1.00 0.20 C ATOM 366 CG1 VAL A 522 3.768 -3.460 -0.027 1.00 0.21 C ATOM 367 CG2 VAL A 522 4.960 -3.804 2.138 1.00 0.22 C ATOM 0 H VAL A 522 5.469 -0.693 2.606 1.00 0.20 H new ATOM 0 HA VAL A 522 6.134 -2.217 0.146 1.00 0.18 H new ATOM 0 HB VAL A 522 3.550 -2.260 1.711 1.00 0.20 H new ATOM 0 HG11 VAL A 522 3.031 -4.198 0.290 1.00 0.21 H new ATOM 0 HG12 VAL A 522 3.288 -2.717 -0.664 1.00 0.21 H new ATOM 0 HG13 VAL A 522 4.562 -3.957 -0.585 1.00 0.21 H new ATOM 0 HG21 VAL A 522 4.202 -4.539 2.409 1.00 0.22 H new ATOM 0 HG22 VAL A 522 5.793 -4.306 1.646 1.00 0.22 H new ATOM 0 HG23 VAL A 522 5.318 -3.304 3.038 1.00 0.22 H new ATOM 377 N HIS A 523 5.086 -0.353 -1.201 1.00 0.18 N ATOM 378 CA HIS A 523 4.577 0.789 -1.945 1.00 0.18 C ATOM 379 C HIS A 523 3.530 0.332 -2.951 1.00 0.17 C ATOM 380 O HIS A 523 3.721 -0.656 -3.661 1.00 0.18 O ATOM 381 CB HIS A 523 5.735 1.487 -2.673 1.00 0.20 C ATOM 382 CG HIS A 523 5.354 2.728 -3.429 1.00 0.25 C ATOM 383 ND1 HIS A 523 4.920 2.709 -4.734 1.00 0.39 N ATOM 384 CD2 HIS A 523 5.374 4.035 -3.065 1.00 0.30 C ATOM 385 CE1 HIS A 523 4.693 3.943 -5.139 1.00 0.44 C ATOM 386 NE2 HIS A 523 4.960 4.769 -4.147 1.00 0.37 N ATOM 0 H HIS A 523 5.716 -0.956 -1.730 1.00 0.18 H new ATOM 0 HA HIS A 523 4.114 1.491 -1.251 1.00 0.18 H new ATOM 0 HB2 HIS A 523 6.501 1.746 -1.942 1.00 0.20 H new ATOM 0 HB3 HIS A 523 6.186 0.780 -3.369 1.00 0.20 H new ATOM 0 HD1 HIS A 523 4.793 1.870 -5.301 1.00 0.39 H new ATOM 0 HD2 HIS A 523 5.663 4.426 -2.100 1.00 0.30 H new ATOM 0 HE1 HIS A 523 4.346 4.230 -6.121 1.00 0.44 H new ATOM 395 N ILE A 524 2.439 1.063 -3.011 1.00 0.16 N ATOM 396 CA ILE A 524 1.373 0.788 -3.949 1.00 0.16 C ATOM 397 C ILE A 524 1.338 1.906 -4.979 1.00 0.17 C ATOM 398 O ILE A 524 1.522 3.072 -4.639 1.00 0.19 O ATOM 399 CB ILE A 524 0.017 0.671 -3.221 1.00 0.17 C ATOM 400 CG1 ILE A 524 0.135 -0.370 -2.101 1.00 0.16 C ATOM 401 CG2 ILE A 524 -1.097 0.305 -4.197 1.00 0.18 C ATOM 402 CD1 ILE A 524 -1.154 -0.644 -1.360 1.00 0.18 C ATOM 0 H ILE A 524 2.265 1.868 -2.409 1.00 0.16 H new ATOM 0 HA ILE A 524 1.557 -0.165 -4.446 1.00 0.16 H new ATOM 0 HB ILE A 524 -0.241 1.636 -2.785 1.00 0.17 H new ATOM 0 HG12 ILE A 524 0.499 -1.304 -2.528 1.00 0.16 H new ATOM 0 HG13 ILE A 524 0.885 -0.032 -1.386 1.00 0.16 H new ATOM 0 HG21 ILE A 524 -2.042 0.229 -3.659 1.00 0.18 H new ATOM 0 HG22 ILE A 524 -1.177 1.076 -4.963 1.00 0.18 H new ATOM 0 HG23 ILE A 524 -0.869 -0.652 -4.667 1.00 0.18 H new ATOM 0 HD11 ILE A 524 -0.977 -1.392 -0.587 1.00 0.18 H new ATOM 0 HD12 ILE A 524 -1.512 0.277 -0.899 1.00 0.18 H new ATOM 0 HD13 ILE A 524 -1.904 -1.015 -2.059 1.00 0.18 H new ATOM 414 N CYS A 525 1.136 1.562 -6.235 1.00 0.17 N ATOM 415 CA CYS A 525 1.273 2.533 -7.304 1.00 0.18 C ATOM 416 C CYS A 525 0.086 2.475 -8.248 1.00 0.15 C ATOM 417 O CYS A 525 -0.622 1.466 -8.302 1.00 0.16 O ATOM 418 CB CYS A 525 2.554 2.251 -8.093 1.00 0.29 C ATOM 419 SG CYS A 525 3.790 1.290 -7.183 1.00 1.17 S ATOM 0 H CYS A 525 0.878 0.624 -6.540 1.00 0.17 H new ATOM 0 HA CYS A 525 1.317 3.527 -6.858 1.00 0.18 H new ATOM 0 HB2 CYS A 525 2.294 1.716 -9.006 1.00 0.29 H new ATOM 0 HB3 CYS A 525 2.998 3.200 -8.395 1.00 0.29 H new ATOM 0 HG CYS A 525 3.271 0.158 -6.811 1.00 1.17 H new ATOM 425 N ASN A 526 -0.122 3.580 -8.961 1.00 0.15 N ATOM 426 CA ASN A 526 -1.118 3.680 -10.036 1.00 0.16 C ATOM 427 C ASN A 526 -2.495 3.963 -9.470 1.00 0.15 C ATOM 428 O ASN A 526 -3.511 3.590 -10.055 1.00 0.18 O ATOM 429 CB ASN A 526 -1.160 2.422 -10.918 1.00 0.19 C ATOM 430 CG ASN A 526 0.145 2.154 -11.639 1.00 0.21 C ATOM 431 OD1 ASN A 526 0.902 3.074 -11.950 1.00 0.22 O ATOM 432 ND2 ASN A 526 0.415 0.888 -11.911 1.00 0.26 N ATOM 0 H ASN A 526 0.400 4.443 -8.810 1.00 0.15 H new ATOM 0 HA ASN A 526 -0.811 4.513 -10.669 1.00 0.16 H new ATOM 0 HB2 ASN A 526 -1.409 1.560 -10.299 1.00 0.19 H new ATOM 0 HB3 ASN A 526 -1.958 2.528 -11.653 1.00 0.19 H new ATOM 0 HD21 ASN A 526 1.278 0.644 -12.396 1.00 0.26 H new ATOM 0 HD22 ASN A 526 -0.240 0.156 -11.635 1.00 0.26 H new ATOM 439 N LEU A 527 -2.522 4.655 -8.347 1.00 0.15 N ATOM 440 CA LEU A 527 -3.774 5.049 -7.735 1.00 0.17 C ATOM 441 C LEU A 527 -4.225 6.354 -8.365 1.00 0.22 C ATOM 442 O LEU A 527 -3.477 7.326 -8.357 1.00 0.25 O ATOM 443 CB LEU A 527 -3.593 5.229 -6.227 1.00 0.15 C ATOM 444 CG LEU A 527 -3.365 3.947 -5.430 1.00 0.16 C ATOM 445 CD1 LEU A 527 -2.934 4.279 -4.015 1.00 0.18 C ATOM 446 CD2 LEU A 527 -4.634 3.115 -5.400 1.00 0.21 C ATOM 0 H LEU A 527 -1.689 4.956 -7.840 1.00 0.15 H new ATOM 0 HA LEU A 527 -4.525 4.276 -7.897 1.00 0.17 H new ATOM 0 HB2 LEU A 527 -2.747 5.895 -6.058 1.00 0.15 H new ATOM 0 HB3 LEU A 527 -4.477 5.729 -5.831 1.00 0.15 H new ATOM 0 HG LEU A 527 -2.576 3.372 -5.915 1.00 0.16 H new ATOM 0 HD11 LEU A 527 -2.775 3.356 -3.457 1.00 0.18 H new ATOM 0 HD12 LEU A 527 -2.007 4.851 -4.042 1.00 0.18 H new ATOM 0 HD13 LEU A 527 -3.710 4.868 -3.527 1.00 0.18 H new ATOM 0 HD21 LEU A 527 -4.458 2.204 -4.829 1.00 0.21 H new ATOM 0 HD22 LEU A 527 -5.434 3.688 -4.931 1.00 0.21 H new ATOM 0 HD23 LEU A 527 -4.923 2.855 -6.418 1.00 0.21 H new ATOM 458 N PRO A 528 -5.435 6.409 -8.934 1.00 0.26 N ATOM 459 CA PRO A 528 -5.905 7.625 -9.583 1.00 0.33 C ATOM 460 C PRO A 528 -6.225 8.707 -8.562 1.00 0.34 C ATOM 461 O PRO A 528 -6.927 8.457 -7.577 1.00 0.32 O ATOM 462 CB PRO A 528 -7.183 7.185 -10.316 1.00 0.38 C ATOM 463 CG PRO A 528 -7.232 5.693 -10.209 1.00 0.37 C ATOM 464 CD PRO A 528 -6.416 5.324 -9.005 1.00 0.29 C ATOM 0 HA PRO A 528 -5.156 8.052 -10.250 1.00 0.33 H new ATOM 0 HB2 PRO A 528 -8.066 7.637 -9.864 1.00 0.38 H new ATOM 0 HB3 PRO A 528 -7.162 7.500 -11.359 1.00 0.38 H new ATOM 0 HG2 PRO A 528 -8.260 5.345 -10.102 1.00 0.37 H new ATOM 0 HG3 PRO A 528 -6.829 5.226 -11.108 1.00 0.37 H new ATOM 0 HD2 PRO A 528 -7.026 5.271 -8.103 1.00 0.29 H new ATOM 0 HD3 PRO A 528 -5.937 4.352 -9.123 1.00 0.29 H new ATOM 472 N GLU A 529 -5.724 9.909 -8.806 1.00 0.41 N ATOM 473 CA GLU A 529 -5.993 11.042 -7.936 1.00 0.46 C ATOM 474 C GLU A 529 -7.470 11.391 -7.999 1.00 0.47 C ATOM 475 O GLU A 529 -8.070 11.375 -9.073 1.00 0.53 O ATOM 476 CB GLU A 529 -5.141 12.240 -8.340 1.00 0.57 C ATOM 477 CG GLU A 529 -5.303 13.441 -7.423 1.00 0.66 C ATOM 478 CD GLU A 529 -4.573 14.662 -7.933 1.00 1.12 C ATOM 479 OE1 GLU A 529 -5.130 15.370 -8.798 1.00 1.60 O ATOM 480 OE2 GLU A 529 -3.438 14.915 -7.485 1.00 1.41 O ATOM 0 H GLU A 529 -5.126 10.124 -9.604 1.00 0.41 H new ATOM 0 HA GLU A 529 -5.734 10.775 -6.911 1.00 0.46 H new ATOM 0 HB2 GLU A 529 -4.093 11.942 -8.352 1.00 0.57 H new ATOM 0 HB3 GLU A 529 -5.401 12.533 -9.357 1.00 0.57 H new ATOM 0 HG2 GLU A 529 -6.363 13.673 -7.318 1.00 0.66 H new ATOM 0 HG3 GLU A 529 -4.932 13.188 -6.430 1.00 0.66 H new ATOM 487 N GLY A 530 -8.059 11.698 -6.855 1.00 0.46 N ATOM 488 CA GLY A 530 -9.487 11.903 -6.806 1.00 0.48 C ATOM 489 C GLY A 530 -10.203 10.596 -6.573 1.00 0.43 C ATOM 490 O GLY A 530 -11.430 10.536 -6.549 1.00 0.46 O ATOM 0 H GLY A 530 -7.575 11.808 -5.964 1.00 0.46 H new ATOM 0 HA2 GLY A 530 -9.732 12.605 -6.009 1.00 0.48 H new ATOM 0 HA3 GLY A 530 -9.828 12.349 -7.740 1.00 0.48 H new ATOM 494 N SER A 531 -9.415 9.545 -6.395 1.00 0.37 N ATOM 495 CA SER A 531 -9.932 8.205 -6.188 1.00 0.35 C ATOM 496 C SER A 531 -8.995 7.425 -5.270 1.00 0.28 C ATOM 497 O SER A 531 -9.161 6.220 -5.066 1.00 0.30 O ATOM 498 CB SER A 531 -10.070 7.487 -7.527 1.00 0.40 C ATOM 499 OG SER A 531 -10.963 8.177 -8.386 1.00 1.08 O ATOM 0 H SER A 531 -8.397 9.601 -6.391 1.00 0.37 H new ATOM 0 HA SER A 531 -10.914 8.270 -5.720 1.00 0.35 H new ATOM 0 HB2 SER A 531 -9.092 7.406 -8.002 1.00 0.40 H new ATOM 0 HB3 SER A 531 -10.430 6.471 -7.363 1.00 0.40 H new ATOM 0 HG SER A 531 -10.460 8.582 -9.123 1.00 1.08 H new ATOM 505 N CYS A 532 -8.017 8.127 -4.709 1.00 0.24 N ATOM 506 CA CYS A 532 -7.064 7.517 -3.796 1.00 0.20 C ATOM 507 C CYS A 532 -7.605 7.623 -2.384 1.00 0.18 C ATOM 508 O CYS A 532 -7.301 8.579 -1.667 1.00 0.21 O ATOM 509 CB CYS A 532 -5.702 8.215 -3.867 1.00 0.21 C ATOM 510 SG CYS A 532 -4.933 8.219 -5.496 1.00 0.25 S ATOM 0 H CYS A 532 -7.865 9.122 -4.873 1.00 0.24 H new ATOM 0 HA CYS A 532 -6.928 6.474 -4.080 1.00 0.20 H new ATOM 0 HB2 CYS A 532 -5.821 9.247 -3.536 1.00 0.21 H new ATOM 0 HB3 CYS A 532 -5.025 7.730 -3.163 1.00 0.21 H new ATOM 0 HG CYS A 532 -5.812 7.880 -6.392 1.00 0.25 H new ATOM 516 N THR A 533 -8.421 6.670 -1.982 1.00 0.17 N ATOM 517 CA THR A 533 -8.996 6.727 -0.659 1.00 0.18 C ATOM 518 C THR A 533 -8.168 5.870 0.272 1.00 0.17 C ATOM 519 O THR A 533 -7.546 4.898 -0.163 1.00 0.18 O ATOM 520 CB THR A 533 -10.452 6.222 -0.649 1.00 0.26 C ATOM 521 OG1 THR A 533 -10.473 4.812 -0.899 1.00 0.35 O ATOM 522 CG2 THR A 533 -11.289 6.942 -1.698 1.00 0.28 C ATOM 0 H THR A 533 -8.695 5.863 -2.542 1.00 0.17 H new ATOM 0 HA THR A 533 -8.997 7.767 -0.331 1.00 0.18 H new ATOM 0 HB THR A 533 -10.881 6.429 0.331 1.00 0.26 H new ATOM 0 HG1 THR A 533 -11.185 4.604 -1.539 1.00 0.35 H new ATOM 0 HG21 THR A 533 -12.312 6.566 -1.669 1.00 0.28 H new ATOM 0 HG22 THR A 533 -11.290 8.012 -1.491 1.00 0.28 H new ATOM 0 HG23 THR A 533 -10.865 6.764 -2.686 1.00 0.28 H new ATOM 530 N GLU A 534 -8.164 6.216 1.546 1.00 0.19 N ATOM 531 CA GLU A 534 -7.467 5.422 2.540 1.00 0.20 C ATOM 532 C GLU A 534 -8.129 4.062 2.642 1.00 0.19 C ATOM 533 O GLU A 534 -7.475 3.040 2.857 1.00 0.20 O ATOM 534 CB GLU A 534 -7.427 6.133 3.896 1.00 0.23 C ATOM 535 CG GLU A 534 -6.665 7.462 3.876 1.00 0.27 C ATOM 536 CD GLU A 534 -7.456 8.583 3.234 1.00 0.93 C ATOM 537 OE1 GLU A 534 -8.622 8.792 3.624 1.00 1.17 O ATOM 538 OE2 GLU A 534 -6.913 9.269 2.339 1.00 1.64 O ATOM 0 H GLU A 534 -8.635 7.041 1.916 1.00 0.19 H new ATOM 0 HA GLU A 534 -6.431 5.289 2.229 1.00 0.20 H new ATOM 0 HB2 GLU A 534 -8.448 6.316 4.230 1.00 0.23 H new ATOM 0 HB3 GLU A 534 -6.965 5.471 4.629 1.00 0.23 H new ATOM 0 HG2 GLU A 534 -6.408 7.744 4.897 1.00 0.27 H new ATOM 0 HG3 GLU A 534 -5.727 7.330 3.336 1.00 0.27 H new ATOM 545 N ASN A 535 -9.437 4.072 2.452 1.00 0.20 N ATOM 546 CA ASN A 535 -10.245 2.879 2.588 1.00 0.22 C ATOM 547 C ASN A 535 -9.890 1.843 1.519 1.00 0.21 C ATOM 548 O ASN A 535 -9.618 0.703 1.852 1.00 0.21 O ATOM 549 CB ASN A 535 -11.727 3.249 2.501 1.00 0.27 C ATOM 550 CG ASN A 535 -12.640 2.170 3.053 1.00 0.96 C ATOM 551 OD1 ASN A 535 -12.263 1.417 3.950 1.00 1.82 O ATOM 552 ND2 ASN A 535 -13.856 2.106 2.538 1.00 1.38 N ATOM 0 H ASN A 535 -9.965 4.907 2.200 1.00 0.20 H new ATOM 0 HA ASN A 535 -10.041 2.433 3.561 1.00 0.22 H new ATOM 0 HB2 ASN A 535 -11.897 4.176 3.048 1.00 0.27 H new ATOM 0 HB3 ASN A 535 -11.988 3.441 1.460 1.00 0.27 H new ATOM 0 HD21 ASN A 535 -14.520 1.414 2.884 1.00 1.38 H new ATOM 0 HD22 ASN A 535 -14.130 2.749 1.795 1.00 1.38 H new ATOM 559 N ASP A 536 -9.804 2.253 0.248 1.00 0.21 N ATOM 560 CA ASP A 536 -9.622 1.295 -0.860 1.00 0.22 C ATOM 561 C ASP A 536 -8.237 0.662 -0.828 1.00 0.17 C ATOM 562 O ASP A 536 -8.083 -0.551 -0.991 1.00 0.16 O ATOM 563 CB ASP A 536 -9.826 1.966 -2.226 1.00 0.27 C ATOM 564 CG ASP A 536 -11.275 2.280 -2.533 1.00 0.37 C ATOM 565 OD1 ASP A 536 -12.103 1.346 -2.537 1.00 0.44 O ATOM 566 OD2 ASP A 536 -11.593 3.459 -2.795 1.00 0.61 O ATOM 0 H ASP A 536 -9.856 3.230 -0.042 1.00 0.21 H new ATOM 0 HA ASP A 536 -10.377 0.520 -0.724 1.00 0.22 H new ATOM 0 HB2 ASP A 536 -9.247 2.889 -2.259 1.00 0.27 H new ATOM 0 HB3 ASP A 536 -9.431 1.314 -3.005 1.00 0.27 H new ATOM 571 N VAL A 537 -7.243 1.510 -0.630 1.00 0.15 N ATOM 572 CA VAL A 537 -5.845 1.083 -0.611 1.00 0.13 C ATOM 573 C VAL A 537 -5.628 0.048 0.496 1.00 0.12 C ATOM 574 O VAL A 537 -5.063 -1.038 0.283 1.00 0.13 O ATOM 575 CB VAL A 537 -4.910 2.299 -0.408 1.00 0.12 C ATOM 576 CG1 VAL A 537 -3.443 1.902 -0.478 1.00 0.12 C ATOM 577 CG2 VAL A 537 -5.212 3.364 -1.447 1.00 0.13 C ATOM 0 H VAL A 537 -7.375 2.510 -0.478 1.00 0.15 H new ATOM 0 HA VAL A 537 -5.605 0.625 -1.570 1.00 0.13 H new ATOM 0 HB VAL A 537 -5.096 2.699 0.589 1.00 0.12 H new ATOM 0 HG11 VAL A 537 -2.820 2.784 -0.331 1.00 0.12 H new ATOM 0 HG12 VAL A 537 -3.226 1.171 0.301 1.00 0.12 H new ATOM 0 HG13 VAL A 537 -3.230 1.466 -1.454 1.00 0.12 H new ATOM 0 HG21 VAL A 537 -4.550 4.217 -1.297 1.00 0.13 H new ATOM 0 HG22 VAL A 537 -5.056 2.954 -2.445 1.00 0.13 H new ATOM 0 HG23 VAL A 537 -6.248 3.687 -1.346 1.00 0.13 H new ATOM 587 N ILE A 538 -6.118 0.372 1.673 1.00 0.12 N ATOM 588 CA ILE A 538 -6.063 -0.539 2.793 1.00 0.12 C ATOM 589 C ILE A 538 -6.986 -1.744 2.586 1.00 0.12 C ATOM 590 O ILE A 538 -6.688 -2.839 3.056 1.00 0.12 O ATOM 591 CB ILE A 538 -6.357 0.164 4.118 1.00 0.14 C ATOM 592 CG1 ILE A 538 -5.267 1.186 4.412 1.00 0.16 C ATOM 593 CG2 ILE A 538 -6.442 -0.849 5.242 1.00 0.14 C ATOM 594 CD1 ILE A 538 -5.409 1.823 5.767 1.00 0.23 C ATOM 0 H ILE A 538 -6.562 1.267 1.879 1.00 0.12 H new ATOM 0 HA ILE A 538 -5.040 -0.912 2.846 1.00 0.12 H new ATOM 0 HB ILE A 538 -7.315 0.678 4.042 1.00 0.14 H new ATOM 0 HG12 ILE A 538 -4.294 0.700 4.345 1.00 0.16 H new ATOM 0 HG13 ILE A 538 -5.289 1.963 3.647 1.00 0.16 H new ATOM 0 HG21 ILE A 538 -6.652 -0.335 6.180 1.00 0.14 H new ATOM 0 HG22 ILE A 538 -7.241 -1.560 5.031 1.00 0.14 H new ATOM 0 HG23 ILE A 538 -5.495 -1.382 5.324 1.00 0.14 H new ATOM 0 HD11 ILE A 538 -4.603 2.541 5.918 1.00 0.23 H new ATOM 0 HD12 ILE A 538 -6.369 2.336 5.829 1.00 0.23 H new ATOM 0 HD13 ILE A 538 -5.358 1.054 6.538 1.00 0.23 H new ATOM 606 N ASN A 539 -8.114 -1.547 1.897 1.00 0.12 N ATOM 607 CA ASN A 539 -9.000 -2.668 1.570 1.00 0.14 C ATOM 608 C ASN A 539 -8.238 -3.710 0.775 1.00 0.15 C ATOM 609 O ASN A 539 -8.621 -4.873 0.751 1.00 0.17 O ATOM 610 CB ASN A 539 -10.242 -2.272 0.748 1.00 0.17 C ATOM 611 CG ASN A 539 -11.301 -1.485 1.503 1.00 0.20 C ATOM 612 OD1 ASN A 539 -11.390 -1.677 2.806 1.00 0.25 O flip ATOM 613 ND2 ASN A 539 -12.047 -0.709 0.906 1.00 0.21 N flip ATOM 0 H ASN A 539 -8.432 -0.638 1.560 1.00 0.12 H new ATOM 0 HA ASN A 539 -9.346 -3.052 2.529 1.00 0.14 H new ATOM 0 HB2 ASN A 539 -9.917 -1.681 -0.108 1.00 0.17 H new ATOM 0 HB3 ASN A 539 -10.700 -3.179 0.354 1.00 0.17 H new ATOM 0 HD21 ASN A 539 -11.952 -0.584 -0.102 1.00 0.21 H new ATOM 0 HD22 ASN A 539 -12.761 -0.191 1.419 1.00 0.21 H new ATOM 620 N LEU A 540 -7.193 -3.286 0.078 1.00 0.15 N ATOM 621 CA LEU A 540 -6.324 -4.228 -0.600 1.00 0.17 C ATOM 622 C LEU A 540 -5.431 -4.931 0.414 1.00 0.16 C ATOM 623 O LEU A 540 -5.233 -6.141 0.345 1.00 0.19 O ATOM 624 CB LEU A 540 -5.436 -3.486 -1.595 1.00 0.19 C ATOM 625 CG LEU A 540 -6.165 -2.743 -2.708 1.00 0.22 C ATOM 626 CD1 LEU A 540 -5.176 -1.935 -3.529 1.00 0.27 C ATOM 627 CD2 LEU A 540 -6.923 -3.715 -3.592 1.00 0.24 C ATOM 0 H LEU A 540 -6.931 -2.306 -0.030 1.00 0.15 H new ATOM 0 HA LEU A 540 -6.941 -4.959 -1.122 1.00 0.17 H new ATOM 0 HB2 LEU A 540 -4.826 -2.770 -1.045 1.00 0.19 H new ATOM 0 HB3 LEU A 540 -4.753 -4.204 -2.050 1.00 0.19 H new ATOM 0 HG LEU A 540 -6.886 -2.061 -2.258 1.00 0.22 H new ATOM 0 HD11 LEU A 540 -5.706 -1.408 -4.322 1.00 0.27 H new ATOM 0 HD12 LEU A 540 -4.674 -1.213 -2.886 1.00 0.27 H new ATOM 0 HD13 LEU A 540 -4.437 -2.604 -3.970 1.00 0.27 H new ATOM 0 HD21 LEU A 540 -7.437 -3.165 -4.380 1.00 0.24 H new ATOM 0 HD22 LEU A 540 -6.224 -4.422 -4.039 1.00 0.24 H new ATOM 0 HD23 LEU A 540 -7.654 -4.258 -2.993 1.00 0.24 H new ATOM 639 N GLY A 541 -4.907 -4.157 1.361 1.00 0.14 N ATOM 640 CA GLY A 541 -4.008 -4.714 2.365 1.00 0.16 C ATOM 641 C GLY A 541 -4.651 -5.657 3.377 1.00 0.15 C ATOM 642 O GLY A 541 -4.201 -6.788 3.544 1.00 0.19 O ATOM 0 H GLY A 541 -5.086 -3.157 1.453 1.00 0.14 H new ATOM 0 HA2 GLY A 541 -3.209 -5.250 1.853 1.00 0.16 H new ATOM 0 HA3 GLY A 541 -3.543 -3.890 2.907 1.00 0.16 H new ATOM 646 N LEU A 542 -5.719 -5.214 4.016 1.00 0.13 N ATOM 647 CA LEU A 542 -6.277 -5.924 5.174 1.00 0.14 C ATOM 648 C LEU A 542 -6.638 -7.395 4.917 1.00 0.16 C ATOM 649 O LEU A 542 -6.312 -8.248 5.743 1.00 0.20 O ATOM 650 CB LEU A 542 -7.482 -5.178 5.730 1.00 0.13 C ATOM 651 CG LEU A 542 -7.149 -3.972 6.599 1.00 0.14 C ATOM 652 CD1 LEU A 542 -8.402 -3.169 6.888 1.00 0.16 C ATOM 653 CD2 LEU A 542 -6.493 -4.420 7.896 1.00 0.16 C ATOM 0 H LEU A 542 -6.224 -4.366 3.759 1.00 0.13 H new ATOM 0 HA LEU A 542 -5.472 -5.944 5.909 1.00 0.14 H new ATOM 0 HB2 LEU A 542 -8.101 -4.846 4.896 1.00 0.13 H new ATOM 0 HB3 LEU A 542 -8.083 -5.874 6.316 1.00 0.13 H new ATOM 0 HG LEU A 542 -6.448 -3.336 6.059 1.00 0.14 H new ATOM 0 HD11 LEU A 542 -8.149 -2.310 7.510 1.00 0.16 H new ATOM 0 HD12 LEU A 542 -8.836 -2.822 5.950 1.00 0.16 H new ATOM 0 HD13 LEU A 542 -9.123 -3.796 7.412 1.00 0.16 H new ATOM 0 HD21 LEU A 542 -6.261 -3.547 8.507 1.00 0.16 H new ATOM 0 HD22 LEU A 542 -7.174 -5.074 8.441 1.00 0.16 H new ATOM 0 HD23 LEU A 542 -5.574 -4.960 7.671 1.00 0.16 H new ATOM 665 N PRO A 543 -7.320 -7.736 3.804 1.00 0.17 N ATOM 666 CA PRO A 543 -7.734 -9.120 3.540 1.00 0.19 C ATOM 667 C PRO A 543 -6.560 -10.092 3.427 1.00 0.20 C ATOM 668 O PRO A 543 -6.739 -11.300 3.601 1.00 0.23 O ATOM 669 CB PRO A 543 -8.492 -9.027 2.212 1.00 0.22 C ATOM 670 CG PRO A 543 -8.913 -7.606 2.132 1.00 0.21 C ATOM 671 CD PRO A 543 -7.777 -6.838 2.735 1.00 0.17 C ATOM 0 HA PRO A 543 -8.333 -9.516 4.360 1.00 0.19 H new ATOM 0 HB2 PRO A 543 -7.856 -9.302 1.370 1.00 0.22 H new ATOM 0 HB3 PRO A 543 -9.351 -9.698 2.196 1.00 0.22 H new ATOM 0 HG2 PRO A 543 -9.092 -7.304 1.100 1.00 0.21 H new ATOM 0 HG3 PRO A 543 -9.840 -7.436 2.679 1.00 0.21 H new ATOM 0 HD2 PRO A 543 -6.990 -6.639 2.008 1.00 0.17 H new ATOM 0 HD3 PRO A 543 -8.101 -5.873 3.126 1.00 0.17 H new ATOM 679 N PHE A 544 -5.365 -9.592 3.125 1.00 0.20 N ATOM 680 CA PHE A 544 -4.190 -10.450 3.070 1.00 0.22 C ATOM 681 C PHE A 544 -3.362 -10.339 4.349 1.00 0.22 C ATOM 682 O PHE A 544 -2.524 -11.198 4.628 1.00 0.28 O ATOM 683 CB PHE A 544 -3.314 -10.087 1.869 1.00 0.23 C ATOM 684 CG PHE A 544 -3.994 -10.238 0.542 1.00 0.25 C ATOM 685 CD1 PHE A 544 -4.052 -11.470 -0.085 1.00 0.29 C ATOM 686 CD2 PHE A 544 -4.570 -9.144 -0.080 1.00 0.28 C ATOM 687 CE1 PHE A 544 -4.676 -11.609 -1.309 1.00 0.33 C ATOM 688 CE2 PHE A 544 -5.195 -9.276 -1.303 1.00 0.32 C ATOM 689 CZ PHE A 544 -5.250 -10.509 -1.918 1.00 0.33 C ATOM 0 H PHE A 544 -5.188 -8.609 2.917 1.00 0.20 H new ATOM 0 HA PHE A 544 -4.541 -11.477 2.967 1.00 0.22 H new ATOM 0 HB2 PHE A 544 -2.979 -9.055 1.977 1.00 0.23 H new ATOM 0 HB3 PHE A 544 -2.423 -10.715 1.881 1.00 0.23 H new ATOM 0 HD1 PHE A 544 -3.605 -12.332 0.388 1.00 0.29 H new ATOM 0 HD2 PHE A 544 -4.530 -8.176 0.397 1.00 0.28 H new ATOM 0 HE1 PHE A 544 -4.715 -12.575 -1.790 1.00 0.33 H new ATOM 0 HE2 PHE A 544 -5.641 -8.415 -1.778 1.00 0.32 H new ATOM 0 HZ PHE A 544 -5.741 -10.615 -2.874 1.00 0.33 H new ATOM 699 N GLY A 545 -3.608 -9.299 5.134 1.00 0.19 N ATOM 700 CA GLY A 545 -2.850 -9.105 6.355 1.00 0.21 C ATOM 701 C GLY A 545 -3.199 -7.806 7.056 1.00 0.21 C ATOM 702 O GLY A 545 -3.700 -6.873 6.434 1.00 0.44 O ATOM 0 H GLY A 545 -4.316 -8.588 4.949 1.00 0.19 H new ATOM 0 HA2 GLY A 545 -3.036 -9.940 7.031 1.00 0.21 H new ATOM 0 HA3 GLY A 545 -1.785 -9.114 6.123 1.00 0.21 H new ATOM 706 N LYS A 546 -2.928 -7.750 8.351 1.00 0.27 N ATOM 707 CA LYS A 546 -3.242 -6.576 9.154 1.00 0.25 C ATOM 708 C LYS A 546 -2.417 -5.365 8.728 1.00 0.20 C ATOM 709 O LYS A 546 -1.192 -5.439 8.598 1.00 0.24 O ATOM 710 CB LYS A 546 -2.993 -6.872 10.634 1.00 0.35 C ATOM 711 CG LYS A 546 -3.222 -5.682 11.555 1.00 0.41 C ATOM 712 CD LYS A 546 -4.693 -5.309 11.653 1.00 0.92 C ATOM 713 CE LYS A 546 -4.923 -4.282 12.751 1.00 1.60 C ATOM 714 NZ LYS A 546 -6.365 -3.986 12.952 1.00 2.07 N ATOM 0 H LYS A 546 -2.488 -8.509 8.872 1.00 0.27 H new ATOM 0 HA LYS A 546 -4.295 -6.340 8.997 1.00 0.25 H new ATOM 0 HB2 LYS A 546 -3.645 -7.688 10.945 1.00 0.35 H new ATOM 0 HB3 LYS A 546 -1.967 -7.220 10.756 1.00 0.35 H new ATOM 0 HG2 LYS A 546 -2.841 -5.915 12.549 1.00 0.41 H new ATOM 0 HG3 LYS A 546 -2.655 -4.826 11.189 1.00 0.41 H new ATOM 0 HD2 LYS A 546 -5.035 -4.909 10.698 1.00 0.92 H new ATOM 0 HD3 LYS A 546 -5.285 -6.201 11.855 1.00 0.92 H new ATOM 0 HE2 LYS A 546 -4.496 -4.649 13.684 1.00 1.60 H new ATOM 0 HE3 LYS A 546 -4.397 -3.361 12.500 1.00 1.60 H new ATOM 0 HZ1 LYS A 546 -6.472 -3.281 13.709 1.00 2.07 H new ATOM 0 HZ2 LYS A 546 -6.769 -3.611 12.070 1.00 2.07 H new ATOM 0 HZ3 LYS A 546 -6.865 -4.859 13.217 1.00 2.07 H new ATOM 728 N VAL A 547 -3.110 -4.258 8.509 1.00 0.16 N ATOM 729 CA VAL A 547 -2.481 -2.993 8.175 1.00 0.15 C ATOM 730 C VAL A 547 -2.274 -2.162 9.435 1.00 0.18 C ATOM 731 O VAL A 547 -3.238 -1.783 10.105 1.00 0.20 O ATOM 732 CB VAL A 547 -3.359 -2.214 7.173 1.00 0.16 C ATOM 733 CG1 VAL A 547 -2.804 -0.825 6.894 1.00 0.18 C ATOM 734 CG2 VAL A 547 -3.500 -3.003 5.882 1.00 0.14 C ATOM 0 H VAL A 547 -4.128 -4.213 8.559 1.00 0.16 H new ATOM 0 HA VAL A 547 -1.512 -3.193 7.719 1.00 0.15 H new ATOM 0 HB VAL A 547 -4.344 -2.084 7.622 1.00 0.16 H new ATOM 0 HG11 VAL A 547 -3.451 -0.310 6.184 1.00 0.18 H new ATOM 0 HG12 VAL A 547 -2.761 -0.257 7.823 1.00 0.18 H new ATOM 0 HG13 VAL A 547 -1.802 -0.911 6.474 1.00 0.18 H new ATOM 0 HG21 VAL A 547 -4.121 -2.446 5.181 1.00 0.14 H new ATOM 0 HG22 VAL A 547 -2.515 -3.164 5.445 1.00 0.14 H new ATOM 0 HG23 VAL A 547 -3.965 -3.966 6.093 1.00 0.14 H new ATOM 744 N THR A 548 -1.021 -1.904 9.772 1.00 0.20 N ATOM 745 CA THR A 548 -0.709 -1.107 10.945 1.00 0.23 C ATOM 746 C THR A 548 -0.529 0.366 10.595 1.00 0.23 C ATOM 747 O THR A 548 -0.954 1.243 11.347 1.00 0.27 O ATOM 748 CB THR A 548 0.559 -1.643 11.630 1.00 0.27 C ATOM 749 OG1 THR A 548 1.599 -1.815 10.656 1.00 0.26 O ATOM 750 CG2 THR A 548 0.283 -2.968 12.326 1.00 0.31 C ATOM 0 H THR A 548 -0.207 -2.233 9.252 1.00 0.20 H new ATOM 0 HA THR A 548 -1.552 -1.187 11.631 1.00 0.23 H new ATOM 0 HB THR A 548 0.876 -0.920 12.381 1.00 0.27 H new ATOM 0 HG1 THR A 548 2.107 -0.981 10.569 1.00 0.26 H new ATOM 0 HG21 THR A 548 1.196 -3.326 12.803 1.00 0.31 H new ATOM 0 HG22 THR A 548 -0.490 -2.828 13.082 1.00 0.31 H new ATOM 0 HG23 THR A 548 -0.055 -3.701 11.593 1.00 0.31 H new ATOM 758 N ASN A 549 0.052 0.622 9.430 1.00 0.20 N ATOM 759 CA ASN A 549 0.251 1.985 8.939 1.00 0.21 C ATOM 760 C ASN A 549 0.064 2.044 7.435 1.00 0.18 C ATOM 761 O ASN A 549 0.081 1.022 6.754 1.00 0.20 O ATOM 762 CB ASN A 549 1.642 2.535 9.293 1.00 0.26 C ATOM 763 CG ASN A 549 1.795 2.955 10.739 1.00 0.40 C ATOM 764 OD1 ASN A 549 0.826 3.293 11.418 1.00 1.26 O ATOM 765 ND2 ASN A 549 3.025 2.974 11.209 1.00 0.81 N ATOM 0 H ASN A 549 0.398 -0.102 8.800 1.00 0.20 H new ATOM 0 HA ASN A 549 -0.497 2.605 9.432 1.00 0.21 H new ATOM 0 HB2 ASN A 549 2.389 1.774 9.067 1.00 0.26 H new ATOM 0 HB3 ASN A 549 1.855 3.391 8.653 1.00 0.26 H new ATOM 0 HD21 ASN A 549 3.200 3.277 12.167 1.00 0.81 H new ATOM 0 HD22 ASN A 549 3.803 2.686 10.615 1.00 0.81 H new ATOM 772 N TYR A 550 -0.141 3.246 6.929 1.00 0.17 N ATOM 773 CA TYR A 550 -0.339 3.468 5.509 1.00 0.17 C ATOM 774 C TYR A 550 -0.113 4.934 5.185 1.00 0.17 C ATOM 775 O TYR A 550 -0.290 5.796 6.045 1.00 0.17 O ATOM 776 CB TYR A 550 -1.750 3.051 5.109 1.00 0.17 C ATOM 777 CG TYR A 550 -2.833 3.795 5.855 1.00 0.17 C ATOM 778 CD1 TYR A 550 -3.662 4.680 5.194 1.00 0.19 C ATOM 779 CD2 TYR A 550 -3.029 3.609 7.220 1.00 0.19 C ATOM 780 CE1 TYR A 550 -4.656 5.357 5.863 1.00 0.22 C ATOM 781 CE2 TYR A 550 -4.021 4.286 7.897 1.00 0.24 C ATOM 782 CZ TYR A 550 -4.833 5.158 7.209 1.00 0.25 C ATOM 783 OH TYR A 550 -5.836 5.823 7.865 1.00 0.31 O ATOM 0 H TYR A 550 -0.175 4.096 7.491 1.00 0.17 H new ATOM 0 HA TYR A 550 0.376 2.866 4.947 1.00 0.17 H new ATOM 0 HB2 TYR A 550 -1.879 3.214 4.039 1.00 0.17 H new ATOM 0 HB3 TYR A 550 -1.868 1.982 5.285 1.00 0.17 H new ATOM 0 HD1 TYR A 550 -3.528 4.843 4.135 1.00 0.19 H new ATOM 0 HD2 TYR A 550 -2.393 2.922 7.759 1.00 0.19 H new ATOM 0 HE1 TYR A 550 -5.296 6.044 5.329 1.00 0.22 H new ATOM 0 HE2 TYR A 550 -4.159 4.133 8.957 1.00 0.24 H new ATOM 0 HH TYR A 550 -5.830 5.572 8.812 1.00 0.31 H new ATOM 793 N ILE A 551 0.263 5.219 3.953 1.00 0.18 N ATOM 794 CA ILE A 551 0.538 6.579 3.526 1.00 0.16 C ATOM 795 C ILE A 551 -0.006 6.752 2.125 1.00 0.17 C ATOM 796 O ILE A 551 0.356 5.994 1.237 1.00 0.20 O ATOM 797 CB ILE A 551 2.054 6.860 3.480 1.00 0.18 C ATOM 798 CG1 ILE A 551 2.730 6.443 4.792 1.00 0.19 C ATOM 799 CG2 ILE A 551 2.317 8.331 3.192 1.00 0.22 C ATOM 800 CD1 ILE A 551 4.238 6.561 4.767 1.00 0.20 C ATOM 0 H ILE A 551 0.386 4.518 3.222 1.00 0.18 H new ATOM 0 HA ILE A 551 0.073 7.265 4.235 1.00 0.16 H new ATOM 0 HB ILE A 551 2.482 6.266 2.673 1.00 0.18 H new ATOM 0 HG12 ILE A 551 2.340 7.059 5.602 1.00 0.19 H new ATOM 0 HG13 ILE A 551 2.459 5.411 5.017 1.00 0.19 H new ATOM 0 HG21 ILE A 551 3.392 8.510 3.163 1.00 0.22 H new ATOM 0 HG22 ILE A 551 1.879 8.597 2.230 1.00 0.22 H new ATOM 0 HG23 ILE A 551 1.869 8.941 3.976 1.00 0.22 H new ATOM 0 HD11 ILE A 551 4.643 6.249 5.729 1.00 0.20 H new ATOM 0 HD12 ILE A 551 4.640 5.923 3.980 1.00 0.20 H new ATOM 0 HD13 ILE A 551 4.519 7.596 4.574 1.00 0.20 H new ATOM 812 N LEU A 552 -0.868 7.714 1.901 1.00 0.16 N ATOM 813 CA LEU A 552 -1.408 7.884 0.572 1.00 0.19 C ATOM 814 C LEU A 552 -0.822 9.118 -0.078 1.00 0.19 C ATOM 815 O LEU A 552 -0.941 10.213 0.461 1.00 0.26 O ATOM 816 CB LEU A 552 -2.928 7.964 0.580 1.00 0.27 C ATOM 817 CG LEU A 552 -3.656 6.706 1.025 1.00 0.30 C ATOM 818 CD1 LEU A 552 -5.117 6.830 0.674 1.00 0.43 C ATOM 819 CD2 LEU A 552 -3.058 5.462 0.401 1.00 0.42 C ATOM 0 H LEU A 552 -1.205 8.376 2.600 1.00 0.16 H new ATOM 0 HA LEU A 552 -1.130 7.005 -0.009 1.00 0.19 H new ATOM 0 HB2 LEU A 552 -3.226 8.784 1.234 1.00 0.27 H new ATOM 0 HB3 LEU A 552 -3.265 8.219 -0.425 1.00 0.27 H new ATOM 0 HG LEU A 552 -3.546 6.604 2.105 1.00 0.30 H new ATOM 0 HD11 LEU A 552 -5.645 5.930 0.991 1.00 0.43 H new ATOM 0 HD12 LEU A 552 -5.541 7.697 1.181 1.00 0.43 H new ATOM 0 HD13 LEU A 552 -5.223 6.952 -0.404 1.00 0.43 H new ATOM 0 HD21 LEU A 552 -3.606 4.584 0.743 1.00 0.42 H new ATOM 0 HD22 LEU A 552 -3.126 5.531 -0.685 1.00 0.42 H new ATOM 0 HD23 LEU A 552 -2.012 5.375 0.695 1.00 0.42 H new ATOM 831 N MET A 553 -0.233 8.961 -1.249 1.00 0.18 N ATOM 832 CA MET A 553 0.395 10.092 -1.910 1.00 0.26 C ATOM 833 C MET A 553 -0.472 10.498 -3.088 1.00 0.26 C ATOM 834 O MET A 553 -0.207 10.135 -4.237 1.00 0.25 O ATOM 835 CB MET A 553 1.793 9.707 -2.413 1.00 0.35 C ATOM 836 CG MET A 553 2.628 8.939 -1.401 1.00 0.56 C ATOM 837 SD MET A 553 3.974 8.017 -2.174 1.00 1.03 S ATOM 838 CE MET A 553 5.017 9.344 -2.766 1.00 0.80 C ATOM 0 H MET A 553 -0.176 8.078 -1.756 1.00 0.18 H new ATOM 0 HA MET A 553 0.495 10.918 -1.206 1.00 0.26 H new ATOM 0 HB2 MET A 553 1.689 9.104 -3.315 1.00 0.35 H new ATOM 0 HB3 MET A 553 2.328 10.614 -2.696 1.00 0.35 H new ATOM 0 HG2 MET A 553 3.041 9.636 -0.672 1.00 0.56 H new ATOM 0 HG3 MET A 553 1.986 8.249 -0.854 1.00 0.56 H new ATOM 0 HE1 MET A 553 5.046 9.326 -3.855 1.00 0.80 H new ATOM 0 HE2 MET A 553 4.616 10.300 -2.430 1.00 0.80 H new ATOM 0 HE3 MET A 553 6.026 9.216 -2.374 1.00 0.80 H new ATOM 848 N LYS A 554 -1.514 11.252 -2.778 1.00 0.32 N ATOM 849 CA LYS A 554 -2.414 11.792 -3.792 1.00 0.37 C ATOM 850 C LYS A 554 -1.673 12.577 -4.873 1.00 0.38 C ATOM 851 O LYS A 554 -2.108 12.618 -6.022 1.00 0.40 O ATOM 852 CB LYS A 554 -3.470 12.683 -3.126 1.00 0.47 C ATOM 853 CG LYS A 554 -3.951 12.183 -1.761 1.00 0.43 C ATOM 854 CD LYS A 554 -4.471 10.753 -1.812 1.00 0.37 C ATOM 855 CE LYS A 554 -4.950 10.275 -0.444 1.00 0.39 C ATOM 856 NZ LYS A 554 -6.244 10.882 -0.040 1.00 1.03 N ATOM 0 H LYS A 554 -1.762 11.508 -1.822 1.00 0.32 H new ATOM 0 HA LYS A 554 -2.896 10.947 -4.283 1.00 0.37 H new ATOM 0 HB2 LYS A 554 -3.059 13.686 -3.008 1.00 0.47 H new ATOM 0 HB3 LYS A 554 -4.329 12.767 -3.792 1.00 0.47 H new ATOM 0 HG2 LYS A 554 -3.130 12.242 -1.047 1.00 0.43 H new ATOM 0 HG3 LYS A 554 -4.740 12.840 -1.395 1.00 0.43 H new ATOM 0 HD2 LYS A 554 -5.291 10.690 -2.527 1.00 0.37 H new ATOM 0 HD3 LYS A 554 -3.683 10.092 -2.172 1.00 0.37 H new ATOM 0 HE2 LYS A 554 -5.053 9.190 -0.459 1.00 0.39 H new ATOM 0 HE3 LYS A 554 -4.194 10.513 0.304 1.00 0.39 H new ATOM 0 HZ1 LYS A 554 -6.578 10.435 0.837 1.00 1.03 H new ATOM 0 HZ2 LYS A 554 -6.115 11.902 0.119 1.00 1.03 H new ATOM 0 HZ3 LYS A 554 -6.946 10.735 -0.793 1.00 1.03 H new ATOM 870 N SER A 555 -0.547 13.171 -4.514 1.00 0.40 N ATOM 871 CA SER A 555 0.178 14.043 -5.418 1.00 0.44 C ATOM 872 C SER A 555 0.804 13.267 -6.582 1.00 0.38 C ATOM 873 O SER A 555 0.752 13.708 -7.733 1.00 0.38 O ATOM 874 CB SER A 555 1.255 14.790 -4.631 1.00 0.51 C ATOM 875 OG SER A 555 2.121 13.877 -3.973 1.00 0.50 O ATOM 0 H SER A 555 -0.114 13.063 -3.597 1.00 0.40 H new ATOM 0 HA SER A 555 -0.525 14.753 -5.852 1.00 0.44 H new ATOM 0 HB2 SER A 555 1.831 15.424 -5.305 1.00 0.51 H new ATOM 0 HB3 SER A 555 0.787 15.447 -3.898 1.00 0.51 H new ATOM 0 HG SER A 555 2.804 14.374 -3.476 1.00 0.50 H new ATOM 881 N THR A 556 1.397 12.117 -6.287 1.00 0.34 N ATOM 882 CA THR A 556 2.122 11.356 -7.296 1.00 0.32 C ATOM 883 C THR A 556 1.333 10.153 -7.811 1.00 0.27 C ATOM 884 O THR A 556 1.863 9.344 -8.578 1.00 0.28 O ATOM 885 CB THR A 556 3.469 10.865 -6.739 1.00 0.36 C ATOM 886 OG1 THR A 556 3.251 10.137 -5.524 1.00 0.34 O ATOM 887 CG2 THR A 556 4.410 12.027 -6.473 1.00 0.45 C ATOM 0 H THR A 556 1.390 11.692 -5.360 1.00 0.34 H new ATOM 0 HA THR A 556 2.283 12.037 -8.132 1.00 0.32 H new ATOM 0 HB THR A 556 3.929 10.216 -7.484 1.00 0.36 H new ATOM 0 HG1 THR A 556 3.081 10.766 -4.792 1.00 0.34 H new ATOM 0 HG21 THR A 556 5.354 11.648 -6.080 1.00 0.45 H new ATOM 0 HG22 THR A 556 4.594 12.566 -7.402 1.00 0.45 H new ATOM 0 HG23 THR A 556 3.959 12.702 -5.746 1.00 0.45 H new ATOM 895 N ASN A 557 0.064 10.052 -7.412 1.00 0.26 N ATOM 896 CA ASN A 557 -0.777 8.900 -7.767 1.00 0.26 C ATOM 897 C ASN A 557 -0.148 7.607 -7.244 1.00 0.21 C ATOM 898 O ASN A 557 -0.171 6.563 -7.904 1.00 0.25 O ATOM 899 CB ASN A 557 -0.976 8.810 -9.290 1.00 0.31 C ATOM 900 CG ASN A 557 -1.725 10.000 -9.866 1.00 0.38 C ATOM 901 OD1 ASN A 557 -2.954 10.006 -9.938 1.00 1.09 O ATOM 902 ND2 ASN A 557 -0.987 11.012 -10.299 1.00 1.28 N ATOM 0 H ASN A 557 -0.408 10.754 -6.842 1.00 0.26 H new ATOM 0 HA ASN A 557 -1.753 9.037 -7.302 1.00 0.26 H new ATOM 0 HB2 ASN A 557 -0.002 8.733 -9.773 1.00 0.31 H new ATOM 0 HB3 ASN A 557 -1.522 7.896 -9.525 1.00 0.31 H new ATOM 0 HD21 ASN A 557 -1.435 11.832 -10.709 1.00 1.28 H new ATOM 0 HD22 ASN A 557 0.029 10.971 -10.223 1.00 1.28 H new ATOM 909 N GLN A 558 0.402 7.693 -6.040 1.00 0.17 N ATOM 910 CA GLN A 558 1.134 6.588 -5.431 1.00 0.17 C ATOM 911 C GLN A 558 0.767 6.477 -3.962 1.00 0.16 C ATOM 912 O GLN A 558 0.117 7.367 -3.424 1.00 0.20 O ATOM 913 CB GLN A 558 2.640 6.809 -5.569 1.00 0.22 C ATOM 914 CG GLN A 558 3.124 6.872 -7.007 1.00 0.29 C ATOM 915 CD GLN A 558 4.600 7.187 -7.103 1.00 0.41 C ATOM 916 OE1 GLN A 558 4.992 7.872 -8.163 1.00 0.78 O flip ATOM 917 NE2 GLN A 558 5.380 6.824 -6.223 1.00 0.84 N flip ATOM 0 H GLN A 558 0.354 8.529 -5.458 1.00 0.17 H new ATOM 0 HA GLN A 558 0.865 5.664 -5.943 1.00 0.17 H new ATOM 0 HB2 GLN A 558 2.909 7.737 -5.065 1.00 0.22 H new ATOM 0 HB3 GLN A 558 3.164 6.003 -5.055 1.00 0.22 H new ATOM 0 HG2 GLN A 558 2.926 5.919 -7.497 1.00 0.29 H new ATOM 0 HG3 GLN A 558 2.557 7.631 -7.546 1.00 0.29 H new ATOM 0 HE21 GLN A 558 5.035 6.297 -5.421 1.00 0.84 H new ATOM 0 HE22 GLN A 558 6.372 7.050 -6.296 1.00 0.84 H new ATOM 926 N ALA A 559 1.134 5.381 -3.315 1.00 0.15 N ATOM 927 CA ALA A 559 0.860 5.222 -1.898 1.00 0.14 C ATOM 928 C ALA A 559 1.773 4.183 -1.249 1.00 0.14 C ATOM 929 O ALA A 559 2.467 3.435 -1.927 1.00 0.16 O ATOM 930 CB ALA A 559 -0.590 4.857 -1.692 1.00 0.15 C ATOM 0 H ALA A 559 1.619 4.594 -3.747 1.00 0.15 H new ATOM 0 HA ALA A 559 1.065 6.176 -1.411 1.00 0.14 H new ATOM 0 HB1 ALA A 559 -0.788 4.739 -0.627 1.00 0.15 H new ATOM 0 HB2 ALA A 559 -1.225 5.647 -2.094 1.00 0.15 H new ATOM 0 HB3 ALA A 559 -0.806 3.921 -2.207 1.00 0.15 H new ATOM 936 N PHE A 560 1.784 4.183 0.071 1.00 0.14 N ATOM 937 CA PHE A 560 2.504 3.185 0.854 1.00 0.15 C ATOM 938 C PHE A 560 1.548 2.433 1.762 1.00 0.14 C ATOM 939 O PHE A 560 0.564 2.991 2.249 1.00 0.16 O ATOM 940 CB PHE A 560 3.601 3.815 1.716 1.00 0.16 C ATOM 941 CG PHE A 560 4.761 4.381 0.951 1.00 0.20 C ATOM 942 CD1 PHE A 560 5.894 3.626 0.725 1.00 0.26 C ATOM 943 CD2 PHE A 560 4.698 5.660 0.430 1.00 0.29 C ATOM 944 CE1 PHE A 560 6.948 4.136 -0.008 1.00 0.30 C ATOM 945 CE2 PHE A 560 5.751 6.179 -0.298 1.00 0.35 C ATOM 946 CZ PHE A 560 6.938 5.440 -0.407 1.00 0.30 C ATOM 0 H PHE A 560 1.293 4.876 0.636 1.00 0.14 H new ATOM 0 HA PHE A 560 2.967 2.501 0.143 1.00 0.15 H new ATOM 0 HB2 PHE A 560 3.159 4.610 2.317 1.00 0.16 H new ATOM 0 HB3 PHE A 560 3.975 3.062 2.409 1.00 0.16 H new ATOM 0 HD1 PHE A 560 5.957 2.625 1.126 1.00 0.26 H new ATOM 0 HD2 PHE A 560 3.815 6.260 0.594 1.00 0.29 H new ATOM 0 HE1 PHE A 560 7.782 3.500 -0.266 1.00 0.30 H new ATOM 0 HE2 PHE A 560 5.661 7.143 -0.778 1.00 0.35 H new ATOM 0 HZ PHE A 560 7.833 5.898 -0.802 1.00 0.30 H new ATOM 956 N LEU A 561 1.857 1.172 1.991 1.00 0.14 N ATOM 957 CA LEU A 561 1.044 0.319 2.835 1.00 0.14 C ATOM 958 C LEU A 561 1.942 -0.475 3.780 1.00 0.16 C ATOM 959 O LEU A 561 2.800 -1.239 3.342 1.00 0.18 O ATOM 960 CB LEU A 561 0.223 -0.620 1.942 1.00 0.15 C ATOM 961 CG LEU A 561 -0.738 -1.570 2.656 1.00 0.17 C ATOM 962 CD1 LEU A 561 -1.779 -0.787 3.443 1.00 0.19 C ATOM 963 CD2 LEU A 561 -1.414 -2.486 1.640 1.00 0.20 C ATOM 0 H LEU A 561 2.677 0.710 1.598 1.00 0.14 H new ATOM 0 HA LEU A 561 0.364 0.921 3.438 1.00 0.14 H new ATOM 0 HB2 LEU A 561 -0.353 -0.011 1.245 1.00 0.15 H new ATOM 0 HB3 LEU A 561 0.914 -1.217 1.347 1.00 0.15 H new ATOM 0 HG LEU A 561 -0.170 -2.181 3.358 1.00 0.17 H new ATOM 0 HD11 LEU A 561 -2.454 -1.481 3.944 1.00 0.19 H new ATOM 0 HD12 LEU A 561 -1.281 -0.165 4.186 1.00 0.19 H new ATOM 0 HD13 LEU A 561 -2.349 -0.154 2.763 1.00 0.19 H new ATOM 0 HD21 LEU A 561 -2.097 -3.160 2.156 1.00 0.20 H new ATOM 0 HD22 LEU A 561 -1.971 -1.884 0.922 1.00 0.20 H new ATOM 0 HD23 LEU A 561 -0.657 -3.069 1.115 1.00 0.20 H new ATOM 975 N GLU A 562 1.755 -0.277 5.077 1.00 0.17 N ATOM 976 CA GLU A 562 2.543 -0.996 6.065 1.00 0.20 C ATOM 977 C GLU A 562 1.756 -2.174 6.607 1.00 0.18 C ATOM 978 O GLU A 562 0.661 -2.023 7.154 1.00 0.18 O ATOM 979 CB GLU A 562 2.968 -0.087 7.219 1.00 0.27 C ATOM 980 CG GLU A 562 3.936 -0.757 8.185 1.00 0.57 C ATOM 981 CD GLU A 562 4.243 0.091 9.401 1.00 1.17 C ATOM 982 OE1 GLU A 562 5.138 0.955 9.317 1.00 2.09 O ATOM 983 OE2 GLU A 562 3.601 -0.117 10.451 1.00 1.21 O ATOM 0 H GLU A 562 1.070 0.370 5.467 1.00 0.17 H new ATOM 0 HA GLU A 562 3.444 -1.355 5.567 1.00 0.20 H new ATOM 0 HB2 GLU A 562 3.433 0.811 6.813 1.00 0.27 H new ATOM 0 HB3 GLU A 562 2.081 0.233 7.767 1.00 0.27 H new ATOM 0 HG2 GLU A 562 3.515 -1.709 8.510 1.00 0.57 H new ATOM 0 HG3 GLU A 562 4.865 -0.981 7.662 1.00 0.57 H new ATOM 990 N MET A 563 2.335 -3.343 6.454 1.00 0.25 N ATOM 991 CA MET A 563 1.700 -4.579 6.850 1.00 0.23 C ATOM 992 C MET A 563 2.399 -5.132 8.078 1.00 0.27 C ATOM 993 O MET A 563 3.610 -4.963 8.246 1.00 0.39 O ATOM 994 CB MET A 563 1.771 -5.561 5.684 1.00 0.25 C ATOM 995 CG MET A 563 1.251 -4.958 4.389 1.00 0.25 C ATOM 996 SD MET A 563 1.744 -5.881 2.929 1.00 0.31 S ATOM 997 CE MET A 563 1.111 -4.816 1.632 1.00 0.25 C ATOM 0 H MET A 563 3.264 -3.464 6.050 1.00 0.25 H new ATOM 0 HA MET A 563 0.653 -4.410 7.103 1.00 0.23 H new ATOM 0 HB2 MET A 563 2.803 -5.881 5.544 1.00 0.25 H new ATOM 0 HB3 MET A 563 1.191 -6.452 5.926 1.00 0.25 H new ATOM 0 HG2 MET A 563 0.163 -4.910 4.430 1.00 0.25 H new ATOM 0 HG3 MET A 563 1.613 -3.933 4.302 1.00 0.25 H new ATOM 0 HE1 MET A 563 1.275 -5.286 0.663 1.00 0.25 H new ATOM 0 HE2 MET A 563 0.043 -4.656 1.782 1.00 0.25 H new ATOM 0 HE3 MET A 563 1.630 -3.858 1.663 1.00 0.25 H new ATOM 1007 N ALA A 564 1.623 -5.787 8.935 1.00 0.28 N ATOM 1008 CA ALA A 564 2.090 -6.210 10.249 1.00 0.33 C ATOM 1009 C ALA A 564 3.222 -7.221 10.161 1.00 0.27 C ATOM 1010 O ALA A 564 4.011 -7.353 11.095 1.00 0.40 O ATOM 1011 CB ALA A 564 0.934 -6.785 11.054 1.00 0.50 C ATOM 0 H ALA A 564 0.654 -6.039 8.738 1.00 0.28 H new ATOM 0 HA ALA A 564 2.483 -5.328 10.754 1.00 0.33 H new ATOM 0 HB1 ALA A 564 1.293 -7.098 12.034 1.00 0.50 H new ATOM 0 HB2 ALA A 564 0.162 -6.025 11.176 1.00 0.50 H new ATOM 0 HB3 ALA A 564 0.517 -7.644 10.529 1.00 0.50 H new ATOM 1017 N TYR A 565 3.301 -7.933 9.046 1.00 0.27 N ATOM 1018 CA TYR A 565 4.325 -8.949 8.862 1.00 0.37 C ATOM 1019 C TYR A 565 4.776 -9.006 7.407 1.00 0.33 C ATOM 1020 O TYR A 565 4.043 -8.610 6.499 1.00 0.29 O ATOM 1021 CB TYR A 565 3.802 -10.320 9.304 1.00 0.55 C ATOM 1022 CG TYR A 565 3.573 -10.434 10.796 1.00 0.68 C ATOM 1023 CD1 TYR A 565 2.290 -10.444 11.326 1.00 0.75 C ATOM 1024 CD2 TYR A 565 4.647 -10.518 11.672 1.00 0.86 C ATOM 1025 CE1 TYR A 565 2.083 -10.534 12.690 1.00 0.90 C ATOM 1026 CE2 TYR A 565 4.449 -10.612 13.035 1.00 1.00 C ATOM 1027 CZ TYR A 565 3.167 -10.618 13.538 1.00 0.98 C ATOM 1028 OH TYR A 565 2.969 -10.703 14.900 1.00 1.15 O ATOM 0 H TYR A 565 2.667 -7.825 8.254 1.00 0.27 H new ATOM 0 HA TYR A 565 5.183 -8.682 9.479 1.00 0.37 H new ATOM 0 HB2 TYR A 565 2.866 -10.526 8.785 1.00 0.55 H new ATOM 0 HB3 TYR A 565 4.513 -11.087 8.995 1.00 0.55 H new ATOM 0 HD1 TYR A 565 1.440 -10.380 10.662 1.00 0.75 H new ATOM 0 HD2 TYR A 565 5.654 -10.510 11.281 1.00 0.86 H new ATOM 0 HE1 TYR A 565 1.079 -10.538 13.089 1.00 0.90 H new ATOM 0 HE2 TYR A 565 5.295 -10.680 13.703 1.00 1.00 H new ATOM 0 HH TYR A 565 3.836 -10.756 15.354 1.00 1.15 H new ATOM 1038 N THR A 566 5.989 -9.509 7.207 1.00 0.39 N ATOM 1039 CA THR A 566 6.579 -9.617 5.877 1.00 0.40 C ATOM 1040 C THR A 566 5.820 -10.650 5.044 1.00 0.36 C ATOM 1041 O THR A 566 5.770 -10.563 3.815 1.00 0.35 O ATOM 1042 CB THR A 566 8.086 -9.979 5.945 1.00 0.51 C ATOM 1043 OG1 THR A 566 8.691 -9.838 4.655 1.00 0.57 O ATOM 1044 CG2 THR A 566 8.297 -11.402 6.448 1.00 0.57 C ATOM 0 H THR A 566 6.589 -9.852 7.958 1.00 0.39 H new ATOM 0 HA THR A 566 6.497 -8.642 5.397 1.00 0.40 H new ATOM 0 HB THR A 566 8.555 -9.291 6.648 1.00 0.51 H new ATOM 0 HG1 THR A 566 9.642 -10.068 4.713 1.00 0.57 H new ATOM 0 HG21 THR A 566 9.364 -11.621 6.483 1.00 0.57 H new ATOM 0 HG22 THR A 566 7.873 -11.501 7.447 1.00 0.57 H new ATOM 0 HG23 THR A 566 7.804 -12.103 5.774 1.00 0.57 H new ATOM 1052 N GLU A 567 5.214 -11.615 5.734 1.00 0.38 N ATOM 1053 CA GLU A 567 4.418 -12.654 5.094 1.00 0.40 C ATOM 1054 C GLU A 567 3.277 -12.043 4.283 1.00 0.31 C ATOM 1055 O GLU A 567 2.897 -12.560 3.231 1.00 0.32 O ATOM 1056 CB GLU A 567 3.857 -13.607 6.156 1.00 0.49 C ATOM 1057 CG GLU A 567 2.915 -12.937 7.148 1.00 0.55 C ATOM 1058 CD GLU A 567 2.576 -13.824 8.327 1.00 0.71 C ATOM 1059 OE1 GLU A 567 3.386 -13.898 9.277 1.00 0.89 O ATOM 1060 OE2 GLU A 567 1.500 -14.457 8.308 1.00 0.84 O ATOM 0 H GLU A 567 5.262 -11.696 6.750 1.00 0.38 H new ATOM 0 HA GLU A 567 5.061 -13.211 4.412 1.00 0.40 H new ATOM 0 HB2 GLU A 567 3.327 -14.419 5.658 1.00 0.49 H new ATOM 0 HB3 GLU A 567 4.686 -14.055 6.703 1.00 0.49 H new ATOM 0 HG2 GLU A 567 3.372 -12.017 7.511 1.00 0.55 H new ATOM 0 HG3 GLU A 567 1.995 -12.655 6.635 1.00 0.55 H new ATOM 1067 N ALA A 568 2.750 -10.928 4.775 1.00 0.26 N ATOM 1068 CA ALA A 568 1.630 -10.267 4.138 1.00 0.24 C ATOM 1069 C ALA A 568 2.087 -9.548 2.878 1.00 0.21 C ATOM 1070 O ALA A 568 1.440 -9.629 1.837 1.00 0.22 O ATOM 1071 CB ALA A 568 0.970 -9.297 5.105 1.00 0.25 C ATOM 0 H ALA A 568 3.087 -10.464 5.619 1.00 0.26 H new ATOM 0 HA ALA A 568 0.894 -11.019 3.853 1.00 0.24 H new ATOM 0 HB1 ALA A 568 0.130 -8.807 4.613 1.00 0.25 H new ATOM 0 HB2 ALA A 568 0.611 -9.841 5.979 1.00 0.25 H new ATOM 0 HB3 ALA A 568 1.695 -8.546 5.418 1.00 0.25 H new ATOM 1077 N ALA A 569 3.234 -8.884 2.977 1.00 0.19 N ATOM 1078 CA ALA A 569 3.739 -8.055 1.894 1.00 0.21 C ATOM 1079 C ALA A 569 4.012 -8.868 0.641 1.00 0.22 C ATOM 1080 O ALA A 569 3.613 -8.479 -0.456 1.00 0.24 O ATOM 1081 CB ALA A 569 5.004 -7.338 2.340 1.00 0.23 C ATOM 0 H ALA A 569 3.833 -8.906 3.802 1.00 0.19 H new ATOM 0 HA ALA A 569 2.971 -7.322 1.648 1.00 0.21 H new ATOM 0 HB1 ALA A 569 5.378 -6.719 1.525 1.00 0.23 H new ATOM 0 HB2 ALA A 569 4.781 -6.708 3.201 1.00 0.23 H new ATOM 0 HB3 ALA A 569 5.761 -8.073 2.614 1.00 0.23 H new ATOM 1087 N GLN A 570 4.657 -10.016 0.805 1.00 0.24 N ATOM 1088 CA GLN A 570 5.008 -10.837 -0.342 1.00 0.28 C ATOM 1089 C GLN A 570 3.756 -11.433 -0.975 1.00 0.27 C ATOM 1090 O GLN A 570 3.658 -11.533 -2.195 1.00 0.29 O ATOM 1091 CB GLN A 570 6.000 -11.941 0.041 1.00 0.34 C ATOM 1092 CG GLN A 570 5.459 -12.970 1.021 1.00 0.38 C ATOM 1093 CD GLN A 570 6.437 -14.102 1.261 1.00 0.51 C ATOM 1094 OE1 GLN A 570 7.232 -14.444 0.385 1.00 1.24 O ATOM 1095 NE2 GLN A 570 6.384 -14.696 2.441 1.00 1.04 N ATOM 0 H GLN A 570 4.943 -10.394 1.708 1.00 0.24 H new ATOM 0 HA GLN A 570 5.496 -10.195 -1.075 1.00 0.28 H new ATOM 0 HB2 GLN A 570 6.318 -12.455 -0.866 1.00 0.34 H new ATOM 0 HB3 GLN A 570 6.888 -11.479 0.473 1.00 0.34 H new ATOM 0 HG2 GLN A 570 5.231 -12.482 1.969 1.00 0.38 H new ATOM 0 HG3 GLN A 570 4.523 -13.376 0.639 1.00 0.38 H new ATOM 0 HE21 GLN A 570 5.711 -14.383 3.140 1.00 1.04 H new ATOM 0 HE22 GLN A 570 7.017 -15.468 2.652 1.00 1.04 H new ATOM 1104 N ALA A 571 2.789 -11.793 -0.137 1.00 0.26 N ATOM 1105 CA ALA A 571 1.560 -12.409 -0.609 1.00 0.27 C ATOM 1106 C ALA A 571 0.759 -11.442 -1.464 1.00 0.25 C ATOM 1107 O ALA A 571 0.232 -11.815 -2.511 1.00 0.27 O ATOM 1108 CB ALA A 571 0.729 -12.891 0.568 1.00 0.31 C ATOM 0 H ALA A 571 2.836 -11.667 0.874 1.00 0.26 H new ATOM 0 HA ALA A 571 1.824 -13.266 -1.228 1.00 0.27 H new ATOM 0 HB1 ALA A 571 -0.189 -13.350 0.201 1.00 0.31 H new ATOM 0 HB2 ALA A 571 1.298 -13.624 1.140 1.00 0.31 H new ATOM 0 HB3 ALA A 571 0.480 -12.045 1.209 1.00 0.31 H new ATOM 1114 N MET A 572 0.670 -10.194 -1.019 1.00 0.25 N ATOM 1115 CA MET A 572 -0.081 -9.183 -1.753 1.00 0.28 C ATOM 1116 C MET A 572 0.622 -8.839 -3.057 1.00 0.24 C ATOM 1117 O MET A 572 -0.018 -8.751 -4.105 1.00 0.24 O ATOM 1118 CB MET A 572 -0.277 -7.918 -0.918 1.00 0.37 C ATOM 1119 CG MET A 572 -0.820 -8.191 0.470 1.00 0.47 C ATOM 1120 SD MET A 572 -1.445 -6.714 1.283 1.00 0.36 S ATOM 1121 CE MET A 572 -1.331 -7.213 2.999 1.00 0.33 C ATOM 0 H MET A 572 1.105 -9.860 -0.159 1.00 0.25 H new ATOM 0 HA MET A 572 -1.063 -9.600 -1.976 1.00 0.28 H new ATOM 0 HB2 MET A 572 0.677 -7.398 -0.831 1.00 0.37 H new ATOM 0 HB3 MET A 572 -0.959 -7.248 -1.442 1.00 0.37 H new ATOM 0 HG2 MET A 572 -1.620 -8.928 0.403 1.00 0.47 H new ATOM 0 HG3 MET A 572 -0.033 -8.630 1.082 1.00 0.47 H new ATOM 0 HE1 MET A 572 -1.512 -6.351 3.641 1.00 0.33 H new ATOM 0 HE2 MET A 572 -2.076 -7.982 3.205 1.00 0.33 H new ATOM 0 HE3 MET A 572 -0.336 -7.611 3.197 1.00 0.33 H new ATOM 1131 N VAL A 573 1.941 -8.665 -2.997 1.00 0.24 N ATOM 1132 CA VAL A 573 2.711 -8.344 -4.193 1.00 0.27 C ATOM 1133 C VAL A 573 2.559 -9.447 -5.232 1.00 0.25 C ATOM 1134 O VAL A 573 2.229 -9.177 -6.381 1.00 0.28 O ATOM 1135 CB VAL A 573 4.212 -8.145 -3.876 1.00 0.31 C ATOM 1136 CG1 VAL A 573 5.021 -7.961 -5.153 1.00 0.34 C ATOM 1137 CG2 VAL A 573 4.411 -6.953 -2.952 1.00 0.32 C ATOM 0 H VAL A 573 2.492 -8.740 -2.142 1.00 0.24 H new ATOM 0 HA VAL A 573 2.318 -7.407 -4.587 1.00 0.27 H new ATOM 0 HB VAL A 573 4.569 -9.043 -3.371 1.00 0.31 H new ATOM 0 HG11 VAL A 573 6.072 -7.823 -4.901 1.00 0.34 H new ATOM 0 HG12 VAL A 573 4.912 -8.844 -5.783 1.00 0.34 H new ATOM 0 HG13 VAL A 573 4.659 -7.084 -5.690 1.00 0.34 H new ATOM 0 HG21 VAL A 573 5.473 -6.830 -2.741 1.00 0.32 H new ATOM 0 HG22 VAL A 573 4.030 -6.052 -3.433 1.00 0.32 H new ATOM 0 HG23 VAL A 573 3.873 -7.122 -2.019 1.00 0.32 H new ATOM 1147 N GLN A 574 2.738 -10.691 -4.801 1.00 0.23 N ATOM 1148 CA GLN A 574 2.624 -11.840 -5.697 1.00 0.25 C ATOM 1149 C GLN A 574 1.220 -11.946 -6.273 1.00 0.23 C ATOM 1150 O GLN A 574 1.038 -12.327 -7.432 1.00 0.26 O ATOM 1151 CB GLN A 574 2.988 -13.131 -4.964 1.00 0.28 C ATOM 1152 CG GLN A 574 4.466 -13.237 -4.610 1.00 0.33 C ATOM 1153 CD GLN A 574 5.364 -13.435 -5.821 1.00 1.30 C ATOM 1154 OE1 GLN A 574 5.053 -13.003 -6.933 1.00 2.04 O ATOM 1155 NE2 GLN A 574 6.496 -14.083 -5.608 1.00 2.09 N ATOM 0 H GLN A 574 2.963 -10.931 -3.836 1.00 0.23 H new ATOM 0 HA GLN A 574 3.323 -11.692 -6.520 1.00 0.25 H new ATOM 0 HB2 GLN A 574 2.399 -13.198 -4.050 1.00 0.28 H new ATOM 0 HB3 GLN A 574 2.710 -13.982 -5.585 1.00 0.28 H new ATOM 0 HG2 GLN A 574 4.772 -12.333 -4.084 1.00 0.33 H new ATOM 0 HG3 GLN A 574 4.608 -14.070 -3.921 1.00 0.33 H new ATOM 0 HE21 GLN A 574 6.719 -14.426 -4.674 1.00 2.09 H new ATOM 0 HE22 GLN A 574 7.146 -14.240 -6.378 1.00 2.09 H new ATOM 1164 N TYR A 575 0.231 -11.608 -5.460 1.00 0.20 N ATOM 1165 CA TYR A 575 -1.154 -11.680 -5.889 1.00 0.20 C ATOM 1166 C TYR A 575 -1.421 -10.662 -6.985 1.00 0.20 C ATOM 1167 O TYR A 575 -1.920 -11.011 -8.048 1.00 0.22 O ATOM 1168 CB TYR A 575 -2.102 -11.445 -4.710 1.00 0.20 C ATOM 1169 CG TYR A 575 -3.568 -11.518 -5.080 1.00 0.22 C ATOM 1170 CD1 TYR A 575 -4.298 -10.364 -5.324 1.00 0.26 C ATOM 1171 CD2 TYR A 575 -4.220 -12.741 -5.188 1.00 0.33 C ATOM 1172 CE1 TYR A 575 -5.634 -10.424 -5.665 1.00 0.34 C ATOM 1173 CE2 TYR A 575 -5.557 -12.809 -5.530 1.00 0.40 C ATOM 1174 CZ TYR A 575 -6.261 -11.659 -5.755 1.00 0.39 C ATOM 1175 OH TYR A 575 -7.591 -11.707 -6.107 1.00 0.48 O ATOM 0 H TYR A 575 0.363 -11.282 -4.502 1.00 0.20 H new ATOM 0 HA TYR A 575 -1.336 -12.680 -6.283 1.00 0.20 H new ATOM 0 HB2 TYR A 575 -1.895 -12.185 -3.937 1.00 0.20 H new ATOM 0 HB3 TYR A 575 -1.894 -10.466 -4.279 1.00 0.20 H new ATOM 0 HD1 TYR A 575 -3.813 -9.402 -5.246 1.00 0.26 H new ATOM 0 HD2 TYR A 575 -3.672 -13.653 -5.002 1.00 0.33 H new ATOM 0 HE1 TYR A 575 -6.187 -9.517 -5.860 1.00 0.34 H new ATOM 0 HE2 TYR A 575 -6.045 -13.768 -5.619 1.00 0.40 H new ATOM 0 HH TYR A 575 -7.890 -12.640 -6.130 1.00 0.48 H new ATOM 1185 N TYR A 576 -1.063 -9.411 -6.730 1.00 0.21 N ATOM 1186 CA TYR A 576 -1.328 -8.329 -7.673 1.00 0.25 C ATOM 1187 C TYR A 576 -0.360 -8.324 -8.858 1.00 0.30 C ATOM 1188 O TYR A 576 -0.587 -7.622 -9.844 1.00 0.34 O ATOM 1189 CB TYR A 576 -1.348 -6.981 -6.949 1.00 0.28 C ATOM 1190 CG TYR A 576 -2.494 -6.887 -5.960 1.00 0.26 C ATOM 1191 CD1 TYR A 576 -3.813 -6.870 -6.385 1.00 0.32 C ATOM 1192 CD2 TYR A 576 -2.247 -6.782 -4.598 1.00 0.32 C ATOM 1193 CE1 TYR A 576 -4.856 -6.751 -5.484 1.00 0.31 C ATOM 1194 CE2 TYR A 576 -3.280 -6.668 -3.689 1.00 0.36 C ATOM 1195 CZ TYR A 576 -4.607 -6.781 -4.152 1.00 0.29 C ATOM 1196 OH TYR A 576 -5.612 -6.529 -3.232 1.00 0.35 O ATOM 0 H TYR A 576 -0.587 -9.118 -5.877 1.00 0.21 H new ATOM 0 HA TYR A 576 -2.316 -8.505 -8.098 1.00 0.25 H new ATOM 0 HB2 TYR A 576 -0.403 -6.836 -6.425 1.00 0.28 H new ATOM 0 HB3 TYR A 576 -1.433 -6.177 -7.680 1.00 0.28 H new ATOM 0 HD1 TYR A 576 -4.031 -6.951 -7.440 1.00 0.32 H new ATOM 0 HD2 TYR A 576 -1.227 -6.790 -4.243 1.00 0.32 H new ATOM 0 HE1 TYR A 576 -5.868 -6.634 -5.842 1.00 0.31 H new ATOM 0 HE2 TYR A 576 -3.075 -6.495 -2.643 1.00 0.36 H new ATOM 0 HH TYR A 576 -6.331 -7.186 -3.344 1.00 0.35 H new ATOM 1206 N GLN A 577 0.723 -9.085 -8.765 1.00 0.31 N ATOM 1207 CA GLN A 577 1.585 -9.290 -9.926 1.00 0.38 C ATOM 1208 C GLN A 577 0.857 -10.137 -10.962 1.00 0.37 C ATOM 1209 O GLN A 577 0.905 -9.855 -12.160 1.00 0.42 O ATOM 1210 CB GLN A 577 2.907 -9.965 -9.546 1.00 0.45 C ATOM 1211 CG GLN A 577 3.854 -9.071 -8.762 1.00 0.52 C ATOM 1212 CD GLN A 577 4.229 -7.807 -9.510 1.00 1.04 C ATOM 1213 OE1 GLN A 577 4.303 -7.791 -10.738 1.00 1.89 O ATOM 1214 NE2 GLN A 577 4.457 -6.733 -8.772 1.00 1.57 N ATOM 0 H GLN A 577 1.023 -9.563 -7.916 1.00 0.31 H new ATOM 0 HA GLN A 577 1.820 -8.310 -10.341 1.00 0.38 H new ATOM 0 HB2 GLN A 577 2.692 -10.856 -8.955 1.00 0.45 H new ATOM 0 HB3 GLN A 577 3.407 -10.298 -10.455 1.00 0.45 H new ATOM 0 HG2 GLN A 577 3.389 -8.801 -7.814 1.00 0.52 H new ATOM 0 HG3 GLN A 577 4.760 -9.629 -8.525 1.00 0.52 H new ATOM 0 HE21 GLN A 577 4.385 -6.788 -7.756 1.00 1.57 H new ATOM 0 HE22 GLN A 577 4.704 -5.850 -9.219 1.00 1.57 H new ATOM 1223 N GLU A 578 0.175 -11.178 -10.492 1.00 0.35 N ATOM 1224 CA GLU A 578 -0.588 -12.044 -11.381 1.00 0.38 C ATOM 1225 C GLU A 578 -1.995 -11.496 -11.612 1.00 0.33 C ATOM 1226 O GLU A 578 -2.512 -11.542 -12.729 1.00 0.36 O ATOM 1227 CB GLU A 578 -0.694 -13.448 -10.790 1.00 0.42 C ATOM 1228 CG GLU A 578 0.634 -14.086 -10.443 1.00 0.52 C ATOM 1229 CD GLU A 578 0.458 -15.460 -9.834 1.00 1.24 C ATOM 1230 OE1 GLU A 578 -0.534 -15.672 -9.107 1.00 2.14 O ATOM 1231 OE2 GLU A 578 1.323 -16.334 -10.068 1.00 1.31 O ATOM 0 H GLU A 578 0.136 -11.440 -9.507 1.00 0.35 H new ATOM 0 HA GLU A 578 -0.062 -12.082 -12.335 1.00 0.38 H new ATOM 0 HB2 GLU A 578 -1.308 -13.404 -9.890 1.00 0.42 H new ATOM 0 HB3 GLU A 578 -1.216 -14.089 -11.501 1.00 0.42 H new ATOM 0 HG2 GLU A 578 1.246 -14.163 -11.342 1.00 0.52 H new ATOM 0 HG3 GLU A 578 1.173 -13.446 -9.745 1.00 0.52 H new ATOM 1238 N LYS A 579 -2.606 -10.970 -10.556 1.00 0.29 N ATOM 1239 CA LYS A 579 -3.946 -10.402 -10.634 1.00 0.28 C ATOM 1240 C LYS A 579 -3.967 -9.032 -9.963 1.00 0.25 C ATOM 1241 O LYS A 579 -4.266 -8.925 -8.774 1.00 0.24 O ATOM 1242 CB LYS A 579 -4.976 -11.311 -9.935 1.00 0.31 C ATOM 1243 CG LYS A 579 -4.997 -12.750 -10.428 1.00 0.42 C ATOM 1244 CD LYS A 579 -4.095 -13.646 -9.589 1.00 0.69 C ATOM 1245 CE LYS A 579 -4.041 -15.058 -10.149 1.00 1.69 C ATOM 1246 NZ LYS A 579 -3.210 -15.967 -9.313 1.00 2.46 N ATOM 0 H LYS A 579 -2.188 -10.926 -9.626 1.00 0.29 H new ATOM 0 HA LYS A 579 -4.210 -10.311 -11.688 1.00 0.28 H new ATOM 0 HB2 LYS A 579 -4.771 -11.312 -8.864 1.00 0.31 H new ATOM 0 HB3 LYS A 579 -5.969 -10.881 -10.069 1.00 0.31 H new ATOM 0 HG2 LYS A 579 -6.018 -13.130 -10.397 1.00 0.42 H new ATOM 0 HG3 LYS A 579 -4.676 -12.783 -11.469 1.00 0.42 H new ATOM 0 HD2 LYS A 579 -3.089 -13.226 -9.558 1.00 0.69 H new ATOM 0 HD3 LYS A 579 -4.460 -13.674 -8.562 1.00 0.69 H new ATOM 0 HE2 LYS A 579 -5.053 -15.457 -10.220 1.00 1.69 H new ATOM 0 HE3 LYS A 579 -3.638 -15.030 -11.161 1.00 1.69 H new ATOM 0 HZ1 LYS A 579 -3.463 -16.955 -9.518 1.00 2.46 H new ATOM 0 HZ2 LYS A 579 -2.204 -15.815 -9.530 1.00 2.46 H new ATOM 0 HZ3 LYS A 579 -3.381 -15.767 -8.307 1.00 2.46 H new ATOM 1260 N PRO A 580 -3.641 -7.968 -10.709 1.00 0.26 N ATOM 1261 CA PRO A 580 -3.585 -6.607 -10.163 1.00 0.25 C ATOM 1262 C PRO A 580 -4.950 -6.107 -9.695 1.00 0.22 C ATOM 1263 O PRO A 580 -5.987 -6.637 -10.095 1.00 0.22 O ATOM 1264 CB PRO A 580 -3.082 -5.764 -11.338 1.00 0.27 C ATOM 1265 CG PRO A 580 -3.404 -6.559 -12.553 1.00 0.37 C ATOM 1266 CD PRO A 580 -3.305 -8.001 -12.142 1.00 0.32 C ATOM 0 HA PRO A 580 -2.946 -6.555 -9.281 1.00 0.25 H new ATOM 0 HB2 PRO A 580 -3.572 -4.791 -11.363 1.00 0.27 H new ATOM 0 HB3 PRO A 580 -2.011 -5.580 -11.260 1.00 0.27 H new ATOM 0 HG2 PRO A 580 -4.404 -6.325 -12.919 1.00 0.37 H new ATOM 0 HG3 PRO A 580 -2.708 -6.335 -13.362 1.00 0.37 H new ATOM 0 HD2 PRO A 580 -3.998 -8.628 -12.703 1.00 0.32 H new ATOM 0 HD3 PRO A 580 -2.305 -8.400 -12.312 1.00 0.32 H new ATOM 1274 N ALA A 581 -4.944 -5.087 -8.851 1.00 0.22 N ATOM 1275 CA ALA A 581 -6.184 -4.493 -8.375 1.00 0.22 C ATOM 1276 C ALA A 581 -6.581 -3.357 -9.292 1.00 0.20 C ATOM 1277 O ALA A 581 -5.756 -2.526 -9.641 1.00 0.19 O ATOM 1278 CB ALA A 581 -6.019 -3.982 -6.955 1.00 0.27 C ATOM 0 H ALA A 581 -4.097 -4.654 -8.482 1.00 0.22 H new ATOM 0 HA ALA A 581 -6.965 -5.253 -8.377 1.00 0.22 H new ATOM 0 HB1 ALA A 581 -6.956 -3.541 -6.616 1.00 0.27 H new ATOM 0 HB2 ALA A 581 -5.749 -4.810 -6.299 1.00 0.27 H new ATOM 0 HB3 ALA A 581 -5.233 -3.227 -6.929 1.00 0.27 H new ATOM 1284 N ILE A 582 -7.830 -3.333 -9.705 1.00 0.23 N ATOM 1285 CA ILE A 582 -8.271 -2.364 -10.689 1.00 0.26 C ATOM 1286 C ILE A 582 -9.161 -1.294 -10.061 1.00 0.28 C ATOM 1287 O ILE A 582 -10.206 -1.597 -9.481 1.00 0.33 O ATOM 1288 CB ILE A 582 -9.016 -3.062 -11.845 1.00 0.35 C ATOM 1289 CG1 ILE A 582 -8.091 -4.079 -12.525 1.00 0.39 C ATOM 1290 CG2 ILE A 582 -9.523 -2.043 -12.852 1.00 0.39 C ATOM 1291 CD1 ILE A 582 -8.755 -4.865 -13.634 1.00 0.51 C ATOM 0 H ILE A 582 -8.556 -3.970 -9.377 1.00 0.23 H new ATOM 0 HA ILE A 582 -7.382 -1.874 -11.086 1.00 0.26 H new ATOM 0 HB ILE A 582 -9.878 -3.589 -11.437 1.00 0.35 H new ATOM 0 HG12 ILE A 582 -7.227 -3.554 -12.932 1.00 0.39 H new ATOM 0 HG13 ILE A 582 -7.717 -4.774 -11.774 1.00 0.39 H new ATOM 0 HG21 ILE A 582 -10.045 -2.557 -13.659 1.00 0.39 H new ATOM 0 HG22 ILE A 582 -10.208 -1.353 -12.358 1.00 0.39 H new ATOM 0 HG23 ILE A 582 -8.680 -1.486 -13.262 1.00 0.39 H new ATOM 0 HD11 ILE A 582 -8.037 -5.563 -14.065 1.00 0.51 H new ATOM 0 HD12 ILE A 582 -9.602 -5.419 -13.230 1.00 0.51 H new ATOM 0 HD13 ILE A 582 -9.105 -4.180 -14.407 1.00 0.51 H new ATOM 1303 N ILE A 583 -8.726 -0.046 -10.175 1.00 0.28 N ATOM 1304 CA ILE A 583 -9.496 1.100 -9.708 1.00 0.33 C ATOM 1305 C ILE A 583 -9.714 2.061 -10.870 1.00 0.36 C ATOM 1306 O ILE A 583 -8.749 2.570 -11.437 1.00 0.35 O ATOM 1307 CB ILE A 583 -8.781 1.860 -8.566 1.00 0.32 C ATOM 1308 CG1 ILE A 583 -8.628 0.977 -7.322 1.00 0.32 C ATOM 1309 CG2 ILE A 583 -9.539 3.136 -8.225 1.00 0.38 C ATOM 1310 CD1 ILE A 583 -9.936 0.640 -6.639 1.00 0.51 C ATOM 0 H ILE A 583 -7.829 0.201 -10.594 1.00 0.28 H new ATOM 0 HA ILE A 583 -10.444 0.724 -9.322 1.00 0.33 H new ATOM 0 HB ILE A 583 -7.782 2.126 -8.911 1.00 0.32 H new ATOM 0 HG12 ILE A 583 -8.130 0.050 -7.606 1.00 0.32 H new ATOM 0 HG13 ILE A 583 -7.978 1.483 -6.608 1.00 0.32 H new ATOM 0 HG21 ILE A 583 -9.025 3.661 -7.420 1.00 0.38 H new ATOM 0 HG22 ILE A 583 -9.585 3.778 -9.105 1.00 0.38 H new ATOM 0 HG23 ILE A 583 -10.550 2.884 -7.906 1.00 0.38 H new ATOM 0 HD11 ILE A 583 -9.741 0.013 -5.769 1.00 0.51 H new ATOM 0 HD12 ILE A 583 -10.428 1.559 -6.321 1.00 0.51 H new ATOM 0 HD13 ILE A 583 -10.582 0.105 -7.335 1.00 0.51 H new ATOM 1322 N ASN A 584 -10.975 2.279 -11.236 1.00 0.41 N ATOM 1323 CA ASN A 584 -11.328 3.130 -12.377 1.00 0.47 C ATOM 1324 C ASN A 584 -10.712 2.581 -13.654 1.00 0.45 C ATOM 1325 O ASN A 584 -10.354 3.330 -14.561 1.00 0.50 O ATOM 1326 CB ASN A 584 -10.863 4.582 -12.185 1.00 0.55 C ATOM 1327 CG ASN A 584 -11.494 5.270 -10.995 1.00 0.62 C ATOM 1328 OD1 ASN A 584 -12.575 4.900 -10.543 1.00 1.10 O ATOM 1329 ND2 ASN A 584 -10.830 6.301 -10.500 1.00 0.91 N ATOM 0 H ASN A 584 -11.779 1.875 -10.755 1.00 0.41 H new ATOM 0 HA ASN A 584 -12.416 3.126 -12.449 1.00 0.47 H new ATOM 0 HB2 ASN A 584 -9.779 4.595 -12.068 1.00 0.55 H new ATOM 0 HB3 ASN A 584 -11.093 5.150 -13.086 1.00 0.55 H new ATOM 0 HD21 ASN A 584 -11.213 6.823 -9.712 1.00 0.91 H new ATOM 0 HD22 ASN A 584 -9.935 6.574 -10.906 1.00 0.91 H new ATOM 1336 N GLY A 585 -10.592 1.264 -13.717 1.00 0.42 N ATOM 1337 CA GLY A 585 -10.016 0.625 -14.880 1.00 0.44 C ATOM 1338 C GLY A 585 -8.496 0.628 -14.867 1.00 0.39 C ATOM 1339 O GLY A 585 -7.865 0.112 -15.790 1.00 0.42 O ATOM 0 H GLY A 585 -10.885 0.624 -12.979 1.00 0.42 H new ATOM 0 HA2 GLY A 585 -10.371 -0.404 -14.936 1.00 0.44 H new ATOM 0 HA3 GLY A 585 -10.367 1.133 -15.778 1.00 0.44 H new ATOM 1343 N GLU A 586 -7.906 1.181 -13.815 1.00 0.35 N ATOM 1344 CA GLU A 586 -6.456 1.282 -13.719 1.00 0.32 C ATOM 1345 C GLU A 586 -5.899 0.209 -12.784 1.00 0.24 C ATOM 1346 O GLU A 586 -6.351 0.070 -11.647 1.00 0.26 O ATOM 1347 CB GLU A 586 -6.056 2.668 -13.213 1.00 0.43 C ATOM 1348 CG GLU A 586 -6.601 3.814 -14.055 1.00 0.57 C ATOM 1349 CD GLU A 586 -6.083 3.798 -15.479 1.00 0.91 C ATOM 1350 OE1 GLU A 586 -4.886 4.083 -15.685 1.00 0.90 O ATOM 1351 OE2 GLU A 586 -6.871 3.519 -16.406 1.00 1.79 O ATOM 0 H GLU A 586 -8.410 1.566 -13.016 1.00 0.35 H new ATOM 0 HA GLU A 586 -6.037 1.129 -14.714 1.00 0.32 H new ATOM 0 HB2 GLU A 586 -6.407 2.785 -12.188 1.00 0.43 H new ATOM 0 HB3 GLU A 586 -4.968 2.735 -13.187 1.00 0.43 H new ATOM 0 HG2 GLU A 586 -7.690 3.762 -14.069 1.00 0.57 H new ATOM 0 HG3 GLU A 586 -6.333 4.761 -13.587 1.00 0.57 H new ATOM 1358 N LYS A 587 -4.936 -0.555 -13.286 1.00 0.21 N ATOM 1359 CA LYS A 587 -4.281 -1.606 -12.506 1.00 0.19 C ATOM 1360 C LYS A 587 -3.306 -1.029 -11.485 1.00 0.17 C ATOM 1361 O LYS A 587 -2.408 -0.262 -11.831 1.00 0.22 O ATOM 1362 CB LYS A 587 -3.529 -2.554 -13.438 1.00 0.23 C ATOM 1363 CG LYS A 587 -4.418 -3.255 -14.450 1.00 0.33 C ATOM 1364 CD LYS A 587 -3.594 -4.053 -15.444 1.00 1.14 C ATOM 1365 CE LYS A 587 -4.469 -4.765 -16.461 1.00 1.10 C ATOM 1366 NZ LYS A 587 -3.658 -5.424 -17.516 1.00 1.67 N ATOM 0 H LYS A 587 -4.586 -0.467 -14.240 1.00 0.21 H new ATOM 0 HA LYS A 587 -5.059 -2.147 -11.967 1.00 0.19 H new ATOM 0 HB2 LYS A 587 -2.762 -1.992 -13.971 1.00 0.23 H new ATOM 0 HB3 LYS A 587 -3.015 -3.305 -12.839 1.00 0.23 H new ATOM 0 HG2 LYS A 587 -5.110 -3.919 -13.932 1.00 0.33 H new ATOM 0 HG3 LYS A 587 -5.020 -2.518 -14.981 1.00 0.33 H new ATOM 0 HD2 LYS A 587 -2.904 -3.387 -15.962 1.00 1.14 H new ATOM 0 HD3 LYS A 587 -2.989 -4.785 -14.909 1.00 1.14 H new ATOM 0 HE2 LYS A 587 -5.083 -5.510 -15.955 1.00 1.10 H new ATOM 0 HE3 LYS A 587 -5.151 -4.049 -16.920 1.00 1.10 H new ATOM 0 HZ1 LYS A 587 -4.289 -5.900 -18.192 1.00 1.67 H new ATOM 0 HZ2 LYS A 587 -3.091 -4.709 -18.015 1.00 1.67 H new ATOM 0 HZ3 LYS A 587 -3.025 -6.125 -17.080 1.00 1.67 H new ATOM 1380 N LEU A 588 -3.486 -1.411 -10.231 1.00 0.15 N ATOM 1381 CA LEU A 588 -2.622 -0.970 -9.150 1.00 0.15 C ATOM 1382 C LEU A 588 -1.429 -1.906 -9.005 1.00 0.17 C ATOM 1383 O LEU A 588 -1.566 -3.125 -9.129 1.00 0.21 O ATOM 1384 CB LEU A 588 -3.402 -0.942 -7.837 1.00 0.16 C ATOM 1385 CG LEU A 588 -4.733 -0.191 -7.883 1.00 0.18 C ATOM 1386 CD1 LEU A 588 -5.392 -0.196 -6.516 1.00 0.24 C ATOM 1387 CD2 LEU A 588 -4.537 1.229 -8.376 1.00 0.16 C ATOM 0 H LEU A 588 -4.236 -2.036 -9.935 1.00 0.15 H new ATOM 0 HA LEU A 588 -2.263 0.032 -9.384 1.00 0.15 H new ATOM 0 HB2 LEU A 588 -3.594 -1.969 -7.526 1.00 0.16 H new ATOM 0 HB3 LEU A 588 -2.774 -0.488 -7.070 1.00 0.16 H new ATOM 0 HG LEU A 588 -5.389 -0.704 -8.586 1.00 0.18 H new ATOM 0 HD11 LEU A 588 -6.338 0.343 -6.566 1.00 0.24 H new ATOM 0 HD12 LEU A 588 -5.576 -1.224 -6.205 1.00 0.24 H new ATOM 0 HD13 LEU A 588 -4.736 0.290 -5.794 1.00 0.24 H new ATOM 0 HD21 LEU A 588 -5.498 1.742 -8.400 1.00 0.16 H new ATOM 0 HD22 LEU A 588 -3.860 1.757 -7.704 1.00 0.16 H new ATOM 0 HD23 LEU A 588 -4.111 1.210 -9.379 1.00 0.16 H new ATOM 1399 N LEU A 589 -0.269 -1.333 -8.734 1.00 0.17 N ATOM 1400 CA LEU A 589 0.951 -2.113 -8.585 1.00 0.19 C ATOM 1401 C LEU A 589 1.450 -2.075 -7.142 1.00 0.18 C ATOM 1402 O LEU A 589 1.884 -1.028 -6.663 1.00 0.18 O ATOM 1403 CB LEU A 589 2.036 -1.574 -9.519 1.00 0.23 C ATOM 1404 CG LEU A 589 3.375 -2.306 -9.453 1.00 0.30 C ATOM 1405 CD1 LEU A 589 3.251 -3.700 -10.044 1.00 0.37 C ATOM 1406 CD2 LEU A 589 4.453 -1.514 -10.173 1.00 0.38 C ATOM 0 H LEU A 589 -0.145 -0.328 -8.612 1.00 0.17 H new ATOM 0 HA LEU A 589 0.727 -3.147 -8.848 1.00 0.19 H new ATOM 0 HB2 LEU A 589 1.666 -1.619 -10.543 1.00 0.23 H new ATOM 0 HB3 LEU A 589 2.203 -0.522 -9.286 1.00 0.23 H new ATOM 0 HG LEU A 589 3.662 -2.402 -8.406 1.00 0.30 H new ATOM 0 HD11 LEU A 589 4.215 -4.206 -9.988 1.00 0.37 H new ATOM 0 HD12 LEU A 589 2.510 -4.269 -9.483 1.00 0.37 H new ATOM 0 HD13 LEU A 589 2.939 -3.627 -11.086 1.00 0.37 H new ATOM 0 HD21 LEU A 589 5.399 -2.052 -10.115 1.00 0.38 H new ATOM 0 HD22 LEU A 589 4.173 -1.385 -11.218 1.00 0.38 H new ATOM 0 HD23 LEU A 589 4.562 -0.537 -9.703 1.00 0.38 H new ATOM 1418 N ILE A 590 1.384 -3.203 -6.451 1.00 0.18 N ATOM 1419 CA ILE A 590 1.924 -3.294 -5.099 1.00 0.18 C ATOM 1420 C ILE A 590 3.283 -3.990 -5.120 1.00 0.20 C ATOM 1421 O ILE A 590 3.411 -5.095 -5.647 1.00 0.26 O ATOM 1422 CB ILE A 590 0.968 -4.050 -4.143 1.00 0.19 C ATOM 1423 CG1 ILE A 590 -0.405 -3.363 -4.109 1.00 0.19 C ATOM 1424 CG2 ILE A 590 1.563 -4.129 -2.741 1.00 0.19 C ATOM 1425 CD1 ILE A 590 -1.335 -3.880 -3.026 1.00 0.21 C ATOM 0 H ILE A 590 0.965 -4.065 -6.800 1.00 0.18 H new ATOM 0 HA ILE A 590 2.036 -2.276 -4.726 1.00 0.18 H new ATOM 0 HB ILE A 590 0.838 -5.066 -4.516 1.00 0.19 H new ATOM 0 HG12 ILE A 590 -0.259 -2.292 -3.966 1.00 0.19 H new ATOM 0 HG13 ILE A 590 -0.887 -3.492 -5.078 1.00 0.19 H new ATOM 0 HG21 ILE A 590 0.877 -4.664 -2.084 1.00 0.19 H new ATOM 0 HG22 ILE A 590 2.515 -4.658 -2.779 1.00 0.19 H new ATOM 0 HG23 ILE A 590 1.723 -3.122 -2.356 1.00 0.19 H new ATOM 0 HD11 ILE A 590 -2.282 -3.342 -3.072 1.00 0.21 H new ATOM 0 HD12 ILE A 590 -1.515 -4.944 -3.178 1.00 0.21 H new ATOM 0 HD13 ILE A 590 -0.877 -3.726 -2.049 1.00 0.21 H new ATOM 1437 N ARG A 591 4.294 -3.330 -4.557 1.00 0.18 N ATOM 1438 CA ARG A 591 5.656 -3.857 -4.536 1.00 0.22 C ATOM 1439 C ARG A 591 6.382 -3.414 -3.270 1.00 0.18 C ATOM 1440 O ARG A 591 5.951 -2.484 -2.590 1.00 0.19 O ATOM 1441 CB ARG A 591 6.449 -3.384 -5.761 1.00 0.33 C ATOM 1442 CG ARG A 591 6.056 -4.070 -7.060 1.00 0.45 C ATOM 1443 CD ARG A 591 6.923 -3.611 -8.221 1.00 0.65 C ATOM 1444 NE ARG A 591 8.339 -3.899 -8.000 1.00 1.33 N ATOM 1445 CZ ARG A 591 9.225 -4.079 -8.979 1.00 1.69 C ATOM 1446 NH1 ARG A 591 8.843 -4.017 -10.246 1.00 1.56 N ATOM 1447 NH2 ARG A 591 10.495 -4.323 -8.686 1.00 2.62 N ATOM 0 H ARG A 591 4.193 -2.421 -4.106 1.00 0.18 H new ATOM 0 HA ARG A 591 5.587 -4.945 -4.555 1.00 0.22 H new ATOM 0 HB2 ARG A 591 6.313 -2.309 -5.875 1.00 0.33 H new ATOM 0 HB3 ARG A 591 7.511 -3.553 -5.580 1.00 0.33 H new ATOM 0 HG2 ARG A 591 6.146 -5.150 -6.943 1.00 0.45 H new ATOM 0 HG3 ARG A 591 5.010 -3.859 -7.281 1.00 0.45 H new ATOM 0 HD2 ARG A 591 6.592 -4.103 -9.136 1.00 0.65 H new ATOM 0 HD3 ARG A 591 6.791 -2.539 -8.370 1.00 0.65 H new ATOM 0 HE ARG A 591 8.669 -3.966 -7.037 1.00 1.33 H new ATOM 0 HH11 ARG A 591 7.867 -3.831 -10.476 1.00 1.56 H new ATOM 0 HH12 ARG A 591 9.525 -4.155 -10.992 1.00 1.56 H new ATOM 0 HH21 ARG A 591 10.793 -4.373 -7.712 1.00 2.62 H new ATOM 0 HH22 ARG A 591 11.174 -4.461 -9.435 1.00 2.62 H new ATOM 1461 N MET A 592 7.489 -4.074 -2.967 1.00 0.17 N ATOM 1462 CA MET A 592 8.315 -3.702 -1.826 1.00 0.18 C ATOM 1463 C MET A 592 9.230 -2.552 -2.223 1.00 0.21 C ATOM 1464 O MET A 592 9.746 -2.528 -3.342 1.00 0.29 O ATOM 1465 CB MET A 592 9.132 -4.898 -1.343 1.00 0.19 C ATOM 1466 CG MET A 592 8.271 -6.032 -0.824 1.00 0.22 C ATOM 1467 SD MET A 592 9.236 -7.430 -0.226 1.00 0.29 S ATOM 1468 CE MET A 592 7.921 -8.506 0.329 1.00 0.34 C ATOM 0 H MET A 592 7.838 -4.873 -3.497 1.00 0.17 H new ATOM 0 HA MET A 592 7.673 -3.383 -1.005 1.00 0.18 H new ATOM 0 HB2 MET A 592 9.750 -5.264 -2.163 1.00 0.19 H new ATOM 0 HB3 MET A 592 9.810 -4.573 -0.554 1.00 0.19 H new ATOM 0 HG2 MET A 592 7.639 -5.661 -0.017 1.00 0.22 H new ATOM 0 HG3 MET A 592 7.606 -6.370 -1.619 1.00 0.22 H new ATOM 0 HE1 MET A 592 8.150 -8.875 1.329 1.00 0.34 H new ATOM 0 HE2 MET A 592 6.983 -7.952 0.353 1.00 0.34 H new ATOM 0 HE3 MET A 592 7.827 -9.349 -0.356 1.00 0.34 H new ATOM 1478 N SER A 593 9.424 -1.599 -1.327 1.00 0.23 N ATOM 1479 CA SER A 593 10.172 -0.396 -1.661 1.00 0.26 C ATOM 1480 C SER A 593 11.666 -0.585 -1.442 1.00 0.25 C ATOM 1481 O SER A 593 12.095 -1.153 -0.440 1.00 0.27 O ATOM 1482 CB SER A 593 9.658 0.778 -0.848 1.00 0.34 C ATOM 1483 OG SER A 593 8.265 0.932 -1.037 1.00 1.37 O ATOM 0 H SER A 593 9.077 -1.633 -0.368 1.00 0.23 H new ATOM 0 HA SER A 593 10.021 -0.189 -2.721 1.00 0.26 H new ATOM 0 HB2 SER A 593 9.873 0.620 0.209 1.00 0.34 H new ATOM 0 HB3 SER A 593 10.176 1.690 -1.146 1.00 0.34 H new ATOM 0 HG SER A 593 7.977 0.390 -1.801 1.00 1.37 H new ATOM 1489 N THR A 594 12.438 -0.098 -2.400 1.00 0.27 N ATOM 1490 CA THR A 594 13.879 -0.278 -2.404 1.00 0.30 C ATOM 1491 C THR A 594 14.624 0.865 -1.708 1.00 0.31 C ATOM 1492 O THR A 594 15.810 0.739 -1.400 1.00 0.33 O ATOM 1493 CB THR A 594 14.398 -0.429 -3.844 1.00 0.35 C ATOM 1494 OG1 THR A 594 13.842 0.598 -4.677 1.00 0.38 O ATOM 1495 CG2 THR A 594 14.039 -1.796 -4.405 1.00 0.38 C ATOM 0 H THR A 594 12.083 0.433 -3.196 1.00 0.27 H new ATOM 0 HA THR A 594 14.078 -1.189 -1.839 1.00 0.30 H new ATOM 0 HB THR A 594 15.484 -0.333 -3.829 1.00 0.35 H new ATOM 0 HG1 THR A 594 14.179 0.496 -5.592 1.00 0.38 H new ATOM 0 HG21 THR A 594 14.416 -1.881 -5.424 1.00 0.38 H new ATOM 0 HG22 THR A 594 14.488 -2.573 -3.786 1.00 0.38 H new ATOM 0 HG23 THR A 594 12.956 -1.915 -4.407 1.00 0.38 H new ATOM 1503 N ARG A 595 13.935 1.970 -1.445 1.00 0.32 N ATOM 1504 CA ARG A 595 14.616 3.179 -0.978 1.00 0.37 C ATOM 1505 C ARG A 595 14.466 3.397 0.527 1.00 0.37 C ATOM 1506 O ARG A 595 15.338 3.989 1.162 1.00 0.41 O ATOM 1507 CB ARG A 595 14.097 4.396 -1.738 1.00 0.41 C ATOM 1508 CG ARG A 595 14.247 4.267 -3.242 1.00 0.46 C ATOM 1509 CD ARG A 595 13.727 5.495 -3.958 1.00 0.56 C ATOM 1510 NE ARG A 595 13.689 5.298 -5.403 1.00 1.36 N ATOM 1511 CZ ARG A 595 13.089 6.127 -6.250 1.00 1.67 C ATOM 1512 NH1 ARG A 595 12.503 7.229 -5.803 1.00 1.16 N ATOM 1513 NH2 ARG A 595 13.082 5.857 -7.546 1.00 2.75 N ATOM 0 H ARG A 595 12.924 2.057 -1.544 1.00 0.32 H new ATOM 0 HA ARG A 595 15.679 3.044 -1.176 1.00 0.37 H new ATOM 0 HB2 ARG A 595 13.045 4.547 -1.495 1.00 0.41 H new ATOM 0 HB3 ARG A 595 14.632 5.283 -1.400 1.00 0.41 H new ATOM 0 HG2 ARG A 595 15.297 4.116 -3.492 1.00 0.46 H new ATOM 0 HG3 ARG A 595 13.707 3.386 -3.589 1.00 0.46 H new ATOM 0 HD2 ARG A 595 12.726 5.732 -3.596 1.00 0.56 H new ATOM 0 HD3 ARG A 595 14.361 6.350 -3.723 1.00 0.56 H new ATOM 0 HE ARG A 595 14.151 4.474 -5.786 1.00 1.36 H new ATOM 0 HH11 ARG A 595 12.512 7.443 -4.806 1.00 1.16 H new ATOM 0 HH12 ARG A 595 12.043 7.863 -6.456 1.00 1.16 H new ATOM 0 HH21 ARG A 595 13.537 5.013 -7.894 1.00 2.75 H new ATOM 0 HH22 ARG A 595 12.621 6.493 -8.197 1.00 2.75 H new ATOM 1527 N TYR A 596 13.369 2.924 1.101 1.00 0.35 N ATOM 1528 CA TYR A 596 13.122 3.119 2.526 1.00 0.37 C ATOM 1529 C TYR A 596 12.806 1.803 3.222 1.00 0.35 C ATOM 1530 O TYR A 596 12.267 0.881 2.610 1.00 0.36 O ATOM 1531 CB TYR A 596 11.985 4.121 2.745 1.00 0.39 C ATOM 1532 CG TYR A 596 12.347 5.542 2.369 1.00 0.43 C ATOM 1533 CD1 TYR A 596 12.011 6.064 1.128 1.00 0.48 C ATOM 1534 CD2 TYR A 596 13.029 6.363 3.259 1.00 0.54 C ATOM 1535 CE1 TYR A 596 12.341 7.362 0.785 1.00 0.54 C ATOM 1536 CE2 TYR A 596 13.363 7.660 2.923 1.00 0.61 C ATOM 1537 CZ TYR A 596 13.017 8.155 1.685 1.00 0.56 C ATOM 1538 OH TYR A 596 13.342 9.452 1.348 1.00 0.65 O ATOM 0 H TYR A 596 12.641 2.407 0.609 1.00 0.35 H new ATOM 0 HA TYR A 596 14.035 3.521 2.966 1.00 0.37 H new ATOM 0 HB2 TYR A 596 11.120 3.809 2.160 1.00 0.39 H new ATOM 0 HB3 TYR A 596 11.687 4.096 3.793 1.00 0.39 H new ATOM 0 HD1 TYR A 596 11.482 5.446 0.418 1.00 0.48 H new ATOM 0 HD2 TYR A 596 13.303 5.980 4.231 1.00 0.54 H new ATOM 0 HE1 TYR A 596 12.070 7.752 -0.185 1.00 0.54 H new ATOM 0 HE2 TYR A 596 13.893 8.284 3.628 1.00 0.61 H new ATOM 0 HH TYR A 596 13.816 9.875 2.094 1.00 0.65 H new ATOM 1548 N LYS A 597 13.185 1.717 4.493 1.00 0.38 N ATOM 1549 CA LYS A 597 12.952 0.522 5.296 1.00 0.41 C ATOM 1550 C LYS A 597 11.913 0.740 6.391 1.00 0.41 C ATOM 1551 O LYS A 597 11.544 -0.204 7.085 1.00 0.48 O ATOM 1552 CB LYS A 597 14.255 0.002 5.898 1.00 0.50 C ATOM 1553 CG LYS A 597 15.174 -0.644 4.870 1.00 0.62 C ATOM 1554 CD LYS A 597 16.576 -0.056 4.892 1.00 1.29 C ATOM 1555 CE LYS A 597 16.593 1.381 4.392 1.00 1.67 C ATOM 1556 NZ LYS A 597 17.976 1.887 4.195 1.00 2.18 N ATOM 0 H LYS A 597 13.660 2.469 4.993 1.00 0.38 H new ATOM 0 HA LYS A 597 12.550 -0.230 4.617 1.00 0.41 H new ATOM 0 HB2 LYS A 597 14.781 0.827 6.378 1.00 0.50 H new ATOM 0 HB3 LYS A 597 14.024 -0.725 6.677 1.00 0.50 H new ATOM 0 HG2 LYS A 597 15.230 -1.716 5.060 1.00 0.62 H new ATOM 0 HG3 LYS A 597 14.746 -0.519 3.875 1.00 0.62 H new ATOM 0 HD2 LYS A 597 16.970 -0.092 5.908 1.00 1.29 H new ATOM 0 HD3 LYS A 597 17.235 -0.664 4.273 1.00 1.29 H new ATOM 0 HE2 LYS A 597 16.047 1.444 3.451 1.00 1.67 H new ATOM 0 HE3 LYS A 597 16.072 2.019 5.106 1.00 1.67 H new ATOM 0 HZ1 LYS A 597 17.941 2.869 3.854 1.00 2.18 H new ATOM 0 HZ2 LYS A 597 18.490 1.852 5.098 1.00 2.18 H new ATOM 0 HZ3 LYS A 597 18.466 1.295 3.495 1.00 2.18 H new ATOM 1570 N GLU A 598 11.453 1.971 6.574 1.00 0.38 N ATOM 1571 CA GLU A 598 10.473 2.252 7.616 1.00 0.41 C ATOM 1572 C GLU A 598 9.461 3.288 7.146 1.00 0.34 C ATOM 1573 O GLU A 598 9.767 4.146 6.315 1.00 0.33 O ATOM 1574 CB GLU A 598 11.179 2.758 8.880 1.00 0.55 C ATOM 1575 CG GLU A 598 10.237 3.087 10.033 1.00 0.62 C ATOM 1576 CD GLU A 598 10.954 3.716 11.208 1.00 0.80 C ATOM 1577 OE1 GLU A 598 11.410 2.971 12.103 1.00 0.95 O ATOM 1578 OE2 GLU A 598 11.073 4.959 11.243 1.00 0.91 O ATOM 0 H GLU A 598 11.738 2.781 6.023 1.00 0.38 H new ATOM 0 HA GLU A 598 9.943 1.326 7.842 1.00 0.41 H new ATOM 0 HB2 GLU A 598 11.891 2.003 9.212 1.00 0.55 H new ATOM 0 HB3 GLU A 598 11.754 3.650 8.629 1.00 0.55 H new ATOM 0 HG2 GLU A 598 9.460 3.765 9.680 1.00 0.62 H new ATOM 0 HG3 GLU A 598 9.739 2.175 10.362 1.00 0.62 H new ATOM 1585 N LEU A 599 8.256 3.186 7.684 1.00 0.36 N ATOM 1586 CA LEU A 599 7.198 4.139 7.398 1.00 0.32 C ATOM 1587 C LEU A 599 6.757 4.849 8.665 1.00 0.33 C ATOM 1588 O LEU A 599 6.349 4.213 9.638 1.00 0.37 O ATOM 1589 CB LEU A 599 6.005 3.439 6.741 1.00 0.33 C ATOM 1590 CG LEU A 599 6.320 2.745 5.416 1.00 0.37 C ATOM 1591 CD1 LEU A 599 5.073 2.125 4.817 1.00 0.45 C ATOM 1592 CD2 LEU A 599 6.940 3.723 4.434 1.00 0.33 C ATOM 0 H LEU A 599 7.986 2.443 8.328 1.00 0.36 H new ATOM 0 HA LEU A 599 7.591 4.882 6.704 1.00 0.32 H new ATOM 0 HB2 LEU A 599 5.607 2.700 7.437 1.00 0.33 H new ATOM 0 HB3 LEU A 599 5.218 4.174 6.572 1.00 0.33 H new ATOM 0 HG LEU A 599 7.037 1.949 5.618 1.00 0.37 H new ATOM 0 HD11 LEU A 599 5.325 1.638 3.875 1.00 0.45 H new ATOM 0 HD12 LEU A 599 4.665 1.388 5.509 1.00 0.45 H new ATOM 0 HD13 LEU A 599 4.331 2.903 4.636 1.00 0.45 H new ATOM 0 HD21 LEU A 599 7.157 3.210 3.497 1.00 0.33 H new ATOM 0 HD22 LEU A 599 6.244 4.541 4.247 1.00 0.33 H new ATOM 0 HD23 LEU A 599 7.865 4.121 4.852 1.00 0.33 H new ATOM 1604 N GLN A 600 6.865 6.165 8.656 1.00 0.36 N ATOM 1605 CA GLN A 600 6.428 6.971 9.779 1.00 0.44 C ATOM 1606 C GLN A 600 5.249 7.832 9.354 1.00 0.39 C ATOM 1607 O GLN A 600 5.307 8.504 8.325 1.00 0.43 O ATOM 1608 CB GLN A 600 7.564 7.858 10.290 1.00 0.59 C ATOM 1609 CG GLN A 600 7.200 8.648 11.538 1.00 0.85 C ATOM 1610 CD GLN A 600 8.282 9.623 11.951 1.00 1.10 C ATOM 1611 OE1 GLN A 600 9.188 9.282 12.711 1.00 1.52 O ATOM 1612 NE2 GLN A 600 8.189 10.848 11.462 1.00 1.34 N ATOM 0 H GLN A 600 7.254 6.700 7.879 1.00 0.36 H new ATOM 0 HA GLN A 600 6.126 6.307 10.589 1.00 0.44 H new ATOM 0 HB2 GLN A 600 8.433 7.235 10.504 1.00 0.59 H new ATOM 0 HB3 GLN A 600 7.855 8.552 9.502 1.00 0.59 H new ATOM 0 HG2 GLN A 600 6.274 9.194 11.359 1.00 0.85 H new ATOM 0 HG3 GLN A 600 7.009 7.956 12.358 1.00 0.85 H new ATOM 0 HE21 GLN A 600 7.422 11.090 10.835 1.00 1.34 H new ATOM 0 HE22 GLN A 600 8.884 11.551 11.712 1.00 1.34 H new ATOM 1621 N LEU A 601 4.179 7.811 10.130 1.00 0.37 N ATOM 1622 CA LEU A 601 2.999 8.591 9.797 1.00 0.34 C ATOM 1623 C LEU A 601 3.193 10.055 10.175 1.00 0.39 C ATOM 1624 O LEU A 601 2.982 10.448 11.324 1.00 0.46 O ATOM 1625 CB LEU A 601 1.753 8.026 10.485 1.00 0.36 C ATOM 1626 CG LEU A 601 1.397 6.584 10.113 1.00 0.34 C ATOM 1627 CD1 LEU A 601 0.035 6.212 10.676 1.00 0.46 C ATOM 1628 CD2 LEU A 601 1.418 6.395 8.605 1.00 0.32 C ATOM 0 H LEU A 601 4.102 7.267 10.989 1.00 0.37 H new ATOM 0 HA LEU A 601 2.853 8.527 8.719 1.00 0.34 H new ATOM 0 HB2 LEU A 601 1.898 8.080 11.564 1.00 0.36 H new ATOM 0 HB3 LEU A 601 0.904 8.666 10.245 1.00 0.36 H new ATOM 0 HG LEU A 601 2.146 5.924 10.550 1.00 0.34 H new ATOM 0 HD11 LEU A 601 -0.203 5.184 10.403 1.00 0.46 H new ATOM 0 HD12 LEU A 601 0.053 6.304 11.762 1.00 0.46 H new ATOM 0 HD13 LEU A 601 -0.723 6.881 10.268 1.00 0.46 H new ATOM 0 HD21 LEU A 601 1.162 5.363 8.364 1.00 0.32 H new ATOM 0 HD22 LEU A 601 0.693 7.066 8.144 1.00 0.32 H new ATOM 0 HD23 LEU A 601 2.414 6.620 8.224 1.00 0.32 H new ATOM 1640 N LYS A 602 3.622 10.849 9.203 1.00 0.41 N ATOM 1641 CA LYS A 602 3.758 12.288 9.388 1.00 0.48 C ATOM 1642 C LYS A 602 2.389 12.950 9.308 1.00 0.46 C ATOM 1643 O LYS A 602 2.170 14.033 9.844 1.00 0.51 O ATOM 1644 CB LYS A 602 4.699 12.876 8.336 1.00 0.59 C ATOM 1645 CG LYS A 602 6.105 12.298 8.400 1.00 0.69 C ATOM 1646 CD LYS A 602 7.040 12.945 7.390 1.00 0.93 C ATOM 1647 CE LYS A 602 7.272 14.418 7.696 1.00 1.49 C ATOM 1648 NZ LYS A 602 8.320 15.007 6.822 1.00 1.73 N ATOM 0 H LYS A 602 3.883 10.519 8.274 1.00 0.41 H new ATOM 0 HA LYS A 602 4.186 12.479 10.372 1.00 0.48 H new ATOM 0 HB2 LYS A 602 4.284 12.695 7.345 1.00 0.59 H new ATOM 0 HB3 LYS A 602 4.751 13.957 8.468 1.00 0.59 H new ATOM 0 HG2 LYS A 602 6.507 12.435 9.404 1.00 0.69 H new ATOM 0 HG3 LYS A 602 6.063 11.224 8.217 1.00 0.69 H new ATOM 0 HD2 LYS A 602 7.995 12.419 7.390 1.00 0.93 H new ATOM 0 HD3 LYS A 602 6.620 12.844 6.389 1.00 0.93 H new ATOM 0 HE2 LYS A 602 6.340 14.967 7.565 1.00 1.49 H new ATOM 0 HE3 LYS A 602 7.565 14.530 8.740 1.00 1.49 H new ATOM 0 HZ1 LYS A 602 8.448 16.011 7.062 1.00 1.73 H new ATOM 0 HZ2 LYS A 602 9.217 14.500 6.965 1.00 1.73 H new ATOM 0 HZ3 LYS A 602 8.030 14.923 5.827 1.00 1.73 H new ATOM 1662 N LYS A 603 1.476 12.284 8.616 1.00 0.44 N ATOM 1663 CA LYS A 603 0.081 12.690 8.573 1.00 0.48 C ATOM 1664 C LYS A 603 -0.794 11.563 9.104 1.00 0.54 C ATOM 1665 O LYS A 603 -0.677 10.421 8.660 1.00 0.62 O ATOM 1666 CB LYS A 603 -0.365 13.077 7.154 1.00 0.58 C ATOM 1667 CG LYS A 603 0.179 14.412 6.651 1.00 0.65 C ATOM 1668 CD LYS A 603 1.640 14.354 6.227 1.00 0.79 C ATOM 1669 CE LYS A 603 2.127 15.742 5.838 1.00 0.90 C ATOM 1670 NZ LYS A 603 3.523 15.746 5.329 1.00 1.69 N ATOM 0 H LYS A 603 1.682 11.448 8.069 1.00 0.44 H new ATOM 0 HA LYS A 603 -0.028 13.574 9.201 1.00 0.48 H new ATOM 0 HB2 LYS A 603 -0.055 12.292 6.465 1.00 0.58 H new ATOM 0 HB3 LYS A 603 -1.454 13.112 7.128 1.00 0.58 H new ATOM 0 HG2 LYS A 603 -0.423 14.745 5.805 1.00 0.65 H new ATOM 0 HG3 LYS A 603 0.067 15.160 7.436 1.00 0.65 H new ATOM 0 HD2 LYS A 603 2.248 13.962 7.042 1.00 0.79 H new ATOM 0 HD3 LYS A 603 1.756 13.670 5.386 1.00 0.79 H new ATOM 0 HE2 LYS A 603 1.466 16.152 5.074 1.00 0.90 H new ATOM 0 HE3 LYS A 603 2.060 16.400 6.704 1.00 0.90 H new ATOM 0 HZ1 LYS A 603 3.799 16.717 5.080 1.00 1.69 H new ATOM 0 HZ2 LYS A 603 4.162 15.382 6.065 1.00 1.69 H new ATOM 0 HZ3 LYS A 603 3.587 15.141 4.485 1.00 1.69 H new ATOM 1727 N ASN A 607 -9.116 5.180 11.427 1.00 0.65 N ATOM 1728 CA ASN A 607 -8.910 3.874 12.041 1.00 0.48 C ATOM 1729 C ASN A 607 -8.988 2.769 10.991 1.00 0.43 C ATOM 1730 O ASN A 607 -9.964 2.670 10.243 1.00 0.60 O ATOM 1731 CB ASN A 607 -9.957 3.629 13.133 1.00 0.59 C ATOM 1732 CG ASN A 607 -9.622 2.444 14.028 1.00 0.79 C ATOM 1733 OD1 ASN A 607 -8.918 1.517 13.628 1.00 1.28 O ATOM 1734 ND2 ASN A 607 -10.137 2.462 15.246 1.00 1.33 N ATOM 0 HA ASN A 607 -7.917 3.860 12.491 1.00 0.48 H new ATOM 0 HB2 ASN A 607 -10.049 4.525 13.747 1.00 0.59 H new ATOM 0 HB3 ASN A 607 -10.927 3.461 12.666 1.00 0.59 H new ATOM 0 HD21 ASN A 607 -9.955 1.691 15.888 1.00 1.33 H new ATOM 0 HD22 ASN A 607 -10.716 3.247 15.543 1.00 1.33 H new ATOM 1741 N VAL A 608 -7.957 1.939 10.959 1.00 0.30 N ATOM 1742 CA VAL A 608 -7.851 0.867 9.982 1.00 0.22 C ATOM 1743 C VAL A 608 -8.787 -0.299 10.330 1.00 0.21 C ATOM 1744 O VAL A 608 -9.160 -1.092 9.465 1.00 0.21 O ATOM 1745 CB VAL A 608 -6.385 0.384 9.875 1.00 0.19 C ATOM 1746 CG1 VAL A 608 -6.250 -0.793 8.924 1.00 0.19 C ATOM 1747 CG2 VAL A 608 -5.484 1.533 9.438 1.00 0.27 C ATOM 0 H VAL A 608 -7.172 1.989 11.608 1.00 0.30 H new ATOM 0 HA VAL A 608 -8.161 1.258 9.013 1.00 0.22 H new ATOM 0 HB VAL A 608 -6.072 0.043 10.862 1.00 0.19 H new ATOM 0 HG11 VAL A 608 -5.206 -1.104 8.875 1.00 0.19 H new ATOM 0 HG12 VAL A 608 -6.859 -1.623 9.283 1.00 0.19 H new ATOM 0 HG13 VAL A 608 -6.588 -0.498 7.930 1.00 0.19 H new ATOM 0 HG21 VAL A 608 -4.455 1.181 9.366 1.00 0.27 H new ATOM 0 HG22 VAL A 608 -5.810 1.902 8.465 1.00 0.27 H new ATOM 0 HG23 VAL A 608 -5.542 2.339 10.169 1.00 0.27 H new ATOM 1757 N ALA A 609 -9.189 -0.386 11.594 1.00 0.28 N ATOM 1758 CA ALA A 609 -10.129 -1.418 12.026 1.00 0.33 C ATOM 1759 C ALA A 609 -11.487 -1.210 11.361 1.00 0.32 C ATOM 1760 O ALA A 609 -12.159 -2.167 10.961 1.00 0.32 O ATOM 1761 CB ALA A 609 -10.269 -1.411 13.539 1.00 0.44 C ATOM 0 H ALA A 609 -8.881 0.243 12.336 1.00 0.28 H new ATOM 0 HA ALA A 609 -9.740 -2.390 11.723 1.00 0.33 H new ATOM 0 HB1 ALA A 609 -10.973 -2.186 13.843 1.00 0.44 H new ATOM 0 HB2 ALA A 609 -9.298 -1.604 13.995 1.00 0.44 H new ATOM 0 HB3 ALA A 609 -10.637 -0.438 13.866 1.00 0.44 H new ATOM 1767 N ALA A 610 -11.868 0.055 11.222 1.00 0.33 N ATOM 1768 CA ALA A 610 -13.103 0.415 10.543 1.00 0.35 C ATOM 1769 C ALA A 610 -13.041 -0.019 9.086 1.00 0.30 C ATOM 1770 O ALA A 610 -14.053 -0.362 8.481 1.00 0.31 O ATOM 1771 CB ALA A 610 -13.341 1.916 10.643 1.00 0.40 C ATOM 0 H ALA A 610 -11.335 0.850 11.573 1.00 0.33 H new ATOM 0 HA ALA A 610 -13.935 -0.099 11.025 1.00 0.35 H new ATOM 0 HB1 ALA A 610 -14.268 2.172 10.131 1.00 0.40 H new ATOM 0 HB2 ALA A 610 -13.414 2.204 11.692 1.00 0.40 H new ATOM 0 HB3 ALA A 610 -12.511 2.448 10.178 1.00 0.40 H new ATOM 1777 N ILE A 611 -11.829 -0.035 8.548 1.00 0.25 N ATOM 1778 CA ILE A 611 -11.606 -0.417 7.165 1.00 0.23 C ATOM 1779 C ILE A 611 -11.845 -1.918 6.997 1.00 0.22 C ATOM 1780 O ILE A 611 -12.317 -2.373 5.954 1.00 0.23 O ATOM 1781 CB ILE A 611 -10.174 -0.048 6.716 1.00 0.20 C ATOM 1782 CG1 ILE A 611 -9.958 1.459 6.866 1.00 0.24 C ATOM 1783 CG2 ILE A 611 -9.937 -0.469 5.274 1.00 0.22 C ATOM 1784 CD1 ILE A 611 -8.573 1.921 6.483 1.00 0.23 C ATOM 0 H ILE A 611 -10.980 0.215 9.055 1.00 0.25 H new ATOM 0 HA ILE A 611 -12.309 0.130 6.536 1.00 0.23 H new ATOM 0 HB ILE A 611 -9.462 -0.579 7.349 1.00 0.20 H new ATOM 0 HG12 ILE A 611 -10.688 1.984 6.250 1.00 0.24 H new ATOM 0 HG13 ILE A 611 -10.151 1.742 7.901 1.00 0.24 H new ATOM 0 HG21 ILE A 611 -8.923 -0.200 4.978 1.00 0.22 H new ATOM 0 HG22 ILE A 611 -10.067 -1.547 5.184 1.00 0.22 H new ATOM 0 HG23 ILE A 611 -10.651 0.038 4.625 1.00 0.22 H new ATOM 0 HD11 ILE A 611 -8.499 3.000 6.617 1.00 0.23 H new ATOM 0 HD12 ILE A 611 -7.836 1.426 7.116 1.00 0.23 H new ATOM 0 HD13 ILE A 611 -8.382 1.671 5.439 1.00 0.23 H new ATOM 1796 N ILE A 612 -11.530 -2.682 8.041 1.00 0.22 N ATOM 1797 CA ILE A 612 -11.832 -4.111 8.063 1.00 0.24 C ATOM 1798 C ILE A 612 -13.335 -4.322 7.937 1.00 0.27 C ATOM 1799 O ILE A 612 -13.798 -5.163 7.164 1.00 0.28 O ATOM 1800 CB ILE A 612 -11.352 -4.779 9.374 1.00 0.26 C ATOM 1801 CG1 ILE A 612 -9.863 -4.522 9.608 1.00 0.26 C ATOM 1802 CG2 ILE A 612 -11.627 -6.275 9.335 1.00 0.31 C ATOM 1803 CD1 ILE A 612 -9.363 -5.019 10.947 1.00 0.31 C ATOM 0 H ILE A 612 -11.067 -2.336 8.881 1.00 0.22 H new ATOM 0 HA ILE A 612 -11.306 -4.568 7.225 1.00 0.24 H new ATOM 0 HB ILE A 612 -11.907 -4.338 10.202 1.00 0.26 H new ATOM 0 HG12 ILE A 612 -9.291 -5.004 8.815 1.00 0.26 H new ATOM 0 HG13 ILE A 612 -9.672 -3.451 9.533 1.00 0.26 H new ATOM 0 HG21 ILE A 612 -11.284 -6.732 10.263 1.00 0.31 H new ATOM 0 HG22 ILE A 612 -12.697 -6.445 9.220 1.00 0.31 H new ATOM 0 HG23 ILE A 612 -11.096 -6.721 8.494 1.00 0.31 H new ATOM 0 HD11 ILE A 612 -8.299 -4.802 11.042 1.00 0.31 H new ATOM 0 HD12 ILE A 612 -9.908 -4.519 11.747 1.00 0.31 H new ATOM 0 HD13 ILE A 612 -9.521 -6.095 11.018 1.00 0.31 H new ATOM 1815 N GLN A 613 -14.095 -3.525 8.677 1.00 0.31 N ATOM 1816 CA GLN A 613 -15.551 -3.603 8.631 1.00 0.35 C ATOM 1817 C GLN A 613 -16.067 -3.230 7.239 1.00 0.34 C ATOM 1818 O GLN A 613 -17.089 -3.742 6.780 1.00 0.37 O ATOM 1819 CB GLN A 613 -16.163 -2.687 9.690 1.00 0.41 C ATOM 1820 CG GLN A 613 -15.687 -2.986 11.103 1.00 0.49 C ATOM 1821 CD GLN A 613 -15.971 -4.412 11.528 1.00 1.37 C ATOM 1822 OE1 GLN A 613 -15.150 -5.308 11.336 1.00 1.97 O ATOM 1823 NE2 GLN A 613 -17.138 -4.633 12.107 1.00 2.31 N ATOM 0 H GLN A 613 -13.729 -2.818 9.315 1.00 0.31 H new ATOM 0 HA GLN A 613 -15.849 -4.630 8.843 1.00 0.35 H new ATOM 0 HB2 GLN A 613 -15.923 -1.652 9.446 1.00 0.41 H new ATOM 0 HB3 GLN A 613 -17.249 -2.779 9.654 1.00 0.41 H new ATOM 0 HG2 GLN A 613 -14.615 -2.799 11.168 1.00 0.49 H new ATOM 0 HG3 GLN A 613 -16.173 -2.301 11.798 1.00 0.49 H new ATOM 0 HE21 GLN A 613 -17.791 -3.863 12.248 1.00 2.31 H new ATOM 0 HE22 GLN A 613 -17.385 -5.574 12.413 1.00 2.31 H new ATOM 1832 N ASP A 614 -15.327 -2.358 6.570 1.00 0.33 N ATOM 1833 CA ASP A 614 -15.665 -1.930 5.214 1.00 0.33 C ATOM 1834 C ASP A 614 -15.473 -3.072 4.218 1.00 0.30 C ATOM 1835 O ASP A 614 -16.207 -3.188 3.237 1.00 0.34 O ATOM 1836 CB ASP A 614 -14.830 -0.719 4.791 1.00 0.36 C ATOM 1837 CG ASP A 614 -15.484 0.596 5.163 1.00 0.95 C ATOM 1838 OD1 ASP A 614 -15.237 1.102 6.276 1.00 1.95 O ATOM 1839 OD2 ASP A 614 -16.251 1.136 4.336 1.00 1.09 O ATOM 0 H ASP A 614 -14.481 -1.928 6.945 1.00 0.33 H new ATOM 0 HA ASP A 614 -16.716 -1.640 5.215 1.00 0.33 H new ATOM 0 HB2 ASP A 614 -13.848 -0.778 5.260 1.00 0.36 H new ATOM 0 HB3 ASP A 614 -14.671 -0.750 3.713 1.00 0.36 H new ATOM 1844 N ILE A 615 -14.485 -3.915 4.476 1.00 0.26 N ATOM 1845 CA ILE A 615 -14.225 -5.077 3.642 1.00 0.27 C ATOM 1846 C ILE A 615 -15.290 -6.150 3.863 1.00 0.32 C ATOM 1847 O ILE A 615 -15.769 -6.770 2.915 1.00 0.35 O ATOM 1848 CB ILE A 615 -12.838 -5.660 3.955 1.00 0.24 C ATOM 1849 CG1 ILE A 615 -11.769 -4.602 3.687 1.00 0.20 C ATOM 1850 CG2 ILE A 615 -12.580 -6.909 3.122 1.00 0.29 C ATOM 1851 CD1 ILE A 615 -10.409 -4.978 4.204 1.00 0.18 C ATOM 0 H ILE A 615 -13.845 -3.814 5.264 1.00 0.26 H new ATOM 0 HA ILE A 615 -14.255 -4.758 2.600 1.00 0.27 H new ATOM 0 HB ILE A 615 -12.800 -5.946 5.006 1.00 0.24 H new ATOM 0 HG12 ILE A 615 -11.705 -4.426 2.613 1.00 0.20 H new ATOM 0 HG13 ILE A 615 -12.076 -3.662 4.146 1.00 0.20 H new ATOM 0 HG21 ILE A 615 -11.593 -7.306 3.358 1.00 0.29 H new ATOM 0 HG22 ILE A 615 -13.337 -7.660 3.348 1.00 0.29 H new ATOM 0 HG23 ILE A 615 -12.625 -6.656 2.063 1.00 0.29 H new ATOM 0 HD11 ILE A 615 -9.701 -4.181 3.978 1.00 0.18 H new ATOM 0 HD12 ILE A 615 -10.458 -5.125 5.283 1.00 0.18 H new ATOM 0 HD13 ILE A 615 -10.081 -5.901 3.726 1.00 0.18 H new ATOM 1863 N HIS A 616 -15.660 -6.353 5.123 1.00 0.37 N ATOM 1864 CA HIS A 616 -16.669 -7.352 5.479 1.00 0.46 C ATOM 1865 C HIS A 616 -18.062 -6.942 5.004 1.00 0.44 C ATOM 1866 O HIS A 616 -18.881 -7.794 4.656 1.00 0.46 O ATOM 1867 CB HIS A 616 -16.675 -7.609 6.988 1.00 0.59 C ATOM 1868 CG HIS A 616 -15.499 -8.410 7.462 1.00 0.70 C ATOM 1869 ND1 HIS A 616 -14.200 -8.067 7.612 1.00 1.26 N flip ATOM 1870 CD2 HIS A 616 -15.586 -9.731 7.846 1.00 0.76 C flip ATOM 1871 CE1 HIS A 616 -13.538 -9.170 8.079 1.00 1.24 C flip ATOM 1872 NE2 HIS A 616 -14.392 -10.160 8.212 1.00 0.82 N flip ATOM 0 H HIS A 616 -15.278 -5.840 5.917 1.00 0.37 H new ATOM 0 HA HIS A 616 -16.401 -8.277 4.969 1.00 0.46 H new ATOM 0 HB2 HIS A 616 -16.688 -6.653 7.512 1.00 0.59 H new ATOM 0 HB3 HIS A 616 -17.593 -8.132 7.256 1.00 0.59 H new ATOM 0 HD1 HIS A 616 -13.789 -7.155 7.414 1.00 1.26 H new ATOM 0 HD2 HIS A 616 -16.490 -10.323 7.847 1.00 0.76 H new ATOM 0 HE1 HIS A 616 -12.483 -9.219 8.303 1.00 1.24 H new ATOM 1881 N SER A 617 -18.333 -5.641 4.992 1.00 0.45 N ATOM 1882 CA SER A 617 -19.562 -5.125 4.406 1.00 0.51 C ATOM 1883 C SER A 617 -19.501 -5.273 2.887 1.00 0.49 C ATOM 1884 O SER A 617 -20.524 -5.252 2.204 1.00 0.57 O ATOM 1885 CB SER A 617 -19.799 -3.669 4.817 1.00 0.58 C ATOM 1886 OG SER A 617 -18.623 -2.894 4.681 1.00 1.18 O ATOM 0 H SER A 617 -17.718 -4.926 5.381 1.00 0.45 H new ATOM 0 HA SER A 617 -20.406 -5.703 4.781 1.00 0.51 H new ATOM 0 HB2 SER A 617 -20.591 -3.241 4.203 1.00 0.58 H new ATOM 0 HB3 SER A 617 -20.142 -3.633 5.851 1.00 0.58 H new ATOM 0 HG SER A 617 -18.036 -3.052 5.450 1.00 1.18 H new