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 120:sc= -0.552 USER MOD Single : A 31 LYS NZ :NH3+ -165:sc= -0.0483 (180deg=-0.327) USER MOD Single : A 36 LYS NZ :NH3+ 166:sc= -0.0228 (180deg=-0.289) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.311 K(o=-0.31,f=-0.96) USER MOD Single : A 45 LYS NZ :NH3+ -134:sc= -0.0711 (180deg=-1.9!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 83:sc= -6.15! USER MOD Single : A 49 THR OG1 : rot -170:sc= -1.4! USER MOD Single : A 50 MET CE :methyl 150:sc= -0.407 (180deg=-1.82!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.987 USER MOD Single : A 59 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.4) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.703 USER MOD Single : A 62 MET CE :methyl -143:sc= -0.125 (180deg=-0.664) USER MOD Single : A 63 THR OG1 : rot 26:sc= -1.06! USER MOD Single : A 64 LYS NZ :NH3+ 156:sc= -0.15 (180deg=-0.775) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -164:sc= -0.0369 (180deg=-0.278) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -1.38! K(o=-1.4!,f=-0.0047) USER MOD Single : A 73 HIS : no HD1:sc= -4! C(o=-4!,f=-9.6!) USER MOD Single : A 76 TYR OH : rot 159:sc= 1.14 USER MOD Single : A 77 CYS SG : rot -1:sc= -1.24 USER MOD Single : A 78 SER OG : rot -19:sc= 0.279 USER MOD Single : A 79 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.33) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc=-0.000495 USER MOD Single : A 94 LYS NZ :NH3+ 169:sc= -0.0418 (180deg=-0.244) USER MOD Single : A 96 HIS : no HD1:sc= -0.291 X(o=-0.29,f=-0.63) USER MOD Single : A 98 LYS NZ :NH3+ 136:sc= -1.95 (180deg=-2.69) USER MOD Single : A 100 TYR OH : rot 80:sc= -2.72! USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 138:sc= -8.42! (180deg=-12.7!) USER MOD Single : A 104 TYR OH : rot 150:sc= -0.717 USER MOD ----------------------------------------------------------------- ATOM 347 N THR A 26 -10.847 2.730 -0.550 1.00 0.00 N ATOM 348 CA THR A 26 -11.242 1.337 -0.737 1.00 0.00 C ATOM 349 C THR A 26 -11.935 0.792 0.503 1.00 0.00 C ATOM 350 O THR A 26 -11.979 1.448 1.544 1.00 0.00 O ATOM 351 CB THR A 26 -10.026 0.440 -1.028 1.00 0.00 C ATOM 352 OG1 THR A 26 -10.459 -0.853 -1.466 1.00 0.00 O ATOM 353 CG2 THR A 26 -9.171 0.298 0.212 1.00 0.00 C ATOM 0 HA THR A 26 -11.924 1.322 -1.587 1.00 0.00 H new ATOM 0 HB THR A 26 -9.434 0.904 -1.817 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.113 -1.026 -2.366 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.314 -0.339 -0.008 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.821 1.281 0.527 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.761 -0.150 1.011 1.00 0.00 H new ATOM 361 N LEU A 27 -12.351 -0.463 0.415 1.00 0.00 N ATOM 362 CA LEU A 27 -12.284 -1.364 1.544 1.00 0.00 C ATOM 363 C LEU A 27 -11.954 -2.755 1.041 1.00 0.00 C ATOM 364 O LEU A 27 -12.823 -3.619 0.927 1.00 0.00 O ATOM 365 CB LEU A 27 -13.592 -1.380 2.334 1.00 0.00 C ATOM 366 CG LEU A 27 -13.411 -1.606 3.837 1.00 0.00 C ATOM 367 CD1 LEU A 27 -12.418 -2.732 4.086 1.00 0.00 C ATOM 368 CD2 LEU A 27 -12.936 -0.326 4.506 1.00 0.00 C ATOM 0 H LEU A 27 -12.739 -0.877 -0.433 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.505 -1.017 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.109 -0.433 2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.236 -2.164 1.934 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.372 -1.889 4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.299 -2.882 5.159 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.788 -3.651 3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.455 -2.471 3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.811 -0.499 5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.983 -0.022 4.074 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.673 0.461 4.350 1.00 0.00 H new ATOM 380 N VAL A 28 -10.700 -2.926 0.660 1.00 0.00 N ATOM 381 CA VAL A 28 -10.314 -3.995 -0.244 1.00 0.00 C ATOM 382 C VAL A 28 -10.151 -5.306 0.503 1.00 0.00 C ATOM 383 O VAL A 28 -9.700 -5.333 1.648 1.00 0.00 O ATOM 384 CB VAL A 28 -9.007 -3.651 -0.984 1.00 0.00 C ATOM 385 CG1 VAL A 28 -8.104 -2.835 -0.082 1.00 0.00 C ATOM 386 CG2 VAL A 28 -8.299 -4.912 -1.456 1.00 0.00 C ATOM 0 H VAL A 28 -9.927 -2.334 0.965 1.00 0.00 H new ATOM 0 HA VAL A 28 -11.112 -4.106 -0.978 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.253 -3.059 -1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.182 -2.595 -0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.610 -1.912 0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.869 -3.410 0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.380 -4.641 -1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.059 -5.538 -0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.950 -5.462 -2.135 1.00 0.00 H new ATOM 396 N ARG A 29 -10.533 -6.387 -0.153 1.00 0.00 N ATOM 397 CA ARG A 29 -10.501 -7.698 0.466 1.00 0.00 C ATOM 398 C ARG A 29 -9.874 -8.713 -0.486 1.00 0.00 C ATOM 399 O ARG A 29 -10.580 -9.467 -1.157 1.00 0.00 O ATOM 400 CB ARG A 29 -11.919 -8.126 0.846 1.00 0.00 C ATOM 401 CG ARG A 29 -12.763 -6.993 1.413 1.00 0.00 C ATOM 402 CD ARG A 29 -14.186 -7.444 1.694 1.00 0.00 C ATOM 403 NE ARG A 29 -14.233 -8.550 2.646 1.00 0.00 N ATOM 404 CZ ARG A 29 -15.361 -9.113 3.070 1.00 0.00 C ATOM 405 NH1 ARG A 29 -16.532 -8.674 2.625 1.00 0.00 N ATOM 406 NH2 ARG A 29 -15.319 -10.115 3.936 1.00 0.00 N ATOM 0 H ARG A 29 -10.869 -6.382 -1.116 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.894 -7.652 1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.416 -8.533 -0.035 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.863 -8.930 1.580 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.309 -6.625 2.333 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.776 -6.161 0.709 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.761 -6.605 2.085 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.660 -7.749 0.761 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.350 -8.912 3.007 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.568 -7.904 1.957 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.396 -9.107 2.951 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -14.421 -10.456 4.279 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.185 -10.546 4.260 1.00 0.00 H new ATOM 420 N PRO A 30 -8.536 -8.698 -0.603 1.00 0.00 N ATOM 421 CA PRO A 30 -7.826 -9.345 -1.705 1.00 0.00 C ATOM 422 C PRO A 30 -7.663 -10.844 -1.491 1.00 0.00 C ATOM 423 O PRO A 30 -7.540 -11.309 -0.359 1.00 0.00 O ATOM 424 CB PRO A 30 -6.447 -8.662 -1.712 1.00 0.00 C ATOM 425 CG PRO A 30 -6.478 -7.636 -0.621 1.00 0.00 C ATOM 426 CD PRO A 30 -7.603 -8.014 0.299 1.00 0.00 C ATOM 0 HA PRO A 30 -8.372 -9.242 -2.643 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.653 -9.388 -1.540 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.249 -8.196 -2.677 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.530 -7.615 -0.084 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.634 -6.639 -1.033 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.266 -8.666 1.105 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.057 -7.140 0.765 1.00 0.00 H new ATOM 434 N LYS A 31 -7.609 -11.587 -2.592 1.00 0.00 N ATOM 435 CA LYS A 31 -7.139 -12.964 -2.554 1.00 0.00 C ATOM 436 C LYS A 31 -5.742 -13.020 -1.943 1.00 0.00 C ATOM 437 O LYS A 31 -4.799 -12.451 -2.492 1.00 0.00 O ATOM 438 CB LYS A 31 -7.123 -13.562 -3.962 1.00 0.00 C ATOM 439 CG LYS A 31 -6.688 -15.019 -4.001 1.00 0.00 C ATOM 440 CD LYS A 31 -6.696 -15.569 -5.419 1.00 0.00 C ATOM 441 CE LYS A 31 -8.103 -15.613 -5.996 1.00 0.00 C ATOM 442 NZ LYS A 31 -9.011 -16.468 -5.181 1.00 0.00 N ATOM 0 H LYS A 31 -7.884 -11.259 -3.518 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.820 -13.550 -1.937 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.120 -13.478 -4.395 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.453 -12.975 -4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.687 -15.112 -3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.353 -15.615 -3.376 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.061 -14.950 -6.053 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.269 -16.572 -5.423 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.506 -14.602 -6.048 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.065 -15.994 -7.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.871 -16.680 -5.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.527 -17.356 -4.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.270 -15.966 -4.308 1.00 0.00 H new ATOM 456 N PRO A 32 -5.603 -13.664 -0.771 1.00 0.00 N ATOM 457 CA PRO A 32 -4.401 -13.560 0.058 1.00 0.00 C ATOM 458 C PRO A 32 -3.120 -13.748 -0.745 1.00 0.00 C ATOM 459 O PRO A 32 -2.790 -14.862 -1.152 1.00 0.00 O ATOM 460 CB PRO A 32 -4.561 -14.689 1.090 1.00 0.00 C ATOM 461 CG PRO A 32 -5.772 -15.461 0.672 1.00 0.00 C ATOM 462 CD PRO A 32 -6.612 -14.520 -0.140 1.00 0.00 C ATOM 0 HA PRO A 32 -4.311 -12.571 0.508 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.678 -15.328 1.109 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.684 -14.285 2.095 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.492 -16.336 0.086 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.322 -15.822 1.541 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.216 -15.048 -0.878 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.299 -13.947 0.483 1.00 0.00 H new ATOM 470 N LEU A 33 -2.392 -12.655 -0.959 1.00 0.00 N ATOM 471 CA LEU A 33 -1.104 -12.719 -1.632 1.00 0.00 C ATOM 472 C LEU A 33 0.026 -12.550 -0.636 1.00 0.00 C ATOM 473 O LEU A 33 1.081 -13.162 -0.779 1.00 0.00 O ATOM 474 CB LEU A 33 -1.001 -11.653 -2.725 1.00 0.00 C ATOM 475 CG LEU A 33 -1.894 -11.882 -3.948 1.00 0.00 C ATOM 476 CD1 LEU A 33 -1.630 -10.815 -4.998 1.00 0.00 C ATOM 477 CD2 LEU A 33 -1.662 -13.268 -4.531 1.00 0.00 C ATOM 0 H LEU A 33 -2.674 -11.717 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.020 -13.700 -2.099 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.250 -10.685 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.035 -11.596 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.935 -11.814 -3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.271 -10.989 -5.862 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.844 -9.832 -4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.585 -10.858 -5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.306 -13.410 -5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.619 -13.366 -4.833 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.894 -14.022 -3.779 1.00 0.00 H new ATOM 489 N LEU A 34 -0.227 -11.749 0.391 1.00 0.00 N ATOM 490 CA LEU A 34 0.633 -11.668 1.543 1.00 0.00 C ATOM 491 C LEU A 34 0.033 -10.703 2.547 1.00 0.00 C ATOM 492 O LEU A 34 0.132 -9.488 2.402 1.00 0.00 O ATOM 493 CB LEU A 34 2.036 -11.230 1.145 1.00 0.00 C ATOM 494 CG LEU A 34 3.148 -12.132 1.679 1.00 0.00 C ATOM 495 CD1 LEU A 34 3.158 -12.115 3.197 1.00 0.00 C ATOM 496 CD2 LEU A 34 2.961 -13.548 1.168 1.00 0.00 C ATOM 0 H LEU A 34 -1.042 -11.137 0.439 1.00 0.00 H new ATOM 0 HA LEU A 34 0.714 -12.655 1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.100 -11.198 0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.203 -10.214 1.504 1.00 0.00 H new ATOM 0 HG LEU A 34 4.107 -11.755 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.955 -12.762 3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.327 -11.097 3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.199 -12.474 3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.759 -14.183 1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.997 -13.932 1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.992 -13.549 0.078 1.00 0.00 H new ATOM 508 N LEU A 35 -0.613 -11.263 3.550 1.00 0.00 N ATOM 509 CA LEU A 35 -1.191 -10.480 4.622 1.00 0.00 C ATOM 510 C LEU A 35 -0.479 -10.811 5.922 1.00 0.00 C ATOM 511 O LEU A 35 -0.634 -10.117 6.911 1.00 0.00 O ATOM 512 CB LEU A 35 -2.694 -10.758 4.729 1.00 0.00 C ATOM 513 CG LEU A 35 -3.525 -10.371 3.496 1.00 0.00 C ATOM 514 CD1 LEU A 35 -3.265 -8.920 3.102 1.00 0.00 C ATOM 515 CD2 LEU A 35 -3.231 -11.308 2.331 1.00 0.00 C ATOM 0 H LEU A 35 -0.751 -12.269 3.644 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.063 -9.418 4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.837 -11.821 4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.085 -10.221 5.593 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.580 -10.469 3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.864 -8.668 2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.537 -8.264 3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.208 -8.790 2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.830 -11.016 1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.173 -11.249 2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.479 -12.331 2.615 1.00 0.00 H new ATOM 527 N LYS A 36 0.389 -11.816 5.872 1.00 0.00 N ATOM 528 CA LYS A 36 1.544 -11.862 6.759 1.00 0.00 C ATOM 529 C LYS A 36 2.526 -10.765 6.366 1.00 0.00 C ATOM 530 O LYS A 36 3.480 -10.471 7.084 1.00 0.00 O ATOM 531 CB LYS A 36 2.225 -13.230 6.686 1.00 0.00 C ATOM 532 CG LYS A 36 1.449 -14.342 7.378 1.00 0.00 C ATOM 533 CD LYS A 36 0.173 -14.691 6.629 1.00 0.00 C ATOM 534 CE LYS A 36 -0.609 -15.784 7.337 1.00 0.00 C ATOM 535 NZ LYS A 36 -1.020 -15.374 8.709 1.00 0.00 N ATOM 0 H LYS A 36 0.315 -12.605 5.230 1.00 0.00 H new ATOM 0 HA LYS A 36 1.211 -11.702 7.784 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.369 -13.498 5.639 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.215 -13.157 7.136 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.078 -15.229 7.458 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.201 -14.035 8.394 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.449 -13.801 6.534 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.421 -15.016 5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.494 -16.034 6.752 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.000 -16.686 7.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.740 -16.033 9.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.192 -15.390 9.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.415 -14.412 8.680 1.00 0.00 H new ATOM 549 N LEU A 37 2.248 -10.149 5.224 1.00 0.00 N ATOM 550 CA LEU A 37 2.948 -8.960 4.781 1.00 0.00 C ATOM 551 C LEU A 37 2.518 -7.767 5.633 1.00 0.00 C ATOM 552 O LEU A 37 3.246 -6.784 5.765 1.00 0.00 O ATOM 553 CB LEU A 37 2.614 -8.736 3.300 1.00 0.00 C ATOM 554 CG LEU A 37 3.444 -7.709 2.532 1.00 0.00 C ATOM 555 CD1 LEU A 37 3.074 -6.314 2.969 1.00 0.00 C ATOM 556 CD2 LEU A 37 4.931 -7.954 2.704 1.00 0.00 C ATOM 0 H LEU A 37 1.525 -10.466 4.578 1.00 0.00 H new ATOM 0 HA LEU A 37 4.026 -9.077 4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.707 -9.693 2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.567 -8.439 3.234 1.00 0.00 H new ATOM 0 HG LEU A 37 3.220 -7.816 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.671 -5.589 2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.016 -6.139 2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.267 -6.204 4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.490 -7.205 2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.191 -7.886 3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.182 -8.947 2.331 1.00 0.00 H new ATOM 568 N LEU A 38 1.325 -7.869 6.213 1.00 0.00 N ATOM 569 CA LEU A 38 0.762 -6.780 7.003 1.00 0.00 C ATOM 570 C LEU A 38 0.373 -7.251 8.402 1.00 0.00 C ATOM 571 O LEU A 38 0.873 -6.732 9.400 1.00 0.00 O ATOM 572 CB LEU A 38 -0.457 -6.190 6.291 1.00 0.00 C ATOM 573 CG LEU A 38 -0.185 -5.620 4.900 1.00 0.00 C ATOM 574 CD1 LEU A 38 -1.322 -4.721 4.456 1.00 0.00 C ATOM 575 CD2 LEU A 38 1.119 -4.853 4.890 1.00 0.00 C ATOM 0 H LEU A 38 0.730 -8.695 6.150 1.00 0.00 H new ATOM 0 HA LEU A 38 1.527 -6.010 7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.219 -6.965 6.206 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.875 -5.400 6.915 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.109 -6.452 4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.107 -4.326 3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.249 -5.294 4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.429 -3.895 5.159 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.298 -4.453 3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.064 -4.032 5.605 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.936 -5.520 5.166 1.00 0.00 H new ATOM 587 N LYS A 39 -0.512 -8.243 8.464 1.00 0.00 N ATOM 588 CA LYS A 39 -0.909 -8.847 9.741 1.00 0.00 C ATOM 589 C LYS A 39 0.294 -9.038 10.662 1.00 0.00 C ATOM 590 O LYS A 39 0.195 -8.848 11.875 1.00 0.00 O ATOM 591 CB LYS A 39 -1.593 -10.199 9.512 1.00 0.00 C ATOM 592 CG LYS A 39 -2.939 -10.100 8.813 1.00 0.00 C ATOM 593 CD LYS A 39 -3.279 -11.382 8.075 1.00 0.00 C ATOM 594 CE LYS A 39 -4.676 -11.332 7.480 1.00 0.00 C ATOM 595 NZ LYS A 39 -5.081 -12.643 6.901 1.00 0.00 N ATOM 0 H LYS A 39 -0.970 -8.648 7.647 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.611 -8.164 10.219 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.933 -10.833 8.919 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.730 -10.693 10.474 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.716 -9.884 9.546 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.924 -9.267 8.110 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.551 -11.550 7.281 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.205 -12.227 8.759 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.389 -11.040 8.251 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.713 -10.566 6.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.040 -12.567 6.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.416 -12.910 6.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.070 -13.369 7.645 1.00 0.00 H new ATOM 609 N SER A 40 1.425 -9.426 10.085 1.00 0.00 N ATOM 610 CA SER A 40 2.626 -9.701 10.868 1.00 0.00 C ATOM 611 C SER A 40 3.273 -8.407 11.352 1.00 0.00 C ATOM 612 O SER A 40 3.625 -8.280 12.526 1.00 0.00 O ATOM 613 CB SER A 40 3.629 -10.509 10.044 1.00 0.00 C ATOM 614 OG SER A 40 4.803 -10.778 10.789 1.00 0.00 O ATOM 0 H SER A 40 1.537 -9.557 9.080 1.00 0.00 H new ATOM 0 HA SER A 40 2.330 -10.285 11.739 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.172 -11.447 9.728 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.887 -9.959 9.139 1.00 0.00 H new ATOM 0 HG SER A 40 5.427 -11.297 10.240 1.00 0.00 H new ATOM 620 N VAL A 41 3.433 -7.450 10.442 1.00 0.00 N ATOM 621 CA VAL A 41 4.075 -6.186 10.772 1.00 0.00 C ATOM 622 C VAL A 41 3.175 -5.328 11.663 1.00 0.00 C ATOM 623 O VAL A 41 3.562 -4.238 12.089 1.00 0.00 O ATOM 624 CB VAL A 41 4.454 -5.403 9.495 1.00 0.00 C ATOM 625 CG1 VAL A 41 3.214 -5.005 8.709 1.00 0.00 C ATOM 626 CG2 VAL A 41 5.286 -4.180 9.838 1.00 0.00 C ATOM 0 H VAL A 41 3.127 -7.528 9.472 1.00 0.00 H new ATOM 0 HA VAL A 41 4.988 -6.418 11.320 1.00 0.00 H new ATOM 0 HB VAL A 41 5.055 -6.060 8.867 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.510 -4.455 7.816 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.664 -5.900 8.419 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.577 -4.374 9.329 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.541 -3.645 8.923 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.715 -3.524 10.495 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.201 -4.492 10.342 1.00 0.00 H new ATOM 636 N GLY A 42 1.988 -5.842 11.976 1.00 0.00 N ATOM 637 CA GLY A 42 1.139 -5.191 12.959 1.00 0.00 C ATOM 638 C GLY A 42 -0.332 -5.522 12.787 1.00 0.00 C ATOM 639 O GLY A 42 -1.060 -5.653 13.771 1.00 0.00 O ATOM 0 H GLY A 42 1.601 -6.693 11.569 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.458 -5.487 13.958 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.273 -4.112 12.888 1.00 0.00 H new ATOM 643 N ALA A 43 -0.777 -5.619 11.538 1.00 0.00 N ATOM 644 CA ALA A 43 -2.202 -5.721 11.238 1.00 0.00 C ATOM 645 C ALA A 43 -2.816 -6.969 11.868 1.00 0.00 C ATOM 646 O ALA A 43 -2.106 -7.834 12.378 1.00 0.00 O ATOM 647 CB ALA A 43 -2.421 -5.723 9.734 1.00 0.00 C ATOM 0 H ALA A 43 -0.172 -5.629 10.717 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.701 -4.853 11.669 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.487 -5.799 9.522 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.032 -4.798 9.308 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.901 -6.573 9.292 1.00 0.00 H new ATOM 653 N GLN A 44 -4.145 -7.048 11.837 1.00 0.00 N ATOM 654 CA GLN A 44 -4.860 -8.167 12.445 1.00 0.00 C ATOM 655 C GLN A 44 -6.126 -8.504 11.661 1.00 0.00 C ATOM 656 O GLN A 44 -6.565 -9.654 11.639 1.00 0.00 O ATOM 657 CB GLN A 44 -5.222 -7.841 13.896 1.00 0.00 C ATOM 658 CG GLN A 44 -4.015 -7.678 14.806 1.00 0.00 C ATOM 659 CD GLN A 44 -3.187 -8.944 14.912 1.00 0.00 C ATOM 660 OE1 GLN A 44 -3.711 -10.053 14.807 1.00 0.00 O ATOM 661 NE2 GLN A 44 -1.886 -8.783 15.120 1.00 0.00 N ATOM 0 H GLN A 44 -4.747 -6.351 11.398 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.201 -9.035 12.424 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.808 -6.922 13.917 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -5.858 -8.634 14.289 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.388 -6.869 14.430 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.352 -7.385 15.800 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.495 -7.844 15.201 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.278 -9.598 15.199 1.00 0.00 H new ATOM 670 N LYS A 45 -6.717 -7.491 11.034 1.00 0.00 N ATOM 671 CA LYS A 45 -7.987 -7.658 10.335 1.00 0.00 C ATOM 672 C LYS A 45 -7.846 -8.634 9.169 1.00 0.00 C ATOM 673 O LYS A 45 -6.766 -8.783 8.596 1.00 0.00 O ATOM 674 CB LYS A 45 -8.494 -6.310 9.821 1.00 0.00 C ATOM 675 CG LYS A 45 -8.602 -5.248 10.906 1.00 0.00 C ATOM 676 CD LYS A 45 -9.128 -3.933 10.352 1.00 0.00 C ATOM 677 CE LYS A 45 -8.164 -3.319 9.350 1.00 0.00 C ATOM 678 NZ LYS A 45 -8.678 -2.034 8.798 1.00 0.00 N ATOM 0 H LYS A 45 -6.336 -6.545 10.996 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.708 -8.066 11.044 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.823 -5.953 9.039 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.473 -6.450 9.362 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.264 -5.601 11.697 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.623 -5.088 11.358 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.093 -4.100 9.873 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.295 -3.234 11.171 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.201 -3.148 9.831 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.992 -4.021 8.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.556 -2.026 7.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.688 -1.936 9.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.150 -1.241 9.215 1.00 0.00 H new ATOM 692 N ASP A 46 -8.949 -9.288 8.818 1.00 0.00 N ATOM 693 CA ASP A 46 -8.970 -10.208 7.687 1.00 0.00 C ATOM 694 C ASP A 46 -9.074 -9.446 6.371 1.00 0.00 C ATOM 695 O ASP A 46 -8.886 -10.015 5.295 1.00 0.00 O ATOM 696 CB ASP A 46 -10.138 -11.186 7.819 1.00 0.00 C ATOM 697 CG ASP A 46 -11.480 -10.484 7.859 1.00 0.00 C ATOM 698 OD1 ASP A 46 -11.935 -10.136 8.970 1.00 0.00 O ATOM 699 OD2 ASP A 46 -12.076 -10.280 6.780 1.00 0.00 O ATOM 0 H ASP A 46 -9.842 -9.197 9.302 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.036 -10.769 7.689 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.121 -11.883 6.981 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.013 -11.776 8.727 1.00 0.00 H new ATOM 704 N THR A 47 -9.361 -8.151 6.467 1.00 0.00 N ATOM 705 CA THR A 47 -9.393 -7.283 5.297 1.00 0.00 C ATOM 706 C THR A 47 -8.449 -6.108 5.467 1.00 0.00 C ATOM 707 O THR A 47 -7.805 -5.959 6.506 1.00 0.00 O ATOM 708 CB THR A 47 -10.806 -6.732 5.026 1.00 0.00 C ATOM 709 OG1 THR A 47 -11.317 -6.098 6.205 1.00 0.00 O ATOM 710 CG2 THR A 47 -11.757 -7.831 4.586 1.00 0.00 C ATOM 0 H THR A 47 -9.575 -7.680 7.346 1.00 0.00 H new ATOM 0 HA THR A 47 -9.081 -7.897 4.452 1.00 0.00 H new ATOM 0 HB THR A 47 -10.731 -6.004 4.218 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.215 -5.748 6.025 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.744 -7.406 4.404 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.384 -8.290 3.670 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.826 -8.587 5.368 1.00 0.00 H new ATOM 718 N TYR A 48 -8.371 -5.277 4.438 1.00 0.00 N ATOM 719 CA TYR A 48 -7.470 -4.140 4.454 1.00 0.00 C ATOM 720 C TYR A 48 -8.030 -2.977 3.658 1.00 0.00 C ATOM 721 O TYR A 48 -9.051 -3.101 2.980 1.00 0.00 O ATOM 722 CB TYR A 48 -6.118 -4.540 3.886 1.00 0.00 C ATOM 723 CG TYR A 48 -5.290 -5.359 4.836 1.00 0.00 C ATOM 724 CD1 TYR A 48 -4.514 -4.741 5.801 1.00 0.00 C ATOM 725 CD2 TYR A 48 -5.276 -6.746 4.765 1.00 0.00 C ATOM 726 CE1 TYR A 48 -3.740 -5.476 6.672 1.00 0.00 C ATOM 727 CE2 TYR A 48 -4.501 -7.490 5.634 1.00 0.00 C ATOM 728 CZ TYR A 48 -3.736 -6.850 6.582 1.00 0.00 C ATOM 729 OH TYR A 48 -2.962 -7.585 7.444 1.00 0.00 O ATOM 0 H TYR A 48 -8.921 -5.371 3.584 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.355 -3.821 5.490 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.271 -5.107 2.968 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.565 -3.640 3.616 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.515 -3.663 5.873 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.878 -7.249 4.022 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.141 -4.978 7.420 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.496 -8.568 5.570 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.440 -7.705 8.291 1.00 0.00 H new ATOM 739 N THR A 49 -7.339 -1.848 3.730 1.00 0.00 N ATOM 740 CA THR A 49 -7.708 -0.693 2.932 1.00 0.00 C ATOM 741 C THR A 49 -6.474 -0.027 2.328 1.00 0.00 C ATOM 742 O THR A 49 -5.366 -0.544 2.444 1.00 0.00 O ATOM 743 CB THR A 49 -8.492 0.343 3.760 1.00 0.00 C ATOM 744 OG1 THR A 49 -7.593 1.105 4.574 1.00 0.00 O ATOM 745 CG2 THR A 49 -9.525 -0.338 4.646 1.00 0.00 C ATOM 0 H THR A 49 -6.525 -1.710 4.329 1.00 0.00 H new ATOM 0 HA THR A 49 -8.350 -1.056 2.130 1.00 0.00 H new ATOM 0 HB THR A 49 -9.009 1.007 3.067 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.106 1.648 5.208 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.065 0.415 5.220 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.228 -0.893 4.025 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.023 -1.024 5.329 1.00 0.00 H new ATOM 753 N MET A 50 -6.672 1.113 1.672 1.00 0.00 N ATOM 754 CA MET A 50 -5.582 1.782 0.971 1.00 0.00 C ATOM 755 C MET A 50 -4.683 2.545 1.939 1.00 0.00 C ATOM 756 O MET A 50 -3.463 2.574 1.772 1.00 0.00 O ATOM 757 CB MET A 50 -6.127 2.732 -0.097 1.00 0.00 C ATOM 758 CG MET A 50 -6.555 2.029 -1.374 1.00 0.00 C ATOM 759 SD MET A 50 -6.627 3.144 -2.790 1.00 0.00 S ATOM 760 CE MET A 50 -4.921 3.684 -2.884 1.00 0.00 C ATOM 0 H MET A 50 -7.572 1.590 1.612 1.00 0.00 H new ATOM 0 HA MET A 50 -4.983 1.011 0.486 1.00 0.00 H new ATOM 0 HB2 MET A 50 -6.979 3.275 0.312 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.363 3.472 -0.338 1.00 0.00 H new ATOM 0 HG2 MET A 50 -5.858 1.219 -1.589 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.535 1.575 -1.224 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.667 3.910 -3.920 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.788 4.578 -2.275 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.268 2.893 -2.515 1.00 0.00 H new ATOM 770 N LYS A 51 -5.284 3.152 2.959 1.00 0.00 N ATOM 771 CA LYS A 51 -4.516 3.848 3.987 1.00 0.00 C ATOM 772 C LYS A 51 -3.907 2.844 4.957 1.00 0.00 C ATOM 773 O LYS A 51 -2.772 3.003 5.413 1.00 0.00 O ATOM 774 CB LYS A 51 -5.404 4.839 4.745 1.00 0.00 C ATOM 775 CG LYS A 51 -6.535 4.181 5.519 1.00 0.00 C ATOM 776 CD LYS A 51 -7.326 5.198 6.325 1.00 0.00 C ATOM 777 CE LYS A 51 -8.460 4.541 7.094 1.00 0.00 C ATOM 778 NZ LYS A 51 -9.232 5.528 7.900 1.00 0.00 N ATOM 0 H LYS A 51 -6.295 3.176 3.095 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.714 4.403 3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.786 5.410 5.438 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.827 5.550 4.035 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.201 3.668 4.825 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.127 3.424 6.188 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.661 5.708 7.022 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.731 5.958 5.656 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.130 4.040 6.395 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.054 3.773 7.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.996 5.039 8.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.599 5.988 8.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.641 6.247 7.270 1.00 0.00 H new ATOM 792 N GLU A 52 -4.664 1.792 5.243 1.00 0.00 N ATOM 793 CA GLU A 52 -4.169 0.679 6.028 1.00 0.00 C ATOM 794 C GLU A 52 -2.890 0.123 5.411 1.00 0.00 C ATOM 795 O GLU A 52 -1.846 0.080 6.059 1.00 0.00 O ATOM 796 CB GLU A 52 -5.239 -0.407 6.092 1.00 0.00 C ATOM 797 CG GLU A 52 -5.674 -0.768 7.503 1.00 0.00 C ATOM 798 CD GLU A 52 -4.543 -1.320 8.345 1.00 0.00 C ATOM 799 OE1 GLU A 52 -4.307 -2.545 8.293 1.00 0.00 O ATOM 800 OE2 GLU A 52 -3.893 -0.527 9.057 1.00 0.00 O ATOM 0 H GLU A 52 -5.632 1.691 4.937 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.941 1.023 7.037 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.111 -0.076 5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.862 -1.303 5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.084 0.117 7.989 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.476 -1.504 7.453 1.00 0.00 H new ATOM 807 N VAL A 53 -2.983 -0.283 4.149 1.00 0.00 N ATOM 808 CA VAL A 53 -1.828 -0.792 3.419 1.00 0.00 C ATOM 809 C VAL A 53 -0.838 0.326 3.107 1.00 0.00 C ATOM 810 O VAL A 53 0.339 0.070 2.854 1.00 0.00 O ATOM 811 CB VAL A 53 -2.250 -1.475 2.102 1.00 0.00 C ATOM 812 CG1 VAL A 53 -1.040 -2.023 1.364 1.00 0.00 C ATOM 813 CG2 VAL A 53 -3.255 -2.582 2.375 1.00 0.00 C ATOM 0 H VAL A 53 -3.849 -0.269 3.610 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.347 -1.529 4.062 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.724 -0.726 1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.363 -2.500 0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.355 -1.207 1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.532 -2.756 1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.542 -3.053 1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.806 -3.327 3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.139 -2.161 2.854 1.00 0.00 H new ATOM 823 N LEU A 54 -1.314 1.568 3.138 1.00 0.00 N ATOM 824 CA LEU A 54 -0.438 2.717 2.938 1.00 0.00 C ATOM 825 C LEU A 54 0.759 2.646 3.877 1.00 0.00 C ATOM 826 O LEU A 54 1.881 2.357 3.451 1.00 0.00 O ATOM 827 CB LEU A 54 -1.203 4.028 3.154 1.00 0.00 C ATOM 828 CG LEU A 54 -0.332 5.282 3.293 1.00 0.00 C ATOM 829 CD1 LEU A 54 0.555 5.464 2.070 1.00 0.00 C ATOM 830 CD2 LEU A 54 -1.203 6.512 3.504 1.00 0.00 C ATOM 0 H LEU A 54 -2.294 1.803 3.298 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.077 2.693 1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.887 4.172 2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.814 3.929 4.051 1.00 0.00 H new ATOM 0 HG LEU A 54 0.311 5.155 4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.164 6.360 2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.205 4.596 1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.067 5.566 1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.570 7.394 3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.870 6.636 2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.794 6.388 4.412 1.00 0.00 H new ATOM 842 N PHE A 55 0.521 2.912 5.156 1.00 0.00 N ATOM 843 CA PHE A 55 1.607 2.949 6.125 1.00 0.00 C ATOM 844 C PHE A 55 2.132 1.547 6.419 1.00 0.00 C ATOM 845 O PHE A 55 3.287 1.385 6.803 1.00 0.00 O ATOM 846 CB PHE A 55 1.165 3.638 7.421 1.00 0.00 C ATOM 847 CG PHE A 55 -0.106 3.097 8.010 1.00 0.00 C ATOM 848 CD1 PHE A 55 -0.114 1.897 8.701 1.00 0.00 C ATOM 849 CD2 PHE A 55 -1.295 3.797 7.880 1.00 0.00 C ATOM 850 CE1 PHE A 55 -1.282 1.405 9.250 1.00 0.00 C ATOM 851 CE2 PHE A 55 -2.467 3.310 8.425 1.00 0.00 C ATOM 852 CZ PHE A 55 -2.460 2.112 9.112 1.00 0.00 C ATOM 0 H PHE A 55 -0.404 3.103 5.542 1.00 0.00 H new ATOM 0 HA PHE A 55 2.418 3.531 5.687 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.962 3.543 8.159 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.036 4.703 7.226 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.804 1.339 8.812 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.305 4.735 7.346 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.274 0.468 9.787 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.387 3.865 8.314 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.374 1.729 9.541 1.00 0.00 H new ATOM 862 N TYR A 56 1.280 0.535 6.245 1.00 0.00 N ATOM 863 CA TYR A 56 1.644 -0.834 6.604 1.00 0.00 C ATOM 864 C TYR A 56 2.606 -1.447 5.599 1.00 0.00 C ATOM 865 O TYR A 56 3.623 -2.022 5.982 1.00 0.00 O ATOM 866 CB TYR A 56 0.406 -1.715 6.740 1.00 0.00 C ATOM 867 CG TYR A 56 0.056 -2.018 8.177 1.00 0.00 C ATOM 868 CD1 TYR A 56 1.053 -2.294 9.108 1.00 0.00 C ATOM 869 CD2 TYR A 56 -1.263 -2.027 8.605 1.00 0.00 C ATOM 870 CE1 TYR A 56 0.744 -2.570 10.424 1.00 0.00 C ATOM 871 CE2 TYR A 56 -1.583 -2.301 9.919 1.00 0.00 C ATOM 872 CZ TYR A 56 -0.577 -2.572 10.826 1.00 0.00 C ATOM 873 OH TYR A 56 -0.893 -2.841 12.138 1.00 0.00 O ATOM 0 H TYR A 56 0.341 0.637 5.861 1.00 0.00 H new ATOM 0 HA TYR A 56 2.149 -0.782 7.569 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.440 -1.221 6.262 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.572 -2.651 6.207 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.087 -2.292 8.795 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.052 -1.816 7.899 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.529 -2.783 11.134 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.615 -2.304 10.237 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.865 -2.802 12.255 1.00 0.00 H new ATOM 883 N LEU A 57 2.302 -1.315 4.316 1.00 0.00 N ATOM 884 CA LEU A 57 3.238 -1.731 3.286 1.00 0.00 C ATOM 885 C LEU A 57 4.545 -0.970 3.446 1.00 0.00 C ATOM 886 O LEU A 57 5.626 -1.541 3.309 1.00 0.00 O ATOM 887 CB LEU A 57 2.660 -1.493 1.889 1.00 0.00 C ATOM 888 CG LEU A 57 2.978 -2.579 0.852 1.00 0.00 C ATOM 889 CD1 LEU A 57 4.426 -3.038 0.965 1.00 0.00 C ATOM 890 CD2 LEU A 57 2.029 -3.755 1.008 1.00 0.00 C ATOM 0 H LEU A 57 1.425 -0.928 3.968 1.00 0.00 H new ATOM 0 HA LEU A 57 3.422 -2.799 3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.577 -1.401 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.034 -0.539 1.517 1.00 0.00 H new ATOM 0 HG LEU A 57 2.840 -2.151 -0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.623 -3.807 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.091 -2.191 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.602 -3.445 1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.268 -4.516 0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.134 -4.177 2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.003 -3.416 0.863 1.00 0.00 H new ATOM 902 N GLY A 58 4.434 0.312 3.783 1.00 0.00 N ATOM 903 CA GLY A 58 5.602 1.072 4.184 1.00 0.00 C ATOM 904 C GLY A 58 6.304 0.459 5.380 1.00 0.00 C ATOM 905 O GLY A 58 7.534 0.461 5.452 1.00 0.00 O ATOM 0 H GLY A 58 3.559 0.835 3.785 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.299 1.132 3.348 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.304 2.093 4.424 1.00 0.00 H new ATOM 909 N GLN A 59 5.522 -0.077 6.317 1.00 0.00 N ATOM 910 CA GLN A 59 6.085 -0.729 7.495 1.00 0.00 C ATOM 911 C GLN A 59 6.928 -1.933 7.097 1.00 0.00 C ATOM 912 O GLN A 59 8.083 -2.050 7.502 1.00 0.00 O ATOM 913 CB GLN A 59 4.979 -1.179 8.459 1.00 0.00 C ATOM 914 CG GLN A 59 4.234 -0.037 9.133 1.00 0.00 C ATOM 915 CD GLN A 59 5.161 1.040 9.664 1.00 0.00 C ATOM 916 OE1 GLN A 59 5.617 0.977 10.804 1.00 0.00 O ATOM 917 NE2 GLN A 59 5.442 2.039 8.835 1.00 0.00 N ATOM 0 H GLN A 59 4.503 -0.072 6.282 1.00 0.00 H new ATOM 0 HA GLN A 59 6.718 0.001 7.999 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.263 -1.792 7.911 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.419 -1.814 9.228 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.539 0.408 8.420 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.638 -0.434 9.955 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.041 2.051 7.897 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.058 2.794 9.136 1.00 0.00 H new ATOM 926 N TYR A 60 6.336 -2.846 6.332 1.00 0.00 N ATOM 927 CA TYR A 60 6.988 -4.115 6.041 1.00 0.00 C ATOM 928 C TYR A 60 8.304 -3.908 5.297 1.00 0.00 C ATOM 929 O TYR A 60 9.303 -4.547 5.618 1.00 0.00 O ATOM 930 CB TYR A 60 6.075 -5.032 5.231 1.00 0.00 C ATOM 931 CG TYR A 60 6.559 -6.463 5.193 1.00 0.00 C ATOM 932 CD1 TYR A 60 7.602 -6.845 4.359 1.00 0.00 C ATOM 933 CD2 TYR A 60 5.976 -7.429 5.996 1.00 0.00 C ATOM 934 CE1 TYR A 60 8.049 -8.151 4.331 1.00 0.00 C ATOM 935 CE2 TYR A 60 6.414 -8.736 5.973 1.00 0.00 C ATOM 936 CZ TYR A 60 7.451 -9.094 5.139 1.00 0.00 C ATOM 937 OH TYR A 60 7.893 -10.396 5.116 1.00 0.00 O ATOM 0 H TYR A 60 5.416 -2.731 5.907 1.00 0.00 H new ATOM 0 HA TYR A 60 7.202 -4.590 6.998 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.072 -5.005 5.656 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.000 -4.653 4.212 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.071 -6.109 3.723 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.164 -7.153 6.652 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.863 -8.432 3.679 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.947 -9.476 6.606 1.00 0.00 H new ATOM 0 HH TYR A 60 7.366 -10.932 5.745 1.00 0.00 H new ATOM 947 N ILE A 61 8.307 -3.030 4.295 1.00 0.00 N ATOM 948 CA ILE A 61 9.511 -2.812 3.501 1.00 0.00 C ATOM 949 C ILE A 61 10.628 -2.213 4.346 1.00 0.00 C ATOM 950 O ILE A 61 11.757 -2.700 4.325 1.00 0.00 O ATOM 951 CB ILE A 61 9.261 -1.915 2.272 1.00 0.00 C ATOM 952 CG1 ILE A 61 8.381 -0.720 2.629 1.00 0.00 C ATOM 953 CG2 ILE A 61 8.635 -2.728 1.151 1.00 0.00 C ATOM 954 CD1 ILE A 61 8.044 0.150 1.437 1.00 0.00 C ATOM 0 H ILE A 61 7.503 -2.467 4.018 1.00 0.00 H new ATOM 0 HA ILE A 61 9.814 -3.795 3.141 1.00 0.00 H new ATOM 0 HB ILE A 61 10.221 -1.527 1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.457 -1.080 3.081 1.00 0.00 H new ATOM 0 HG13 ILE A 61 8.888 -0.115 3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.463 -2.085 0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.307 -3.539 0.871 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.686 -3.144 1.489 1.00 0.00 H new ATOM 0 HD11 ILE A 61 7.417 0.981 1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.963 0.538 0.998 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.509 -0.442 0.694 1.00 0.00 H new ATOM 966 N MET A 62 10.308 -1.172 5.110 1.00 0.00 N ATOM 967 CA MET A 62 11.272 -0.591 6.037 1.00 0.00 C ATOM 968 C MET A 62 11.655 -1.597 7.123 1.00 0.00 C ATOM 969 O MET A 62 12.651 -1.420 7.823 1.00 0.00 O ATOM 970 CB MET A 62 10.715 0.686 6.672 1.00 0.00 C ATOM 971 CG MET A 62 9.585 0.442 7.658 1.00 0.00 C ATOM 972 SD MET A 62 8.927 1.970 8.355 1.00 0.00 S ATOM 973 CE MET A 62 10.384 2.636 9.154 1.00 0.00 C ATOM 0 H MET A 62 9.395 -0.717 5.105 1.00 0.00 H new ATOM 0 HA MET A 62 12.168 -0.334 5.471 1.00 0.00 H new ATOM 0 HB2 MET A 62 11.524 1.208 7.183 1.00 0.00 H new ATOM 0 HB3 MET A 62 10.358 1.347 5.882 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.782 -0.099 7.158 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.944 -0.196 8.466 1.00 0.00 H new ATOM 0 HE1 MET A 62 10.098 3.119 10.088 1.00 0.00 H new ATOM 0 HE2 MET A 62 11.085 1.828 9.363 1.00 0.00 H new ATOM 0 HE3 MET A 62 10.857 3.366 8.498 1.00 0.00 H new ATOM 983 N THR A 63 10.872 -2.669 7.232 1.00 0.00 N ATOM 984 CA THR A 63 11.224 -3.790 8.098 1.00 0.00 C ATOM 985 C THR A 63 11.655 -5.001 7.274 1.00 0.00 C ATOM 986 O THR A 63 11.699 -4.943 6.046 1.00 0.00 O ATOM 987 CB THR A 63 10.051 -4.195 9.012 1.00 0.00 C ATOM 988 OG1 THR A 63 8.925 -4.594 8.223 1.00 0.00 O ATOM 989 CG2 THR A 63 9.654 -3.043 9.924 1.00 0.00 C ATOM 0 H THR A 63 9.991 -2.784 6.731 1.00 0.00 H new ATOM 0 HA THR A 63 12.055 -3.458 8.721 1.00 0.00 H new ATOM 0 HB THR A 63 10.375 -5.033 9.629 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.234 -4.913 7.349 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.824 -3.352 10.560 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.504 -2.762 10.547 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.349 -2.189 9.319 1.00 0.00 H new ATOM 997 N LYS A 64 11.961 -6.102 7.958 1.00 0.00 N ATOM 998 CA LYS A 64 12.253 -7.373 7.292 1.00 0.00 C ATOM 999 C LYS A 64 13.353 -7.218 6.243 1.00 0.00 C ATOM 1000 O LYS A 64 13.548 -8.099 5.405 1.00 0.00 O ATOM 1001 CB LYS A 64 10.985 -7.932 6.641 1.00 0.00 C ATOM 1002 CG LYS A 64 9.844 -8.175 7.618 1.00 0.00 C ATOM 1003 CD LYS A 64 10.015 -9.481 8.381 1.00 0.00 C ATOM 1004 CE LYS A 64 10.994 -9.339 9.536 1.00 0.00 C ATOM 1005 NZ LYS A 64 10.554 -8.304 10.514 1.00 0.00 N ATOM 0 H LYS A 64 12.014 -6.141 8.976 1.00 0.00 H new ATOM 0 HA LYS A 64 12.608 -8.071 8.050 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.648 -7.239 5.870 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.228 -8.870 6.142 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.789 -7.347 8.325 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.899 -8.194 7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.048 -9.808 8.763 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.367 -10.256 7.700 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.097 -10.298 10.044 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.978 -9.076 9.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.979 -8.501 11.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.858 -7.365 10.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.517 -8.323 10.597 1.00 0.00 H new ATOM 1019 N ARG A 65 14.082 -6.111 6.321 1.00 0.00 N ATOM 1020 CA ARG A 65 15.271 -5.895 5.499 1.00 0.00 C ATOM 1021 C ARG A 65 15.066 -6.355 4.057 1.00 0.00 C ATOM 1022 O ARG A 65 15.736 -7.275 3.588 1.00 0.00 O ATOM 1023 CB ARG A 65 16.475 -6.612 6.113 1.00 0.00 C ATOM 1024 CG ARG A 65 16.834 -6.113 7.504 1.00 0.00 C ATOM 1025 CD ARG A 65 18.010 -6.881 8.087 1.00 0.00 C ATOM 1026 NE ARG A 65 17.712 -8.301 8.246 1.00 0.00 N ATOM 1027 CZ ARG A 65 18.445 -9.129 8.984 1.00 0.00 C ATOM 1028 NH1 ARG A 65 19.513 -8.681 9.631 1.00 0.00 N ATOM 1029 NH2 ARG A 65 18.109 -10.409 9.079 1.00 0.00 N ATOM 0 H ARG A 65 13.868 -5.339 6.953 1.00 0.00 H new ATOM 0 HA ARG A 65 15.459 -4.822 5.476 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.265 -7.681 6.162 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.336 -6.486 5.457 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.078 -5.052 7.459 1.00 0.00 H new ATOM 0 HG3 ARG A 65 15.971 -6.214 8.162 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.877 -6.763 7.438 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.276 -6.456 9.055 1.00 0.00 H new ATOM 0 HE ARG A 65 16.896 -8.679 7.764 1.00 0.00 H new ATOM 0 HH11 ARG A 65 19.775 -7.697 9.563 1.00 0.00 H new ATOM 0 HH12 ARG A 65 20.072 -9.320 10.196 1.00 0.00 H new ATOM 0 HH21 ARG A 65 17.288 -10.759 8.586 1.00 0.00 H new ATOM 0 HH22 ARG A 65 18.672 -11.043 9.645 1.00 0.00 H new ATOM 1043 N LEU A 66 14.164 -5.679 3.351 1.00 0.00 N ATOM 1044 CA LEU A 66 14.028 -5.854 1.910 1.00 0.00 C ATOM 1045 C LEU A 66 14.165 -4.515 1.190 1.00 0.00 C ATOM 1046 O LEU A 66 14.367 -4.467 -0.024 1.00 0.00 O ATOM 1047 CB LEU A 66 12.672 -6.479 1.589 1.00 0.00 C ATOM 1048 CG LEU A 66 12.237 -7.583 2.553 1.00 0.00 C ATOM 1049 CD1 LEU A 66 10.796 -7.976 2.294 1.00 0.00 C ATOM 1050 CD2 LEU A 66 13.150 -8.790 2.429 1.00 0.00 C ATOM 0 H LEU A 66 13.515 -5.004 3.755 1.00 0.00 H new ATOM 0 HA LEU A 66 14.822 -6.516 1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.915 -5.694 1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.705 -6.888 0.579 1.00 0.00 H new ATOM 0 HG LEU A 66 12.312 -7.200 3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.503 -8.763 2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.151 -7.109 2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.696 -8.340 1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.825 -9.565 3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.108 -9.174 1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.173 -8.498 2.665 1.00 0.00 H new ATOM 1062 N TYR A 67 14.036 -3.432 1.950 1.00 0.00 N ATOM 1063 CA TYR A 67 14.036 -2.087 1.383 1.00 0.00 C ATOM 1064 C TYR A 67 15.445 -1.663 0.980 1.00 0.00 C ATOM 1065 O TYR A 67 16.418 -1.973 1.668 1.00 0.00 O ATOM 1066 CB TYR A 67 13.449 -1.098 2.393 1.00 0.00 C ATOM 1067 CG TYR A 67 14.388 -0.759 3.530 1.00 0.00 C ATOM 1068 CD1 TYR A 67 14.513 -1.599 4.630 1.00 0.00 C ATOM 1069 CD2 TYR A 67 15.150 0.402 3.502 1.00 0.00 C ATOM 1070 CE1 TYR A 67 15.372 -1.292 5.668 1.00 0.00 C ATOM 1071 CE2 TYR A 67 16.011 0.715 4.537 1.00 0.00 C ATOM 1072 CZ TYR A 67 16.118 -0.134 5.617 1.00 0.00 C ATOM 1073 OH TYR A 67 16.974 0.175 6.649 1.00 0.00 O ATOM 0 H TYR A 67 13.930 -3.460 2.964 1.00 0.00 H new ATOM 0 HA TYR A 67 13.418 -2.090 0.485 1.00 0.00 H new ATOM 0 HB2 TYR A 67 13.177 -0.180 1.873 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.530 -1.515 2.805 1.00 0.00 H new ATOM 0 HD1 TYR A 67 13.929 -2.507 4.674 1.00 0.00 H new ATOM 0 HD2 TYR A 67 15.068 1.071 2.658 1.00 0.00 H new ATOM 0 HE1 TYR A 67 15.458 -1.956 6.515 1.00 0.00 H new ATOM 0 HE2 TYR A 67 16.597 1.621 4.499 1.00 0.00 H new ATOM 0 HH TYR A 67 17.425 1.024 6.457 1.00 0.00 H new ATOM 1083 N ASP A 68 15.543 -0.945 -0.137 1.00 0.00 N ATOM 1084 CA ASP A 68 16.824 -0.423 -0.598 1.00 0.00 C ATOM 1085 C ASP A 68 17.482 0.418 0.491 1.00 0.00 C ATOM 1086 O ASP A 68 16.838 1.272 1.102 1.00 0.00 O ATOM 1087 CB ASP A 68 16.632 0.431 -1.854 1.00 0.00 C ATOM 1088 CG ASP A 68 17.934 0.690 -2.586 1.00 0.00 C ATOM 1089 OD1 ASP A 68 19.003 0.610 -1.944 1.00 0.00 O ATOM 1090 OD2 ASP A 68 17.886 0.966 -3.803 1.00 0.00 O ATOM 0 H ASP A 68 14.752 -0.713 -0.737 1.00 0.00 H new ATOM 0 HA ASP A 68 17.469 -1.269 -0.834 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.935 -0.069 -2.526 1.00 0.00 H new ATOM 0 HB3 ASP A 68 16.180 1.383 -1.576 1.00 0.00 H new ATOM 1095 N GLU A 69 18.763 0.169 0.736 1.00 0.00 N ATOM 1096 CA GLU A 69 19.490 0.873 1.785 1.00 0.00 C ATOM 1097 C GLU A 69 19.851 2.286 1.345 1.00 0.00 C ATOM 1098 O GLU A 69 20.465 3.044 2.097 1.00 0.00 O ATOM 1099 CB GLU A 69 20.758 0.103 2.155 1.00 0.00 C ATOM 1100 CG GLU A 69 20.527 -1.388 2.325 1.00 0.00 C ATOM 1101 CD GLU A 69 21.798 -2.141 2.665 1.00 0.00 C ATOM 1102 OE1 GLU A 69 22.495 -2.584 1.727 1.00 0.00 O ATOM 1103 OE2 GLU A 69 22.098 -2.288 3.869 1.00 0.00 O ATOM 0 H GLU A 69 19.319 -0.515 0.223 1.00 0.00 H new ATOM 0 HA GLU A 69 18.843 0.940 2.659 1.00 0.00 H new ATOM 0 HB2 GLU A 69 21.510 0.261 1.382 1.00 0.00 H new ATOM 0 HB3 GLU A 69 21.164 0.509 3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 69 19.791 -1.550 3.113 1.00 0.00 H new ATOM 0 HG3 GLU A 69 20.104 -1.793 1.406 1.00 0.00 H new ATOM 1110 N LYS A 70 19.469 2.635 0.121 1.00 0.00 N ATOM 1111 CA LYS A 70 19.756 3.960 -0.419 1.00 0.00 C ATOM 1112 C LYS A 70 18.960 5.034 0.315 1.00 0.00 C ATOM 1113 O LYS A 70 19.495 5.741 1.169 1.00 0.00 O ATOM 1114 CB LYS A 70 19.447 4.009 -1.918 1.00 0.00 C ATOM 1115 CG LYS A 70 20.381 3.157 -2.764 1.00 0.00 C ATOM 1116 CD LYS A 70 21.821 3.642 -2.679 1.00 0.00 C ATOM 1117 CE LYS A 70 21.984 5.026 -3.288 1.00 0.00 C ATOM 1118 NZ LYS A 70 21.615 5.045 -4.730 1.00 0.00 N ATOM 0 H LYS A 70 18.961 2.020 -0.515 1.00 0.00 H new ATOM 0 HA LYS A 70 20.818 4.158 -0.272 1.00 0.00 H new ATOM 0 HB2 LYS A 70 18.421 3.677 -2.079 1.00 0.00 H new ATOM 0 HB3 LYS A 70 19.505 5.043 -2.258 1.00 0.00 H new ATOM 0 HG2 LYS A 70 20.327 2.120 -2.433 1.00 0.00 H new ATOM 0 HG3 LYS A 70 20.051 3.178 -3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 70 22.137 3.664 -1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 70 22.473 2.938 -3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 70 21.362 5.737 -2.745 1.00 0.00 H new ATOM 0 HE3 LYS A 70 23.017 5.354 -3.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 21.987 5.910 -5.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 22.020 4.212 -5.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 20.579 5.026 -4.824 1.00 0.00 H new ATOM 1132 N GLN A 71 17.677 5.147 -0.016 1.00 0.00 N ATOM 1133 CA GLN A 71 16.803 6.113 0.640 1.00 0.00 C ATOM 1134 C GLN A 71 15.454 5.487 0.978 1.00 0.00 C ATOM 1135 O GLN A 71 14.482 6.193 1.248 1.00 0.00 O ATOM 1136 CB GLN A 71 16.602 7.340 -0.252 1.00 0.00 C ATOM 1137 CG GLN A 71 17.902 8.019 -0.650 1.00 0.00 C ATOM 1138 CD GLN A 71 17.681 9.209 -1.565 1.00 0.00 C ATOM 1139 OE1 GLN A 71 17.513 10.338 -1.104 1.00 0.00 O ATOM 1140 NE2 GLN A 71 17.680 8.962 -2.870 1.00 0.00 N ATOM 0 H GLN A 71 17.221 4.583 -0.733 1.00 0.00 H new ATOM 0 HA GLN A 71 17.280 6.423 1.569 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.067 7.041 -1.153 1.00 0.00 H new ATOM 0 HB3 GLN A 71 15.970 8.059 0.270 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.426 8.348 0.248 1.00 0.00 H new ATOM 0 HG3 GLN A 71 18.547 7.296 -1.149 1.00 0.00 H new ATOM 0 HE21 GLN A 71 17.823 8.011 -3.209 1.00 0.00 H new ATOM 0 HE22 GLN A 71 17.536 9.724 -3.533 1.00 0.00 H new ATOM 1149 N GLN A 72 15.412 4.157 0.973 1.00 0.00 N ATOM 1150 CA GLN A 72 14.215 3.417 1.374 1.00 0.00 C ATOM 1151 C GLN A 72 13.052 3.675 0.415 1.00 0.00 C ATOM 1152 O GLN A 72 11.971 3.107 0.573 1.00 0.00 O ATOM 1153 CB GLN A 72 13.809 3.801 2.799 1.00 0.00 C ATOM 1154 CG GLN A 72 14.976 3.839 3.774 1.00 0.00 C ATOM 1155 CD GLN A 72 14.541 4.115 5.201 1.00 0.00 C ATOM 1156 OE1 GLN A 72 15.278 4.718 5.981 1.00 0.00 O ATOM 1157 NE2 GLN A 72 13.338 3.671 5.552 1.00 0.00 N ATOM 0 H GLN A 72 16.196 3.566 0.695 1.00 0.00 H new ATOM 0 HA GLN A 72 14.454 2.354 1.340 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.330 4.780 2.780 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.067 3.090 3.161 1.00 0.00 H new ATOM 0 HG2 GLN A 72 15.505 2.887 3.738 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.682 4.608 3.459 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.759 3.176 4.874 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.994 3.826 6.500 1.00 0.00 H new ATOM 1166 N HIS A 73 13.282 4.527 -0.580 1.00 0.00 N ATOM 1167 CA HIS A 73 12.266 4.816 -1.589 1.00 0.00 C ATOM 1168 C HIS A 73 12.129 3.647 -2.557 1.00 0.00 C ATOM 1169 O HIS A 73 11.032 3.340 -3.023 1.00 0.00 O ATOM 1170 CB HIS A 73 12.626 6.091 -2.355 1.00 0.00 C ATOM 1171 CG HIS A 73 13.901 5.989 -3.132 1.00 0.00 C ATOM 1172 ND1 HIS A 73 15.128 5.772 -2.540 1.00 0.00 N ATOM 1173 CD2 HIS A 73 14.138 6.072 -4.462 1.00 0.00 C ATOM 1174 CE1 HIS A 73 16.063 5.729 -3.471 1.00 0.00 C ATOM 1175 NE2 HIS A 73 15.489 5.907 -4.646 1.00 0.00 N ATOM 0 H HIS A 73 14.161 5.029 -0.710 1.00 0.00 H new ATOM 0 HA HIS A 73 11.312 4.966 -1.084 1.00 0.00 H new ATOM 0 HB2 HIS A 73 11.813 6.335 -3.039 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.707 6.917 -1.649 1.00 0.00 H new ATOM 0 HD2 HIS A 73 13.402 6.237 -5.235 1.00 0.00 H new ATOM 0 HE1 HIS A 73 17.118 5.574 -3.300 1.00 0.00 H new ATOM 0 HE2 HIS A 73 15.971 5.920 -5.545 1.00 0.00 H new ATOM 1184 N ILE A 74 13.242 2.970 -2.817 1.00 0.00 N ATOM 1185 CA ILE A 74 13.205 1.683 -3.494 1.00 0.00 C ATOM 1186 C ILE A 74 13.139 0.552 -2.479 1.00 0.00 C ATOM 1187 O ILE A 74 13.611 0.690 -1.351 1.00 0.00 O ATOM 1188 CB ILE A 74 14.441 1.464 -4.393 1.00 0.00 C ATOM 1189 CG1 ILE A 74 14.716 2.694 -5.259 1.00 0.00 C ATOM 1190 CG2 ILE A 74 14.244 0.234 -5.268 1.00 0.00 C ATOM 1191 CD1 ILE A 74 13.566 3.074 -6.169 1.00 0.00 C ATOM 0 H ILE A 74 14.178 3.292 -2.569 1.00 0.00 H new ATOM 0 HA ILE A 74 12.313 1.684 -4.121 1.00 0.00 H new ATOM 0 HB ILE A 74 15.306 1.305 -3.749 1.00 0.00 H new ATOM 0 HG12 ILE A 74 14.947 3.539 -4.610 1.00 0.00 H new ATOM 0 HG13 ILE A 74 15.601 2.507 -5.867 1.00 0.00 H new ATOM 0 HG21 ILE A 74 15.122 0.091 -5.897 1.00 0.00 H new ATOM 0 HG22 ILE A 74 14.103 -0.643 -4.636 1.00 0.00 H new ATOM 0 HG23 ILE A 74 13.365 0.373 -5.898 1.00 0.00 H new ATOM 0 HD11 ILE A 74 13.838 3.955 -6.750 1.00 0.00 H new ATOM 0 HD12 ILE A 74 13.348 2.247 -6.844 1.00 0.00 H new ATOM 0 HD13 ILE A 74 12.684 3.294 -5.568 1.00 0.00 H new ATOM 1203 N VAL A 75 12.582 -0.576 -2.895 1.00 0.00 N ATOM 1204 CA VAL A 75 12.668 -1.801 -2.115 1.00 0.00 C ATOM 1205 C VAL A 75 12.533 -3.021 -3.014 1.00 0.00 C ATOM 1206 O VAL A 75 11.495 -3.235 -3.642 1.00 0.00 O ATOM 1207 CB VAL A 75 11.596 -1.851 -1.014 1.00 0.00 C ATOM 1208 CG1 VAL A 75 10.264 -1.353 -1.545 1.00 0.00 C ATOM 1209 CG2 VAL A 75 11.470 -3.260 -0.453 1.00 0.00 C ATOM 0 H VAL A 75 12.065 -0.668 -3.770 1.00 0.00 H new ATOM 0 HA VAL A 75 13.648 -1.810 -1.638 1.00 0.00 H new ATOM 0 HB VAL A 75 11.903 -1.192 -0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.517 -1.396 -0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.371 -0.324 -1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 75 9.946 -1.981 -2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.707 -3.275 0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.188 -3.946 -1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 75 12.425 -3.570 -0.030 1.00 0.00 H new ATOM 1219 N TYR A 76 13.603 -3.800 -3.091 1.00 0.00 N ATOM 1220 CA TYR A 76 13.676 -4.896 -4.042 1.00 0.00 C ATOM 1221 C TYR A 76 13.059 -6.168 -3.473 1.00 0.00 C ATOM 1222 O TYR A 76 13.475 -6.659 -2.423 1.00 0.00 O ATOM 1223 CB TYR A 76 15.128 -5.133 -4.435 1.00 0.00 C ATOM 1224 CG TYR A 76 15.810 -3.873 -4.907 1.00 0.00 C ATOM 1225 CD1 TYR A 76 15.739 -3.482 -6.236 1.00 0.00 C ATOM 1226 CD2 TYR A 76 16.514 -3.071 -4.021 1.00 0.00 C ATOM 1227 CE1 TYR A 76 16.357 -2.324 -6.671 1.00 0.00 C ATOM 1228 CE2 TYR A 76 17.132 -1.913 -4.448 1.00 0.00 C ATOM 1229 CZ TYR A 76 17.054 -1.545 -5.774 1.00 0.00 C ATOM 1230 OH TYR A 76 17.669 -0.391 -6.202 1.00 0.00 O ATOM 0 H TYR A 76 14.431 -3.692 -2.506 1.00 0.00 H new ATOM 0 HA TYR A 76 13.102 -4.624 -4.928 1.00 0.00 H new ATOM 0 HB2 TYR A 76 15.671 -5.539 -3.581 1.00 0.00 H new ATOM 0 HB3 TYR A 76 15.170 -5.883 -5.225 1.00 0.00 H new ATOM 0 HD1 TYR A 76 15.193 -4.091 -6.941 1.00 0.00 H new ATOM 0 HD2 TYR A 76 16.580 -3.357 -2.982 1.00 0.00 H new ATOM 0 HE1 TYR A 76 16.293 -2.032 -7.709 1.00 0.00 H new ATOM 0 HE2 TYR A 76 17.675 -1.298 -3.746 1.00 0.00 H new ATOM 0 HH TYR A 76 17.814 0.205 -5.438 1.00 0.00 H new ATOM 1240 N CYS A 77 12.051 -6.686 -4.169 1.00 0.00 N ATOM 1241 CA CYS A 77 11.311 -7.851 -3.696 1.00 0.00 C ATOM 1242 C CYS A 77 10.821 -8.699 -4.867 1.00 0.00 C ATOM 1243 O CYS A 77 9.643 -8.658 -5.225 1.00 0.00 O ATOM 1244 CB CYS A 77 10.124 -7.412 -2.833 1.00 0.00 C ATOM 1245 SG CYS A 77 10.589 -6.504 -1.341 1.00 0.00 S ATOM 0 H CYS A 77 11.728 -6.317 -5.063 1.00 0.00 H new ATOM 0 HA CYS A 77 11.985 -8.458 -3.091 1.00 0.00 H new ATOM 0 HB2 CYS A 77 9.464 -6.787 -3.434 1.00 0.00 H new ATOM 0 HB3 CYS A 77 9.553 -8.294 -2.545 1.00 0.00 H new ATOM 0 HG CYS A 77 11.884 -6.414 -1.273 1.00 0.00 H new ATOM 1251 N SER A 78 11.730 -9.468 -5.457 1.00 0.00 N ATOM 1252 CA SER A 78 11.390 -10.327 -6.586 1.00 0.00 C ATOM 1253 C SER A 78 11.156 -11.763 -6.126 1.00 0.00 C ATOM 1254 O SER A 78 10.681 -12.602 -6.892 1.00 0.00 O ATOM 1255 CB SER A 78 12.501 -10.290 -7.637 1.00 0.00 C ATOM 1256 OG SER A 78 12.188 -11.124 -8.739 1.00 0.00 O ATOM 0 H SER A 78 12.708 -9.514 -5.172 1.00 0.00 H new ATOM 0 HA SER A 78 10.468 -9.952 -7.030 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.646 -9.266 -7.981 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.441 -10.612 -7.189 1.00 0.00 H new ATOM 0 HG SER A 78 11.504 -11.774 -8.474 1.00 0.00 H new ATOM 1262 N ASN A 79 11.486 -12.034 -4.867 1.00 0.00 N ATOM 1263 CA ASN A 79 11.289 -13.357 -4.289 1.00 0.00 C ATOM 1264 C ASN A 79 10.891 -13.252 -2.821 1.00 0.00 C ATOM 1265 O ASN A 79 11.061 -14.196 -2.051 1.00 0.00 O ATOM 1266 CB ASN A 79 12.565 -14.194 -4.427 1.00 0.00 C ATOM 1267 CG ASN A 79 12.965 -14.408 -5.873 1.00 0.00 C ATOM 1268 OD1 ASN A 79 13.716 -13.619 -6.445 1.00 0.00 O ATOM 1269 ND2 ASN A 79 12.463 -15.481 -6.474 1.00 0.00 N ATOM 0 H ASN A 79 11.892 -11.352 -4.227 1.00 0.00 H new ATOM 0 HA ASN A 79 10.482 -13.848 -4.833 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.379 -13.699 -3.898 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.415 -15.161 -3.948 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.697 -15.677 -7.447 1.00 0.00 H new ATOM 0 HD22 ASN A 79 11.844 -16.109 -5.962 1.00 0.00 H new ATOM 1276 N ASP A 80 10.369 -12.091 -2.442 1.00 0.00 N ATOM 1277 CA ASP A 80 9.997 -11.832 -1.056 1.00 0.00 C ATOM 1278 C ASP A 80 8.488 -11.957 -0.858 1.00 0.00 C ATOM 1279 O ASP A 80 7.748 -12.273 -1.794 1.00 0.00 O ATOM 1280 CB ASP A 80 10.472 -10.443 -0.634 1.00 0.00 C ATOM 1281 CG ASP A 80 11.981 -10.316 -0.687 1.00 0.00 C ATOM 1282 OD1 ASP A 80 12.646 -10.761 0.273 1.00 0.00 O ATOM 1283 OD2 ASP A 80 12.500 -9.777 -1.685 1.00 0.00 O ATOM 0 H ASP A 80 10.193 -11.312 -3.077 1.00 0.00 H new ATOM 0 HA ASP A 80 10.483 -12.580 -0.429 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.022 -9.693 -1.285 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.126 -10.234 0.378 1.00 0.00 H new ATOM 1288 N LEU A 81 8.038 -11.699 0.363 1.00 0.00 N ATOM 1289 CA LEU A 81 6.614 -11.714 0.670 1.00 0.00 C ATOM 1290 C LEU A 81 5.868 -10.707 -0.201 1.00 0.00 C ATOM 1291 O LEU A 81 4.880 -11.044 -0.862 1.00 0.00 O ATOM 1292 CB LEU A 81 6.389 -11.401 2.154 1.00 0.00 C ATOM 1293 CG LEU A 81 6.811 -12.506 3.132 1.00 0.00 C ATOM 1294 CD1 LEU A 81 6.139 -13.825 2.779 1.00 0.00 C ATOM 1295 CD2 LEU A 81 8.324 -12.663 3.149 1.00 0.00 C ATOM 0 H LEU A 81 8.639 -11.477 1.157 1.00 0.00 H new ATOM 0 HA LEU A 81 6.225 -12.710 0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.935 -10.491 2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.331 -11.189 2.307 1.00 0.00 H new ATOM 0 HG LEU A 81 6.487 -12.215 4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.453 -14.594 3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.057 -13.707 2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.426 -14.121 1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.600 -13.452 3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.674 -12.925 2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.784 -11.725 3.460 1.00 0.00 H new ATOM 1307 N LEU A 82 6.370 -9.479 -0.230 1.00 0.00 N ATOM 1308 CA LEU A 82 5.865 -8.476 -1.157 1.00 0.00 C ATOM 1309 C LEU A 82 6.042 -8.953 -2.596 1.00 0.00 C ATOM 1310 O LEU A 82 5.360 -8.486 -3.506 1.00 0.00 O ATOM 1311 CB LEU A 82 6.588 -7.145 -0.947 1.00 0.00 C ATOM 1312 CG LEU A 82 5.722 -5.898 -1.146 1.00 0.00 C ATOM 1313 CD1 LEU A 82 5.413 -5.689 -2.620 1.00 0.00 C ATOM 1314 CD2 LEU A 82 4.435 -6.009 -0.341 1.00 0.00 C ATOM 0 H LEU A 82 7.124 -9.155 0.376 1.00 0.00 H new ATOM 0 HA LEU A 82 4.802 -8.327 -0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.997 -7.127 0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.433 -7.095 -1.634 1.00 0.00 H new ATOM 0 HG LEU A 82 6.280 -5.033 -0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.797 -4.798 -2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.344 -5.563 -3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.876 -6.556 -3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.832 -5.114 -0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.875 -6.885 -0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.675 -6.108 0.718 1.00 0.00 H new ATOM 1326 N GLY A 83 6.950 -9.906 -2.783 1.00 0.00 N ATOM 1327 CA GLY A 83 7.104 -10.537 -4.079 1.00 0.00 C ATOM 1328 C GLY A 83 5.815 -11.164 -4.571 1.00 0.00 C ATOM 1329 O GLY A 83 5.423 -10.964 -5.721 1.00 0.00 O ATOM 0 H GLY A 83 7.581 -10.252 -2.060 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.444 -9.797 -4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.878 -11.303 -4.018 1.00 0.00 H new ATOM 1333 N ASP A 84 5.144 -11.912 -3.697 1.00 0.00 N ATOM 1334 CA ASP A 84 3.845 -12.491 -4.039 1.00 0.00 C ATOM 1335 C ASP A 84 2.855 -11.399 -4.426 1.00 0.00 C ATOM 1336 O ASP A 84 2.023 -11.592 -5.312 1.00 0.00 O ATOM 1337 CB ASP A 84 3.279 -13.310 -2.876 1.00 0.00 C ATOM 1338 CG ASP A 84 4.338 -14.150 -2.186 1.00 0.00 C ATOM 1339 OD1 ASP A 84 4.971 -13.644 -1.236 1.00 0.00 O ATOM 1340 OD2 ASP A 84 4.535 -15.312 -2.599 1.00 0.00 O ATOM 0 H ASP A 84 5.473 -12.130 -2.757 1.00 0.00 H new ATOM 0 HA ASP A 84 3.996 -13.155 -4.890 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.824 -12.637 -2.150 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.488 -13.962 -3.246 1.00 0.00 H new ATOM 1345 N LEU A 85 2.961 -10.245 -3.770 1.00 0.00 N ATOM 1346 CA LEU A 85 2.142 -9.091 -4.129 1.00 0.00 C ATOM 1347 C LEU A 85 2.389 -8.686 -5.573 1.00 0.00 C ATOM 1348 O LEU A 85 1.591 -8.980 -6.463 1.00 0.00 O ATOM 1349 CB LEU A 85 2.452 -7.899 -3.221 1.00 0.00 C ATOM 1350 CG LEU A 85 1.932 -7.977 -1.782 1.00 0.00 C ATOM 1351 CD1 LEU A 85 0.957 -6.840 -1.523 1.00 0.00 C ATOM 1352 CD2 LEU A 85 1.277 -9.319 -1.488 1.00 0.00 C ATOM 0 H LEU A 85 3.602 -10.085 -2.992 1.00 0.00 H new ATOM 0 HA LEU A 85 1.098 -9.378 -4.004 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.534 -7.771 -3.185 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.040 -7.002 -3.684 1.00 0.00 H new ATOM 0 HG LEU A 85 2.786 -7.880 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.591 -6.901 -0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.463 -5.886 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.117 -6.917 -2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.922 -9.333 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.435 -9.469 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.004 -10.118 -1.632 1.00 0.00 H new ATOM 1364 N PHE A 86 3.498 -7.990 -5.784 1.00 0.00 N ATOM 1365 CA PHE A 86 3.810 -7.425 -7.090 1.00 0.00 C ATOM 1366 C PHE A 86 4.532 -8.442 -7.968 1.00 0.00 C ATOM 1367 O PHE A 86 4.015 -8.863 -9.003 1.00 0.00 O ATOM 1368 CB PHE A 86 4.678 -6.173 -6.940 1.00 0.00 C ATOM 1369 CG PHE A 86 3.953 -4.990 -6.365 1.00 0.00 C ATOM 1370 CD1 PHE A 86 3.309 -5.081 -5.143 1.00 0.00 C ATOM 1371 CD2 PHE A 86 3.921 -3.784 -7.048 1.00 0.00 C ATOM 1372 CE1 PHE A 86 2.646 -3.992 -4.612 1.00 0.00 C ATOM 1373 CE2 PHE A 86 3.260 -2.691 -6.520 1.00 0.00 C ATOM 1374 CZ PHE A 86 2.623 -2.797 -5.301 1.00 0.00 C ATOM 0 H PHE A 86 4.198 -7.803 -5.066 1.00 0.00 H new ATOM 0 HA PHE A 86 2.868 -7.155 -7.568 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.530 -6.409 -6.302 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.077 -5.901 -7.917 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.325 -6.014 -4.599 1.00 0.00 H new ATOM 0 HD2 PHE A 86 4.418 -3.698 -8.003 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.146 -4.076 -3.658 1.00 0.00 H new ATOM 0 HE2 PHE A 86 3.242 -1.756 -7.061 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.106 -1.944 -4.886 1.00 0.00 H new ATOM 1384 N GLY A 87 5.739 -8.813 -7.555 1.00 0.00 N ATOM 1385 CA GLY A 87 6.575 -9.673 -8.371 1.00 0.00 C ATOM 1386 C GLY A 87 7.799 -8.949 -8.896 1.00 0.00 C ATOM 1387 O GLY A 87 8.827 -9.572 -9.167 1.00 0.00 O ATOM 0 H GLY A 87 6.154 -8.532 -6.667 1.00 0.00 H new ATOM 0 HA2 GLY A 87 6.889 -10.536 -7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.992 -10.054 -9.210 1.00 0.00 H new ATOM 1391 N VAL A 88 7.686 -7.630 -9.034 1.00 0.00 N ATOM 1392 CA VAL A 88 8.779 -6.807 -9.523 1.00 0.00 C ATOM 1393 C VAL A 88 10.085 -7.110 -8.797 1.00 0.00 C ATOM 1394 O VAL A 88 10.083 -7.422 -7.606 1.00 0.00 O ATOM 1395 CB VAL A 88 8.478 -5.310 -9.349 1.00 0.00 C ATOM 1396 CG1 VAL A 88 9.083 -4.540 -10.496 1.00 0.00 C ATOM 1397 CG2 VAL A 88 6.983 -5.046 -9.243 1.00 0.00 C ATOM 0 H VAL A 88 6.838 -7.108 -8.811 1.00 0.00 H new ATOM 0 HA VAL A 88 8.884 -7.046 -10.581 1.00 0.00 H new ATOM 0 HB VAL A 88 8.926 -4.973 -8.414 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.870 -3.478 -10.374 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.162 -4.695 -10.509 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.655 -4.890 -11.435 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.810 -3.977 -9.121 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.487 -5.393 -10.150 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.579 -5.579 -8.382 1.00 0.00 H new ATOM 1407 N PRO A 89 11.223 -6.945 -9.493 1.00 0.00 N ATOM 1408 CA PRO A 89 12.527 -6.819 -8.842 1.00 0.00 C ATOM 1409 C PRO A 89 12.567 -5.666 -7.844 1.00 0.00 C ATOM 1410 O PRO A 89 13.221 -5.756 -6.806 1.00 0.00 O ATOM 1411 CB PRO A 89 13.498 -6.559 -10.002 1.00 0.00 C ATOM 1412 CG PRO A 89 12.641 -6.128 -11.142 1.00 0.00 C ATOM 1413 CD PRO A 89 11.329 -6.832 -10.957 1.00 0.00 C ATOM 0 HA PRO A 89 12.774 -7.709 -8.263 1.00 0.00 H new ATOM 0 HB2 PRO A 89 14.224 -5.789 -9.742 1.00 0.00 H new ATOM 0 HB3 PRO A 89 14.062 -7.458 -10.252 1.00 0.00 H new ATOM 0 HG2 PRO A 89 12.507 -5.046 -11.143 1.00 0.00 H new ATOM 0 HG3 PRO A 89 13.096 -6.394 -12.096 1.00 0.00 H new ATOM 0 HD2 PRO A 89 10.501 -6.262 -11.380 1.00 0.00 H new ATOM 0 HD3 PRO A 89 11.323 -7.809 -11.440 1.00 0.00 H new ATOM 1421 N SER A 90 11.868 -4.581 -8.166 1.00 0.00 N ATOM 1422 CA SER A 90 11.861 -3.391 -7.317 1.00 0.00 C ATOM 1423 C SER A 90 10.520 -2.667 -7.402 1.00 0.00 C ATOM 1424 O SER A 90 9.897 -2.633 -8.461 1.00 0.00 O ATOM 1425 CB SER A 90 12.978 -2.439 -7.739 1.00 0.00 C ATOM 1426 OG SER A 90 12.845 -2.062 -9.097 1.00 0.00 O ATOM 0 H SER A 90 11.299 -4.500 -9.009 1.00 0.00 H new ATOM 0 HA SER A 90 12.022 -3.711 -6.287 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.959 -1.550 -7.109 1.00 0.00 H new ATOM 0 HB3 SER A 90 13.945 -2.918 -7.585 1.00 0.00 H new ATOM 0 HG SER A 90 13.572 -1.451 -9.340 1.00 0.00 H new ATOM 1432 N PHE A 91 10.102 -2.041 -6.303 1.00 0.00 N ATOM 1433 CA PHE A 91 9.007 -1.076 -6.365 1.00 0.00 C ATOM 1434 C PHE A 91 9.317 0.170 -5.542 1.00 0.00 C ATOM 1435 O PHE A 91 10.037 0.109 -4.543 1.00 0.00 O ATOM 1436 CB PHE A 91 7.683 -1.708 -5.916 1.00 0.00 C ATOM 1437 CG PHE A 91 7.503 -1.854 -4.426 1.00 0.00 C ATOM 1438 CD1 PHE A 91 6.993 -0.811 -3.663 1.00 0.00 C ATOM 1439 CD2 PHE A 91 7.808 -3.048 -3.792 1.00 0.00 C ATOM 1440 CE1 PHE A 91 6.794 -0.955 -2.308 1.00 0.00 C ATOM 1441 CE2 PHE A 91 7.616 -3.196 -2.431 1.00 0.00 C ATOM 1442 CZ PHE A 91 7.106 -2.148 -1.689 1.00 0.00 C ATOM 0 H PHE A 91 10.498 -2.181 -5.373 1.00 0.00 H new ATOM 0 HA PHE A 91 8.900 -0.772 -7.406 1.00 0.00 H new ATOM 0 HB2 PHE A 91 6.863 -1.105 -6.306 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.599 -2.694 -6.372 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.749 0.127 -4.140 1.00 0.00 H new ATOM 0 HD2 PHE A 91 8.200 -3.873 -4.368 1.00 0.00 H new ATOM 0 HE1 PHE A 91 6.394 -0.135 -1.730 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.864 -4.130 -1.948 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.952 -2.262 -0.626 1.00 0.00 H new ATOM 1452 N SER A 92 8.786 1.303 -5.993 1.00 0.00 N ATOM 1453 CA SER A 92 9.101 2.592 -5.391 1.00 0.00 C ATOM 1454 C SER A 92 7.909 3.137 -4.613 1.00 0.00 C ATOM 1455 O SER A 92 6.819 3.309 -5.162 1.00 0.00 O ATOM 1456 CB SER A 92 9.514 3.591 -6.474 1.00 0.00 C ATOM 1457 OG SER A 92 10.646 3.130 -7.190 1.00 0.00 O ATOM 0 H SER A 92 8.134 1.353 -6.776 1.00 0.00 H new ATOM 0 HA SER A 92 9.929 2.449 -4.697 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.684 3.749 -7.163 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.737 4.555 -6.017 1.00 0.00 H new ATOM 0 HG SER A 92 10.888 3.786 -7.877 1.00 0.00 H new ATOM 1463 N VAL A 93 8.130 3.416 -3.333 1.00 0.00 N ATOM 1464 CA VAL A 93 7.094 3.989 -2.481 1.00 0.00 C ATOM 1465 C VAL A 93 6.826 5.445 -2.842 1.00 0.00 C ATOM 1466 O VAL A 93 5.673 5.862 -2.945 1.00 0.00 O ATOM 1467 CB VAL A 93 7.469 3.909 -0.988 1.00 0.00 C ATOM 1468 CG1 VAL A 93 6.697 2.794 -0.300 1.00 0.00 C ATOM 1469 CG2 VAL A 93 8.965 3.719 -0.816 1.00 0.00 C ATOM 0 H VAL A 93 9.020 3.254 -2.861 1.00 0.00 H new ATOM 0 HA VAL A 93 6.194 3.398 -2.652 1.00 0.00 H new ATOM 0 HB VAL A 93 7.194 4.853 -0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.976 2.754 0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.627 2.986 -0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.933 1.841 -0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.205 3.665 0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.273 2.795 -1.305 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.493 4.560 -1.265 1.00 0.00 H new ATOM 1479 N LYS A 94 7.896 6.216 -3.020 1.00 0.00 N ATOM 1480 CA LYS A 94 7.773 7.644 -3.304 1.00 0.00 C ATOM 1481 C LYS A 94 6.795 7.891 -4.447 1.00 0.00 C ATOM 1482 O LYS A 94 6.106 8.910 -4.480 1.00 0.00 O ATOM 1483 CB LYS A 94 9.137 8.242 -3.645 1.00 0.00 C ATOM 1484 CG LYS A 94 10.094 8.294 -2.463 1.00 0.00 C ATOM 1485 CD LYS A 94 9.579 9.210 -1.365 1.00 0.00 C ATOM 1486 CE LYS A 94 10.524 9.242 -0.176 1.00 0.00 C ATOM 1487 NZ LYS A 94 11.881 9.721 -0.557 1.00 0.00 N ATOM 0 H LYS A 94 8.857 5.877 -2.973 1.00 0.00 H new ATOM 0 HA LYS A 94 7.387 8.131 -2.409 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.592 7.656 -4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.995 9.251 -4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.234 7.290 -2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.070 8.642 -2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.455 10.218 -1.760 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.595 8.872 -1.040 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.113 9.892 0.596 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.599 8.244 0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.438 9.906 0.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.358 8.995 -1.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.797 10.598 -1.110 1.00 0.00 H new ATOM 1501 N GLU A 95 6.716 6.935 -5.366 1.00 0.00 N ATOM 1502 CA GLU A 95 5.695 6.955 -6.406 1.00 0.00 C ATOM 1503 C GLU A 95 4.414 6.296 -5.905 1.00 0.00 C ATOM 1504 O GLU A 95 3.994 5.262 -6.422 1.00 0.00 O ATOM 1505 CB GLU A 95 6.201 6.238 -7.659 1.00 0.00 C ATOM 1506 CG GLU A 95 7.489 6.823 -8.218 1.00 0.00 C ATOM 1507 CD GLU A 95 7.332 8.267 -8.656 1.00 0.00 C ATOM 1508 OE1 GLU A 95 7.553 9.167 -7.819 1.00 0.00 O ATOM 1509 OE2 GLU A 95 6.989 8.496 -9.835 1.00 0.00 O ATOM 0 H GLU A 95 7.348 6.136 -5.412 1.00 0.00 H new ATOM 0 HA GLU A 95 5.478 7.993 -6.659 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.361 5.186 -7.425 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.429 6.280 -8.428 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.271 6.760 -7.461 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.818 6.223 -9.067 1.00 0.00 H new ATOM 1516 N HIS A 96 3.815 6.887 -4.875 1.00 0.00 N ATOM 1517 CA HIS A 96 2.685 6.271 -4.185 1.00 0.00 C ATOM 1518 C HIS A 96 1.504 6.067 -5.124 1.00 0.00 C ATOM 1519 O HIS A 96 0.907 4.991 -5.154 1.00 0.00 O ATOM 1520 CB HIS A 96 2.256 7.128 -2.992 1.00 0.00 C ATOM 1521 CG HIS A 96 3.245 7.139 -1.869 1.00 0.00 C ATOM 1522 ND1 HIS A 96 4.244 8.084 -1.755 1.00 0.00 N ATOM 1523 CD2 HIS A 96 3.386 6.315 -0.804 1.00 0.00 C ATOM 1524 CE1 HIS A 96 4.955 7.840 -0.667 1.00 0.00 C ATOM 1525 NE2 HIS A 96 4.455 6.773 -0.073 1.00 0.00 N ATOM 0 H HIS A 96 4.094 7.793 -4.499 1.00 0.00 H new ATOM 0 HA HIS A 96 3.010 5.294 -3.828 1.00 0.00 H new ATOM 0 HB2 HIS A 96 2.094 8.151 -3.331 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.300 6.761 -2.618 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.772 5.457 -0.572 1.00 0.00 H new ATOM 0 HE1 HIS A 96 5.801 8.416 -0.323 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.806 6.356 0.789 1.00 0.00 H new ATOM 1534 N ARG A 97 1.159 7.105 -5.877 1.00 0.00 N ATOM 1535 CA ARG A 97 0.017 7.042 -6.777 1.00 0.00 C ATOM 1536 C ARG A 97 0.127 5.843 -7.713 1.00 0.00 C ATOM 1537 O ARG A 97 -0.843 5.116 -7.923 1.00 0.00 O ATOM 1538 CB ARG A 97 -0.095 8.333 -7.586 1.00 0.00 C ATOM 1539 CG ARG A 97 1.191 8.710 -8.292 1.00 0.00 C ATOM 1540 CD ARG A 97 1.040 10.000 -9.080 1.00 0.00 C ATOM 1541 NE ARG A 97 2.279 10.377 -9.758 1.00 0.00 N ATOM 1542 CZ ARG A 97 2.381 11.410 -10.588 1.00 0.00 C ATOM 1543 NH1 ARG A 97 1.323 12.166 -10.845 1.00 0.00 N ATOM 1544 NH2 ARG A 97 3.543 11.687 -11.163 1.00 0.00 N ATOM 0 H ARG A 97 1.653 7.997 -5.881 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.883 6.925 -6.174 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -0.889 8.223 -8.325 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.389 9.146 -6.922 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.990 8.822 -7.559 1.00 0.00 H new ATOM 0 HG3 ARG A 97 1.487 7.905 -8.965 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.245 9.884 -9.816 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.737 10.802 -8.407 1.00 0.00 H new ATOM 0 HE ARG A 97 3.113 9.815 -9.584 1.00 0.00 H new ATOM 0 HH11 ARG A 97 0.427 11.956 -10.405 1.00 0.00 H new ATOM 0 HH12 ARG A 97 1.405 12.958 -11.482 1.00 0.00 H new ATOM 0 HH21 ARG A 97 4.359 11.107 -10.968 1.00 0.00 H new ATOM 0 HH22 ARG A 97 3.621 12.480 -11.800 1.00 0.00 H new ATOM 1558 N LYS A 98 1.318 5.642 -8.271 1.00 0.00 N ATOM 1559 CA LYS A 98 1.548 4.556 -9.215 1.00 0.00 C ATOM 1560 C LYS A 98 1.700 3.223 -8.491 1.00 0.00 C ATOM 1561 O LYS A 98 1.304 2.176 -9.007 1.00 0.00 O ATOM 1562 CB LYS A 98 2.795 4.835 -10.055 1.00 0.00 C ATOM 1563 CG LYS A 98 2.716 6.121 -10.858 1.00 0.00 C ATOM 1564 CD LYS A 98 3.966 6.332 -11.699 1.00 0.00 C ATOM 1565 CE LYS A 98 3.880 7.608 -12.519 1.00 0.00 C ATOM 1566 NZ LYS A 98 3.732 8.813 -11.658 1.00 0.00 N ATOM 0 H LYS A 98 2.138 6.219 -8.084 1.00 0.00 H new ATOM 0 HA LYS A 98 0.680 4.495 -9.872 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.663 4.881 -9.397 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.957 4.001 -10.737 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.841 6.093 -11.507 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.585 6.966 -10.182 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.840 6.375 -11.049 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.106 5.480 -12.364 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.777 7.707 -13.131 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.033 7.544 -13.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.360 9.566 -12.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.746 9.143 -11.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.986 8.573 -10.678 1.00 0.00 H new ATOM 1580 N ILE A 99 2.299 3.265 -7.309 1.00 0.00 N ATOM 1581 CA ILE A 99 2.672 2.048 -6.597 1.00 0.00 C ATOM 1582 C ILE A 99 1.435 1.353 -6.025 1.00 0.00 C ATOM 1583 O ILE A 99 1.353 0.121 -6.004 1.00 0.00 O ATOM 1584 CB ILE A 99 3.710 2.347 -5.481 1.00 0.00 C ATOM 1585 CG1 ILE A 99 4.523 1.092 -5.144 1.00 0.00 C ATOM 1586 CG2 ILE A 99 3.048 2.900 -4.229 1.00 0.00 C ATOM 1587 CD1 ILE A 99 3.809 0.120 -4.230 1.00 0.00 C ATOM 0 H ILE A 99 2.538 4.129 -6.822 1.00 0.00 H new ATOM 0 HA ILE A 99 3.140 1.371 -7.311 1.00 0.00 H new ATOM 0 HB ILE A 99 4.386 3.111 -5.864 1.00 0.00 H new ATOM 0 HG12 ILE A 99 4.781 0.580 -6.071 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.460 1.394 -4.675 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.808 3.096 -3.472 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.529 3.827 -4.471 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.332 2.173 -3.845 1.00 0.00 H new ATOM 0 HD11 ILE A 99 4.451 -0.740 -4.040 1.00 0.00 H new ATOM 0 HD12 ILE A 99 3.575 0.613 -3.286 1.00 0.00 H new ATOM 0 HD13 ILE A 99 2.886 -0.214 -4.704 1.00 0.00 H new ATOM 1599 N TYR A 100 0.462 2.144 -5.594 1.00 0.00 N ATOM 1600 CA TYR A 100 -0.775 1.599 -5.050 1.00 0.00 C ATOM 1601 C TYR A 100 -1.788 1.310 -6.155 1.00 0.00 C ATOM 1602 O TYR A 100 -2.559 0.354 -6.064 1.00 0.00 O ATOM 1603 CB TYR A 100 -1.368 2.558 -4.019 1.00 0.00 C ATOM 1604 CG TYR A 100 -0.582 2.589 -2.729 1.00 0.00 C ATOM 1605 CD1 TYR A 100 0.516 1.759 -2.554 1.00 0.00 C ATOM 1606 CD2 TYR A 100 -0.933 3.437 -1.689 1.00 0.00 C ATOM 1607 CE1 TYR A 100 1.244 1.770 -1.388 1.00 0.00 C ATOM 1608 CE2 TYR A 100 -0.208 3.457 -0.513 1.00 0.00 C ATOM 1609 CZ TYR A 100 0.880 2.622 -0.369 1.00 0.00 C ATOM 1610 OH TYR A 100 1.609 2.639 0.798 1.00 0.00 O ATOM 0 H TYR A 100 0.505 3.163 -5.610 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.539 0.655 -4.559 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -1.404 3.562 -4.442 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -2.396 2.265 -3.806 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.805 1.090 -3.351 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.785 4.091 -1.800 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.095 1.115 -1.272 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.492 4.123 0.289 1.00 0.00 H new ATOM 0 HH TYR A 100 2.420 3.175 0.670 1.00 0.00 H new ATOM 1620 N THR A 101 -1.778 2.130 -7.201 1.00 0.00 N ATOM 1621 CA THR A 101 -2.671 1.915 -8.332 1.00 0.00 C ATOM 1622 C THR A 101 -2.327 0.618 -9.057 1.00 0.00 C ATOM 1623 O THR A 101 -3.178 0.027 -9.721 1.00 0.00 O ATOM 1624 CB THR A 101 -2.626 3.085 -9.335 1.00 0.00 C ATOM 1625 OG1 THR A 101 -3.736 3.000 -10.236 1.00 0.00 O ATOM 1626 CG2 THR A 101 -1.331 3.072 -10.127 1.00 0.00 C ATOM 0 H THR A 101 -1.167 2.942 -7.288 1.00 0.00 H new ATOM 0 HA THR A 101 -3.680 1.850 -7.925 1.00 0.00 H new ATOM 0 HB THR A 101 -2.681 4.016 -8.771 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.701 3.747 -10.869 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.324 3.907 -10.827 1.00 0.00 H new ATOM 0 HG22 THR A 101 -0.486 3.164 -9.444 1.00 0.00 H new ATOM 0 HG23 THR A 101 -1.251 2.135 -10.679 1.00 0.00 H new ATOM 1634 N MET A 102 -1.079 0.174 -8.920 1.00 0.00 N ATOM 1635 CA MET A 102 -0.659 -1.091 -9.512 1.00 0.00 C ATOM 1636 C MET A 102 -0.766 -2.236 -8.508 1.00 0.00 C ATOM 1637 O MET A 102 -0.805 -3.403 -8.898 1.00 0.00 O ATOM 1638 CB MET A 102 0.767 -0.996 -10.065 1.00 0.00 C ATOM 1639 CG MET A 102 1.831 -0.738 -9.012 1.00 0.00 C ATOM 1640 SD MET A 102 3.498 -0.774 -9.703 1.00 0.00 S ATOM 1641 CE MET A 102 4.457 -0.137 -8.333 1.00 0.00 C ATOM 0 H MET A 102 -0.348 0.668 -8.408 1.00 0.00 H new ATOM 0 HA MET A 102 -1.334 -1.303 -10.341 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.005 -1.924 -10.585 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.804 -0.197 -10.806 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.653 0.232 -8.548 1.00 0.00 H new ATOM 0 HG3 MET A 102 1.750 -1.487 -8.225 1.00 0.00 H new ATOM 0 HE1 MET A 102 5.375 -0.716 -8.231 1.00 0.00 H new ATOM 0 HE2 MET A 102 4.706 0.908 -8.518 1.00 0.00 H new ATOM 0 HE3 MET A 102 3.875 -0.214 -7.415 1.00 0.00 H new ATOM 1651 N ILE A 103 -0.885 -1.903 -7.222 1.00 0.00 N ATOM 1652 CA ILE A 103 -1.405 -2.861 -6.247 1.00 0.00 C ATOM 1653 C ILE A 103 -2.738 -3.435 -6.719 1.00 0.00 C ATOM 1654 O ILE A 103 -2.892 -4.651 -6.848 1.00 0.00 O ATOM 1655 CB ILE A 103 -1.610 -2.229 -4.853 1.00 0.00 C ATOM 1656 CG1 ILE A 103 -0.265 -1.843 -4.236 1.00 0.00 C ATOM 1657 CG2 ILE A 103 -2.362 -3.194 -3.942 1.00 0.00 C ATOM 1658 CD1 ILE A 103 -0.361 -1.398 -2.791 1.00 0.00 C ATOM 0 H ILE A 103 -0.633 -0.993 -6.836 1.00 0.00 H new ATOM 0 HA ILE A 103 -0.658 -3.651 -6.163 1.00 0.00 H new ATOM 0 HB ILE A 103 -2.206 -1.323 -4.965 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.412 -2.695 -4.300 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.178 -1.040 -4.825 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -2.500 -2.737 -2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -3.335 -3.421 -4.377 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.789 -4.115 -3.835 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.632 -1.141 -2.423 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.011 -0.526 -2.721 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -0.773 -2.207 -2.188 1.00 0.00 H new ATOM 1670 N TYR A 104 -3.705 -2.553 -6.951 1.00 0.00 N ATOM 1671 CA TYR A 104 -5.061 -2.972 -7.286 1.00 0.00 C ATOM 1672 C TYR A 104 -5.241 -3.096 -8.796 1.00 0.00 C ATOM 1673 O TYR A 104 -4.835 -2.214 -9.552 1.00 0.00 O ATOM 1674 CB TYR A 104 -6.077 -1.980 -6.720 1.00 0.00 C ATOM 1675 CG TYR A 104 -5.912 -1.726 -5.239 1.00 0.00 C ATOM 1676 CD1 TYR A 104 -6.444 -2.600 -4.300 1.00 0.00 C ATOM 1677 CD2 TYR A 104 -5.221 -0.612 -4.780 1.00 0.00 C ATOM 1678 CE1 TYR A 104 -6.293 -2.372 -2.947 1.00 0.00 C ATOM 1679 CE2 TYR A 104 -5.065 -0.377 -3.427 1.00 0.00 C ATOM 1680 CZ TYR A 104 -5.603 -1.258 -2.515 1.00 0.00 C ATOM 1681 OH TYR A 104 -5.451 -1.028 -1.167 1.00 0.00 O ATOM 0 H TYR A 104 -3.574 -1.542 -6.913 1.00 0.00 H new ATOM 0 HA TYR A 104 -5.230 -3.952 -6.839 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.986 -1.035 -7.255 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -7.083 -2.356 -6.906 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -6.985 -3.473 -4.634 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -4.799 0.082 -5.492 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.713 -3.062 -2.230 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.524 0.493 -3.086 1.00 0.00 H new ATOM 0 HH TYR A 104 -4.611 -0.549 -1.010 1.00 0.00 H new