USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=27 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 -98:sc= 0.816 USER MOD Set 1.2: A 584 ASN : amide:sc= 1.2 X(o=2,f=1.7) USER MOD Set 2.1: A 563 MET CE :methyl -172:sc= -5.47! (180deg=-5.67!) USER MOD Set 2.2: A 572 MET CE :methyl 154:sc= -6.72! (180deg=-9.34!) USER MOD Set 3.1: A 553 MET CE :methyl -133:sc= -0.721 (180deg=-2.31!) USER MOD Set 3.2: A 556 THR OG1 : rot -160:sc= -0.144 USER MOD Set 4.1: A 548 THR OG1 : rot 149:sc= 0.0115 USER MOD Set 4.2: A 549 ASN :FLIP amide:sc= -0.243 F(o=-2.4!,f=-0.23) USER MOD Set 5.1: A 535 ASN : amide:sc= 0.396 K(o=-2.2,f=-5.4) USER MOD Set 5.2: A 539 ASN :FLIP amide:sc= -2.63! F(o=-3.1,f=-2.2!) USER MOD Set 6.1: A 523 HIS : no HE2:sc= -1.24 K(o=0.33,f=-7.6!) USER MOD Set 6.2: A 525 CYS SG : rot 51:sc= 1.69 USER MOD Set 6.3: A 558 GLN : amide:sc= -0.118 K(o=0.33,f=-0.62) USER MOD Single : A 526 ASN : amide:sc= 0.619 K(o=0.62,f=-0.67) USER MOD Single : A 532 CYS SG : rot 13:sc= -2.21! USER MOD Single : A 533 THR OG1 : rot -130:sc= 1.98 USER MOD Single : A 546 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0393) USER MOD Single : A 550 TYR OH : rot 180:sc= 0 USER MOD Single : A 554 LYS NZ :NH3+ 160:sc= -0.0785 (180deg=-0.539) USER MOD Single : A 555 SER OG : rot 180:sc= 0 USER MOD Single : A 557 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) 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 K(o=0,f=-0.67) USER MOD Single : A 574 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 TYR OH : rot 16:sc= -1.49! USER MOD Single : A 577 GLN : amide:sc= -0.241 K(o=-0.24,f=-9.5!) USER MOD Single : A 579 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 587 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 592 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 593 SER OG : rot 69:sc= -2.71! USER MOD Single : A 594 THR OG1 : rot 180:sc= 0.0257 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+ -147:sc= -1.12 (180deg=-2.98!) USER MOD Single : A 603 LYS NZ :NH3+ 165:sc= -0.0231 (180deg=-0.231) USER MOD Single : A 607 ASN : amide:sc= -0.115 K(o=-0.11,f=-3.8!) USER MOD Single : A 613 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.079) USER MOD Single : A 616 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 617 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 321 N ARG A 520 9.297 -2.244 7.525 1.00 0.46 N ATOM 322 CA ARG A 520 8.864 -2.669 6.208 1.00 0.40 C ATOM 323 C ARG A 520 8.273 -1.498 5.446 1.00 0.34 C ATOM 324 O ARG A 520 7.478 -0.728 5.990 1.00 0.36 O ATOM 325 CB ARG A 520 7.808 -3.763 6.342 1.00 0.44 C ATOM 326 CG ARG A 520 8.263 -4.950 7.171 1.00 0.56 C ATOM 327 CD ARG A 520 7.084 -5.737 7.710 1.00 0.64 C ATOM 328 NE ARG A 520 6.211 -4.901 8.530 1.00 0.93 N ATOM 329 CZ ARG A 520 6.068 -5.029 9.849 1.00 1.70 C ATOM 330 NH1 ARG A 520 6.779 -5.928 10.522 1.00 2.13 N ATOM 331 NH2 ARG A 520 5.227 -4.236 10.497 1.00 2.22 N ATOM 0 HA ARG A 520 9.727 -3.053 5.664 1.00 0.40 H new ATOM 0 HB2 ARG A 520 6.912 -3.338 6.794 1.00 0.44 H new ATOM 0 HB3 ARG A 520 7.529 -4.111 5.347 1.00 0.44 H new ATOM 0 HG2 ARG A 520 8.889 -5.602 6.562 1.00 0.56 H new ATOM 0 HG3 ARG A 520 8.879 -4.601 8.000 1.00 0.56 H new ATOM 0 HD2 ARG A 520 6.514 -6.155 6.880 1.00 0.64 H new ATOM 0 HD3 ARG A 520 7.446 -6.577 8.303 1.00 0.64 H new ATOM 0 HE ARG A 520 5.675 -4.170 8.062 1.00 0.93 H new ATOM 0 HH11 ARG A 520 7.441 -6.527 10.029 1.00 2.13 H new ATOM 0 HH12 ARG A 520 6.663 -6.019 11.531 1.00 2.13 H new ATOM 0 HH21 ARG A 520 4.693 -3.532 9.986 1.00 2.22 H new ATOM 0 HH22 ARG A 520 5.113 -4.329 11.506 1.00 2.22 H new ATOM 345 N VAL A 521 8.687 -1.347 4.200 1.00 0.29 N ATOM 346 CA VAL A 521 8.033 -0.428 3.291 1.00 0.24 C ATOM 347 C VAL A 521 7.461 -1.179 2.097 1.00 0.21 C ATOM 348 O VAL A 521 8.194 -1.834 1.347 1.00 0.23 O ATOM 349 CB VAL A 521 8.967 0.701 2.815 1.00 0.26 C ATOM 350 CG1 VAL A 521 8.237 1.633 1.866 1.00 0.27 C ATOM 351 CG2 VAL A 521 9.514 1.472 3.999 1.00 0.32 C ATOM 0 H VAL A 521 9.476 -1.852 3.796 1.00 0.29 H new ATOM 0 HA VAL A 521 7.221 0.042 3.846 1.00 0.24 H new ATOM 0 HB VAL A 521 9.803 0.252 2.280 1.00 0.26 H new ATOM 0 HG11 VAL A 521 8.913 2.424 1.541 1.00 0.27 H new ATOM 0 HG12 VAL A 521 7.892 1.071 0.998 1.00 0.27 H new ATOM 0 HG13 VAL A 521 7.381 2.075 2.376 1.00 0.27 H new ATOM 0 HG21 VAL A 521 10.172 2.265 3.644 1.00 0.32 H new ATOM 0 HG22 VAL A 521 8.689 1.909 4.561 1.00 0.32 H new ATOM 0 HG23 VAL A 521 10.076 0.797 4.645 1.00 0.32 H new ATOM 361 N VAL A 522 6.161 -1.079 1.918 1.00 0.20 N ATOM 362 CA VAL A 522 5.503 -1.668 0.769 1.00 0.18 C ATOM 363 C VAL A 522 4.821 -0.550 0.003 1.00 0.18 C ATOM 364 O VAL A 522 4.005 0.179 0.567 1.00 0.19 O ATOM 365 CB VAL A 522 4.468 -2.732 1.187 1.00 0.20 C ATOM 366 CG1 VAL A 522 3.906 -3.451 -0.029 1.00 0.21 C ATOM 367 CG2 VAL A 522 5.081 -3.724 2.163 1.00 0.22 C ATOM 0 H VAL A 522 5.534 -0.592 2.558 1.00 0.20 H new ATOM 0 HA VAL A 522 6.244 -2.172 0.148 1.00 0.18 H new ATOM 0 HB VAL A 522 3.645 -2.223 1.688 1.00 0.20 H new ATOM 0 HG11 VAL A 522 3.179 -4.196 0.293 1.00 0.21 H new ATOM 0 HG12 VAL A 522 3.420 -2.730 -0.686 1.00 0.21 H new ATOM 0 HG13 VAL A 522 4.716 -3.944 -0.567 1.00 0.21 H new ATOM 0 HG21 VAL A 522 4.334 -4.466 2.445 1.00 0.22 H new ATOM 0 HG22 VAL A 522 5.928 -4.223 1.691 1.00 0.22 H new ATOM 0 HG23 VAL A 522 5.421 -3.195 3.053 1.00 0.22 H new ATOM 377 N HIS A 523 5.162 -0.381 -1.261 1.00 0.18 N ATOM 378 CA HIS A 523 4.671 0.749 -2.023 1.00 0.18 C ATOM 379 C HIS A 523 3.595 0.308 -2.998 1.00 0.17 C ATOM 380 O HIS A 523 3.750 -0.685 -3.710 1.00 0.18 O ATOM 381 CB HIS A 523 5.836 1.398 -2.780 1.00 0.20 C ATOM 382 CG HIS A 523 5.485 2.653 -3.522 1.00 0.25 C ATOM 383 ND1 HIS A 523 5.040 2.658 -4.824 1.00 0.39 N ATOM 384 CD2 HIS A 523 5.550 3.953 -3.148 1.00 0.30 C ATOM 385 CE1 HIS A 523 4.850 3.901 -5.218 1.00 0.44 C ATOM 386 NE2 HIS A 523 5.152 4.711 -4.221 1.00 0.37 N ATOM 0 H HIS A 523 5.775 -1.010 -1.779 1.00 0.18 H new ATOM 0 HA HIS A 523 4.234 1.476 -1.338 1.00 0.18 H new ATOM 0 HB2 HIS A 523 6.631 1.624 -2.070 1.00 0.20 H new ATOM 0 HB3 HIS A 523 6.238 0.674 -3.489 1.00 0.20 H new ATOM 0 HD1 HIS A 523 4.882 1.828 -5.396 1.00 0.39 H new ATOM 0 HD2 HIS A 523 5.859 4.325 -2.182 1.00 0.30 H new ATOM 0 HE1 HIS A 523 4.504 4.206 -6.195 1.00 0.44 H new ATOM 395 N ILE A 524 2.515 1.058 -3.024 1.00 0.16 N ATOM 396 CA ILE A 524 1.425 0.810 -3.940 1.00 0.16 C ATOM 397 C ILE A 524 1.389 1.935 -4.960 1.00 0.17 C ATOM 398 O ILE A 524 1.575 3.099 -4.612 1.00 0.19 O ATOM 399 CB ILE A 524 0.081 0.715 -3.189 1.00 0.17 C ATOM 400 CG1 ILE A 524 0.201 -0.318 -2.062 1.00 0.16 C ATOM 401 CG2 ILE A 524 -1.051 0.354 -4.144 1.00 0.18 C ATOM 402 CD1 ILE A 524 -1.093 -0.603 -1.335 1.00 0.18 C ATOM 0 H ILE A 524 2.368 1.858 -2.409 1.00 0.16 H new ATOM 0 HA ILE A 524 1.583 -0.144 -4.444 1.00 0.16 H new ATOM 0 HB ILE A 524 -0.156 1.687 -2.756 1.00 0.17 H new ATOM 0 HG12 ILE A 524 0.582 -1.250 -2.479 1.00 0.16 H new ATOM 0 HG13 ILE A 524 0.939 0.033 -1.341 1.00 0.16 H new ATOM 0 HG21 ILE A 524 -1.988 0.293 -3.591 1.00 0.18 H new ATOM 0 HG22 ILE A 524 -1.134 1.119 -4.916 1.00 0.18 H new ATOM 0 HG23 ILE A 524 -0.841 -0.609 -4.610 1.00 0.18 H new ATOM 0 HD11 ILE A 524 -0.917 -1.344 -0.555 1.00 0.18 H new ATOM 0 HD12 ILE A 524 -1.467 0.316 -0.884 1.00 0.18 H new ATOM 0 HD13 ILE A 524 -1.830 -0.987 -2.040 1.00 0.18 H new ATOM 414 N CYS A 525 1.186 1.596 -6.215 1.00 0.17 N ATOM 415 CA CYS A 525 1.291 2.580 -7.272 1.00 0.18 C ATOM 416 C CYS A 525 0.102 2.498 -8.210 1.00 0.15 C ATOM 417 O CYS A 525 -0.587 1.475 -8.255 1.00 0.16 O ATOM 418 CB CYS A 525 2.579 2.349 -8.068 1.00 0.29 C ATOM 419 SG CYS A 525 3.778 1.270 -7.246 1.00 1.17 S ATOM 0 H CYS A 525 0.949 0.654 -6.527 1.00 0.17 H new ATOM 0 HA CYS A 525 1.308 3.570 -6.815 1.00 0.18 H new ATOM 0 HB2 CYS A 525 2.322 1.917 -9.035 1.00 0.29 H new ATOM 0 HB3 CYS A 525 3.049 3.313 -8.264 1.00 0.29 H new ATOM 0 HG CYS A 525 3.189 0.174 -6.869 1.00 1.17 H new ATOM 425 N ASN A 526 -0.132 3.603 -8.917 1.00 0.15 N ATOM 426 CA ASN A 526 -1.129 3.686 -9.992 1.00 0.16 C ATOM 427 C ASN A 526 -2.507 3.990 -9.431 1.00 0.15 C ATOM 428 O ASN A 526 -3.525 3.634 -10.025 1.00 0.18 O ATOM 429 CB ASN A 526 -1.177 2.412 -10.850 1.00 0.19 C ATOM 430 CG ASN A 526 0.125 2.134 -11.574 1.00 0.21 C ATOM 431 OD1 ASN A 526 0.874 3.049 -11.920 1.00 0.22 O ATOM 432 ND2 ASN A 526 0.399 0.864 -11.820 1.00 0.26 N ATOM 0 H ASN A 526 0.369 4.477 -8.760 1.00 0.15 H new ATOM 0 HA ASN A 526 -0.819 4.505 -10.641 1.00 0.16 H new ATOM 0 HB2 ASN A 526 -1.421 1.561 -10.214 1.00 0.19 H new ATOM 0 HB3 ASN A 526 -1.980 2.504 -11.581 1.00 0.19 H new ATOM 0 HD21 ASN A 526 1.256 0.613 -12.313 1.00 0.26 H new ATOM 0 HD22 ASN A 526 -0.247 0.135 -11.517 1.00 0.26 H new ATOM 439 N LEU A 527 -2.532 4.693 -8.310 1.00 0.15 N ATOM 440 CA LEU A 527 -3.787 5.093 -7.699 1.00 0.17 C ATOM 441 C LEU A 527 -4.264 6.388 -8.342 1.00 0.22 C ATOM 442 O LEU A 527 -3.531 7.372 -8.365 1.00 0.25 O ATOM 443 CB LEU A 527 -3.601 5.293 -6.191 1.00 0.15 C ATOM 444 CG LEU A 527 -3.381 4.017 -5.376 1.00 0.16 C ATOM 445 CD1 LEU A 527 -2.944 4.360 -3.964 1.00 0.18 C ATOM 446 CD2 LEU A 527 -4.656 3.194 -5.333 1.00 0.21 C ATOM 0 H LEU A 527 -1.699 4.997 -7.806 1.00 0.15 H new ATOM 0 HA LEU A 527 -4.531 4.312 -7.855 1.00 0.17 H new ATOM 0 HB2 LEU A 527 -2.749 5.955 -6.033 1.00 0.15 H new ATOM 0 HB3 LEU A 527 -4.480 5.805 -5.800 1.00 0.15 H new ATOM 0 HG LEU A 527 -2.596 3.433 -5.857 1.00 0.16 H new ATOM 0 HD11 LEU A 527 -2.792 3.442 -3.397 1.00 0.18 H new ATOM 0 HD12 LEU A 527 -2.012 4.924 -3.998 1.00 0.18 H new ATOM 0 HD13 LEU A 527 -3.714 4.961 -3.481 1.00 0.18 H new ATOM 0 HD21 LEU A 527 -4.485 2.289 -4.750 1.00 0.21 H new ATOM 0 HD22 LEU A 527 -5.451 3.779 -4.871 1.00 0.21 H new ATOM 0 HD23 LEU A 527 -4.948 2.922 -6.347 1.00 0.21 H new ATOM 458 N PRO A 528 -5.478 6.410 -8.904 1.00 0.26 N ATOM 459 CA PRO A 528 -6.018 7.616 -9.523 1.00 0.33 C ATOM 460 C PRO A 528 -6.469 8.634 -8.482 1.00 0.34 C ATOM 461 O PRO A 528 -7.135 8.280 -7.507 1.00 0.32 O ATOM 462 CB PRO A 528 -7.226 7.109 -10.327 1.00 0.38 C ATOM 463 CG PRO A 528 -7.193 5.617 -10.236 1.00 0.37 C ATOM 464 CD PRO A 528 -6.407 5.281 -9.004 1.00 0.29 C ATOM 0 HA PRO A 528 -5.274 8.127 -10.134 1.00 0.33 H new ATOM 0 HB2 PRO A 528 -8.157 7.503 -9.920 1.00 0.38 H new ATOM 0 HB3 PRO A 528 -7.168 7.437 -11.365 1.00 0.38 H new ATOM 0 HG2 PRO A 528 -8.202 5.210 -10.175 1.00 0.37 H new ATOM 0 HG3 PRO A 528 -6.728 5.185 -11.122 1.00 0.37 H new ATOM 0 HD2 PRO A 528 -7.046 5.202 -8.124 1.00 0.29 H new ATOM 0 HD3 PRO A 528 -5.882 4.331 -9.104 1.00 0.29 H new ATOM 472 N GLU A 529 -6.108 9.891 -8.689 1.00 0.41 N ATOM 473 CA GLU A 529 -6.557 10.971 -7.822 1.00 0.46 C ATOM 474 C GLU A 529 -8.065 11.129 -7.947 1.00 0.47 C ATOM 475 O GLU A 529 -8.619 11.025 -9.043 1.00 0.53 O ATOM 476 CB GLU A 529 -5.837 12.274 -8.171 1.00 0.57 C ATOM 477 CG GLU A 529 -6.405 13.511 -7.477 1.00 0.66 C ATOM 478 CD GLU A 529 -6.247 13.494 -5.965 1.00 1.12 C ATOM 479 OE1 GLU A 529 -6.713 12.523 -5.330 1.00 1.60 O ATOM 480 OE2 GLU A 529 -5.636 14.433 -5.405 1.00 1.41 O ATOM 0 H GLU A 529 -5.502 10.190 -9.453 1.00 0.41 H new ATOM 0 HA GLU A 529 -6.315 10.726 -6.788 1.00 0.46 H new ATOM 0 HB2 GLU A 529 -4.784 12.175 -7.908 1.00 0.57 H new ATOM 0 HB3 GLU A 529 -5.883 12.423 -9.250 1.00 0.57 H new ATOM 0 HG2 GLU A 529 -5.911 14.398 -7.874 1.00 0.66 H new ATOM 0 HG3 GLU A 529 -7.464 13.599 -7.721 1.00 0.66 H new ATOM 487 N GLY A 530 -8.729 11.365 -6.830 1.00 0.46 N ATOM 488 CA GLY A 530 -10.173 11.342 -6.820 1.00 0.48 C ATOM 489 C GLY A 530 -10.679 9.959 -6.498 1.00 0.43 C ATOM 490 O GLY A 530 -11.880 9.697 -6.524 1.00 0.46 O ATOM 0 H GLY A 530 -8.295 11.572 -5.931 1.00 0.46 H new ATOM 0 HA2 GLY A 530 -10.548 12.053 -6.084 1.00 0.48 H new ATOM 0 HA3 GLY A 530 -10.554 11.658 -7.791 1.00 0.48 H new ATOM 494 N SER A 531 -9.743 9.070 -6.194 1.00 0.37 N ATOM 495 CA SER A 531 -10.043 7.668 -5.962 1.00 0.35 C ATOM 496 C SER A 531 -8.959 7.033 -5.090 1.00 0.28 C ATOM 497 O SER A 531 -8.997 5.836 -4.796 1.00 0.30 O ATOM 498 CB SER A 531 -10.153 6.932 -7.293 1.00 0.40 C ATOM 499 OG SER A 531 -11.209 7.464 -8.076 1.00 1.08 O ATOM 0 H SER A 531 -8.754 9.303 -6.102 1.00 0.37 H new ATOM 0 HA SER A 531 -10.996 7.592 -5.439 1.00 0.35 H new ATOM 0 HB2 SER A 531 -9.213 7.014 -7.838 1.00 0.40 H new ATOM 0 HB3 SER A 531 -10.326 5.871 -7.114 1.00 0.40 H new ATOM 0 HG SER A 531 -12.007 6.904 -7.973 1.00 1.08 H new ATOM 505 N CYS A 532 -7.997 7.849 -4.669 1.00 0.24 N ATOM 506 CA CYS A 532 -6.950 7.395 -3.771 1.00 0.20 C ATOM 507 C CYS A 532 -7.450 7.518 -2.351 1.00 0.18 C ATOM 508 O CYS A 532 -7.132 8.484 -1.657 1.00 0.21 O ATOM 509 CB CYS A 532 -5.678 8.238 -3.921 1.00 0.21 C ATOM 510 SG CYS A 532 -4.967 8.257 -5.576 1.00 0.25 S ATOM 0 H CYS A 532 -7.924 8.830 -4.939 1.00 0.24 H new ATOM 0 HA CYS A 532 -6.706 6.361 -4.016 1.00 0.20 H new ATOM 0 HB2 CYS A 532 -5.903 9.263 -3.627 1.00 0.21 H new ATOM 0 HB3 CYS A 532 -4.928 7.864 -3.224 1.00 0.21 H new ATOM 0 HG CYS A 532 -5.824 7.767 -6.422 1.00 0.25 H new ATOM 516 N THR A 533 -8.259 6.576 -1.917 1.00 0.17 N ATOM 517 CA THR A 533 -8.791 6.650 -0.579 1.00 0.18 C ATOM 518 C THR A 533 -7.936 5.804 0.337 1.00 0.17 C ATOM 519 O THR A 533 -7.343 4.818 -0.098 1.00 0.18 O ATOM 520 CB THR A 533 -10.244 6.143 -0.526 1.00 0.26 C ATOM 521 OG1 THR A 533 -10.271 4.733 -0.757 1.00 0.35 O ATOM 522 CG2 THR A 533 -11.104 6.849 -1.564 1.00 0.28 C ATOM 0 H THR A 533 -8.557 5.766 -2.461 1.00 0.17 H new ATOM 0 HA THR A 533 -8.781 7.692 -0.260 1.00 0.18 H new ATOM 0 HB THR A 533 -10.649 6.361 0.462 1.00 0.26 H new ATOM 0 HG1 THR A 533 -10.934 4.528 -1.449 1.00 0.35 H new ATOM 0 HG21 THR A 533 -12.126 6.473 -1.506 1.00 0.28 H new ATOM 0 HG22 THR A 533 -11.100 7.922 -1.371 1.00 0.28 H new ATOM 0 HG23 THR A 533 -10.703 6.658 -2.559 1.00 0.28 H new ATOM 530 N GLU A 534 -7.874 6.177 1.598 1.00 0.19 N ATOM 531 CA GLU A 534 -7.152 5.396 2.578 1.00 0.20 C ATOM 532 C GLU A 534 -7.847 4.062 2.748 1.00 0.19 C ATOM 533 O GLU A 534 -7.214 3.028 2.943 1.00 0.20 O ATOM 534 CB GLU A 534 -7.041 6.156 3.898 1.00 0.23 C ATOM 535 CG GLU A 534 -6.403 7.532 3.734 1.00 0.27 C ATOM 536 CD GLU A 534 -6.234 8.276 5.041 1.00 0.93 C ATOM 537 OE1 GLU A 534 -7.251 8.715 5.615 1.00 1.17 O ATOM 538 OE2 GLU A 534 -5.084 8.393 5.517 1.00 1.64 O ATOM 0 H GLU A 534 -8.316 7.018 1.968 1.00 0.19 H new ATOM 0 HA GLU A 534 -6.133 5.216 2.234 1.00 0.20 H new ATOM 0 HB2 GLU A 534 -8.035 6.270 4.331 1.00 0.23 H new ATOM 0 HB3 GLU A 534 -6.452 5.569 4.602 1.00 0.23 H new ATOM 0 HG2 GLU A 534 -5.428 7.418 3.261 1.00 0.27 H new ATOM 0 HG3 GLU A 534 -7.016 8.131 3.060 1.00 0.27 H new ATOM 545 N ASN A 535 -9.164 4.108 2.633 1.00 0.20 N ATOM 546 CA ASN A 535 -9.988 2.934 2.830 1.00 0.22 C ATOM 547 C ASN A 535 -9.706 1.876 1.762 1.00 0.21 C ATOM 548 O ASN A 535 -9.473 0.732 2.102 1.00 0.21 O ATOM 549 CB ASN A 535 -11.469 3.315 2.820 1.00 0.27 C ATOM 550 CG ASN A 535 -12.332 2.295 3.539 1.00 0.96 C ATOM 551 OD1 ASN A 535 -12.796 1.322 2.948 1.00 1.82 O ATOM 552 ND2 ASN A 535 -12.562 2.519 4.823 1.00 1.38 N ATOM 0 H ASN A 535 -9.685 4.954 2.402 1.00 0.20 H new ATOM 0 HA ASN A 535 -9.740 2.508 3.802 1.00 0.22 H new ATOM 0 HB2 ASN A 535 -11.594 4.290 3.291 1.00 0.27 H new ATOM 0 HB3 ASN A 535 -11.809 3.413 1.789 1.00 0.27 H new ATOM 0 HD21 ASN A 535 -13.142 1.873 5.358 1.00 1.38 H new ATOM 0 HD22 ASN A 535 -12.159 3.338 5.278 1.00 1.38 H new ATOM 559 N ASP A 536 -9.652 2.268 0.483 1.00 0.21 N ATOM 560 CA ASP A 536 -9.484 1.295 -0.616 1.00 0.22 C ATOM 561 C ASP A 536 -8.087 0.683 -0.609 1.00 0.17 C ATOM 562 O ASP A 536 -7.914 -0.524 -0.786 1.00 0.16 O ATOM 563 CB ASP A 536 -9.736 1.945 -1.985 1.00 0.27 C ATOM 564 CG ASP A 536 -11.208 2.105 -2.318 1.00 0.37 C ATOM 565 OD1 ASP A 536 -11.875 1.084 -2.582 1.00 0.44 O ATOM 566 OD2 ASP A 536 -11.697 3.256 -2.351 1.00 0.61 O ATOM 0 H ASP A 536 -9.721 3.240 0.180 1.00 0.21 H new ATOM 0 HA ASP A 536 -10.221 0.509 -0.451 1.00 0.22 H new ATOM 0 HB2 ASP A 536 -9.258 2.925 -2.007 1.00 0.27 H new ATOM 0 HB3 ASP A 536 -9.260 1.341 -2.758 1.00 0.27 H new ATOM 571 N VAL A 537 -7.100 1.543 -0.419 1.00 0.15 N ATOM 572 CA VAL A 537 -5.700 1.126 -0.379 1.00 0.13 C ATOM 573 C VAL A 537 -5.492 0.117 0.754 1.00 0.12 C ATOM 574 O VAL A 537 -4.883 -0.950 0.581 1.00 0.13 O ATOM 575 CB VAL A 537 -4.768 2.348 -0.209 1.00 0.12 C ATOM 576 CG1 VAL A 537 -3.303 1.950 -0.247 1.00 0.12 C ATOM 577 CG2 VAL A 537 -5.053 3.363 -1.301 1.00 0.13 C ATOM 0 H VAL A 537 -7.241 2.545 -0.288 1.00 0.15 H new ATOM 0 HA VAL A 537 -5.448 0.647 -1.325 1.00 0.13 H new ATOM 0 HB VAL A 537 -4.967 2.787 0.769 1.00 0.12 H new ATOM 0 HG11 VAL A 537 -2.682 2.837 -0.124 1.00 0.12 H new ATOM 0 HG12 VAL A 537 -3.096 1.247 0.560 1.00 0.12 H new ATOM 0 HG13 VAL A 537 -3.078 1.480 -1.204 1.00 0.12 H new ATOM 0 HG21 VAL A 537 -4.395 4.223 -1.179 1.00 0.13 H new ATOM 0 HG22 VAL A 537 -4.878 2.908 -2.276 1.00 0.13 H new ATOM 0 HG23 VAL A 537 -6.091 3.688 -1.234 1.00 0.13 H new ATOM 587 N ILE A 538 -6.047 0.444 1.903 1.00 0.12 N ATOM 588 CA ILE A 538 -6.040 -0.455 3.038 1.00 0.12 C ATOM 589 C ILE A 538 -6.919 -1.686 2.782 1.00 0.12 C ATOM 590 O ILE A 538 -6.628 -2.772 3.280 1.00 0.12 O ATOM 591 CB ILE A 538 -6.457 0.260 4.330 1.00 0.14 C ATOM 592 CG1 ILE A 538 -5.391 1.277 4.730 1.00 0.16 C ATOM 593 CG2 ILE A 538 -6.671 -0.746 5.442 1.00 0.14 C ATOM 594 CD1 ILE A 538 -5.678 1.947 6.050 1.00 0.23 C ATOM 0 H ILE A 538 -6.513 1.335 2.076 1.00 0.12 H new ATOM 0 HA ILE A 538 -5.014 -0.799 3.169 1.00 0.12 H new ATOM 0 HB ILE A 538 -7.396 0.786 4.155 1.00 0.14 H new ATOM 0 HG12 ILE A 538 -4.424 0.778 4.786 1.00 0.16 H new ATOM 0 HG13 ILE A 538 -5.313 2.037 3.953 1.00 0.16 H new ATOM 0 HG21 ILE A 538 -6.966 -0.225 6.352 1.00 0.14 H new ATOM 0 HG22 ILE A 538 -7.456 -1.446 5.154 1.00 0.14 H new ATOM 0 HG23 ILE A 538 -5.745 -1.293 5.621 1.00 0.14 H new ATOM 0 HD11 ILE A 538 -4.884 2.658 6.277 1.00 0.23 H new ATOM 0 HD12 ILE A 538 -6.631 2.474 5.991 1.00 0.23 H new ATOM 0 HD13 ILE A 538 -5.727 1.194 6.837 1.00 0.23 H new ATOM 606 N ASN A 539 -8.003 -1.518 2.020 1.00 0.12 N ATOM 607 CA ASN A 539 -8.858 -2.649 1.654 1.00 0.14 C ATOM 608 C ASN A 539 -8.050 -3.702 0.926 1.00 0.15 C ATOM 609 O ASN A 539 -8.411 -4.873 0.926 1.00 0.17 O ATOM 610 CB ASN A 539 -10.028 -2.262 0.735 1.00 0.17 C ATOM 611 CG ASN A 539 -11.118 -1.430 1.383 1.00 0.20 C ATOM 612 OD1 ASN A 539 -11.273 -1.532 2.690 1.00 0.25 O flip ATOM 613 ND2 ASN A 539 -11.823 -0.692 0.695 1.00 0.21 N flip ATOM 0 H ASN A 539 -8.307 -0.618 1.648 1.00 0.12 H new ATOM 0 HA ASN A 539 -9.263 -3.022 2.595 1.00 0.14 H new ATOM 0 HB2 ASN A 539 -9.631 -1.710 -0.117 1.00 0.17 H new ATOM 0 HB3 ASN A 539 -10.476 -3.175 0.342 1.00 0.17 H new ATOM 0 HD21 ASN A 539 -11.674 -0.639 -0.313 1.00 0.21 H new ATOM 0 HD22 ASN A 539 -12.556 -0.134 1.133 1.00 0.21 H new ATOM 620 N LEU A 540 -6.990 -3.283 0.259 1.00 0.15 N ATOM 621 CA LEU A 540 -6.088 -4.230 -0.360 1.00 0.17 C ATOM 622 C LEU A 540 -5.218 -4.880 0.711 1.00 0.16 C ATOM 623 O LEU A 540 -4.980 -6.085 0.686 1.00 0.19 O ATOM 624 CB LEU A 540 -5.200 -3.514 -1.377 1.00 0.19 C ATOM 625 CG LEU A 540 -5.940 -2.831 -2.527 1.00 0.22 C ATOM 626 CD1 LEU A 540 -4.952 -2.151 -3.457 1.00 0.27 C ATOM 627 CD2 LEU A 540 -6.797 -3.829 -3.293 1.00 0.24 C ATOM 0 H LEU A 540 -6.736 -2.303 0.134 1.00 0.15 H new ATOM 0 HA LEU A 540 -6.669 -4.997 -0.871 1.00 0.17 H new ATOM 0 HB2 LEU A 540 -4.607 -2.764 -0.853 1.00 0.19 H new ATOM 0 HB3 LEU A 540 -4.500 -4.237 -1.796 1.00 0.19 H new ATOM 0 HG LEU A 540 -6.602 -2.074 -2.106 1.00 0.22 H new ATOM 0 HD11 LEU A 540 -5.492 -1.668 -4.272 1.00 0.27 H new ATOM 0 HD12 LEU A 540 -4.387 -1.402 -2.903 1.00 0.27 H new ATOM 0 HD13 LEU A 540 -4.267 -2.894 -3.866 1.00 0.27 H new ATOM 0 HD21 LEU A 540 -7.313 -3.317 -4.106 1.00 0.24 H new ATOM 0 HD22 LEU A 540 -6.162 -4.614 -3.703 1.00 0.24 H new ATOM 0 HD23 LEU A 540 -7.531 -4.271 -2.619 1.00 0.24 H new ATOM 639 N GLY A 541 -4.760 -4.061 1.659 1.00 0.14 N ATOM 640 CA GLY A 541 -3.898 -4.554 2.728 1.00 0.16 C ATOM 641 C GLY A 541 -4.540 -5.530 3.709 1.00 0.15 C ATOM 642 O GLY A 541 -4.030 -6.628 3.918 1.00 0.19 O ATOM 0 H GLY A 541 -4.970 -3.064 1.707 1.00 0.14 H new ATOM 0 HA2 GLY A 541 -3.034 -5.040 2.276 1.00 0.16 H new ATOM 0 HA3 GLY A 541 -3.524 -3.698 3.290 1.00 0.16 H new ATOM 646 N LEU A 542 -5.671 -5.153 4.279 1.00 0.13 N ATOM 647 CA LEU A 542 -6.241 -5.884 5.418 1.00 0.14 C ATOM 648 C LEU A 542 -6.533 -7.371 5.155 1.00 0.16 C ATOM 649 O LEU A 542 -6.219 -8.204 6.004 1.00 0.20 O ATOM 650 CB LEU A 542 -7.496 -5.184 5.923 1.00 0.13 C ATOM 651 CG LEU A 542 -7.244 -3.925 6.744 1.00 0.14 C ATOM 652 CD1 LEU A 542 -8.542 -3.175 6.972 1.00 0.16 C ATOM 653 CD2 LEU A 542 -6.597 -4.280 8.073 1.00 0.16 C ATOM 0 H LEU A 542 -6.219 -4.347 3.979 1.00 0.13 H new ATOM 0 HA LEU A 542 -5.464 -5.872 6.182 1.00 0.14 H new ATOM 0 HB2 LEU A 542 -8.118 -4.923 5.067 1.00 0.13 H new ATOM 0 HB3 LEU A 542 -8.067 -5.887 6.529 1.00 0.13 H new ATOM 0 HG LEU A 542 -6.563 -3.279 6.189 1.00 0.14 H new ATOM 0 HD11 LEU A 542 -8.346 -2.278 7.560 1.00 0.16 H new ATOM 0 HD12 LEU A 542 -8.972 -2.892 6.011 1.00 0.16 H new ATOM 0 HD13 LEU A 542 -9.242 -3.815 7.509 1.00 0.16 H new ATOM 0 HD21 LEU A 542 -6.423 -3.370 8.648 1.00 0.16 H new ATOM 0 HD22 LEU A 542 -7.257 -4.943 8.633 1.00 0.16 H new ATOM 0 HD23 LEU A 542 -5.646 -4.782 7.892 1.00 0.16 H new ATOM 665 N PRO A 543 -7.149 -7.746 4.015 1.00 0.17 N ATOM 666 CA PRO A 543 -7.504 -9.148 3.744 1.00 0.19 C ATOM 667 C PRO A 543 -6.300 -10.095 3.729 1.00 0.20 C ATOM 668 O PRO A 543 -6.450 -11.288 3.989 1.00 0.23 O ATOM 669 CB PRO A 543 -8.175 -9.088 2.367 1.00 0.22 C ATOM 670 CG PRO A 543 -8.652 -7.683 2.260 1.00 0.21 C ATOM 671 CD PRO A 543 -7.577 -6.871 2.915 1.00 0.17 C ATOM 0 HA PRO A 543 -8.143 -9.553 4.529 1.00 0.19 H new ATOM 0 HB2 PRO A 543 -7.473 -9.333 1.570 1.00 0.22 H new ATOM 0 HB3 PRO A 543 -9.000 -9.796 2.294 1.00 0.22 H new ATOM 0 HG2 PRO A 543 -8.793 -7.390 1.220 1.00 0.21 H new ATOM 0 HG3 PRO A 543 -9.611 -7.550 2.761 1.00 0.21 H new ATOM 0 HD2 PRO A 543 -6.759 -6.651 2.229 1.00 0.17 H new ATOM 0 HD3 PRO A 543 -7.954 -5.915 3.279 1.00 0.17 H new ATOM 679 N PHE A 544 -5.107 -9.582 3.433 1.00 0.20 N ATOM 680 CA PHE A 544 -3.913 -10.422 3.440 1.00 0.22 C ATOM 681 C PHE A 544 -3.119 -10.243 4.733 1.00 0.22 C ATOM 682 O PHE A 544 -2.255 -11.061 5.055 1.00 0.28 O ATOM 683 CB PHE A 544 -3.017 -10.098 2.242 1.00 0.23 C ATOM 684 CG PHE A 544 -3.681 -10.283 0.907 1.00 0.25 C ATOM 685 CD1 PHE A 544 -3.770 -11.540 0.330 1.00 0.29 C ATOM 686 CD2 PHE A 544 -4.208 -9.197 0.225 1.00 0.28 C ATOM 687 CE1 PHE A 544 -4.376 -11.710 -0.901 1.00 0.33 C ATOM 688 CE2 PHE A 544 -4.815 -9.362 -1.005 1.00 0.32 C ATOM 689 CZ PHE A 544 -4.899 -10.620 -1.569 1.00 0.33 C ATOM 0 H PHE A 544 -4.943 -8.605 3.189 1.00 0.20 H new ATOM 0 HA PHE A 544 -4.242 -11.459 3.373 1.00 0.22 H new ATOM 0 HB2 PHE A 544 -2.677 -9.066 2.326 1.00 0.23 H new ATOM 0 HB3 PHE A 544 -2.130 -10.730 2.285 1.00 0.23 H new ATOM 0 HD1 PHE A 544 -3.362 -12.396 0.847 1.00 0.29 H new ATOM 0 HD2 PHE A 544 -4.143 -8.211 0.660 1.00 0.28 H new ATOM 0 HE1 PHE A 544 -4.440 -12.695 -1.340 1.00 0.33 H new ATOM 0 HE2 PHE A 544 -5.223 -8.508 -1.525 1.00 0.32 H new ATOM 0 HZ PHE A 544 -5.373 -10.751 -2.531 1.00 0.33 H new ATOM 699 N GLY A 545 -3.412 -9.181 5.472 1.00 0.19 N ATOM 700 CA GLY A 545 -2.719 -8.932 6.722 1.00 0.21 C ATOM 701 C GLY A 545 -3.163 -7.639 7.377 1.00 0.21 C ATOM 702 O GLY A 545 -3.672 -6.747 6.708 1.00 0.44 O ATOM 0 H GLY A 545 -4.118 -8.486 5.228 1.00 0.19 H new ATOM 0 HA2 GLY A 545 -2.896 -9.763 7.405 1.00 0.21 H new ATOM 0 HA3 GLY A 545 -1.645 -8.894 6.539 1.00 0.21 H new ATOM 706 N LYS A 546 -2.971 -7.537 8.685 1.00 0.27 N ATOM 707 CA LYS A 546 -3.372 -6.347 9.423 1.00 0.25 C ATOM 708 C LYS A 546 -2.546 -5.138 8.998 1.00 0.20 C ATOM 709 O LYS A 546 -1.316 -5.180 9.000 1.00 0.24 O ATOM 710 CB LYS A 546 -3.219 -6.582 10.929 1.00 0.35 C ATOM 711 CG LYS A 546 -3.732 -5.438 11.791 1.00 0.41 C ATOM 712 CD LYS A 546 -3.593 -5.757 13.270 1.00 0.92 C ATOM 713 CE LYS A 546 -4.172 -4.656 14.148 1.00 1.60 C ATOM 714 NZ LYS A 546 -3.418 -3.382 14.019 1.00 2.07 N ATOM 0 H LYS A 546 -2.540 -8.264 9.257 1.00 0.27 H new ATOM 0 HA LYS A 546 -4.419 -6.144 9.197 1.00 0.25 H new ATOM 0 HB2 LYS A 546 -3.751 -7.494 11.200 1.00 0.35 H new ATOM 0 HB3 LYS A 546 -2.166 -6.749 11.155 1.00 0.35 H new ATOM 0 HG2 LYS A 546 -3.178 -4.528 11.559 1.00 0.41 H new ATOM 0 HG3 LYS A 546 -4.778 -5.243 11.555 1.00 0.41 H new ATOM 0 HD2 LYS A 546 -4.099 -6.698 13.487 1.00 0.92 H new ATOM 0 HD3 LYS A 546 -2.540 -5.898 13.513 1.00 0.92 H new ATOM 0 HE2 LYS A 546 -5.215 -4.488 13.878 1.00 1.60 H new ATOM 0 HE3 LYS A 546 -4.161 -4.980 15.189 1.00 1.60 H new ATOM 0 HZ1 LYS A 546 -3.782 -2.692 14.707 1.00 2.07 H new ATOM 0 HZ2 LYS A 546 -2.409 -3.555 14.203 1.00 2.07 H new ATOM 0 HZ3 LYS A 546 -3.535 -3.005 13.057 1.00 2.07 H new ATOM 728 N VAL A 547 -3.236 -4.070 8.626 1.00 0.16 N ATOM 729 CA VAL A 547 -2.592 -2.830 8.234 1.00 0.15 C ATOM 730 C VAL A 547 -2.239 -1.999 9.459 1.00 0.18 C ATOM 731 O VAL A 547 -3.120 -1.563 10.203 1.00 0.20 O ATOM 732 CB VAL A 547 -3.509 -2.016 7.296 1.00 0.16 C ATOM 733 CG1 VAL A 547 -2.927 -0.645 6.989 1.00 0.18 C ATOM 734 CG2 VAL A 547 -3.747 -2.788 6.010 1.00 0.14 C ATOM 0 H VAL A 547 -4.255 -4.041 8.588 1.00 0.16 H new ATOM 0 HA VAL A 547 -1.674 -3.079 7.701 1.00 0.15 H new ATOM 0 HB VAL A 547 -4.459 -1.861 7.807 1.00 0.16 H new ATOM 0 HG11 VAL A 547 -3.602 -0.103 6.326 1.00 0.18 H new ATOM 0 HG12 VAL A 547 -2.803 -0.086 7.917 1.00 0.18 H new ATOM 0 HG13 VAL A 547 -1.958 -0.761 6.504 1.00 0.18 H new ATOM 0 HG21 VAL A 547 -4.395 -2.208 5.352 1.00 0.14 H new ATOM 0 HG22 VAL A 547 -2.794 -2.970 5.513 1.00 0.14 H new ATOM 0 HG23 VAL A 547 -4.223 -3.741 6.241 1.00 0.14 H new ATOM 744 N THR A 548 -0.951 -1.802 9.676 1.00 0.20 N ATOM 745 CA THR A 548 -0.490 -1.008 10.797 1.00 0.23 C ATOM 746 C THR A 548 -0.278 0.450 10.403 1.00 0.23 C ATOM 747 O THR A 548 -0.551 1.360 11.188 1.00 0.27 O ATOM 748 CB THR A 548 0.819 -1.593 11.359 1.00 0.27 C ATOM 749 OG1 THR A 548 1.743 -1.820 10.286 1.00 0.26 O ATOM 750 CG2 THR A 548 0.559 -2.899 12.096 1.00 0.31 C ATOM 0 H THR A 548 -0.207 -2.181 9.090 1.00 0.20 H new ATOM 0 HA THR A 548 -1.263 -1.040 11.565 1.00 0.23 H new ATOM 0 HB THR A 548 1.242 -0.878 12.065 1.00 0.27 H new ATOM 0 HG1 THR A 548 2.660 -1.712 10.615 1.00 0.26 H new ATOM 0 HG21 THR A 548 1.499 -3.292 12.483 1.00 0.31 H new ATOM 0 HG22 THR A 548 -0.127 -2.719 12.923 1.00 0.31 H new ATOM 0 HG23 THR A 548 0.119 -3.623 11.410 1.00 0.31 H new ATOM 758 N ASN A 549 0.180 0.674 9.179 1.00 0.20 N ATOM 759 CA ASN A 549 0.423 2.031 8.702 1.00 0.21 C ATOM 760 C ASN A 549 0.112 2.145 7.218 1.00 0.18 C ATOM 761 O ASN A 549 0.087 1.151 6.501 1.00 0.20 O ATOM 762 CB ASN A 549 1.878 2.466 8.952 1.00 0.26 C ATOM 763 CG ASN A 549 2.297 2.375 10.408 1.00 0.40 C ATOM 764 OD1 ASN A 549 2.069 3.439 11.159 1.00 1.26 O flip ATOM 765 ND2 ASN A 549 2.820 1.354 10.854 1.00 0.81 N flip ATOM 0 H ASN A 549 0.390 -0.059 8.502 1.00 0.20 H new ATOM 0 HA ASN A 549 -0.239 2.691 9.263 1.00 0.21 H new ATOM 0 HB2 ASN A 549 2.543 1.845 8.352 1.00 0.26 H new ATOM 0 HB3 ASN A 549 2.006 3.493 8.609 1.00 0.26 H new ATOM 0 HD21 ASN A 549 2.979 0.554 10.242 1.00 0.81 H new ATOM 0 HD22 ASN A 549 3.094 1.308 11.835 1.00 0.81 H new ATOM 772 N TYR A 550 -0.137 3.366 6.774 1.00 0.17 N ATOM 773 CA TYR A 550 -0.453 3.638 5.380 1.00 0.17 C ATOM 774 C TYR A 550 -0.241 5.116 5.082 1.00 0.17 C ATOM 775 O TYR A 550 -0.404 5.959 5.966 1.00 0.17 O ATOM 776 CB TYR A 550 -1.900 3.226 5.083 1.00 0.17 C ATOM 777 CG TYR A 550 -2.914 3.869 6.005 1.00 0.17 C ATOM 778 CD1 TYR A 550 -3.803 4.823 5.539 1.00 0.19 C ATOM 779 CD2 TYR A 550 -2.970 3.525 7.352 1.00 0.19 C ATOM 780 CE1 TYR A 550 -4.720 5.414 6.389 1.00 0.22 C ATOM 781 CE2 TYR A 550 -3.881 4.108 8.202 1.00 0.24 C ATOM 782 CZ TYR A 550 -4.754 5.051 7.718 1.00 0.25 C ATOM 783 OH TYR A 550 -5.669 5.625 8.566 1.00 0.31 O ATOM 0 H TYR A 550 -0.126 4.195 7.368 1.00 0.17 H new ATOM 0 HA TYR A 550 0.209 3.057 4.738 1.00 0.17 H new ATOM 0 HB2 TYR A 550 -2.140 3.489 4.053 1.00 0.17 H new ATOM 0 HB3 TYR A 550 -1.984 2.142 5.163 1.00 0.17 H new ATOM 0 HD1 TYR A 550 -3.780 5.109 4.498 1.00 0.19 H new ATOM 0 HD2 TYR A 550 -2.284 2.785 7.738 1.00 0.19 H new ATOM 0 HE1 TYR A 550 -5.407 6.157 6.013 1.00 0.22 H new ATOM 0 HE2 TYR A 550 -3.909 3.826 9.244 1.00 0.24 H new ATOM 0 HH TYR A 550 -5.557 5.256 9.467 1.00 0.31 H new ATOM 793 N ILE A 551 0.110 5.430 3.843 1.00 0.18 N ATOM 794 CA ILE A 551 0.425 6.797 3.443 1.00 0.16 C ATOM 795 C ILE A 551 -0.061 7.008 2.024 1.00 0.17 C ATOM 796 O ILE A 551 0.312 6.253 1.132 1.00 0.20 O ATOM 797 CB ILE A 551 1.946 7.060 3.468 1.00 0.18 C ATOM 798 CG1 ILE A 551 2.533 6.734 4.847 1.00 0.19 C ATOM 799 CG2 ILE A 551 2.253 8.501 3.084 1.00 0.22 C ATOM 800 CD1 ILE A 551 4.042 6.802 4.905 1.00 0.20 C ATOM 0 H ILE A 551 0.185 4.748 3.088 1.00 0.18 H new ATOM 0 HA ILE A 551 -0.061 7.477 4.143 1.00 0.16 H new ATOM 0 HB ILE A 551 2.413 6.404 2.734 1.00 0.18 H new ATOM 0 HG12 ILE A 551 2.120 7.428 5.579 1.00 0.19 H new ATOM 0 HG13 ILE A 551 2.213 5.734 5.139 1.00 0.19 H new ATOM 0 HG21 ILE A 551 3.331 8.662 3.109 1.00 0.22 H new ATOM 0 HG22 ILE A 551 1.880 8.697 2.079 1.00 0.22 H new ATOM 0 HG23 ILE A 551 1.769 9.177 3.789 1.00 0.22 H new ATOM 0 HD11 ILE A 551 4.379 6.559 5.913 1.00 0.20 H new ATOM 0 HD12 ILE A 551 4.466 6.088 4.199 1.00 0.20 H new ATOM 0 HD13 ILE A 551 4.371 7.808 4.646 1.00 0.20 H new ATOM 812 N LEU A 552 -0.886 8.008 1.798 1.00 0.16 N ATOM 813 CA LEU A 552 -1.420 8.230 0.469 1.00 0.19 C ATOM 814 C LEU A 552 -0.781 9.443 -0.182 1.00 0.19 C ATOM 815 O LEU A 552 -0.905 10.551 0.330 1.00 0.26 O ATOM 816 CB LEU A 552 -2.928 8.414 0.519 1.00 0.27 C ATOM 817 CG LEU A 552 -3.729 7.198 0.945 1.00 0.30 C ATOM 818 CD1 LEU A 552 -5.191 7.468 0.704 1.00 0.43 C ATOM 819 CD2 LEU A 552 -3.282 5.953 0.198 1.00 0.42 C ATOM 0 H LEU A 552 -1.199 8.673 2.506 1.00 0.16 H new ATOM 0 HA LEU A 552 -1.187 7.349 -0.129 1.00 0.19 H new ATOM 0 HB2 LEU A 552 -3.153 9.231 1.204 1.00 0.27 H new ATOM 0 HB3 LEU A 552 -3.270 8.723 -0.469 1.00 0.27 H new ATOM 0 HG LEU A 552 -3.560 7.015 2.006 1.00 0.30 H new ATOM 0 HD11 LEU A 552 -5.776 6.600 1.007 1.00 0.43 H new ATOM 0 HD12 LEU A 552 -5.501 8.336 1.286 1.00 0.43 H new ATOM 0 HD13 LEU A 552 -5.355 7.664 -0.356 1.00 0.43 H new ATOM 0 HD21 LEU A 552 -3.875 5.099 0.526 1.00 0.42 H new ATOM 0 HD22 LEU A 552 -3.421 6.102 -0.873 1.00 0.42 H new ATOM 0 HD23 LEU A 552 -2.229 5.764 0.404 1.00 0.42 H new ATOM 831 N MET A 553 -0.144 9.258 -1.327 1.00 0.18 N ATOM 832 CA MET A 553 0.451 10.388 -2.022 1.00 0.26 C ATOM 833 C MET A 553 -0.353 10.683 -3.276 1.00 0.26 C ATOM 834 O MET A 553 -0.004 10.255 -4.380 1.00 0.25 O ATOM 835 CB MET A 553 1.907 10.105 -2.400 1.00 0.35 C ATOM 836 CG MET A 553 2.811 9.805 -1.219 1.00 0.56 C ATOM 837 SD MET A 553 4.524 9.534 -1.720 1.00 1.03 S ATOM 838 CE MET A 553 4.347 8.110 -2.788 1.00 0.80 C ATOM 0 H MET A 553 -0.027 8.355 -1.788 1.00 0.18 H new ATOM 0 HA MET A 553 0.437 11.250 -1.355 1.00 0.26 H new ATOM 0 HB2 MET A 553 1.934 9.260 -3.087 1.00 0.35 H new ATOM 0 HB3 MET A 553 2.305 10.966 -2.938 1.00 0.35 H new ATOM 0 HG2 MET A 553 2.768 10.633 -0.512 1.00 0.56 H new ATOM 0 HG3 MET A 553 2.443 8.921 -0.698 1.00 0.56 H new ATOM 0 HE1 MET A 553 5.102 7.367 -2.532 1.00 0.80 H new ATOM 0 HE2 MET A 553 3.355 7.678 -2.657 1.00 0.80 H new ATOM 0 HE3 MET A 553 4.476 8.416 -3.826 1.00 0.80 H new ATOM 848 N LYS A 554 -1.435 11.413 -3.078 1.00 0.32 N ATOM 849 CA LYS A 554 -2.285 11.876 -4.171 1.00 0.37 C ATOM 850 C LYS A 554 -1.509 12.617 -5.251 1.00 0.38 C ATOM 851 O LYS A 554 -1.888 12.574 -6.420 1.00 0.40 O ATOM 852 CB LYS A 554 -3.380 12.788 -3.618 1.00 0.47 C ATOM 853 CG LYS A 554 -3.895 12.382 -2.243 1.00 0.43 C ATOM 854 CD LYS A 554 -4.444 10.966 -2.224 1.00 0.37 C ATOM 855 CE LYS A 554 -5.095 10.648 -0.889 1.00 0.39 C ATOM 856 NZ LYS A 554 -6.221 11.568 -0.586 1.00 1.03 N ATOM 0 H LYS A 554 -1.754 11.705 -2.154 1.00 0.32 H new ATOM 0 HA LYS A 554 -2.719 10.990 -4.635 1.00 0.37 H new ATOM 0 HB2 LYS A 554 -2.996 13.807 -3.564 1.00 0.47 H new ATOM 0 HB3 LYS A 554 -4.216 12.799 -4.318 1.00 0.47 H new ATOM 0 HG2 LYS A 554 -3.087 12.465 -1.516 1.00 0.43 H new ATOM 0 HG3 LYS A 554 -4.676 13.076 -1.931 1.00 0.43 H new ATOM 0 HD2 LYS A 554 -5.173 10.845 -3.025 1.00 0.37 H new ATOM 0 HD3 LYS A 554 -3.638 10.258 -2.417 1.00 0.37 H new ATOM 0 HE2 LYS A 554 -5.459 9.621 -0.899 1.00 0.39 H new ATOM 0 HE3 LYS A 554 -4.349 10.715 -0.097 1.00 0.39 H new ATOM 0 HZ1 LYS A 554 -6.840 11.135 0.129 1.00 1.03 H new ATOM 0 HZ2 LYS A 554 -5.846 12.467 -0.221 1.00 1.03 H new ATOM 0 HZ3 LYS A 554 -6.766 11.747 -1.453 1.00 1.03 H new ATOM 870 N SER A 555 -0.418 13.269 -4.878 1.00 0.40 N ATOM 871 CA SER A 555 0.315 14.111 -5.805 1.00 0.44 C ATOM 872 C SER A 555 0.979 13.280 -6.903 1.00 0.38 C ATOM 873 O SER A 555 0.965 13.655 -8.075 1.00 0.38 O ATOM 874 CB SER A 555 1.363 14.914 -5.034 1.00 0.51 C ATOM 875 OG SER A 555 2.234 14.052 -4.318 1.00 0.50 O ATOM 0 H SER A 555 -0.022 13.230 -3.939 1.00 0.40 H new ATOM 0 HA SER A 555 -0.385 14.793 -6.289 1.00 0.44 H new ATOM 0 HB2 SER A 555 1.940 15.527 -5.727 1.00 0.51 H new ATOM 0 HB3 SER A 555 0.868 15.595 -4.342 1.00 0.51 H new ATOM 0 HG SER A 555 2.897 14.586 -3.833 1.00 0.50 H new ATOM 881 N THR A 556 1.547 12.144 -6.519 1.00 0.34 N ATOM 882 CA THR A 556 2.263 11.294 -7.457 1.00 0.32 C ATOM 883 C THR A 556 1.404 10.128 -7.935 1.00 0.27 C ATOM 884 O THR A 556 1.855 9.302 -8.736 1.00 0.28 O ATOM 885 CB THR A 556 3.551 10.745 -6.815 1.00 0.36 C ATOM 886 OG1 THR A 556 3.235 10.075 -5.587 1.00 0.34 O ATOM 887 CG2 THR A 556 4.540 11.863 -6.539 1.00 0.45 C ATOM 0 H THR A 556 1.525 11.791 -5.562 1.00 0.34 H new ATOM 0 HA THR A 556 2.516 11.912 -8.319 1.00 0.32 H new ATOM 0 HB THR A 556 4.006 10.042 -7.513 1.00 0.36 H new ATOM 0 HG1 THR A 556 4.041 10.009 -5.033 1.00 0.34 H new ATOM 0 HG21 THR A 556 5.441 11.449 -6.086 1.00 0.45 H new ATOM 0 HG22 THR A 556 4.800 12.358 -7.475 1.00 0.45 H new ATOM 0 HG23 THR A 556 4.091 12.586 -5.858 1.00 0.45 H new ATOM 895 N ASN A 557 0.157 10.087 -7.457 1.00 0.26 N ATOM 896 CA ASN A 557 -0.765 8.982 -7.740 1.00 0.26 C ATOM 897 C ASN A 557 -0.175 7.662 -7.234 1.00 0.21 C ATOM 898 O ASN A 557 -0.284 6.613 -7.878 1.00 0.25 O ATOM 899 CB ASN A 557 -1.074 8.885 -9.246 1.00 0.31 C ATOM 900 CG ASN A 557 -1.744 10.130 -9.817 1.00 0.38 C ATOM 901 OD1 ASN A 557 -2.517 10.839 -9.006 1.00 1.09 O flip ATOM 902 ND2 ASN A 557 -1.574 10.449 -10.995 1.00 1.28 N flip ATOM 0 H ASN A 557 -0.241 10.816 -6.865 1.00 0.26 H new ATOM 0 HA ASN A 557 -1.701 9.179 -7.217 1.00 0.26 H new ATOM 0 HB2 ASN A 557 -0.146 8.703 -9.787 1.00 0.31 H new ATOM 0 HB3 ASN A 557 -1.719 8.024 -9.421 1.00 0.31 H new ATOM 0 HD21 ASN A 557 -0.973 9.884 -11.595 1.00 1.28 H new ATOM 0 HD22 ASN A 557 -2.034 11.278 -11.370 1.00 1.28 H new ATOM 909 N GLN A 558 0.439 7.734 -6.058 1.00 0.17 N ATOM 910 CA GLN A 558 1.132 6.597 -5.460 1.00 0.17 C ATOM 911 C GLN A 558 0.857 6.562 -3.962 1.00 0.16 C ATOM 912 O GLN A 558 0.354 7.534 -3.408 1.00 0.20 O ATOM 913 CB GLN A 558 2.636 6.705 -5.706 1.00 0.22 C ATOM 914 CG GLN A 558 3.023 6.760 -7.172 1.00 0.29 C ATOM 915 CD GLN A 558 4.493 7.059 -7.365 1.00 0.41 C ATOM 916 OE1 GLN A 558 5.324 6.685 -6.539 1.00 0.78 O ATOM 917 NE2 GLN A 558 4.821 7.748 -8.445 1.00 0.84 N ATOM 0 H GLN A 558 0.471 8.582 -5.492 1.00 0.17 H new ATOM 0 HA GLN A 558 0.766 5.678 -5.919 1.00 0.17 H new ATOM 0 HB2 GLN A 558 3.011 7.600 -5.209 1.00 0.22 H new ATOM 0 HB3 GLN A 558 3.131 5.852 -5.243 1.00 0.22 H new ATOM 0 HG2 GLN A 558 2.783 5.808 -7.645 1.00 0.29 H new ATOM 0 HG3 GLN A 558 2.430 7.524 -7.674 1.00 0.29 H new ATOM 0 HE21 GLN A 558 4.098 8.038 -9.104 1.00 0.84 H new ATOM 0 HE22 GLN A 558 5.797 7.989 -8.619 1.00 0.84 H new ATOM 926 N ALA A 559 1.164 5.453 -3.302 1.00 0.15 N ATOM 927 CA ALA A 559 0.897 5.330 -1.877 1.00 0.14 C ATOM 928 C ALA A 559 1.775 4.263 -1.214 1.00 0.14 C ATOM 929 O ALA A 559 2.441 3.480 -1.888 1.00 0.16 O ATOM 930 CB ALA A 559 -0.572 5.035 -1.653 1.00 0.15 C ATOM 0 H ALA A 559 1.595 4.632 -3.727 1.00 0.15 H new ATOM 0 HA ALA A 559 1.148 6.281 -1.407 1.00 0.14 H new ATOM 0 HB1 ALA A 559 -0.766 4.944 -0.584 1.00 0.15 H new ATOM 0 HB2 ALA A 559 -1.173 5.847 -2.063 1.00 0.15 H new ATOM 0 HB3 ALA A 559 -0.836 4.102 -2.150 1.00 0.15 H new ATOM 936 N PHE A 560 1.791 4.280 0.111 1.00 0.14 N ATOM 937 CA PHE A 560 2.522 3.289 0.901 1.00 0.15 C ATOM 938 C PHE A 560 1.568 2.504 1.789 1.00 0.14 C ATOM 939 O PHE A 560 0.584 3.052 2.292 1.00 0.16 O ATOM 940 CB PHE A 560 3.574 3.954 1.794 1.00 0.16 C ATOM 941 CG PHE A 560 4.696 4.629 1.060 1.00 0.20 C ATOM 942 CD1 PHE A 560 5.795 3.902 0.636 1.00 0.26 C ATOM 943 CD2 PHE A 560 4.661 5.992 0.814 1.00 0.29 C ATOM 944 CE1 PHE A 560 6.839 4.522 -0.019 1.00 0.30 C ATOM 945 CE2 PHE A 560 5.701 6.616 0.157 1.00 0.35 C ATOM 946 CZ PHE A 560 6.792 5.880 -0.260 1.00 0.30 C ATOM 0 H PHE A 560 1.301 4.977 0.671 1.00 0.14 H new ATOM 0 HA PHE A 560 3.016 2.620 0.197 1.00 0.15 H new ATOM 0 HB2 PHE A 560 3.078 4.691 2.426 1.00 0.16 H new ATOM 0 HB3 PHE A 560 3.996 3.198 2.456 1.00 0.16 H new ATOM 0 HD1 PHE A 560 5.836 2.839 0.820 1.00 0.26 H new ATOM 0 HD2 PHE A 560 3.810 6.572 1.140 1.00 0.29 H new ATOM 0 HE1 PHE A 560 7.693 3.945 -0.343 1.00 0.30 H new ATOM 0 HE2 PHE A 560 5.662 7.679 -0.031 1.00 0.35 H new ATOM 0 HZ PHE A 560 7.608 6.366 -0.774 1.00 0.30 H new ATOM 956 N LEU A 561 1.871 1.229 1.985 1.00 0.14 N ATOM 957 CA LEU A 561 1.052 0.360 2.815 1.00 0.14 C ATOM 958 C LEU A 561 1.936 -0.502 3.716 1.00 0.16 C ATOM 959 O LEU A 561 2.770 -1.268 3.239 1.00 0.18 O ATOM 960 CB LEU A 561 0.174 -0.522 1.922 1.00 0.15 C ATOM 961 CG LEU A 561 -0.768 -1.484 2.649 1.00 0.17 C ATOM 962 CD1 LEU A 561 -1.769 -0.716 3.500 1.00 0.19 C ATOM 963 CD2 LEU A 561 -1.489 -2.371 1.643 1.00 0.20 C ATOM 0 H LEU A 561 2.686 0.771 1.576 1.00 0.14 H new ATOM 0 HA LEU A 561 0.411 0.971 3.451 1.00 0.14 H new ATOM 0 HB2 LEU A 561 -0.424 0.126 1.281 1.00 0.15 H new ATOM 0 HB3 LEU A 561 0.824 -1.105 1.269 1.00 0.15 H new ATOM 0 HG LEU A 561 -0.176 -2.116 3.311 1.00 0.17 H new ATOM 0 HD11 LEU A 561 -2.429 -1.419 4.008 1.00 0.19 H new ATOM 0 HD12 LEU A 561 -1.235 -0.119 4.240 1.00 0.19 H new ATOM 0 HD13 LEU A 561 -2.360 -0.059 2.862 1.00 0.19 H new ATOM 0 HD21 LEU A 561 -2.157 -3.052 2.171 1.00 0.20 H new ATOM 0 HD22 LEU A 561 -2.069 -1.750 0.961 1.00 0.20 H new ATOM 0 HD23 LEU A 561 -0.758 -2.947 1.076 1.00 0.20 H new ATOM 975 N GLU A 562 1.759 -0.346 5.016 1.00 0.17 N ATOM 976 CA GLU A 562 2.510 -1.119 5.995 1.00 0.20 C ATOM 977 C GLU A 562 1.656 -2.256 6.538 1.00 0.18 C ATOM 978 O GLU A 562 0.481 -2.070 6.870 1.00 0.18 O ATOM 979 CB GLU A 562 2.985 -0.211 7.129 1.00 0.27 C ATOM 980 CG GLU A 562 4.439 -0.418 7.527 1.00 0.57 C ATOM 981 CD GLU A 562 4.700 -1.757 8.187 1.00 1.17 C ATOM 982 OE1 GLU A 562 4.893 -2.756 7.467 1.00 2.09 O ATOM 983 OE2 GLU A 562 4.740 -1.805 9.436 1.00 1.21 O ATOM 0 H GLU A 562 1.096 0.314 5.423 1.00 0.17 H new ATOM 0 HA GLU A 562 3.385 -1.551 5.508 1.00 0.20 H new ATOM 0 HB2 GLU A 562 2.846 0.828 6.830 1.00 0.27 H new ATOM 0 HB3 GLU A 562 2.354 -0.378 8.002 1.00 0.27 H new ATOM 0 HG2 GLU A 562 5.066 -0.331 6.640 1.00 0.57 H new ATOM 0 HG3 GLU A 562 4.738 0.378 8.208 1.00 0.57 H new ATOM 990 N MET A 563 2.261 -3.426 6.636 1.00 0.25 N ATOM 991 CA MET A 563 1.546 -4.645 6.965 1.00 0.23 C ATOM 992 C MET A 563 2.190 -5.286 8.185 1.00 0.27 C ATOM 993 O MET A 563 3.392 -5.171 8.381 1.00 0.39 O ATOM 994 CB MET A 563 1.614 -5.586 5.766 1.00 0.25 C ATOM 995 CG MET A 563 1.208 -4.905 4.469 1.00 0.25 C ATOM 996 SD MET A 563 1.671 -5.845 3.009 1.00 0.31 S ATOM 997 CE MET A 563 1.222 -4.702 1.703 1.00 0.25 C ATOM 0 H MET A 563 3.262 -3.557 6.490 1.00 0.25 H new ATOM 0 HA MET A 563 0.502 -4.430 7.194 1.00 0.23 H new ATOM 0 HB2 MET A 563 2.629 -5.972 5.668 1.00 0.25 H new ATOM 0 HB3 MET A 563 0.963 -6.442 5.943 1.00 0.25 H new ATOM 0 HG2 MET A 563 0.129 -4.751 4.468 1.00 0.25 H new ATOM 0 HG3 MET A 563 1.671 -3.919 4.422 1.00 0.25 H new ATOM 0 HE1 MET A 563 1.317 -5.198 0.737 1.00 0.25 H new ATOM 0 HE2 MET A 563 0.191 -4.376 1.843 1.00 0.25 H new ATOM 0 HE3 MET A 563 1.884 -3.837 1.733 1.00 0.25 H new ATOM 1007 N ALA A 564 1.394 -5.976 8.991 1.00 0.28 N ATOM 1008 CA ALA A 564 1.862 -6.481 10.279 1.00 0.33 C ATOM 1009 C ALA A 564 2.841 -7.633 10.110 1.00 0.27 C ATOM 1010 O ALA A 564 3.561 -7.993 11.043 1.00 0.40 O ATOM 1011 CB ALA A 564 0.679 -6.910 11.134 1.00 0.50 C ATOM 0 H ALA A 564 0.422 -6.200 8.778 1.00 0.28 H new ATOM 0 HA ALA A 564 2.392 -5.672 10.782 1.00 0.33 H new ATOM 0 HB1 ALA A 564 1.039 -7.285 12.092 1.00 0.50 H new ATOM 0 HB2 ALA A 564 0.023 -6.056 11.302 1.00 0.50 H new ATOM 0 HB3 ALA A 564 0.126 -7.697 10.621 1.00 0.50 H new ATOM 1017 N TYR A 565 2.862 -8.209 8.922 1.00 0.27 N ATOM 1018 CA TYR A 565 3.719 -9.345 8.637 1.00 0.37 C ATOM 1019 C TYR A 565 4.292 -9.229 7.232 1.00 0.33 C ATOM 1020 O TYR A 565 3.621 -8.761 6.312 1.00 0.29 O ATOM 1021 CB TYR A 565 2.934 -10.652 8.761 1.00 0.55 C ATOM 1022 CG TYR A 565 2.422 -10.951 10.153 1.00 0.68 C ATOM 1023 CD1 TYR A 565 1.121 -10.633 10.521 1.00 0.75 C ATOM 1024 CD2 TYR A 565 3.239 -11.563 11.095 1.00 0.86 C ATOM 1025 CE1 TYR A 565 0.650 -10.915 11.788 1.00 0.90 C ATOM 1026 CE2 TYR A 565 2.775 -11.847 12.364 1.00 1.00 C ATOM 1027 CZ TYR A 565 1.481 -11.522 12.704 1.00 0.98 C ATOM 1028 OH TYR A 565 1.012 -11.809 13.965 1.00 1.15 O ATOM 0 H TYR A 565 2.291 -7.906 8.133 1.00 0.27 H new ATOM 0 HA TYR A 565 4.534 -9.350 9.361 1.00 0.37 H new ATOM 0 HB2 TYR A 565 2.087 -10.618 8.076 1.00 0.55 H new ATOM 0 HB3 TYR A 565 3.571 -11.475 8.438 1.00 0.55 H new ATOM 0 HD1 TYR A 565 0.467 -10.158 9.805 1.00 0.75 H new ATOM 0 HD2 TYR A 565 4.254 -11.821 10.830 1.00 0.86 H new ATOM 0 HE1 TYR A 565 -0.364 -10.661 12.059 1.00 0.90 H new ATOM 0 HE2 TYR A 565 3.423 -12.321 13.086 1.00 1.00 H new ATOM 0 HH TYR A 565 1.721 -12.237 14.488 1.00 1.15 H new ATOM 1038 N THR A 566 5.535 -9.666 7.076 1.00 0.39 N ATOM 1039 CA THR A 566 6.191 -9.662 5.776 1.00 0.40 C ATOM 1040 C THR A 566 5.514 -10.672 4.851 1.00 0.36 C ATOM 1041 O THR A 566 5.525 -10.521 3.627 1.00 0.35 O ATOM 1042 CB THR A 566 7.709 -9.950 5.885 1.00 0.51 C ATOM 1043 OG1 THR A 566 8.307 -9.977 4.584 1.00 0.57 O ATOM 1044 CG2 THR A 566 7.981 -11.265 6.597 1.00 0.57 C ATOM 0 H THR A 566 6.110 -10.029 7.836 1.00 0.39 H new ATOM 0 HA THR A 566 6.089 -8.662 5.355 1.00 0.40 H new ATOM 0 HB THR A 566 8.151 -9.146 6.473 1.00 0.51 H new ATOM 0 HG1 THR A 566 9.266 -10.158 4.669 1.00 0.57 H new ATOM 0 HG21 THR A 566 9.057 -11.432 6.654 1.00 0.57 H new ATOM 0 HG22 THR A 566 7.566 -11.226 7.604 1.00 0.57 H new ATOM 0 HG23 THR A 566 7.516 -12.081 6.044 1.00 0.57 H new ATOM 1052 N GLU A 567 4.913 -11.697 5.458 1.00 0.38 N ATOM 1053 CA GLU A 567 4.150 -12.701 4.727 1.00 0.40 C ATOM 1054 C GLU A 567 3.015 -12.044 3.946 1.00 0.31 C ATOM 1055 O GLU A 567 2.652 -12.495 2.861 1.00 0.32 O ATOM 1056 CB GLU A 567 3.581 -13.747 5.695 1.00 0.49 C ATOM 1057 CG GLU A 567 2.416 -13.243 6.538 1.00 0.55 C ATOM 1058 CD GLU A 567 1.985 -14.244 7.589 1.00 0.71 C ATOM 1059 OE1 GLU A 567 2.329 -14.059 8.775 1.00 0.89 O ATOM 1060 OE2 GLU A 567 1.295 -15.222 7.235 1.00 0.84 O ATOM 0 H GLU A 567 4.943 -11.851 6.466 1.00 0.38 H new ATOM 0 HA GLU A 567 4.819 -13.197 4.024 1.00 0.40 H new ATOM 0 HB2 GLU A 567 3.254 -14.616 5.124 1.00 0.49 H new ATOM 0 HB3 GLU A 567 4.377 -14.084 6.359 1.00 0.49 H new ATOM 0 HG2 GLU A 567 2.701 -12.310 7.025 1.00 0.55 H new ATOM 0 HG3 GLU A 567 1.571 -13.018 5.887 1.00 0.55 H new ATOM 1067 N ALA A 568 2.478 -10.964 4.503 1.00 0.26 N ATOM 1068 CA ALA A 568 1.370 -10.259 3.890 1.00 0.24 C ATOM 1069 C ALA A 568 1.857 -9.486 2.680 1.00 0.21 C ATOM 1070 O ALA A 568 1.230 -9.511 1.624 1.00 0.22 O ATOM 1071 CB ALA A 568 0.709 -9.324 4.892 1.00 0.25 C ATOM 0 H ALA A 568 2.798 -10.560 5.383 1.00 0.26 H new ATOM 0 HA ALA A 568 0.626 -10.987 3.566 1.00 0.24 H new ATOM 0 HB1 ALA A 568 -0.120 -8.804 4.412 1.00 0.25 H new ATOM 0 HB2 ALA A 568 0.335 -9.902 5.737 1.00 0.25 H new ATOM 0 HB3 ALA A 568 1.438 -8.595 5.245 1.00 0.25 H new ATOM 1077 N ALA A 569 3.005 -8.836 2.832 1.00 0.19 N ATOM 1078 CA ALA A 569 3.553 -7.997 1.779 1.00 0.21 C ATOM 1079 C ALA A 569 3.889 -8.817 0.549 1.00 0.22 C ATOM 1080 O ALA A 569 3.521 -8.458 -0.567 1.00 0.24 O ATOM 1081 CB ALA A 569 4.794 -7.273 2.281 1.00 0.23 C ATOM 0 H ALA A 569 3.574 -8.876 3.678 1.00 0.19 H new ATOM 0 HA ALA A 569 2.798 -7.262 1.501 1.00 0.21 H new ATOM 0 HB1 ALA A 569 5.197 -6.647 1.485 1.00 0.23 H new ATOM 0 HB2 ALA A 569 4.531 -6.649 3.135 1.00 0.23 H new ATOM 0 HB3 ALA A 569 5.544 -8.004 2.583 1.00 0.23 H new ATOM 1087 N GLN A 570 4.545 -9.947 0.763 1.00 0.24 N ATOM 1088 CA GLN A 570 4.938 -10.805 -0.339 1.00 0.28 C ATOM 1089 C GLN A 570 3.715 -11.449 -0.979 1.00 0.27 C ATOM 1090 O GLN A 570 3.667 -11.637 -2.192 1.00 0.29 O ATOM 1091 CB GLN A 570 5.930 -11.874 0.123 1.00 0.34 C ATOM 1092 CG GLN A 570 5.382 -12.811 1.185 1.00 0.38 C ATOM 1093 CD GLN A 570 6.385 -13.862 1.601 1.00 0.51 C ATOM 1094 OE1 GLN A 570 7.593 -13.629 1.574 1.00 1.24 O ATOM 1095 NE2 GLN A 570 5.896 -15.030 1.979 1.00 1.04 N ATOM 0 H GLN A 570 4.814 -10.288 1.686 1.00 0.24 H new ATOM 0 HA GLN A 570 5.434 -10.187 -1.087 1.00 0.28 H new ATOM 0 HB2 GLN A 570 6.241 -12.463 -0.740 1.00 0.34 H new ATOM 0 HB3 GLN A 570 6.822 -11.383 0.512 1.00 0.34 H new ATOM 0 HG2 GLN A 570 5.085 -12.231 2.059 1.00 0.38 H new ATOM 0 HG3 GLN A 570 4.484 -13.300 0.806 1.00 0.38 H new ATOM 0 HE21 GLN A 570 4.887 -15.182 1.987 1.00 1.04 H new ATOM 0 HE22 GLN A 570 6.527 -15.779 2.263 1.00 1.04 H new ATOM 1104 N ALA A 571 2.725 -11.784 -0.157 1.00 0.26 N ATOM 1105 CA ALA A 571 1.503 -12.406 -0.645 1.00 0.27 C ATOM 1106 C ALA A 571 0.751 -11.468 -1.577 1.00 0.25 C ATOM 1107 O ALA A 571 0.290 -11.881 -2.645 1.00 0.27 O ATOM 1108 CB ALA A 571 0.616 -12.817 0.517 1.00 0.31 C ATOM 0 H ALA A 571 2.747 -11.634 0.852 1.00 0.26 H new ATOM 0 HA ALA A 571 1.779 -13.298 -1.208 1.00 0.27 H new ATOM 0 HB1 ALA A 571 -0.293 -13.280 0.134 1.00 0.31 H new ATOM 0 HB2 ALA A 571 1.149 -13.529 1.147 1.00 0.31 H new ATOM 0 HB3 ALA A 571 0.355 -11.937 1.105 1.00 0.31 H new ATOM 1114 N MET A 572 0.640 -10.205 -1.175 1.00 0.25 N ATOM 1115 CA MET A 572 -0.056 -9.213 -1.981 1.00 0.28 C ATOM 1116 C MET A 572 0.674 -8.994 -3.293 1.00 0.24 C ATOM 1117 O MET A 572 0.056 -8.997 -4.356 1.00 0.24 O ATOM 1118 CB MET A 572 -0.189 -7.878 -1.246 1.00 0.37 C ATOM 1119 CG MET A 572 -0.836 -7.993 0.119 1.00 0.47 C ATOM 1120 SD MET A 572 -1.295 -6.398 0.808 1.00 0.36 S ATOM 1121 CE MET A 572 -1.430 -6.826 2.542 1.00 0.33 C ATOM 0 H MET A 572 1.022 -9.848 -0.299 1.00 0.25 H new ATOM 0 HA MET A 572 -1.057 -9.598 -2.176 1.00 0.28 H new ATOM 0 HB2 MET A 572 0.801 -7.436 -1.132 1.00 0.37 H new ATOM 0 HB3 MET A 572 -0.775 -7.193 -1.859 1.00 0.37 H new ATOM 0 HG2 MET A 572 -1.724 -8.620 0.043 1.00 0.47 H new ATOM 0 HG3 MET A 572 -0.149 -8.494 0.801 1.00 0.47 H new ATOM 0 HE1 MET A 572 -1.249 -5.940 3.151 1.00 0.33 H new ATOM 0 HE2 MET A 572 -2.430 -7.208 2.746 1.00 0.33 H new ATOM 0 HE3 MET A 572 -0.693 -7.591 2.786 1.00 0.33 H new ATOM 1131 N VAL A 573 1.992 -8.828 -3.221 1.00 0.24 N ATOM 1132 CA VAL A 573 2.785 -8.599 -4.420 1.00 0.27 C ATOM 1133 C VAL A 573 2.620 -9.758 -5.393 1.00 0.25 C ATOM 1134 O VAL A 573 2.317 -9.544 -6.559 1.00 0.28 O ATOM 1135 CB VAL A 573 4.285 -8.411 -4.098 1.00 0.31 C ATOM 1136 CG1 VAL A 573 5.086 -8.187 -5.373 1.00 0.34 C ATOM 1137 CG2 VAL A 573 4.490 -7.251 -3.136 1.00 0.32 C ATOM 0 H VAL A 573 2.527 -8.848 -2.353 1.00 0.24 H new ATOM 0 HA VAL A 573 2.418 -7.678 -4.874 1.00 0.27 H new ATOM 0 HB VAL A 573 4.643 -9.323 -3.620 1.00 0.31 H new ATOM 0 HG11 VAL A 573 6.139 -8.057 -5.123 1.00 0.34 H new ATOM 0 HG12 VAL A 573 4.973 -9.049 -6.030 1.00 0.34 H new ATOM 0 HG13 VAL A 573 4.721 -7.294 -5.880 1.00 0.34 H new ATOM 0 HG21 VAL A 573 5.553 -7.138 -2.924 1.00 0.32 H new ATOM 0 HG22 VAL A 573 4.110 -6.334 -3.586 1.00 0.32 H new ATOM 0 HG23 VAL A 573 3.954 -7.449 -2.208 1.00 0.32 H new ATOM 1147 N GLN A 574 2.750 -10.983 -4.892 1.00 0.23 N ATOM 1148 CA GLN A 574 2.615 -12.172 -5.732 1.00 0.25 C ATOM 1149 C GLN A 574 1.226 -12.240 -6.353 1.00 0.23 C ATOM 1150 O GLN A 574 1.073 -12.614 -7.517 1.00 0.26 O ATOM 1151 CB GLN A 574 2.875 -13.441 -4.918 1.00 0.28 C ATOM 1152 CG GLN A 574 4.314 -13.594 -4.463 1.00 0.33 C ATOM 1153 CD GLN A 574 4.527 -14.820 -3.598 1.00 1.30 C ATOM 1154 OE1 GLN A 574 4.821 -15.906 -4.097 1.00 2.04 O ATOM 1155 NE2 GLN A 574 4.383 -14.654 -2.293 1.00 2.09 N ATOM 0 H GLN A 574 2.948 -11.180 -3.911 1.00 0.23 H new ATOM 0 HA GLN A 574 3.356 -12.103 -6.529 1.00 0.25 H new ATOM 0 HB2 GLN A 574 2.225 -13.439 -4.043 1.00 0.28 H new ATOM 0 HB3 GLN A 574 2.599 -14.309 -5.518 1.00 0.28 H new ATOM 0 HG2 GLN A 574 4.963 -13.654 -5.337 1.00 0.33 H new ATOM 0 HG3 GLN A 574 4.611 -12.705 -3.906 1.00 0.33 H new ATOM 0 HE21 GLN A 574 4.139 -13.737 -1.919 1.00 2.09 H new ATOM 0 HE22 GLN A 574 4.516 -15.443 -1.661 1.00 2.09 H new ATOM 1164 N TYR A 575 0.224 -11.861 -5.574 1.00 0.20 N ATOM 1165 CA TYR A 575 -1.150 -11.896 -6.040 1.00 0.20 C ATOM 1166 C TYR A 575 -1.380 -10.847 -7.125 1.00 0.20 C ATOM 1167 O TYR A 575 -1.853 -11.167 -8.210 1.00 0.22 O ATOM 1168 CB TYR A 575 -2.122 -11.680 -4.875 1.00 0.20 C ATOM 1169 CG TYR A 575 -3.571 -11.584 -5.298 1.00 0.22 C ATOM 1170 CD1 TYR A 575 -4.267 -10.390 -5.181 1.00 0.26 C ATOM 1171 CD2 TYR A 575 -4.240 -12.684 -5.822 1.00 0.33 C ATOM 1172 CE1 TYR A 575 -5.586 -10.290 -5.572 1.00 0.34 C ATOM 1173 CE2 TYR A 575 -5.561 -12.593 -6.215 1.00 0.40 C ATOM 1174 CZ TYR A 575 -6.230 -11.393 -6.088 1.00 0.39 C ATOM 1175 OH TYR A 575 -7.543 -11.292 -6.487 1.00 0.48 O ATOM 0 H TYR A 575 0.339 -11.526 -4.617 1.00 0.20 H new ATOM 0 HA TYR A 575 -1.337 -12.881 -6.468 1.00 0.20 H new ATOM 0 HB2 TYR A 575 -2.014 -12.501 -4.167 1.00 0.20 H new ATOM 0 HB3 TYR A 575 -1.846 -10.767 -4.348 1.00 0.20 H new ATOM 0 HD1 TYR A 575 -3.767 -9.523 -4.776 1.00 0.26 H new ATOM 0 HD2 TYR A 575 -3.719 -13.624 -5.923 1.00 0.33 H new ATOM 0 HE1 TYR A 575 -6.111 -9.351 -5.474 1.00 0.34 H new ATOM 0 HE2 TYR A 575 -6.068 -13.457 -6.620 1.00 0.40 H new ATOM 0 HH TYR A 575 -7.849 -12.158 -6.828 1.00 0.48 H new ATOM 1185 N TYR A 576 -1.017 -9.602 -6.834 1.00 0.21 N ATOM 1186 CA TYR A 576 -1.247 -8.498 -7.764 1.00 0.25 C ATOM 1187 C TYR A 576 -0.291 -8.525 -8.959 1.00 0.30 C ATOM 1188 O TYR A 576 -0.506 -7.809 -9.936 1.00 0.34 O ATOM 1189 CB TYR A 576 -1.190 -7.150 -7.039 1.00 0.28 C ATOM 1190 CG TYR A 576 -2.277 -6.996 -5.993 1.00 0.26 C ATOM 1191 CD1 TYR A 576 -3.613 -6.987 -6.354 1.00 0.32 C ATOM 1192 CD2 TYR A 576 -1.963 -6.835 -4.649 1.00 0.32 C ATOM 1193 CE1 TYR A 576 -4.610 -6.819 -5.413 1.00 0.31 C ATOM 1194 CE2 TYR A 576 -2.955 -6.674 -3.698 1.00 0.36 C ATOM 1195 CZ TYR A 576 -4.264 -6.765 -4.060 1.00 0.29 C ATOM 1196 OH TYR A 576 -5.268 -6.494 -3.149 1.00 0.35 O ATOM 0 H TYR A 576 -0.562 -9.331 -5.962 1.00 0.21 H new ATOM 0 HA TYR A 576 -2.251 -8.629 -8.167 1.00 0.25 H new ATOM 0 HB2 TYR A 576 -0.216 -7.041 -6.562 1.00 0.28 H new ATOM 0 HB3 TYR A 576 -1.279 -6.346 -7.770 1.00 0.28 H new ATOM 0 HD1 TYR A 576 -3.881 -7.114 -7.392 1.00 0.32 H new ATOM 0 HD2 TYR A 576 -0.928 -6.836 -4.342 1.00 0.32 H new ATOM 0 HE1 TYR A 576 -5.642 -6.731 -5.718 1.00 0.31 H new ATOM 0 HE2 TYR A 576 -2.691 -6.476 -2.670 1.00 0.36 H new ATOM 0 HH TYR A 576 -6.141 -6.625 -3.575 1.00 0.35 H new ATOM 1206 N GLN A 577 0.768 -9.327 -8.881 1.00 0.31 N ATOM 1207 CA GLN A 577 1.619 -9.553 -10.048 1.00 0.38 C ATOM 1208 C GLN A 577 0.811 -10.265 -11.126 1.00 0.37 C ATOM 1209 O GLN A 577 0.894 -9.929 -12.309 1.00 0.42 O ATOM 1210 CB GLN A 577 2.848 -10.405 -9.707 1.00 0.45 C ATOM 1211 CG GLN A 577 3.928 -9.697 -8.901 1.00 0.52 C ATOM 1212 CD GLN A 577 4.704 -8.655 -9.688 1.00 1.04 C ATOM 1213 OE1 GLN A 577 4.177 -7.997 -10.583 1.00 1.89 O ATOM 1214 NE2 GLN A 577 5.978 -8.511 -9.359 1.00 1.57 N ATOM 0 H GLN A 577 1.055 -9.824 -8.038 1.00 0.31 H new ATOM 0 HA GLN A 577 1.967 -8.581 -10.398 1.00 0.38 H new ATOM 0 HB2 GLN A 577 2.518 -11.282 -9.150 1.00 0.45 H new ATOM 0 HB3 GLN A 577 3.289 -10.765 -10.636 1.00 0.45 H new ATOM 0 HG2 GLN A 577 3.467 -9.216 -8.038 1.00 0.52 H new ATOM 0 HG3 GLN A 577 4.626 -10.441 -8.516 1.00 0.52 H new ATOM 0 HE21 GLN A 577 6.378 -9.076 -8.610 1.00 1.57 H new ATOM 0 HE22 GLN A 577 6.559 -7.835 -9.854 1.00 1.57 H new ATOM 1223 N GLU A 578 0.027 -11.249 -10.700 1.00 0.35 N ATOM 1224 CA GLU A 578 -0.803 -12.016 -11.618 1.00 0.38 C ATOM 1225 C GLU A 578 -2.202 -11.418 -11.755 1.00 0.33 C ATOM 1226 O GLU A 578 -2.761 -11.381 -12.850 1.00 0.36 O ATOM 1227 CB GLU A 578 -0.911 -13.455 -11.129 1.00 0.42 C ATOM 1228 CG GLU A 578 0.428 -14.150 -10.984 1.00 0.52 C ATOM 1229 CD GLU A 578 0.292 -15.514 -10.355 1.00 1.24 C ATOM 1230 OE1 GLU A 578 0.214 -15.598 -9.113 1.00 2.14 O ATOM 1231 OE2 GLU A 578 0.277 -16.516 -11.098 1.00 1.31 O ATOM 0 H GLU A 578 -0.050 -11.534 -9.724 1.00 0.35 H new ATOM 0 HA GLU A 578 -0.329 -11.986 -12.599 1.00 0.38 H new ATOM 0 HB2 GLU A 578 -1.422 -13.465 -10.166 1.00 0.42 H new ATOM 0 HB3 GLU A 578 -1.531 -14.021 -11.825 1.00 0.42 H new ATOM 0 HG2 GLU A 578 0.894 -14.248 -11.965 1.00 0.52 H new ATOM 0 HG3 GLU A 578 1.092 -13.535 -10.376 1.00 0.52 H new ATOM 1238 N LYS A 579 -2.769 -10.949 -10.650 1.00 0.29 N ATOM 1239 CA LYS A 579 -4.087 -10.325 -10.667 1.00 0.28 C ATOM 1240 C LYS A 579 -4.040 -8.978 -9.951 1.00 0.25 C ATOM 1241 O LYS A 579 -4.329 -8.897 -8.755 1.00 0.24 O ATOM 1242 CB LYS A 579 -5.117 -11.224 -9.970 1.00 0.31 C ATOM 1243 CG LYS A 579 -5.233 -12.623 -10.554 1.00 0.42 C ATOM 1244 CD LYS A 579 -6.222 -13.463 -9.763 1.00 0.69 C ATOM 1245 CE LYS A 579 -6.314 -14.883 -10.297 1.00 1.69 C ATOM 1246 NZ LYS A 579 -7.262 -15.710 -9.505 1.00 2.46 N ATOM 0 H LYS A 579 -2.335 -10.989 -9.728 1.00 0.29 H new ATOM 0 HA LYS A 579 -4.380 -10.179 -11.707 1.00 0.28 H new ATOM 0 HB2 LYS A 579 -4.854 -11.305 -8.915 1.00 0.31 H new ATOM 0 HB3 LYS A 579 -6.093 -10.742 -10.019 1.00 0.31 H new ATOM 0 HG2 LYS A 579 -5.553 -12.561 -11.594 1.00 0.42 H new ATOM 0 HG3 LYS A 579 -4.255 -13.105 -10.549 1.00 0.42 H new ATOM 0 HD2 LYS A 579 -5.921 -13.488 -8.716 1.00 0.69 H new ATOM 0 HD3 LYS A 579 -7.206 -12.996 -9.801 1.00 0.69 H new ATOM 0 HE2 LYS A 579 -6.634 -14.860 -11.339 1.00 1.69 H new ATOM 0 HE3 LYS A 579 -5.326 -15.343 -10.278 1.00 1.69 H new ATOM 0 HZ1 LYS A 579 -7.297 -16.672 -9.900 1.00 2.46 H new ATOM 0 HZ2 LYS A 579 -6.943 -15.753 -8.516 1.00 2.46 H new ATOM 0 HZ3 LYS A 579 -8.210 -15.285 -9.544 1.00 2.46 H new ATOM 1260 N PRO A 580 -3.668 -7.907 -10.663 1.00 0.26 N ATOM 1261 CA PRO A 580 -3.578 -6.563 -10.081 1.00 0.25 C ATOM 1262 C PRO A 580 -4.944 -6.031 -9.653 1.00 0.22 C ATOM 1263 O PRO A 580 -5.979 -6.505 -10.120 1.00 0.22 O ATOM 1264 CB PRO A 580 -3.003 -5.712 -11.217 1.00 0.27 C ATOM 1265 CG PRO A 580 -3.330 -6.458 -12.461 1.00 0.37 C ATOM 1266 CD PRO A 580 -3.308 -7.914 -12.091 1.00 0.32 C ATOM 0 HA PRO A 580 -2.967 -6.551 -9.178 1.00 0.25 H new ATOM 0 HB2 PRO A 580 -3.445 -4.716 -11.227 1.00 0.27 H new ATOM 0 HB3 PRO A 580 -1.926 -5.582 -11.106 1.00 0.27 H new ATOM 0 HG2 PRO A 580 -4.308 -6.168 -12.844 1.00 0.37 H new ATOM 0 HG3 PRO A 580 -2.604 -6.244 -13.246 1.00 0.37 H new ATOM 0 HD2 PRO A 580 -4.020 -8.490 -12.682 1.00 0.32 H new ATOM 0 HD3 PRO A 580 -2.325 -8.356 -12.256 1.00 0.32 H new ATOM 1274 N ALA A 581 -4.944 -5.033 -8.778 1.00 0.22 N ATOM 1275 CA ALA A 581 -6.193 -4.451 -8.304 1.00 0.22 C ATOM 1276 C ALA A 581 -6.585 -3.292 -9.204 1.00 0.20 C ATOM 1277 O ALA A 581 -5.769 -2.431 -9.498 1.00 0.19 O ATOM 1278 CB ALA A 581 -6.045 -3.974 -6.867 1.00 0.27 C ATOM 0 H ALA A 581 -4.101 -4.613 -8.385 1.00 0.22 H new ATOM 0 HA ALA A 581 -6.974 -5.211 -8.334 1.00 0.22 H new ATOM 0 HB1 ALA A 581 -6.987 -3.542 -6.528 1.00 0.27 H new ATOM 0 HB2 ALA A 581 -5.782 -4.818 -6.229 1.00 0.27 H new ATOM 0 HB3 ALA A 581 -5.260 -3.220 -6.813 1.00 0.27 H new ATOM 1284 N ILE A 582 -7.825 -3.286 -9.658 1.00 0.23 N ATOM 1285 CA ILE A 582 -8.254 -2.312 -10.648 1.00 0.26 C ATOM 1286 C ILE A 582 -9.130 -1.226 -10.029 1.00 0.28 C ATOM 1287 O ILE A 582 -10.179 -1.515 -9.449 1.00 0.33 O ATOM 1288 CB ILE A 582 -9.017 -3.000 -11.800 1.00 0.35 C ATOM 1289 CG1 ILE A 582 -8.163 -4.117 -12.408 1.00 0.39 C ATOM 1290 CG2 ILE A 582 -9.399 -1.985 -12.868 1.00 0.39 C ATOM 1291 CD1 ILE A 582 -8.863 -4.901 -13.499 1.00 0.51 C ATOM 0 H ILE A 582 -8.549 -3.939 -9.360 1.00 0.23 H new ATOM 0 HA ILE A 582 -7.354 -1.841 -11.044 1.00 0.26 H new ATOM 0 HB ILE A 582 -9.931 -3.438 -11.398 1.00 0.35 H new ATOM 0 HG12 ILE A 582 -7.250 -3.682 -12.815 1.00 0.39 H new ATOM 0 HG13 ILE A 582 -7.863 -4.804 -11.616 1.00 0.39 H new ATOM 0 HG21 ILE A 582 -9.936 -2.488 -13.672 1.00 0.39 H new ATOM 0 HG22 ILE A 582 -10.037 -1.218 -12.429 1.00 0.39 H new ATOM 0 HG23 ILE A 582 -8.497 -1.521 -13.268 1.00 0.39 H new ATOM 0 HD11 ILE A 582 -8.194 -5.673 -13.879 1.00 0.51 H new ATOM 0 HD12 ILE A 582 -9.761 -5.367 -13.093 1.00 0.51 H new ATOM 0 HD13 ILE A 582 -9.139 -4.228 -14.311 1.00 0.51 H new ATOM 1303 N ILE A 583 -8.684 0.020 -10.159 1.00 0.28 N ATOM 1304 CA ILE A 583 -9.442 1.178 -9.702 1.00 0.33 C ATOM 1305 C ILE A 583 -9.623 2.156 -10.857 1.00 0.36 C ATOM 1306 O ILE A 583 -8.645 2.707 -11.363 1.00 0.35 O ATOM 1307 CB ILE A 583 -8.743 1.909 -8.533 1.00 0.32 C ATOM 1308 CG1 ILE A 583 -8.672 1.017 -7.289 1.00 0.32 C ATOM 1309 CG2 ILE A 583 -9.467 3.210 -8.212 1.00 0.38 C ATOM 1310 CD1 ILE A 583 -10.022 0.702 -6.681 1.00 0.51 C ATOM 0 H ILE A 583 -7.787 0.254 -10.584 1.00 0.28 H new ATOM 0 HA ILE A 583 -10.407 0.816 -9.346 1.00 0.33 H new ATOM 0 HB ILE A 583 -7.724 2.141 -8.841 1.00 0.32 H new ATOM 0 HG12 ILE A 583 -8.176 0.083 -7.552 1.00 0.32 H new ATOM 0 HG13 ILE A 583 -8.052 1.507 -6.538 1.00 0.32 H new ATOM 0 HG21 ILE A 583 -8.963 3.713 -7.387 1.00 0.38 H new ATOM 0 HG22 ILE A 583 -9.460 3.856 -9.090 1.00 0.38 H new ATOM 0 HG23 ILE A 583 -10.497 2.993 -7.929 1.00 0.38 H new ATOM 0 HD11 ILE A 583 -9.887 0.067 -5.805 1.00 0.51 H new ATOM 0 HD12 ILE A 583 -10.513 1.629 -6.385 1.00 0.51 H new ATOM 0 HD13 ILE A 583 -10.639 0.183 -7.414 1.00 0.51 H new ATOM 1322 N ASN A 584 -10.868 2.338 -11.290 1.00 0.41 N ATOM 1323 CA ASN A 584 -11.196 3.200 -12.433 1.00 0.47 C ATOM 1324 C ASN A 584 -10.470 2.718 -13.681 1.00 0.45 C ATOM 1325 O ASN A 584 -10.096 3.510 -14.550 1.00 0.50 O ATOM 1326 CB ASN A 584 -10.831 4.670 -12.185 1.00 0.55 C ATOM 1327 CG ASN A 584 -11.503 5.276 -10.973 1.00 0.62 C ATOM 1328 OD1 ASN A 584 -12.557 4.821 -10.523 1.00 1.10 O ATOM 1329 ND2 ASN A 584 -10.908 6.338 -10.460 1.00 0.91 N ATOM 0 H ASN A 584 -11.681 1.894 -10.862 1.00 0.41 H new ATOM 0 HA ASN A 584 -12.275 3.138 -12.571 1.00 0.47 H new ATOM 0 HB2 ASN A 584 -9.750 4.750 -12.066 1.00 0.55 H new ATOM 0 HB3 ASN A 584 -11.099 5.254 -13.066 1.00 0.55 H new ATOM 0 HD21 ASN A 584 -11.320 6.816 -9.659 1.00 0.91 H new ATOM 0 HD22 ASN A 584 -10.036 6.680 -10.865 1.00 0.91 H new ATOM 1336 N GLY A 585 -10.281 1.414 -13.766 1.00 0.42 N ATOM 1337 CA GLY A 585 -9.620 0.829 -14.908 1.00 0.44 C ATOM 1338 C GLY A 585 -8.106 0.858 -14.808 1.00 0.39 C ATOM 1339 O GLY A 585 -7.418 0.434 -15.735 1.00 0.42 O ATOM 0 H GLY A 585 -10.577 0.744 -13.056 1.00 0.42 H new ATOM 0 HA2 GLY A 585 -9.950 -0.204 -15.020 1.00 0.44 H new ATOM 0 HA3 GLY A 585 -9.928 1.361 -15.808 1.00 0.44 H new ATOM 1343 N GLU A 586 -7.580 1.341 -13.690 1.00 0.35 N ATOM 1344 CA GLU A 586 -6.136 1.408 -13.505 1.00 0.32 C ATOM 1345 C GLU A 586 -5.659 0.258 -12.627 1.00 0.24 C ATOM 1346 O GLU A 586 -6.173 0.050 -11.526 1.00 0.26 O ATOM 1347 CB GLU A 586 -5.743 2.745 -12.869 1.00 0.43 C ATOM 1348 CG GLU A 586 -6.093 3.958 -13.719 1.00 0.57 C ATOM 1349 CD GLU A 586 -5.272 4.042 -14.988 1.00 0.91 C ATOM 1350 OE1 GLU A 586 -4.273 4.791 -15.006 1.00 0.90 O ATOM 1351 OE2 GLU A 586 -5.619 3.367 -15.978 1.00 1.79 O ATOM 0 H GLU A 586 -8.127 1.690 -12.903 1.00 0.35 H new ATOM 0 HA GLU A 586 -5.660 1.327 -14.482 1.00 0.32 H new ATOM 0 HB2 GLU A 586 -6.238 2.836 -11.902 1.00 0.43 H new ATOM 0 HB3 GLU A 586 -4.670 2.744 -12.679 1.00 0.43 H new ATOM 0 HG2 GLU A 586 -7.151 3.921 -13.978 1.00 0.57 H new ATOM 0 HG3 GLU A 586 -5.940 4.864 -13.132 1.00 0.57 H new ATOM 1358 N LYS A 587 -4.699 -0.500 -13.142 1.00 0.21 N ATOM 1359 CA LYS A 587 -4.105 -1.611 -12.406 1.00 0.19 C ATOM 1360 C LYS A 587 -3.127 -1.118 -11.350 1.00 0.17 C ATOM 1361 O LYS A 587 -2.094 -0.526 -11.673 1.00 0.22 O ATOM 1362 CB LYS A 587 -3.382 -2.553 -13.364 1.00 0.23 C ATOM 1363 CG LYS A 587 -4.277 -3.138 -14.441 1.00 0.33 C ATOM 1364 CD LYS A 587 -3.494 -4.048 -15.371 1.00 1.14 C ATOM 1365 CE LYS A 587 -4.372 -4.594 -16.481 1.00 1.10 C ATOM 1366 NZ LYS A 587 -3.624 -5.503 -17.386 1.00 1.67 N ATOM 0 H LYS A 587 -4.312 -0.364 -14.076 1.00 0.21 H new ATOM 0 HA LYS A 587 -4.914 -2.144 -11.907 1.00 0.19 H new ATOM 0 HB2 LYS A 587 -2.562 -2.014 -13.839 1.00 0.23 H new ATOM 0 HB3 LYS A 587 -2.938 -3.368 -12.792 1.00 0.23 H new ATOM 0 HG2 LYS A 587 -5.089 -3.699 -13.978 1.00 0.33 H new ATOM 0 HG3 LYS A 587 -4.733 -2.332 -15.016 1.00 0.33 H new ATOM 0 HD2 LYS A 587 -2.659 -3.497 -15.804 1.00 1.14 H new ATOM 0 HD3 LYS A 587 -3.069 -4.875 -14.801 1.00 1.14 H new ATOM 0 HE2 LYS A 587 -5.216 -5.130 -16.046 1.00 1.10 H new ATOM 0 HE3 LYS A 587 -4.784 -3.766 -17.058 1.00 1.10 H new ATOM 0 HZ1 LYS A 587 -4.261 -5.854 -18.130 1.00 1.67 H new ATOM 0 HZ2 LYS A 587 -2.834 -4.986 -17.822 1.00 1.67 H new ATOM 0 HZ3 LYS A 587 -3.253 -6.307 -16.841 1.00 1.67 H new ATOM 1380 N LEU A 588 -3.448 -1.381 -10.093 1.00 0.15 N ATOM 1381 CA LEU A 588 -2.609 -0.979 -8.981 1.00 0.15 C ATOM 1382 C LEU A 588 -1.448 -1.947 -8.823 1.00 0.17 C ATOM 1383 O LEU A 588 -1.629 -3.165 -8.896 1.00 0.21 O ATOM 1384 CB LEU A 588 -3.422 -0.952 -7.688 1.00 0.16 C ATOM 1385 CG LEU A 588 -4.733 -0.168 -7.756 1.00 0.18 C ATOM 1386 CD1 LEU A 588 -5.433 -0.189 -6.411 1.00 0.24 C ATOM 1387 CD2 LEU A 588 -4.487 1.257 -8.212 1.00 0.16 C ATOM 0 H LEU A 588 -4.295 -1.878 -9.818 1.00 0.15 H new ATOM 0 HA LEU A 588 -2.223 0.020 -9.185 1.00 0.15 H new ATOM 0 HB2 LEU A 588 -3.646 -1.978 -7.398 1.00 0.16 H new ATOM 0 HB3 LEU A 588 -2.803 -0.526 -6.898 1.00 0.16 H new ATOM 0 HG LEU A 588 -5.381 -0.648 -8.489 1.00 0.18 H new ATOM 0 HD11 LEU A 588 -6.364 0.374 -6.477 1.00 0.24 H new ATOM 0 HD12 LEU A 588 -5.651 -1.219 -6.130 1.00 0.24 H new ATOM 0 HD13 LEU A 588 -4.788 0.264 -5.658 1.00 0.24 H new ATOM 0 HD21 LEU A 588 -5.434 1.795 -8.253 1.00 0.16 H new ATOM 0 HD22 LEU A 588 -3.818 1.753 -7.509 1.00 0.16 H new ATOM 0 HD23 LEU A 588 -4.032 1.249 -9.202 1.00 0.16 H new ATOM 1399 N LEU A 589 -0.266 -1.403 -8.597 1.00 0.17 N ATOM 1400 CA LEU A 589 0.922 -2.224 -8.445 1.00 0.19 C ATOM 1401 C LEU A 589 1.449 -2.146 -7.017 1.00 0.18 C ATOM 1402 O LEU A 589 1.929 -1.098 -6.582 1.00 0.18 O ATOM 1403 CB LEU A 589 2.005 -1.793 -9.435 1.00 0.23 C ATOM 1404 CG LEU A 589 3.244 -2.690 -9.463 1.00 0.30 C ATOM 1405 CD1 LEU A 589 2.874 -4.088 -9.926 1.00 0.37 C ATOM 1406 CD2 LEU A 589 4.312 -2.098 -10.364 1.00 0.38 C ATOM 0 H LEU A 589 -0.103 -0.399 -8.515 1.00 0.17 H new ATOM 0 HA LEU A 589 0.651 -3.258 -8.658 1.00 0.19 H new ATOM 0 HB2 LEU A 589 1.572 -1.764 -10.435 1.00 0.23 H new ATOM 0 HB3 LEU A 589 2.315 -0.777 -9.192 1.00 0.23 H new ATOM 0 HG LEU A 589 3.646 -2.754 -8.452 1.00 0.30 H new ATOM 0 HD11 LEU A 589 3.766 -4.714 -9.941 1.00 0.37 H new ATOM 0 HD12 LEU A 589 2.141 -4.516 -9.242 1.00 0.37 H new ATOM 0 HD13 LEU A 589 2.449 -4.039 -10.928 1.00 0.37 H new ATOM 0 HD21 LEU A 589 5.185 -2.750 -10.371 1.00 0.38 H new ATOM 0 HD22 LEU A 589 3.922 -2.004 -11.377 1.00 0.38 H new ATOM 0 HD23 LEU A 589 4.597 -1.114 -9.992 1.00 0.38 H new ATOM 1418 N ILE A 590 1.349 -3.251 -6.292 1.00 0.18 N ATOM 1419 CA ILE A 590 1.881 -3.330 -4.938 1.00 0.18 C ATOM 1420 C ILE A 590 3.205 -4.085 -4.944 1.00 0.20 C ATOM 1421 O ILE A 590 3.253 -5.249 -5.338 1.00 0.26 O ATOM 1422 CB ILE A 590 0.899 -4.036 -3.974 1.00 0.19 C ATOM 1423 CG1 ILE A 590 -0.456 -3.317 -3.975 1.00 0.19 C ATOM 1424 CG2 ILE A 590 1.481 -4.091 -2.565 1.00 0.19 C ATOM 1425 CD1 ILE A 590 -1.420 -3.814 -2.917 1.00 0.21 C ATOM 0 H ILE A 590 0.903 -4.108 -6.620 1.00 0.18 H new ATOM 0 HA ILE A 590 2.030 -2.309 -4.586 1.00 0.18 H new ATOM 0 HB ILE A 590 0.746 -5.059 -4.319 1.00 0.19 H new ATOM 0 HG12 ILE A 590 -0.289 -2.250 -3.827 1.00 0.19 H new ATOM 0 HG13 ILE A 590 -0.917 -3.435 -4.956 1.00 0.19 H new ATOM 0 HG21 ILE A 590 0.777 -4.591 -1.900 1.00 0.19 H new ATOM 0 HG22 ILE A 590 2.420 -4.644 -2.581 1.00 0.19 H new ATOM 0 HG23 ILE A 590 1.662 -3.078 -2.206 1.00 0.19 H new ATOM 0 HD11 ILE A 590 -2.354 -3.255 -2.984 1.00 0.21 H new ATOM 0 HD12 ILE A 590 -1.619 -4.874 -3.075 1.00 0.21 H new ATOM 0 HD13 ILE A 590 -0.982 -3.671 -1.929 1.00 0.21 H new ATOM 1437 N ARG A 591 4.277 -3.419 -4.526 1.00 0.18 N ATOM 1438 CA ARG A 591 5.608 -4.021 -4.519 1.00 0.22 C ATOM 1439 C ARG A 591 6.437 -3.482 -3.358 1.00 0.18 C ATOM 1440 O ARG A 591 6.080 -2.482 -2.737 1.00 0.19 O ATOM 1441 CB ARG A 591 6.333 -3.767 -5.844 1.00 0.33 C ATOM 1442 CG ARG A 591 5.779 -4.581 -7.002 1.00 0.45 C ATOM 1443 CD ARG A 591 6.605 -4.407 -8.262 1.00 0.65 C ATOM 1444 NE ARG A 591 6.059 -5.173 -9.382 1.00 1.33 N ATOM 1445 CZ ARG A 591 6.584 -5.175 -10.605 1.00 1.69 C ATOM 1446 NH1 ARG A 591 7.688 -4.484 -10.859 1.00 1.56 N ATOM 1447 NH2 ARG A 591 6.010 -5.879 -11.573 1.00 2.62 N ATOM 0 H ARG A 591 4.250 -2.458 -4.186 1.00 0.18 H new ATOM 0 HA ARG A 591 5.486 -5.097 -4.394 1.00 0.22 H new ATOM 0 HB2 ARG A 591 6.265 -2.707 -6.089 1.00 0.33 H new ATOM 0 HB3 ARG A 591 7.391 -3.998 -5.721 1.00 0.33 H new ATOM 0 HG2 ARG A 591 5.755 -5.635 -6.726 1.00 0.45 H new ATOM 0 HG3 ARG A 591 4.750 -4.280 -7.198 1.00 0.45 H new ATOM 0 HD2 ARG A 591 6.642 -3.351 -8.529 1.00 0.65 H new ATOM 0 HD3 ARG A 591 7.630 -4.724 -8.071 1.00 0.65 H new ATOM 0 HE ARG A 591 5.227 -5.739 -9.216 1.00 1.33 H new ATOM 0 HH11 ARG A 591 8.137 -3.949 -10.116 1.00 1.56 H new ATOM 0 HH12 ARG A 591 8.088 -4.488 -11.797 1.00 1.56 H new ATOM 0 HH21 ARG A 591 5.166 -6.419 -11.380 1.00 2.62 H new ATOM 0 HH22 ARG A 591 6.413 -5.880 -12.510 1.00 2.62 H new ATOM 1461 N MET A 592 7.543 -4.152 -3.074 1.00 0.17 N ATOM 1462 CA MET A 592 8.396 -3.786 -1.949 1.00 0.18 C ATOM 1463 C MET A 592 9.318 -2.638 -2.342 1.00 0.21 C ATOM 1464 O MET A 592 9.775 -2.565 -3.481 1.00 0.29 O ATOM 1465 CB MET A 592 9.202 -4.996 -1.481 1.00 0.19 C ATOM 1466 CG MET A 592 8.337 -6.103 -0.902 1.00 0.22 C ATOM 1467 SD MET A 592 9.293 -7.532 -0.363 1.00 0.29 S ATOM 1468 CE MET A 592 8.015 -8.492 0.444 1.00 0.34 C ATOM 0 H MET A 592 7.874 -4.956 -3.608 1.00 0.17 H new ATOM 0 HA MET A 592 7.769 -3.454 -1.122 1.00 0.18 H new ATOM 0 HB2 MET A 592 9.773 -5.391 -2.321 1.00 0.19 H new ATOM 0 HB3 MET A 592 9.923 -4.676 -0.729 1.00 0.19 H new ATOM 0 HG2 MET A 592 7.772 -5.711 -0.057 1.00 0.22 H new ATOM 0 HG3 MET A 592 7.611 -6.419 -1.651 1.00 0.22 H new ATOM 0 HE1 MET A 592 8.445 -9.414 0.835 1.00 0.34 H new ATOM 0 HE2 MET A 592 7.589 -7.914 1.264 1.00 0.34 H new ATOM 0 HE3 MET A 592 7.232 -8.733 -0.275 1.00 0.34 H new ATOM 1478 N SER A 593 9.586 -1.744 -1.401 1.00 0.23 N ATOM 1479 CA SER A 593 10.318 -0.521 -1.708 1.00 0.26 C ATOM 1480 C SER A 593 11.820 -0.650 -1.458 1.00 0.25 C ATOM 1481 O SER A 593 12.264 -1.218 -0.455 1.00 0.27 O ATOM 1482 CB SER A 593 9.743 0.631 -0.901 1.00 0.34 C ATOM 1483 OG SER A 593 8.347 0.736 -1.115 1.00 1.37 O ATOM 0 H SER A 593 9.310 -1.840 -0.424 1.00 0.23 H new ATOM 0 HA SER A 593 10.197 -0.327 -2.774 1.00 0.26 H new ATOM 0 HB2 SER A 593 9.944 0.477 0.159 1.00 0.34 H new ATOM 0 HB3 SER A 593 10.232 1.563 -1.186 1.00 0.34 H new ATOM 0 HG SER A 593 7.895 -0.034 -0.710 1.00 1.37 H new ATOM 1489 N THR A 594 12.581 -0.105 -2.396 1.00 0.27 N ATOM 1490 CA THR A 594 14.035 -0.174 -2.373 1.00 0.30 C ATOM 1491 C THR A 594 14.671 1.026 -1.664 1.00 0.31 C ATOM 1492 O THR A 594 15.833 0.970 -1.263 1.00 0.33 O ATOM 1493 CB THR A 594 14.584 -0.260 -3.808 1.00 0.35 C ATOM 1494 OG1 THR A 594 13.952 0.735 -4.626 1.00 0.38 O ATOM 1495 CG2 THR A 594 14.346 -1.639 -4.400 1.00 0.38 C ATOM 0 H THR A 594 12.205 0.400 -3.199 1.00 0.27 H new ATOM 0 HA THR A 594 14.297 -1.070 -1.811 1.00 0.30 H new ATOM 0 HB THR A 594 15.659 -0.082 -3.777 1.00 0.35 H new ATOM 0 HG1 THR A 594 14.304 0.680 -5.539 1.00 0.38 H new ATOM 0 HG21 THR A 594 14.743 -1.673 -5.414 1.00 0.38 H new ATOM 0 HG22 THR A 594 14.848 -2.389 -3.788 1.00 0.38 H new ATOM 0 HG23 THR A 594 13.276 -1.846 -4.422 1.00 0.38 H new ATOM 1503 N ARG A 595 13.913 2.103 -1.493 1.00 0.32 N ATOM 1504 CA ARG A 595 14.507 3.370 -1.077 1.00 0.37 C ATOM 1505 C ARG A 595 14.328 3.634 0.417 1.00 0.37 C ATOM 1506 O ARG A 595 15.155 4.307 1.035 1.00 0.41 O ATOM 1507 CB ARG A 595 13.897 4.520 -1.878 1.00 0.41 C ATOM 1508 CG ARG A 595 14.025 4.352 -3.381 1.00 0.46 C ATOM 1509 CD ARG A 595 13.437 5.539 -4.124 1.00 0.56 C ATOM 1510 NE ARG A 595 13.290 5.279 -5.553 1.00 1.36 N ATOM 1511 CZ ARG A 595 12.828 6.169 -6.430 1.00 1.67 C ATOM 1512 NH1 ARG A 595 12.504 7.393 -6.032 1.00 1.16 N ATOM 1513 NH2 ARG A 595 12.697 5.836 -7.708 1.00 2.75 N ATOM 0 H ARG A 595 12.903 2.127 -1.633 1.00 0.32 H new ATOM 0 HA ARG A 595 15.577 3.304 -1.273 1.00 0.37 H new ATOM 0 HB2 ARG A 595 12.842 4.611 -1.620 1.00 0.41 H new ATOM 0 HB3 ARG A 595 14.379 5.452 -1.583 1.00 0.41 H new ATOM 0 HG2 ARG A 595 15.076 4.238 -3.648 1.00 0.46 H new ATOM 0 HG3 ARG A 595 13.517 3.439 -3.691 1.00 0.46 H new ATOM 0 HD2 ARG A 595 12.464 5.785 -3.699 1.00 0.56 H new ATOM 0 HD3 ARG A 595 14.077 6.409 -3.979 1.00 0.56 H new ATOM 0 HE ARG A 595 13.558 4.359 -5.902 1.00 1.36 H new ATOM 0 HH11 ARG A 595 12.608 7.655 -5.052 1.00 1.16 H new ATOM 0 HH12 ARG A 595 12.151 8.072 -6.706 1.00 1.16 H new ATOM 0 HH21 ARG A 595 12.950 4.898 -8.019 1.00 2.75 H new ATOM 0 HH22 ARG A 595 12.343 6.518 -8.379 1.00 2.75 H new ATOM 1527 N TYR A 596 13.258 3.108 0.994 1.00 0.35 N ATOM 1528 CA TYR A 596 12.975 3.330 2.410 1.00 0.37 C ATOM 1529 C TYR A 596 12.819 2.022 3.166 1.00 0.35 C ATOM 1530 O TYR A 596 12.409 1.007 2.600 1.00 0.36 O ATOM 1531 CB TYR A 596 11.724 4.196 2.581 1.00 0.39 C ATOM 1532 CG TYR A 596 11.961 5.661 2.284 1.00 0.43 C ATOM 1533 CD1 TYR A 596 12.083 6.122 0.980 1.00 0.48 C ATOM 1534 CD2 TYR A 596 12.071 6.583 3.316 1.00 0.54 C ATOM 1535 CE1 TYR A 596 12.311 7.458 0.714 1.00 0.54 C ATOM 1536 CE2 TYR A 596 12.296 7.921 3.057 1.00 0.61 C ATOM 1537 CZ TYR A 596 12.416 8.352 1.755 1.00 0.56 C ATOM 1538 OH TYR A 596 12.642 9.685 1.494 1.00 0.65 O ATOM 0 H TYR A 596 12.573 2.527 0.510 1.00 0.35 H new ATOM 0 HA TYR A 596 13.830 3.857 2.834 1.00 0.37 H new ATOM 0 HB2 TYR A 596 10.940 3.822 1.923 1.00 0.39 H new ATOM 0 HB3 TYR A 596 11.358 4.095 3.603 1.00 0.39 H new ATOM 0 HD1 TYR A 596 11.998 5.424 0.160 1.00 0.48 H new ATOM 0 HD2 TYR A 596 11.979 6.248 4.339 1.00 0.54 H new ATOM 0 HE1 TYR A 596 12.406 7.799 -0.306 1.00 0.54 H new ATOM 0 HE2 TYR A 596 12.377 8.625 3.872 1.00 0.61 H new ATOM 0 HH TYR A 596 12.689 10.180 2.338 1.00 0.65 H new ATOM 1548 N LYS A 597 13.188 2.050 4.444 1.00 0.38 N ATOM 1549 CA LYS A 597 13.095 0.875 5.299 1.00 0.41 C ATOM 1550 C LYS A 597 11.994 1.020 6.345 1.00 0.41 C ATOM 1551 O LYS A 597 11.623 0.045 6.982 1.00 0.48 O ATOM 1552 CB LYS A 597 14.432 0.606 5.997 1.00 0.50 C ATOM 1553 CG LYS A 597 15.600 0.432 5.039 1.00 0.62 C ATOM 1554 CD LYS A 597 15.395 -0.745 4.097 1.00 1.29 C ATOM 1555 CE LYS A 597 16.425 -0.736 2.979 1.00 1.67 C ATOM 1556 NZ LYS A 597 16.297 -1.915 2.084 1.00 2.18 N ATOM 0 H LYS A 597 13.556 2.879 4.910 1.00 0.38 H new ATOM 0 HA LYS A 597 12.845 0.031 4.655 1.00 0.41 H new ATOM 0 HB2 LYS A 597 14.650 1.431 6.675 1.00 0.50 H new ATOM 0 HB3 LYS A 597 14.338 -0.292 6.608 1.00 0.50 H new ATOM 0 HG2 LYS A 597 15.730 1.344 4.456 1.00 0.62 H new ATOM 0 HG3 LYS A 597 16.517 0.285 5.609 1.00 0.62 H new ATOM 0 HD2 LYS A 597 15.467 -1.678 4.655 1.00 1.29 H new ATOM 0 HD3 LYS A 597 14.392 -0.705 3.672 1.00 1.29 H new ATOM 0 HE2 LYS A 597 16.313 0.176 2.393 1.00 1.67 H new ATOM 0 HE3 LYS A 597 17.426 -0.717 3.410 1.00 1.67 H new ATOM 0 HZ1 LYS A 597 17.020 -1.865 1.338 1.00 2.18 H new ATOM 0 HZ2 LYS A 597 16.430 -2.786 2.636 1.00 2.18 H new ATOM 0 HZ3 LYS A 597 15.352 -1.921 1.650 1.00 2.18 H new ATOM 1570 N GLU A 598 11.466 2.226 6.520 1.00 0.38 N ATOM 1571 CA GLU A 598 10.450 2.457 7.542 1.00 0.41 C ATOM 1572 C GLU A 598 9.397 3.450 7.057 1.00 0.34 C ATOM 1573 O GLU A 598 9.671 4.307 6.218 1.00 0.33 O ATOM 1574 CB GLU A 598 11.102 2.981 8.828 1.00 0.55 C ATOM 1575 CG GLU A 598 10.113 3.236 9.958 1.00 0.62 C ATOM 1576 CD GLU A 598 10.759 3.861 11.175 1.00 0.80 C ATOM 1577 OE1 GLU A 598 11.050 3.125 12.140 1.00 0.95 O ATOM 1578 OE2 GLU A 598 10.988 5.088 11.170 1.00 0.91 O ATOM 0 H GLU A 598 11.720 3.050 5.975 1.00 0.38 H new ATOM 0 HA GLU A 598 9.958 1.506 7.747 1.00 0.41 H new ATOM 0 HB2 GLU A 598 11.848 2.261 9.166 1.00 0.55 H new ATOM 0 HB3 GLU A 598 11.631 3.907 8.605 1.00 0.55 H new ATOM 0 HG2 GLU A 598 9.319 3.890 9.598 1.00 0.62 H new ATOM 0 HG3 GLU A 598 9.645 2.294 10.244 1.00 0.62 H new ATOM 1585 N LEU A 599 8.192 3.308 7.591 1.00 0.36 N ATOM 1586 CA LEU A 599 7.102 4.224 7.292 1.00 0.32 C ATOM 1587 C LEU A 599 6.669 4.970 8.544 1.00 0.33 C ATOM 1588 O LEU A 599 6.305 4.362 9.552 1.00 0.37 O ATOM 1589 CB LEU A 599 5.911 3.476 6.689 1.00 0.33 C ATOM 1590 CG LEU A 599 6.196 2.774 5.360 1.00 0.37 C ATOM 1591 CD1 LEU A 599 4.928 2.173 4.784 1.00 0.45 C ATOM 1592 CD2 LEU A 599 6.811 3.741 4.364 1.00 0.33 C ATOM 0 H LEU A 599 7.944 2.560 8.239 1.00 0.36 H new ATOM 0 HA LEU A 599 7.463 4.947 6.561 1.00 0.32 H new ATOM 0 HB2 LEU A 599 5.565 2.734 7.408 1.00 0.33 H new ATOM 0 HB3 LEU A 599 5.094 4.182 6.542 1.00 0.33 H new ATOM 0 HG LEU A 599 6.906 1.969 5.552 1.00 0.37 H new ATOM 0 HD11 LEU A 599 5.156 1.679 3.839 1.00 0.45 H new ATOM 0 HD12 LEU A 599 4.520 1.445 5.485 1.00 0.45 H new ATOM 0 HD13 LEU A 599 4.196 2.962 4.614 1.00 0.45 H new ATOM 0 HD21 LEU A 599 7.006 3.222 3.426 1.00 0.33 H new ATOM 0 HD22 LEU A 599 6.122 4.567 4.186 1.00 0.33 H new ATOM 0 HD23 LEU A 599 7.747 4.130 4.765 1.00 0.33 H new ATOM 1604 N GLN A 600 6.721 6.291 8.473 1.00 0.36 N ATOM 1605 CA GLN A 600 6.299 7.138 9.576 1.00 0.44 C ATOM 1606 C GLN A 600 5.044 7.911 9.189 1.00 0.39 C ATOM 1607 O GLN A 600 4.975 8.487 8.104 1.00 0.43 O ATOM 1608 CB GLN A 600 7.423 8.109 9.953 1.00 0.59 C ATOM 1609 CG GLN A 600 7.077 9.031 11.113 1.00 0.85 C ATOM 1610 CD GLN A 600 8.206 9.984 11.456 1.00 1.10 C ATOM 1611 OE1 GLN A 600 9.075 9.666 12.265 1.00 1.52 O ATOM 1612 NE2 GLN A 600 8.194 11.164 10.853 1.00 1.34 N ATOM 0 H GLN A 600 7.054 6.802 7.656 1.00 0.36 H new ATOM 0 HA GLN A 600 6.074 6.510 10.438 1.00 0.44 H new ATOM 0 HB2 GLN A 600 8.314 7.536 10.210 1.00 0.59 H new ATOM 0 HB3 GLN A 600 7.674 8.715 9.082 1.00 0.59 H new ATOM 0 HG2 GLN A 600 6.185 9.605 10.863 1.00 0.85 H new ATOM 0 HG3 GLN A 600 6.834 8.431 11.990 1.00 0.85 H new ATOM 0 HE21 GLN A 600 7.455 11.389 10.187 1.00 1.34 H new ATOM 0 HE22 GLN A 600 8.924 11.847 11.054 1.00 1.34 H new ATOM 1621 N LEU A 601 4.051 7.920 10.065 1.00 0.37 N ATOM 1622 CA LEU A 601 2.807 8.620 9.781 1.00 0.34 C ATOM 1623 C LEU A 601 2.934 10.107 10.085 1.00 0.39 C ATOM 1624 O LEU A 601 2.730 10.540 11.218 1.00 0.46 O ATOM 1625 CB LEU A 601 1.644 8.023 10.579 1.00 0.36 C ATOM 1626 CG LEU A 601 1.289 6.573 10.241 1.00 0.34 C ATOM 1627 CD1 LEU A 601 0.048 6.138 11.006 1.00 0.46 C ATOM 1628 CD2 LEU A 601 1.074 6.405 8.745 1.00 0.32 C ATOM 0 H LEU A 601 4.081 7.454 10.972 1.00 0.37 H new ATOM 0 HA LEU A 601 2.599 8.497 8.718 1.00 0.34 H new ATOM 0 HB2 LEU A 601 1.886 8.082 11.640 1.00 0.36 H new ATOM 0 HB3 LEU A 601 0.761 8.642 10.419 1.00 0.36 H new ATOM 0 HG LEU A 601 2.124 5.939 10.540 1.00 0.34 H new ATOM 0 HD11 LEU A 601 -0.191 5.105 10.754 1.00 0.46 H new ATOM 0 HD12 LEU A 601 0.235 6.217 12.077 1.00 0.46 H new ATOM 0 HD13 LEU A 601 -0.790 6.780 10.735 1.00 0.46 H new ATOM 0 HD21 LEU A 601 0.823 5.367 8.528 1.00 0.32 H new ATOM 0 HD22 LEU A 601 0.259 7.051 8.420 1.00 0.32 H new ATOM 0 HD23 LEU A 601 1.986 6.676 8.214 1.00 0.32 H new ATOM 1640 N LYS A 602 3.289 10.882 9.072 1.00 0.41 N ATOM 1641 CA LYS A 602 3.344 12.332 9.203 1.00 0.48 C ATOM 1642 C LYS A 602 1.937 12.916 9.146 1.00 0.46 C ATOM 1643 O LYS A 602 1.705 14.055 9.549 1.00 0.51 O ATOM 1644 CB LYS A 602 4.213 12.942 8.097 1.00 0.59 C ATOM 1645 CG LYS A 602 5.680 12.542 8.184 1.00 0.69 C ATOM 1646 CD LYS A 602 6.521 13.160 7.069 1.00 0.93 C ATOM 1647 CE LYS A 602 6.916 14.608 7.354 1.00 1.49 C ATOM 1648 NZ LYS A 602 5.762 15.547 7.316 1.00 1.73 N ATOM 0 H LYS A 602 3.544 10.532 8.149 1.00 0.41 H new ATOM 0 HA LYS A 602 3.791 12.575 10.167 1.00 0.48 H new ATOM 0 HB2 LYS A 602 3.819 12.638 7.127 1.00 0.59 H new ATOM 0 HB3 LYS A 602 4.138 14.028 8.145 1.00 0.59 H new ATOM 0 HG2 LYS A 602 6.081 12.849 9.150 1.00 0.69 H new ATOM 0 HG3 LYS A 602 5.761 11.456 8.136 1.00 0.69 H new ATOM 0 HD2 LYS A 602 7.423 12.564 6.928 1.00 0.93 H new ATOM 0 HD3 LYS A 602 5.962 13.119 6.134 1.00 0.93 H new ATOM 0 HE2 LYS A 602 7.389 14.663 8.334 1.00 1.49 H new ATOM 0 HE3 LYS A 602 7.660 14.926 6.623 1.00 1.49 H new ATOM 0 HZ1 LYS A 602 6.079 16.472 6.961 1.00 1.73 H new ATOM 0 HZ2 LYS A 602 5.027 15.168 6.686 1.00 1.73 H new ATOM 0 HZ3 LYS A 602 5.373 15.658 8.274 1.00 1.73 H new ATOM 1662 N LYS A 603 1.004 12.123 8.639 1.00 0.44 N ATOM 1663 CA LYS A 603 -0.393 12.523 8.566 1.00 0.48 C ATOM 1664 C LYS A 603 -1.252 11.530 9.332 1.00 0.54 C ATOM 1665 O LYS A 603 -0.979 10.329 9.314 1.00 0.62 O ATOM 1666 CB LYS A 603 -0.857 12.603 7.108 1.00 0.58 C ATOM 1667 CG LYS A 603 -0.131 13.656 6.289 1.00 0.65 C ATOM 1668 CD LYS A 603 -0.252 15.034 6.918 1.00 0.79 C ATOM 1669 CE LYS A 603 0.383 16.101 6.046 1.00 0.90 C ATOM 1670 NZ LYS A 603 -0.343 16.270 4.758 1.00 1.69 N ATOM 0 H LYS A 603 1.192 11.191 8.269 1.00 0.44 H new ATOM 0 HA LYS A 603 -0.497 13.511 9.014 1.00 0.48 H new ATOM 0 HB2 LYS A 603 -0.716 11.630 6.638 1.00 0.58 H new ATOM 0 HB3 LYS A 603 -1.926 12.814 7.088 1.00 0.58 H new ATOM 0 HG2 LYS A 603 0.922 13.387 6.200 1.00 0.65 H new ATOM 0 HG3 LYS A 603 -0.541 13.679 5.279 1.00 0.65 H new ATOM 0 HD2 LYS A 603 -1.304 15.271 7.077 1.00 0.79 H new ATOM 0 HD3 LYS A 603 0.226 15.031 7.898 1.00 0.79 H new ATOM 0 HE2 LYS A 603 0.395 17.049 6.583 1.00 0.90 H new ATOM 0 HE3 LYS A 603 1.421 15.836 5.845 1.00 0.90 H new ATOM 0 HZ1 LYS A 603 -0.048 17.160 4.307 1.00 1.69 H new ATOM 0 HZ2 LYS A 603 -0.122 15.473 4.128 1.00 1.69 H new ATOM 0 HZ3 LYS A 603 -1.367 16.296 4.938 1.00 1.69 H new ATOM 1727 N ASN A 607 -9.399 4.816 12.330 1.00 0.65 N ATOM 1728 CA ASN A 607 -9.338 3.424 12.759 1.00 0.48 C ATOM 1729 C ASN A 607 -9.323 2.480 11.559 1.00 0.43 C ATOM 1730 O ASN A 607 -10.238 2.482 10.733 1.00 0.60 O ATOM 1731 CB ASN A 607 -10.532 3.114 13.668 1.00 0.59 C ATOM 1732 CG ASN A 607 -10.601 1.659 14.087 1.00 0.79 C ATOM 1733 OD1 ASN A 607 -9.583 0.979 14.194 1.00 1.28 O ATOM 1734 ND2 ASN A 607 -11.808 1.176 14.332 1.00 1.33 N ATOM 0 HA ASN A 607 -8.413 3.271 13.314 1.00 0.48 H new ATOM 0 HB2 ASN A 607 -10.474 3.740 14.559 1.00 0.59 H new ATOM 0 HB3 ASN A 607 -11.453 3.380 13.150 1.00 0.59 H new ATOM 0 HD21 ASN A 607 -11.919 0.204 14.622 1.00 1.33 H new ATOM 0 HD22 ASN A 607 -12.627 1.775 14.231 1.00 1.33 H new ATOM 1741 N VAL A 608 -8.275 1.673 11.481 1.00 0.30 N ATOM 1742 CA VAL A 608 -8.081 0.759 10.367 1.00 0.22 C ATOM 1743 C VAL A 608 -8.942 -0.500 10.536 1.00 0.21 C ATOM 1744 O VAL A 608 -9.249 -1.193 9.568 1.00 0.21 O ATOM 1745 CB VAL A 608 -6.582 0.390 10.226 1.00 0.19 C ATOM 1746 CG1 VAL A 608 -6.337 -0.554 9.060 1.00 0.19 C ATOM 1747 CG2 VAL A 608 -5.742 1.651 10.067 1.00 0.27 C ATOM 0 H VAL A 608 -7.538 1.634 12.185 1.00 0.30 H new ATOM 0 HA VAL A 608 -8.398 1.260 9.452 1.00 0.22 H new ATOM 0 HB VAL A 608 -6.285 -0.129 11.137 1.00 0.19 H new ATOM 0 HG11 VAL A 608 -5.274 -0.787 8.997 1.00 0.19 H new ATOM 0 HG12 VAL A 608 -6.902 -1.474 9.212 1.00 0.19 H new ATOM 0 HG13 VAL A 608 -6.660 -0.079 8.133 1.00 0.19 H new ATOM 0 HG21 VAL A 608 -4.691 1.378 9.969 1.00 0.27 H new ATOM 0 HG22 VAL A 608 -6.061 2.191 9.176 1.00 0.27 H new ATOM 0 HG23 VAL A 608 -5.872 2.287 10.943 1.00 0.27 H new ATOM 1757 N ALA A 609 -9.351 -0.779 11.770 1.00 0.28 N ATOM 1758 CA ALA A 609 -10.235 -1.914 12.042 1.00 0.33 C ATOM 1759 C ALA A 609 -11.608 -1.694 11.407 1.00 0.32 C ATOM 1760 O ALA A 609 -12.239 -2.625 10.894 1.00 0.32 O ATOM 1761 CB ALA A 609 -10.373 -2.137 13.538 1.00 0.44 C ATOM 0 H ALA A 609 -9.088 -0.240 12.595 1.00 0.28 H new ATOM 0 HA ALA A 609 -9.790 -2.805 11.599 1.00 0.33 H new ATOM 0 HB1 ALA A 609 -11.034 -2.985 13.720 1.00 0.44 H new ATOM 0 HB2 ALA A 609 -9.392 -2.343 13.967 1.00 0.44 H new ATOM 0 HB3 ALA A 609 -10.792 -1.244 14.002 1.00 0.44 H new ATOM 1767 N ALA A 610 -12.053 -0.444 11.415 1.00 0.33 N ATOM 1768 CA ALA A 610 -13.323 -0.082 10.803 1.00 0.35 C ATOM 1769 C ALA A 610 -13.269 -0.335 9.304 1.00 0.30 C ATOM 1770 O ALA A 610 -14.288 -0.591 8.664 1.00 0.31 O ATOM 1771 CB ALA A 610 -13.658 1.371 11.091 1.00 0.40 C ATOM 0 H ALA A 610 -11.552 0.336 11.839 1.00 0.33 H new ATOM 0 HA ALA A 610 -14.110 -0.702 11.233 1.00 0.35 H new ATOM 0 HB1 ALA A 610 -14.611 1.624 10.626 1.00 0.40 H new ATOM 0 HB2 ALA A 610 -13.729 1.521 12.168 1.00 0.40 H new ATOM 0 HB3 ALA A 610 -12.875 2.012 10.686 1.00 0.40 H new ATOM 1777 N ILE A 611 -12.059 -0.273 8.759 1.00 0.25 N ATOM 1778 CA ILE A 611 -11.834 -0.536 7.350 1.00 0.23 C ATOM 1779 C ILE A 611 -12.031 -2.028 7.065 1.00 0.22 C ATOM 1780 O ILE A 611 -12.450 -2.414 5.972 1.00 0.23 O ATOM 1781 CB ILE A 611 -10.417 -0.091 6.921 1.00 0.20 C ATOM 1782 CG1 ILE A 611 -10.236 1.406 7.180 1.00 0.24 C ATOM 1783 CG2 ILE A 611 -10.178 -0.398 5.451 1.00 0.22 C ATOM 1784 CD1 ILE A 611 -8.854 1.924 6.842 1.00 0.23 C ATOM 0 H ILE A 611 -11.214 -0.040 9.281 1.00 0.25 H new ATOM 0 HA ILE A 611 -12.556 0.040 6.771 1.00 0.23 H new ATOM 0 HB ILE A 611 -9.689 -0.646 7.512 1.00 0.20 H new ATOM 0 HG12 ILE A 611 -10.973 1.958 6.596 1.00 0.24 H new ATOM 0 HG13 ILE A 611 -10.443 1.611 8.230 1.00 0.24 H new ATOM 0 HG21 ILE A 611 -9.175 -0.077 5.171 1.00 0.22 H new ATOM 0 HG22 ILE A 611 -10.276 -1.470 5.283 1.00 0.22 H new ATOM 0 HG23 ILE A 611 -10.912 0.133 4.844 1.00 0.22 H new ATOM 0 HD11 ILE A 611 -8.804 2.992 7.053 1.00 0.23 H new ATOM 0 HD12 ILE A 611 -8.112 1.400 7.445 1.00 0.23 H new ATOM 0 HD13 ILE A 611 -8.650 1.753 5.785 1.00 0.23 H new ATOM 1796 N ILE A 612 -11.730 -2.869 8.058 1.00 0.22 N ATOM 1797 CA ILE A 612 -12.032 -4.297 7.965 1.00 0.24 C ATOM 1798 C ILE A 612 -13.533 -4.490 7.802 1.00 0.27 C ATOM 1799 O ILE A 612 -13.984 -5.323 7.012 1.00 0.28 O ATOM 1800 CB ILE A 612 -11.569 -5.082 9.219 1.00 0.26 C ATOM 1801 CG1 ILE A 612 -10.076 -4.874 9.480 1.00 0.26 C ATOM 1802 CG2 ILE A 612 -11.868 -6.565 9.050 1.00 0.31 C ATOM 1803 CD1 ILE A 612 -9.587 -5.506 10.766 1.00 0.31 C ATOM 0 H ILE A 612 -11.281 -2.587 8.929 1.00 0.22 H new ATOM 0 HA ILE A 612 -11.490 -4.684 7.102 1.00 0.24 H new ATOM 0 HB ILE A 612 -12.121 -4.701 10.079 1.00 0.26 H new ATOM 0 HG12 ILE A 612 -9.510 -5.287 8.645 1.00 0.26 H new ATOM 0 HG13 ILE A 612 -9.867 -3.805 9.509 1.00 0.26 H new ATOM 0 HG21 ILE A 612 -11.538 -7.106 9.937 1.00 0.31 H new ATOM 0 HG22 ILE A 612 -12.940 -6.707 8.916 1.00 0.31 H new ATOM 0 HG23 ILE A 612 -11.340 -6.945 8.176 1.00 0.31 H new ATOM 0 HD11 ILE A 612 -8.520 -5.316 10.882 1.00 0.31 H new ATOM 0 HD12 ILE A 612 -10.126 -5.076 11.610 1.00 0.31 H new ATOM 0 HD13 ILE A 612 -9.763 -6.581 10.733 1.00 0.31 H new ATOM 1815 N GLN A 613 -14.301 -3.696 8.538 1.00 0.31 N ATOM 1816 CA GLN A 613 -15.756 -3.717 8.409 1.00 0.35 C ATOM 1817 C GLN A 613 -16.169 -3.292 7.000 1.00 0.34 C ATOM 1818 O GLN A 613 -17.130 -3.814 6.438 1.00 0.37 O ATOM 1819 CB GLN A 613 -16.405 -2.794 9.442 1.00 0.41 C ATOM 1820 CG GLN A 613 -16.152 -3.207 10.884 1.00 0.49 C ATOM 1821 CD GLN A 613 -16.684 -4.592 11.195 1.00 1.37 C ATOM 1822 OE1 GLN A 613 -17.843 -4.750 11.575 1.00 1.97 O ATOM 1823 NE2 GLN A 613 -15.841 -5.601 11.049 1.00 2.31 N ATOM 0 H GLN A 613 -13.945 -3.033 9.227 1.00 0.31 H new ATOM 0 HA GLN A 613 -16.099 -4.736 8.589 1.00 0.35 H new ATOM 0 HB2 GLN A 613 -16.032 -1.781 9.294 1.00 0.41 H new ATOM 0 HB3 GLN A 613 -17.480 -2.767 9.266 1.00 0.41 H new ATOM 0 HG2 GLN A 613 -15.081 -3.180 11.083 1.00 0.49 H new ATOM 0 HG3 GLN A 613 -16.619 -2.484 11.553 1.00 0.49 H new ATOM 0 HE21 GLN A 613 -14.887 -5.427 10.731 1.00 2.31 H new ATOM 0 HE22 GLN A 613 -16.145 -6.553 11.254 1.00 2.31 H new ATOM 1832 N ASP A 614 -15.406 -2.367 6.429 1.00 0.33 N ATOM 1833 CA ASP A 614 -15.668 -1.886 5.074 1.00 0.33 C ATOM 1834 C ASP A 614 -15.441 -2.999 4.062 1.00 0.30 C ATOM 1835 O ASP A 614 -16.241 -3.189 3.150 1.00 0.34 O ATOM 1836 CB ASP A 614 -14.794 -0.678 4.726 1.00 0.36 C ATOM 1837 CG ASP A 614 -15.212 0.577 5.461 1.00 0.95 C ATOM 1838 OD1 ASP A 614 -14.395 1.118 6.238 1.00 1.95 O ATOM 1839 OD2 ASP A 614 -16.358 1.031 5.275 1.00 1.09 O ATOM 0 H ASP A 614 -14.601 -1.934 6.882 1.00 0.33 H new ATOM 0 HA ASP A 614 -16.711 -1.571 5.034 1.00 0.33 H new ATOM 0 HB2 ASP A 614 -13.755 -0.905 4.966 1.00 0.36 H new ATOM 0 HB3 ASP A 614 -14.841 -0.498 3.652 1.00 0.36 H new ATOM 1844 N ILE A 615 -14.354 -3.743 4.237 1.00 0.26 N ATOM 1845 CA ILE A 615 -14.041 -4.869 3.365 1.00 0.27 C ATOM 1846 C ILE A 615 -15.136 -5.923 3.435 1.00 0.32 C ATOM 1847 O ILE A 615 -15.580 -6.438 2.412 1.00 0.35 O ATOM 1848 CB ILE A 615 -12.701 -5.507 3.760 1.00 0.24 C ATOM 1849 CG1 ILE A 615 -11.591 -4.475 3.627 1.00 0.20 C ATOM 1850 CG2 ILE A 615 -12.407 -6.727 2.894 1.00 0.29 C ATOM 1851 CD1 ILE A 615 -10.280 -4.919 4.215 1.00 0.18 C ATOM 0 H ILE A 615 -13.672 -3.585 4.979 1.00 0.26 H new ATOM 0 HA ILE A 615 -13.971 -4.489 2.346 1.00 0.27 H new ATOM 0 HB ILE A 615 -12.758 -5.840 4.796 1.00 0.24 H new ATOM 0 HG12 ILE A 615 -11.446 -4.244 2.572 1.00 0.20 H new ATOM 0 HG13 ILE A 615 -11.904 -3.552 4.115 1.00 0.20 H new ATOM 0 HG21 ILE A 615 -11.453 -7.163 3.191 1.00 0.29 H new ATOM 0 HG22 ILE A 615 -13.199 -7.465 3.024 1.00 0.29 H new ATOM 0 HG23 ILE A 615 -12.358 -6.427 1.847 1.00 0.29 H new ATOM 0 HD11 ILE A 615 -9.537 -4.132 4.083 1.00 0.18 H new ATOM 0 HD12 ILE A 615 -10.408 -5.122 5.278 1.00 0.18 H new ATOM 0 HD13 ILE A 615 -9.943 -5.825 3.711 1.00 0.18 H new ATOM 1863 N HIS A 616 -15.576 -6.226 4.650 1.00 0.37 N ATOM 1864 CA HIS A 616 -16.657 -7.187 4.858 1.00 0.46 C ATOM 1865 C HIS A 616 -17.950 -6.691 4.223 1.00 0.44 C ATOM 1866 O HIS A 616 -18.776 -7.485 3.776 1.00 0.46 O ATOM 1867 CB HIS A 616 -16.878 -7.446 6.352 1.00 0.59 C ATOM 1868 CG HIS A 616 -15.875 -8.378 6.963 1.00 0.70 C ATOM 1869 ND1 HIS A 616 -16.229 -9.441 7.761 1.00 1.26 N ATOM 1870 CD2 HIS A 616 -14.523 -8.401 6.891 1.00 0.76 C ATOM 1871 CE1 HIS A 616 -15.142 -10.078 8.151 1.00 1.24 C ATOM 1872 NE2 HIS A 616 -14.091 -9.468 7.635 1.00 0.82 N ATOM 0 H HIS A 616 -15.202 -5.821 5.508 1.00 0.37 H new ATOM 0 HA HIS A 616 -16.366 -8.123 4.380 1.00 0.46 H new ATOM 0 HB2 HIS A 616 -16.847 -6.495 6.884 1.00 0.59 H new ATOM 0 HB3 HIS A 616 -17.877 -7.858 6.495 1.00 0.59 H new ATOM 0 HD2 HIS A 616 -13.900 -7.706 6.347 1.00 0.76 H new ATOM 0 HE1 HIS A 616 -15.116 -10.952 8.786 1.00 1.24 H new ATOM 0 HE2 HIS A 616 -13.118 -9.745 7.768 1.00 0.82 H new ATOM 1881 N SER A 617 -18.106 -5.375 4.177 1.00 0.45 N ATOM 1882 CA SER A 617 -19.267 -4.753 3.568 1.00 0.51 C ATOM 1883 C SER A 617 -19.189 -4.835 2.044 1.00 0.49 C ATOM 1884 O SER A 617 -20.209 -4.788 1.356 1.00 0.57 O ATOM 1885 CB SER A 617 -19.376 -3.292 4.022 1.00 0.58 C ATOM 1886 OG SER A 617 -20.556 -2.678 3.533 1.00 1.18 O ATOM 0 H SER A 617 -17.432 -4.713 4.560 1.00 0.45 H new ATOM 0 HA SER A 617 -20.159 -5.291 3.890 1.00 0.51 H new ATOM 0 HB2 SER A 617 -19.367 -3.248 5.111 1.00 0.58 H new ATOM 0 HB3 SER A 617 -18.505 -2.737 3.673 1.00 0.58 H new ATOM 0 HG SER A 617 -20.594 -1.749 3.843 1.00 1.18 H new