USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 689 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 Single : A 26 THR OG1 : rot 24:sc= 0.191 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 142:sc= -2.37! (180deg=-4.71!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 123:sc= 1.27 USER MOD Single : A 44 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.19) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -59:sc= 1.03 USER MOD Single : A 48 TYR OH : rot 125:sc= -1.83 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -155:sc= -0.108 (180deg=-0.669) USER MOD Single : A 51 LYS NZ :NH3+ 144:sc= -2.37! (180deg=-4.68!) USER MOD Single : A 56 TYR OH : rot 165:sc= -0.664 USER MOD Single : A 59 GLN : amide:sc= 0.0583 X(o=0.058,f=-0.16) USER MOD Single : A 60 TYR OH : rot -127:sc= 0.362 USER MOD Single : A 62 MET CE :methyl 135:sc= -0.457 (180deg=-1.03) USER MOD Single : A 63 THR OG1 : rot 61:sc= 0.971 USER MOD Single : A 64 LYS NZ :NH3+ -172:sc= -0.12 (180deg=-0.281) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN :FLIP amide:sc= -2.02! C(o=-4.9!,f=-2!) USER MOD Single : A 73 HIS : no HD1:sc= -3.27! C(o=-3.3!,f=-5.9!) USER MOD Single : A 76 TYR OH : rot 40:sc= -0.302 USER MOD Single : A 77 CYS SG : rot 11:sc= -0.269 USER MOD Single : A 78 SER OG : rot 35:sc= 0.297 USER MOD Single : A 79 ASN :FLIP amide:sc= -0.126 F(o=-1.2,f=-0.13) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 166:sc= -0.0317 (180deg=-0.237) USER MOD Single : A 96 HIS : no HD1:sc= -0.359 K(o=-0.36,f=-1.3) USER MOD Single : A 98 LYS NZ :NH3+ -177:sc= -0.668 (180deg=-0.733) USER MOD Single : A 100 TYR OH : rot 168:sc= -1.27! USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 141:sc= -6.79! (180deg=-10.6!) USER MOD Single : A 104 TYR OH : rot 78:sc= 0.393 USER MOD ----------------------------------------------------------------- ATOM 347 N THR A 26 -12.101 3.295 0.028 1.00 0.00 N ATOM 348 CA THR A 26 -12.588 1.925 0.063 1.00 0.00 C ATOM 349 C THR A 26 -12.425 1.342 1.458 1.00 0.00 C ATOM 350 O THR A 26 -11.693 1.889 2.280 1.00 0.00 O ATOM 351 CB THR A 26 -11.816 1.048 -0.943 1.00 0.00 C ATOM 352 OG1 THR A 26 -11.796 1.683 -2.227 1.00 0.00 O ATOM 353 CG2 THR A 26 -12.448 -0.330 -1.070 1.00 0.00 C ATOM 0 HA THR A 26 -13.644 1.936 -0.207 1.00 0.00 H new ATOM 0 HB THR A 26 -10.798 0.928 -0.574 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.917 2.649 -2.116 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.882 -0.925 -1.786 1.00 0.00 H new ATOM 0 HG22 THR A 26 -12.439 -0.825 -0.099 1.00 0.00 H new ATOM 0 HG23 THR A 26 -13.477 -0.228 -1.416 1.00 0.00 H new ATOM 361 N LEU A 27 -13.021 0.180 1.686 1.00 0.00 N ATOM 362 CA LEU A 27 -12.450 -0.770 2.609 1.00 0.00 C ATOM 363 C LEU A 27 -12.365 -2.125 1.941 1.00 0.00 C ATOM 364 O LEU A 27 -13.342 -2.621 1.379 1.00 0.00 O ATOM 365 CB LEU A 27 -13.249 -0.860 3.904 1.00 0.00 C ATOM 366 CG LEU A 27 -12.399 -1.190 5.134 1.00 0.00 C ATOM 367 CD1 LEU A 27 -13.271 -1.423 6.343 1.00 0.00 C ATOM 368 CD2 LEU A 27 -11.534 -2.408 4.873 1.00 0.00 C ATOM 0 H LEU A 27 -13.891 -0.119 1.246 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.451 -0.428 2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.760 0.088 4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.020 -1.622 3.792 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.752 -0.336 5.334 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.645 -1.656 7.204 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.853 -0.525 6.550 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.946 -2.257 6.150 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.937 -2.627 5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.170 -3.263 4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.873 -2.211 4.029 1.00 0.00 H new ATOM 380 N VAL A 28 -11.167 -2.669 1.927 1.00 0.00 N ATOM 381 CA VAL A 28 -10.795 -3.644 0.924 1.00 0.00 C ATOM 382 C VAL A 28 -10.744 -5.036 1.500 1.00 0.00 C ATOM 383 O VAL A 28 -10.417 -5.230 2.671 1.00 0.00 O ATOM 384 CB VAL A 28 -9.447 -3.294 0.275 1.00 0.00 C ATOM 385 CG1 VAL A 28 -8.698 -4.539 -0.182 1.00 0.00 C ATOM 386 CG2 VAL A 28 -9.690 -2.362 -0.889 1.00 0.00 C ATOM 0 H VAL A 28 -10.432 -2.452 2.600 1.00 0.00 H new ATOM 0 HA VAL A 28 -11.566 -3.618 0.154 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.820 -2.802 1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.750 -4.248 -0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.507 -5.184 0.676 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -9.300 -5.078 -0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.739 -2.108 -1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.334 -2.852 -1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.173 -1.453 -0.532 1.00 0.00 H new ATOM 396 N ARG A 29 -11.099 -6.002 0.677 1.00 0.00 N ATOM 397 CA ARG A 29 -11.238 -7.356 1.149 1.00 0.00 C ATOM 398 C ARG A 29 -10.627 -8.342 0.157 1.00 0.00 C ATOM 399 O ARG A 29 -11.329 -8.909 -0.682 1.00 0.00 O ATOM 400 CB ARG A 29 -12.715 -7.673 1.396 1.00 0.00 C ATOM 401 CG ARG A 29 -13.479 -6.535 2.061 1.00 0.00 C ATOM 402 CD ARG A 29 -14.943 -6.891 2.264 1.00 0.00 C ATOM 403 NE ARG A 29 -15.695 -5.799 2.874 1.00 0.00 N ATOM 404 CZ ARG A 29 -17.019 -5.793 2.999 1.00 0.00 C ATOM 405 NH1 ARG A 29 -17.734 -6.820 2.559 1.00 0.00 N ATOM 406 NH2 ARG A 29 -17.629 -4.761 3.566 1.00 0.00 N ATOM 0 H ARG A 29 -11.295 -5.872 -0.316 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.698 -7.456 2.091 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -13.191 -7.912 0.445 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.788 -8.563 2.021 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -13.023 -6.303 3.023 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -13.403 -5.637 1.448 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -15.390 -7.146 1.303 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -15.016 -7.777 2.895 1.00 0.00 H new ATOM 0 HE ARG A 29 -15.175 -4.994 3.225 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -17.268 -7.616 2.124 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -18.749 -6.813 2.656 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -17.083 -3.970 3.907 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -18.645 -4.758 3.661 1.00 0.00 H new ATOM 420 N PRO A 30 -9.296 -8.525 0.216 1.00 0.00 N ATOM 421 CA PRO A 30 -8.543 -9.241 -0.802 1.00 0.00 C ATOM 422 C PRO A 30 -8.321 -10.710 -0.451 1.00 0.00 C ATOM 423 O PRO A 30 -8.737 -11.176 0.610 1.00 0.00 O ATOM 424 CB PRO A 30 -7.218 -8.486 -0.801 1.00 0.00 C ATOM 425 CG PRO A 30 -7.030 -8.043 0.619 1.00 0.00 C ATOM 426 CD PRO A 30 -8.400 -8.012 1.267 1.00 0.00 C ATOM 0 HA PRO A 30 -9.056 -9.267 -1.763 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.398 -9.126 -1.128 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.248 -7.634 -1.480 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.369 -8.727 1.151 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.565 -7.058 0.656 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.434 -8.635 2.161 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.676 -7.002 1.571 1.00 0.00 H new ATOM 434 N LYS A 31 -7.637 -11.422 -1.339 1.00 0.00 N ATOM 435 CA LYS A 31 -7.213 -12.790 -1.068 1.00 0.00 C ATOM 436 C LYS A 31 -5.794 -12.805 -0.499 1.00 0.00 C ATOM 437 O LYS A 31 -5.060 -11.825 -0.632 1.00 0.00 O ATOM 438 CB LYS A 31 -7.273 -13.624 -2.350 1.00 0.00 C ATOM 439 CG LYS A 31 -8.661 -13.691 -2.966 1.00 0.00 C ATOM 440 CD LYS A 31 -8.669 -14.533 -4.232 1.00 0.00 C ATOM 441 CE LYS A 31 -10.056 -14.597 -4.848 1.00 0.00 C ATOM 442 NZ LYS A 31 -10.080 -15.426 -6.084 1.00 0.00 N ATOM 0 H LYS A 31 -7.363 -11.072 -2.257 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.889 -13.224 -0.331 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.580 -13.204 -3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.932 -14.636 -2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.361 -14.111 -2.244 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.007 -12.683 -3.196 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.968 -14.114 -4.954 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.325 -15.541 -4.002 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.757 -15.009 -4.122 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.396 -13.588 -5.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.045 -15.443 -6.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.431 -15.019 -6.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.781 -16.396 -5.857 1.00 0.00 H new ATOM 456 N PRO A 32 -5.388 -13.916 0.148 1.00 0.00 N ATOM 457 CA PRO A 32 -4.051 -14.049 0.735 1.00 0.00 C ATOM 458 C PRO A 32 -2.950 -13.625 -0.232 1.00 0.00 C ATOM 459 O PRO A 32 -2.544 -14.394 -1.103 1.00 0.00 O ATOM 460 CB PRO A 32 -3.936 -15.547 1.062 1.00 0.00 C ATOM 461 CG PRO A 32 -5.134 -16.194 0.447 1.00 0.00 C ATOM 462 CD PRO A 32 -6.186 -15.130 0.358 1.00 0.00 C ATOM 0 HA PRO A 32 -3.929 -13.406 1.607 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.015 -15.966 0.657 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.914 -15.711 2.139 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.898 -16.591 -0.540 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.478 -17.032 1.054 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.877 -15.310 -0.466 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.783 -15.072 1.268 1.00 0.00 H new ATOM 470 N LEU A 33 -2.485 -12.388 -0.080 1.00 0.00 N ATOM 471 CA LEU A 33 -1.516 -11.812 -1.005 1.00 0.00 C ATOM 472 C LEU A 33 -1.013 -10.467 -0.493 1.00 0.00 C ATOM 473 O LEU A 33 0.026 -9.973 -0.930 1.00 0.00 O ATOM 474 CB LEU A 33 -2.146 -11.642 -2.391 1.00 0.00 C ATOM 475 CG LEU A 33 -1.174 -11.245 -3.504 1.00 0.00 C ATOM 476 CD1 LEU A 33 -0.221 -12.390 -3.814 1.00 0.00 C ATOM 477 CD2 LEU A 33 -1.935 -10.827 -4.752 1.00 0.00 C ATOM 0 H LEU A 33 -2.765 -11.765 0.677 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.668 -12.492 -1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.630 -12.578 -2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.928 -10.886 -2.327 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.586 -10.394 -3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.463 -12.089 -4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.349 -12.641 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.791 -13.261 -4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.228 -10.548 -5.533 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.550 -11.658 -5.099 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.574 -9.975 -4.520 1.00 0.00 H new ATOM 489 N LEU A 34 -1.753 -9.882 0.443 1.00 0.00 N ATOM 490 CA LEU A 34 -1.366 -8.621 1.055 1.00 0.00 C ATOM 491 C LEU A 34 -1.421 -8.756 2.565 1.00 0.00 C ATOM 492 O LEU A 34 -1.068 -7.836 3.300 1.00 0.00 O ATOM 493 CB LEU A 34 -2.293 -7.487 0.602 1.00 0.00 C ATOM 494 CG LEU A 34 -1.942 -6.837 -0.740 1.00 0.00 C ATOM 495 CD1 LEU A 34 -0.521 -6.294 -0.715 1.00 0.00 C ATOM 496 CD2 LEU A 34 -2.120 -7.825 -1.882 1.00 0.00 C ATOM 0 H LEU A 34 -2.630 -10.266 0.795 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.350 -8.379 0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.309 -7.876 0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.293 -6.714 1.370 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.625 -6.004 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.290 -5.836 -1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.431 -5.547 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.177 -7.109 -0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.865 -7.341 -2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.466 -8.683 -1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.157 -8.160 -1.915 1.00 0.00 H new ATOM 508 N LEU A 35 -1.896 -9.912 3.015 1.00 0.00 N ATOM 509 CA LEU A 35 -2.157 -10.126 4.426 1.00 0.00 C ATOM 510 C LEU A 35 -1.024 -10.917 5.063 1.00 0.00 C ATOM 511 O LEU A 35 -0.575 -10.603 6.162 1.00 0.00 O ATOM 512 CB LEU A 35 -3.489 -10.857 4.623 1.00 0.00 C ATOM 513 CG LEU A 35 -4.634 -10.398 3.717 1.00 0.00 C ATOM 514 CD1 LEU A 35 -4.649 -8.883 3.586 1.00 0.00 C ATOM 515 CD2 LEU A 35 -4.520 -11.051 2.355 1.00 0.00 C ATOM 0 H LEU A 35 -2.107 -10.713 2.420 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.220 -9.153 4.913 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.326 -11.922 4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.800 -10.736 5.661 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.576 -10.705 4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.472 -8.582 2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.780 -8.434 4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.706 -8.546 3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.341 -10.716 1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.571 -10.774 1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.566 -12.134 2.466 1.00 0.00 H new ATOM 527 N LYS A 36 -0.520 -11.905 4.334 1.00 0.00 N ATOM 528 CA LYS A 36 0.771 -12.498 4.651 1.00 0.00 C ATOM 529 C LYS A 36 1.867 -11.441 4.600 1.00 0.00 C ATOM 530 O LYS A 36 3.018 -11.701 4.948 1.00 0.00 O ATOM 531 CB LYS A 36 1.088 -13.624 3.669 1.00 0.00 C ATOM 532 CG LYS A 36 0.303 -14.901 3.924 1.00 0.00 C ATOM 533 CD LYS A 36 0.649 -15.521 5.271 1.00 0.00 C ATOM 534 CE LYS A 36 1.983 -16.252 5.231 1.00 0.00 C ATOM 535 NZ LYS A 36 3.130 -15.321 5.046 1.00 0.00 N ATOM 0 H LYS A 36 -0.985 -12.311 3.522 1.00 0.00 H new ATOM 0 HA LYS A 36 0.726 -12.909 5.660 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.882 -13.278 2.656 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.154 -13.848 3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.765 -14.684 3.888 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.510 -15.619 3.130 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.685 -14.741 6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.138 -16.216 5.564 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.117 -16.811 6.157 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.973 -16.979 4.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.936 -15.644 5.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.404 -15.303 4.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.853 -14.365 5.347 1.00 0.00 H new ATOM 549 N LEU A 37 1.495 -10.251 4.144 1.00 0.00 N ATOM 550 CA LEU A 37 2.433 -9.161 3.964 1.00 0.00 C ATOM 551 C LEU A 37 2.241 -8.106 5.051 1.00 0.00 C ATOM 552 O LEU A 37 3.127 -7.291 5.307 1.00 0.00 O ATOM 553 CB LEU A 37 2.223 -8.548 2.581 1.00 0.00 C ATOM 554 CG LEU A 37 3.345 -7.644 2.086 1.00 0.00 C ATOM 555 CD1 LEU A 37 3.456 -7.714 0.571 1.00 0.00 C ATOM 556 CD2 LEU A 37 3.100 -6.222 2.537 1.00 0.00 C ATOM 0 H LEU A 37 0.535 -10.019 3.890 1.00 0.00 H new ATOM 0 HA LEU A 37 3.451 -9.542 4.042 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.087 -9.356 1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.297 -7.974 2.594 1.00 0.00 H new ATOM 0 HG LEU A 37 4.288 -7.988 2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.262 -7.062 0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.668 -8.739 0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.517 -7.391 0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.907 -5.583 2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.151 -5.870 2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.065 -6.187 3.626 1.00 0.00 H new ATOM 568 N LEU A 38 1.069 -8.127 5.682 1.00 0.00 N ATOM 569 CA LEU A 38 0.711 -7.123 6.679 1.00 0.00 C ATOM 570 C LEU A 38 0.531 -7.751 8.058 1.00 0.00 C ATOM 571 O LEU A 38 1.074 -7.264 9.049 1.00 0.00 O ATOM 572 CB LEU A 38 -0.571 -6.400 6.260 1.00 0.00 C ATOM 573 CG LEU A 38 -0.361 -5.028 5.619 1.00 0.00 C ATOM 574 CD1 LEU A 38 0.704 -5.099 4.539 1.00 0.00 C ATOM 575 CD2 LEU A 38 -1.664 -4.507 5.038 1.00 0.00 C ATOM 0 H LEU A 38 0.349 -8.831 5.519 1.00 0.00 H new ATOM 0 HA LEU A 38 1.527 -6.403 6.740 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.114 -7.033 5.558 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.206 -6.280 7.138 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.024 -4.338 6.393 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.838 -4.113 4.095 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.645 -5.431 4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.394 -5.804 3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.496 -3.530 4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.027 -5.200 4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.406 -4.417 5.831 1.00 0.00 H new ATOM 587 N LYS A 39 -0.212 -8.848 8.112 1.00 0.00 N ATOM 588 CA LYS A 39 -0.320 -9.637 9.333 1.00 0.00 C ATOM 589 C LYS A 39 1.064 -10.017 9.851 1.00 0.00 C ATOM 590 O LYS A 39 1.233 -10.349 11.023 1.00 0.00 O ATOM 591 CB LYS A 39 -1.150 -10.895 9.077 1.00 0.00 C ATOM 592 CG LYS A 39 -2.507 -10.600 8.460 1.00 0.00 C ATOM 593 CD LYS A 39 -3.302 -11.870 8.203 1.00 0.00 C ATOM 594 CE LYS A 39 -2.603 -12.781 7.208 1.00 0.00 C ATOM 595 NZ LYS A 39 -3.336 -14.063 7.016 1.00 0.00 N ATOM 0 H LYS A 39 -0.749 -9.212 7.325 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.819 -9.033 10.091 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.595 -11.561 8.417 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.293 -11.426 10.018 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.073 -9.946 9.123 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.370 -10.062 7.522 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.450 -12.403 9.142 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.291 -11.610 7.825 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.511 -12.269 6.250 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.592 -12.990 7.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.826 -14.655 6.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.402 -14.565 7.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.293 -13.866 6.659 1.00 0.00 H new ATOM 609 N SER A 40 2.057 -9.939 8.968 1.00 0.00 N ATOM 610 CA SER A 40 3.450 -10.140 9.358 1.00 0.00 C ATOM 611 C SER A 40 3.965 -8.961 10.180 1.00 0.00 C ATOM 612 O SER A 40 4.489 -9.143 11.278 1.00 0.00 O ATOM 613 CB SER A 40 4.326 -10.337 8.120 1.00 0.00 C ATOM 614 OG SER A 40 3.953 -11.505 7.411 1.00 0.00 O ATOM 0 H SER A 40 1.922 -9.738 7.977 1.00 0.00 H new ATOM 0 HA SER A 40 3.500 -11.037 9.976 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.239 -9.468 7.467 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.372 -10.408 8.418 1.00 0.00 H new ATOM 0 HG SER A 40 3.717 -11.267 6.490 1.00 0.00 H new ATOM 620 N VAL A 41 3.813 -7.751 9.640 1.00 0.00 N ATOM 621 CA VAL A 41 4.231 -6.540 10.348 1.00 0.00 C ATOM 622 C VAL A 41 3.635 -6.505 11.748 1.00 0.00 C ATOM 623 O VAL A 41 4.288 -6.094 12.707 1.00 0.00 O ATOM 624 CB VAL A 41 3.804 -5.248 9.612 1.00 0.00 C ATOM 625 CG1 VAL A 41 4.956 -4.263 9.546 1.00 0.00 C ATOM 626 CG2 VAL A 41 3.279 -5.553 8.220 1.00 0.00 C ATOM 0 H VAL A 41 3.406 -7.584 8.720 1.00 0.00 H new ATOM 0 HA VAL A 41 5.319 -6.575 10.393 1.00 0.00 H new ATOM 0 HB VAL A 41 2.993 -4.793 10.181 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.634 -3.361 9.024 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.272 -4.004 10.557 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.790 -4.714 9.009 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.987 -4.624 7.730 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.059 -6.042 7.636 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.414 -6.212 8.294 1.00 0.00 H new ATOM 636 N GLY A 42 2.379 -6.924 11.848 1.00 0.00 N ATOM 637 CA GLY A 42 1.657 -6.834 13.100 1.00 0.00 C ATOM 638 C GLY A 42 0.219 -6.415 12.895 1.00 0.00 C ATOM 639 O GLY A 42 -0.459 -6.007 13.838 1.00 0.00 O ATOM 0 H GLY A 42 1.846 -7.327 11.077 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.685 -7.800 13.605 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.154 -6.118 13.754 1.00 0.00 H new ATOM 643 N ALA A 43 -0.247 -6.525 11.654 1.00 0.00 N ATOM 644 CA ALA A 43 -1.634 -6.208 11.321 1.00 0.00 C ATOM 645 C ALA A 43 -2.616 -7.097 12.087 1.00 0.00 C ATOM 646 O ALA A 43 -2.258 -7.726 13.083 1.00 0.00 O ATOM 647 CB ALA A 43 -1.853 -6.346 9.822 1.00 0.00 C ATOM 0 H ALA A 43 0.316 -6.832 10.861 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.824 -5.177 11.619 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.889 -6.108 9.582 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.191 -5.660 9.293 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.635 -7.369 9.515 1.00 0.00 H new ATOM 653 N GLN A 44 -3.865 -7.113 11.627 1.00 0.00 N ATOM 654 CA GLN A 44 -4.954 -7.757 12.353 1.00 0.00 C ATOM 655 C GLN A 44 -6.244 -7.656 11.547 1.00 0.00 C ATOM 656 O GLN A 44 -7.059 -6.764 11.777 1.00 0.00 O ATOM 657 CB GLN A 44 -5.140 -7.110 13.728 1.00 0.00 C ATOM 658 CG GLN A 44 -6.213 -7.776 14.576 1.00 0.00 C ATOM 659 CD GLN A 44 -5.905 -9.232 14.869 1.00 0.00 C ATOM 660 OE1 GLN A 44 -6.295 -10.124 14.115 1.00 0.00 O ATOM 661 NE2 GLN A 44 -5.203 -9.478 15.968 1.00 0.00 N ATOM 0 H GLN A 44 -4.148 -6.683 10.747 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.704 -8.808 12.498 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.192 -7.141 14.266 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -5.396 -6.059 13.594 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.316 -7.234 15.516 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.172 -7.708 14.062 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.901 -8.707 16.563 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.966 -10.438 16.217 1.00 0.00 H new ATOM 670 N LYS A 45 -6.371 -8.539 10.558 1.00 0.00 N ATOM 671 CA LYS A 45 -7.294 -8.345 9.435 1.00 0.00 C ATOM 672 C LYS A 45 -8.592 -7.660 9.851 1.00 0.00 C ATOM 673 O LYS A 45 -8.658 -6.434 9.934 1.00 0.00 O ATOM 674 CB LYS A 45 -7.616 -9.683 8.766 1.00 0.00 C ATOM 675 CG LYS A 45 -6.403 -10.571 8.553 1.00 0.00 C ATOM 676 CD LYS A 45 -6.783 -11.891 7.898 1.00 0.00 C ATOM 677 CE LYS A 45 -7.305 -11.684 6.484 1.00 0.00 C ATOM 678 NZ LYS A 45 -7.689 -12.971 5.839 1.00 0.00 N ATOM 0 H LYS A 45 -5.839 -9.408 10.510 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.786 -7.689 8.728 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.343 -10.218 9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.088 -9.492 7.802 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.676 -10.051 7.930 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.921 -10.765 9.511 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.914 -12.549 7.873 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.544 -12.390 8.498 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.168 -11.019 6.510 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.541 -11.191 5.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.039 -12.786 4.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.859 -13.596 5.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.437 -13.430 6.398 1.00 0.00 H new ATOM 692 N ASP A 46 -9.651 -8.453 10.009 1.00 0.00 N ATOM 693 CA ASP A 46 -11.002 -7.945 9.820 1.00 0.00 C ATOM 694 C ASP A 46 -11.091 -7.211 8.486 1.00 0.00 C ATOM 695 O ASP A 46 -11.551 -6.072 8.421 1.00 0.00 O ATOM 696 CB ASP A 46 -11.393 -7.010 10.967 1.00 0.00 C ATOM 697 CG ASP A 46 -11.361 -7.703 12.316 1.00 0.00 C ATOM 698 OD1 ASP A 46 -12.401 -8.264 12.720 1.00 0.00 O ATOM 699 OD2 ASP A 46 -10.296 -7.685 12.967 1.00 0.00 O ATOM 0 H ASP A 46 -9.598 -9.439 10.265 1.00 0.00 H new ATOM 0 HA ASP A 46 -11.696 -8.785 9.815 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.715 -6.157 10.984 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.394 -6.618 10.787 1.00 0.00 H new ATOM 704 N THR A 47 -10.581 -7.863 7.438 1.00 0.00 N ATOM 705 CA THR A 47 -10.268 -7.193 6.174 1.00 0.00 C ATOM 706 C THR A 47 -9.263 -6.075 6.385 1.00 0.00 C ATOM 707 O THR A 47 -8.650 -5.963 7.446 1.00 0.00 O ATOM 708 CB THR A 47 -11.516 -6.597 5.485 1.00 0.00 C ATOM 709 OG1 THR A 47 -11.891 -5.368 6.117 1.00 0.00 O ATOM 710 CG2 THR A 47 -12.687 -7.563 5.524 1.00 0.00 C ATOM 0 H THR A 47 -10.375 -8.862 7.441 1.00 0.00 H new ATOM 0 HA THR A 47 -9.850 -7.965 5.528 1.00 0.00 H new ATOM 0 HB THR A 47 -11.259 -6.410 4.442 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.078 -5.531 7.065 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.548 -7.111 5.031 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.416 -8.485 5.009 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.939 -7.787 6.560 1.00 0.00 H new ATOM 718 N TYR A 48 -9.081 -5.267 5.354 1.00 0.00 N ATOM 719 CA TYR A 48 -8.061 -4.235 5.366 1.00 0.00 C ATOM 720 C TYR A 48 -8.482 -3.054 4.526 1.00 0.00 C ATOM 721 O TYR A 48 -9.074 -3.218 3.464 1.00 0.00 O ATOM 722 CB TYR A 48 -6.754 -4.783 4.830 1.00 0.00 C ATOM 723 CG TYR A 48 -6.028 -5.645 5.816 1.00 0.00 C ATOM 724 CD1 TYR A 48 -5.307 -5.073 6.849 1.00 0.00 C ATOM 725 CD2 TYR A 48 -6.053 -7.024 5.705 1.00 0.00 C ATOM 726 CE1 TYR A 48 -4.618 -5.861 7.752 1.00 0.00 C ATOM 727 CE2 TYR A 48 -5.371 -7.822 6.599 1.00 0.00 C ATOM 728 CZ TYR A 48 -4.651 -7.236 7.622 1.00 0.00 C ATOM 729 OH TYR A 48 -3.972 -8.025 8.519 1.00 0.00 O ATOM 0 H TYR A 48 -9.630 -5.307 4.495 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.927 -3.909 6.397 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.953 -5.362 3.928 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.111 -3.952 4.540 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.282 -3.998 6.951 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.616 -7.483 4.905 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.057 -5.404 8.554 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.399 -8.897 6.500 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.590 -8.673 8.918 1.00 0.00 H new ATOM 739 N THR A 49 -8.168 -1.862 4.999 1.00 0.00 N ATOM 740 CA THR A 49 -8.561 -0.665 4.279 1.00 0.00 C ATOM 741 C THR A 49 -7.436 -0.192 3.378 1.00 0.00 C ATOM 742 O THR A 49 -6.408 -0.858 3.248 1.00 0.00 O ATOM 743 CB THR A 49 -8.956 0.492 5.215 1.00 0.00 C ATOM 744 OG1 THR A 49 -9.376 -0.020 6.485 1.00 0.00 O ATOM 745 CG2 THR A 49 -10.076 1.321 4.601 1.00 0.00 C ATOM 0 H THR A 49 -7.651 -1.698 5.863 1.00 0.00 H new ATOM 0 HA THR A 49 -9.435 -0.941 3.689 1.00 0.00 H new ATOM 0 HB THR A 49 -8.083 1.130 5.356 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.623 0.725 7.072 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.340 2.133 5.278 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.742 1.735 3.650 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.948 0.688 4.435 1.00 0.00 H new ATOM 753 N MET A 50 -7.628 0.966 2.773 1.00 0.00 N ATOM 754 CA MET A 50 -6.610 1.569 1.935 1.00 0.00 C ATOM 755 C MET A 50 -5.626 2.381 2.770 1.00 0.00 C ATOM 756 O MET A 50 -4.484 2.594 2.369 1.00 0.00 O ATOM 757 CB MET A 50 -7.273 2.452 0.887 1.00 0.00 C ATOM 758 CG MET A 50 -7.993 1.661 -0.193 1.00 0.00 C ATOM 759 SD MET A 50 -6.906 0.507 -1.051 1.00 0.00 S ATOM 760 CE MET A 50 -5.700 1.630 -1.750 1.00 0.00 C ATOM 0 H MET A 50 -8.487 1.511 2.848 1.00 0.00 H new ATOM 0 HA MET A 50 -6.050 0.777 1.438 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.985 3.116 1.378 1.00 0.00 H new ATOM 0 HB3 MET A 50 -6.516 3.084 0.422 1.00 0.00 H new ATOM 0 HG2 MET A 50 -8.819 1.110 0.256 1.00 0.00 H new ATOM 0 HG3 MET A 50 -8.426 2.352 -0.916 1.00 0.00 H new ATOM 0 HE1 MET A 50 -5.247 1.175 -2.631 1.00 0.00 H new ATOM 0 HE2 MET A 50 -6.191 2.561 -2.034 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.926 1.839 -1.011 1.00 0.00 H new ATOM 770 N LYS A 51 -6.074 2.817 3.944 1.00 0.00 N ATOM 771 CA LYS A 51 -5.210 3.543 4.866 1.00 0.00 C ATOM 772 C LYS A 51 -4.455 2.567 5.756 1.00 0.00 C ATOM 773 O LYS A 51 -3.283 2.775 6.079 1.00 0.00 O ATOM 774 CB LYS A 51 -6.031 4.511 5.722 1.00 0.00 C ATOM 775 CG LYS A 51 -7.134 3.836 6.521 1.00 0.00 C ATOM 776 CD LYS A 51 -7.929 4.841 7.344 1.00 0.00 C ATOM 777 CE LYS A 51 -7.175 5.272 8.594 1.00 0.00 C ATOM 778 NZ LYS A 51 -5.954 6.060 8.272 1.00 0.00 N ATOM 0 H LYS A 51 -7.028 2.680 4.278 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.491 4.120 4.285 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.363 5.031 6.409 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.474 5.268 5.075 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.805 3.310 5.842 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.698 3.087 7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.150 5.716 6.733 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.885 4.402 7.630 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.834 5.868 9.226 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.894 4.390 9.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.820 6.801 8.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.126 5.430 8.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.062 6.500 7.336 1.00 0.00 H new ATOM 792 N GLU A 52 -5.131 1.482 6.121 1.00 0.00 N ATOM 793 CA GLU A 52 -4.490 0.383 6.823 1.00 0.00 C ATOM 794 C GLU A 52 -3.308 -0.140 6.017 1.00 0.00 C ATOM 795 O GLU A 52 -2.183 -0.192 6.513 1.00 0.00 O ATOM 796 CB GLU A 52 -5.494 -0.744 7.067 1.00 0.00 C ATOM 797 CG GLU A 52 -5.341 -1.418 8.420 1.00 0.00 C ATOM 798 CD GLU A 52 -5.661 -0.490 9.575 1.00 0.00 C ATOM 799 OE1 GLU A 52 -6.841 -0.432 9.979 1.00 0.00 O ATOM 800 OE2 GLU A 52 -4.734 0.177 10.077 1.00 0.00 O ATOM 0 H GLU A 52 -6.125 1.343 5.940 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.127 0.748 7.784 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.504 -0.343 6.983 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.383 -1.493 6.283 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.997 -2.287 8.465 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.320 -1.784 8.526 1.00 0.00 H new ATOM 807 N VAL A 53 -3.567 -0.509 4.765 1.00 0.00 N ATOM 808 CA VAL A 53 -2.525 -0.958 3.871 1.00 0.00 C ATOM 809 C VAL A 53 -1.579 0.180 3.503 1.00 0.00 C ATOM 810 O VAL A 53 -0.428 -0.054 3.151 1.00 0.00 O ATOM 811 CB VAL A 53 -3.129 -1.548 2.591 1.00 0.00 C ATOM 812 CG1 VAL A 53 -4.068 -2.698 2.921 1.00 0.00 C ATOM 813 CG2 VAL A 53 -3.845 -0.474 1.789 1.00 0.00 C ATOM 0 H VAL A 53 -4.500 -0.502 4.353 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.958 -1.728 4.395 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.317 -1.940 1.979 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.486 -3.103 1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.516 -3.480 3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.876 -2.337 3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.266 -0.915 0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.646 -0.044 2.390 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.137 0.308 1.515 1.00 0.00 H new ATOM 823 N LEU A 54 -2.070 1.413 3.588 1.00 0.00 N ATOM 824 CA LEU A 54 -1.238 2.578 3.304 1.00 0.00 C ATOM 825 C LEU A 54 0.053 2.533 4.111 1.00 0.00 C ATOM 826 O LEU A 54 1.134 2.322 3.559 1.00 0.00 O ATOM 827 CB LEU A 54 -2.001 3.871 3.608 1.00 0.00 C ATOM 828 CG LEU A 54 -1.175 5.156 3.490 1.00 0.00 C ATOM 829 CD1 LEU A 54 -0.600 5.298 2.087 1.00 0.00 C ATOM 830 CD2 LEU A 54 -2.025 6.367 3.842 1.00 0.00 C ATOM 0 H LEU A 54 -3.032 1.631 3.849 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.985 2.559 2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.852 3.941 2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.404 3.808 4.619 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.346 5.098 4.195 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.017 6.217 2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.042 4.445 1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.413 5.334 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.424 7.272 3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.873 6.427 3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.388 6.272 4.865 1.00 0.00 H new ATOM 842 N PHE A 55 -0.061 2.742 5.419 1.00 0.00 N ATOM 843 CA PHE A 55 1.120 2.803 6.274 1.00 0.00 C ATOM 844 C PHE A 55 1.749 1.422 6.429 1.00 0.00 C ATOM 845 O PHE A 55 2.971 1.296 6.487 1.00 0.00 O ATOM 846 CB PHE A 55 0.766 3.381 7.648 1.00 0.00 C ATOM 847 CG PHE A 55 -0.012 2.444 8.529 1.00 0.00 C ATOM 848 CD1 PHE A 55 -1.377 2.290 8.364 1.00 0.00 C ATOM 849 CD2 PHE A 55 0.625 1.724 9.528 1.00 0.00 C ATOM 850 CE1 PHE A 55 -2.095 1.433 9.176 1.00 0.00 C ATOM 851 CE2 PHE A 55 -0.088 0.867 10.345 1.00 0.00 C ATOM 852 CZ PHE A 55 -1.450 0.722 10.167 1.00 0.00 C ATOM 0 H PHE A 55 -0.948 2.871 5.906 1.00 0.00 H new ATOM 0 HA PHE A 55 1.846 3.462 5.797 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.687 3.662 8.159 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.188 4.294 7.507 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.887 2.846 7.592 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.690 1.834 9.669 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.160 1.320 9.035 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.419 0.312 11.121 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.010 0.052 10.803 1.00 0.00 H new ATOM 862 N TYR A 56 0.908 0.393 6.501 1.00 0.00 N ATOM 863 CA TYR A 56 1.385 -0.969 6.720 1.00 0.00 C ATOM 864 C TYR A 56 2.258 -1.450 5.572 1.00 0.00 C ATOM 865 O TYR A 56 3.367 -1.935 5.790 1.00 0.00 O ATOM 866 CB TYR A 56 0.211 -1.927 6.911 1.00 0.00 C ATOM 867 CG TYR A 56 -0.015 -2.313 8.352 1.00 0.00 C ATOM 868 CD1 TYR A 56 1.058 -2.553 9.199 1.00 0.00 C ATOM 869 CD2 TYR A 56 -1.298 -2.435 8.864 1.00 0.00 C ATOM 870 CE1 TYR A 56 0.862 -2.906 10.518 1.00 0.00 C ATOM 871 CE2 TYR A 56 -1.507 -2.786 10.182 1.00 0.00 C ATOM 872 CZ TYR A 56 -0.424 -3.021 11.007 1.00 0.00 C ATOM 873 OH TYR A 56 -0.627 -3.372 12.322 1.00 0.00 O ATOM 0 H TYR A 56 -0.105 0.477 6.411 1.00 0.00 H new ATOM 0 HA TYR A 56 1.991 -0.957 7.626 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.695 -1.464 6.520 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.387 -2.828 6.324 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.065 -2.462 8.818 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.147 -2.252 8.221 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.708 -3.091 11.163 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.512 -2.877 10.567 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.555 -3.180 12.572 1.00 0.00 H new ATOM 883 N LEU A 57 1.763 -1.307 4.351 1.00 0.00 N ATOM 884 CA LEU A 57 2.569 -1.606 3.178 1.00 0.00 C ATOM 885 C LEU A 57 3.891 -0.858 3.260 1.00 0.00 C ATOM 886 O LEU A 57 4.956 -1.451 3.115 1.00 0.00 O ATOM 887 CB LEU A 57 1.813 -1.222 1.900 1.00 0.00 C ATOM 888 CG LEU A 57 2.187 -2.006 0.637 1.00 0.00 C ATOM 889 CD1 LEU A 57 3.601 -1.670 0.192 1.00 0.00 C ATOM 890 CD2 LEU A 57 2.037 -3.501 0.867 1.00 0.00 C ATOM 0 H LEU A 57 0.815 -0.989 4.148 1.00 0.00 H new ATOM 0 HA LEU A 57 2.770 -2.677 3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.746 -1.350 2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.979 -0.162 1.708 1.00 0.00 H new ATOM 0 HG LEU A 57 1.502 -1.713 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.845 -2.238 -0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.671 -0.604 -0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.303 -1.927 0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.308 -4.038 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.693 -3.812 1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.003 -3.727 1.128 1.00 0.00 H new ATOM 902 N GLY A 58 3.811 0.440 3.543 1.00 0.00 N ATOM 903 CA GLY A 58 5.008 1.213 3.820 1.00 0.00 C ATOM 904 C GLY A 58 5.908 0.543 4.842 1.00 0.00 C ATOM 905 O GLY A 58 7.131 0.553 4.701 1.00 0.00 O ATOM 0 H GLY A 58 2.940 0.969 3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.563 1.362 2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.723 2.200 4.183 1.00 0.00 H new ATOM 909 N GLN A 59 5.302 -0.050 5.870 1.00 0.00 N ATOM 910 CA GLN A 59 6.059 -0.753 6.898 1.00 0.00 C ATOM 911 C GLN A 59 6.836 -1.916 6.296 1.00 0.00 C ATOM 912 O GLN A 59 8.063 -1.956 6.367 1.00 0.00 O ATOM 913 CB GLN A 59 5.134 -1.272 8.004 1.00 0.00 C ATOM 914 CG GLN A 59 4.308 -0.194 8.685 1.00 0.00 C ATOM 915 CD GLN A 59 5.138 1.005 9.103 1.00 0.00 C ATOM 916 OE1 GLN A 59 5.668 1.050 10.213 1.00 0.00 O ATOM 917 NE2 GLN A 59 5.252 1.986 8.215 1.00 0.00 N ATOM 0 H GLN A 59 4.292 -0.056 6.011 1.00 0.00 H new ATOM 0 HA GLN A 59 6.762 -0.042 7.333 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.460 -2.015 7.579 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.736 -1.781 8.756 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.519 0.134 8.009 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.820 -0.617 9.563 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.796 1.907 7.306 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.796 2.819 8.442 1.00 0.00 H new ATOM 926 N TYR A 60 6.114 -2.876 5.725 1.00 0.00 N ATOM 927 CA TYR A 60 6.733 -4.104 5.241 1.00 0.00 C ATOM 928 C TYR A 60 7.842 -3.809 4.228 1.00 0.00 C ATOM 929 O TYR A 60 8.864 -4.495 4.201 1.00 0.00 O ATOM 930 CB TYR A 60 5.678 -5.018 4.625 1.00 0.00 C ATOM 931 CG TYR A 60 6.222 -6.351 4.171 1.00 0.00 C ATOM 932 CD1 TYR A 60 6.404 -7.391 5.072 1.00 0.00 C ATOM 933 CD2 TYR A 60 6.550 -6.568 2.842 1.00 0.00 C ATOM 934 CE1 TYR A 60 6.899 -8.612 4.660 1.00 0.00 C ATOM 935 CE2 TYR A 60 7.046 -7.785 2.420 1.00 0.00 C ATOM 936 CZ TYR A 60 7.219 -8.804 3.334 1.00 0.00 C ATOM 937 OH TYR A 60 7.712 -10.020 2.919 1.00 0.00 O ATOM 0 H TYR A 60 5.105 -2.827 5.587 1.00 0.00 H new ATOM 0 HA TYR A 60 7.188 -4.610 6.093 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.886 -5.188 5.355 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.224 -4.512 3.773 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.154 -7.243 6.112 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.415 -5.772 2.125 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.035 -9.412 5.373 1.00 0.00 H new ATOM 0 HE2 TYR A 60 7.297 -7.939 1.381 1.00 0.00 H new ATOM 0 HH TYR A 60 8.552 -9.884 2.433 1.00 0.00 H new ATOM 947 N ILE A 61 7.648 -2.774 3.413 1.00 0.00 N ATOM 948 CA ILE A 61 8.696 -2.309 2.503 1.00 0.00 C ATOM 949 C ILE A 61 9.953 -1.945 3.274 1.00 0.00 C ATOM 950 O ILE A 61 11.068 -2.268 2.865 1.00 0.00 O ATOM 951 CB ILE A 61 8.243 -1.077 1.686 1.00 0.00 C ATOM 952 CG1 ILE A 61 6.897 -1.341 1.013 1.00 0.00 C ATOM 953 CG2 ILE A 61 9.288 -0.714 0.643 1.00 0.00 C ATOM 954 CD1 ILE A 61 6.728 -2.767 0.554 1.00 0.00 C ATOM 0 H ILE A 61 6.779 -2.242 3.363 1.00 0.00 H new ATOM 0 HA ILE A 61 8.903 -3.130 1.817 1.00 0.00 H new ATOM 0 HB ILE A 61 8.129 -0.238 2.373 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.096 -1.094 1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.791 -0.676 0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.951 0.155 0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.231 -0.482 1.138 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.432 -1.555 -0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.751 -2.885 0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.508 -3.012 -0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.802 -3.436 1.411 1.00 0.00 H new ATOM 966 N MET A 62 9.755 -1.265 4.390 1.00 0.00 N ATOM 967 CA MET A 62 10.867 -0.830 5.231 1.00 0.00 C ATOM 968 C MET A 62 11.111 -1.812 6.374 1.00 0.00 C ATOM 969 O MET A 62 11.852 -1.517 7.313 1.00 0.00 O ATOM 970 CB MET A 62 10.602 0.571 5.790 1.00 0.00 C ATOM 971 CG MET A 62 9.424 0.637 6.748 1.00 0.00 C ATOM 972 SD MET A 62 9.130 2.301 7.376 1.00 0.00 S ATOM 973 CE MET A 62 8.781 3.181 5.856 1.00 0.00 C ATOM 0 H MET A 62 8.834 -1.000 4.739 1.00 0.00 H new ATOM 0 HA MET A 62 11.762 -0.800 4.609 1.00 0.00 H new ATOM 0 HB2 MET A 62 11.497 0.922 6.304 1.00 0.00 H new ATOM 0 HB3 MET A 62 10.422 1.255 4.960 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.528 0.281 6.240 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.604 -0.037 7.586 1.00 0.00 H new ATOM 0 HE1 MET A 62 7.910 3.821 5.998 1.00 0.00 H new ATOM 0 HE2 MET A 62 9.641 3.793 5.584 1.00 0.00 H new ATOM 0 HE3 MET A 62 8.579 2.465 5.059 1.00 0.00 H new ATOM 983 N THR A 63 10.491 -2.986 6.283 1.00 0.00 N ATOM 984 CA THR A 63 10.686 -4.037 7.277 1.00 0.00 C ATOM 985 C THR A 63 11.143 -5.335 6.612 1.00 0.00 C ATOM 986 O THR A 63 11.062 -5.474 5.391 1.00 0.00 O ATOM 987 CB THR A 63 9.390 -4.296 8.074 1.00 0.00 C ATOM 988 OG1 THR A 63 8.858 -3.057 8.558 1.00 0.00 O ATOM 989 CG2 THR A 63 9.644 -5.226 9.252 1.00 0.00 C ATOM 0 H THR A 63 9.849 -3.233 5.530 1.00 0.00 H new ATOM 0 HA THR A 63 11.460 -3.696 7.965 1.00 0.00 H new ATOM 0 HB THR A 63 8.674 -4.771 7.403 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.649 -2.472 7.800 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.713 -5.389 9.794 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.024 -6.180 8.887 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.378 -4.775 9.920 1.00 0.00 H new ATOM 997 N LYS A 64 11.618 -6.280 7.422 1.00 0.00 N ATOM 998 CA LYS A 64 12.040 -7.588 6.925 1.00 0.00 C ATOM 999 C LYS A 64 13.292 -7.469 6.061 1.00 0.00 C ATOM 1000 O LYS A 64 13.551 -8.316 5.205 1.00 0.00 O ATOM 1001 CB LYS A 64 10.913 -8.250 6.127 1.00 0.00 C ATOM 1002 CG LYS A 64 9.604 -8.363 6.894 1.00 0.00 C ATOM 1003 CD LYS A 64 9.734 -9.293 8.090 1.00 0.00 C ATOM 1004 CE LYS A 64 8.426 -9.400 8.857 1.00 0.00 C ATOM 1005 NZ LYS A 64 7.971 -8.078 9.368 1.00 0.00 N ATOM 0 H LYS A 64 11.720 -6.163 8.430 1.00 0.00 H new ATOM 0 HA LYS A 64 12.276 -8.212 7.787 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.741 -7.678 5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.232 -9.247 5.823 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.294 -7.375 7.233 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.823 -8.731 6.229 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.040 -10.283 7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.517 -8.927 8.754 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.658 -9.822 8.208 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.551 -10.089 9.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.153 -8.212 9.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.744 -7.625 9.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.697 -7.472 8.568 1.00 0.00 H new ATOM 1019 N ARG A 65 14.067 -6.414 6.299 1.00 0.00 N ATOM 1020 CA ARG A 65 15.310 -6.188 5.568 1.00 0.00 C ATOM 1021 C ARG A 65 15.057 -6.087 4.068 1.00 0.00 C ATOM 1022 O ARG A 65 15.493 -6.940 3.294 1.00 0.00 O ATOM 1023 CB ARG A 65 16.314 -7.306 5.858 1.00 0.00 C ATOM 1024 CG ARG A 65 16.678 -7.434 7.328 1.00 0.00 C ATOM 1025 CD ARG A 65 17.682 -8.550 7.558 1.00 0.00 C ATOM 1026 NE ARG A 65 17.174 -9.844 7.114 1.00 0.00 N ATOM 1027 CZ ARG A 65 17.899 -10.959 7.104 1.00 0.00 C ATOM 1028 NH1 ARG A 65 19.160 -10.937 7.514 1.00 0.00 N ATOM 1029 NH2 ARG A 65 17.362 -12.096 6.685 1.00 0.00 N ATOM 0 H ARG A 65 13.855 -5.700 6.995 1.00 0.00 H new ATOM 0 HA ARG A 65 15.728 -5.240 5.908 1.00 0.00 H new ATOM 0 HB2 ARG A 65 15.900 -8.253 5.512 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.222 -7.125 5.282 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.093 -6.491 7.685 1.00 0.00 H new ATOM 0 HG3 ARG A 65 15.778 -7.627 7.911 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.606 -8.322 7.026 1.00 0.00 H new ATOM 0 HD3 ARG A 65 17.929 -8.602 8.618 1.00 0.00 H new ATOM 0 HE ARG A 65 16.207 -9.896 6.793 1.00 0.00 H new ATOM 0 HH11 ARG A 65 19.576 -10.064 7.838 1.00 0.00 H new ATOM 0 HH12 ARG A 65 19.714 -11.793 7.505 1.00 0.00 H new ATOM 0 HH21 ARG A 65 16.392 -12.116 6.370 1.00 0.00 H new ATOM 0 HH22 ARG A 65 17.919 -12.951 6.678 1.00 0.00 H new ATOM 1043 N LEU A 66 14.348 -5.039 3.668 1.00 0.00 N ATOM 1044 CA LEU A 66 13.993 -4.837 2.269 1.00 0.00 C ATOM 1045 C LEU A 66 14.527 -3.498 1.764 1.00 0.00 C ATOM 1046 O LEU A 66 15.573 -3.035 2.219 1.00 0.00 O ATOM 1047 CB LEU A 66 12.471 -4.900 2.106 1.00 0.00 C ATOM 1048 CG LEU A 66 11.897 -6.270 1.721 1.00 0.00 C ATOM 1049 CD1 LEU A 66 12.646 -7.402 2.409 1.00 0.00 C ATOM 1050 CD2 LEU A 66 10.419 -6.332 2.066 1.00 0.00 C ATOM 0 H LEU A 66 14.006 -4.312 4.297 1.00 0.00 H new ATOM 0 HA LEU A 66 14.448 -5.629 1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.011 -4.584 3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.176 -4.177 1.346 1.00 0.00 H new ATOM 0 HG LEU A 66 12.020 -6.395 0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.213 -8.357 2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.696 -7.374 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.567 -7.287 3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.021 -7.308 1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.289 -6.178 3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.885 -5.554 1.520 1.00 0.00 H new ATOM 1062 N TYR A 67 13.799 -2.888 0.826 1.00 0.00 N ATOM 1063 CA TYR A 67 14.145 -1.571 0.282 1.00 0.00 C ATOM 1064 C TYR A 67 15.621 -1.479 -0.107 1.00 0.00 C ATOM 1065 O TYR A 67 16.370 -2.448 0.007 1.00 0.00 O ATOM 1066 CB TYR A 67 13.767 -0.452 1.267 1.00 0.00 C ATOM 1067 CG TYR A 67 14.664 -0.337 2.482 1.00 0.00 C ATOM 1068 CD1 TYR A 67 15.861 0.363 2.418 1.00 0.00 C ATOM 1069 CD2 TYR A 67 14.309 -0.923 3.693 1.00 0.00 C ATOM 1070 CE1 TYR A 67 16.681 0.477 3.523 1.00 0.00 C ATOM 1071 CE2 TYR A 67 15.125 -0.813 4.803 1.00 0.00 C ATOM 1072 CZ TYR A 67 16.309 -0.112 4.712 1.00 0.00 C ATOM 1073 OH TYR A 67 17.124 0.001 5.817 1.00 0.00 O ATOM 0 H TYR A 67 12.954 -3.292 0.422 1.00 0.00 H new ATOM 0 HA TYR A 67 13.563 -1.438 -0.630 1.00 0.00 H new ATOM 0 HB2 TYR A 67 13.779 0.499 0.735 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.744 -0.616 1.604 1.00 0.00 H new ATOM 0 HD1 TYR A 67 16.156 0.826 1.488 1.00 0.00 H new ATOM 0 HD2 TYR A 67 13.382 -1.472 3.767 1.00 0.00 H new ATOM 0 HE1 TYR A 67 17.609 1.025 3.456 1.00 0.00 H new ATOM 0 HE2 TYR A 67 14.837 -1.273 5.736 1.00 0.00 H new ATOM 0 HH TYR A 67 16.716 -0.470 6.574 1.00 0.00 H new ATOM 1083 N ASP A 68 16.027 -0.308 -0.588 1.00 0.00 N ATOM 1084 CA ASP A 68 17.407 -0.091 -1.007 1.00 0.00 C ATOM 1085 C ASP A 68 18.347 -0.124 0.199 1.00 0.00 C ATOM 1086 O ASP A 68 18.678 -1.201 0.699 1.00 0.00 O ATOM 1087 CB ASP A 68 17.529 1.243 -1.759 1.00 0.00 C ATOM 1088 CG ASP A 68 18.916 1.475 -2.335 1.00 0.00 C ATOM 1089 OD1 ASP A 68 19.900 0.989 -1.742 1.00 0.00 O ATOM 1090 OD2 ASP A 68 19.014 2.148 -3.382 1.00 0.00 O ATOM 0 H ASP A 68 15.420 0.505 -0.697 1.00 0.00 H new ATOM 0 HA ASP A 68 17.698 -0.895 -1.683 1.00 0.00 H new ATOM 0 HB2 ASP A 68 16.798 1.267 -2.567 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.282 2.060 -1.081 1.00 0.00 H new ATOM 1095 N GLU A 69 18.758 1.052 0.671 1.00 0.00 N ATOM 1096 CA GLU A 69 19.615 1.153 1.852 1.00 0.00 C ATOM 1097 C GLU A 69 20.020 2.601 2.107 1.00 0.00 C ATOM 1098 O GLU A 69 20.179 3.017 3.255 1.00 0.00 O ATOM 1099 CB GLU A 69 20.869 0.290 1.686 1.00 0.00 C ATOM 1100 CG GLU A 69 21.778 0.296 2.904 1.00 0.00 C ATOM 1101 CD GLU A 69 23.006 -0.575 2.719 1.00 0.00 C ATOM 1102 OE1 GLU A 69 22.939 -1.776 3.058 1.00 0.00 O ATOM 1103 OE2 GLU A 69 24.034 -0.056 2.235 1.00 0.00 O ATOM 0 H GLU A 69 18.511 1.949 0.253 1.00 0.00 H new ATOM 0 HA GLU A 69 19.045 0.791 2.708 1.00 0.00 H new ATOM 0 HB2 GLU A 69 20.568 -0.736 1.473 1.00 0.00 H new ATOM 0 HB3 GLU A 69 21.431 0.644 0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 69 22.091 1.319 3.114 1.00 0.00 H new ATOM 0 HG3 GLU A 69 21.218 -0.051 3.772 1.00 0.00 H new ATOM 1110 N LYS A 70 20.187 3.361 1.031 1.00 0.00 N ATOM 1111 CA LYS A 70 20.585 4.761 1.144 1.00 0.00 C ATOM 1112 C LYS A 70 19.353 5.651 1.253 1.00 0.00 C ATOM 1113 O LYS A 70 19.254 6.488 2.149 1.00 0.00 O ATOM 1114 CB LYS A 70 21.438 5.176 -0.058 1.00 0.00 C ATOM 1115 CG LYS A 70 20.789 4.882 -1.401 1.00 0.00 C ATOM 1116 CD LYS A 70 21.681 5.305 -2.561 1.00 0.00 C ATOM 1117 CE LYS A 70 21.880 6.812 -2.595 1.00 0.00 C ATOM 1118 NZ LYS A 70 22.749 7.231 -3.729 1.00 0.00 N ATOM 0 H LYS A 70 20.054 3.034 0.074 1.00 0.00 H new ATOM 0 HA LYS A 70 21.184 4.880 2.047 1.00 0.00 H new ATOM 0 HB2 LYS A 70 21.647 6.244 0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 70 22.397 4.660 -0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 70 20.575 3.816 -1.476 1.00 0.00 H new ATOM 0 HG3 LYS A 70 19.835 5.404 -1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 70 22.649 4.812 -2.475 1.00 0.00 H new ATOM 0 HD3 LYS A 70 21.238 4.975 -3.500 1.00 0.00 H new ATOM 0 HE2 LYS A 70 20.911 7.304 -2.679 1.00 0.00 H new ATOM 0 HE3 LYS A 70 22.325 7.141 -1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 22.860 8.265 -3.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 23.682 6.781 -3.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 22.312 6.940 -4.627 1.00 0.00 H new ATOM 1132 N GLN A 71 18.395 5.416 0.368 1.00 0.00 N ATOM 1133 CA GLN A 71 17.042 5.915 0.551 1.00 0.00 C ATOM 1134 C GLN A 71 16.041 4.780 0.384 1.00 0.00 C ATOM 1135 O GLN A 71 16.102 4.028 -0.588 1.00 0.00 O ATOM 1136 CB GLN A 71 16.746 7.036 -0.447 1.00 0.00 C ATOM 1137 CG GLN A 71 17.700 8.213 -0.340 1.00 0.00 C ATOM 1138 CD GLN A 71 17.379 9.316 -1.330 1.00 0.00 C ATOM 1139 OE1 GLN A 71 17.879 9.322 -2.454 1.00 0.00 O ATOM 1140 NE2 GLN A 71 16.540 10.258 -0.915 1.00 0.00 N ATOM 0 H GLN A 71 18.532 4.879 -0.489 1.00 0.00 H new ATOM 0 HA GLN A 71 16.951 6.319 1.559 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.792 6.632 -1.458 1.00 0.00 H new ATOM 0 HB3 GLN A 71 15.727 7.390 -0.291 1.00 0.00 H new ATOM 0 HG2 GLN A 71 17.662 8.616 0.672 1.00 0.00 H new ATOM 0 HG3 GLN A 71 18.720 7.866 -0.507 1.00 0.00 H new ATOM 0 HE21 GLN A 71 16.149 10.214 0.026 1.00 0.00 H new ATOM 0 HE22 GLN A 71 16.287 11.026 -1.537 1.00 0.00 H new ATOM 1149 N GLN A 72 15.148 4.635 1.355 1.00 0.00 N ATOM 1150 CA GLN A 72 14.253 3.486 1.407 1.00 0.00 C ATOM 1151 C GLN A 72 13.086 3.662 0.437 1.00 0.00 C ATOM 1152 O GLN A 72 11.927 3.722 0.850 1.00 0.00 O ATOM 1153 CB GLN A 72 13.723 3.291 2.831 1.00 0.00 C ATOM 1154 CG GLN A 72 14.814 3.255 3.891 1.00 0.00 C ATOM 1155 CD GLN A 72 15.373 4.629 4.210 1.00 0.00 C ATOM 1156 OE1 GLN A 72 14.535 5.654 4.096 1.00 0.00 O flip ATOM 1157 NE2 GLN A 72 16.546 4.768 4.559 1.00 0.00 N flip ATOM 0 H GLN A 72 15.024 5.300 2.118 1.00 0.00 H new ATOM 0 HA GLN A 72 14.818 2.602 1.112 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.029 4.098 3.064 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.156 2.361 2.874 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.414 2.811 4.802 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.623 2.609 3.550 1.00 0.00 H new ATOM 0 HE21 GLN A 72 17.156 3.954 4.634 1.00 0.00 H new ATOM 0 HE22 GLN A 72 16.908 5.697 4.773 1.00 0.00 H new ATOM 1166 N HIS A 73 13.397 3.755 -0.854 1.00 0.00 N ATOM 1167 CA HIS A 73 12.374 3.969 -1.870 1.00 0.00 C ATOM 1168 C HIS A 73 12.603 3.070 -3.083 1.00 0.00 C ATOM 1169 O HIS A 73 11.690 2.849 -3.878 1.00 0.00 O ATOM 1170 CB HIS A 73 12.348 5.438 -2.304 1.00 0.00 C ATOM 1171 CG HIS A 73 13.543 5.859 -3.100 1.00 0.00 C ATOM 1172 ND1 HIS A 73 14.837 5.741 -2.639 1.00 0.00 N ATOM 1173 CD2 HIS A 73 13.634 6.401 -4.338 1.00 0.00 C ATOM 1174 CE1 HIS A 73 15.673 6.195 -3.558 1.00 0.00 C ATOM 1175 NE2 HIS A 73 14.968 6.600 -4.598 1.00 0.00 N ATOM 0 H HIS A 73 14.347 3.686 -1.219 1.00 0.00 H new ATOM 0 HA HIS A 73 11.410 3.711 -1.431 1.00 0.00 H new ATOM 0 HB2 HIS A 73 11.450 5.616 -2.895 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.275 6.067 -1.417 1.00 0.00 H new ATOM 0 HD2 HIS A 73 12.811 6.633 -4.998 1.00 0.00 H new ATOM 0 HE1 HIS A 73 16.749 6.229 -3.472 1.00 0.00 H new ATOM 0 HE2 HIS A 73 15.352 6.997 -5.456 1.00 0.00 H new ATOM 1184 N ILE A 74 13.816 2.528 -3.211 1.00 0.00 N ATOM 1185 CA ILE A 74 14.078 1.513 -4.224 1.00 0.00 C ATOM 1186 C ILE A 74 14.136 0.133 -3.590 1.00 0.00 C ATOM 1187 O ILE A 74 15.125 -0.225 -2.951 1.00 0.00 O ATOM 1188 CB ILE A 74 15.394 1.769 -4.983 1.00 0.00 C ATOM 1189 CG1 ILE A 74 15.522 3.242 -5.371 1.00 0.00 C ATOM 1190 CG2 ILE A 74 15.461 0.890 -6.222 1.00 0.00 C ATOM 1191 CD1 ILE A 74 14.414 3.731 -6.281 1.00 0.00 C ATOM 0 H ILE A 74 14.620 2.773 -2.633 1.00 0.00 H new ATOM 0 HA ILE A 74 13.256 1.566 -4.938 1.00 0.00 H new ATOM 0 HB ILE A 74 16.225 1.518 -4.324 1.00 0.00 H new ATOM 0 HG12 ILE A 74 15.530 3.848 -4.465 1.00 0.00 H new ATOM 0 HG13 ILE A 74 16.481 3.396 -5.866 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.395 1.078 -6.752 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.416 -0.158 -5.927 1.00 0.00 H new ATOM 0 HG23 ILE A 74 14.620 1.119 -6.877 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.572 4.784 -6.513 1.00 0.00 H new ATOM 0 HD12 ILE A 74 14.419 3.151 -7.204 1.00 0.00 H new ATOM 0 HD13 ILE A 74 13.453 3.610 -5.781 1.00 0.00 H new ATOM 1203 N VAL A 75 13.050 -0.615 -3.718 1.00 0.00 N ATOM 1204 CA VAL A 75 12.839 -1.792 -2.890 1.00 0.00 C ATOM 1205 C VAL A 75 13.246 -3.065 -3.613 1.00 0.00 C ATOM 1206 O VAL A 75 12.457 -3.648 -4.356 1.00 0.00 O ATOM 1207 CB VAL A 75 11.372 -1.917 -2.458 1.00 0.00 C ATOM 1208 CG1 VAL A 75 11.260 -2.742 -1.185 1.00 0.00 C ATOM 1209 CG2 VAL A 75 10.755 -0.540 -2.280 1.00 0.00 C ATOM 0 H VAL A 75 12.303 -0.428 -4.386 1.00 0.00 H new ATOM 0 HA VAL A 75 13.467 -1.665 -2.008 1.00 0.00 H new ATOM 0 HB VAL A 75 10.818 -2.435 -3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.213 -2.820 -0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.663 -3.739 -1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.824 -2.258 -0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.714 -0.645 -1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.305 0.009 -1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.803 0.005 -3.223 1.00 0.00 H new ATOM 1219 N TYR A 76 14.475 -3.502 -3.368 1.00 0.00 N ATOM 1220 CA TYR A 76 14.950 -4.779 -3.881 1.00 0.00 C ATOM 1221 C TYR A 76 14.272 -5.934 -3.153 1.00 0.00 C ATOM 1222 O TYR A 76 14.765 -6.413 -2.132 1.00 0.00 O ATOM 1223 CB TYR A 76 16.468 -4.869 -3.731 1.00 0.00 C ATOM 1224 CG TYR A 76 17.180 -3.573 -4.053 1.00 0.00 C ATOM 1225 CD1 TYR A 76 16.766 -2.770 -5.111 1.00 0.00 C ATOM 1226 CD2 TYR A 76 18.266 -3.149 -3.297 1.00 0.00 C ATOM 1227 CE1 TYR A 76 17.414 -1.587 -5.404 1.00 0.00 C ATOM 1228 CE2 TYR A 76 18.919 -1.966 -3.585 1.00 0.00 C ATOM 1229 CZ TYR A 76 18.490 -1.189 -4.640 1.00 0.00 C ATOM 1230 OH TYR A 76 19.137 -0.011 -4.930 1.00 0.00 O ATOM 0 H TYR A 76 15.162 -2.989 -2.816 1.00 0.00 H new ATOM 0 HA TYR A 76 14.697 -4.848 -4.939 1.00 0.00 H new ATOM 0 HB2 TYR A 76 16.708 -5.163 -2.709 1.00 0.00 H new ATOM 0 HB3 TYR A 76 16.845 -5.655 -4.386 1.00 0.00 H new ATOM 0 HD1 TYR A 76 15.924 -3.077 -5.713 1.00 0.00 H new ATOM 0 HD2 TYR A 76 18.606 -3.755 -2.470 1.00 0.00 H new ATOM 0 HE1 TYR A 76 17.079 -0.975 -6.229 1.00 0.00 H new ATOM 0 HE2 TYR A 76 19.761 -1.651 -2.987 1.00 0.00 H new ATOM 0 HH TYR A 76 18.478 0.673 -5.173 1.00 0.00 H new ATOM 1240 N CYS A 77 13.118 -6.350 -3.665 1.00 0.00 N ATOM 1241 CA CYS A 77 12.256 -7.286 -2.950 1.00 0.00 C ATOM 1242 C CYS A 77 12.408 -8.703 -3.500 1.00 0.00 C ATOM 1243 O CYS A 77 11.419 -9.376 -3.788 1.00 0.00 O ATOM 1244 CB CYS A 77 10.794 -6.838 -3.043 1.00 0.00 C ATOM 1245 SG CYS A 77 10.139 -6.802 -4.728 1.00 0.00 S ATOM 0 H CYS A 77 12.758 -6.054 -4.572 1.00 0.00 H new ATOM 0 HA CYS A 77 12.560 -7.293 -1.903 1.00 0.00 H new ATOM 0 HB2 CYS A 77 10.181 -7.508 -2.440 1.00 0.00 H new ATOM 0 HB3 CYS A 77 10.702 -5.843 -2.607 1.00 0.00 H new ATOM 0 HG CYS A 77 10.976 -7.388 -5.532 1.00 0.00 H new ATOM 1251 N SER A 78 13.654 -9.152 -3.628 1.00 0.00 N ATOM 1252 CA SER A 78 13.931 -10.520 -4.049 1.00 0.00 C ATOM 1253 C SER A 78 13.470 -11.513 -2.989 1.00 0.00 C ATOM 1254 O SER A 78 13.856 -11.415 -1.824 1.00 0.00 O ATOM 1255 CB SER A 78 15.427 -10.701 -4.319 1.00 0.00 C ATOM 1256 OG SER A 78 16.192 -10.428 -3.159 1.00 0.00 O ATOM 0 H SER A 78 14.485 -8.589 -3.446 1.00 0.00 H new ATOM 0 HA SER A 78 13.379 -10.712 -4.969 1.00 0.00 H new ATOM 0 HB2 SER A 78 15.618 -11.721 -4.653 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.737 -10.038 -5.127 1.00 0.00 H new ATOM 0 HG SER A 78 15.698 -10.721 -2.365 1.00 0.00 H new ATOM 1262 N ASN A 79 12.627 -12.459 -3.396 1.00 0.00 N ATOM 1263 CA ASN A 79 12.024 -13.404 -2.460 1.00 0.00 C ATOM 1264 C ASN A 79 11.273 -12.662 -1.359 1.00 0.00 C ATOM 1265 O ASN A 79 11.656 -12.704 -0.190 1.00 0.00 O ATOM 1266 CB ASN A 79 13.096 -14.311 -1.850 1.00 0.00 C ATOM 1267 CG ASN A 79 12.511 -15.372 -0.935 1.00 0.00 C ATOM 1268 OD1 ASN A 79 11.303 -15.826 -1.249 1.00 0.00 O flip ATOM 1269 ND2 ASN A 79 13.140 -15.780 0.041 1.00 0.00 N flip ATOM 0 H ASN A 79 12.346 -12.591 -4.368 1.00 0.00 H new ATOM 0 HA ASN A 79 11.314 -14.023 -3.008 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.656 -14.795 -2.650 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.805 -13.703 -1.288 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.066 -15.403 0.245 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.736 -16.495 0.646 1.00 0.00 H new ATOM 1276 N ASP A 80 10.212 -11.962 -1.750 1.00 0.00 N ATOM 1277 CA ASP A 80 9.475 -11.106 -0.826 1.00 0.00 C ATOM 1278 C ASP A 80 7.969 -11.311 -0.981 1.00 0.00 C ATOM 1279 O ASP A 80 7.495 -11.733 -2.037 1.00 0.00 O ATOM 1280 CB ASP A 80 9.828 -9.640 -1.076 1.00 0.00 C ATOM 1281 CG ASP A 80 9.361 -8.737 0.046 1.00 0.00 C ATOM 1282 OD1 ASP A 80 9.493 -9.137 1.221 1.00 0.00 O ATOM 1283 OD2 ASP A 80 8.865 -7.629 -0.250 1.00 0.00 O ATOM 0 H ASP A 80 9.843 -11.971 -2.701 1.00 0.00 H new ATOM 0 HA ASP A 80 9.758 -11.376 0.191 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.907 -9.543 -1.192 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.376 -9.315 -2.013 1.00 0.00 H new ATOM 1288 N LEU A 81 7.218 -10.991 0.068 1.00 0.00 N ATOM 1289 CA LEU A 81 5.763 -11.026 -0.006 1.00 0.00 C ATOM 1290 C LEU A 81 5.263 -10.009 -1.026 1.00 0.00 C ATOM 1291 O LEU A 81 4.379 -10.301 -1.834 1.00 0.00 O ATOM 1292 CB LEU A 81 5.144 -10.746 1.366 1.00 0.00 C ATOM 1293 CG LEU A 81 3.874 -11.542 1.685 1.00 0.00 C ATOM 1294 CD1 LEU A 81 2.805 -11.306 0.628 1.00 0.00 C ATOM 1295 CD2 LEU A 81 4.190 -13.026 1.805 1.00 0.00 C ATOM 0 H LEU A 81 7.591 -10.706 0.974 1.00 0.00 H new ATOM 0 HA LEU A 81 5.459 -12.024 -0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.889 -10.959 2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.913 -9.683 1.432 1.00 0.00 H new ATOM 0 HG LEU A 81 3.486 -11.193 2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.914 -11.882 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.554 -10.246 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.180 -11.621 -0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.276 -13.575 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.606 -13.387 0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.914 -13.180 2.605 1.00 0.00 H new ATOM 1307 N LEU A 82 5.867 -8.824 -1.011 1.00 0.00 N ATOM 1308 CA LEU A 82 5.633 -7.839 -2.056 1.00 0.00 C ATOM 1309 C LEU A 82 5.951 -8.441 -3.421 1.00 0.00 C ATOM 1310 O LEU A 82 5.447 -7.990 -4.448 1.00 0.00 O ATOM 1311 CB LEU A 82 6.488 -6.592 -1.823 1.00 0.00 C ATOM 1312 CG LEU A 82 5.796 -5.257 -2.121 1.00 0.00 C ATOM 1313 CD1 LEU A 82 5.482 -5.135 -3.606 1.00 0.00 C ATOM 1314 CD2 LEU A 82 4.529 -5.109 -1.292 1.00 0.00 C ATOM 0 H LEU A 82 6.521 -8.525 -0.287 1.00 0.00 H new ATOM 0 HA LEU A 82 4.583 -7.549 -2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.818 -6.587 -0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.383 -6.664 -2.441 1.00 0.00 H new ATOM 0 HG LEU A 82 6.478 -4.452 -1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.991 -4.181 -3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.408 -5.188 -4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.822 -5.949 -3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.055 -4.154 -1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.842 -5.921 -1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.781 -5.145 -0.232 1.00 0.00 H new ATOM 1326 N GLY A 83 6.781 -9.481 -3.414 1.00 0.00 N ATOM 1327 CA GLY A 83 7.046 -10.229 -4.627 1.00 0.00 C ATOM 1328 C GLY A 83 5.830 -11.000 -5.104 1.00 0.00 C ATOM 1329 O GLY A 83 5.547 -11.042 -6.301 1.00 0.00 O ATOM 0 H GLY A 83 7.275 -9.818 -2.587 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.370 -9.544 -5.411 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.868 -10.923 -4.451 1.00 0.00 H new ATOM 1333 N ASP A 84 5.094 -11.588 -4.161 1.00 0.00 N ATOM 1334 CA ASP A 84 3.818 -12.224 -4.482 1.00 0.00 C ATOM 1335 C ASP A 84 2.900 -11.248 -5.210 1.00 0.00 C ATOM 1336 O ASP A 84 2.047 -11.655 -5.999 1.00 0.00 O ATOM 1337 CB ASP A 84 3.130 -12.745 -3.216 1.00 0.00 C ATOM 1338 CG ASP A 84 3.966 -13.779 -2.488 1.00 0.00 C ATOM 1339 OD1 ASP A 84 4.775 -13.387 -1.621 1.00 0.00 O ATOM 1340 OD2 ASP A 84 3.809 -14.983 -2.783 1.00 0.00 O ATOM 0 H ASP A 84 5.357 -11.637 -3.177 1.00 0.00 H new ATOM 0 HA ASP A 84 4.023 -13.071 -5.137 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.926 -11.909 -2.546 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.168 -13.182 -3.482 1.00 0.00 H new ATOM 1345 N LEU A 85 3.101 -9.956 -4.962 1.00 0.00 N ATOM 1346 CA LEU A 85 2.410 -8.917 -5.720 1.00 0.00 C ATOM 1347 C LEU A 85 2.947 -8.835 -7.141 1.00 0.00 C ATOM 1348 O LEU A 85 2.358 -9.380 -8.075 1.00 0.00 O ATOM 1349 CB LEU A 85 2.576 -7.551 -5.050 1.00 0.00 C ATOM 1350 CG LEU A 85 1.804 -7.332 -3.745 1.00 0.00 C ATOM 1351 CD1 LEU A 85 0.932 -6.094 -3.864 1.00 0.00 C ATOM 1352 CD2 LEU A 85 0.959 -8.545 -3.379 1.00 0.00 C ATOM 0 H LEU A 85 3.735 -9.605 -4.244 1.00 0.00 H new ATOM 0 HA LEU A 85 1.353 -9.182 -5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.636 -7.396 -4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.270 -6.783 -5.760 1.00 0.00 H new ATOM 0 HG LEU A 85 2.529 -7.188 -2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.385 -5.943 -2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.559 -5.225 -4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.225 -6.224 -4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.427 -8.350 -2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.239 -8.740 -4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.605 -9.414 -3.253 1.00 0.00 H new ATOM 1364 N PHE A 86 4.049 -8.111 -7.298 1.00 0.00 N ATOM 1365 CA PHE A 86 4.535 -7.735 -8.620 1.00 0.00 C ATOM 1366 C PHE A 86 5.610 -8.702 -9.105 1.00 0.00 C ATOM 1367 O PHE A 86 5.600 -9.131 -10.259 1.00 0.00 O ATOM 1368 CB PHE A 86 5.090 -6.306 -8.600 1.00 0.00 C ATOM 1369 CG PHE A 86 4.121 -5.272 -8.088 1.00 0.00 C ATOM 1370 CD1 PHE A 86 2.768 -5.559 -7.966 1.00 0.00 C ATOM 1371 CD2 PHE A 86 4.566 -4.008 -7.729 1.00 0.00 C ATOM 1372 CE1 PHE A 86 1.884 -4.611 -7.493 1.00 0.00 C ATOM 1373 CE2 PHE A 86 3.682 -3.055 -7.256 1.00 0.00 C ATOM 1374 CZ PHE A 86 2.341 -3.358 -7.139 1.00 0.00 C ATOM 0 H PHE A 86 4.623 -7.773 -6.526 1.00 0.00 H new ATOM 0 HA PHE A 86 3.693 -7.781 -9.311 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.986 -6.285 -7.980 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.395 -6.033 -9.610 1.00 0.00 H new ATOM 0 HD1 PHE A 86 2.403 -6.536 -8.245 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.614 -3.765 -7.820 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.835 -4.850 -7.400 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.041 -2.075 -6.979 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.649 -2.615 -6.771 1.00 0.00 H new ATOM 1384 N GLY A 87 6.543 -9.033 -8.217 1.00 0.00 N ATOM 1385 CA GLY A 87 7.647 -9.898 -8.589 1.00 0.00 C ATOM 1386 C GLY A 87 8.851 -9.119 -9.079 1.00 0.00 C ATOM 1387 O GLY A 87 9.837 -9.704 -9.529 1.00 0.00 O ATOM 0 H GLY A 87 6.554 -8.717 -7.247 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.935 -10.505 -7.730 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.320 -10.585 -9.369 1.00 0.00 H new ATOM 1391 N VAL A 88 8.769 -7.794 -8.993 1.00 0.00 N ATOM 1392 CA VAL A 88 9.853 -6.927 -9.439 1.00 0.00 C ATOM 1393 C VAL A 88 11.159 -7.267 -8.730 1.00 0.00 C ATOM 1394 O VAL A 88 11.153 -7.823 -7.632 1.00 0.00 O ATOM 1395 CB VAL A 88 9.535 -5.442 -9.178 1.00 0.00 C ATOM 1396 CG1 VAL A 88 8.296 -5.013 -9.942 1.00 0.00 C ATOM 1397 CG2 VAL A 88 9.367 -5.187 -7.688 1.00 0.00 C ATOM 0 H VAL A 88 7.961 -7.298 -8.618 1.00 0.00 H new ATOM 0 HA VAL A 88 9.959 -7.093 -10.511 1.00 0.00 H new ATOM 0 HB VAL A 88 10.374 -4.844 -9.535 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.091 -3.961 -9.742 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.460 -5.154 -11.010 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.445 -5.615 -9.623 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.143 -4.133 -7.522 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.549 -5.797 -7.304 1.00 0.00 H new ATOM 0 HG23 VAL A 88 10.289 -5.448 -7.168 1.00 0.00 H new ATOM 1407 N PRO A 89 12.299 -6.873 -9.323 1.00 0.00 N ATOM 1408 CA PRO A 89 13.565 -6.785 -8.598 1.00 0.00 C ATOM 1409 C PRO A 89 13.583 -5.598 -7.642 1.00 0.00 C ATOM 1410 O PRO A 89 14.067 -5.702 -6.516 1.00 0.00 O ATOM 1411 CB PRO A 89 14.596 -6.595 -9.711 1.00 0.00 C ATOM 1412 CG PRO A 89 13.844 -5.919 -10.805 1.00 0.00 C ATOM 1413 CD PRO A 89 12.432 -6.434 -10.726 1.00 0.00 C ATOM 0 HA PRO A 89 13.752 -7.661 -7.977 1.00 0.00 H new ATOM 0 HB2 PRO A 89 15.437 -5.989 -9.374 1.00 0.00 H new ATOM 0 HB3 PRO A 89 15.004 -7.550 -10.041 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.870 -4.836 -10.684 1.00 0.00 H new ATOM 0 HG3 PRO A 89 14.286 -6.142 -11.776 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.708 -5.658 -10.973 1.00 0.00 H new ATOM 0 HD3 PRO A 89 12.266 -7.257 -11.421 1.00 0.00 H new ATOM 1421 N SER A 90 13.033 -4.475 -8.097 1.00 0.00 N ATOM 1422 CA SER A 90 12.925 -3.277 -7.271 1.00 0.00 C ATOM 1423 C SER A 90 11.683 -2.474 -7.644 1.00 0.00 C ATOM 1424 O SER A 90 11.343 -2.360 -8.822 1.00 0.00 O ATOM 1425 CB SER A 90 14.171 -2.407 -7.428 1.00 0.00 C ATOM 1426 OG SER A 90 14.397 -2.079 -8.789 1.00 0.00 O ATOM 0 H SER A 90 12.654 -4.370 -9.038 1.00 0.00 H new ATOM 0 HA SER A 90 12.839 -3.590 -6.230 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.056 -1.493 -6.845 1.00 0.00 H new ATOM 0 HB3 SER A 90 15.038 -2.933 -7.029 1.00 0.00 H new ATOM 0 HG SER A 90 15.199 -1.520 -8.862 1.00 0.00 H new ATOM 1432 N PHE A 91 11.011 -1.906 -6.643 1.00 0.00 N ATOM 1433 CA PHE A 91 9.854 -1.054 -6.901 1.00 0.00 C ATOM 1434 C PHE A 91 9.948 0.257 -6.130 1.00 0.00 C ATOM 1435 O PHE A 91 10.716 0.376 -5.176 1.00 0.00 O ATOM 1436 CB PHE A 91 8.552 -1.784 -6.555 1.00 0.00 C ATOM 1437 CG PHE A 91 8.417 -2.177 -5.111 1.00 0.00 C ATOM 1438 CD1 PHE A 91 8.875 -3.407 -4.670 1.00 0.00 C ATOM 1439 CD2 PHE A 91 7.815 -1.325 -4.195 1.00 0.00 C ATOM 1440 CE1 PHE A 91 8.740 -3.778 -3.348 1.00 0.00 C ATOM 1441 CE2 PHE A 91 7.675 -1.692 -2.875 1.00 0.00 C ATOM 1442 CZ PHE A 91 8.139 -2.921 -2.451 1.00 0.00 C ATOM 0 H PHE A 91 11.245 -2.019 -5.657 1.00 0.00 H new ATOM 0 HA PHE A 91 9.849 -0.820 -7.966 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.711 -1.145 -6.824 1.00 0.00 H new ATOM 0 HB3 PHE A 91 8.480 -2.681 -7.170 1.00 0.00 H new ATOM 0 HD1 PHE A 91 9.343 -4.084 -5.369 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.452 -0.362 -4.522 1.00 0.00 H new ATOM 0 HE1 PHE A 91 9.105 -4.739 -3.016 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.203 -1.020 -2.173 1.00 0.00 H new ATOM 0 HZ PHE A 91 8.031 -3.211 -1.416 1.00 0.00 H new ATOM 1452 N SER A 92 9.181 1.250 -6.572 1.00 0.00 N ATOM 1453 CA SER A 92 9.277 2.596 -6.019 1.00 0.00 C ATOM 1454 C SER A 92 8.121 2.883 -5.066 1.00 0.00 C ATOM 1455 O SER A 92 7.005 3.169 -5.495 1.00 0.00 O ATOM 1456 CB SER A 92 9.288 3.631 -7.146 1.00 0.00 C ATOM 1457 OG SER A 92 9.409 4.946 -6.631 1.00 0.00 O ATOM 0 H SER A 92 8.486 1.147 -7.312 1.00 0.00 H new ATOM 0 HA SER A 92 10.209 2.663 -5.458 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.116 3.425 -7.824 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.370 3.548 -7.729 1.00 0.00 H new ATOM 0 HG SER A 92 9.415 5.588 -7.371 1.00 0.00 H new ATOM 1463 N VAL A 93 8.406 2.830 -3.771 1.00 0.00 N ATOM 1464 CA VAL A 93 7.436 3.231 -2.758 1.00 0.00 C ATOM 1465 C VAL A 93 7.388 4.747 -2.615 1.00 0.00 C ATOM 1466 O VAL A 93 6.632 5.279 -1.802 1.00 0.00 O ATOM 1467 CB VAL A 93 7.759 2.611 -1.386 1.00 0.00 C ATOM 1468 CG1 VAL A 93 7.051 1.277 -1.221 1.00 0.00 C ATOM 1469 CG2 VAL A 93 9.260 2.457 -1.204 1.00 0.00 C ATOM 0 H VAL A 93 9.300 2.513 -3.397 1.00 0.00 H new ATOM 0 HA VAL A 93 6.465 2.865 -3.092 1.00 0.00 H new ATOM 0 HB VAL A 93 7.394 3.285 -0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.292 0.855 -0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.974 1.425 -1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.378 0.592 -2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.465 2.017 -0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.657 1.808 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.737 3.435 -1.268 1.00 0.00 H new ATOM 1479 N LYS A 94 8.205 5.437 -3.406 1.00 0.00 N ATOM 1480 CA LYS A 94 8.271 6.892 -3.352 1.00 0.00 C ATOM 1481 C LYS A 94 7.161 7.519 -4.191 1.00 0.00 C ATOM 1482 O LYS A 94 6.678 8.608 -3.884 1.00 0.00 O ATOM 1483 CB LYS A 94 9.635 7.379 -3.845 1.00 0.00 C ATOM 1484 CG LYS A 94 9.796 8.891 -3.803 1.00 0.00 C ATOM 1485 CD LYS A 94 11.165 9.319 -4.302 1.00 0.00 C ATOM 1486 CE LYS A 94 11.327 10.831 -4.260 1.00 0.00 C ATOM 1487 NZ LYS A 94 11.183 11.368 -2.878 1.00 0.00 N ATOM 0 H LYS A 94 8.830 5.011 -4.091 1.00 0.00 H new ATOM 0 HA LYS A 94 8.135 7.199 -2.315 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.416 6.922 -3.237 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.786 7.035 -4.868 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.023 9.357 -4.414 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.653 9.245 -2.782 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.938 8.852 -3.692 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.308 8.965 -5.323 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.306 11.102 -4.654 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.583 11.294 -4.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.529 12.348 -2.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.181 11.346 -2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.738 10.785 -2.219 1.00 0.00 H new ATOM 1501 N GLU A 95 6.762 6.824 -5.252 1.00 0.00 N ATOM 1502 CA GLU A 95 5.730 7.327 -6.151 1.00 0.00 C ATOM 1503 C GLU A 95 4.344 7.183 -5.527 1.00 0.00 C ATOM 1504 O GLU A 95 3.531 8.103 -5.596 1.00 0.00 O ATOM 1505 CB GLU A 95 5.787 6.590 -7.492 1.00 0.00 C ATOM 1506 CG GLU A 95 5.723 5.076 -7.359 1.00 0.00 C ATOM 1507 CD GLU A 95 5.921 4.365 -8.683 1.00 0.00 C ATOM 1508 OE1 GLU A 95 6.771 4.816 -9.479 1.00 0.00 O ATOM 1509 OE2 GLU A 95 5.231 3.352 -8.922 1.00 0.00 O ATOM 0 H GLU A 95 7.138 5.911 -5.510 1.00 0.00 H new ATOM 0 HA GLU A 95 5.917 8.387 -6.323 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.960 6.927 -8.117 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.708 6.862 -8.008 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.486 4.744 -6.655 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.758 4.792 -6.939 1.00 0.00 H new ATOM 1516 N HIS A 96 4.096 6.028 -4.907 1.00 0.00 N ATOM 1517 CA HIS A 96 2.849 5.780 -4.182 1.00 0.00 C ATOM 1518 C HIS A 96 1.667 5.618 -5.134 1.00 0.00 C ATOM 1519 O HIS A 96 1.096 4.533 -5.240 1.00 0.00 O ATOM 1520 CB HIS A 96 2.566 6.906 -3.184 1.00 0.00 C ATOM 1521 CG HIS A 96 3.564 6.988 -2.070 1.00 0.00 C ATOM 1522 ND1 HIS A 96 4.493 8.001 -1.965 1.00 0.00 N ATOM 1523 CD2 HIS A 96 3.768 6.179 -1.003 1.00 0.00 C ATOM 1524 CE1 HIS A 96 5.226 7.812 -0.881 1.00 0.00 C ATOM 1525 NE2 HIS A 96 4.806 6.714 -0.280 1.00 0.00 N ATOM 0 H HIS A 96 4.748 5.244 -4.893 1.00 0.00 H new ATOM 0 HA HIS A 96 2.974 4.845 -3.635 1.00 0.00 H new ATOM 0 HB2 HIS A 96 2.551 7.857 -3.717 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.572 6.762 -2.760 1.00 0.00 H new ATOM 0 HD2 HIS A 96 3.217 5.281 -0.765 1.00 0.00 H new ATOM 0 HE1 HIS A 96 6.031 8.448 -0.544 1.00 0.00 H new ATOM 0 HE2 HIS A 96 5.190 6.326 0.582 1.00 0.00 H new ATOM 1534 N ARG A 97 1.296 6.701 -5.812 1.00 0.00 N ATOM 1535 CA ARG A 97 0.162 6.681 -6.731 1.00 0.00 C ATOM 1536 C ARG A 97 0.221 5.468 -7.653 1.00 0.00 C ATOM 1537 O ARG A 97 -0.748 4.718 -7.771 1.00 0.00 O ATOM 1538 CB ARG A 97 0.133 7.965 -7.563 1.00 0.00 C ATOM 1539 CG ARG A 97 -1.047 8.045 -8.519 1.00 0.00 C ATOM 1540 CD ARG A 97 -1.022 9.333 -9.327 1.00 0.00 C ATOM 1541 NE ARG A 97 -2.144 9.418 -10.257 1.00 0.00 N ATOM 1542 CZ ARG A 97 -2.347 10.443 -11.078 1.00 0.00 C ATOM 1543 NH1 ARG A 97 -1.505 11.468 -11.085 1.00 0.00 N ATOM 1544 NH2 ARG A 97 -3.391 10.445 -11.894 1.00 0.00 N ATOM 0 H ARG A 97 1.765 7.604 -5.742 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.750 6.615 -6.137 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.104 8.823 -6.891 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.058 8.039 -8.134 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -1.028 7.190 -9.195 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.978 7.986 -7.955 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -1.048 10.186 -8.649 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -0.086 9.395 -9.882 1.00 0.00 H new ATOM 0 HE ARG A 97 -2.811 8.646 -10.278 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.699 11.471 -10.459 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -1.663 12.254 -11.716 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -4.041 9.659 -11.893 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -3.545 11.233 -12.523 1.00 0.00 H new ATOM 1558 N LYS A 98 1.360 5.286 -8.310 1.00 0.00 N ATOM 1559 CA LYS A 98 1.517 4.207 -9.275 1.00 0.00 C ATOM 1560 C LYS A 98 1.730 2.869 -8.577 1.00 0.00 C ATOM 1561 O LYS A 98 1.219 1.843 -9.021 1.00 0.00 O ATOM 1562 CB LYS A 98 2.684 4.502 -10.220 1.00 0.00 C ATOM 1563 CG LYS A 98 2.453 5.714 -11.108 1.00 0.00 C ATOM 1564 CD LYS A 98 3.615 5.945 -12.062 1.00 0.00 C ATOM 1565 CE LYS A 98 4.878 6.354 -11.319 1.00 0.00 C ATOM 1566 NZ LYS A 98 4.686 7.613 -10.547 1.00 0.00 N ATOM 0 H LYS A 98 2.187 5.871 -8.192 1.00 0.00 H new ATOM 0 HA LYS A 98 0.598 4.142 -9.857 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.587 4.660 -9.631 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.862 3.629 -10.849 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.535 5.576 -11.680 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.312 6.598 -10.487 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.806 5.035 -12.631 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.348 6.720 -12.780 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.175 5.554 -10.641 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.692 6.486 -12.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.583 7.884 -10.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.378 8.371 -11.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.962 7.464 -9.815 1.00 0.00 H new ATOM 1580 N ILE A 99 2.494 2.886 -7.491 1.00 0.00 N ATOM 1581 CA ILE A 99 2.865 1.655 -6.799 1.00 0.00 C ATOM 1582 C ILE A 99 1.636 0.968 -6.201 1.00 0.00 C ATOM 1583 O ILE A 99 1.547 -0.262 -6.186 1.00 0.00 O ATOM 1584 CB ILE A 99 3.935 1.929 -5.706 1.00 0.00 C ATOM 1585 CG1 ILE A 99 5.073 0.908 -5.817 1.00 0.00 C ATOM 1586 CG2 ILE A 99 3.341 1.905 -4.305 1.00 0.00 C ATOM 1587 CD1 ILE A 99 4.725 -0.456 -5.266 1.00 0.00 C ATOM 0 H ILE A 99 2.869 3.736 -7.070 1.00 0.00 H new ATOM 0 HA ILE A 99 3.302 0.979 -7.534 1.00 0.00 H new ATOM 0 HB ILE A 99 4.328 2.931 -5.875 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.355 0.805 -6.865 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.945 1.291 -5.288 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.125 2.101 -3.574 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.569 2.671 -4.224 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.902 0.926 -4.112 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.579 -1.123 -5.380 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.472 -0.368 -4.209 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.873 -0.862 -5.811 1.00 0.00 H new ATOM 1599 N TYR A 100 0.682 1.764 -5.734 1.00 0.00 N ATOM 1600 CA TYR A 100 -0.520 1.223 -5.113 1.00 0.00 C ATOM 1601 C TYR A 100 -1.584 0.888 -6.154 1.00 0.00 C ATOM 1602 O TYR A 100 -2.321 -0.088 -6.006 1.00 0.00 O ATOM 1603 CB TYR A 100 -1.079 2.211 -4.088 1.00 0.00 C ATOM 1604 CG TYR A 100 -0.421 2.091 -2.733 1.00 0.00 C ATOM 1605 CD1 TYR A 100 0.746 1.355 -2.574 1.00 0.00 C ATOM 1606 CD2 TYR A 100 -0.967 2.703 -1.613 1.00 0.00 C ATOM 1607 CE1 TYR A 100 1.349 1.233 -1.342 1.00 0.00 C ATOM 1608 CE2 TYR A 100 -0.368 2.587 -0.374 1.00 0.00 C ATOM 1609 CZ TYR A 100 0.791 1.850 -0.244 1.00 0.00 C ATOM 1610 OH TYR A 100 1.391 1.730 0.988 1.00 0.00 O ATOM 0 H TYR A 100 0.717 2.783 -5.773 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.244 0.299 -4.605 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.947 3.227 -4.461 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -2.151 2.047 -3.981 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.188 0.870 -3.432 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.875 3.279 -1.712 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.256 0.656 -1.237 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.804 3.070 0.488 1.00 0.00 H new ATOM 0 HH TYR A 100 0.993 2.374 1.610 1.00 0.00 H new ATOM 1620 N THR A 101 -1.668 1.702 -7.202 1.00 0.00 N ATOM 1621 CA THR A 101 -2.675 1.498 -8.236 1.00 0.00 C ATOM 1622 C THR A 101 -2.418 0.207 -9.006 1.00 0.00 C ATOM 1623 O THR A 101 -3.338 -0.375 -9.579 1.00 0.00 O ATOM 1624 CB THR A 101 -2.725 2.677 -9.227 1.00 0.00 C ATOM 1625 OG1 THR A 101 -3.852 2.533 -10.101 1.00 0.00 O ATOM 1626 CG2 THR A 101 -1.450 2.745 -10.051 1.00 0.00 C ATOM 0 H THR A 101 -1.056 2.503 -7.357 1.00 0.00 H new ATOM 0 HA THR A 101 -3.636 1.430 -7.726 1.00 0.00 H new ATOM 0 HB THR A 101 -2.821 3.600 -8.655 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.879 3.286 -10.727 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.509 3.585 -10.743 1.00 0.00 H new ATOM 0 HG22 THR A 101 -0.595 2.880 -9.388 1.00 0.00 H new ATOM 0 HG23 THR A 101 -1.330 1.819 -10.613 1.00 0.00 H new ATOM 1634 N MET A 102 -1.166 -0.246 -9.005 1.00 0.00 N ATOM 1635 CA MET A 102 -0.821 -1.511 -9.642 1.00 0.00 C ATOM 1636 C MET A 102 -0.833 -2.657 -8.632 1.00 0.00 C ATOM 1637 O MET A 102 -1.008 -3.816 -9.008 1.00 0.00 O ATOM 1638 CB MET A 102 0.545 -1.424 -10.328 1.00 0.00 C ATOM 1639 CG MET A 102 1.677 -1.015 -9.403 1.00 0.00 C ATOM 1640 SD MET A 102 3.289 -1.074 -10.211 1.00 0.00 S ATOM 1641 CE MET A 102 4.323 -0.325 -8.957 1.00 0.00 C ATOM 0 H MET A 102 -0.381 0.241 -8.573 1.00 0.00 H new ATOM 0 HA MET A 102 -1.577 -1.715 -10.401 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.781 -2.393 -10.768 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.483 -0.708 -11.148 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.495 -0.005 -9.037 1.00 0.00 H new ATOM 0 HG3 MET A 102 1.686 -1.672 -8.534 1.00 0.00 H new ATOM 0 HE1 MET A 102 5.279 -0.846 -8.915 1.00 0.00 H new ATOM 0 HE2 MET A 102 4.492 0.723 -9.203 1.00 0.00 H new ATOM 0 HE3 MET A 102 3.829 -0.395 -7.988 1.00 0.00 H new ATOM 1651 N ILE A 103 -0.703 -2.329 -7.345 1.00 0.00 N ATOM 1652 CA ILE A 103 -1.020 -3.290 -6.290 1.00 0.00 C ATOM 1653 C ILE A 103 -2.419 -3.870 -6.487 1.00 0.00 C ATOM 1654 O ILE A 103 -2.622 -5.079 -6.369 1.00 0.00 O ATOM 1655 CB ILE A 103 -0.924 -2.658 -4.884 1.00 0.00 C ATOM 1656 CG1 ILE A 103 0.542 -2.522 -4.463 1.00 0.00 C ATOM 1657 CG2 ILE A 103 -1.698 -3.490 -3.865 1.00 0.00 C ATOM 1658 CD1 ILE A 103 0.729 -1.963 -3.069 1.00 0.00 C ATOM 0 H ILE A 103 -0.385 -1.419 -7.012 1.00 0.00 H new ATOM 0 HA ILE A 103 -0.280 -4.088 -6.359 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.370 -1.664 -4.921 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.018 -3.501 -4.519 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.056 -1.876 -5.175 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -1.618 -3.028 -2.881 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -2.747 -3.540 -4.158 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.283 -4.497 -3.827 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.793 -1.897 -2.843 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.283 -0.970 -3.012 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.245 -2.619 -2.346 1.00 0.00 H new ATOM 1670 N TYR A 104 -3.380 -3.002 -6.790 1.00 0.00 N ATOM 1671 CA TYR A 104 -4.758 -3.433 -7.006 1.00 0.00 C ATOM 1672 C TYR A 104 -5.065 -3.561 -8.495 1.00 0.00 C ATOM 1673 O TYR A 104 -4.937 -2.598 -9.252 1.00 0.00 O ATOM 1674 CB TYR A 104 -5.730 -2.451 -6.354 1.00 0.00 C ATOM 1675 CG TYR A 104 -5.663 -2.446 -4.842 1.00 0.00 C ATOM 1676 CD1 TYR A 104 -4.716 -1.679 -4.172 1.00 0.00 C ATOM 1677 CD2 TYR A 104 -6.544 -3.209 -4.088 1.00 0.00 C ATOM 1678 CE1 TYR A 104 -4.652 -1.675 -2.792 1.00 0.00 C ATOM 1679 CE2 TYR A 104 -6.485 -3.210 -2.707 1.00 0.00 C ATOM 1680 CZ TYR A 104 -5.536 -2.442 -2.065 1.00 0.00 C ATOM 1681 OH TYR A 104 -5.474 -2.440 -0.689 1.00 0.00 O ATOM 0 H TYR A 104 -3.231 -1.998 -6.891 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.880 -4.413 -6.545 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.520 -1.447 -6.722 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -6.745 -2.698 -6.664 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -4.021 -1.078 -4.739 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -7.288 -3.812 -4.588 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -3.912 -1.073 -2.285 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -7.178 -3.809 -2.134 1.00 0.00 H new ATOM 0 HH TYR A 104 -5.886 -1.621 -0.344 1.00 0.00 H new