USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=25 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 78 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -116:sc= 0.699 (180deg=-0.123) USER MOD Single : A 40 SER OG : rot 140:sc= -0.266 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 144:sc= -0.351 (180deg=-2.66!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -15:sc= -2.67! USER MOD Single : A 49 THR OG1 : rot -169:sc= -1.12 USER MOD Single : A 50 MET CE :methyl 155:sc= -0.297 (180deg=-1.21) USER MOD Single : A 51 LYS NZ :NH3+ -165:sc= -0.0323 (180deg=-0.297) USER MOD Single : A 56 TYR OH : rot 165:sc= -0.016 USER MOD Single : A 59 GLN : amide:sc= -1.41! K(o=-1.4!,f=0.56) USER MOD Single : A 60 TYR OH : rot 17:sc= -2.24! USER MOD Single : A 62 MET CE :methyl -159:sc= -0.125 (180deg=-0.679) USER MOD Single : A 63 THR OG1 : rot 54:sc= 0.848 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -3.72! K(o=-3.7!,f=-0.26) USER MOD Single : A 72 GLN : amide:sc= -1.69 K(o=-1.7,f=-2.5) USER MOD Single : A 73 HIS : no HD1:sc= -3.46! C(o=-3.5!,f=-4!) USER MOD Single : A 76 TYR OH : rot -176:sc= 0.284 USER MOD Single : A 77 CYS SG : rot -160:sc= -0.604 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -120:sc= -2.18! USER MOD Single : A 94 LYS NZ :NH3+ -167:sc= -0.041 (180deg=-0.234) USER MOD Single : A 96 HIS : no HD1:sc= -1.35 X(o=-1.3,f=-0.95) USER MOD Single : A 98 LYS NZ :NH3+ 144:sc= -2.32! (180deg=-4.4!) USER MOD Single : A 100 TYR OH : rot -112:sc= -0.788 USER MOD Single : A 101 THR OG1 : rot 64:sc= 1.27 USER MOD Single : A 102 MET CE :methyl 131:sc= -8.81! (180deg=-11.4!) USER MOD Single : A 104 TYR OH : rot 180:sc= -1.22 USER MOD ----------------------------------------------------------------- ATOM 347 N THR A 26 -11.534 1.376 -1.786 1.00 0.00 N ATOM 348 CA THR A 26 -11.450 -0.036 -2.137 1.00 0.00 C ATOM 349 C THR A 26 -12.150 -0.890 -1.097 1.00 0.00 C ATOM 350 O THR A 26 -12.783 -1.895 -1.423 1.00 0.00 O ATOM 351 CB THR A 26 -9.985 -0.503 -2.290 1.00 0.00 C ATOM 352 OG1 THR A 26 -9.477 -0.116 -3.571 1.00 0.00 O ATOM 353 CG2 THR A 26 -9.871 -2.008 -2.124 1.00 0.00 C ATOM 0 HA THR A 26 -11.949 -0.156 -3.099 1.00 0.00 H new ATOM 0 HB THR A 26 -9.395 -0.026 -1.508 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.548 -0.415 -3.658 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.829 -2.309 -2.237 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.226 -2.293 -1.133 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.476 -2.505 -2.883 1.00 0.00 H new ATOM 361 N LEU A 27 -11.988 -0.507 0.156 1.00 0.00 N ATOM 362 CA LEU A 27 -12.257 -1.395 1.258 1.00 0.00 C ATOM 363 C LEU A 27 -11.502 -2.685 1.033 1.00 0.00 C ATOM 364 O LEU A 27 -12.021 -3.631 0.442 1.00 0.00 O ATOM 365 CB LEU A 27 -13.755 -1.665 1.406 1.00 0.00 C ATOM 366 CG LEU A 27 -14.206 -1.913 2.846 1.00 0.00 C ATOM 367 CD1 LEU A 27 -13.249 -2.872 3.531 1.00 0.00 C ATOM 368 CD2 LEU A 27 -14.277 -0.601 3.611 1.00 0.00 C ATOM 0 H LEU A 27 -11.669 0.422 0.431 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.925 -0.926 2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.308 -0.815 1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.019 -2.532 0.800 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.201 -2.358 2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.577 -3.043 4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.235 -3.819 2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.247 -2.443 3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.599 -0.793 4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.293 -0.133 3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.990 0.065 3.125 1.00 0.00 H new ATOM 380 N VAL A 28 -10.237 -2.670 1.416 1.00 0.00 N ATOM 381 CA VAL A 28 -9.273 -3.599 0.877 1.00 0.00 C ATOM 382 C VAL A 28 -9.414 -4.948 1.511 1.00 0.00 C ATOM 383 O VAL A 28 -9.139 -5.126 2.697 1.00 0.00 O ATOM 384 CB VAL A 28 -7.855 -3.098 1.087 1.00 0.00 C ATOM 385 CG1 VAL A 28 -6.848 -4.105 0.564 1.00 0.00 C ATOM 386 CG2 VAL A 28 -7.701 -1.757 0.414 1.00 0.00 C ATOM 0 H VAL A 28 -9.857 -2.018 2.103 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.469 -3.682 -0.192 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.662 -2.978 2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.838 -3.727 0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.970 -5.050 1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.011 -4.263 -0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.685 -1.391 0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.899 -1.860 -0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.408 -1.049 0.847 1.00 0.00 H new ATOM 396 N ARG A 29 -9.870 -5.892 0.726 1.00 0.00 N ATOM 397 CA ARG A 29 -10.225 -7.175 1.264 1.00 0.00 C ATOM 398 C ARG A 29 -9.758 -8.305 0.345 1.00 0.00 C ATOM 399 O ARG A 29 -10.574 -9.055 -0.191 1.00 0.00 O ATOM 400 CB ARG A 29 -11.738 -7.251 1.482 1.00 0.00 C ATOM 401 CG ARG A 29 -12.331 -5.997 2.117 1.00 0.00 C ATOM 402 CD ARG A 29 -13.850 -6.042 2.121 1.00 0.00 C ATOM 403 NE ARG A 29 -14.364 -7.234 2.788 1.00 0.00 N ATOM 404 CZ ARG A 29 -15.652 -7.437 3.050 1.00 0.00 C ATOM 405 NH1 ARG A 29 -16.553 -6.529 2.703 1.00 0.00 N ATOM 406 NH2 ARG A 29 -16.038 -8.549 3.660 1.00 0.00 N ATOM 0 H ARG A 29 -10.002 -5.795 -0.281 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.723 -7.296 2.224 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.226 -7.427 0.523 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.962 -8.109 2.116 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.966 -5.898 3.139 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.993 -5.116 1.571 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.237 -5.153 2.620 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.215 -6.016 1.094 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.697 -7.953 3.069 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.259 -5.672 2.234 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.540 -6.687 2.905 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.347 -9.249 3.929 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.026 -8.704 3.861 1.00 0.00 H new ATOM 420 N PRO A 30 -8.435 -8.420 0.132 1.00 0.00 N ATOM 421 CA PRO A 30 -7.870 -9.341 -0.847 1.00 0.00 C ATOM 422 C PRO A 30 -7.575 -10.717 -0.257 1.00 0.00 C ATOM 423 O PRO A 30 -7.497 -10.878 0.961 1.00 0.00 O ATOM 424 CB PRO A 30 -6.574 -8.640 -1.236 1.00 0.00 C ATOM 425 CG PRO A 30 -6.136 -7.938 0.008 1.00 0.00 C ATOM 426 CD PRO A 30 -7.383 -7.638 0.808 1.00 0.00 C ATOM 0 HA PRO A 30 -8.549 -9.537 -1.677 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.823 -9.354 -1.573 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.734 -7.936 -2.053 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.450 -8.562 0.582 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.603 -7.019 -0.235 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.271 -7.937 1.850 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.613 -6.573 0.805 1.00 0.00 H new ATOM 434 N LYS A 31 -7.381 -11.698 -1.133 1.00 0.00 N ATOM 435 CA LYS A 31 -6.907 -13.015 -0.717 1.00 0.00 C ATOM 436 C LYS A 31 -5.492 -12.913 -0.150 1.00 0.00 C ATOM 437 O LYS A 31 -4.802 -11.921 -0.382 1.00 0.00 O ATOM 438 CB LYS A 31 -6.931 -13.989 -1.899 1.00 0.00 C ATOM 439 CG LYS A 31 -8.330 -14.296 -2.415 1.00 0.00 C ATOM 440 CD LYS A 31 -8.876 -13.167 -3.277 1.00 0.00 C ATOM 441 CE LYS A 31 -8.086 -13.017 -4.567 1.00 0.00 C ATOM 442 NZ LYS A 31 -8.606 -11.905 -5.412 1.00 0.00 N ATOM 0 H LYS A 31 -7.545 -11.607 -2.136 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.571 -13.392 0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.337 -13.573 -2.713 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.452 -14.921 -1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.309 -15.218 -2.995 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.999 -14.465 -1.571 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.923 -13.360 -3.511 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.842 -12.232 -2.718 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.038 -12.834 -4.331 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.128 -13.950 -5.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.040 -11.836 -6.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.599 -12.092 -5.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.542 -11.010 -4.886 1.00 0.00 H new ATOM 456 N PRO A 32 -5.043 -13.935 0.605 1.00 0.00 N ATOM 457 CA PRO A 32 -3.709 -13.950 1.212 1.00 0.00 C ATOM 458 C PRO A 32 -2.622 -13.508 0.237 1.00 0.00 C ATOM 459 O PRO A 32 -2.123 -14.306 -0.556 1.00 0.00 O ATOM 460 CB PRO A 32 -3.502 -15.417 1.624 1.00 0.00 C ATOM 461 CG PRO A 32 -4.686 -16.166 1.094 1.00 0.00 C ATOM 462 CD PRO A 32 -5.785 -15.158 0.928 1.00 0.00 C ATOM 0 HA PRO A 32 -3.642 -13.254 2.048 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.574 -15.811 1.210 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.433 -15.512 2.708 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.450 -16.643 0.143 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.985 -16.957 1.782 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.475 -15.437 0.132 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.375 -15.047 1.837 1.00 0.00 H new ATOM 470 N LEU A 33 -2.278 -12.224 0.291 1.00 0.00 N ATOM 471 CA LEU A 33 -1.332 -11.640 -0.652 1.00 0.00 C ATOM 472 C LEU A 33 -0.935 -10.239 -0.204 1.00 0.00 C ATOM 473 O LEU A 33 0.179 -9.785 -0.459 1.00 0.00 O ATOM 474 CB LEU A 33 -1.949 -11.594 -2.055 1.00 0.00 C ATOM 475 CG LEU A 33 -0.961 -11.713 -3.221 1.00 0.00 C ATOM 476 CD1 LEU A 33 -0.052 -10.496 -3.285 1.00 0.00 C ATOM 477 CD2 LEU A 33 -0.141 -12.988 -3.102 1.00 0.00 C ATOM 0 H LEU A 33 -2.642 -11.567 0.981 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.437 -12.261 -0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.678 -12.400 -2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.496 -10.657 -2.161 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.534 -11.759 -4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.641 -10.603 -4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.655 -9.599 -3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.511 -10.413 -2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.554 -13.053 -3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.418 -12.975 -2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.807 -13.851 -3.115 1.00 0.00 H new ATOM 489 N LEU A 34 -1.855 -9.566 0.480 1.00 0.00 N ATOM 490 CA LEU A 34 -1.608 -8.242 1.013 1.00 0.00 C ATOM 491 C LEU A 34 -1.927 -8.256 2.489 1.00 0.00 C ATOM 492 O LEU A 34 -2.177 -7.219 3.100 1.00 0.00 O ATOM 493 CB LEU A 34 -2.466 -7.195 0.296 1.00 0.00 C ATOM 494 CG LEU A 34 -1.777 -6.472 -0.864 1.00 0.00 C ATOM 495 CD1 LEU A 34 -1.112 -7.471 -1.798 1.00 0.00 C ATOM 496 CD2 LEU A 34 -2.775 -5.609 -1.622 1.00 0.00 C ATOM 0 H LEU A 34 -2.788 -9.927 0.677 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.563 -7.976 0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.364 -7.682 -0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.790 -6.452 1.025 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.004 -5.822 -0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.628 -6.938 -2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.366 -8.044 -1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.865 -8.148 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.268 -5.102 -2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.571 -6.238 -2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.202 -4.868 -0.946 1.00 0.00 H new ATOM 508 N LEU A 35 -1.939 -9.459 3.044 1.00 0.00 N ATOM 509 CA LEU A 35 -2.276 -9.650 4.438 1.00 0.00 C ATOM 510 C LEU A 35 -1.288 -10.602 5.091 1.00 0.00 C ATOM 511 O LEU A 35 -0.746 -10.317 6.151 1.00 0.00 O ATOM 512 CB LEU A 35 -3.693 -10.194 4.573 1.00 0.00 C ATOM 513 CG LEU A 35 -4.695 -9.618 3.579 1.00 0.00 C ATOM 514 CD1 LEU A 35 -4.703 -10.441 2.301 1.00 0.00 C ATOM 515 CD2 LEU A 35 -6.076 -9.572 4.203 1.00 0.00 C ATOM 0 H LEU A 35 -1.717 -10.319 2.543 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.223 -8.685 4.942 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.665 -11.277 4.453 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.049 -9.995 5.584 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.399 -8.601 3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.423 -10.018 1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.709 -10.427 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.982 -11.469 2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.786 -9.159 3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.384 -10.580 4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.052 -8.943 5.093 1.00 0.00 H new ATOM 527 N LYS A 36 -0.982 -11.692 4.400 1.00 0.00 N ATOM 528 CA LYS A 36 0.272 -12.388 4.626 1.00 0.00 C ATOM 529 C LYS A 36 1.424 -11.398 4.502 1.00 0.00 C ATOM 530 O LYS A 36 2.547 -11.669 4.922 1.00 0.00 O ATOM 531 CB LYS A 36 0.443 -13.528 3.621 1.00 0.00 C ATOM 532 CG LYS A 36 1.536 -14.514 4.001 1.00 0.00 C ATOM 533 CD LYS A 36 1.680 -15.619 2.966 1.00 0.00 C ATOM 534 CE LYS A 36 2.158 -15.076 1.628 1.00 0.00 C ATOM 535 NZ LYS A 36 2.300 -16.153 0.610 1.00 0.00 N ATOM 0 H LYS A 36 -1.580 -12.108 3.686 1.00 0.00 H new ATOM 0 HA LYS A 36 0.267 -12.818 5.628 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.502 -14.064 3.527 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.669 -13.107 2.641 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.484 -13.985 4.103 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.309 -14.953 4.973 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.385 -16.367 3.328 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.722 -16.121 2.834 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.453 -14.327 1.268 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.116 -14.574 1.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.628 -15.742 -0.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.992 -16.855 0.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.380 -16.616 0.463 1.00 0.00 H new ATOM 549 N LEU A 37 1.109 -10.233 3.940 1.00 0.00 N ATOM 550 CA LEU A 37 2.044 -9.129 3.857 1.00 0.00 C ATOM 551 C LEU A 37 1.969 -8.283 5.128 1.00 0.00 C ATOM 552 O LEU A 37 2.991 -7.848 5.659 1.00 0.00 O ATOM 553 CB LEU A 37 1.707 -8.280 2.619 1.00 0.00 C ATOM 554 CG LEU A 37 2.763 -7.254 2.203 1.00 0.00 C ATOM 555 CD1 LEU A 37 2.881 -6.163 3.250 1.00 0.00 C ATOM 556 CD2 LEU A 37 4.109 -7.928 1.975 1.00 0.00 C ATOM 0 H LEU A 37 0.196 -10.034 3.531 1.00 0.00 H new ATOM 0 HA LEU A 37 3.060 -9.511 3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.531 -8.952 1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.771 -7.753 2.808 1.00 0.00 H new ATOM 0 HG LEU A 37 2.449 -6.799 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.636 -5.441 2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.921 -5.659 3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.171 -6.604 4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.845 -7.180 1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.434 -8.413 2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.013 -8.674 1.186 1.00 0.00 H new ATOM 568 N LEU A 38 0.747 -8.039 5.595 1.00 0.00 N ATOM 569 CA LEU A 38 0.518 -7.104 6.694 1.00 0.00 C ATOM 570 C LEU A 38 0.464 -7.825 8.039 1.00 0.00 C ATOM 571 O LEU A 38 1.177 -7.467 8.975 1.00 0.00 O ATOM 572 CB LEU A 38 -0.784 -6.336 6.472 1.00 0.00 C ATOM 573 CG LEU A 38 -0.909 -5.634 5.121 1.00 0.00 C ATOM 574 CD1 LEU A 38 -2.186 -4.812 5.071 1.00 0.00 C ATOM 575 CD2 LEU A 38 0.298 -4.753 4.863 1.00 0.00 C ATOM 0 H LEU A 38 -0.100 -8.475 5.230 1.00 0.00 H new ATOM 0 HA LEU A 38 1.355 -6.406 6.713 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.618 -7.029 6.580 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.885 -5.590 7.260 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.952 -6.393 4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.262 -4.317 4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.046 -5.467 5.213 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.167 -4.062 5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.190 -4.262 3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.372 -3.999 5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.201 -5.364 4.861 1.00 0.00 H new ATOM 587 N LYS A 39 -0.378 -8.849 8.123 1.00 0.00 N ATOM 588 CA LYS A 39 -0.410 -9.727 9.290 1.00 0.00 C ATOM 589 C LYS A 39 1.001 -10.078 9.756 1.00 0.00 C ATOM 590 O LYS A 39 1.226 -10.357 10.933 1.00 0.00 O ATOM 591 CB LYS A 39 -1.182 -11.006 8.964 1.00 0.00 C ATOM 592 CG LYS A 39 -2.615 -10.757 8.520 1.00 0.00 C ATOM 593 CD LYS A 39 -3.224 -12.003 7.901 1.00 0.00 C ATOM 594 CE LYS A 39 -4.682 -11.793 7.530 1.00 0.00 C ATOM 595 NZ LYS A 39 -5.523 -11.501 8.723 1.00 0.00 N ATOM 0 H LYS A 39 -1.050 -9.093 7.395 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.914 -9.196 10.097 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.656 -11.547 8.178 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.190 -11.650 9.844 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.214 -10.443 9.375 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.638 -9.941 7.798 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.659 -12.280 7.011 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.143 -12.834 8.602 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.761 -10.970 6.820 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.061 -12.684 7.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.217 -12.265 8.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.918 -11.434 9.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.023 -10.600 8.583 1.00 0.00 H new ATOM 609 N SER A 40 1.953 -10.042 8.826 1.00 0.00 N ATOM 610 CA SER A 40 3.359 -10.249 9.160 1.00 0.00 C ATOM 611 C SER A 40 3.883 -9.118 10.040 1.00 0.00 C ATOM 612 O SER A 40 4.435 -9.359 11.112 1.00 0.00 O ATOM 613 CB SER A 40 4.196 -10.351 7.883 1.00 0.00 C ATOM 614 OG SER A 40 5.565 -10.557 8.186 1.00 0.00 O ATOM 0 H SER A 40 1.776 -9.871 7.836 1.00 0.00 H new ATOM 0 HA SER A 40 3.442 -11.183 9.716 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.829 -11.173 7.268 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.083 -9.439 7.297 1.00 0.00 H new ATOM 0 HG SER A 40 5.946 -11.204 7.556 1.00 0.00 H new ATOM 620 N VAL A 41 3.701 -7.880 9.580 1.00 0.00 N ATOM 621 CA VAL A 41 4.111 -6.709 10.356 1.00 0.00 C ATOM 622 C VAL A 41 3.459 -6.720 11.733 1.00 0.00 C ATOM 623 O VAL A 41 4.119 -6.494 12.747 1.00 0.00 O ATOM 624 CB VAL A 41 3.744 -5.379 9.658 1.00 0.00 C ATOM 625 CG1 VAL A 41 4.931 -4.432 9.651 1.00 0.00 C ATOM 626 CG2 VAL A 41 3.239 -5.611 8.244 1.00 0.00 C ATOM 0 H VAL A 41 3.275 -7.662 8.679 1.00 0.00 H new ATOM 0 HA VAL A 41 5.196 -6.770 10.445 1.00 0.00 H new ATOM 0 HB VAL A 41 2.936 -4.921 10.228 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.652 -3.502 9.155 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.233 -4.220 10.677 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.761 -4.893 9.116 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.991 -4.654 7.785 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.014 -6.105 7.657 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.350 -6.241 8.274 1.00 0.00 H new ATOM 636 N GLY A 42 2.153 -6.966 11.755 1.00 0.00 N ATOM 637 CA GLY A 42 1.402 -6.889 12.993 1.00 0.00 C ATOM 638 C GLY A 42 -0.093 -6.853 12.758 1.00 0.00 C ATOM 639 O GLY A 42 -0.880 -7.033 13.688 1.00 0.00 O ATOM 0 H GLY A 42 1.601 -7.218 10.935 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.648 -7.747 13.619 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.703 -5.997 13.543 1.00 0.00 H new ATOM 643 N ALA A 43 -0.483 -6.611 11.511 1.00 0.00 N ATOM 644 CA ALA A 43 -1.896 -6.513 11.153 1.00 0.00 C ATOM 645 C ALA A 43 -2.673 -7.741 11.621 1.00 0.00 C ATOM 646 O ALA A 43 -2.169 -8.862 11.572 1.00 0.00 O ATOM 647 CB ALA A 43 -2.042 -6.334 9.649 1.00 0.00 C ATOM 0 H ALA A 43 0.159 -6.479 10.730 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.315 -5.642 11.658 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.099 -6.262 9.392 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.530 -5.423 9.340 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.601 -7.189 9.136 1.00 0.00 H new ATOM 653 N GLN A 44 -3.902 -7.520 12.085 1.00 0.00 N ATOM 654 CA GLN A 44 -4.724 -8.602 12.625 1.00 0.00 C ATOM 655 C GLN A 44 -6.212 -8.324 12.417 1.00 0.00 C ATOM 656 O GLN A 44 -6.951 -8.114 13.379 1.00 0.00 O ATOM 657 CB GLN A 44 -4.438 -8.796 14.117 1.00 0.00 C ATOM 658 CG GLN A 44 -3.033 -9.295 14.414 1.00 0.00 C ATOM 659 CD GLN A 44 -2.782 -9.483 15.899 1.00 0.00 C ATOM 660 OE1 GLN A 44 -3.018 -10.558 16.448 1.00 0.00 O ATOM 661 NE2 GLN A 44 -2.303 -8.433 16.555 1.00 0.00 N ATOM 0 H GLN A 44 -4.350 -6.604 12.098 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.466 -9.514 12.087 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.593 -7.849 14.633 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -5.159 -9.504 14.526 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.871 -10.242 13.899 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.308 -8.587 14.013 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.122 -7.561 16.058 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.116 -8.499 17.556 1.00 0.00 H new ATOM 670 N LYS A 45 -6.650 -8.349 11.162 1.00 0.00 N ATOM 671 CA LYS A 45 -8.073 -8.249 10.848 1.00 0.00 C ATOM 672 C LYS A 45 -8.449 -9.196 9.713 1.00 0.00 C ATOM 673 O LYS A 45 -7.583 -9.689 8.991 1.00 0.00 O ATOM 674 CB LYS A 45 -8.442 -6.814 10.463 1.00 0.00 C ATOM 675 CG LYS A 45 -7.990 -5.773 11.473 1.00 0.00 C ATOM 676 CD LYS A 45 -8.405 -4.369 11.057 1.00 0.00 C ATOM 677 CE LYS A 45 -7.670 -3.916 9.806 1.00 0.00 C ATOM 678 NZ LYS A 45 -6.197 -3.871 10.011 1.00 0.00 N ATOM 0 H LYS A 45 -6.043 -8.437 10.347 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.630 -8.533 11.741 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.000 -6.583 9.494 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.523 -6.746 10.344 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.416 -6.004 12.449 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.906 -5.816 11.580 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.480 -4.345 10.877 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.202 -3.673 11.871 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.901 -4.594 8.984 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.026 -2.928 9.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.716 -4.163 9.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.910 -2.902 10.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.934 -4.516 10.783 1.00 0.00 H new ATOM 692 N ASP A 46 -9.748 -9.432 9.554 1.00 0.00 N ATOM 693 CA ASP A 46 -10.246 -10.254 8.456 1.00 0.00 C ATOM 694 C ASP A 46 -10.262 -9.460 7.153 1.00 0.00 C ATOM 695 O ASP A 46 -10.154 -10.028 6.067 1.00 0.00 O ATOM 696 CB ASP A 46 -11.652 -10.767 8.773 1.00 0.00 C ATOM 697 CG ASP A 46 -12.640 -9.642 9.011 1.00 0.00 C ATOM 698 OD1 ASP A 46 -12.770 -9.203 10.173 1.00 0.00 O ATOM 699 OD2 ASP A 46 -13.282 -9.201 8.035 1.00 0.00 O ATOM 0 H ASP A 46 -10.474 -9.066 10.170 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.577 -11.106 8.336 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.004 -11.387 7.948 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.612 -11.404 9.656 1.00 0.00 H new ATOM 704 N THR A 47 -10.383 -8.142 7.275 1.00 0.00 N ATOM 705 CA THR A 47 -10.318 -7.254 6.121 1.00 0.00 C ATOM 706 C THR A 47 -9.402 -6.078 6.386 1.00 0.00 C ATOM 707 O THR A 47 -8.850 -5.933 7.477 1.00 0.00 O ATOM 708 CB THR A 47 -11.706 -6.703 5.743 1.00 0.00 C ATOM 709 OG1 THR A 47 -12.295 -6.047 6.872 1.00 0.00 O ATOM 710 CG2 THR A 47 -12.625 -7.808 5.261 1.00 0.00 C ATOM 0 H THR A 47 -10.527 -7.665 8.165 1.00 0.00 H new ATOM 0 HA THR A 47 -9.929 -7.853 5.298 1.00 0.00 H new ATOM 0 HB THR A 47 -11.574 -5.989 4.930 1.00 0.00 H new ATOM 0 HG1 THR A 47 -13.176 -5.698 6.624 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.596 -7.386 5.002 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.191 -8.285 4.382 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.750 -8.548 6.051 1.00 0.00 H new ATOM 718 N TYR A 48 -9.258 -5.227 5.379 1.00 0.00 N ATOM 719 CA TYR A 48 -8.472 -4.018 5.513 1.00 0.00 C ATOM 720 C TYR A 48 -9.105 -2.872 4.755 1.00 0.00 C ATOM 721 O TYR A 48 -10.164 -3.017 4.143 1.00 0.00 O ATOM 722 CB TYR A 48 -7.064 -4.247 4.983 1.00 0.00 C ATOM 723 CG TYR A 48 -6.247 -5.161 5.849 1.00 0.00 C ATOM 724 CD1 TYR A 48 -6.252 -6.530 5.645 1.00 0.00 C ATOM 725 CD2 TYR A 48 -5.470 -4.646 6.873 1.00 0.00 C ATOM 726 CE1 TYR A 48 -5.501 -7.369 6.439 1.00 0.00 C ATOM 727 CE2 TYR A 48 -4.713 -5.481 7.676 1.00 0.00 C ATOM 728 CZ TYR A 48 -4.733 -6.843 7.449 1.00 0.00 C ATOM 729 OH TYR A 48 -3.989 -7.685 8.242 1.00 0.00 O ATOM 0 H TYR A 48 -9.679 -5.357 4.459 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.432 -3.762 6.572 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.125 -4.667 3.979 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.555 -3.287 4.897 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.854 -6.947 4.851 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.455 -3.580 7.047 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.516 -8.435 6.268 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.111 -5.071 8.474 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.297 -8.607 8.119 1.00 0.00 H new ATOM 739 N THR A 49 -8.403 -1.755 4.737 1.00 0.00 N ATOM 740 CA THR A 49 -8.645 -0.731 3.737 1.00 0.00 C ATOM 741 C THR A 49 -7.331 -0.159 3.235 1.00 0.00 C ATOM 742 O THR A 49 -6.259 -0.661 3.565 1.00 0.00 O ATOM 743 CB THR A 49 -9.519 0.415 4.269 1.00 0.00 C ATOM 744 OG1 THR A 49 -8.830 1.119 5.309 1.00 0.00 O ATOM 745 CG2 THR A 49 -10.846 -0.110 4.797 1.00 0.00 C ATOM 0 H THR A 49 -7.662 -1.533 5.402 1.00 0.00 H new ATOM 0 HA THR A 49 -9.182 -1.214 2.921 1.00 0.00 H new ATOM 0 HB THR A 49 -9.721 1.097 3.443 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.451 1.729 5.758 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.445 0.722 5.167 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.383 -0.615 3.994 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.662 -0.814 5.609 1.00 0.00 H new ATOM 753 N MET A 50 -7.423 0.871 2.413 1.00 0.00 N ATOM 754 CA MET A 50 -6.266 1.368 1.690 1.00 0.00 C ATOM 755 C MET A 50 -5.513 2.413 2.505 1.00 0.00 C ATOM 756 O MET A 50 -4.447 2.874 2.101 1.00 0.00 O ATOM 757 CB MET A 50 -6.710 1.947 0.350 1.00 0.00 C ATOM 758 CG MET A 50 -7.701 3.090 0.473 1.00 0.00 C ATOM 759 SD MET A 50 -6.925 4.657 0.915 1.00 0.00 S ATOM 760 CE MET A 50 -5.833 4.902 -0.484 1.00 0.00 C ATOM 0 H MET A 50 -8.288 1.380 2.229 1.00 0.00 H new ATOM 0 HA MET A 50 -5.583 0.537 1.513 1.00 0.00 H new ATOM 0 HB2 MET A 50 -5.832 2.297 -0.192 1.00 0.00 H new ATOM 0 HB3 MET A 50 -7.158 1.153 -0.247 1.00 0.00 H new ATOM 0 HG2 MET A 50 -8.230 3.208 -0.473 1.00 0.00 H new ATOM 0 HG3 MET A 50 -8.447 2.836 1.226 1.00 0.00 H new ATOM 0 HE1 MET A 50 -5.628 5.966 -0.603 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.898 4.369 -0.313 1.00 0.00 H new ATOM 0 HE3 MET A 50 -6.308 4.521 -1.388 1.00 0.00 H new ATOM 770 N LYS A 51 -6.058 2.762 3.667 1.00 0.00 N ATOM 771 CA LYS A 51 -5.366 3.645 4.597 1.00 0.00 C ATOM 772 C LYS A 51 -4.556 2.824 5.590 1.00 0.00 C ATOM 773 O LYS A 51 -3.379 3.100 5.833 1.00 0.00 O ATOM 774 CB LYS A 51 -6.365 4.541 5.336 1.00 0.00 C ATOM 775 CG LYS A 51 -7.460 3.772 6.059 1.00 0.00 C ATOM 776 CD LYS A 51 -8.414 4.706 6.787 1.00 0.00 C ATOM 777 CE LYS A 51 -7.719 5.452 7.916 1.00 0.00 C ATOM 778 NZ LYS A 51 -7.156 4.520 8.933 1.00 0.00 N ATOM 0 H LYS A 51 -6.974 2.447 3.985 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.688 4.284 4.031 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.825 5.152 6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.824 5.224 4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.017 3.170 5.341 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.010 3.082 6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.832 5.423 6.080 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.249 4.132 7.190 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.919 6.068 7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.428 6.127 8.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.921 5.050 9.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.858 3.786 9.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.296 4.073 8.556 1.00 0.00 H new ATOM 792 N GLU A 52 -5.178 1.771 6.110 1.00 0.00 N ATOM 793 CA GLU A 52 -4.450 0.715 6.791 1.00 0.00 C ATOM 794 C GLU A 52 -3.275 0.260 5.936 1.00 0.00 C ATOM 795 O GLU A 52 -2.117 0.471 6.290 1.00 0.00 O ATOM 796 CB GLU A 52 -5.375 -0.470 7.070 1.00 0.00 C ATOM 797 CG GLU A 52 -5.042 -1.228 8.345 1.00 0.00 C ATOM 798 CD GLU A 52 -5.350 -0.432 9.597 1.00 0.00 C ATOM 799 OE1 GLU A 52 -6.510 -0.477 10.058 1.00 0.00 O ATOM 800 OE2 GLU A 52 -4.431 0.230 10.121 1.00 0.00 O ATOM 0 H GLU A 52 -6.187 1.629 6.071 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.076 1.102 7.739 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.402 -0.109 7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.329 -1.160 6.227 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.605 -2.161 8.365 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.985 -1.493 8.339 1.00 0.00 H new ATOM 807 N VAL A 53 -3.592 -0.353 4.798 1.00 0.00 N ATOM 808 CA VAL A 53 -2.577 -0.852 3.880 1.00 0.00 C ATOM 809 C VAL A 53 -1.626 0.261 3.442 1.00 0.00 C ATOM 810 O VAL A 53 -0.457 0.005 3.152 1.00 0.00 O ATOM 811 CB VAL A 53 -3.217 -1.492 2.632 1.00 0.00 C ATOM 812 CG1 VAL A 53 -2.148 -1.950 1.651 1.00 0.00 C ATOM 813 CG2 VAL A 53 -4.113 -2.656 3.029 1.00 0.00 C ATOM 0 H VAL A 53 -4.551 -0.516 4.490 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.010 -1.611 4.419 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.830 -0.738 2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.623 -2.398 0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.550 -1.094 1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.504 -2.686 2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.556 -3.095 2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.521 -3.410 3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.904 -2.298 3.688 1.00 0.00 H new ATOM 823 N LEU A 54 -2.121 1.495 3.408 1.00 0.00 N ATOM 824 CA LEU A 54 -1.270 2.643 3.108 1.00 0.00 C ATOM 825 C LEU A 54 -0.002 2.609 3.955 1.00 0.00 C ATOM 826 O LEU A 54 1.090 2.356 3.445 1.00 0.00 O ATOM 827 CB LEU A 54 -2.023 3.955 3.349 1.00 0.00 C ATOM 828 CG LEU A 54 -1.209 5.229 3.096 1.00 0.00 C ATOM 829 CD1 LEU A 54 -0.732 5.281 1.653 1.00 0.00 C ATOM 830 CD2 LEU A 54 -2.035 6.460 3.431 1.00 0.00 C ATOM 0 H LEU A 54 -3.099 1.725 3.583 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.991 2.588 2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.905 3.973 2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.378 3.968 4.380 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.333 5.214 3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.156 6.192 1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.105 4.414 1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.593 5.274 0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.443 7.357 3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.928 6.480 2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.327 6.428 4.481 1.00 0.00 H new ATOM 842 N PHE A 55 -0.148 2.868 5.249 1.00 0.00 N ATOM 843 CA PHE A 55 1.008 2.945 6.133 1.00 0.00 C ATOM 844 C PHE A 55 1.492 1.555 6.539 1.00 0.00 C ATOM 845 O PHE A 55 2.599 1.410 7.048 1.00 0.00 O ATOM 846 CB PHE A 55 0.692 3.783 7.377 1.00 0.00 C ATOM 847 CG PHE A 55 -0.582 3.399 8.076 1.00 0.00 C ATOM 848 CD1 PHE A 55 -0.685 2.196 8.757 1.00 0.00 C ATOM 849 CD2 PHE A 55 -1.676 4.250 8.058 1.00 0.00 C ATOM 850 CE1 PHE A 55 -1.855 1.848 9.404 1.00 0.00 C ATOM 851 CE2 PHE A 55 -2.848 3.908 8.705 1.00 0.00 C ATOM 852 CZ PHE A 55 -2.938 2.706 9.378 1.00 0.00 C ATOM 0 H PHE A 55 -1.046 3.027 5.706 1.00 0.00 H new ATOM 0 HA PHE A 55 1.810 3.434 5.580 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.520 3.693 8.081 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.632 4.832 7.088 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.159 1.523 8.782 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.612 5.191 7.532 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.923 0.907 9.929 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.693 4.580 8.684 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.854 2.437 9.884 1.00 0.00 H new ATOM 862 N TYR A 56 0.660 0.538 6.311 1.00 0.00 N ATOM 863 CA TYR A 56 1.008 -0.830 6.692 1.00 0.00 C ATOM 864 C TYR A 56 1.908 -1.484 5.654 1.00 0.00 C ATOM 865 O TYR A 56 3.012 -1.925 5.969 1.00 0.00 O ATOM 866 CB TYR A 56 -0.246 -1.679 6.893 1.00 0.00 C ATOM 867 CG TYR A 56 -0.373 -2.233 8.293 1.00 0.00 C ATOM 868 CD1 TYR A 56 0.751 -2.652 8.999 1.00 0.00 C ATOM 869 CD2 TYR A 56 -1.612 -2.331 8.909 1.00 0.00 C ATOM 870 CE1 TYR A 56 0.641 -3.154 10.280 1.00 0.00 C ATOM 871 CE2 TYR A 56 -1.731 -2.832 10.191 1.00 0.00 C ATOM 872 CZ TYR A 56 -0.602 -3.243 10.873 1.00 0.00 C ATOM 873 OH TYR A 56 -0.718 -3.742 12.150 1.00 0.00 O ATOM 0 H TYR A 56 -0.253 0.635 5.867 1.00 0.00 H new ATOM 0 HA TYR A 56 1.551 -0.772 7.635 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.125 -1.076 6.667 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.235 -2.505 6.182 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.725 -2.583 8.537 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.497 -2.011 8.379 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.522 -3.475 10.815 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.702 -2.902 10.658 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.602 -3.520 12.509 1.00 0.00 H new ATOM 883 N LEU A 57 1.445 -1.527 4.413 1.00 0.00 N ATOM 884 CA LEU A 57 2.290 -1.960 3.312 1.00 0.00 C ATOM 885 C LEU A 57 3.570 -1.140 3.297 1.00 0.00 C ATOM 886 O LEU A 57 4.651 -1.664 3.035 1.00 0.00 O ATOM 887 CB LEU A 57 1.550 -1.811 1.979 1.00 0.00 C ATOM 888 CG LEU A 57 1.733 -2.960 0.982 1.00 0.00 C ATOM 889 CD1 LEU A 57 3.203 -3.322 0.832 1.00 0.00 C ATOM 890 CD2 LEU A 57 0.921 -4.172 1.412 1.00 0.00 C ATOM 0 H LEU A 57 0.495 -1.269 4.145 1.00 0.00 H new ATOM 0 HA LEU A 57 2.540 -3.012 3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.486 -1.701 2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.879 -0.887 1.504 1.00 0.00 H new ATOM 0 HG LEU A 57 1.369 -2.628 0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.305 -4.140 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.756 -2.455 0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.602 -3.631 1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.063 -4.979 0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.253 -4.501 2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.135 -3.906 1.455 1.00 0.00 H new ATOM 902 N GLY A 58 3.444 0.143 3.627 1.00 0.00 N ATOM 903 CA GLY A 58 4.615 0.970 3.839 1.00 0.00 C ATOM 904 C GLY A 58 5.594 0.340 4.809 1.00 0.00 C ATOM 905 O GLY A 58 6.799 0.305 4.545 1.00 0.00 O ATOM 0 H GLY A 58 2.552 0.622 3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.113 1.143 2.885 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.306 1.944 4.219 1.00 0.00 H new ATOM 909 N GLN A 59 5.082 -0.179 5.925 1.00 0.00 N ATOM 910 CA GLN A 59 5.916 -0.905 6.872 1.00 0.00 C ATOM 911 C GLN A 59 6.711 -1.994 6.167 1.00 0.00 C ATOM 912 O GLN A 59 7.930 -1.901 6.054 1.00 0.00 O ATOM 913 CB GLN A 59 5.058 -1.528 7.970 1.00 0.00 C ATOM 914 CG GLN A 59 3.992 -0.594 8.509 1.00 0.00 C ATOM 915 CD GLN A 59 4.563 0.530 9.353 1.00 0.00 C ATOM 916 OE1 GLN A 59 4.009 1.628 9.398 1.00 0.00 O ATOM 917 NE2 GLN A 59 5.675 0.261 10.028 1.00 0.00 N ATOM 0 H GLN A 59 4.100 -0.109 6.191 1.00 0.00 H new ATOM 0 HA GLN A 59 6.611 -0.195 7.320 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.579 -2.426 7.580 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.704 -1.841 8.790 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.434 -0.168 7.675 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.283 -1.167 9.107 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.101 -0.663 9.962 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.103 0.979 10.613 1.00 0.00 H new ATOM 926 N TYR A 60 6.020 -3.047 5.731 1.00 0.00 N ATOM 927 CA TYR A 60 6.693 -4.287 5.361 1.00 0.00 C ATOM 928 C TYR A 60 7.725 -4.045 4.261 1.00 0.00 C ATOM 929 O TYR A 60 8.763 -4.703 4.221 1.00 0.00 O ATOM 930 CB TYR A 60 5.678 -5.342 4.915 1.00 0.00 C ATOM 931 CG TYR A 60 6.270 -6.723 4.750 1.00 0.00 C ATOM 932 CD1 TYR A 60 7.051 -7.037 3.647 1.00 0.00 C ATOM 933 CD2 TYR A 60 6.049 -7.711 5.699 1.00 0.00 C ATOM 934 CE1 TYR A 60 7.597 -8.296 3.494 1.00 0.00 C ATOM 935 CE2 TYR A 60 6.590 -8.973 5.555 1.00 0.00 C ATOM 936 CZ TYR A 60 7.364 -9.260 4.451 1.00 0.00 C ATOM 937 OH TYR A 60 7.909 -10.515 4.305 1.00 0.00 O ATOM 0 H TYR A 60 5.005 -3.065 5.627 1.00 0.00 H new ATOM 0 HA TYR A 60 7.215 -4.658 6.243 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.870 -5.388 5.645 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.235 -5.031 3.969 1.00 0.00 H new ATOM 0 HD1 TYR A 60 7.235 -6.284 2.895 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.443 -7.489 6.565 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.203 -8.524 2.630 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.408 -9.731 6.303 1.00 0.00 H new ATOM 0 HH TYR A 60 8.631 -10.483 3.643 1.00 0.00 H new ATOM 947 N ILE A 61 7.453 -3.076 3.390 1.00 0.00 N ATOM 948 CA ILE A 61 8.448 -2.625 2.422 1.00 0.00 C ATOM 949 C ILE A 61 9.734 -2.223 3.129 1.00 0.00 C ATOM 950 O ILE A 61 10.765 -2.881 2.994 1.00 0.00 O ATOM 951 CB ILE A 61 7.944 -1.421 1.605 1.00 0.00 C ATOM 952 CG1 ILE A 61 6.612 -1.741 0.935 1.00 0.00 C ATOM 953 CG2 ILE A 61 8.973 -1.014 0.561 1.00 0.00 C ATOM 954 CD1 ILE A 61 5.911 -0.511 0.410 1.00 0.00 C ATOM 0 H ILE A 61 6.557 -2.591 3.335 1.00 0.00 H new ATOM 0 HA ILE A 61 8.633 -3.460 1.746 1.00 0.00 H new ATOM 0 HB ILE A 61 7.794 -0.587 2.290 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.782 -2.436 0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.963 -2.246 1.650 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.599 -0.162 -0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.905 -0.739 1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.154 -1.849 -0.116 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.969 -0.800 -0.056 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.713 0.174 1.234 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.544 -0.018 -0.327 1.00 0.00 H new ATOM 966 N MET A 62 9.657 -1.139 3.894 1.00 0.00 N ATOM 967 CA MET A 62 10.802 -0.663 4.666 1.00 0.00 C ATOM 968 C MET A 62 11.131 -1.613 5.819 1.00 0.00 C ATOM 969 O MET A 62 12.054 -1.365 6.593 1.00 0.00 O ATOM 970 CB MET A 62 10.531 0.742 5.211 1.00 0.00 C ATOM 971 CG MET A 62 9.375 0.803 6.196 1.00 0.00 C ATOM 972 SD MET A 62 9.067 2.472 6.805 1.00 0.00 S ATOM 973 CE MET A 62 10.626 2.834 7.607 1.00 0.00 C ATOM 0 H MET A 62 8.815 -0.573 3.997 1.00 0.00 H new ATOM 0 HA MET A 62 11.661 -0.629 3.996 1.00 0.00 H new ATOM 0 HB2 MET A 62 11.432 1.113 5.699 1.00 0.00 H new ATOM 0 HB3 MET A 62 10.322 1.412 4.377 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.473 0.424 5.715 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.587 0.146 7.040 1.00 0.00 H new ATOM 0 HE1 MET A 62 10.485 3.635 8.332 1.00 0.00 H new ATOM 0 HE2 MET A 62 10.988 1.942 8.118 1.00 0.00 H new ATOM 0 HE3 MET A 62 11.356 3.146 6.860 1.00 0.00 H new ATOM 983 N THR A 63 10.375 -2.703 5.922 1.00 0.00 N ATOM 984 CA THR A 63 10.604 -3.704 6.961 1.00 0.00 C ATOM 985 C THR A 63 11.144 -4.999 6.354 1.00 0.00 C ATOM 986 O THR A 63 11.085 -5.197 5.141 1.00 0.00 O ATOM 987 CB THR A 63 9.307 -4.003 7.745 1.00 0.00 C ATOM 988 OG1 THR A 63 8.756 -2.785 8.257 1.00 0.00 O ATOM 989 CG2 THR A 63 9.566 -4.960 8.900 1.00 0.00 C ATOM 0 H THR A 63 9.597 -2.916 5.298 1.00 0.00 H new ATOM 0 HA THR A 63 11.343 -3.296 7.651 1.00 0.00 H new ATOM 0 HB THR A 63 8.602 -4.472 7.058 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.645 -2.143 7.525 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.633 -5.150 9.431 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.961 -5.899 8.513 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.290 -4.517 9.584 1.00 0.00 H new ATOM 997 N LYS A 64 11.664 -5.880 7.207 1.00 0.00 N ATOM 998 CA LYS A 64 12.121 -7.198 6.777 1.00 0.00 C ATOM 999 C LYS A 64 13.330 -7.087 5.855 1.00 0.00 C ATOM 1000 O LYS A 64 13.720 -8.054 5.203 1.00 0.00 O ATOM 1001 CB LYS A 64 10.992 -7.955 6.071 1.00 0.00 C ATOM 1002 CG LYS A 64 9.681 -7.957 6.844 1.00 0.00 C ATOM 1003 CD LYS A 64 9.775 -8.798 8.108 1.00 0.00 C ATOM 1004 CE LYS A 64 8.479 -8.758 8.900 1.00 0.00 C ATOM 1005 NZ LYS A 64 8.563 -9.570 10.145 1.00 0.00 N ATOM 0 H LYS A 64 11.779 -5.702 8.205 1.00 0.00 H new ATOM 0 HA LYS A 64 12.418 -7.753 7.667 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.825 -7.509 5.091 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.306 -8.985 5.903 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.412 -6.934 7.107 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.884 -8.343 6.208 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.010 -9.829 7.844 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.594 -8.434 8.729 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.242 -7.725 9.156 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.663 -9.128 8.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.659 -9.516 10.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.764 -10.561 9.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.325 -9.201 10.749 1.00 0.00 H new ATOM 1019 N ARG A 65 13.916 -5.895 5.814 1.00 0.00 N ATOM 1020 CA ARG A 65 15.093 -5.638 4.989 1.00 0.00 C ATOM 1021 C ARG A 65 14.833 -5.999 3.528 1.00 0.00 C ATOM 1022 O ARG A 65 15.247 -7.058 3.057 1.00 0.00 O ATOM 1023 CB ARG A 65 16.294 -6.424 5.519 1.00 0.00 C ATOM 1024 CG ARG A 65 17.591 -6.127 4.782 1.00 0.00 C ATOM 1025 CD ARG A 65 18.758 -6.903 5.370 1.00 0.00 C ATOM 1026 NE ARG A 65 18.546 -8.347 5.304 1.00 0.00 N ATOM 1027 CZ ARG A 65 19.412 -9.242 5.766 1.00 0.00 C ATOM 1028 NH1 ARG A 65 20.546 -8.843 6.330 1.00 0.00 N ATOM 1029 NH2 ARG A 65 19.147 -10.537 5.666 1.00 0.00 N ATOM 0 H ARG A 65 13.593 -5.087 6.346 1.00 0.00 H new ATOM 0 HA ARG A 65 15.313 -4.572 5.041 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.427 -6.198 6.577 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.080 -7.490 5.446 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.478 -6.382 3.728 1.00 0.00 H new ATOM 0 HG3 ARG A 65 17.802 -5.059 4.831 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.671 -6.646 4.833 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.904 -6.605 6.408 1.00 0.00 H new ATOM 0 HE ARG A 65 17.684 -8.687 4.879 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.754 -7.847 6.409 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.210 -9.532 6.684 1.00 0.00 H new ATOM 0 HH21 ARG A 65 18.277 -10.848 5.234 1.00 0.00 H new ATOM 0 HH22 ARG A 65 19.813 -11.223 6.021 1.00 0.00 H new ATOM 1043 N LEU A 66 14.165 -5.100 2.809 1.00 0.00 N ATOM 1044 CA LEU A 66 13.971 -5.263 1.370 1.00 0.00 C ATOM 1045 C LEU A 66 14.245 -3.956 0.630 1.00 0.00 C ATOM 1046 O LEU A 66 14.369 -3.943 -0.595 1.00 0.00 O ATOM 1047 CB LEU A 66 12.548 -5.741 1.063 1.00 0.00 C ATOM 1048 CG LEU A 66 12.332 -7.259 1.110 1.00 0.00 C ATOM 1049 CD1 LEU A 66 13.462 -7.991 0.402 1.00 0.00 C ATOM 1050 CD2 LEU A 66 12.195 -7.746 2.544 1.00 0.00 C ATOM 0 H LEU A 66 13.750 -4.253 3.198 1.00 0.00 H new ATOM 0 HA LEU A 66 14.679 -6.016 1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.866 -5.273 1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.270 -5.383 0.072 1.00 0.00 H new ATOM 0 HG LEU A 66 11.402 -7.479 0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.285 -9.066 0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.503 -7.676 -0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.409 -7.757 0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.043 -8.825 2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.102 -7.505 3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.342 -7.257 3.014 1.00 0.00 H new ATOM 1062 N TYR A 67 14.328 -2.860 1.377 1.00 0.00 N ATOM 1063 CA TYR A 67 14.515 -1.541 0.778 1.00 0.00 C ATOM 1064 C TYR A 67 15.985 -1.296 0.443 1.00 0.00 C ATOM 1065 O TYR A 67 16.872 -1.998 0.929 1.00 0.00 O ATOM 1066 CB TYR A 67 13.993 -0.450 1.716 1.00 0.00 C ATOM 1067 CG TYR A 67 14.729 -0.361 3.033 1.00 0.00 C ATOM 1068 CD1 TYR A 67 14.503 -1.287 4.046 1.00 0.00 C ATOM 1069 CD2 TYR A 67 15.648 0.651 3.267 1.00 0.00 C ATOM 1070 CE1 TYR A 67 15.172 -1.203 5.251 1.00 0.00 C ATOM 1071 CE2 TYR A 67 16.321 0.743 4.469 1.00 0.00 C ATOM 1072 CZ TYR A 67 16.082 -0.188 5.458 1.00 0.00 C ATOM 1073 OH TYR A 67 16.750 -0.100 6.657 1.00 0.00 O ATOM 0 H TYR A 67 14.269 -2.857 2.395 1.00 0.00 H new ATOM 0 HA TYR A 67 13.945 -1.507 -0.150 1.00 0.00 H new ATOM 0 HB2 TYR A 67 14.061 0.512 1.209 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.937 -0.632 1.914 1.00 0.00 H new ATOM 0 HD1 TYR A 67 13.793 -2.085 3.887 1.00 0.00 H new ATOM 0 HD2 TYR A 67 15.841 1.381 2.495 1.00 0.00 H new ATOM 0 HE1 TYR A 67 14.983 -1.929 6.028 1.00 0.00 H new ATOM 0 HE2 TYR A 67 17.031 1.540 4.634 1.00 0.00 H new ATOM 0 HH TYR A 67 17.355 0.671 6.639 1.00 0.00 H new ATOM 1083 N ASP A 68 16.226 -0.320 -0.430 1.00 0.00 N ATOM 1084 CA ASP A 68 17.538 -0.136 -1.045 1.00 0.00 C ATOM 1085 C ASP A 68 18.553 0.388 -0.033 1.00 0.00 C ATOM 1086 O ASP A 68 19.754 0.426 -0.308 1.00 0.00 O ATOM 1087 CB ASP A 68 17.425 0.830 -2.231 1.00 0.00 C ATOM 1088 CG ASP A 68 18.771 1.175 -2.840 1.00 0.00 C ATOM 1089 OD1 ASP A 68 19.648 0.288 -2.888 1.00 0.00 O ATOM 1090 OD2 ASP A 68 18.946 2.335 -3.270 1.00 0.00 O ATOM 0 H ASP A 68 15.525 0.359 -0.728 1.00 0.00 H new ATOM 0 HA ASP A 68 17.889 -1.105 -1.401 1.00 0.00 H new ATOM 0 HB2 ASP A 68 16.789 0.385 -2.996 1.00 0.00 H new ATOM 0 HB3 ASP A 68 16.935 1.746 -1.902 1.00 0.00 H new ATOM 1095 N GLU A 69 18.062 0.780 1.141 1.00 0.00 N ATOM 1096 CA GLU A 69 18.923 1.227 2.238 1.00 0.00 C ATOM 1097 C GLU A 69 19.509 2.612 1.961 1.00 0.00 C ATOM 1098 O GLU A 69 19.931 3.310 2.884 1.00 0.00 O ATOM 1099 CB GLU A 69 20.049 0.220 2.486 1.00 0.00 C ATOM 1100 CG GLU A 69 20.945 0.580 3.660 1.00 0.00 C ATOM 1101 CD GLU A 69 22.086 -0.401 3.848 1.00 0.00 C ATOM 1102 OE1 GLU A 69 21.900 -1.394 4.583 1.00 0.00 O ATOM 1103 OE2 GLU A 69 23.163 -0.177 3.259 1.00 0.00 O ATOM 0 H GLU A 69 17.066 0.798 1.359 1.00 0.00 H new ATOM 0 HA GLU A 69 18.305 1.294 3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 69 19.613 -0.763 2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 69 20.659 0.142 1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 69 21.352 1.580 3.508 1.00 0.00 H new ATOM 0 HG3 GLU A 69 20.347 0.615 4.571 1.00 0.00 H new ATOM 1110 N LYS A 70 19.530 3.008 0.693 1.00 0.00 N ATOM 1111 CA LYS A 70 20.056 4.313 0.310 1.00 0.00 C ATOM 1112 C LYS A 70 19.094 5.425 0.715 1.00 0.00 C ATOM 1113 O LYS A 70 19.449 6.316 1.487 1.00 0.00 O ATOM 1114 CB LYS A 70 20.310 4.365 -1.198 1.00 0.00 C ATOM 1115 CG LYS A 70 21.362 3.376 -1.676 1.00 0.00 C ATOM 1116 CD LYS A 70 22.732 3.689 -1.092 1.00 0.00 C ATOM 1117 CE LYS A 70 23.787 2.720 -1.600 1.00 0.00 C ATOM 1118 NZ LYS A 70 25.133 3.019 -1.034 1.00 0.00 N ATOM 0 H LYS A 70 19.189 2.445 -0.086 1.00 0.00 H new ATOM 0 HA LYS A 70 21.000 4.464 0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.375 4.168 -1.722 1.00 0.00 H new ATOM 0 HB3 LYS A 70 20.622 5.373 -1.470 1.00 0.00 H new ATOM 0 HG2 LYS A 70 21.067 2.365 -1.393 1.00 0.00 H new ATOM 0 HG3 LYS A 70 21.416 3.399 -2.764 1.00 0.00 H new ATOM 0 HD2 LYS A 70 23.016 4.708 -1.353 1.00 0.00 H new ATOM 0 HD3 LYS A 70 22.685 3.640 -0.004 1.00 0.00 H new ATOM 0 HE2 LYS A 70 23.501 1.701 -1.338 1.00 0.00 H new ATOM 0 HE3 LYS A 70 23.831 2.769 -2.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 25.825 2.336 -1.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 25.417 3.982 -1.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 25.097 2.948 0.003 1.00 0.00 H new ATOM 1132 N GLN A 71 17.874 5.363 0.193 1.00 0.00 N ATOM 1133 CA GLN A 71 16.850 6.349 0.523 1.00 0.00 C ATOM 1134 C GLN A 71 15.529 5.667 0.865 1.00 0.00 C ATOM 1135 O GLN A 71 14.471 6.296 0.840 1.00 0.00 O ATOM 1136 CB GLN A 71 16.651 7.321 -0.641 1.00 0.00 C ATOM 1137 CG GLN A 71 17.917 8.067 -1.040 1.00 0.00 C ATOM 1138 CD GLN A 71 18.200 9.274 -0.162 1.00 0.00 C ATOM 1139 OE1 GLN A 71 18.791 10.254 -0.614 1.00 0.00 O ATOM 1140 NE2 GLN A 71 17.782 9.213 1.098 1.00 0.00 N ATOM 0 H GLN A 71 17.570 4.641 -0.460 1.00 0.00 H new ATOM 0 HA GLN A 71 17.187 6.907 1.397 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.278 6.769 -1.504 1.00 0.00 H new ATOM 0 HB3 GLN A 71 15.883 8.046 -0.370 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.765 7.383 -0.992 1.00 0.00 H new ATOM 0 HG3 GLN A 71 17.828 8.392 -2.077 1.00 0.00 H new ATOM 0 HE21 GLN A 71 17.295 8.382 1.434 1.00 0.00 H new ATOM 0 HE22 GLN A 71 17.948 9.997 1.729 1.00 0.00 H new ATOM 1149 N GLN A 72 15.601 4.379 1.185 1.00 0.00 N ATOM 1150 CA GLN A 72 14.415 3.605 1.542 1.00 0.00 C ATOM 1151 C GLN A 72 13.363 3.678 0.438 1.00 0.00 C ATOM 1152 O GLN A 72 12.176 3.462 0.684 1.00 0.00 O ATOM 1153 CB GLN A 72 13.822 4.116 2.859 1.00 0.00 C ATOM 1154 CG GLN A 72 14.727 3.915 4.065 1.00 0.00 C ATOM 1155 CD GLN A 72 15.992 4.747 3.996 1.00 0.00 C ATOM 1156 OE1 GLN A 72 17.017 4.301 3.480 1.00 0.00 O ATOM 1157 NE2 GLN A 72 15.926 5.967 4.518 1.00 0.00 N ATOM 0 H GLN A 72 16.471 3.847 1.205 1.00 0.00 H new ATOM 0 HA GLN A 72 14.716 2.565 1.665 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.600 5.178 2.757 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.875 3.608 3.040 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.179 4.171 4.972 1.00 0.00 H new ATOM 0 HG3 GLN A 72 14.995 2.861 4.141 1.00 0.00 H new ATOM 0 HE21 GLN A 72 15.056 6.297 4.936 1.00 0.00 H new ATOM 0 HE22 GLN A 72 16.745 6.574 4.501 1.00 0.00 H new ATOM 1166 N HIS A 73 13.804 4.000 -0.776 1.00 0.00 N ATOM 1167 CA HIS A 73 12.886 4.209 -1.890 1.00 0.00 C ATOM 1168 C HIS A 73 12.746 2.947 -2.734 1.00 0.00 C ATOM 1169 O HIS A 73 11.685 2.323 -2.757 1.00 0.00 O ATOM 1170 CB HIS A 73 13.369 5.370 -2.764 1.00 0.00 C ATOM 1171 CG HIS A 73 12.468 5.668 -3.922 1.00 0.00 C ATOM 1172 ND1 HIS A 73 12.876 5.576 -5.236 1.00 0.00 N ATOM 1173 CD2 HIS A 73 11.172 6.061 -3.960 1.00 0.00 C ATOM 1174 CE1 HIS A 73 11.873 5.901 -6.031 1.00 0.00 C ATOM 1175 NE2 HIS A 73 10.828 6.198 -5.283 1.00 0.00 N ATOM 0 H HIS A 73 14.789 4.121 -1.012 1.00 0.00 H new ATOM 0 HA HIS A 73 11.908 4.453 -1.476 1.00 0.00 H new ATOM 0 HB2 HIS A 73 13.460 6.264 -2.147 1.00 0.00 H new ATOM 0 HB3 HIS A 73 14.366 5.139 -3.141 1.00 0.00 H new ATOM 0 HD2 HIS A 73 10.529 6.234 -3.109 1.00 0.00 H new ATOM 0 HE1 HIS A 73 11.903 5.920 -7.110 1.00 0.00 H new ATOM 0 HE2 HIS A 73 9.912 6.483 -5.631 1.00 0.00 H new ATOM 1184 N ILE A 74 13.818 2.572 -3.425 1.00 0.00 N ATOM 1185 CA ILE A 74 13.799 1.375 -4.255 1.00 0.00 C ATOM 1186 C ILE A 74 13.777 0.125 -3.386 1.00 0.00 C ATOM 1187 O ILE A 74 14.462 0.057 -2.367 1.00 0.00 O ATOM 1188 CB ILE A 74 15.017 1.311 -5.199 1.00 0.00 C ATOM 1189 CG1 ILE A 74 15.236 2.657 -5.893 1.00 0.00 C ATOM 1190 CG2 ILE A 74 14.826 0.207 -6.228 1.00 0.00 C ATOM 1191 CD1 ILE A 74 14.063 3.108 -6.738 1.00 0.00 C ATOM 0 H ILE A 74 14.705 3.076 -3.426 1.00 0.00 H new ATOM 0 HA ILE A 74 12.894 1.422 -4.861 1.00 0.00 H new ATOM 0 HB ILE A 74 15.903 1.087 -4.605 1.00 0.00 H new ATOM 0 HG12 ILE A 74 15.440 3.416 -5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 74 16.122 2.590 -6.525 1.00 0.00 H new ATOM 0 HG21 ILE A 74 15.692 0.172 -6.889 1.00 0.00 H new ATOM 0 HG22 ILE A 74 14.719 -0.751 -5.719 1.00 0.00 H new ATOM 0 HG23 ILE A 74 13.930 0.408 -6.815 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.294 4.069 -7.197 1.00 0.00 H new ATOM 0 HD12 ILE A 74 13.871 2.370 -7.517 1.00 0.00 H new ATOM 0 HD13 ILE A 74 13.179 3.209 -6.109 1.00 0.00 H new ATOM 1203 N VAL A 75 12.963 -0.850 -3.770 1.00 0.00 N ATOM 1204 CA VAL A 75 12.710 -2.004 -2.918 1.00 0.00 C ATOM 1205 C VAL A 75 13.028 -3.306 -3.638 1.00 0.00 C ATOM 1206 O VAL A 75 12.183 -3.853 -4.347 1.00 0.00 O ATOM 1207 CB VAL A 75 11.248 -2.045 -2.446 1.00 0.00 C ATOM 1208 CG1 VAL A 75 11.118 -2.887 -1.186 1.00 0.00 C ATOM 1209 CG2 VAL A 75 10.715 -0.640 -2.227 1.00 0.00 C ATOM 0 H VAL A 75 12.469 -0.865 -4.662 1.00 0.00 H new ATOM 0 HA VAL A 75 13.365 -1.900 -2.053 1.00 0.00 H new ATOM 0 HB VAL A 75 10.645 -2.511 -3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.076 -2.905 -0.866 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.452 -3.904 -1.392 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.733 -2.456 -0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.679 -0.692 -1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.316 -0.137 -1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.768 -0.081 -3.161 1.00 0.00 H new ATOM 1219 N TYR A 76 14.240 -3.805 -3.432 1.00 0.00 N ATOM 1220 CA TYR A 76 14.627 -5.112 -3.944 1.00 0.00 C ATOM 1221 C TYR A 76 14.022 -6.228 -3.100 1.00 0.00 C ATOM 1222 O TYR A 76 14.608 -6.649 -2.101 1.00 0.00 O ATOM 1223 CB TYR A 76 16.149 -5.233 -3.962 1.00 0.00 C ATOM 1224 CG TYR A 76 16.842 -3.957 -4.377 1.00 0.00 C ATOM 1225 CD1 TYR A 76 16.488 -3.304 -5.549 1.00 0.00 C ATOM 1226 CD2 TYR A 76 17.846 -3.403 -3.594 1.00 0.00 C ATOM 1227 CE1 TYR A 76 17.116 -2.134 -5.931 1.00 0.00 C ATOM 1228 CE2 TYR A 76 18.478 -2.235 -3.968 1.00 0.00 C ATOM 1229 CZ TYR A 76 18.110 -1.604 -5.137 1.00 0.00 C ATOM 1230 OH TYR A 76 18.739 -0.440 -5.514 1.00 0.00 O ATOM 0 H TYR A 76 14.973 -3.322 -2.912 1.00 0.00 H new ATOM 0 HA TYR A 76 14.247 -5.210 -4.961 1.00 0.00 H new ATOM 0 HB2 TYR A 76 16.496 -5.521 -2.970 1.00 0.00 H new ATOM 0 HB3 TYR A 76 16.435 -6.033 -4.645 1.00 0.00 H new ATOM 0 HD1 TYR A 76 15.709 -3.717 -6.173 1.00 0.00 H new ATOM 0 HD2 TYR A 76 18.137 -3.894 -2.677 1.00 0.00 H new ATOM 0 HE1 TYR A 76 16.830 -1.638 -6.846 1.00 0.00 H new ATOM 0 HE2 TYR A 76 19.257 -1.817 -3.348 1.00 0.00 H new ATOM 0 HH TYR A 76 19.457 -0.235 -4.879 1.00 0.00 H new ATOM 1240 N CYS A 77 12.843 -6.692 -3.496 1.00 0.00 N ATOM 1241 CA CYS A 77 12.128 -7.710 -2.734 1.00 0.00 C ATOM 1242 C CYS A 77 12.704 -9.098 -3.003 1.00 0.00 C ATOM 1243 O CYS A 77 13.145 -9.784 -2.079 1.00 0.00 O ATOM 1244 CB CYS A 77 10.636 -7.683 -3.071 1.00 0.00 C ATOM 1245 SG CYS A 77 10.273 -7.690 -4.841 1.00 0.00 S ATOM 0 H CYS A 77 12.362 -6.380 -4.340 1.00 0.00 H new ATOM 0 HA CYS A 77 12.252 -7.487 -1.674 1.00 0.00 H new ATOM 0 HB2 CYS A 77 10.156 -8.546 -2.610 1.00 0.00 H new ATOM 0 HB3 CYS A 77 10.191 -6.794 -2.624 1.00 0.00 H new ATOM 0 HG CYS A 77 9.066 -7.251 -5.038 1.00 0.00 H new ATOM 1251 N SER A 78 12.706 -9.501 -4.271 1.00 0.00 N ATOM 1252 CA SER A 78 13.271 -10.786 -4.670 1.00 0.00 C ATOM 1253 C SER A 78 12.689 -11.928 -3.841 1.00 0.00 C ATOM 1254 O SER A 78 13.234 -12.292 -2.798 1.00 0.00 O ATOM 1255 CB SER A 78 14.794 -10.758 -4.529 1.00 0.00 C ATOM 1256 OG SER A 78 15.371 -11.973 -4.978 1.00 0.00 O ATOM 0 H SER A 78 12.321 -8.954 -5.041 1.00 0.00 H new ATOM 0 HA SER A 78 13.010 -10.959 -5.714 1.00 0.00 H new ATOM 0 HB2 SER A 78 15.200 -9.925 -5.103 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.063 -10.588 -3.486 1.00 0.00 H new ATOM 0 HG SER A 78 16.345 -11.929 -4.879 1.00 0.00 H new ATOM 1262 N ASN A 79 11.583 -12.492 -4.319 1.00 0.00 N ATOM 1263 CA ASN A 79 10.941 -13.619 -3.647 1.00 0.00 C ATOM 1264 C ASN A 79 10.472 -13.232 -2.247 1.00 0.00 C ATOM 1265 O ASN A 79 10.167 -14.094 -1.424 1.00 0.00 O ATOM 1266 CB ASN A 79 11.898 -14.811 -3.567 1.00 0.00 C ATOM 1267 CG ASN A 79 12.364 -15.271 -4.934 1.00 0.00 C ATOM 1268 OD1 ASN A 79 13.382 -14.805 -5.445 1.00 0.00 O ATOM 1269 ND2 ASN A 79 11.618 -16.192 -5.534 1.00 0.00 N ATOM 0 H ASN A 79 11.112 -12.187 -5.171 1.00 0.00 H new ATOM 0 HA ASN A 79 10.068 -13.903 -4.234 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.764 -14.538 -2.964 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.402 -15.638 -3.058 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.882 -16.541 -6.456 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.782 -16.550 -5.073 1.00 0.00 H new ATOM 1276 N ASP A 80 10.397 -11.929 -1.991 1.00 0.00 N ATOM 1277 CA ASP A 80 9.848 -11.427 -0.737 1.00 0.00 C ATOM 1278 C ASP A 80 8.324 -11.516 -0.747 1.00 0.00 C ATOM 1279 O ASP A 80 7.715 -11.745 -1.793 1.00 0.00 O ATOM 1280 CB ASP A 80 10.285 -9.978 -0.508 1.00 0.00 C ATOM 1281 CG ASP A 80 9.855 -9.449 0.845 1.00 0.00 C ATOM 1282 OD1 ASP A 80 9.942 -10.206 1.835 1.00 0.00 O ATOM 1283 OD2 ASP A 80 9.429 -8.277 0.916 1.00 0.00 O ATOM 0 H ASP A 80 10.710 -11.203 -2.635 1.00 0.00 H new ATOM 0 HA ASP A 80 10.229 -12.044 0.076 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.370 -9.911 -0.592 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.865 -9.347 -1.291 1.00 0.00 H new ATOM 1288 N LEU A 81 7.710 -11.313 0.413 1.00 0.00 N ATOM 1289 CA LEU A 81 6.258 -11.228 0.496 1.00 0.00 C ATOM 1290 C LEU A 81 5.752 -9.990 -0.238 1.00 0.00 C ATOM 1291 O LEU A 81 4.786 -10.055 -1.003 1.00 0.00 O ATOM 1292 CB LEU A 81 5.803 -11.203 1.959 1.00 0.00 C ATOM 1293 CG LEU A 81 5.865 -12.554 2.682 1.00 0.00 C ATOM 1294 CD1 LEU A 81 7.294 -13.079 2.731 1.00 0.00 C ATOM 1295 CD2 LEU A 81 5.299 -12.432 4.087 1.00 0.00 C ATOM 0 H LEU A 81 8.193 -11.205 1.305 1.00 0.00 H new ATOM 0 HA LEU A 81 5.835 -12.112 0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.420 -10.488 2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.778 -10.834 1.998 1.00 0.00 H new ATOM 0 HG LEU A 81 5.259 -13.266 2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.312 -14.038 3.249 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.669 -13.208 1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.925 -12.368 3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.351 -13.400 4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.879 -11.702 4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.260 -12.107 4.034 1.00 0.00 H new ATOM 1307 N LEU A 82 6.450 -8.871 -0.047 1.00 0.00 N ATOM 1308 CA LEU A 82 6.248 -7.697 -0.886 1.00 0.00 C ATOM 1309 C LEU A 82 6.386 -8.072 -2.359 1.00 0.00 C ATOM 1310 O LEU A 82 5.898 -7.369 -3.242 1.00 0.00 O ATOM 1311 CB LEU A 82 7.263 -6.604 -0.539 1.00 0.00 C ATOM 1312 CG LEU A 82 6.669 -5.214 -0.288 1.00 0.00 C ATOM 1313 CD1 LEU A 82 5.636 -4.867 -1.351 1.00 0.00 C ATOM 1314 CD2 LEU A 82 6.048 -5.140 1.095 1.00 0.00 C ATOM 0 H LEU A 82 7.157 -8.756 0.679 1.00 0.00 H new ATOM 0 HA LEU A 82 5.243 -7.316 -0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.814 -6.912 0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.985 -6.531 -1.352 1.00 0.00 H new ATOM 0 HG LEU A 82 7.478 -4.486 -0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.228 -3.876 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.108 -4.875 -2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.831 -5.602 -1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.632 -4.145 1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.255 -5.883 1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.811 -5.339 1.848 1.00 0.00 H new ATOM 1326 N GLY A 83 7.059 -9.193 -2.611 1.00 0.00 N ATOM 1327 CA GLY A 83 7.227 -9.675 -3.968 1.00 0.00 C ATOM 1328 C GLY A 83 5.972 -10.329 -4.512 1.00 0.00 C ATOM 1329 O GLY A 83 5.624 -10.139 -5.678 1.00 0.00 O ATOM 0 H GLY A 83 7.492 -9.776 -1.895 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.508 -8.843 -4.613 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.048 -10.392 -3.996 1.00 0.00 H new ATOM 1333 N ASP A 84 5.277 -11.083 -3.662 1.00 0.00 N ATOM 1334 CA ASP A 84 3.985 -11.654 -4.036 1.00 0.00 C ATOM 1335 C ASP A 84 3.051 -10.564 -4.544 1.00 0.00 C ATOM 1336 O ASP A 84 2.183 -10.815 -5.379 1.00 0.00 O ATOM 1337 CB ASP A 84 3.343 -12.378 -2.847 1.00 0.00 C ATOM 1338 CG ASP A 84 4.207 -13.509 -2.324 1.00 0.00 C ATOM 1339 OD1 ASP A 84 5.045 -13.253 -1.435 1.00 0.00 O ATOM 1340 OD2 ASP A 84 4.046 -14.650 -2.804 1.00 0.00 O ATOM 0 H ASP A 84 5.584 -11.311 -2.717 1.00 0.00 H new ATOM 0 HA ASP A 84 4.154 -12.378 -4.833 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.161 -11.663 -2.045 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.373 -12.774 -3.147 1.00 0.00 H new ATOM 1345 N LEU A 85 3.255 -9.346 -4.049 1.00 0.00 N ATOM 1346 CA LEU A 85 2.508 -8.189 -4.527 1.00 0.00 C ATOM 1347 C LEU A 85 2.642 -8.047 -6.035 1.00 0.00 C ATOM 1348 O LEU A 85 1.715 -8.347 -6.788 1.00 0.00 O ATOM 1349 CB LEU A 85 3.024 -6.908 -3.866 1.00 0.00 C ATOM 1350 CG LEU A 85 2.740 -6.741 -2.369 1.00 0.00 C ATOM 1351 CD1 LEU A 85 1.749 -5.611 -2.154 1.00 0.00 C ATOM 1352 CD2 LEU A 85 2.227 -8.030 -1.740 1.00 0.00 C ATOM 0 H LEU A 85 3.933 -9.136 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 85 1.460 -8.341 -4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.103 -6.860 -4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.591 -6.056 -4.391 1.00 0.00 H new ATOM 0 HG LEU A 85 3.680 -6.494 -1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.552 -5.498 -1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.165 -4.683 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.818 -5.840 -2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.039 -7.867 -0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.302 -8.331 -2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.973 -8.815 -1.860 1.00 0.00 H new ATOM 1364 N PHE A 86 3.798 -7.552 -6.459 1.00 0.00 N ATOM 1365 CA PHE A 86 4.008 -7.179 -7.853 1.00 0.00 C ATOM 1366 C PHE A 86 4.518 -8.363 -8.664 1.00 0.00 C ATOM 1367 O PHE A 86 3.927 -8.743 -9.675 1.00 0.00 O ATOM 1368 CB PHE A 86 5.018 -6.032 -7.966 1.00 0.00 C ATOM 1369 CG PHE A 86 4.886 -4.980 -6.903 1.00 0.00 C ATOM 1370 CD1 PHE A 86 5.401 -5.194 -5.635 1.00 0.00 C ATOM 1371 CD2 PHE A 86 4.259 -3.776 -7.175 1.00 0.00 C ATOM 1372 CE1 PHE A 86 5.291 -4.228 -4.657 1.00 0.00 C ATOM 1373 CE2 PHE A 86 4.147 -2.803 -6.198 1.00 0.00 C ATOM 1374 CZ PHE A 86 4.663 -3.033 -4.938 1.00 0.00 C ATOM 0 H PHE A 86 4.607 -7.399 -5.856 1.00 0.00 H new ATOM 0 HA PHE A 86 3.045 -6.856 -8.249 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.025 -6.446 -7.926 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.906 -5.560 -8.942 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.894 -6.128 -5.410 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.853 -3.595 -8.159 1.00 0.00 H new ATOM 0 HE1 PHE A 86 5.696 -4.407 -3.672 1.00 0.00 H new ATOM 0 HE2 PHE A 86 3.657 -1.866 -6.420 1.00 0.00 H new ATOM 0 HZ PHE A 86 4.575 -2.277 -4.172 1.00 0.00 H new ATOM 1384 N GLY A 87 5.660 -8.898 -8.242 1.00 0.00 N ATOM 1385 CA GLY A 87 6.449 -9.753 -9.108 1.00 0.00 C ATOM 1386 C GLY A 87 7.727 -9.070 -9.557 1.00 0.00 C ATOM 1387 O GLY A 87 8.502 -9.629 -10.331 1.00 0.00 O ATOM 0 H GLY A 87 6.053 -8.753 -7.312 1.00 0.00 H new ATOM 0 HA2 GLY A 87 6.695 -10.676 -8.583 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.859 -10.031 -9.981 1.00 0.00 H new ATOM 1391 N VAL A 88 7.937 -7.850 -9.066 1.00 0.00 N ATOM 1392 CA VAL A 88 9.102 -7.056 -9.442 1.00 0.00 C ATOM 1393 C VAL A 88 10.366 -7.570 -8.761 1.00 0.00 C ATOM 1394 O VAL A 88 10.296 -8.241 -7.732 1.00 0.00 O ATOM 1395 CB VAL A 88 8.916 -5.573 -9.062 1.00 0.00 C ATOM 1396 CG1 VAL A 88 7.763 -4.955 -9.831 1.00 0.00 C ATOM 1397 CG2 VAL A 88 8.702 -5.428 -7.563 1.00 0.00 C ATOM 0 H VAL A 88 7.312 -7.390 -8.404 1.00 0.00 H new ATOM 0 HA VAL A 88 9.205 -7.147 -10.523 1.00 0.00 H new ATOM 0 HB VAL A 88 9.826 -5.037 -9.333 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.654 -3.909 -9.544 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.963 -5.019 -10.901 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.843 -5.492 -9.601 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.573 -4.375 -7.314 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.812 -5.983 -7.267 1.00 0.00 H new ATOM 0 HG23 VAL A 88 9.568 -5.823 -7.032 1.00 0.00 H new ATOM 1407 N PRO A 89 11.544 -7.195 -9.290 1.00 0.00 N ATOM 1408 CA PRO A 89 12.791 -7.230 -8.533 1.00 0.00 C ATOM 1409 C PRO A 89 12.922 -6.030 -7.600 1.00 0.00 C ATOM 1410 O PRO A 89 13.369 -6.161 -6.460 1.00 0.00 O ATOM 1411 CB PRO A 89 13.854 -7.180 -9.628 1.00 0.00 C ATOM 1412 CG PRO A 89 13.224 -6.386 -10.723 1.00 0.00 C ATOM 1413 CD PRO A 89 11.741 -6.657 -10.651 1.00 0.00 C ATOM 0 HA PRO A 89 12.866 -8.104 -7.886 1.00 0.00 H new ATOM 0 HB2 PRO A 89 14.769 -6.708 -9.271 1.00 0.00 H new ATOM 0 HB3 PRO A 89 14.122 -8.181 -9.967 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.430 -5.323 -10.599 1.00 0.00 H new ATOM 0 HG3 PRO A 89 13.625 -6.678 -11.694 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.161 -5.748 -10.809 1.00 0.00 H new ATOM 0 HD3 PRO A 89 11.428 -7.372 -11.412 1.00 0.00 H new ATOM 1421 N SER A 90 12.518 -4.862 -8.094 1.00 0.00 N ATOM 1422 CA SER A 90 12.568 -3.632 -7.311 1.00 0.00 C ATOM 1423 C SER A 90 11.374 -2.736 -7.635 1.00 0.00 C ATOM 1424 O SER A 90 10.928 -2.682 -8.781 1.00 0.00 O ATOM 1425 CB SER A 90 13.867 -2.878 -7.593 1.00 0.00 C ATOM 1426 OG SER A 90 14.005 -2.600 -8.976 1.00 0.00 O ATOM 0 H SER A 90 12.151 -4.743 -9.038 1.00 0.00 H new ATOM 0 HA SER A 90 12.529 -3.900 -6.255 1.00 0.00 H new ATOM 0 HB2 SER A 90 13.880 -1.946 -7.028 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.716 -3.470 -7.251 1.00 0.00 H new ATOM 0 HG SER A 90 14.843 -2.116 -9.130 1.00 0.00 H new ATOM 1432 N PHE A 91 10.871 -2.016 -6.632 1.00 0.00 N ATOM 1433 CA PHE A 91 9.825 -1.025 -6.872 1.00 0.00 C ATOM 1434 C PHE A 91 10.055 0.239 -6.047 1.00 0.00 C ATOM 1435 O PHE A 91 10.830 0.237 -5.095 1.00 0.00 O ATOM 1436 CB PHE A 91 8.443 -1.615 -6.569 1.00 0.00 C ATOM 1437 CG PHE A 91 8.201 -1.931 -5.118 1.00 0.00 C ATOM 1438 CD1 PHE A 91 8.590 -3.150 -4.584 1.00 0.00 C ATOM 1439 CD2 PHE A 91 7.572 -1.014 -4.292 1.00 0.00 C ATOM 1440 CE1 PHE A 91 8.355 -3.444 -3.254 1.00 0.00 C ATOM 1441 CE2 PHE A 91 7.336 -1.301 -2.963 1.00 0.00 C ATOM 1442 CZ PHE A 91 7.727 -2.519 -2.443 1.00 0.00 C ATOM 0 H PHE A 91 11.166 -2.099 -5.659 1.00 0.00 H new ATOM 0 HA PHE A 91 9.866 -0.750 -7.926 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.681 -0.913 -6.906 1.00 0.00 H new ATOM 0 HB3 PHE A 91 8.316 -2.527 -7.152 1.00 0.00 H new ATOM 0 HD1 PHE A 91 9.082 -3.877 -5.213 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.262 -0.061 -4.694 1.00 0.00 H new ATOM 0 HE1 PHE A 91 8.662 -4.397 -2.849 1.00 0.00 H new ATOM 0 HE2 PHE A 91 6.847 -0.575 -2.331 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.542 -2.748 -1.404 1.00 0.00 H new ATOM 1452 N SER A 92 9.381 1.322 -6.432 1.00 0.00 N ATOM 1453 CA SER A 92 9.531 2.601 -5.749 1.00 0.00 C ATOM 1454 C SER A 92 8.758 2.608 -4.434 1.00 0.00 C ATOM 1455 O SER A 92 8.588 1.568 -3.802 1.00 0.00 O ATOM 1456 CB SER A 92 9.039 3.734 -6.655 1.00 0.00 C ATOM 1457 OG SER A 92 7.689 3.532 -7.033 1.00 0.00 O ATOM 0 H SER A 92 8.726 1.337 -7.214 1.00 0.00 H new ATOM 0 HA SER A 92 10.587 2.752 -5.525 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.136 4.688 -6.136 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.665 3.790 -7.545 1.00 0.00 H new ATOM 0 HG SER A 92 7.629 3.469 -8.009 1.00 0.00 H new ATOM 1463 N VAL A 93 8.291 3.784 -4.029 1.00 0.00 N ATOM 1464 CA VAL A 93 7.473 3.915 -2.829 1.00 0.00 C ATOM 1465 C VAL A 93 7.049 5.364 -2.619 1.00 0.00 C ATOM 1466 O VAL A 93 5.911 5.637 -2.247 1.00 0.00 O ATOM 1467 CB VAL A 93 8.218 3.415 -1.577 1.00 0.00 C ATOM 1468 CG1 VAL A 93 9.533 4.152 -1.412 1.00 0.00 C ATOM 1469 CG2 VAL A 93 7.351 3.567 -0.337 1.00 0.00 C ATOM 0 H VAL A 93 8.466 4.663 -4.516 1.00 0.00 H new ATOM 0 HA VAL A 93 6.588 3.296 -2.976 1.00 0.00 H new ATOM 0 HB VAL A 93 8.435 2.355 -1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.046 3.786 -0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.159 3.981 -2.288 1.00 0.00 H new ATOM 0 HG13 VAL A 93 9.341 5.220 -1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 93 7.897 3.208 0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 93 7.096 4.618 -0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 93 6.437 2.985 -0.458 1.00 0.00 H new ATOM 1479 N LYS A 94 7.963 6.290 -2.900 1.00 0.00 N ATOM 1480 CA LYS A 94 7.617 7.703 -2.975 1.00 0.00 C ATOM 1481 C LYS A 94 6.757 7.969 -4.204 1.00 0.00 C ATOM 1482 O LYS A 94 6.056 8.979 -4.282 1.00 0.00 O ATOM 1483 CB LYS A 94 8.879 8.565 -3.021 1.00 0.00 C ATOM 1484 CG LYS A 94 9.757 8.422 -1.787 1.00 0.00 C ATOM 1485 CD LYS A 94 10.992 9.305 -1.877 1.00 0.00 C ATOM 1486 CE LYS A 94 11.869 9.161 -0.644 1.00 0.00 C ATOM 1487 NZ LYS A 94 11.151 9.554 0.600 1.00 0.00 N ATOM 0 H LYS A 94 8.946 6.086 -3.079 1.00 0.00 H new ATOM 0 HA LYS A 94 7.050 7.966 -2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.460 8.298 -3.904 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.591 9.610 -3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.184 8.686 -0.898 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.060 7.381 -1.673 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.565 9.041 -2.766 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.689 10.346 -1.990 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.206 8.128 -0.557 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.760 9.778 -0.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.834 9.654 1.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.664 10.460 0.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.453 8.823 0.844 1.00 0.00 H new ATOM 1501 N GLU A 95 6.795 7.034 -5.147 1.00 0.00 N ATOM 1502 CA GLU A 95 5.882 7.049 -6.283 1.00 0.00 C ATOM 1503 C GLU A 95 4.574 6.353 -5.920 1.00 0.00 C ATOM 1504 O GLU A 95 4.169 5.393 -6.573 1.00 0.00 O ATOM 1505 CB GLU A 95 6.524 6.355 -7.486 1.00 0.00 C ATOM 1506 CG GLU A 95 7.869 6.944 -7.886 1.00 0.00 C ATOM 1507 CD GLU A 95 7.770 8.402 -8.291 1.00 0.00 C ATOM 1508 OE1 GLU A 95 7.902 9.274 -7.408 1.00 0.00 O ATOM 1509 OE2 GLU A 95 7.561 8.669 -9.493 1.00 0.00 O ATOM 0 H GLU A 95 7.451 6.253 -5.146 1.00 0.00 H new ATOM 0 HA GLU A 95 5.670 8.086 -6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.654 5.297 -7.257 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.844 6.416 -8.335 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.565 6.849 -7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.282 6.368 -8.714 1.00 0.00 H new ATOM 1516 N HIS A 96 3.940 6.821 -4.846 1.00 0.00 N ATOM 1517 CA HIS A 96 2.806 6.113 -4.259 1.00 0.00 C ATOM 1518 C HIS A 96 1.710 5.875 -5.289 1.00 0.00 C ATOM 1519 O HIS A 96 0.996 4.873 -5.228 1.00 0.00 O ATOM 1520 CB HIS A 96 2.236 6.896 -3.075 1.00 0.00 C ATOM 1521 CG HIS A 96 3.235 7.181 -1.998 1.00 0.00 C ATOM 1522 ND1 HIS A 96 3.252 6.516 -0.790 1.00 0.00 N ATOM 1523 CD2 HIS A 96 4.250 8.074 -1.948 1.00 0.00 C ATOM 1524 CE1 HIS A 96 4.235 6.988 -0.043 1.00 0.00 C ATOM 1525 NE2 HIS A 96 4.855 7.933 -0.723 1.00 0.00 N ATOM 0 H HIS A 96 4.192 7.685 -4.366 1.00 0.00 H new ATOM 0 HA HIS A 96 3.169 5.147 -3.909 1.00 0.00 H new ATOM 0 HB2 HIS A 96 1.829 7.840 -3.438 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.405 6.335 -2.647 1.00 0.00 H new ATOM 0 HD2 HIS A 96 4.532 8.768 -2.726 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.487 6.657 0.953 1.00 0.00 H new ATOM 0 HE2 HIS A 96 5.655 8.472 -0.392 1.00 0.00 H new ATOM 1534 N ARG A 97 1.577 6.802 -6.230 1.00 0.00 N ATOM 1535 CA ARG A 97 0.560 6.693 -7.266 1.00 0.00 C ATOM 1536 C ARG A 97 0.732 5.400 -8.056 1.00 0.00 C ATOM 1537 O ARG A 97 -0.166 4.561 -8.095 1.00 0.00 O ATOM 1538 CB ARG A 97 0.634 7.895 -8.211 1.00 0.00 C ATOM 1539 CG ARG A 97 -0.439 7.894 -9.290 1.00 0.00 C ATOM 1540 CD ARG A 97 -1.830 8.048 -8.699 1.00 0.00 C ATOM 1541 NE ARG A 97 -1.976 9.302 -7.964 1.00 0.00 N ATOM 1542 CZ ARG A 97 -3.106 9.686 -7.378 1.00 0.00 C ATOM 1543 NH1 ARG A 97 -4.185 8.917 -7.438 1.00 0.00 N ATOM 1544 NH2 ARG A 97 -3.158 10.842 -6.730 1.00 0.00 N ATOM 0 H ARG A 97 2.160 7.636 -6.296 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.418 6.679 -6.784 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.548 8.811 -7.626 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.615 7.912 -8.687 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.250 8.706 -9.992 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -0.385 6.964 -9.856 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -2.570 8.008 -9.498 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -2.035 7.211 -8.032 1.00 0.00 H new ATOM 0 HE ARG A 97 -1.165 9.918 -7.897 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.150 8.027 -7.935 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -5.050 9.216 -6.987 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -2.331 11.437 -6.681 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -4.025 11.136 -6.281 1.00 0.00 H new ATOM 1558 N LYS A 98 1.893 5.249 -8.686 1.00 0.00 N ATOM 1559 CA LYS A 98 2.162 4.087 -9.523 1.00 0.00 C ATOM 1560 C LYS A 98 2.356 2.833 -8.678 1.00 0.00 C ATOM 1561 O LYS A 98 2.032 1.726 -9.110 1.00 0.00 O ATOM 1562 CB LYS A 98 3.401 4.333 -10.386 1.00 0.00 C ATOM 1563 CG LYS A 98 3.725 3.182 -11.328 1.00 0.00 C ATOM 1564 CD LYS A 98 4.983 3.454 -12.140 1.00 0.00 C ATOM 1565 CE LYS A 98 4.726 4.435 -13.276 1.00 0.00 C ATOM 1566 NZ LYS A 98 4.421 5.804 -12.780 1.00 0.00 N ATOM 0 H LYS A 98 2.662 5.917 -8.632 1.00 0.00 H new ATOM 0 HA LYS A 98 1.299 3.931 -10.170 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.251 5.240 -10.972 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.257 4.511 -9.735 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.855 2.266 -10.752 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.885 3.017 -12.003 1.00 0.00 H new ATOM 0 HD2 LYS A 98 5.758 3.852 -11.485 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.361 2.517 -12.548 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.600 4.473 -13.926 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.894 4.076 -13.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.833 6.507 -13.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.390 5.936 -12.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.826 5.927 -11.830 1.00 0.00 H new ATOM 1580 N ILE A 99 2.905 3.008 -7.481 1.00 0.00 N ATOM 1581 CA ILE A 99 3.277 1.875 -6.641 1.00 0.00 C ATOM 1582 C ILE A 99 2.039 1.184 -6.077 1.00 0.00 C ATOM 1583 O ILE A 99 2.016 -0.038 -5.920 1.00 0.00 O ATOM 1584 CB ILE A 99 4.234 2.303 -5.495 1.00 0.00 C ATOM 1585 CG1 ILE A 99 5.135 1.134 -5.089 1.00 0.00 C ATOM 1586 CG2 ILE A 99 3.475 2.816 -4.284 1.00 0.00 C ATOM 1587 CD1 ILE A 99 4.454 0.127 -4.186 1.00 0.00 C ATOM 0 H ILE A 99 3.102 3.921 -7.071 1.00 0.00 H new ATOM 0 HA ILE A 99 3.811 1.164 -7.271 1.00 0.00 H new ATOM 0 HB ILE A 99 4.848 3.120 -5.873 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.483 0.626 -5.988 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.017 1.525 -4.582 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.182 3.104 -3.507 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.877 3.681 -4.569 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.820 2.031 -3.906 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.153 -0.672 -3.940 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.130 0.621 -3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.588 -0.293 -4.697 1.00 0.00 H new ATOM 1599 N TYR A 100 1.000 1.963 -5.804 1.00 0.00 N ATOM 1600 CA TYR A 100 -0.246 1.408 -5.291 1.00 0.00 C ATOM 1601 C TYR A 100 -1.204 1.054 -6.423 1.00 0.00 C ATOM 1602 O TYR A 100 -2.124 0.261 -6.239 1.00 0.00 O ATOM 1603 CB TYR A 100 -0.903 2.387 -4.320 1.00 0.00 C ATOM 1604 CG TYR A 100 -0.400 2.232 -2.904 1.00 0.00 C ATOM 1605 CD1 TYR A 100 0.815 1.609 -2.653 1.00 0.00 C ATOM 1606 CD2 TYR A 100 -1.138 2.693 -1.823 1.00 0.00 C ATOM 1607 CE1 TYR A 100 1.282 1.450 -1.368 1.00 0.00 C ATOM 1608 CE2 TYR A 100 -0.676 2.537 -0.530 1.00 0.00 C ATOM 1609 CZ TYR A 100 0.535 1.915 -0.308 1.00 0.00 C ATOM 1610 OH TYR A 100 0.998 1.755 0.976 1.00 0.00 O ATOM 0 H TYR A 100 0.995 2.975 -5.928 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.009 0.488 -4.757 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.717 3.407 -4.657 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -1.983 2.238 -4.336 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.404 1.243 -3.481 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -2.086 3.180 -1.995 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.230 0.963 -1.192 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.260 2.900 0.303 1.00 0.00 H new ATOM 0 HH TYR A 100 0.423 1.122 1.455 1.00 0.00 H new ATOM 1620 N THR A 101 -0.973 1.627 -7.598 1.00 0.00 N ATOM 1621 CA THR A 101 -1.762 1.280 -8.773 1.00 0.00 C ATOM 1622 C THR A 101 -1.409 -0.117 -9.273 1.00 0.00 C ATOM 1623 O THR A 101 -2.254 -0.817 -9.835 1.00 0.00 O ATOM 1624 CB THR A 101 -1.563 2.298 -9.913 1.00 0.00 C ATOM 1625 OG1 THR A 101 -2.042 3.586 -9.508 1.00 0.00 O ATOM 1626 CG2 THR A 101 -2.293 1.860 -11.174 1.00 0.00 C ATOM 0 H THR A 101 -0.251 2.329 -7.762 1.00 0.00 H new ATOM 0 HA THR A 101 -2.809 1.300 -8.470 1.00 0.00 H new ATOM 0 HB THR A 101 -0.497 2.354 -10.132 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.510 3.910 -8.752 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.135 2.597 -11.961 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.909 0.893 -11.500 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.360 1.775 -10.966 1.00 0.00 H new ATOM 1634 N MET A 102 -0.160 -0.525 -9.057 1.00 0.00 N ATOM 1635 CA MET A 102 0.279 -1.858 -9.455 1.00 0.00 C ATOM 1636 C MET A 102 0.108 -2.860 -8.314 1.00 0.00 C ATOM 1637 O MET A 102 -0.044 -4.057 -8.553 1.00 0.00 O ATOM 1638 CB MET A 102 1.735 -1.831 -9.926 1.00 0.00 C ATOM 1639 CG MET A 102 2.701 -1.232 -8.918 1.00 0.00 C ATOM 1640 SD MET A 102 4.402 -1.223 -9.519 1.00 0.00 S ATOM 1641 CE MET A 102 5.230 -0.348 -8.194 1.00 0.00 C ATOM 0 H MET A 102 0.560 0.044 -8.612 1.00 0.00 H new ATOM 0 HA MET A 102 -0.349 -2.180 -10.286 1.00 0.00 H new ATOM 0 HB2 MET A 102 2.051 -2.849 -10.155 1.00 0.00 H new ATOM 0 HB3 MET A 102 1.795 -1.262 -10.854 1.00 0.00 H new ATOM 0 HG2 MET A 102 2.395 -0.212 -8.687 1.00 0.00 H new ATOM 0 HG3 MET A 102 2.650 -1.799 -7.988 1.00 0.00 H new ATOM 0 HE1 MET A 102 6.116 -0.904 -7.889 1.00 0.00 H new ATOM 0 HE2 MET A 102 5.525 0.643 -8.540 1.00 0.00 H new ATOM 0 HE3 MET A 102 4.554 -0.249 -7.345 1.00 0.00 H new ATOM 1651 N ILE A 103 0.089 -2.362 -7.079 1.00 0.00 N ATOM 1652 CA ILE A 103 -0.325 -3.182 -5.943 1.00 0.00 C ATOM 1653 C ILE A 103 -1.792 -3.585 -6.066 1.00 0.00 C ATOM 1654 O ILE A 103 -2.143 -4.751 -5.888 1.00 0.00 O ATOM 1655 CB ILE A 103 -0.108 -2.453 -4.598 1.00 0.00 C ATOM 1656 CG1 ILE A 103 1.383 -2.408 -4.260 1.00 0.00 C ATOM 1657 CG2 ILE A 103 -0.891 -3.139 -3.485 1.00 0.00 C ATOM 1658 CD1 ILE A 103 1.691 -1.707 -2.955 1.00 0.00 C ATOM 0 H ILE A 103 0.352 -1.406 -6.841 1.00 0.00 H new ATOM 0 HA ILE A 103 0.299 -4.075 -5.957 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.475 -1.431 -4.691 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.767 -3.427 -4.214 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.914 -1.904 -5.067 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -0.726 -2.612 -2.546 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -1.954 -3.126 -3.726 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.554 -4.171 -3.386 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.767 -1.715 -2.783 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.339 -0.677 -3.004 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.189 -2.224 -2.137 1.00 0.00 H new ATOM 1670 N TYR A 104 -2.646 -2.610 -6.367 1.00 0.00 N ATOM 1671 CA TYR A 104 -4.078 -2.863 -6.489 1.00 0.00 C ATOM 1672 C TYR A 104 -4.436 -3.307 -7.903 1.00 0.00 C ATOM 1673 O TYR A 104 -4.940 -2.519 -8.704 1.00 0.00 O ATOM 1674 CB TYR A 104 -4.876 -1.614 -6.110 1.00 0.00 C ATOM 1675 CG TYR A 104 -4.890 -1.332 -4.626 1.00 0.00 C ATOM 1676 CD1 TYR A 104 -5.864 -1.886 -3.805 1.00 0.00 C ATOM 1677 CD2 TYR A 104 -3.932 -0.513 -4.043 1.00 0.00 C ATOM 1678 CE1 TYR A 104 -5.883 -1.632 -2.448 1.00 0.00 C ATOM 1679 CE2 TYR A 104 -3.943 -0.255 -2.685 1.00 0.00 C ATOM 1680 CZ TYR A 104 -4.921 -0.816 -1.893 1.00 0.00 C ATOM 1681 OH TYR A 104 -4.935 -0.561 -0.540 1.00 0.00 O ATOM 0 H TYR A 104 -2.372 -1.641 -6.530 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.337 -3.668 -5.802 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -4.457 -0.753 -6.631 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -5.902 -1.729 -6.459 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -6.619 -2.526 -4.236 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -3.165 -0.070 -4.661 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.648 -2.071 -1.825 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -3.189 0.383 -2.247 1.00 0.00 H new ATOM 0 HH TYR A 104 -4.189 0.031 -0.311 1.00 0.00 H new