USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=28 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 Set 1.1: A 71 GLN : amide:sc= 0 X(o=-3.6,f=-3.6) USER MOD Set 1.2: A 73 HIS : no HD1:sc= -2.46 K(o=-3.6,f=-3!) USER MOD Set 1.3: A 92 SER OG : rot 170:sc= -1.18 USER MOD Single : A 26 THR OG1 : rot 100:sc= -1.16 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -171:sc= -0.958 (180deg=-1.16) USER MOD Single : A 39 LYS NZ :NH3+ 141:sc= -1.88! (180deg=-4.53!) USER MOD Single : A 40 SER OG : rot 170:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= -2.85! (180deg=-3.2!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -28:sc= -3.07! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 150:sc= -0.395 (180deg=-1.31!) USER MOD Single : A 51 LYS NZ :NH3+ 174:sc= 0.295 (180deg=0.271) USER MOD Single : A 56 TYR OH : rot 180:sc=-0.00373 USER MOD Single : A 59 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.14) USER MOD Single : A 60 TYR OH : rot 0:sc= -2.99! USER MOD Single : A 62 MET CE :methyl 159:sc= -0.178 (180deg=-0.732) USER MOD Single : A 63 THR OG1 : rot 11:sc= -1.52! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 133:sc= -0.0164 (180deg=-0.326) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0.07) USER MOD Single : A 76 TYR OH : rot 171:sc= 0.724 USER MOD Single : A 77 CYS SG : rot 55:sc= 0.647 USER MOD Single : A 78 SER OG : rot -36:sc= 0.864 USER MOD Single : A 79 ASN : amide:sc= -0.0769 K(o=-0.077,f=-0.65) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 166:sc= -0.0262 (180deg=-0.257) USER MOD Single : A 96 HIS : no HE2:sc= 0.159 K(o=0.16,f=-1.5) USER MOD Single : A 98 LYS NZ :NH3+ 166:sc= -0.0352 (180deg=-0.288) USER MOD Single : A 100 TYR OH : rot -113:sc= -0.262 USER MOD Single : A 101 THR OG1 : rot 70:sc= 1.27 USER MOD Single : A 102 MET CE :methyl 146:sc= -7.76! (180deg=-11.2!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 347 N THR A 26 -11.329 2.396 -0.413 1.00 0.00 N ATOM 348 CA THR A 26 -11.690 0.985 -0.550 1.00 0.00 C ATOM 349 C THR A 26 -12.502 0.508 0.646 1.00 0.00 C ATOM 350 O THR A 26 -12.653 1.221 1.638 1.00 0.00 O ATOM 351 CB THR A 26 -10.447 0.086 -0.657 1.00 0.00 C ATOM 352 OG1 THR A 26 -10.828 -1.236 -1.052 1.00 0.00 O ATOM 353 CG2 THR A 26 -9.721 0.031 0.671 1.00 0.00 C ATOM 0 HA THR A 26 -12.279 0.910 -1.464 1.00 0.00 H new ATOM 0 HB THR A 26 -9.780 0.507 -1.409 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.669 -1.349 -2.012 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.843 -0.609 0.580 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.409 1.036 0.957 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.387 -0.373 1.433 1.00 0.00 H new ATOM 361 N LEU A 27 -12.903 -0.754 0.588 1.00 0.00 N ATOM 362 CA LEU A 27 -12.961 -1.588 1.769 1.00 0.00 C ATOM 363 C LEU A 27 -12.588 -3.004 1.383 1.00 0.00 C ATOM 364 O LEU A 27 -13.431 -3.901 1.339 1.00 0.00 O ATOM 365 CB LEU A 27 -14.345 -1.560 2.413 1.00 0.00 C ATOM 366 CG LEU A 27 -14.318 -1.569 3.939 1.00 0.00 C ATOM 367 CD1 LEU A 27 -13.321 -2.601 4.443 1.00 0.00 C ATOM 368 CD2 LEU A 27 -13.958 -0.189 4.460 1.00 0.00 C ATOM 0 H LEU A 27 -13.193 -1.220 -0.272 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.257 -1.202 2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.875 -0.670 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.915 -2.422 2.064 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.308 -1.836 4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.312 -2.596 5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.609 -3.590 4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.326 -2.357 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.941 -0.205 5.550 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.975 0.096 4.086 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.699 0.534 4.119 1.00 0.00 H new ATOM 380 N VAL A 28 -11.329 -3.167 1.014 1.00 0.00 N ATOM 381 CA VAL A 28 -10.914 -4.279 0.176 1.00 0.00 C ATOM 382 C VAL A 28 -10.707 -5.530 1.005 1.00 0.00 C ATOM 383 O VAL A 28 -10.285 -5.463 2.159 1.00 0.00 O ATOM 384 CB VAL A 28 -9.621 -3.951 -0.592 1.00 0.00 C ATOM 385 CG1 VAL A 28 -8.720 -3.091 0.266 1.00 0.00 C ATOM 386 CG2 VAL A 28 -8.899 -5.220 -1.018 1.00 0.00 C ATOM 0 H VAL A 28 -10.572 -2.539 1.284 1.00 0.00 H new ATOM 0 HA VAL A 28 -11.712 -4.455 -0.546 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.886 -3.401 -1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.806 -2.862 -0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.234 -2.164 0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.469 -3.627 1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.990 -4.957 -1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.641 -5.805 -0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.549 -5.808 -1.666 1.00 0.00 H new ATOM 396 N ARG A 29 -11.025 -6.670 0.415 1.00 0.00 N ATOM 397 CA ARG A 29 -10.964 -7.927 1.128 1.00 0.00 C ATOM 398 C ARG A 29 -10.268 -8.987 0.276 1.00 0.00 C ATOM 399 O ARG A 29 -10.918 -9.865 -0.293 1.00 0.00 O ATOM 400 CB ARG A 29 -12.377 -8.380 1.497 1.00 0.00 C ATOM 401 CG ARG A 29 -13.309 -7.225 1.835 1.00 0.00 C ATOM 402 CD ARG A 29 -14.712 -7.714 2.155 1.00 0.00 C ATOM 403 NE ARG A 29 -15.313 -8.427 1.031 1.00 0.00 N ATOM 404 CZ ARG A 29 -16.490 -9.043 1.092 1.00 0.00 C ATOM 405 NH1 ARG A 29 -17.189 -9.034 2.219 1.00 0.00 N ATOM 406 NH2 ARG A 29 -16.970 -9.667 0.025 1.00 0.00 N ATOM 0 H ARG A 29 -11.328 -6.747 -0.556 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.387 -7.790 2.043 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.798 -8.947 0.667 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.323 -9.056 2.350 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.912 -6.674 2.687 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -13.348 -6.530 0.996 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.677 -8.371 3.024 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -15.340 -6.864 2.423 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.801 -8.454 0.149 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.824 -8.554 3.042 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -18.092 -9.507 2.263 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.436 -9.675 -0.844 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.873 -10.139 0.073 1.00 0.00 H new ATOM 420 N PRO A 30 -8.937 -8.877 0.134 1.00 0.00 N ATOM 421 CA PRO A 30 -8.187 -9.596 -0.888 1.00 0.00 C ATOM 422 C PRO A 30 -7.674 -10.947 -0.406 1.00 0.00 C ATOM 423 O PRO A 30 -7.500 -11.166 0.793 1.00 0.00 O ATOM 424 CB PRO A 30 -7.023 -8.648 -1.156 1.00 0.00 C ATOM 425 CG PRO A 30 -6.757 -7.993 0.160 1.00 0.00 C ATOM 426 CD PRO A 30 -8.057 -8.002 0.932 1.00 0.00 C ATOM 0 HA PRO A 30 -8.794 -9.833 -1.762 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.147 -9.188 -1.514 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.278 -7.913 -1.920 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.981 -8.528 0.707 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.401 -6.973 0.017 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.919 -8.388 1.942 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.472 -6.999 1.028 1.00 0.00 H new ATOM 434 N LYS A 31 -7.401 -11.840 -1.354 1.00 0.00 N ATOM 435 CA LYS A 31 -6.706 -13.086 -1.056 1.00 0.00 C ATOM 436 C LYS A 31 -5.341 -12.794 -0.437 1.00 0.00 C ATOM 437 O LYS A 31 -4.774 -11.725 -0.661 1.00 0.00 O ATOM 438 CB LYS A 31 -6.539 -13.916 -2.330 1.00 0.00 C ATOM 439 CG LYS A 31 -7.854 -14.264 -3.011 1.00 0.00 C ATOM 440 CD LYS A 31 -8.724 -15.149 -2.131 1.00 0.00 C ATOM 441 CE LYS A 31 -10.038 -15.493 -2.814 1.00 0.00 C ATOM 442 NZ LYS A 31 -10.900 -16.352 -1.957 1.00 0.00 N ATOM 0 H LYS A 31 -7.651 -11.722 -2.336 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.301 -13.655 -0.342 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.911 -13.366 -3.031 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.012 -14.838 -2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.393 -13.348 -3.252 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.653 -14.773 -3.954 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.186 -16.066 -1.891 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.925 -14.641 -1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.571 -14.574 -3.060 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.835 -16.005 -3.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.786 -16.564 -2.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.402 -17.240 -1.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.115 -15.853 -1.070 1.00 0.00 H new ATOM 456 N PRO A 32 -4.807 -13.735 0.365 1.00 0.00 N ATOM 457 CA PRO A 32 -3.549 -13.532 1.095 1.00 0.00 C ATOM 458 C PRO A 32 -2.420 -13.035 0.197 1.00 0.00 C ATOM 459 O PRO A 32 -1.648 -13.827 -0.342 1.00 0.00 O ATOM 460 CB PRO A 32 -3.228 -14.926 1.637 1.00 0.00 C ATOM 461 CG PRO A 32 -4.552 -15.594 1.763 1.00 0.00 C ATOM 462 CD PRO A 32 -5.393 -15.062 0.636 1.00 0.00 C ATOM 0 HA PRO A 32 -3.647 -12.768 1.867 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.571 -15.473 0.961 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.719 -14.870 2.599 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.450 -16.677 1.697 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.009 -15.375 2.728 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.345 -15.708 -0.240 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.443 -14.987 0.920 1.00 0.00 H new ATOM 470 N LEU A 33 -2.328 -11.716 0.050 1.00 0.00 N ATOM 471 CA LEU A 33 -1.277 -11.103 -0.755 1.00 0.00 C ATOM 472 C LEU A 33 -0.919 -9.720 -0.224 1.00 0.00 C ATOM 473 O LEU A 33 0.139 -9.177 -0.545 1.00 0.00 O ATOM 474 CB LEU A 33 -1.710 -11.004 -2.220 1.00 0.00 C ATOM 475 CG LEU A 33 -1.713 -12.327 -2.988 1.00 0.00 C ATOM 476 CD1 LEU A 33 -2.309 -12.135 -4.375 1.00 0.00 C ATOM 477 CD2 LEU A 33 -0.302 -12.889 -3.086 1.00 0.00 C ATOM 0 H LEU A 33 -2.971 -11.050 0.479 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.393 -11.738 -0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.712 -10.578 -2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.047 -10.306 -2.732 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.331 -13.041 -2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.304 -13.086 -4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.334 -11.776 -4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.717 -11.406 -4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.323 -13.830 -3.635 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.337 -12.178 -3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.091 -13.062 -2.084 1.00 0.00 H new ATOM 489 N LEU A 34 -1.800 -9.162 0.599 1.00 0.00 N ATOM 490 CA LEU A 34 -1.545 -7.892 1.253 1.00 0.00 C ATOM 491 C LEU A 34 -1.685 -8.076 2.748 1.00 0.00 C ATOM 492 O LEU A 34 -1.743 -7.113 3.512 1.00 0.00 O ATOM 493 CB LEU A 34 -2.530 -6.827 0.761 1.00 0.00 C ATOM 494 CG LEU A 34 -2.731 -6.783 -0.755 1.00 0.00 C ATOM 495 CD1 LEU A 34 -3.630 -5.618 -1.139 1.00 0.00 C ATOM 496 CD2 LEU A 34 -1.392 -6.686 -1.466 1.00 0.00 C ATOM 0 H LEU A 34 -2.703 -9.577 0.828 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.536 -7.558 1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.496 -7.000 1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.182 -5.850 1.095 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.217 -7.707 -1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.762 -5.602 -2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.601 -5.733 -0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.172 -4.683 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.554 -6.656 -2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.877 -5.778 -1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.783 -7.554 -1.215 1.00 0.00 H new ATOM 508 N LEU A 35 -1.790 -9.337 3.145 1.00 0.00 N ATOM 509 CA LEU A 35 -2.202 -9.682 4.489 1.00 0.00 C ATOM 510 C LEU A 35 -1.219 -10.666 5.112 1.00 0.00 C ATOM 511 O LEU A 35 -0.880 -10.559 6.288 1.00 0.00 O ATOM 512 CB LEU A 35 -3.611 -10.265 4.461 1.00 0.00 C ATOM 513 CG LEU A 35 -4.531 -9.615 3.429 1.00 0.00 C ATOM 514 CD1 LEU A 35 -4.782 -10.567 2.277 1.00 0.00 C ATOM 515 CD2 LEU A 35 -5.837 -9.185 4.067 1.00 0.00 C ATOM 0 H LEU A 35 -1.593 -10.139 2.547 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.209 -8.781 5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.547 -11.333 4.254 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.057 -10.158 5.450 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.039 -8.724 3.040 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.439 -10.092 1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.835 -10.820 1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.253 -11.476 2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.476 -8.725 3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.341 -10.056 4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.635 -8.465 4.860 1.00 0.00 H new ATOM 527 N LYS A 36 -0.685 -11.557 4.282 1.00 0.00 N ATOM 528 CA LYS A 36 0.635 -12.119 4.527 1.00 0.00 C ATOM 529 C LYS A 36 1.692 -11.042 4.322 1.00 0.00 C ATOM 530 O LYS A 36 2.873 -11.240 4.607 1.00 0.00 O ATOM 531 CB LYS A 36 0.895 -13.298 3.591 1.00 0.00 C ATOM 532 CG LYS A 36 0.176 -14.574 4.002 1.00 0.00 C ATOM 533 CD LYS A 36 0.515 -15.727 3.072 1.00 0.00 C ATOM 534 CE LYS A 36 -0.115 -17.027 3.544 1.00 0.00 C ATOM 535 NZ LYS A 36 -1.600 -16.940 3.597 1.00 0.00 N ATOM 0 H LYS A 36 -1.144 -11.902 3.439 1.00 0.00 H new ATOM 0 HA LYS A 36 0.683 -12.480 5.554 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.585 -13.025 2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.967 -13.491 3.553 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.452 -14.836 5.024 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.901 -14.405 3.996 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.167 -15.498 2.065 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.597 -15.845 3.017 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.177 -17.836 2.874 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.269 -17.278 4.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.981 -17.787 4.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.879 -16.093 4.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.979 -16.879 2.630 1.00 0.00 H new ATOM 549 N LEU A 37 1.238 -9.891 3.836 1.00 0.00 N ATOM 550 CA LEU A 37 2.075 -8.724 3.676 1.00 0.00 C ATOM 551 C LEU A 37 1.988 -7.862 4.933 1.00 0.00 C ATOM 552 O LEU A 37 2.957 -7.221 5.337 1.00 0.00 O ATOM 553 CB LEU A 37 1.592 -7.940 2.446 1.00 0.00 C ATOM 554 CG LEU A 37 2.600 -6.977 1.823 1.00 0.00 C ATOM 555 CD1 LEU A 37 2.977 -5.905 2.818 1.00 0.00 C ATOM 556 CD2 LEU A 37 3.833 -7.721 1.338 1.00 0.00 C ATOM 0 H LEU A 37 0.272 -9.749 3.542 1.00 0.00 H new ATOM 0 HA LEU A 37 3.115 -9.016 3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.284 -8.655 1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.705 -7.373 2.728 1.00 0.00 H new ATOM 0 HG LEU A 37 2.136 -6.502 0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.696 -5.224 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.086 -5.350 3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.422 -6.367 3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.536 -7.013 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.307 -8.228 2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.542 -8.457 0.588 1.00 0.00 H new ATOM 568 N LEU A 38 0.801 -7.840 5.532 1.00 0.00 N ATOM 569 CA LEU A 38 0.493 -6.897 6.599 1.00 0.00 C ATOM 570 C LEU A 38 0.441 -7.586 7.960 1.00 0.00 C ATOM 571 O LEU A 38 1.125 -7.176 8.895 1.00 0.00 O ATOM 572 CB LEU A 38 -0.841 -6.214 6.308 1.00 0.00 C ATOM 573 CG LEU A 38 -0.744 -4.759 5.854 1.00 0.00 C ATOM 574 CD1 LEU A 38 0.204 -4.623 4.671 1.00 0.00 C ATOM 575 CD2 LEU A 38 -2.121 -4.234 5.495 1.00 0.00 C ATOM 0 H LEU A 38 0.034 -8.469 5.294 1.00 0.00 H new ATOM 0 HA LEU A 38 1.289 -6.153 6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.362 -6.784 5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.456 -6.257 7.207 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.344 -4.166 6.676 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.257 -3.578 4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.197 -4.967 4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.162 -5.226 3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.042 -3.196 5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.540 -4.834 4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.772 -4.294 6.367 1.00 0.00 H new ATOM 587 N LYS A 39 -0.370 -8.634 8.069 1.00 0.00 N ATOM 588 CA LYS A 39 -0.463 -9.393 9.313 1.00 0.00 C ATOM 589 C LYS A 39 0.917 -9.862 9.761 1.00 0.00 C ATOM 590 O LYS A 39 1.122 -10.199 10.927 1.00 0.00 O ATOM 591 CB LYS A 39 -1.394 -10.596 9.144 1.00 0.00 C ATOM 592 CG LYS A 39 -2.816 -10.216 8.757 1.00 0.00 C ATOM 593 CD LYS A 39 -3.724 -11.434 8.677 1.00 0.00 C ATOM 594 CE LYS A 39 -3.454 -12.264 7.430 1.00 0.00 C ATOM 595 NZ LYS A 39 -2.142 -12.966 7.493 1.00 0.00 N ATOM 0 H LYS A 39 -0.969 -8.976 7.317 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.876 -8.736 10.079 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.984 -11.258 8.382 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.418 -11.160 10.077 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.216 -9.512 9.487 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.807 -9.706 7.794 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.580 -12.053 9.563 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.765 -11.111 8.680 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.251 -12.997 7.305 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.476 -11.617 6.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.238 -13.918 7.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.434 -12.427 6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.837 -13.044 8.484 1.00 0.00 H new ATOM 609 N SER A 40 1.864 -9.863 8.829 1.00 0.00 N ATOM 610 CA SER A 40 3.251 -10.188 9.144 1.00 0.00 C ATOM 611 C SER A 40 3.921 -9.054 9.915 1.00 0.00 C ATOM 612 O SER A 40 4.600 -9.289 10.916 1.00 0.00 O ATOM 613 CB SER A 40 4.032 -10.478 7.861 1.00 0.00 C ATOM 614 OG SER A 40 5.383 -10.793 8.146 1.00 0.00 O ATOM 0 H SER A 40 1.696 -9.642 7.847 1.00 0.00 H new ATOM 0 HA SER A 40 3.252 -11.078 9.774 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.567 -11.307 7.328 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.989 -9.611 7.202 1.00 0.00 H new ATOM 0 HG SER A 40 5.819 -11.129 7.335 1.00 0.00 H new ATOM 620 N VAL A 41 3.744 -7.824 9.437 1.00 0.00 N ATOM 621 CA VAL A 41 4.417 -6.671 10.020 1.00 0.00 C ATOM 622 C VAL A 41 3.734 -6.215 11.308 1.00 0.00 C ATOM 623 O VAL A 41 4.376 -5.648 12.192 1.00 0.00 O ATOM 624 CB VAL A 41 4.481 -5.496 9.021 1.00 0.00 C ATOM 625 CG1 VAL A 41 3.103 -5.183 8.463 1.00 0.00 C ATOM 626 CG2 VAL A 41 5.081 -4.263 9.674 1.00 0.00 C ATOM 0 H VAL A 41 3.139 -7.603 8.646 1.00 0.00 H new ATOM 0 HA VAL A 41 5.433 -6.985 10.259 1.00 0.00 H new ATOM 0 HB VAL A 41 5.125 -5.795 8.194 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.175 -4.352 7.762 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.711 -6.060 7.947 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.433 -4.913 9.279 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.116 -3.449 8.950 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.467 -3.967 10.525 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.091 -4.488 10.016 1.00 0.00 H new ATOM 636 N GLY A 42 2.433 -6.474 11.418 1.00 0.00 N ATOM 637 CA GLY A 42 1.711 -6.114 12.627 1.00 0.00 C ATOM 638 C GLY A 42 0.207 -6.256 12.487 1.00 0.00 C ATOM 639 O GLY A 42 -0.498 -6.439 13.479 1.00 0.00 O ATOM 0 H GLY A 42 1.869 -6.924 10.697 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.054 -6.743 13.449 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.950 -5.084 12.892 1.00 0.00 H new ATOM 643 N ALA A 43 -0.286 -6.157 11.256 1.00 0.00 N ATOM 644 CA ALA A 43 -1.723 -6.187 11.002 1.00 0.00 C ATOM 645 C ALA A 43 -2.356 -7.470 11.530 1.00 0.00 C ATOM 646 O ALA A 43 -1.654 -8.418 11.887 1.00 0.00 O ATOM 647 CB ALA A 43 -1.995 -6.034 9.512 1.00 0.00 C ATOM 0 H ALA A 43 0.288 -6.055 10.419 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.177 -5.351 11.534 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.070 -6.058 9.334 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.591 -5.084 9.164 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.519 -6.851 8.970 1.00 0.00 H new ATOM 653 N GLN A 44 -3.687 -7.494 11.575 1.00 0.00 N ATOM 654 CA GLN A 44 -4.419 -8.670 12.041 1.00 0.00 C ATOM 655 C GLN A 44 -5.926 -8.464 11.903 1.00 0.00 C ATOM 656 O GLN A 44 -6.632 -8.281 12.895 1.00 0.00 O ATOM 657 CB GLN A 44 -4.065 -8.975 13.499 1.00 0.00 C ATOM 658 CG GLN A 44 -4.673 -10.269 14.017 1.00 0.00 C ATOM 659 CD GLN A 44 -4.308 -10.548 15.461 1.00 0.00 C ATOM 660 OE1 GLN A 44 -3.301 -11.197 15.745 1.00 0.00 O ATOM 661 NE2 GLN A 44 -5.126 -10.057 16.385 1.00 0.00 N ATOM 0 H GLN A 44 -4.280 -6.713 11.295 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.128 -9.517 11.420 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.981 -9.028 13.597 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.401 -8.149 14.126 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.758 -10.219 13.924 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.337 -11.098 13.395 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.950 -9.524 16.106 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.930 -10.212 17.374 1.00 0.00 H new ATOM 670 N LYS A 45 -6.415 -8.503 10.667 1.00 0.00 N ATOM 671 CA LYS A 45 -7.847 -8.387 10.405 1.00 0.00 C ATOM 672 C LYS A 45 -8.270 -9.305 9.263 1.00 0.00 C ATOM 673 O LYS A 45 -7.434 -9.953 8.632 1.00 0.00 O ATOM 674 CB LYS A 45 -8.215 -6.939 10.068 1.00 0.00 C ATOM 675 CG LYS A 45 -7.802 -5.940 11.137 1.00 0.00 C ATOM 676 CD LYS A 45 -8.254 -4.529 10.789 1.00 0.00 C ATOM 677 CE LYS A 45 -7.565 -4.011 9.537 1.00 0.00 C ATOM 678 NZ LYS A 45 -8.018 -2.638 9.180 1.00 0.00 N ATOM 0 H LYS A 45 -5.841 -8.614 9.831 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.377 -8.689 11.308 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.744 -6.664 9.124 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.293 -6.873 9.918 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.230 -6.234 12.095 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.718 -5.957 11.253 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.334 -4.519 10.641 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.041 -3.862 11.624 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.486 -4.008 9.691 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.766 -4.687 8.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.658 -2.388 8.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.057 -2.606 9.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.655 -1.960 9.880 1.00 0.00 H new ATOM 692 N ASP A 46 -9.572 -9.345 8.994 1.00 0.00 N ATOM 693 CA ASP A 46 -10.101 -10.131 7.886 1.00 0.00 C ATOM 694 C ASP A 46 -10.206 -9.282 6.622 1.00 0.00 C ATOM 695 O ASP A 46 -10.252 -9.810 5.510 1.00 0.00 O ATOM 696 CB ASP A 46 -11.473 -10.703 8.249 1.00 0.00 C ATOM 697 CG ASP A 46 -12.468 -9.625 8.634 1.00 0.00 C ATOM 698 OD1 ASP A 46 -12.537 -9.283 9.834 1.00 0.00 O ATOM 699 OD2 ASP A 46 -13.178 -9.123 7.738 1.00 0.00 O ATOM 0 H ASP A 46 -10.280 -8.842 9.529 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.413 -10.954 7.693 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.863 -11.268 7.402 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.363 -11.404 9.076 1.00 0.00 H new ATOM 704 N THR A 47 -10.227 -7.966 6.802 1.00 0.00 N ATOM 705 CA THR A 47 -10.224 -7.035 5.677 1.00 0.00 C ATOM 706 C THR A 47 -9.327 -5.844 5.967 1.00 0.00 C ATOM 707 O THR A 47 -8.844 -5.675 7.086 1.00 0.00 O ATOM 708 CB THR A 47 -11.638 -6.508 5.364 1.00 0.00 C ATOM 709 OG1 THR A 47 -12.137 -5.759 6.479 1.00 0.00 O ATOM 710 CG2 THR A 47 -12.594 -7.645 5.050 1.00 0.00 C ATOM 0 H THR A 47 -10.246 -7.518 7.718 1.00 0.00 H new ATOM 0 HA THR A 47 -9.850 -7.590 4.816 1.00 0.00 H new ATOM 0 HB THR A 47 -11.570 -5.865 4.487 1.00 0.00 H new ATOM 0 HG1 THR A 47 -13.035 -5.425 6.273 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.583 -7.240 4.834 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.231 -8.197 4.183 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.656 -8.315 5.907 1.00 0.00 H new ATOM 718 N TYR A 48 -9.118 -5.012 4.955 1.00 0.00 N ATOM 719 CA TYR A 48 -8.333 -3.802 5.130 1.00 0.00 C ATOM 720 C TYR A 48 -8.902 -2.647 4.340 1.00 0.00 C ATOM 721 O TYR A 48 -9.803 -2.811 3.514 1.00 0.00 O ATOM 722 CB TYR A 48 -6.891 -4.037 4.712 1.00 0.00 C ATOM 723 CG TYR A 48 -6.142 -4.920 5.667 1.00 0.00 C ATOM 724 CD1 TYR A 48 -6.163 -6.295 5.525 1.00 0.00 C ATOM 725 CD2 TYR A 48 -5.427 -4.372 6.716 1.00 0.00 C ATOM 726 CE1 TYR A 48 -5.484 -7.109 6.405 1.00 0.00 C ATOM 727 CE2 TYR A 48 -4.742 -5.179 7.607 1.00 0.00 C ATOM 728 CZ TYR A 48 -4.774 -6.550 7.442 1.00 0.00 C ATOM 729 OH TYR A 48 -4.106 -7.369 8.321 1.00 0.00 O ATOM 0 H TYR A 48 -9.479 -5.153 4.012 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.370 -3.545 6.189 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.875 -4.488 3.720 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.379 -3.078 4.635 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.720 -6.738 4.712 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.403 -3.300 6.842 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.509 -8.182 6.281 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.188 -4.741 8.424 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.561 -8.236 8.370 1.00 0.00 H new ATOM 739 N THR A 49 -8.337 -1.476 4.580 1.00 0.00 N ATOM 740 CA THR A 49 -8.657 -0.310 3.781 1.00 0.00 C ATOM 741 C THR A 49 -7.389 0.425 3.373 1.00 0.00 C ATOM 742 O THR A 49 -6.344 0.274 4.003 1.00 0.00 O ATOM 743 CB THR A 49 -9.580 0.665 4.531 1.00 0.00 C ATOM 744 OG1 THR A 49 -8.831 1.390 5.516 1.00 0.00 O ATOM 745 CG2 THR A 49 -10.721 -0.078 5.207 1.00 0.00 C ATOM 0 H THR A 49 -7.656 -1.310 5.321 1.00 0.00 H new ATOM 0 HA THR A 49 -9.179 -0.670 2.894 1.00 0.00 H new ATOM 0 HB THR A 49 -9.999 1.361 3.805 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.425 2.010 5.988 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.359 0.634 5.730 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.307 -0.606 4.455 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.316 -0.795 5.921 1.00 0.00 H new ATOM 753 N MET A 50 -7.483 1.182 2.289 1.00 0.00 N ATOM 754 CA MET A 50 -6.305 1.686 1.598 1.00 0.00 C ATOM 755 C MET A 50 -5.436 2.536 2.516 1.00 0.00 C ATOM 756 O MET A 50 -4.275 2.794 2.204 1.00 0.00 O ATOM 757 CB MET A 50 -6.726 2.505 0.379 1.00 0.00 C ATOM 758 CG MET A 50 -6.942 1.667 -0.870 1.00 0.00 C ATOM 759 SD MET A 50 -6.909 2.652 -2.381 1.00 0.00 S ATOM 760 CE MET A 50 -5.244 3.310 -2.321 1.00 0.00 C ATOM 0 H MET A 50 -8.369 1.462 1.867 1.00 0.00 H new ATOM 0 HA MET A 50 -5.715 0.828 1.277 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.647 3.040 0.611 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.963 3.256 0.175 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.171 0.898 -0.925 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.900 1.153 -0.797 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.878 3.468 -3.336 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.247 4.259 -1.785 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.592 2.604 -1.806 1.00 0.00 H new ATOM 770 N LYS A 51 -6.001 2.972 3.638 1.00 0.00 N ATOM 771 CA LYS A 51 -5.286 3.846 4.562 1.00 0.00 C ATOM 772 C LYS A 51 -4.561 3.017 5.613 1.00 0.00 C ATOM 773 O LYS A 51 -3.374 3.224 5.877 1.00 0.00 O ATOM 774 CB LYS A 51 -6.261 4.821 5.229 1.00 0.00 C ATOM 775 CG LYS A 51 -5.587 5.903 6.059 1.00 0.00 C ATOM 776 CD LYS A 51 -5.279 5.426 7.469 1.00 0.00 C ATOM 777 CE LYS A 51 -4.660 6.531 8.310 1.00 0.00 C ATOM 778 NZ LYS A 51 -4.391 6.085 9.703 1.00 0.00 N ATOM 0 H LYS A 51 -6.950 2.735 3.929 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.548 4.421 4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.868 5.295 4.458 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.941 4.258 5.869 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.663 6.213 5.571 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.233 6.780 6.105 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.196 5.076 7.944 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.598 4.576 7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.729 6.860 7.848 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.329 7.392 8.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.878 6.832 10.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.292 5.892 10.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.815 5.219 9.685 1.00 0.00 H new ATOM 792 N GLU A 52 -5.278 2.055 6.182 1.00 0.00 N ATOM 793 CA GLU A 52 -4.677 1.074 7.071 1.00 0.00 C ATOM 794 C GLU A 52 -3.433 0.472 6.434 1.00 0.00 C ATOM 795 O GLU A 52 -2.345 0.515 7.005 1.00 0.00 O ATOM 796 CB GLU A 52 -5.682 -0.032 7.386 1.00 0.00 C ATOM 797 CG GLU A 52 -5.546 -0.597 8.791 1.00 0.00 C ATOM 798 CD GLU A 52 -5.760 0.449 9.866 1.00 0.00 C ATOM 799 OE1 GLU A 52 -6.625 1.329 9.674 1.00 0.00 O ATOM 800 OE2 GLU A 52 -5.063 0.389 10.901 1.00 0.00 O ATOM 0 H GLU A 52 -6.281 1.935 6.041 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.392 1.574 7.997 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.691 0.358 7.257 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.558 -0.840 6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.268 -1.403 8.925 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.554 -1.034 8.908 1.00 0.00 H new ATOM 807 N VAL A 53 -3.608 -0.089 5.242 1.00 0.00 N ATOM 808 CA VAL A 53 -2.514 -0.728 4.523 1.00 0.00 C ATOM 809 C VAL A 53 -1.618 0.306 3.842 1.00 0.00 C ATOM 810 O VAL A 53 -0.481 0.005 3.476 1.00 0.00 O ATOM 811 CB VAL A 53 -3.048 -1.737 3.480 1.00 0.00 C ATOM 812 CG1 VAL A 53 -4.126 -1.102 2.620 1.00 0.00 C ATOM 813 CG2 VAL A 53 -1.919 -2.282 2.619 1.00 0.00 C ATOM 0 H VAL A 53 -4.502 -0.113 4.752 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.917 -1.270 5.257 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.492 -2.574 4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.487 -1.830 1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.953 -0.779 3.253 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.713 -0.240 2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.323 -2.989 1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.434 -1.460 2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.190 -2.788 3.252 1.00 0.00 H new ATOM 823 N LEU A 54 -2.109 1.538 3.714 1.00 0.00 N ATOM 824 CA LEU A 54 -1.257 2.648 3.298 1.00 0.00 C ATOM 825 C LEU A 54 0.019 2.669 4.129 1.00 0.00 C ATOM 826 O LEU A 54 1.106 2.371 3.628 1.00 0.00 O ATOM 827 CB LEU A 54 -1.990 3.986 3.440 1.00 0.00 C ATOM 828 CG LEU A 54 -1.403 5.145 2.630 1.00 0.00 C ATOM 829 CD1 LEU A 54 -2.423 6.266 2.492 1.00 0.00 C ATOM 830 CD2 LEU A 54 -0.126 5.663 3.272 1.00 0.00 C ATOM 0 H LEU A 54 -3.082 1.790 3.890 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.002 2.504 2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.029 3.845 3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.997 4.267 4.493 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.156 4.775 1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.990 7.082 1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.310 5.890 1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.700 6.629 3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.272 6.486 2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.343 6.015 4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.610 4.860 3.318 1.00 0.00 H new ATOM 842 N PHE A 55 -0.118 3.015 5.405 1.00 0.00 N ATOM 843 CA PHE A 55 1.035 3.079 6.293 1.00 0.00 C ATOM 844 C PHE A 55 1.566 1.683 6.598 1.00 0.00 C ATOM 845 O PHE A 55 2.770 1.495 6.762 1.00 0.00 O ATOM 846 CB PHE A 55 0.685 3.815 7.593 1.00 0.00 C ATOM 847 CG PHE A 55 -0.429 3.183 8.381 1.00 0.00 C ATOM 848 CD1 PHE A 55 -0.186 2.098 9.209 1.00 0.00 C ATOM 849 CD2 PHE A 55 -1.718 3.683 8.302 1.00 0.00 C ATOM 850 CE1 PHE A 55 -1.207 1.523 9.940 1.00 0.00 C ATOM 851 CE2 PHE A 55 -2.745 3.111 9.029 1.00 0.00 C ATOM 852 CZ PHE A 55 -2.489 2.029 9.850 1.00 0.00 C ATOM 0 H PHE A 55 -1.008 3.253 5.843 1.00 0.00 H new ATOM 0 HA PHE A 55 1.818 3.639 5.782 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.575 3.864 8.220 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.407 4.841 7.352 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.814 1.697 9.283 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.923 4.530 7.665 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.003 0.678 10.581 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.746 3.509 8.956 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.289 1.580 10.420 1.00 0.00 H new ATOM 862 N TYR A 56 0.662 0.708 6.681 1.00 0.00 N ATOM 863 CA TYR A 56 1.034 -0.648 7.072 1.00 0.00 C ATOM 864 C TYR A 56 1.975 -1.282 6.059 1.00 0.00 C ATOM 865 O TYR A 56 3.095 -1.661 6.395 1.00 0.00 O ATOM 866 CB TYR A 56 -0.204 -1.526 7.238 1.00 0.00 C ATOM 867 CG TYR A 56 -0.402 -2.014 8.652 1.00 0.00 C ATOM 868 CD1 TYR A 56 0.678 -2.442 9.419 1.00 0.00 C ATOM 869 CD2 TYR A 56 -1.668 -2.050 9.221 1.00 0.00 C ATOM 870 CE1 TYR A 56 0.499 -2.889 10.713 1.00 0.00 C ATOM 871 CE2 TYR A 56 -1.855 -2.495 10.513 1.00 0.00 C ATOM 872 CZ TYR A 56 -0.769 -2.915 11.257 1.00 0.00 C ATOM 873 OH TYR A 56 -0.953 -3.361 12.546 1.00 0.00 O ATOM 0 H TYR A 56 -0.331 0.833 6.483 1.00 0.00 H new ATOM 0 HA TYR A 56 1.552 -0.575 8.028 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.085 -0.963 6.928 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.124 -2.385 6.572 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.671 -2.424 8.995 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.520 -1.724 8.643 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.347 -3.217 11.296 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.846 -2.515 10.941 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.905 -3.314 12.776 1.00 0.00 H new ATOM 883 N LEU A 57 1.520 -1.391 4.817 1.00 0.00 N ATOM 884 CA LEU A 57 2.378 -1.867 3.745 1.00 0.00 C ATOM 885 C LEU A 57 3.646 -1.028 3.688 1.00 0.00 C ATOM 886 O LEU A 57 4.726 -1.537 3.397 1.00 0.00 O ATOM 887 CB LEU A 57 1.643 -1.816 2.402 1.00 0.00 C ATOM 888 CG LEU A 57 1.980 -2.954 1.433 1.00 0.00 C ATOM 889 CD1 LEU A 57 1.041 -2.933 0.239 1.00 0.00 C ATOM 890 CD2 LEU A 57 3.427 -2.863 0.979 1.00 0.00 C ATOM 0 H LEU A 57 0.569 -1.158 4.531 1.00 0.00 H new ATOM 0 HA LEU A 57 2.647 -2.904 3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.570 -1.827 2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.871 -0.867 1.917 1.00 0.00 H new ATOM 0 HG LEU A 57 1.847 -3.900 1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.295 -3.748 -0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.013 -3.054 0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.139 -1.982 -0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.645 -3.680 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.591 -1.911 0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.085 -2.932 1.845 1.00 0.00 H new ATOM 902 N GLY A 58 3.512 0.253 4.021 1.00 0.00 N ATOM 903 CA GLY A 58 4.679 1.085 4.246 1.00 0.00 C ATOM 904 C GLY A 58 5.643 0.471 5.244 1.00 0.00 C ATOM 905 O GLY A 58 6.848 0.405 4.991 1.00 0.00 O ATOM 0 H GLY A 58 2.617 0.728 4.139 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.194 1.247 3.299 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.361 2.063 4.607 1.00 0.00 H new ATOM 909 N GLN A 59 5.115 0.011 6.378 1.00 0.00 N ATOM 910 CA GLN A 59 5.934 -0.632 7.396 1.00 0.00 C ATOM 911 C GLN A 59 6.674 -1.835 6.823 1.00 0.00 C ATOM 912 O GLN A 59 7.889 -1.950 6.972 1.00 0.00 O ATOM 913 CB GLN A 59 5.064 -1.076 8.570 1.00 0.00 C ATOM 914 CG GLN A 59 3.936 -0.111 8.887 1.00 0.00 C ATOM 915 CD GLN A 59 4.433 1.244 9.355 1.00 0.00 C ATOM 916 OE1 GLN A 59 3.786 2.266 9.129 1.00 0.00 O ATOM 917 NE2 GLN A 59 5.587 1.259 10.013 1.00 0.00 N ATOM 0 H GLN A 59 4.124 0.073 6.611 1.00 0.00 H new ATOM 0 HA GLN A 59 6.669 0.094 7.744 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.642 -2.056 8.349 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.692 -1.192 9.454 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.317 0.021 7.999 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.299 -0.545 9.658 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.091 0.388 10.179 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.969 2.142 10.353 1.00 0.00 H new ATOM 926 N TYR A 60 5.931 -2.746 6.196 1.00 0.00 N ATOM 927 CA TYR A 60 6.489 -4.032 5.788 1.00 0.00 C ATOM 928 C TYR A 60 7.655 -3.845 4.823 1.00 0.00 C ATOM 929 O TYR A 60 8.685 -4.508 4.947 1.00 0.00 O ATOM 930 CB TYR A 60 5.417 -4.912 5.146 1.00 0.00 C ATOM 931 CG TYR A 60 5.887 -6.320 4.872 1.00 0.00 C ATOM 932 CD1 TYR A 60 5.936 -7.265 5.890 1.00 0.00 C ATOM 933 CD2 TYR A 60 6.288 -6.703 3.602 1.00 0.00 C ATOM 934 CE1 TYR A 60 6.371 -8.552 5.645 1.00 0.00 C ATOM 935 CE2 TYR A 60 6.725 -7.988 3.348 1.00 0.00 C ATOM 936 CZ TYR A 60 6.764 -8.909 4.374 1.00 0.00 C ATOM 937 OH TYR A 60 7.201 -10.190 4.126 1.00 0.00 O ATOM 0 H TYR A 60 4.947 -2.618 5.961 1.00 0.00 H new ATOM 0 HA TYR A 60 6.859 -4.528 6.685 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.546 -4.948 5.800 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.094 -4.455 4.210 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.629 -6.988 6.888 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.258 -5.984 2.797 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.403 -9.276 6.446 1.00 0.00 H new ATOM 0 HE2 TYR A 60 7.034 -8.270 2.352 1.00 0.00 H new ATOM 0 HH TYR A 60 7.170 -10.712 4.955 1.00 0.00 H new ATOM 947 N ILE A 61 7.497 -2.926 3.876 1.00 0.00 N ATOM 948 CA ILE A 61 8.587 -2.558 2.981 1.00 0.00 C ATOM 949 C ILE A 61 9.821 -2.154 3.776 1.00 0.00 C ATOM 950 O ILE A 61 10.874 -2.782 3.677 1.00 0.00 O ATOM 951 CB ILE A 61 8.189 -1.388 2.062 1.00 0.00 C ATOM 952 CG1 ILE A 61 6.834 -1.651 1.414 1.00 0.00 C ATOM 953 CG2 ILE A 61 9.247 -1.161 0.994 1.00 0.00 C ATOM 954 CD1 ILE A 61 6.181 -0.396 0.884 1.00 0.00 C ATOM 0 H ILE A 61 6.625 -2.423 3.709 1.00 0.00 H new ATOM 0 HA ILE A 61 8.809 -3.433 2.370 1.00 0.00 H new ATOM 0 HB ILE A 61 8.113 -0.488 2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.960 -2.362 0.597 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.173 -2.118 2.144 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.947 -0.330 0.355 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.200 -0.927 1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.354 -2.062 0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.220 -0.648 0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.026 0.307 1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.825 0.059 0.132 1.00 0.00 H new ATOM 966 N MET A 62 9.671 -1.100 4.573 1.00 0.00 N ATOM 967 CA MET A 62 10.750 -0.627 5.436 1.00 0.00 C ATOM 968 C MET A 62 11.320 -1.760 6.290 1.00 0.00 C ATOM 969 O MET A 62 12.511 -1.771 6.602 1.00 0.00 O ATOM 970 CB MET A 62 10.247 0.500 6.340 1.00 0.00 C ATOM 971 CG MET A 62 9.649 1.668 5.576 1.00 0.00 C ATOM 972 SD MET A 62 9.084 2.994 6.661 1.00 0.00 S ATOM 973 CE MET A 62 10.622 3.464 7.451 1.00 0.00 C ATOM 0 H MET A 62 8.811 -0.556 4.639 1.00 0.00 H new ATOM 0 HA MET A 62 11.547 -0.250 4.795 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.497 0.100 7.022 1.00 0.00 H new ATOM 0 HB3 MET A 62 11.074 0.861 6.951 1.00 0.00 H new ATOM 0 HG2 MET A 62 10.393 2.063 4.884 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.811 1.313 4.976 1.00 0.00 H new ATOM 0 HE1 MET A 62 10.532 4.474 7.850 1.00 0.00 H new ATOM 0 HE2 MET A 62 10.840 2.771 8.264 1.00 0.00 H new ATOM 0 HE3 MET A 62 11.431 3.433 6.721 1.00 0.00 H new ATOM 983 N THR A 63 10.464 -2.704 6.673 1.00 0.00 N ATOM 984 CA THR A 63 10.879 -3.808 7.533 1.00 0.00 C ATOM 985 C THR A 63 11.395 -4.982 6.709 1.00 0.00 C ATOM 986 O THR A 63 11.254 -5.003 5.486 1.00 0.00 O ATOM 987 CB THR A 63 9.728 -4.295 8.433 1.00 0.00 C ATOM 988 OG1 THR A 63 8.639 -4.760 7.632 1.00 0.00 O ATOM 989 CG2 THR A 63 9.251 -3.182 9.353 1.00 0.00 C ATOM 0 H THR A 63 9.481 -2.726 6.402 1.00 0.00 H new ATOM 0 HA THR A 63 11.681 -3.426 8.164 1.00 0.00 H new ATOM 0 HB THR A 63 10.101 -5.116 9.046 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.925 -4.823 6.697 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.438 -3.550 9.979 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.076 -2.854 9.986 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.897 -2.342 8.755 1.00 0.00 H new ATOM 997 N LYS A 64 11.993 -5.960 7.388 1.00 0.00 N ATOM 998 CA LYS A 64 12.521 -7.149 6.723 1.00 0.00 C ATOM 999 C LYS A 64 13.526 -6.771 5.639 1.00 0.00 C ATOM 1000 O LYS A 64 13.810 -7.565 4.743 1.00 0.00 O ATOM 1001 CB LYS A 64 11.381 -7.971 6.116 1.00 0.00 C ATOM 1002 CG LYS A 64 10.379 -8.476 7.143 1.00 0.00 C ATOM 1003 CD LYS A 64 11.018 -9.459 8.111 1.00 0.00 C ATOM 1004 CE LYS A 64 10.014 -9.965 9.134 1.00 0.00 C ATOM 1005 NZ LYS A 64 10.626 -10.941 10.078 1.00 0.00 N ATOM 0 H LYS A 64 12.124 -5.952 8.400 1.00 0.00 H new ATOM 0 HA LYS A 64 13.035 -7.752 7.472 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.857 -7.362 5.379 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.803 -8.823 5.583 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.969 -7.632 7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.545 -8.957 6.632 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.430 -10.302 7.556 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.850 -8.977 8.624 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.611 -9.122 9.695 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.176 -10.435 8.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.909 -11.262 10.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.988 -11.758 9.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.409 -10.486 10.589 1.00 0.00 H new ATOM 1019 N ARG A 65 14.082 -5.566 5.756 1.00 0.00 N ATOM 1020 CA ARG A 65 15.171 -5.111 4.890 1.00 0.00 C ATOM 1021 C ARG A 65 14.996 -5.595 3.451 1.00 0.00 C ATOM 1022 O ARG A 65 15.898 -6.204 2.875 1.00 0.00 O ATOM 1023 CB ARG A 65 16.525 -5.572 5.444 1.00 0.00 C ATOM 1024 CG ARG A 65 16.655 -7.081 5.592 1.00 0.00 C ATOM 1025 CD ARG A 65 18.023 -7.472 6.124 1.00 0.00 C ATOM 1026 NE ARG A 65 19.100 -7.031 5.243 1.00 0.00 N ATOM 1027 CZ ARG A 65 20.386 -7.288 5.463 1.00 0.00 C ATOM 1028 NH1 ARG A 65 20.755 -7.982 6.532 1.00 0.00 N ATOM 1029 NH2 ARG A 65 21.306 -6.850 4.613 1.00 0.00 N ATOM 0 H ARG A 65 13.792 -4.879 6.452 1.00 0.00 H new ATOM 0 HA ARG A 65 15.142 -4.021 4.877 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.316 -5.213 4.786 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.685 -5.107 6.417 1.00 0.00 H new ATOM 0 HG2 ARG A 65 15.882 -7.449 6.267 1.00 0.00 H new ATOM 0 HG3 ARG A 65 16.489 -7.558 4.626 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.164 -7.038 7.114 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.071 -8.555 6.240 1.00 0.00 H new ATOM 0 HE ARG A 65 18.852 -6.495 4.411 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.051 -8.320 7.188 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.742 -8.177 6.697 1.00 0.00 H new ATOM 0 HH21 ARG A 65 21.027 -6.316 3.790 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.292 -7.048 4.783 1.00 0.00 H new ATOM 1043 N LEU A 66 13.844 -5.287 2.863 1.00 0.00 N ATOM 1044 CA LEU A 66 13.629 -5.511 1.437 1.00 0.00 C ATOM 1045 C LEU A 66 14.004 -4.272 0.631 1.00 0.00 C ATOM 1046 O LEU A 66 14.256 -4.354 -0.571 1.00 0.00 O ATOM 1047 CB LEU A 66 12.169 -5.886 1.160 1.00 0.00 C ATOM 1048 CG LEU A 66 11.873 -7.390 1.097 1.00 0.00 C ATOM 1049 CD1 LEU A 66 12.848 -8.088 0.157 1.00 0.00 C ATOM 1050 CD2 LEU A 66 11.925 -8.013 2.482 1.00 0.00 C ATOM 0 H LEU A 66 13.045 -4.882 3.351 1.00 0.00 H new ATOM 0 HA LEU A 66 14.270 -6.338 1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.545 -5.443 1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.870 -5.435 0.214 1.00 0.00 H new ATOM 0 HG LEU A 66 10.864 -7.521 0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.623 -9.154 0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.753 -7.667 -0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 66 13.867 -7.943 0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.712 -9.079 2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.918 -7.870 2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.183 -7.537 3.123 1.00 0.00 H new ATOM 1062 N TYR A 67 14.034 -3.121 1.298 1.00 0.00 N ATOM 1063 CA TYR A 67 14.338 -1.859 0.635 1.00 0.00 C ATOM 1064 C TYR A 67 15.801 -1.806 0.206 1.00 0.00 C ATOM 1065 O TYR A 67 16.568 -2.734 0.466 1.00 0.00 O ATOM 1066 CB TYR A 67 14.019 -0.682 1.560 1.00 0.00 C ATOM 1067 CG TYR A 67 14.925 -0.595 2.766 1.00 0.00 C ATOM 1068 CD1 TYR A 67 14.673 -1.349 3.907 1.00 0.00 C ATOM 1069 CD2 TYR A 67 16.031 0.244 2.764 1.00 0.00 C ATOM 1070 CE1 TYR A 67 15.501 -1.265 5.011 1.00 0.00 C ATOM 1071 CE2 TYR A 67 16.863 0.331 3.863 1.00 0.00 C ATOM 1072 CZ TYR A 67 16.593 -0.425 4.985 1.00 0.00 C ATOM 1073 OH TYR A 67 17.419 -0.341 6.082 1.00 0.00 O ATOM 0 H TYR A 67 13.851 -3.038 2.298 1.00 0.00 H new ATOM 0 HA TYR A 67 13.716 -1.788 -0.257 1.00 0.00 H new ATOM 0 HB2 TYR A 67 14.094 0.246 0.992 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.986 -0.766 1.898 1.00 0.00 H new ATOM 0 HD1 TYR A 67 13.819 -2.009 3.931 1.00 0.00 H new ATOM 0 HD2 TYR A 67 16.244 0.839 1.888 1.00 0.00 H new ATOM 0 HE1 TYR A 67 15.293 -1.856 5.891 1.00 0.00 H new ATOM 0 HE2 TYR A 67 17.720 0.987 3.844 1.00 0.00 H new ATOM 0 HH TYR A 67 18.142 0.295 5.899 1.00 0.00 H new ATOM 1083 N ASP A 68 16.181 -0.715 -0.452 1.00 0.00 N ATOM 1084 CA ASP A 68 17.553 -0.537 -0.915 1.00 0.00 C ATOM 1085 C ASP A 68 18.533 -0.546 0.258 1.00 0.00 C ATOM 1086 O ASP A 68 19.010 -1.604 0.667 1.00 0.00 O ATOM 1087 CB ASP A 68 17.680 0.768 -1.709 1.00 0.00 C ATOM 1088 CG ASP A 68 19.122 1.125 -2.022 1.00 0.00 C ATOM 1089 OD1 ASP A 68 19.929 0.198 -2.246 1.00 0.00 O ATOM 1090 OD2 ASP A 68 19.444 2.331 -2.041 1.00 0.00 O ATOM 0 H ASP A 68 15.557 0.060 -0.677 1.00 0.00 H new ATOM 0 HA ASP A 68 17.803 -1.372 -1.569 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.122 0.677 -2.641 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.224 1.579 -1.142 1.00 0.00 H new ATOM 1095 N GLU A 69 18.826 0.639 0.794 1.00 0.00 N ATOM 1096 CA GLU A 69 19.760 0.775 1.909 1.00 0.00 C ATOM 1097 C GLU A 69 19.964 2.245 2.260 1.00 0.00 C ATOM 1098 O GLU A 69 20.204 2.590 3.417 1.00 0.00 O ATOM 1099 CB GLU A 69 21.107 0.132 1.566 1.00 0.00 C ATOM 1100 CG GLU A 69 21.767 0.720 0.329 1.00 0.00 C ATOM 1101 CD GLU A 69 23.090 0.056 0.002 1.00 0.00 C ATOM 1102 OE1 GLU A 69 23.084 -0.938 -0.753 1.00 0.00 O ATOM 1103 OE2 GLU A 69 24.131 0.530 0.501 1.00 0.00 O ATOM 0 H GLU A 69 18.428 1.521 0.472 1.00 0.00 H new ATOM 0 HA GLU A 69 19.334 0.261 2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 69 21.781 0.246 2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 69 20.961 -0.938 1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 69 21.093 0.617 -0.521 1.00 0.00 H new ATOM 0 HG3 GLU A 69 21.928 1.787 0.480 1.00 0.00 H new ATOM 1110 N LYS A 70 19.858 3.102 1.252 1.00 0.00 N ATOM 1111 CA LYS A 70 19.966 4.542 1.453 1.00 0.00 C ATOM 1112 C LYS A 70 18.758 5.248 0.855 1.00 0.00 C ATOM 1113 O LYS A 70 17.977 5.878 1.569 1.00 0.00 O ATOM 1114 CB LYS A 70 21.252 5.076 0.819 1.00 0.00 C ATOM 1115 CG LYS A 70 22.519 4.503 1.434 1.00 0.00 C ATOM 1116 CD LYS A 70 23.765 5.103 0.803 1.00 0.00 C ATOM 1117 CE LYS A 70 25.031 4.558 1.444 1.00 0.00 C ATOM 1118 NZ LYS A 70 25.143 3.082 1.286 1.00 0.00 N ATOM 0 H LYS A 70 19.697 2.824 0.284 1.00 0.00 H new ATOM 0 HA LYS A 70 19.997 4.740 2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 70 21.242 4.850 -0.247 1.00 0.00 H new ATOM 0 HB3 LYS A 70 21.271 6.162 0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 70 22.524 4.697 2.507 1.00 0.00 H new ATOM 0 HG3 LYS A 70 22.530 3.421 1.305 1.00 0.00 H new ATOM 0 HD2 LYS A 70 23.774 4.886 -0.265 1.00 0.00 H new ATOM 0 HD3 LYS A 70 23.741 6.188 0.907 1.00 0.00 H new ATOM 0 HE2 LYS A 70 25.901 5.038 0.995 1.00 0.00 H new ATOM 0 HE3 LYS A 70 25.039 4.811 2.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 26.102 2.839 0.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 24.957 2.620 2.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 24.449 2.754 0.584 1.00 0.00 H new ATOM 1132 N GLN A 71 18.580 5.087 -0.451 1.00 0.00 N ATOM 1133 CA GLN A 71 17.310 5.393 -1.088 1.00 0.00 C ATOM 1134 C GLN A 71 16.306 4.277 -0.819 1.00 0.00 C ATOM 1135 O GLN A 71 16.017 3.464 -1.697 1.00 0.00 O ATOM 1136 CB GLN A 71 17.500 5.581 -2.596 1.00 0.00 C ATOM 1137 CG GLN A 71 18.446 6.715 -2.953 1.00 0.00 C ATOM 1138 CD GLN A 71 18.610 6.891 -4.450 1.00 0.00 C ATOM 1139 OE1 GLN A 71 17.866 7.638 -5.084 1.00 0.00 O ATOM 1140 NE2 GLN A 71 19.588 6.197 -5.022 1.00 0.00 N ATOM 0 H GLN A 71 19.301 4.746 -1.087 1.00 0.00 H new ATOM 0 HA GLN A 71 16.925 6.322 -0.668 1.00 0.00 H new ATOM 0 HB2 GLN A 71 17.880 4.654 -3.024 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.530 5.770 -3.055 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.073 7.644 -2.521 1.00 0.00 H new ATOM 0 HG3 GLN A 71 19.421 6.524 -2.505 1.00 0.00 H new ATOM 0 HE21 GLN A 71 20.181 5.590 -4.456 1.00 0.00 H new ATOM 0 HE22 GLN A 71 19.746 6.272 -6.027 1.00 0.00 H new ATOM 1149 N GLN A 72 15.806 4.228 0.412 1.00 0.00 N ATOM 1150 CA GLN A 72 14.968 3.121 0.864 1.00 0.00 C ATOM 1151 C GLN A 72 13.760 2.935 -0.050 1.00 0.00 C ATOM 1152 O GLN A 72 13.117 1.886 -0.037 1.00 0.00 O ATOM 1153 CB GLN A 72 14.501 3.368 2.299 1.00 0.00 C ATOM 1154 CG GLN A 72 15.642 3.592 3.279 1.00 0.00 C ATOM 1155 CD GLN A 72 15.157 3.803 4.700 1.00 0.00 C ATOM 1156 OE1 GLN A 72 15.008 2.851 5.466 1.00 0.00 O ATOM 1157 NE2 GLN A 72 14.908 5.057 5.059 1.00 0.00 N ATOM 0 H GLN A 72 15.968 4.946 1.118 1.00 0.00 H new ATOM 0 HA GLN A 72 15.565 2.210 0.830 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.844 4.238 2.314 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.909 2.515 2.632 1.00 0.00 H new ATOM 0 HG2 GLN A 72 16.313 2.734 3.252 1.00 0.00 H new ATOM 0 HG3 GLN A 72 16.221 4.460 2.964 1.00 0.00 H new ATOM 0 HE21 GLN A 72 15.045 5.816 4.391 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.579 5.262 6.003 1.00 0.00 H new ATOM 1166 N HIS A 73 13.457 3.959 -0.842 1.00 0.00 N ATOM 1167 CA HIS A 73 12.328 3.905 -1.762 1.00 0.00 C ATOM 1168 C HIS A 73 12.678 3.110 -3.017 1.00 0.00 C ATOM 1169 O HIS A 73 11.938 3.138 -3.998 1.00 0.00 O ATOM 1170 CB HIS A 73 11.882 5.316 -2.147 1.00 0.00 C ATOM 1171 CG HIS A 73 12.901 6.076 -2.940 1.00 0.00 C ATOM 1172 ND1 HIS A 73 12.689 6.483 -4.241 1.00 0.00 N ATOM 1173 CD2 HIS A 73 14.139 6.508 -2.609 1.00 0.00 C ATOM 1174 CE1 HIS A 73 13.755 7.131 -4.676 1.00 0.00 C ATOM 1175 NE2 HIS A 73 14.649 7.161 -3.704 1.00 0.00 N ATOM 0 H HIS A 73 13.978 4.836 -0.865 1.00 0.00 H new ATOM 0 HA HIS A 73 11.508 3.400 -1.252 1.00 0.00 H new ATOM 0 HB2 HIS A 73 10.960 5.251 -2.725 1.00 0.00 H new ATOM 0 HB3 HIS A 73 11.651 5.874 -1.240 1.00 0.00 H new ATOM 0 HD2 HIS A 73 14.634 6.366 -1.660 1.00 0.00 H new ATOM 0 HE1 HIS A 73 13.875 7.563 -5.659 1.00 0.00 H new ATOM 0 HE2 HIS A 73 15.569 7.598 -3.758 1.00 0.00 H new ATOM 1184 N ILE A 74 13.787 2.374 -2.974 1.00 0.00 N ATOM 1185 CA ILE A 74 14.078 1.396 -4.014 1.00 0.00 C ATOM 1186 C ILE A 74 14.134 -0.005 -3.428 1.00 0.00 C ATOM 1187 O ILE A 74 15.159 -0.430 -2.897 1.00 0.00 O ATOM 1188 CB ILE A 74 15.407 1.694 -4.736 1.00 0.00 C ATOM 1189 CG1 ILE A 74 15.576 3.198 -4.958 1.00 0.00 C ATOM 1190 CG2 ILE A 74 15.454 0.955 -6.065 1.00 0.00 C ATOM 1191 CD1 ILE A 74 14.458 3.824 -5.765 1.00 0.00 C ATOM 0 H ILE A 74 14.490 2.436 -2.238 1.00 0.00 H new ATOM 0 HA ILE A 74 13.270 1.462 -4.743 1.00 0.00 H new ATOM 0 HB ILE A 74 16.228 1.347 -4.109 1.00 0.00 H new ATOM 0 HG12 ILE A 74 15.635 3.695 -3.990 1.00 0.00 H new ATOM 0 HG13 ILE A 74 16.523 3.377 -5.467 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.396 1.171 -6.568 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.375 -0.118 -5.888 1.00 0.00 H new ATOM 0 HG23 ILE A 74 14.624 1.281 -6.692 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.647 4.891 -5.881 1.00 0.00 H new ATOM 0 HD12 ILE A 74 14.412 3.355 -6.748 1.00 0.00 H new ATOM 0 HD13 ILE A 74 13.510 3.677 -5.248 1.00 0.00 H new ATOM 1203 N VAL A 75 13.004 -0.697 -3.479 1.00 0.00 N ATOM 1204 CA VAL A 75 12.815 -1.909 -2.694 1.00 0.00 C ATOM 1205 C VAL A 75 13.113 -3.154 -3.514 1.00 0.00 C ATOM 1206 O VAL A 75 12.243 -3.667 -4.216 1.00 0.00 O ATOM 1207 CB VAL A 75 11.378 -2.001 -2.159 1.00 0.00 C ATOM 1208 CG1 VAL A 75 11.318 -2.900 -0.934 1.00 0.00 C ATOM 1209 CG2 VAL A 75 10.835 -0.615 -1.854 1.00 0.00 C ATOM 0 H VAL A 75 12.204 -0.439 -4.056 1.00 0.00 H new ATOM 0 HA VAL A 75 13.513 -1.856 -1.858 1.00 0.00 H new ATOM 0 HB VAL A 75 10.748 -2.447 -2.929 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.292 -2.952 -0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.660 -3.900 -1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.960 -2.493 -0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.816 -0.698 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.463 -0.136 -1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.836 -0.015 -2.764 1.00 0.00 H new ATOM 1219 N TYR A 76 14.346 -3.639 -3.411 1.00 0.00 N ATOM 1220 CA TYR A 76 14.750 -4.856 -4.102 1.00 0.00 C ATOM 1221 C TYR A 76 14.056 -6.076 -3.506 1.00 0.00 C ATOM 1222 O TYR A 76 14.158 -6.335 -2.308 1.00 0.00 O ATOM 1223 CB TYR A 76 16.268 -5.025 -4.027 1.00 0.00 C ATOM 1224 CG TYR A 76 17.029 -3.736 -4.241 1.00 0.00 C ATOM 1225 CD1 TYR A 76 16.619 -2.814 -5.199 1.00 0.00 C ATOM 1226 CD2 TYR A 76 18.155 -3.439 -3.484 1.00 0.00 C ATOM 1227 CE1 TYR A 76 17.314 -1.636 -5.395 1.00 0.00 C ATOM 1228 CE2 TYR A 76 18.852 -2.262 -3.675 1.00 0.00 C ATOM 1229 CZ TYR A 76 18.428 -1.365 -4.632 1.00 0.00 C ATOM 1230 OH TYR A 76 19.120 -0.191 -4.824 1.00 0.00 O ATOM 0 H TYR A 76 15.083 -3.206 -2.854 1.00 0.00 H new ATOM 0 HA TYR A 76 14.453 -4.770 -5.147 1.00 0.00 H new ATOM 0 HB2 TYR A 76 16.532 -5.436 -3.053 1.00 0.00 H new ATOM 0 HB3 TYR A 76 16.582 -5.752 -4.776 1.00 0.00 H new ATOM 0 HD1 TYR A 76 15.745 -3.022 -5.798 1.00 0.00 H new ATOM 0 HD2 TYR A 76 18.491 -4.140 -2.734 1.00 0.00 H new ATOM 0 HE1 TYR A 76 16.985 -0.931 -6.144 1.00 0.00 H new ATOM 0 HE2 TYR A 76 19.725 -2.045 -3.077 1.00 0.00 H new ATOM 0 HH TYR A 76 19.788 -0.085 -4.115 1.00 0.00 H new ATOM 1240 N CYS A 77 13.331 -6.807 -4.346 1.00 0.00 N ATOM 1241 CA CYS A 77 12.510 -7.915 -3.874 1.00 0.00 C ATOM 1242 C CYS A 77 12.886 -9.219 -4.578 1.00 0.00 C ATOM 1243 O CYS A 77 13.865 -9.869 -4.213 1.00 0.00 O ATOM 1244 CB CYS A 77 11.029 -7.601 -4.092 1.00 0.00 C ATOM 1245 SG CYS A 77 10.475 -6.072 -3.303 1.00 0.00 S ATOM 0 H CYS A 77 13.295 -6.653 -5.354 1.00 0.00 H new ATOM 0 HA CYS A 77 12.693 -8.045 -2.807 1.00 0.00 H new ATOM 0 HB2 CYS A 77 10.836 -7.535 -5.163 1.00 0.00 H new ATOM 0 HB3 CYS A 77 10.433 -8.430 -3.711 1.00 0.00 H new ATOM 0 HG CYS A 77 11.225 -5.085 -3.695 1.00 0.00 H new ATOM 1251 N SER A 78 12.100 -9.597 -5.585 1.00 0.00 N ATOM 1252 CA SER A 78 12.344 -10.824 -6.340 1.00 0.00 C ATOM 1253 C SER A 78 12.378 -12.050 -5.427 1.00 0.00 C ATOM 1254 O SER A 78 12.751 -13.141 -5.859 1.00 0.00 O ATOM 1255 CB SER A 78 13.657 -10.710 -7.116 1.00 0.00 C ATOM 1256 OG SER A 78 13.862 -11.843 -7.944 1.00 0.00 O ATOM 0 H SER A 78 11.286 -9.068 -5.897 1.00 0.00 H new ATOM 0 HA SER A 78 11.519 -10.954 -7.041 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.645 -9.807 -7.727 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.488 -10.611 -6.418 1.00 0.00 H new ATOM 0 HG SER A 78 13.529 -12.645 -7.490 1.00 0.00 H new ATOM 1262 N ASN A 79 11.984 -11.866 -4.167 1.00 0.00 N ATOM 1263 CA ASN A 79 11.970 -12.958 -3.197 1.00 0.00 C ATOM 1264 C ASN A 79 11.458 -12.475 -1.843 1.00 0.00 C ATOM 1265 O ASN A 79 12.237 -12.272 -0.911 1.00 0.00 O ATOM 1266 CB ASN A 79 13.371 -13.554 -3.039 1.00 0.00 C ATOM 1267 CG ASN A 79 13.400 -14.720 -2.070 1.00 0.00 C ATOM 1268 OD1 ASN A 79 12.417 -15.448 -1.928 1.00 0.00 O ATOM 1269 ND2 ASN A 79 14.530 -14.904 -1.398 1.00 0.00 N ATOM 0 H ASN A 79 11.670 -10.970 -3.795 1.00 0.00 H new ATOM 0 HA ASN A 79 11.296 -13.729 -3.570 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.733 -13.885 -4.012 1.00 0.00 H new ATOM 0 HB3 ASN A 79 14.055 -12.780 -2.691 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.608 -15.673 -0.733 1.00 0.00 H new ATOM 0 HD22 ASN A 79 15.320 -14.276 -1.547 1.00 0.00 H new ATOM 1276 N ASP A 80 10.145 -12.279 -1.747 1.00 0.00 N ATOM 1277 CA ASP A 80 9.538 -11.716 -0.543 1.00 0.00 C ATOM 1278 C ASP A 80 8.023 -11.610 -0.692 1.00 0.00 C ATOM 1279 O ASP A 80 7.486 -11.733 -1.796 1.00 0.00 O ATOM 1280 CB ASP A 80 10.128 -10.335 -0.250 1.00 0.00 C ATOM 1281 CG ASP A 80 9.936 -9.368 -1.400 1.00 0.00 C ATOM 1282 OD1 ASP A 80 9.728 -9.834 -2.541 1.00 0.00 O ATOM 1283 OD2 ASP A 80 9.991 -8.145 -1.162 1.00 0.00 O ATOM 0 H ASP A 80 9.481 -12.502 -2.488 1.00 0.00 H new ATOM 0 HA ASP A 80 9.757 -12.385 0.289 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.661 -9.926 0.646 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.192 -10.435 -0.037 1.00 0.00 H new ATOM 1288 N LEU A 81 7.338 -11.366 0.420 1.00 0.00 N ATOM 1289 CA LEU A 81 5.896 -11.148 0.394 1.00 0.00 C ATOM 1290 C LEU A 81 5.554 -9.918 -0.439 1.00 0.00 C ATOM 1291 O LEU A 81 4.482 -9.838 -1.039 1.00 0.00 O ATOM 1292 CB LEU A 81 5.350 -10.988 1.816 1.00 0.00 C ATOM 1293 CG LEU A 81 5.232 -12.286 2.625 1.00 0.00 C ATOM 1294 CD1 LEU A 81 4.313 -13.274 1.920 1.00 0.00 C ATOM 1295 CD2 LEU A 81 6.603 -12.903 2.861 1.00 0.00 C ATOM 0 H LEU A 81 7.757 -11.314 1.349 1.00 0.00 H new ATOM 0 HA LEU A 81 5.429 -12.020 -0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.996 -10.298 2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.365 -10.525 1.759 1.00 0.00 H new ATOM 0 HG LEU A 81 4.798 -12.044 3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.242 -14.189 2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.322 -12.835 1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.717 -13.507 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.494 -13.822 3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.070 -13.128 1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.228 -12.201 3.413 1.00 0.00 H new ATOM 1307 N LEU A 82 6.482 -8.968 -0.490 1.00 0.00 N ATOM 1308 CA LEU A 82 6.327 -7.796 -1.340 1.00 0.00 C ATOM 1309 C LEU A 82 6.447 -8.172 -2.811 1.00 0.00 C ATOM 1310 O LEU A 82 5.955 -7.464 -3.687 1.00 0.00 O ATOM 1311 CB LEU A 82 7.367 -6.735 -0.986 1.00 0.00 C ATOM 1312 CG LEU A 82 7.000 -5.857 0.207 1.00 0.00 C ATOM 1313 CD1 LEU A 82 8.113 -4.863 0.497 1.00 0.00 C ATOM 1314 CD2 LEU A 82 5.689 -5.135 -0.057 1.00 0.00 C ATOM 0 H LEU A 82 7.349 -8.988 0.048 1.00 0.00 H new ATOM 0 HA LEU A 82 5.332 -7.386 -1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.315 -7.230 -0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.525 -6.096 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 82 6.874 -6.492 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.835 -4.245 1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.033 -5.402 0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.270 -4.228 -0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.438 -4.512 0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.791 -4.508 -0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.897 -5.866 -0.219 1.00 0.00 H new ATOM 1326 N GLY A 83 7.077 -9.311 -3.073 1.00 0.00 N ATOM 1327 CA GLY A 83 7.039 -9.887 -4.403 1.00 0.00 C ATOM 1328 C GLY A 83 5.691 -10.503 -4.709 1.00 0.00 C ATOM 1329 O GLY A 83 5.260 -10.531 -5.862 1.00 0.00 O ATOM 0 H GLY A 83 7.613 -9.845 -2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.262 -9.116 -5.140 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.815 -10.647 -4.492 1.00 0.00 H new ATOM 1333 N ASP A 84 5.009 -10.969 -3.668 1.00 0.00 N ATOM 1334 CA ASP A 84 3.629 -11.419 -3.801 1.00 0.00 C ATOM 1335 C ASP A 84 2.707 -10.249 -4.133 1.00 0.00 C ATOM 1336 O ASP A 84 1.621 -10.442 -4.679 1.00 0.00 O ATOM 1337 CB ASP A 84 3.160 -12.111 -2.521 1.00 0.00 C ATOM 1338 CG ASP A 84 3.934 -13.383 -2.234 1.00 0.00 C ATOM 1339 OD1 ASP A 84 4.988 -13.300 -1.568 1.00 0.00 O ATOM 1340 OD2 ASP A 84 3.487 -14.464 -2.673 1.00 0.00 O ATOM 0 H ASP A 84 5.389 -11.045 -2.724 1.00 0.00 H new ATOM 0 HA ASP A 84 3.588 -12.137 -4.620 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.268 -11.426 -1.680 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.099 -12.346 -2.606 1.00 0.00 H new ATOM 1345 N LEU A 85 3.157 -9.031 -3.830 1.00 0.00 N ATOM 1346 CA LEU A 85 2.450 -7.834 -4.273 1.00 0.00 C ATOM 1347 C LEU A 85 2.351 -7.808 -5.792 1.00 0.00 C ATOM 1348 O LEU A 85 1.274 -7.978 -6.362 1.00 0.00 O ATOM 1349 CB LEU A 85 3.153 -6.563 -3.792 1.00 0.00 C ATOM 1350 CG LEU A 85 3.172 -6.347 -2.278 1.00 0.00 C ATOM 1351 CD1 LEU A 85 3.156 -4.859 -1.966 1.00 0.00 C ATOM 1352 CD2 LEU A 85 1.992 -7.036 -1.607 1.00 0.00 C ATOM 0 H LEU A 85 4.000 -8.850 -3.285 1.00 0.00 H new ATOM 0 HA LEU A 85 1.450 -7.865 -3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.182 -6.581 -4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.669 -5.704 -4.257 1.00 0.00 H new ATOM 0 HG LEU A 85 4.087 -6.788 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.170 -4.714 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.033 -4.385 -2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.254 -4.410 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.034 -6.864 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.061 -6.631 -2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.035 -8.107 -1.805 1.00 0.00 H new ATOM 1364 N PHE A 86 3.496 -7.610 -6.435 1.00 0.00 N ATOM 1365 CA PHE A 86 3.578 -7.654 -7.892 1.00 0.00 C ATOM 1366 C PHE A 86 4.622 -8.668 -8.351 1.00 0.00 C ATOM 1367 O PHE A 86 4.336 -9.539 -9.172 1.00 0.00 O ATOM 1368 CB PHE A 86 3.912 -6.270 -8.465 1.00 0.00 C ATOM 1369 CG PHE A 86 4.396 -5.271 -7.448 1.00 0.00 C ATOM 1370 CD1 PHE A 86 5.535 -5.516 -6.696 1.00 0.00 C ATOM 1371 CD2 PHE A 86 3.713 -4.080 -7.253 1.00 0.00 C ATOM 1372 CE1 PHE A 86 5.980 -4.596 -5.768 1.00 0.00 C ATOM 1373 CE2 PHE A 86 4.156 -3.153 -6.327 1.00 0.00 C ATOM 1374 CZ PHE A 86 5.290 -3.413 -5.584 1.00 0.00 C ATOM 0 H PHE A 86 4.383 -7.417 -5.970 1.00 0.00 H new ATOM 0 HA PHE A 86 2.602 -7.963 -8.266 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.675 -6.384 -9.234 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.024 -5.870 -8.954 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.080 -6.437 -6.838 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.824 -3.874 -7.831 1.00 0.00 H new ATOM 0 HE1 PHE A 86 6.867 -4.801 -5.186 1.00 0.00 H new ATOM 0 HE2 PHE A 86 3.616 -2.228 -6.186 1.00 0.00 H new ATOM 0 HZ PHE A 86 5.638 -2.692 -4.859 1.00 0.00 H new ATOM 1384 N GLY A 87 5.835 -8.545 -7.820 1.00 0.00 N ATOM 1385 CA GLY A 87 6.914 -9.434 -8.212 1.00 0.00 C ATOM 1386 C GLY A 87 8.071 -8.695 -8.857 1.00 0.00 C ATOM 1387 O GLY A 87 8.745 -9.229 -9.737 1.00 0.00 O ATOM 0 H GLY A 87 6.090 -7.844 -7.124 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.274 -9.971 -7.335 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.531 -10.180 -8.908 1.00 0.00 H new ATOM 1391 N VAL A 88 8.295 -7.460 -8.422 1.00 0.00 N ATOM 1392 CA VAL A 88 9.345 -6.623 -8.995 1.00 0.00 C ATOM 1393 C VAL A 88 10.701 -6.932 -8.366 1.00 0.00 C ATOM 1394 O VAL A 88 10.776 -7.354 -7.212 1.00 0.00 O ATOM 1395 CB VAL A 88 9.037 -5.126 -8.795 1.00 0.00 C ATOM 1396 CG1 VAL A 88 7.676 -4.775 -9.374 1.00 0.00 C ATOM 1397 CG2 VAL A 88 9.107 -4.758 -7.320 1.00 0.00 C ATOM 0 H VAL A 88 7.763 -7.015 -7.674 1.00 0.00 H new ATOM 0 HA VAL A 88 9.380 -6.846 -10.061 1.00 0.00 H new ATOM 0 HB VAL A 88 9.791 -4.547 -9.328 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.479 -3.714 -9.222 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.666 -4.997 -10.441 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.906 -5.362 -8.875 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.887 -3.697 -7.199 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.377 -5.346 -6.763 1.00 0.00 H new ATOM 0 HG23 VAL A 88 10.107 -4.967 -6.940 1.00 0.00 H new ATOM 1407 N PRO A 89 11.796 -6.680 -9.106 1.00 0.00 N ATOM 1408 CA PRO A 89 13.145 -6.685 -8.539 1.00 0.00 C ATOM 1409 C PRO A 89 13.426 -5.423 -7.732 1.00 0.00 C ATOM 1410 O PRO A 89 14.400 -5.356 -6.986 1.00 0.00 O ATOM 1411 CB PRO A 89 14.038 -6.741 -9.778 1.00 0.00 C ATOM 1412 CG PRO A 89 13.251 -6.051 -10.837 1.00 0.00 C ATOM 1413 CD PRO A 89 11.801 -6.340 -10.542 1.00 0.00 C ATOM 0 HA PRO A 89 13.304 -7.510 -7.845 1.00 0.00 H new ATOM 0 HB2 PRO A 89 14.991 -6.242 -9.603 1.00 0.00 H new ATOM 0 HB3 PRO A 89 14.264 -7.770 -10.058 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.443 -4.978 -10.828 1.00 0.00 H new ATOM 0 HG3 PRO A 89 13.527 -6.416 -11.826 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.170 -5.476 -10.751 1.00 0.00 H new ATOM 0 HD3 PRO A 89 11.425 -7.163 -11.150 1.00 0.00 H new ATOM 1421 N SER A 90 12.550 -4.433 -7.884 1.00 0.00 N ATOM 1422 CA SER A 90 12.630 -3.194 -7.115 1.00 0.00 C ATOM 1423 C SER A 90 11.412 -2.319 -7.390 1.00 0.00 C ATOM 1424 O SER A 90 10.980 -2.194 -8.537 1.00 0.00 O ATOM 1425 CB SER A 90 13.904 -2.424 -7.460 1.00 0.00 C ATOM 1426 OG SER A 90 14.003 -2.200 -8.856 1.00 0.00 O ATOM 0 H SER A 90 11.769 -4.466 -8.540 1.00 0.00 H new ATOM 0 HA SER A 90 12.653 -3.454 -6.057 1.00 0.00 H new ATOM 0 HB2 SER A 90 13.909 -1.469 -6.934 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.775 -2.982 -7.116 1.00 0.00 H new ATOM 0 HG SER A 90 14.826 -1.704 -9.050 1.00 0.00 H new ATOM 1432 N PHE A 91 10.860 -1.708 -6.345 1.00 0.00 N ATOM 1433 CA PHE A 91 9.720 -0.811 -6.521 1.00 0.00 C ATOM 1434 C PHE A 91 9.890 0.475 -5.722 1.00 0.00 C ATOM 1435 O PHE A 91 10.497 0.481 -4.652 1.00 0.00 O ATOM 1436 CB PHE A 91 8.406 -1.509 -6.145 1.00 0.00 C ATOM 1437 CG PHE A 91 8.226 -1.786 -4.676 1.00 0.00 C ATOM 1438 CD1 PHE A 91 7.694 -0.823 -3.830 1.00 0.00 C ATOM 1439 CD2 PHE A 91 8.561 -3.022 -4.146 1.00 0.00 C ATOM 1440 CE1 PHE A 91 7.503 -1.086 -2.488 1.00 0.00 C ATOM 1441 CE2 PHE A 91 8.376 -3.290 -2.802 1.00 0.00 C ATOM 1442 CZ PHE A 91 7.846 -2.321 -1.972 1.00 0.00 C ATOM 0 H PHE A 91 11.177 -1.814 -5.381 1.00 0.00 H new ATOM 0 HA PHE A 91 9.678 -0.544 -7.577 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.575 -0.892 -6.487 1.00 0.00 H new ATOM 0 HB3 PHE A 91 8.347 -2.453 -6.687 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.426 0.145 -4.227 1.00 0.00 H new ATOM 0 HD2 PHE A 91 8.972 -3.785 -4.791 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.086 -0.327 -1.842 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.646 -4.256 -2.401 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.700 -2.528 -0.922 1.00 0.00 H new ATOM 1452 N SER A 92 9.356 1.567 -6.261 1.00 0.00 N ATOM 1453 CA SER A 92 9.488 2.874 -5.633 1.00 0.00 C ATOM 1454 C SER A 92 8.240 3.227 -4.833 1.00 0.00 C ATOM 1455 O SER A 92 7.244 3.692 -5.389 1.00 0.00 O ATOM 1456 CB SER A 92 9.754 3.949 -6.688 1.00 0.00 C ATOM 1457 OG SER A 92 9.769 5.242 -6.106 1.00 0.00 O ATOM 0 H SER A 92 8.827 1.571 -7.133 1.00 0.00 H new ATOM 0 HA SER A 92 10.334 2.832 -4.947 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.709 3.755 -7.176 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.986 3.903 -7.460 1.00 0.00 H new ATOM 0 HG SER A 92 10.097 5.892 -6.762 1.00 0.00 H new ATOM 1463 N VAL A 93 8.308 3.013 -3.524 1.00 0.00 N ATOM 1464 CA VAL A 93 7.221 3.389 -2.630 1.00 0.00 C ATOM 1465 C VAL A 93 7.016 4.901 -2.631 1.00 0.00 C ATOM 1466 O VAL A 93 5.936 5.391 -2.304 1.00 0.00 O ATOM 1467 CB VAL A 93 7.498 2.914 -1.189 1.00 0.00 C ATOM 1468 CG1 VAL A 93 8.679 3.665 -0.596 1.00 0.00 C ATOM 1469 CG2 VAL A 93 6.258 3.079 -0.322 1.00 0.00 C ATOM 0 H VAL A 93 9.106 2.580 -3.058 1.00 0.00 H new ATOM 0 HA VAL A 93 6.316 2.903 -2.996 1.00 0.00 H new ATOM 0 HB VAL A 93 7.751 1.854 -1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 93 8.859 3.316 0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 93 9.566 3.486 -1.203 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.460 4.733 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.474 2.738 0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.968 4.130 -0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.442 2.487 -0.737 1.00 0.00 H new ATOM 1479 N LYS A 94 8.063 5.631 -3.001 1.00 0.00 N ATOM 1480 CA LYS A 94 8.007 7.088 -3.041 1.00 0.00 C ATOM 1481 C LYS A 94 6.987 7.564 -4.070 1.00 0.00 C ATOM 1482 O LYS A 94 6.455 8.670 -3.964 1.00 0.00 O ATOM 1483 CB LYS A 94 9.388 7.661 -3.369 1.00 0.00 C ATOM 1484 CG LYS A 94 9.449 9.178 -3.310 1.00 0.00 C ATOM 1485 CD LYS A 94 10.834 9.695 -3.659 1.00 0.00 C ATOM 1486 CE LYS A 94 10.896 11.212 -3.598 1.00 0.00 C ATOM 1487 NZ LYS A 94 10.570 11.727 -2.240 1.00 0.00 N ATOM 0 H LYS A 94 8.962 5.237 -3.278 1.00 0.00 H new ATOM 0 HA LYS A 94 7.697 7.444 -2.059 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.117 7.249 -2.671 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.680 7.333 -4.366 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.718 9.599 -4.000 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.175 9.515 -2.310 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.565 9.272 -2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.107 9.359 -4.659 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.894 11.546 -3.883 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.199 11.633 -4.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.849 12.727 -2.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.547 11.641 -2.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.086 11.174 -1.526 1.00 0.00 H new ATOM 1501 N GLU A 95 6.712 6.719 -5.059 1.00 0.00 N ATOM 1502 CA GLU A 95 5.725 7.039 -6.084 1.00 0.00 C ATOM 1503 C GLU A 95 4.310 6.914 -5.530 1.00 0.00 C ATOM 1504 O GLU A 95 3.446 7.740 -5.821 1.00 0.00 O ATOM 1505 CB GLU A 95 5.894 6.118 -7.294 1.00 0.00 C ATOM 1506 CG GLU A 95 7.259 6.229 -7.956 1.00 0.00 C ATOM 1507 CD GLU A 95 7.540 7.623 -8.482 1.00 0.00 C ATOM 1508 OE1 GLU A 95 7.200 7.896 -9.653 1.00 0.00 O ATOM 1509 OE2 GLU A 95 8.099 8.442 -7.723 1.00 0.00 O ATOM 0 H GLU A 95 7.158 5.809 -5.172 1.00 0.00 H new ATOM 0 HA GLU A 95 5.886 8.070 -6.398 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.734 5.086 -6.980 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.123 6.351 -8.028 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.031 5.953 -7.237 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.319 5.516 -8.778 1.00 0.00 H new ATOM 1516 N HIS A 96 4.092 5.881 -4.716 1.00 0.00 N ATOM 1517 CA HIS A 96 2.815 5.680 -4.032 1.00 0.00 C ATOM 1518 C HIS A 96 1.692 5.379 -5.021 1.00 0.00 C ATOM 1519 O HIS A 96 1.266 4.232 -5.149 1.00 0.00 O ATOM 1520 CB HIS A 96 2.455 6.904 -3.188 1.00 0.00 C ATOM 1521 CG HIS A 96 3.408 7.162 -2.062 1.00 0.00 C ATOM 1522 ND1 HIS A 96 4.415 8.102 -2.129 1.00 0.00 N ATOM 1523 CD2 HIS A 96 3.500 6.601 -0.833 1.00 0.00 C ATOM 1524 CE1 HIS A 96 5.086 8.107 -0.990 1.00 0.00 C ATOM 1525 NE2 HIS A 96 4.551 7.207 -0.188 1.00 0.00 N ATOM 0 H HIS A 96 4.790 5.165 -4.513 1.00 0.00 H new ATOM 0 HA HIS A 96 2.929 4.818 -3.375 1.00 0.00 H new ATOM 0 HB2 HIS A 96 2.423 7.782 -3.833 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.453 6.771 -2.780 1.00 0.00 H new ATOM 0 HD1 HIS A 96 4.611 8.700 -2.932 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.866 5.823 -0.434 1.00 0.00 H new ATOM 0 HE1 HIS A 96 5.929 8.740 -0.756 1.00 0.00 H new ATOM 1534 N ARG A 97 1.212 6.411 -5.707 1.00 0.00 N ATOM 1535 CA ARG A 97 0.137 6.249 -6.682 1.00 0.00 C ATOM 1536 C ARG A 97 0.406 5.057 -7.594 1.00 0.00 C ATOM 1537 O ARG A 97 -0.459 4.203 -7.784 1.00 0.00 O ATOM 1538 CB ARG A 97 -0.017 7.522 -7.518 1.00 0.00 C ATOM 1539 CG ARG A 97 -1.148 7.450 -8.533 1.00 0.00 C ATOM 1540 CD ARG A 97 -1.219 8.712 -9.377 1.00 0.00 C ATOM 1541 NE ARG A 97 -1.423 9.906 -8.563 1.00 0.00 N ATOM 1542 CZ ARG A 97 -1.416 11.143 -9.051 1.00 0.00 C ATOM 1543 NH1 ARG A 97 -1.217 11.347 -10.346 1.00 0.00 N ATOM 1544 NH2 ARG A 97 -1.608 12.178 -8.244 1.00 0.00 N ATOM 0 H ARG A 97 1.549 7.368 -5.607 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.790 6.065 -6.138 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -0.192 8.366 -6.851 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.918 7.718 -8.042 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -1.003 6.585 -9.181 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -2.095 7.304 -8.014 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -0.297 8.817 -9.949 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -2.033 8.621 -10.097 1.00 0.00 H new ATOM 0 HE ARG A 97 -1.580 9.785 -7.562 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -1.069 10.554 -10.970 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -1.212 12.297 -10.718 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -1.761 12.026 -7.247 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -1.602 13.126 -8.620 1.00 0.00 H new ATOM 1558 N LYS A 98 1.609 5.007 -8.153 1.00 0.00 N ATOM 1559 CA LYS A 98 1.980 3.938 -9.071 1.00 0.00 C ATOM 1560 C LYS A 98 2.168 2.619 -8.332 1.00 0.00 C ATOM 1561 O LYS A 98 1.895 1.548 -8.875 1.00 0.00 O ATOM 1562 CB LYS A 98 3.263 4.303 -9.820 1.00 0.00 C ATOM 1563 CG LYS A 98 3.140 5.564 -10.659 1.00 0.00 C ATOM 1564 CD LYS A 98 4.436 5.880 -11.394 1.00 0.00 C ATOM 1565 CE LYS A 98 4.778 4.806 -12.414 1.00 0.00 C ATOM 1566 NZ LYS A 98 3.719 4.669 -13.452 1.00 0.00 N ATOM 0 H LYS A 98 2.344 5.694 -7.987 1.00 0.00 H new ATOM 0 HA LYS A 98 1.169 3.816 -9.788 1.00 0.00 H new ATOM 0 HB2 LYS A 98 4.070 4.434 -9.099 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.545 3.472 -10.467 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.332 5.443 -11.381 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.871 6.403 -10.017 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.345 6.843 -11.896 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.250 5.972 -10.675 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.727 5.049 -12.893 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.913 3.852 -11.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.085 4.110 -14.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.892 4.189 -13.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.440 5.612 -13.790 1.00 0.00 H new ATOM 1580 N ILE A 99 2.655 2.699 -7.098 1.00 0.00 N ATOM 1581 CA ILE A 99 3.022 1.508 -6.341 1.00 0.00 C ATOM 1582 C ILE A 99 1.782 0.741 -5.885 1.00 0.00 C ATOM 1583 O ILE A 99 1.777 -0.489 -5.861 1.00 0.00 O ATOM 1584 CB ILE A 99 3.923 1.863 -5.127 1.00 0.00 C ATOM 1585 CG1 ILE A 99 4.903 0.722 -4.838 1.00 0.00 C ATOM 1586 CG2 ILE A 99 3.102 2.181 -3.888 1.00 0.00 C ATOM 1587 CD1 ILE A 99 4.273 -0.472 -4.153 1.00 0.00 C ATOM 0 H ILE A 99 2.805 3.577 -6.601 1.00 0.00 H new ATOM 0 HA ILE A 99 3.595 0.863 -7.007 1.00 0.00 H new ATOM 0 HB ILE A 99 4.486 2.759 -5.387 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.351 0.395 -5.776 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.712 1.101 -4.214 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.770 2.424 -3.062 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.451 3.032 -4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.495 1.316 -3.622 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.032 -1.236 -3.983 1.00 0.00 H new ATOM 0 HD12 ILE A 99 3.850 -0.162 -3.198 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.483 -0.879 -4.785 1.00 0.00 H new ATOM 1599 N TYR A 100 0.723 1.471 -5.553 1.00 0.00 N ATOM 1600 CA TYR A 100 -0.516 0.849 -5.103 1.00 0.00 C ATOM 1601 C TYR A 100 -1.415 0.487 -6.280 1.00 0.00 C ATOM 1602 O TYR A 100 -2.250 -0.411 -6.178 1.00 0.00 O ATOM 1603 CB TYR A 100 -1.254 1.773 -4.134 1.00 0.00 C ATOM 1604 CG TYR A 100 -0.755 1.659 -2.712 1.00 0.00 C ATOM 1605 CD1 TYR A 100 0.429 0.992 -2.429 1.00 0.00 C ATOM 1606 CD2 TYR A 100 -1.467 2.210 -1.654 1.00 0.00 C ATOM 1607 CE1 TYR A 100 0.891 0.876 -1.136 1.00 0.00 C ATOM 1608 CE2 TYR A 100 -1.011 2.098 -0.355 1.00 0.00 C ATOM 1609 CZ TYR A 100 0.169 1.430 -0.101 1.00 0.00 C ATOM 1610 OH TYR A 100 0.627 1.315 1.191 1.00 0.00 O ATOM 0 H TYR A 100 0.698 2.490 -5.587 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.258 -0.074 -4.583 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -1.145 2.804 -4.470 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -2.319 1.541 -4.159 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.998 0.556 -3.237 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -2.391 2.734 -1.850 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.814 0.353 -0.935 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.575 2.531 0.458 1.00 0.00 H new ATOM 0 HH TYR A 100 0.021 0.739 1.703 1.00 0.00 H new ATOM 1620 N THR A 101 -1.235 1.180 -7.399 1.00 0.00 N ATOM 1621 CA THR A 101 -2.000 0.883 -8.604 1.00 0.00 C ATOM 1622 C THR A 101 -1.582 -0.455 -9.204 1.00 0.00 C ATOM 1623 O THR A 101 -2.411 -1.189 -9.741 1.00 0.00 O ATOM 1624 CB THR A 101 -1.839 1.991 -9.665 1.00 0.00 C ATOM 1625 OG1 THR A 101 -2.378 3.223 -9.171 1.00 0.00 O ATOM 1626 CG2 THR A 101 -2.539 1.612 -10.962 1.00 0.00 C ATOM 0 H THR A 101 -0.570 1.947 -7.497 1.00 0.00 H new ATOM 0 HA THR A 101 -3.048 0.831 -8.308 1.00 0.00 H new ATOM 0 HB THR A 101 -0.775 2.112 -9.869 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.807 3.565 -8.451 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.409 2.411 -11.692 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.108 0.690 -11.352 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.602 1.463 -10.772 1.00 0.00 H new ATOM 1634 N MET A 102 -0.294 -0.773 -9.105 1.00 0.00 N ATOM 1635 CA MET A 102 0.214 -2.040 -9.617 1.00 0.00 C ATOM 1636 C MET A 102 0.050 -3.154 -8.587 1.00 0.00 C ATOM 1637 O MET A 102 -0.074 -4.325 -8.946 1.00 0.00 O ATOM 1638 CB MET A 102 1.682 -1.910 -10.029 1.00 0.00 C ATOM 1639 CG MET A 102 2.587 -1.379 -8.931 1.00 0.00 C ATOM 1640 SD MET A 102 4.320 -1.330 -9.430 1.00 0.00 S ATOM 1641 CE MET A 102 5.051 -0.480 -8.033 1.00 0.00 C ATOM 0 H MET A 102 0.412 -0.174 -8.677 1.00 0.00 H new ATOM 0 HA MET A 102 -0.372 -2.301 -10.498 1.00 0.00 H new ATOM 0 HB2 MET A 102 2.047 -2.887 -10.346 1.00 0.00 H new ATOM 0 HB3 MET A 102 1.749 -1.248 -10.893 1.00 0.00 H new ATOM 0 HG2 MET A 102 2.264 -0.376 -8.651 1.00 0.00 H new ATOM 0 HG3 MET A 102 2.485 -2.006 -8.045 1.00 0.00 H new ATOM 0 HE1 MET A 102 6.055 -0.866 -7.857 1.00 0.00 H new ATOM 0 HE2 MET A 102 5.105 0.588 -8.244 1.00 0.00 H new ATOM 0 HE3 MET A 102 4.439 -0.644 -7.146 1.00 0.00 H new ATOM 1651 N ILE A 103 0.008 -2.783 -7.309 1.00 0.00 N ATOM 1652 CA ILE A 103 -0.374 -3.725 -6.261 1.00 0.00 C ATOM 1653 C ILE A 103 -1.801 -4.227 -6.472 1.00 0.00 C ATOM 1654 O ILE A 103 -2.054 -5.431 -6.448 1.00 0.00 O ATOM 1655 CB ILE A 103 -0.257 -3.096 -4.857 1.00 0.00 C ATOM 1656 CG1 ILE A 103 1.214 -2.957 -4.461 1.00 0.00 C ATOM 1657 CG2 ILE A 103 -1.009 -3.932 -3.829 1.00 0.00 C ATOM 1658 CD1 ILE A 103 1.426 -2.192 -3.173 1.00 0.00 C ATOM 0 H ILE A 103 0.232 -1.845 -6.977 1.00 0.00 H new ATOM 0 HA ILE A 103 0.318 -4.565 -6.324 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.707 -2.103 -4.884 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.649 -3.951 -4.359 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.752 -2.454 -5.265 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -0.914 -3.471 -2.846 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -2.062 -3.986 -4.104 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.589 -4.938 -3.801 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.493 -2.134 -2.956 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.021 -1.185 -3.277 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.917 -2.705 -2.357 1.00 0.00 H new ATOM 1670 N TYR A 104 -2.729 -3.296 -6.678 1.00 0.00 N ATOM 1671 CA TYR A 104 -4.130 -3.648 -6.889 1.00 0.00 C ATOM 1672 C TYR A 104 -4.433 -3.811 -8.375 1.00 0.00 C ATOM 1673 O TYR A 104 -4.638 -2.829 -9.088 1.00 0.00 O ATOM 1674 CB TYR A 104 -5.047 -2.582 -6.284 1.00 0.00 C ATOM 1675 CG TYR A 104 -4.985 -2.507 -4.774 1.00 0.00 C ATOM 1676 CD1 TYR A 104 -5.794 -3.315 -3.985 1.00 0.00 C ATOM 1677 CD2 TYR A 104 -4.116 -1.629 -4.141 1.00 0.00 C ATOM 1678 CE1 TYR A 104 -5.741 -3.248 -2.606 1.00 0.00 C ATOM 1679 CE2 TYR A 104 -4.055 -1.556 -2.761 1.00 0.00 C ATOM 1680 CZ TYR A 104 -4.869 -2.367 -1.999 1.00 0.00 C ATOM 1681 OH TYR A 104 -4.812 -2.298 -0.626 1.00 0.00 O ATOM 0 H TYR A 104 -2.537 -2.295 -6.703 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.316 -4.600 -6.391 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -4.780 -1.610 -6.698 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -6.074 -2.786 -6.586 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -6.476 -4.007 -4.457 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -3.477 -0.993 -4.735 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.378 -3.881 -2.007 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -3.374 -0.868 -2.283 1.00 0.00 H new ATOM 0 HH TYR A 104 -4.147 -1.629 -0.359 1.00 0.00 H new