USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 689 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 HIS : no HE2:sc= 0.0939 K(o=1.4,f=-0.087) USER MOD Set 1.2: A 100 TYR OH : rot -97:sc= 1.28 USER MOD Single : A 26 THR OG1 : rot 125:sc= -3.08! USER MOD Single : A 31 LYS NZ :NH3+ 168:sc= -0.0318 (180deg=-0.211) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 120:sc= 1.18 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= -0.441 (180deg=-0.441) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -134:sc= -6.38! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -164:sc= -0.0254 (180deg=-0.309) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.158 USER MOD Single : A 59 GLN : amide:sc= 0.174 X(o=0.17,f=-0.099) USER MOD Single : A 60 TYR OH : rot 165:sc= -0.0603 USER MOD Single : A 62 MET CE :methyl 179:sc= -1.06 (180deg=-1.1) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -166:sc= -0.0404 (180deg=-0.26) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= -0.0493 (180deg=-0.316) USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0.043) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -2.09! F(o=-2.6,f=-2.1!) USER MOD Single : A 76 TYR OH : rot 174:sc= 1.05 USER MOD Single : A 77 CYS SG : rot 18:sc= 0.768 USER MOD Single : A 78 SER OG : rot -20:sc= 0.317 USER MOD Single : A 79 ASN : amide:sc= -0.175 K(o=-0.17,f=-0.78) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 38:sc= -0.39 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -167:sc= -0.0397 (180deg=-0.243) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -112:sc= -4.78! (180deg=-10.1!) USER MOD Single : A 104 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 347 N THR A 26 -13.155 2.423 1.249 1.00 0.00 N ATOM 348 CA THR A 26 -13.571 1.039 1.096 1.00 0.00 C ATOM 349 C THR A 26 -13.819 0.384 2.444 1.00 0.00 C ATOM 350 O THR A 26 -13.723 1.029 3.489 1.00 0.00 O ATOM 351 CB THR A 26 -12.499 0.229 0.345 1.00 0.00 C ATOM 352 OG1 THR A 26 -13.037 -1.033 -0.067 1.00 0.00 O ATOM 353 CG2 THR A 26 -11.282 0.008 1.224 1.00 0.00 C ATOM 0 HA THR A 26 -14.499 1.045 0.524 1.00 0.00 H new ATOM 0 HB THR A 26 -12.194 0.794 -0.536 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.920 -1.138 -1.034 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.536 -0.566 0.675 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.860 0.971 1.510 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.575 -0.540 2.120 1.00 0.00 H new ATOM 361 N LEU A 27 -14.020 -0.925 2.415 1.00 0.00 N ATOM 362 CA LEU A 27 -13.546 -1.782 3.479 1.00 0.00 C ATOM 363 C LEU A 27 -13.032 -3.080 2.890 1.00 0.00 C ATOM 364 O LEU A 27 -13.764 -4.064 2.774 1.00 0.00 O ATOM 365 CB LEU A 27 -14.643 -2.052 4.508 1.00 0.00 C ATOM 366 CG LEU A 27 -14.155 -2.078 5.956 1.00 0.00 C ATOM 367 CD1 LEU A 27 -12.860 -2.867 6.058 1.00 0.00 C ATOM 368 CD2 LEU A 27 -13.952 -0.662 6.471 1.00 0.00 C ATOM 0 H LEU A 27 -14.509 -1.412 1.664 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.733 -1.275 3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.413 -1.287 4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.113 -3.008 4.278 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.912 -2.565 6.571 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.522 -2.879 7.094 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.029 -3.889 5.720 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.099 -2.400 5.433 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.604 -0.697 7.504 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.210 -0.154 5.855 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.896 -0.119 6.424 1.00 0.00 H new ATOM 380 N VAL A 28 -11.791 -3.035 2.431 1.00 0.00 N ATOM 381 CA VAL A 28 -11.330 -3.947 1.403 1.00 0.00 C ATOM 382 C VAL A 28 -11.010 -5.310 1.968 1.00 0.00 C ATOM 383 O VAL A 28 -10.636 -5.446 3.132 1.00 0.00 O ATOM 384 CB VAL A 28 -10.106 -3.377 0.665 1.00 0.00 C ATOM 385 CG1 VAL A 28 -9.118 -4.468 0.270 1.00 0.00 C ATOM 386 CG2 VAL A 28 -10.579 -2.619 -0.549 1.00 0.00 C ATOM 0 H VAL A 28 -11.086 -2.374 2.757 1.00 0.00 H new ATOM 0 HA VAL A 28 -12.145 -4.062 0.689 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.575 -2.705 1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.270 -4.021 -0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.767 -4.982 1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -9.610 -5.183 -0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.720 -2.210 -1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.126 -3.293 -1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.234 -1.805 -0.237 1.00 0.00 H new ATOM 396 N ARG A 29 -11.178 -6.322 1.134 1.00 0.00 N ATOM 397 CA ARG A 29 -10.994 -7.682 1.576 1.00 0.00 C ATOM 398 C ARG A 29 -9.972 -8.407 0.705 1.00 0.00 C ATOM 399 O ARG A 29 -10.334 -9.185 -0.177 1.00 0.00 O ATOM 400 CB ARG A 29 -12.333 -8.422 1.574 1.00 0.00 C ATOM 401 CG ARG A 29 -13.459 -7.636 2.232 1.00 0.00 C ATOM 402 CD ARG A 29 -14.774 -8.394 2.177 1.00 0.00 C ATOM 403 NE ARG A 29 -15.862 -7.649 2.805 1.00 0.00 N ATOM 404 CZ ARG A 29 -17.113 -8.094 2.882 1.00 0.00 C ATOM 405 NH1 ARG A 29 -17.433 -9.277 2.374 1.00 0.00 N ATOM 406 NH2 ARG A 29 -18.045 -7.356 3.468 1.00 0.00 N ATOM 0 H ARG A 29 -11.440 -6.223 0.153 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.608 -7.664 2.595 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.612 -8.650 0.545 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.214 -9.374 2.091 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -13.201 -7.429 3.270 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -13.572 -6.673 1.733 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -15.029 -8.602 1.138 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.659 -9.356 2.675 1.00 0.00 H new ATOM 0 HE ARG A 29 -15.650 -6.736 3.207 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.719 -9.848 1.923 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -18.393 -9.615 2.435 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -17.803 -6.446 3.860 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -19.004 -7.698 3.527 1.00 0.00 H new ATOM 420 N PRO A 30 -8.674 -8.144 0.941 1.00 0.00 N ATOM 421 CA PRO A 30 -7.588 -8.714 0.138 1.00 0.00 C ATOM 422 C PRO A 30 -7.468 -10.223 0.317 1.00 0.00 C ATOM 423 O PRO A 30 -7.318 -10.716 1.435 1.00 0.00 O ATOM 424 CB PRO A 30 -6.327 -8.014 0.671 1.00 0.00 C ATOM 425 CG PRO A 30 -6.822 -6.853 1.465 1.00 0.00 C ATOM 426 CD PRO A 30 -8.162 -7.265 2.001 1.00 0.00 C ATOM 0 HA PRO A 30 -7.755 -8.560 -0.928 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.735 -8.689 1.289 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.685 -7.685 -0.146 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.134 -6.612 2.275 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.907 -5.962 0.843 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.074 -7.787 2.954 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.814 -6.407 2.166 1.00 0.00 H new ATOM 434 N LYS A 31 -7.511 -10.951 -0.794 1.00 0.00 N ATOM 435 CA LYS A 31 -7.236 -12.382 -0.778 1.00 0.00 C ATOM 436 C LYS A 31 -5.790 -12.640 -0.362 1.00 0.00 C ATOM 437 O LYS A 31 -4.908 -11.831 -0.650 1.00 0.00 O ATOM 438 CB LYS A 31 -7.502 -12.990 -2.157 1.00 0.00 C ATOM 439 CG LYS A 31 -6.674 -12.368 -3.267 1.00 0.00 C ATOM 440 CD LYS A 31 -6.974 -13.010 -4.612 1.00 0.00 C ATOM 441 CE LYS A 31 -6.156 -12.377 -5.727 1.00 0.00 C ATOM 442 NZ LYS A 31 -4.693 -12.512 -5.489 1.00 0.00 N ATOM 0 H LYS A 31 -7.733 -10.574 -1.715 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.899 -12.853 -0.053 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.297 -14.060 -2.118 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.559 -12.876 -2.397 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.878 -11.299 -3.319 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.614 -12.479 -3.038 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.759 -14.077 -4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.036 -12.909 -4.836 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.414 -12.845 -6.677 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.414 -11.321 -5.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.175 -12.255 -6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.408 -11.880 -4.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.472 -13.495 -5.232 1.00 0.00 H new ATOM 456 N PRO A 32 -5.533 -13.763 0.336 1.00 0.00 N ATOM 457 CA PRO A 32 -4.205 -14.078 0.869 1.00 0.00 C ATOM 458 C PRO A 32 -3.093 -13.823 -0.145 1.00 0.00 C ATOM 459 O PRO A 32 -2.822 -14.657 -1.009 1.00 0.00 O ATOM 460 CB PRO A 32 -4.307 -15.568 1.189 1.00 0.00 C ATOM 461 CG PRO A 32 -5.744 -15.778 1.523 1.00 0.00 C ATOM 462 CD PRO A 32 -6.522 -14.809 0.669 1.00 0.00 C ATOM 0 HA PRO A 32 -3.949 -13.456 1.727 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.003 -16.179 0.339 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.661 -15.840 2.024 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.045 -16.805 1.318 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.928 -15.597 2.582 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.913 -15.290 -0.227 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.375 -14.396 1.207 1.00 0.00 H new ATOM 470 N LEU A 33 -2.471 -12.651 -0.047 1.00 0.00 N ATOM 471 CA LEU A 33 -1.490 -12.222 -1.036 1.00 0.00 C ATOM 472 C LEU A 33 -0.506 -11.229 -0.425 1.00 0.00 C ATOM 473 O LEU A 33 0.679 -11.233 -0.756 1.00 0.00 O ATOM 474 CB LEU A 33 -2.200 -11.591 -2.239 1.00 0.00 C ATOM 475 CG LEU A 33 -1.521 -11.813 -3.596 1.00 0.00 C ATOM 476 CD1 LEU A 33 -0.158 -11.140 -3.634 1.00 0.00 C ATOM 477 CD2 LEU A 33 -1.394 -13.300 -3.896 1.00 0.00 C ATOM 0 H LEU A 33 -2.630 -11.983 0.707 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.931 -13.096 -1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.214 -11.988 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.286 -10.518 -2.066 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.145 -11.360 -4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.305 -11.311 -4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.277 -10.069 -3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.476 -11.558 -2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.910 -13.436 -4.863 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.796 -13.778 -3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.385 -13.752 -3.920 1.00 0.00 H new ATOM 489 N LEU A 34 -1.002 -10.389 0.476 1.00 0.00 N ATOM 490 CA LEU A 34 -0.157 -9.429 1.162 1.00 0.00 C ATOM 491 C LEU A 34 -0.607 -9.280 2.606 1.00 0.00 C ATOM 492 O LEU A 34 -0.160 -8.384 3.321 1.00 0.00 O ATOM 493 CB LEU A 34 -0.209 -8.081 0.449 1.00 0.00 C ATOM 494 CG LEU A 34 -1.439 -7.229 0.764 1.00 0.00 C ATOM 495 CD1 LEU A 34 -1.041 -6.018 1.591 1.00 0.00 C ATOM 496 CD2 LEU A 34 -2.136 -6.803 -0.518 1.00 0.00 C ATOM 0 H LEU A 34 -1.985 -10.356 0.746 1.00 0.00 H new ATOM 0 HA LEU A 34 0.872 -9.790 1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.684 -7.514 0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.172 -8.254 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.139 -7.828 1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.926 -5.419 1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.588 -6.349 2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.324 -5.416 1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.009 -6.198 -0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.448 -6.218 -1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.451 -7.687 -1.072 1.00 0.00 H new ATOM 508 N LEU A 35 -1.502 -10.167 3.025 1.00 0.00 N ATOM 509 CA LEU A 35 -2.019 -10.140 4.382 1.00 0.00 C ATOM 510 C LEU A 35 -1.229 -11.096 5.267 1.00 0.00 C ATOM 511 O LEU A 35 -1.065 -10.861 6.461 1.00 0.00 O ATOM 512 CB LEU A 35 -3.502 -10.501 4.397 1.00 0.00 C ATOM 513 CG LEU A 35 -4.337 -9.785 3.337 1.00 0.00 C ATOM 514 CD1 LEU A 35 -4.321 -10.578 2.040 1.00 0.00 C ATOM 515 CD2 LEU A 35 -5.760 -9.577 3.829 1.00 0.00 C ATOM 0 H LEU A 35 -1.883 -10.913 2.442 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.908 -9.130 4.775 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.603 -11.577 4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.910 -10.269 5.381 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.901 -8.804 3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.919 -10.060 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.295 -10.673 1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.738 -11.570 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.340 -9.066 3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.216 -10.544 4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.747 -8.972 4.736 1.00 0.00 H new ATOM 527 N LYS A 36 -0.670 -12.130 4.650 1.00 0.00 N ATOM 528 CA LYS A 36 0.486 -12.813 5.211 1.00 0.00 C ATOM 529 C LYS A 36 1.683 -11.873 5.226 1.00 0.00 C ATOM 530 O LYS A 36 2.721 -12.171 5.816 1.00 0.00 O ATOM 531 CB LYS A 36 0.810 -14.060 4.393 1.00 0.00 C ATOM 532 CG LYS A 36 -0.199 -15.185 4.566 1.00 0.00 C ATOM 533 CD LYS A 36 0.161 -16.397 3.721 1.00 0.00 C ATOM 534 CE LYS A 36 1.467 -17.031 4.176 1.00 0.00 C ATOM 535 NZ LYS A 36 1.826 -18.218 3.352 1.00 0.00 N ATOM 0 H LYS A 36 -0.998 -12.512 3.763 1.00 0.00 H new ATOM 0 HA LYS A 36 0.257 -13.115 6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.861 -13.789 3.339 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.798 -14.423 4.677 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.246 -15.474 5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.192 -14.830 4.289 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.641 -17.133 3.780 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.245 -16.100 2.676 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.268 -16.294 4.118 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.382 -17.327 5.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.722 -18.620 3.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.074 -18.933 3.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.933 -17.931 2.358 1.00 0.00 H new ATOM 549 N LEU A 37 1.518 -10.734 4.562 1.00 0.00 N ATOM 550 CA LEU A 37 2.554 -9.722 4.480 1.00 0.00 C ATOM 551 C LEU A 37 2.213 -8.543 5.390 1.00 0.00 C ATOM 552 O LEU A 37 3.082 -7.752 5.757 1.00 0.00 O ATOM 553 CB LEU A 37 2.690 -9.267 3.023 1.00 0.00 C ATOM 554 CG LEU A 37 3.577 -8.050 2.781 1.00 0.00 C ATOM 555 CD1 LEU A 37 4.202 -8.116 1.399 1.00 0.00 C ATOM 556 CD2 LEU A 37 2.766 -6.779 2.931 1.00 0.00 C ATOM 0 H LEU A 37 0.660 -10.490 4.067 1.00 0.00 H new ATOM 0 HA LEU A 37 3.505 -10.137 4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.082 -10.099 2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.694 -9.048 2.637 1.00 0.00 H new ATOM 0 HG LEU A 37 4.377 -8.047 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.832 -7.240 1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.808 -9.018 1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.416 -8.137 0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.408 -5.915 2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.952 -6.779 2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.354 -6.727 3.939 1.00 0.00 H new ATOM 568 N LEU A 38 0.933 -8.431 5.739 1.00 0.00 N ATOM 569 CA LEU A 38 0.441 -7.292 6.509 1.00 0.00 C ATOM 570 C LEU A 38 0.134 -7.695 7.948 1.00 0.00 C ATOM 571 O LEU A 38 0.595 -7.054 8.894 1.00 0.00 O ATOM 572 CB LEU A 38 -0.814 -6.716 5.846 1.00 0.00 C ATOM 573 CG LEU A 38 -0.717 -5.245 5.432 1.00 0.00 C ATOM 574 CD1 LEU A 38 0.537 -4.999 4.611 1.00 0.00 C ATOM 575 CD2 LEU A 38 -1.951 -4.833 4.645 1.00 0.00 C ATOM 0 H LEU A 38 0.217 -9.117 5.500 1.00 0.00 H new ATOM 0 HA LEU A 38 1.220 -6.530 6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.044 -7.311 4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.653 -6.829 6.533 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.660 -4.639 6.336 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.586 -3.948 4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.416 -5.257 5.203 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.511 -5.616 3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.866 -3.785 4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.034 -5.449 3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.839 -4.970 5.262 1.00 0.00 H new ATOM 587 N LYS A 39 -0.627 -8.772 8.109 1.00 0.00 N ATOM 588 CA LYS A 39 -0.876 -9.343 9.430 1.00 0.00 C ATOM 589 C LYS A 39 0.434 -9.712 10.117 1.00 0.00 C ATOM 590 O LYS A 39 0.481 -9.881 11.336 1.00 0.00 O ATOM 591 CB LYS A 39 -1.770 -10.580 9.317 1.00 0.00 C ATOM 592 CG LYS A 39 -3.169 -10.275 8.803 1.00 0.00 C ATOM 593 CD LYS A 39 -4.005 -11.538 8.670 1.00 0.00 C ATOM 594 CE LYS A 39 -3.507 -12.425 7.541 1.00 0.00 C ATOM 595 NZ LYS A 39 -4.300 -13.682 7.431 1.00 0.00 N ATOM 0 H LYS A 39 -1.082 -9.268 7.343 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.385 -8.590 10.032 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.296 -11.301 8.651 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.847 -11.053 10.296 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.663 -9.581 9.483 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.101 -9.779 7.835 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.978 -12.093 9.608 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.046 -11.268 8.489 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.560 -11.878 6.599 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.458 -12.671 7.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.929 -14.259 6.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.229 -14.216 8.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.297 -13.449 7.246 1.00 0.00 H new ATOM 609 N SER A 40 1.496 -9.837 9.327 1.00 0.00 N ATOM 610 CA SER A 40 2.806 -10.192 9.861 1.00 0.00 C ATOM 611 C SER A 40 3.536 -8.963 10.400 1.00 0.00 C ATOM 612 O SER A 40 4.202 -9.032 11.433 1.00 0.00 O ATOM 613 CB SER A 40 3.654 -10.870 8.784 1.00 0.00 C ATOM 614 OG SER A 40 3.088 -12.109 8.395 1.00 0.00 O ATOM 0 H SER A 40 1.475 -9.698 8.317 1.00 0.00 H new ATOM 0 HA SER A 40 2.652 -10.887 10.686 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.736 -10.216 7.916 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.665 -11.030 9.160 1.00 0.00 H new ATOM 0 HG SER A 40 2.880 -12.088 7.437 1.00 0.00 H new ATOM 620 N VAL A 41 3.415 -7.843 9.692 1.00 0.00 N ATOM 621 CA VAL A 41 4.116 -6.624 10.074 1.00 0.00 C ATOM 622 C VAL A 41 3.393 -5.895 11.205 1.00 0.00 C ATOM 623 O VAL A 41 4.023 -5.229 12.028 1.00 0.00 O ATOM 624 CB VAL A 41 4.294 -5.672 8.869 1.00 0.00 C ATOM 625 CG1 VAL A 41 3.005 -5.554 8.073 1.00 0.00 C ATOM 626 CG2 VAL A 41 4.759 -4.300 9.328 1.00 0.00 C ATOM 0 H VAL A 41 2.840 -7.756 8.854 1.00 0.00 H new ATOM 0 HA VAL A 41 5.102 -6.925 10.428 1.00 0.00 H new ATOM 0 HB VAL A 41 5.060 -6.097 8.220 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.158 -4.879 7.231 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.715 -6.537 7.702 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.216 -5.162 8.714 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.877 -3.648 8.463 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.020 -3.873 10.006 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.714 -4.394 9.845 1.00 0.00 H new ATOM 636 N GLY A 42 2.070 -6.026 11.248 1.00 0.00 N ATOM 637 CA GLY A 42 1.299 -5.355 12.280 1.00 0.00 C ATOM 638 C GLY A 42 -0.103 -5.914 12.431 1.00 0.00 C ATOM 639 O GLY A 42 -0.548 -6.191 13.545 1.00 0.00 O ATOM 0 H GLY A 42 1.521 -6.581 10.591 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.823 -5.442 13.232 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.237 -4.292 12.046 1.00 0.00 H new ATOM 643 N ALA A 43 -0.812 -6.052 11.314 1.00 0.00 N ATOM 644 CA ALA A 43 -2.225 -6.421 11.346 1.00 0.00 C ATOM 645 C ALA A 43 -2.434 -7.779 12.007 1.00 0.00 C ATOM 646 O ALA A 43 -1.474 -8.464 12.363 1.00 0.00 O ATOM 647 CB ALA A 43 -2.805 -6.427 9.940 1.00 0.00 C ATOM 0 H ALA A 43 -0.433 -5.914 10.377 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.748 -5.674 11.943 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.858 -6.704 9.982 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.708 -5.433 9.502 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.265 -7.148 9.327 1.00 0.00 H new ATOM 653 N GLN A 44 -3.696 -8.162 12.164 1.00 0.00 N ATOM 654 CA GLN A 44 -4.041 -9.448 12.759 1.00 0.00 C ATOM 655 C GLN A 44 -5.514 -9.771 12.530 1.00 0.00 C ATOM 656 O GLN A 44 -6.051 -10.713 13.112 1.00 0.00 O ATOM 657 CB GLN A 44 -3.734 -9.441 14.258 1.00 0.00 C ATOM 658 CG GLN A 44 -4.483 -8.367 15.029 1.00 0.00 C ATOM 659 CD GLN A 44 -4.167 -8.383 16.511 1.00 0.00 C ATOM 660 OE1 GLN A 44 -3.238 -7.717 16.968 1.00 0.00 O ATOM 661 NE2 GLN A 44 -4.939 -9.149 17.273 1.00 0.00 N ATOM 0 H GLN A 44 -4.500 -7.598 11.887 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.438 -10.218 12.278 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.983 -10.416 14.676 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.663 -9.298 14.400 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.232 -7.389 14.619 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.555 -8.506 14.889 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.699 -9.685 16.853 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.772 -9.201 18.278 1.00 0.00 H new ATOM 670 N LYS A 45 -6.162 -8.977 11.683 1.00 0.00 N ATOM 671 CA LYS A 45 -7.581 -9.157 11.395 1.00 0.00 C ATOM 672 C LYS A 45 -7.776 -10.070 10.189 1.00 0.00 C ATOM 673 O LYS A 45 -6.848 -10.752 9.756 1.00 0.00 O ATOM 674 CB LYS A 45 -8.247 -7.806 11.130 1.00 0.00 C ATOM 675 CG LYS A 45 -7.923 -6.748 12.174 1.00 0.00 C ATOM 676 CD LYS A 45 -8.661 -5.447 11.897 1.00 0.00 C ATOM 677 CE LYS A 45 -8.282 -4.861 10.545 1.00 0.00 C ATOM 678 NZ LYS A 45 -9.067 -3.637 10.232 1.00 0.00 N ATOM 0 H LYS A 45 -5.726 -8.202 11.183 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.046 -9.620 12.265 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.936 -7.444 10.150 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.327 -7.945 11.090 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.193 -7.117 13.163 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.849 -6.563 12.185 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.736 -5.625 11.928 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.434 -4.726 12.682 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.219 -4.622 10.538 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.446 -5.607 9.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.779 -3.268 9.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.080 -3.870 10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.891 -2.916 10.960 1.00 0.00 H new ATOM 692 N ASP A 46 -8.986 -10.060 9.640 1.00 0.00 N ATOM 693 CA ASP A 46 -9.274 -10.790 8.410 1.00 0.00 C ATOM 694 C ASP A 46 -9.385 -9.832 7.228 1.00 0.00 C ATOM 695 O ASP A 46 -9.016 -10.172 6.104 1.00 0.00 O ATOM 696 CB ASP A 46 -10.568 -11.591 8.559 1.00 0.00 C ATOM 697 CG ASP A 46 -10.500 -12.597 9.691 1.00 0.00 C ATOM 698 OD1 ASP A 46 -10.856 -12.230 10.831 1.00 0.00 O ATOM 699 OD2 ASP A 46 -10.091 -13.748 9.438 1.00 0.00 O ATOM 0 H ASP A 46 -9.783 -9.555 10.027 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.451 -11.479 8.221 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.397 -10.906 8.735 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.778 -12.113 7.625 1.00 0.00 H new ATOM 704 N THR A 47 -9.902 -8.635 7.491 1.00 0.00 N ATOM 705 CA THR A 47 -10.094 -7.638 6.445 1.00 0.00 C ATOM 706 C THR A 47 -9.149 -6.461 6.603 1.00 0.00 C ATOM 707 O THR A 47 -8.338 -6.409 7.527 1.00 0.00 O ATOM 708 CB THR A 47 -11.536 -7.095 6.434 1.00 0.00 C ATOM 709 OG1 THR A 47 -11.969 -6.830 7.774 1.00 0.00 O ATOM 710 CG2 THR A 47 -12.491 -8.070 5.772 1.00 0.00 C ATOM 0 H THR A 47 -10.195 -8.333 8.420 1.00 0.00 H new ATOM 0 HA THR A 47 -9.885 -8.150 5.506 1.00 0.00 H new ATOM 0 HB THR A 47 -11.541 -6.170 5.857 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.886 -6.484 7.759 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.499 -7.655 5.782 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.179 -8.242 4.742 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.482 -9.014 6.316 1.00 0.00 H new ATOM 718 N TYR A 48 -9.276 -5.516 5.681 1.00 0.00 N ATOM 719 CA TYR A 48 -8.462 -4.311 5.684 1.00 0.00 C ATOM 720 C TYR A 48 -9.233 -3.155 5.075 1.00 0.00 C ATOM 721 O TYR A 48 -10.402 -3.295 4.722 1.00 0.00 O ATOM 722 CB TYR A 48 -7.189 -4.533 4.880 1.00 0.00 C ATOM 723 CG TYR A 48 -6.150 -5.352 5.594 1.00 0.00 C ATOM 724 CD1 TYR A 48 -5.192 -4.742 6.388 1.00 0.00 C ATOM 725 CD2 TYR A 48 -6.114 -6.731 5.458 1.00 0.00 C ATOM 726 CE1 TYR A 48 -4.220 -5.487 7.027 1.00 0.00 C ATOM 727 CE2 TYR A 48 -5.148 -7.481 6.099 1.00 0.00 C ATOM 728 CZ TYR A 48 -4.204 -6.857 6.876 1.00 0.00 C ATOM 729 OH TYR A 48 -3.237 -7.609 7.500 1.00 0.00 O ATOM 0 H TYR A 48 -9.945 -5.564 4.912 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.205 -4.075 6.717 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.445 -5.027 3.943 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.760 -3.564 4.623 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.206 -3.669 6.509 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.851 -7.225 4.843 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.477 -4.999 7.641 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.135 -8.555 5.989 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.868 -8.259 6.866 1.00 0.00 H new ATOM 739 N THR A 49 -8.559 -2.030 4.901 1.00 0.00 N ATOM 740 CA THR A 49 -9.123 -0.934 4.129 1.00 0.00 C ATOM 741 C THR A 49 -8.060 -0.267 3.268 1.00 0.00 C ATOM 742 O THR A 49 -6.886 -0.628 3.321 1.00 0.00 O ATOM 743 CB THR A 49 -9.776 0.127 5.035 1.00 0.00 C ATOM 744 OG1 THR A 49 -10.279 -0.486 6.228 1.00 0.00 O ATOM 745 CG2 THR A 49 -10.911 0.838 4.315 1.00 0.00 C ATOM 0 H THR A 49 -7.629 -1.852 5.280 1.00 0.00 H new ATOM 0 HA THR A 49 -9.891 -1.367 3.488 1.00 0.00 H new ATOM 0 HB THR A 49 -9.014 0.862 5.294 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.691 0.197 6.798 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.354 1.581 4.978 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.524 1.332 3.424 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.670 0.111 4.026 1.00 0.00 H new ATOM 753 N MET A 50 -8.484 0.700 2.465 1.00 0.00 N ATOM 754 CA MET A 50 -7.591 1.374 1.533 1.00 0.00 C ATOM 755 C MET A 50 -6.415 2.029 2.255 1.00 0.00 C ATOM 756 O MET A 50 -5.262 1.872 1.851 1.00 0.00 O ATOM 757 CB MET A 50 -8.369 2.419 0.739 1.00 0.00 C ATOM 758 CG MET A 50 -8.923 1.895 -0.576 1.00 0.00 C ATOM 759 SD MET A 50 -9.238 3.207 -1.770 1.00 0.00 S ATOM 760 CE MET A 50 -9.779 2.253 -3.187 1.00 0.00 C ATOM 0 H MET A 50 -9.447 1.036 2.441 1.00 0.00 H new ATOM 0 HA MET A 50 -7.185 0.626 0.852 1.00 0.00 H new ATOM 0 HB2 MET A 50 -9.193 2.788 1.350 1.00 0.00 H new ATOM 0 HB3 MET A 50 -7.717 3.269 0.536 1.00 0.00 H new ATOM 0 HG2 MET A 50 -8.219 1.182 -1.004 1.00 0.00 H new ATOM 0 HG3 MET A 50 -9.849 1.353 -0.385 1.00 0.00 H new ATOM 0 HE1 MET A 50 -10.012 2.927 -4.012 1.00 0.00 H new ATOM 0 HE2 MET A 50 -8.986 1.570 -3.490 1.00 0.00 H new ATOM 0 HE3 MET A 50 -10.669 1.682 -2.923 1.00 0.00 H new ATOM 770 N LYS A 51 -6.710 2.773 3.317 1.00 0.00 N ATOM 771 CA LYS A 51 -5.679 3.516 4.034 1.00 0.00 C ATOM 772 C LYS A 51 -4.935 2.601 4.992 1.00 0.00 C ATOM 773 O LYS A 51 -3.746 2.782 5.250 1.00 0.00 O ATOM 774 CB LYS A 51 -6.298 4.685 4.804 1.00 0.00 C ATOM 775 CG LYS A 51 -6.763 5.825 3.910 1.00 0.00 C ATOM 776 CD LYS A 51 -5.595 6.530 3.241 1.00 0.00 C ATOM 777 CE LYS A 51 -4.705 7.232 4.256 1.00 0.00 C ATOM 778 NZ LYS A 51 -5.451 8.266 5.026 1.00 0.00 N ATOM 0 H LYS A 51 -7.650 2.877 3.699 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.973 3.911 3.304 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.146 4.319 5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.567 5.068 5.516 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.438 5.437 3.147 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.330 6.543 4.502 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.005 5.805 2.680 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.972 7.258 2.523 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.289 6.496 4.944 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.865 7.698 3.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.776 8.898 5.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.046 8.820 4.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.052 7.803 5.737 1.00 0.00 H new ATOM 792 N GLU A 52 -5.644 1.599 5.497 1.00 0.00 N ATOM 793 CA GLU A 52 -5.037 0.581 6.336 1.00 0.00 C ATOM 794 C GLU A 52 -3.878 -0.087 5.608 1.00 0.00 C ATOM 795 O GLU A 52 -2.770 -0.176 6.134 1.00 0.00 O ATOM 796 CB GLU A 52 -6.083 -0.462 6.719 1.00 0.00 C ATOM 797 CG GLU A 52 -5.970 -0.936 8.159 1.00 0.00 C ATOM 798 CD GLU A 52 -7.096 -1.869 8.553 1.00 0.00 C ATOM 799 OE1 GLU A 52 -6.943 -3.096 8.376 1.00 0.00 O ATOM 800 OE2 GLU A 52 -8.133 -1.372 9.041 1.00 0.00 O ATOM 0 H GLU A 52 -6.643 1.472 5.338 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.652 1.054 7.240 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.077 -0.043 6.560 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.989 -1.321 6.054 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.016 -1.445 8.297 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.969 -0.072 8.823 1.00 0.00 H new ATOM 807 N VAL A 53 -4.143 -0.541 4.386 1.00 0.00 N ATOM 808 CA VAL A 53 -3.111 -1.150 3.557 1.00 0.00 C ATOM 809 C VAL A 53 -2.103 -0.107 3.089 1.00 0.00 C ATOM 810 O VAL A 53 -0.956 -0.433 2.787 1.00 0.00 O ATOM 811 CB VAL A 53 -3.718 -1.849 2.324 1.00 0.00 C ATOM 812 CG1 VAL A 53 -2.644 -2.594 1.550 1.00 0.00 C ATOM 813 CG2 VAL A 53 -4.832 -2.794 2.740 1.00 0.00 C ATOM 0 H VAL A 53 -5.064 -0.498 3.949 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.606 -1.894 4.173 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.143 -1.086 1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.092 -3.081 0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.881 -1.890 1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.188 -3.346 2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.248 -3.278 1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.433 -3.552 3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.615 -2.232 3.248 1.00 0.00 H new ATOM 823 N LEU A 54 -2.536 1.151 3.038 1.00 0.00 N ATOM 824 CA LEU A 54 -1.651 2.244 2.652 1.00 0.00 C ATOM 825 C LEU A 54 -0.389 2.244 3.508 1.00 0.00 C ATOM 826 O LEU A 54 0.699 1.933 3.024 1.00 0.00 O ATOM 827 CB LEU A 54 -2.375 3.589 2.772 1.00 0.00 C ATOM 828 CG LEU A 54 -1.578 4.808 2.297 1.00 0.00 C ATOM 829 CD1 LEU A 54 -2.517 5.881 1.764 1.00 0.00 C ATOM 830 CD2 LEU A 54 -0.726 5.367 3.427 1.00 0.00 C ATOM 0 H LEU A 54 -3.490 1.436 3.258 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.361 2.096 1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.301 3.536 2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.653 3.741 3.815 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.916 4.491 1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.935 6.740 1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.087 5.481 0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.201 6.191 2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.168 6.232 3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.370 5.668 4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.029 4.602 3.770 1.00 0.00 H new ATOM 842 N PHE A 55 -0.534 2.600 4.782 1.00 0.00 N ATOM 843 CA PHE A 55 0.619 2.713 5.667 1.00 0.00 C ATOM 844 C PHE A 55 1.211 1.342 5.979 1.00 0.00 C ATOM 845 O PHE A 55 2.417 1.213 6.175 1.00 0.00 O ATOM 846 CB PHE A 55 0.245 3.438 6.967 1.00 0.00 C ATOM 847 CG PHE A 55 -0.862 2.785 7.747 1.00 0.00 C ATOM 848 CD1 PHE A 55 -0.608 1.688 8.556 1.00 0.00 C ATOM 849 CD2 PHE A 55 -2.157 3.275 7.677 1.00 0.00 C ATOM 850 CE1 PHE A 55 -1.625 1.091 9.278 1.00 0.00 C ATOM 851 CE2 PHE A 55 -3.177 2.682 8.396 1.00 0.00 C ATOM 852 CZ PHE A 55 -2.909 1.589 9.198 1.00 0.00 C ATOM 0 H PHE A 55 -1.430 2.813 5.220 1.00 0.00 H new ATOM 0 HA PHE A 55 1.375 3.302 5.147 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.130 3.502 7.600 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.050 4.459 6.727 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.396 1.295 8.623 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.371 4.130 7.053 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.414 0.236 9.904 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.182 3.072 8.331 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.705 1.125 9.762 1.00 0.00 H new ATOM 862 N TYR A 56 0.356 0.322 6.030 1.00 0.00 N ATOM 863 CA TYR A 56 0.791 -1.019 6.408 1.00 0.00 C ATOM 864 C TYR A 56 1.733 -1.613 5.370 1.00 0.00 C ATOM 865 O TYR A 56 2.790 -2.140 5.711 1.00 0.00 O ATOM 866 CB TYR A 56 -0.408 -1.941 6.611 1.00 0.00 C ATOM 867 CG TYR A 56 -0.660 -2.284 8.060 1.00 0.00 C ATOM 868 CD1 TYR A 56 0.399 -2.539 8.925 1.00 0.00 C ATOM 869 CD2 TYR A 56 -1.952 -2.354 8.566 1.00 0.00 C ATOM 870 CE1 TYR A 56 0.178 -2.853 10.250 1.00 0.00 C ATOM 871 CE2 TYR A 56 -2.183 -2.667 9.891 1.00 0.00 C ATOM 872 CZ TYR A 56 -1.115 -2.917 10.729 1.00 0.00 C ATOM 873 OH TYR A 56 -1.340 -3.229 12.051 1.00 0.00 O ATOM 0 H TYR A 56 -0.638 0.399 5.815 1.00 0.00 H new ATOM 0 HA TYR A 56 1.333 -0.931 7.350 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.297 -1.465 6.198 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.249 -2.862 6.049 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.412 -2.490 8.553 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.790 -2.160 7.912 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.012 -3.048 10.909 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.193 -2.716 10.269 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.304 -3.232 12.227 1.00 0.00 H new ATOM 883 N LEU A 57 1.356 -1.512 4.103 1.00 0.00 N ATOM 884 CA LEU A 57 2.245 -1.908 3.024 1.00 0.00 C ATOM 885 C LEU A 57 3.532 -1.099 3.091 1.00 0.00 C ATOM 886 O LEU A 57 4.625 -1.642 2.954 1.00 0.00 O ATOM 887 CB LEU A 57 1.560 -1.712 1.666 1.00 0.00 C ATOM 888 CG LEU A 57 2.047 -2.630 0.538 1.00 0.00 C ATOM 889 CD1 LEU A 57 3.489 -2.317 0.167 1.00 0.00 C ATOM 890 CD2 LEU A 57 1.900 -4.092 0.934 1.00 0.00 C ATOM 0 H LEU A 57 0.447 -1.162 3.800 1.00 0.00 H new ATOM 0 HA LEU A 57 2.486 -2.965 3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.488 -1.862 1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.701 -0.677 1.354 1.00 0.00 H new ATOM 0 HG LEU A 57 1.425 -2.448 -0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.811 -2.981 -0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.562 -1.282 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.129 -2.463 1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.251 -4.726 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.492 -4.288 1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.852 -4.310 1.138 1.00 0.00 H new ATOM 902 N GLY A 58 3.391 0.199 3.348 1.00 0.00 N ATOM 903 CA GLY A 58 4.549 1.036 3.601 1.00 0.00 C ATOM 904 C GLY A 58 5.412 0.499 4.728 1.00 0.00 C ATOM 905 O GLY A 58 6.633 0.660 4.711 1.00 0.00 O ATOM 0 H GLY A 58 2.495 0.685 3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.147 1.110 2.692 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.218 2.045 3.848 1.00 0.00 H new ATOM 909 N GLN A 59 4.779 -0.149 5.702 1.00 0.00 N ATOM 910 CA GLN A 59 5.508 -0.758 6.809 1.00 0.00 C ATOM 911 C GLN A 59 6.372 -1.912 6.315 1.00 0.00 C ATOM 912 O GLN A 59 7.581 -1.930 6.539 1.00 0.00 O ATOM 913 CB GLN A 59 4.546 -1.264 7.888 1.00 0.00 C ATOM 914 CG GLN A 59 3.651 -0.186 8.479 1.00 0.00 C ATOM 915 CD GLN A 59 4.421 1.050 8.901 1.00 0.00 C ATOM 916 OE1 GLN A 59 4.882 1.150 10.039 1.00 0.00 O ATOM 917 NE2 GLN A 59 4.567 2.000 7.985 1.00 0.00 N ATOM 0 H GLN A 59 3.767 -0.265 5.747 1.00 0.00 H new ATOM 0 HA GLN A 59 6.150 0.009 7.242 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.919 -2.048 7.462 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.125 -1.720 8.691 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.895 0.095 7.745 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.122 -0.592 9.342 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.169 1.876 7.054 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.077 2.853 8.212 1.00 0.00 H new ATOM 926 N TYR A 60 5.742 -2.887 5.664 1.00 0.00 N ATOM 927 CA TYR A 60 6.433 -4.112 5.284 1.00 0.00 C ATOM 928 C TYR A 60 7.589 -3.827 4.323 1.00 0.00 C ATOM 929 O TYR A 60 8.582 -4.553 4.306 1.00 0.00 O ATOM 930 CB TYR A 60 5.458 -5.102 4.651 1.00 0.00 C ATOM 931 CG TYR A 60 6.088 -6.429 4.313 1.00 0.00 C ATOM 932 CD1 TYR A 60 6.716 -6.626 3.093 1.00 0.00 C ATOM 933 CD2 TYR A 60 6.060 -7.484 5.215 1.00 0.00 C ATOM 934 CE1 TYR A 60 7.298 -7.837 2.777 1.00 0.00 C ATOM 935 CE2 TYR A 60 6.638 -8.700 4.908 1.00 0.00 C ATOM 936 CZ TYR A 60 7.257 -8.871 3.687 1.00 0.00 C ATOM 937 OH TYR A 60 7.836 -10.081 3.377 1.00 0.00 O ATOM 0 H TYR A 60 4.760 -2.851 5.391 1.00 0.00 H new ATOM 0 HA TYR A 60 6.848 -4.551 6.191 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.625 -5.267 5.334 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.044 -4.663 3.743 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.750 -5.818 2.377 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.578 -7.352 6.172 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.783 -7.973 1.822 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.606 -9.512 5.619 1.00 0.00 H new ATOM 0 HH TYR A 60 7.935 -10.615 4.193 1.00 0.00 H new ATOM 947 N ILE A 61 7.465 -2.762 3.536 1.00 0.00 N ATOM 948 CA ILE A 61 8.578 -2.295 2.713 1.00 0.00 C ATOM 949 C ILE A 61 9.735 -1.828 3.590 1.00 0.00 C ATOM 950 O ILE A 61 10.797 -2.449 3.616 1.00 0.00 O ATOM 951 CB ILE A 61 8.160 -1.134 1.788 1.00 0.00 C ATOM 952 CG1 ILE A 61 6.838 -1.449 1.094 1.00 0.00 C ATOM 953 CG2 ILE A 61 9.242 -0.859 0.752 1.00 0.00 C ATOM 954 CD1 ILE A 61 6.186 -0.227 0.489 1.00 0.00 C ATOM 0 H ILE A 61 6.612 -2.209 3.450 1.00 0.00 H new ATOM 0 HA ILE A 61 8.891 -3.139 2.098 1.00 0.00 H new ATOM 0 HB ILE A 61 8.028 -0.242 2.401 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.011 -2.187 0.311 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.155 -1.901 1.813 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.929 -0.037 0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.170 -0.591 1.257 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.402 -1.752 0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.250 -0.514 0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.984 0.503 1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.854 0.212 -0.252 1.00 0.00 H new ATOM 966 N MET A 62 9.510 -0.738 4.317 1.00 0.00 N ATOM 967 CA MET A 62 10.498 -0.234 5.271 1.00 0.00 C ATOM 968 C MET A 62 10.897 -1.320 6.269 1.00 0.00 C ATOM 969 O MET A 62 11.931 -1.968 6.111 1.00 0.00 O ATOM 970 CB MET A 62 9.948 0.984 6.015 1.00 0.00 C ATOM 971 CG MET A 62 9.584 2.143 5.101 1.00 0.00 C ATOM 972 SD MET A 62 9.006 3.590 6.008 1.00 0.00 S ATOM 973 CE MET A 62 7.567 2.918 6.838 1.00 0.00 C ATOM 0 H MET A 62 8.654 -0.186 4.266 1.00 0.00 H new ATOM 0 HA MET A 62 11.385 0.063 4.712 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.064 0.686 6.579 1.00 0.00 H new ATOM 0 HB3 MET A 62 10.689 1.322 6.739 1.00 0.00 H new ATOM 0 HG2 MET A 62 10.454 2.417 4.504 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.809 1.822 4.405 1.00 0.00 H new ATOM 0 HE1 MET A 62 7.109 3.691 7.455 1.00 0.00 H new ATOM 0 HE2 MET A 62 6.847 2.572 6.096 1.00 0.00 H new ATOM 0 HE3 MET A 62 7.868 2.082 7.469 1.00 0.00 H new ATOM 983 N THR A 63 10.061 -1.527 7.285 1.00 0.00 N ATOM 984 CA THR A 63 10.256 -2.626 8.226 1.00 0.00 C ATOM 985 C THR A 63 10.354 -3.956 7.486 1.00 0.00 C ATOM 986 O THR A 63 9.787 -4.108 6.405 1.00 0.00 O ATOM 987 CB THR A 63 9.103 -2.700 9.250 1.00 0.00 C ATOM 988 OG1 THR A 63 8.955 -1.438 9.911 1.00 0.00 O ATOM 989 CG2 THR A 63 9.362 -3.787 10.283 1.00 0.00 C ATOM 0 H THR A 63 9.243 -0.948 7.477 1.00 0.00 H new ATOM 0 HA THR A 63 11.188 -2.435 8.759 1.00 0.00 H new ATOM 0 HB THR A 63 8.186 -2.942 8.712 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.221 -1.492 10.558 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.535 -3.819 10.993 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.448 -4.752 9.783 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.289 -3.570 10.815 1.00 0.00 H new ATOM 997 N LYS A 64 11.099 -4.903 8.053 1.00 0.00 N ATOM 998 CA LYS A 64 11.402 -6.152 7.363 1.00 0.00 C ATOM 999 C LYS A 64 12.235 -5.870 6.119 1.00 0.00 C ATOM 1000 O LYS A 64 11.718 -5.850 5.002 1.00 0.00 O ATOM 1001 CB LYS A 64 10.116 -6.894 6.985 1.00 0.00 C ATOM 1002 CG LYS A 64 9.237 -7.238 8.177 1.00 0.00 C ATOM 1003 CD LYS A 64 9.928 -8.210 9.120 1.00 0.00 C ATOM 1004 CE LYS A 64 9.047 -8.555 10.311 1.00 0.00 C ATOM 1005 NZ LYS A 64 8.699 -7.348 11.111 1.00 0.00 N ATOM 0 H LYS A 64 11.503 -4.828 8.987 1.00 0.00 H new ATOM 0 HA LYS A 64 11.974 -6.789 8.038 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.545 -6.281 6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.378 -7.813 6.460 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.982 -6.326 8.717 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.301 -7.673 7.826 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.185 -9.121 8.580 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.863 -7.774 9.472 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.133 -9.034 9.960 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.561 -9.276 10.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.307 -7.641 12.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.554 -6.776 11.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.993 -6.783 10.597 1.00 0.00 H new ATOM 1019 N ARG A 65 13.515 -5.592 6.342 1.00 0.00 N ATOM 1020 CA ARG A 65 14.369 -4.983 5.325 1.00 0.00 C ATOM 1021 C ARG A 65 14.202 -5.641 3.960 1.00 0.00 C ATOM 1022 O ARG A 65 14.744 -6.715 3.695 1.00 0.00 O ATOM 1023 CB ARG A 65 15.835 -5.038 5.762 1.00 0.00 C ATOM 1024 CG ARG A 65 16.298 -6.426 6.176 1.00 0.00 C ATOM 1025 CD ARG A 65 17.757 -6.422 6.605 1.00 0.00 C ATOM 1026 NE ARG A 65 17.991 -5.535 7.741 1.00 0.00 N ATOM 1027 CZ ARG A 65 19.191 -5.315 8.270 1.00 0.00 C ATOM 1028 NH1 ARG A 65 20.262 -5.913 7.765 1.00 0.00 N ATOM 1029 NH2 ARG A 65 19.321 -4.495 9.304 1.00 0.00 N ATOM 0 H ARG A 65 13.988 -5.780 7.226 1.00 0.00 H new ATOM 0 HA ARG A 65 14.059 -3.943 5.224 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.462 -4.684 4.944 1.00 0.00 H new ATOM 0 HB3 ARG A 65 15.982 -4.352 6.596 1.00 0.00 H new ATOM 0 HG2 ARG A 65 15.678 -6.788 6.996 1.00 0.00 H new ATOM 0 HG3 ARG A 65 16.164 -7.118 5.345 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.060 -7.435 6.868 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.380 -6.110 5.767 1.00 0.00 H new ATOM 0 HE ARG A 65 17.189 -5.057 8.152 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.166 -6.543 6.969 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.181 -5.742 8.173 1.00 0.00 H new ATOM 0 HH21 ARG A 65 18.500 -4.032 9.694 1.00 0.00 H new ATOM 0 HH22 ARG A 65 20.242 -4.327 9.709 1.00 0.00 H new ATOM 1043 N LEU A 66 13.478 -4.953 3.084 1.00 0.00 N ATOM 1044 CA LEU A 66 13.446 -5.292 1.667 1.00 0.00 C ATOM 1045 C LEU A 66 14.053 -4.165 0.838 1.00 0.00 C ATOM 1046 O LEU A 66 14.422 -4.359 -0.320 1.00 0.00 O ATOM 1047 CB LEU A 66 12.005 -5.542 1.221 1.00 0.00 C ATOM 1048 CG LEU A 66 11.573 -7.011 1.153 1.00 0.00 C ATOM 1049 CD1 LEU A 66 12.021 -7.777 2.389 1.00 0.00 C ATOM 1050 CD2 LEU A 66 10.068 -7.097 0.991 1.00 0.00 C ATOM 0 H LEU A 66 12.901 -4.150 3.334 1.00 0.00 H new ATOM 0 HA LEU A 66 14.032 -6.198 1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.337 -5.018 1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.867 -5.096 0.236 1.00 0.00 H new ATOM 0 HG LEU A 66 12.053 -7.470 0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.699 -8.815 2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.108 -7.739 2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.578 -7.326 3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.766 -8.143 0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.583 -6.618 1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.772 -6.592 0.072 1.00 0.00 H new ATOM 1062 N TYR A 67 14.128 -2.978 1.436 1.00 0.00 N ATOM 1063 CA TYR A 67 14.545 -1.781 0.716 1.00 0.00 C ATOM 1064 C TYR A 67 16.021 -1.854 0.339 1.00 0.00 C ATOM 1065 O TYR A 67 16.737 -2.756 0.772 1.00 0.00 O ATOM 1066 CB TYR A 67 14.278 -0.532 1.558 1.00 0.00 C ATOM 1067 CG TYR A 67 15.188 -0.398 2.757 1.00 0.00 C ATOM 1068 CD1 TYR A 67 14.927 -1.084 3.935 1.00 0.00 C ATOM 1069 CD2 TYR A 67 16.309 0.420 2.708 1.00 0.00 C ATOM 1070 CE1 TYR A 67 15.760 -0.958 5.032 1.00 0.00 C ATOM 1071 CE2 TYR A 67 17.145 0.551 3.798 1.00 0.00 C ATOM 1072 CZ TYR A 67 16.867 -0.140 4.958 1.00 0.00 C ATOM 1073 OH TYR A 67 17.698 -0.013 6.047 1.00 0.00 O ATOM 0 H TYR A 67 13.905 -2.821 2.419 1.00 0.00 H new ATOM 0 HA TYR A 67 13.961 -1.720 -0.202 1.00 0.00 H new ATOM 0 HB2 TYR A 67 14.391 0.350 0.928 1.00 0.00 H new ATOM 0 HB3 TYR A 67 13.243 -0.550 1.899 1.00 0.00 H new ATOM 0 HD1 TYR A 67 14.061 -1.726 3.996 1.00 0.00 H new ATOM 0 HD2 TYR A 67 16.530 0.963 1.801 1.00 0.00 H new ATOM 0 HE1 TYR A 67 15.544 -1.498 5.942 1.00 0.00 H new ATOM 0 HE2 TYR A 67 18.013 1.192 3.743 1.00 0.00 H new ATOM 0 HH TYR A 67 18.431 0.599 5.829 1.00 0.00 H new ATOM 1083 N ASP A 68 16.466 -0.895 -0.470 1.00 0.00 N ATOM 1084 CA ASP A 68 17.859 -0.842 -0.900 1.00 0.00 C ATOM 1085 C ASP A 68 18.807 -0.827 0.300 1.00 0.00 C ATOM 1086 O ASP A 68 19.199 -1.881 0.800 1.00 0.00 O ATOM 1087 CB ASP A 68 18.095 0.388 -1.786 1.00 0.00 C ATOM 1088 CG ASP A 68 19.565 0.617 -2.086 1.00 0.00 C ATOM 1089 OD1 ASP A 68 20.313 -0.377 -2.186 1.00 0.00 O ATOM 1090 OD2 ASP A 68 19.966 1.793 -2.220 1.00 0.00 O ATOM 0 H ASP A 68 15.882 -0.145 -0.840 1.00 0.00 H new ATOM 0 HA ASP A 68 18.069 -1.740 -1.481 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.551 0.266 -2.723 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.687 1.270 -1.293 1.00 0.00 H new ATOM 1095 N GLU A 69 19.168 0.372 0.758 1.00 0.00 N ATOM 1096 CA GLU A 69 20.074 0.522 1.895 1.00 0.00 C ATOM 1097 C GLU A 69 20.388 1.993 2.146 1.00 0.00 C ATOM 1098 O GLU A 69 20.604 2.406 3.286 1.00 0.00 O ATOM 1099 CB GLU A 69 21.376 -0.247 1.652 1.00 0.00 C ATOM 1100 CG GLU A 69 22.353 -0.179 2.816 1.00 0.00 C ATOM 1101 CD GLU A 69 23.639 -0.932 2.543 1.00 0.00 C ATOM 1102 OE1 GLU A 69 24.586 -0.318 2.011 1.00 0.00 O ATOM 1103 OE2 GLU A 69 23.699 -2.139 2.861 1.00 0.00 O ATOM 0 H GLU A 69 18.846 1.253 0.358 1.00 0.00 H new ATOM 0 HA GLU A 69 19.577 0.112 2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 69 21.138 -1.291 1.449 1.00 0.00 H new ATOM 0 HB3 GLU A 69 21.860 0.149 0.759 1.00 0.00 H new ATOM 0 HG2 GLU A 69 22.586 0.864 3.030 1.00 0.00 H new ATOM 0 HG3 GLU A 69 21.879 -0.589 3.708 1.00 0.00 H new ATOM 1110 N LYS A 70 20.411 2.776 1.075 1.00 0.00 N ATOM 1111 CA LYS A 70 20.704 4.201 1.173 1.00 0.00 C ATOM 1112 C LYS A 70 19.698 5.008 0.366 1.00 0.00 C ATOM 1113 O LYS A 70 19.140 5.991 0.853 1.00 0.00 O ATOM 1114 CB LYS A 70 22.128 4.498 0.698 1.00 0.00 C ATOM 1115 CG LYS A 70 22.392 4.103 -0.744 1.00 0.00 C ATOM 1116 CD LYS A 70 22.639 2.608 -0.887 1.00 0.00 C ATOM 1117 CE LYS A 70 23.914 2.181 -0.177 1.00 0.00 C ATOM 1118 NZ LYS A 70 25.114 2.875 -0.721 1.00 0.00 N ATOM 0 H LYS A 70 20.230 2.448 0.126 1.00 0.00 H new ATOM 0 HA LYS A 70 20.625 4.493 2.220 1.00 0.00 H new ATOM 0 HB2 LYS A 70 22.324 5.564 0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 70 22.832 3.973 1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 70 21.541 4.391 -1.361 1.00 0.00 H new ATOM 0 HG3 LYS A 70 23.257 4.651 -1.118 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.792 2.058 -0.477 1.00 0.00 H new ATOM 0 HD3 LYS A 70 22.706 2.349 -1.944 1.00 0.00 H new ATOM 0 HE2 LYS A 70 23.824 2.393 0.888 1.00 0.00 H new ATOM 0 HE3 LYS A 70 24.042 1.103 -0.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 25.974 2.385 -0.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 25.078 2.867 -1.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 25.129 3.858 -0.383 1.00 0.00 H new ATOM 1132 N GLN A 71 19.420 4.543 -0.845 1.00 0.00 N ATOM 1133 CA GLN A 71 18.226 4.956 -1.566 1.00 0.00 C ATOM 1134 C GLN A 71 17.074 4.014 -1.242 1.00 0.00 C ATOM 1135 O GLN A 71 16.717 3.156 -2.048 1.00 0.00 O ATOM 1136 CB GLN A 71 18.489 4.972 -3.074 1.00 0.00 C ATOM 1137 CG GLN A 71 19.604 5.919 -3.487 1.00 0.00 C ATOM 1138 CD GLN A 71 19.842 5.927 -4.985 1.00 0.00 C ATOM 1139 OE1 GLN A 71 19.601 4.790 -5.630 1.00 0.00 O flip ATOM 1140 NE2 GLN A 71 20.241 6.941 -5.556 1.00 0.00 N flip ATOM 0 H GLN A 71 20.007 3.878 -1.348 1.00 0.00 H new ATOM 0 HA GLN A 71 17.959 5.965 -1.253 1.00 0.00 H new ATOM 0 HB2 GLN A 71 18.741 3.963 -3.401 1.00 0.00 H new ATOM 0 HB3 GLN A 71 17.572 5.256 -3.591 1.00 0.00 H new ATOM 0 HG2 GLN A 71 19.358 6.928 -3.157 1.00 0.00 H new ATOM 0 HG3 GLN A 71 20.525 5.633 -2.979 1.00 0.00 H new ATOM 0 HE21 GLN A 71 20.413 7.793 -5.022 1.00 0.00 H new ATOM 0 HE22 GLN A 71 20.399 6.930 -6.564 1.00 0.00 H new ATOM 1149 N GLN A 72 16.525 4.157 -0.038 1.00 0.00 N ATOM 1150 CA GLN A 72 15.543 3.209 0.479 1.00 0.00 C ATOM 1151 C GLN A 72 14.346 3.091 -0.458 1.00 0.00 C ATOM 1152 O GLN A 72 13.609 2.105 -0.418 1.00 0.00 O ATOM 1153 CB GLN A 72 15.076 3.643 1.870 1.00 0.00 C ATOM 1154 CG GLN A 72 16.213 3.822 2.864 1.00 0.00 C ATOM 1155 CD GLN A 72 15.723 4.214 4.244 1.00 0.00 C ATOM 1156 OE1 GLN A 72 15.447 3.358 5.084 1.00 0.00 O ATOM 1157 NE2 GLN A 72 15.612 5.515 4.486 1.00 0.00 N ATOM 0 H GLN A 72 16.745 4.923 0.599 1.00 0.00 H new ATOM 0 HA GLN A 72 16.020 2.231 0.547 1.00 0.00 H new ATOM 0 HB2 GLN A 72 14.528 4.581 1.784 1.00 0.00 H new ATOM 0 HB3 GLN A 72 14.378 2.901 2.258 1.00 0.00 H new ATOM 0 HG2 GLN A 72 16.780 2.893 2.934 1.00 0.00 H new ATOM 0 HG3 GLN A 72 16.897 4.586 2.495 1.00 0.00 H new ATOM 0 HE21 GLN A 72 15.852 6.191 3.761 1.00 0.00 H new ATOM 0 HE22 GLN A 72 15.287 5.838 5.397 1.00 0.00 H new ATOM 1166 N HIS A 73 14.159 4.100 -1.304 1.00 0.00 N ATOM 1167 CA HIS A 73 13.059 4.106 -2.261 1.00 0.00 C ATOM 1168 C HIS A 73 13.326 3.143 -3.414 1.00 0.00 C ATOM 1169 O HIS A 73 12.542 3.068 -4.358 1.00 0.00 O ATOM 1170 CB HIS A 73 12.836 5.517 -2.805 1.00 0.00 C ATOM 1171 CG HIS A 73 13.997 6.053 -3.586 1.00 0.00 C ATOM 1172 ND1 HIS A 73 15.257 6.361 -3.200 1.00 0.00 N flip ATOM 1173 CD2 HIS A 73 13.930 6.340 -4.933 1.00 0.00 C flip ATOM 1174 CE1 HIS A 73 15.921 6.824 -4.308 1.00 0.00 C flip ATOM 1175 NE2 HIS A 73 15.099 6.801 -5.342 1.00 0.00 N flip ATOM 0 H HIS A 73 14.757 4.925 -1.346 1.00 0.00 H new ATOM 0 HA HIS A 73 12.161 3.776 -1.739 1.00 0.00 H new ATOM 0 HB2 HIS A 73 11.951 5.516 -3.442 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.629 6.189 -1.972 1.00 0.00 H new ATOM 0 HD2 HIS A 73 13.058 6.209 -5.557 1.00 0.00 H new ATOM 0 HE1 HIS A 73 16.949 7.154 -4.331 1.00 0.00 H new ATOM 0 HE2 HIS A 73 15.328 7.090 -6.293 1.00 0.00 H new ATOM 1184 N ILE A 74 14.412 2.379 -3.319 1.00 0.00 N ATOM 1185 CA ILE A 74 14.625 1.264 -4.229 1.00 0.00 C ATOM 1186 C ILE A 74 14.568 -0.050 -3.471 1.00 0.00 C ATOM 1187 O ILE A 74 15.596 -0.618 -3.103 1.00 0.00 O ATOM 1188 CB ILE A 74 15.974 1.360 -4.969 1.00 0.00 C ATOM 1189 CG1 ILE A 74 16.248 2.798 -5.410 1.00 0.00 C ATOM 1190 CG2 ILE A 74 15.975 0.431 -6.173 1.00 0.00 C ATOM 1191 CD1 ILE A 74 15.150 3.393 -6.265 1.00 0.00 C ATOM 0 H ILE A 74 15.150 2.512 -2.627 1.00 0.00 H new ATOM 0 HA ILE A 74 13.829 1.307 -4.972 1.00 0.00 H new ATOM 0 HB ILE A 74 16.766 1.055 -4.285 1.00 0.00 H new ATOM 0 HG12 ILE A 74 16.385 3.420 -4.525 1.00 0.00 H new ATOM 0 HG13 ILE A 74 17.185 2.826 -5.967 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.932 0.506 -6.689 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.821 -0.596 -5.841 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.172 0.716 -6.853 1.00 0.00 H new ATOM 0 HD11 ILE A 74 15.415 4.414 -6.539 1.00 0.00 H new ATOM 0 HD12 ILE A 74 15.028 2.795 -7.168 1.00 0.00 H new ATOM 0 HD13 ILE A 74 14.215 3.399 -5.704 1.00 0.00 H new ATOM 1203 N VAL A 75 13.354 -0.507 -3.205 1.00 0.00 N ATOM 1204 CA VAL A 75 13.153 -1.657 -2.340 1.00 0.00 C ATOM 1205 C VAL A 75 13.115 -2.947 -3.149 1.00 0.00 C ATOM 1206 O VAL A 75 12.138 -3.238 -3.842 1.00 0.00 O ATOM 1207 CB VAL A 75 11.865 -1.509 -1.497 1.00 0.00 C ATOM 1208 CG1 VAL A 75 10.807 -0.737 -2.267 1.00 0.00 C ATOM 1209 CG2 VAL A 75 11.338 -2.865 -1.046 1.00 0.00 C ATOM 0 H VAL A 75 12.495 -0.100 -3.575 1.00 0.00 H new ATOM 0 HA VAL A 75 14.000 -1.704 -1.656 1.00 0.00 H new ATOM 0 HB VAL A 75 12.114 -0.942 -0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.909 -0.644 -1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.186 0.256 -2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.567 -1.269 -3.188 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.432 -2.725 -0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.111 -3.476 -1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 75 12.093 -3.365 -0.439 1.00 0.00 H new ATOM 1219 N TYR A 76 14.204 -3.703 -3.067 1.00 0.00 N ATOM 1220 CA TYR A 76 14.341 -4.941 -3.820 1.00 0.00 C ATOM 1221 C TYR A 76 13.457 -6.037 -3.235 1.00 0.00 C ATOM 1222 O TYR A 76 13.384 -6.206 -2.018 1.00 0.00 O ATOM 1223 CB TYR A 76 15.803 -5.387 -3.822 1.00 0.00 C ATOM 1224 CG TYR A 76 16.776 -4.245 -4.021 1.00 0.00 C ATOM 1225 CD1 TYR A 76 16.610 -3.341 -5.063 1.00 0.00 C ATOM 1226 CD2 TYR A 76 17.856 -4.067 -3.165 1.00 0.00 C ATOM 1227 CE1 TYR A 76 17.494 -2.296 -5.249 1.00 0.00 C ATOM 1228 CE2 TYR A 76 18.742 -3.024 -3.344 1.00 0.00 C ATOM 1229 CZ TYR A 76 18.558 -2.141 -4.387 1.00 0.00 C ATOM 1230 OH TYR A 76 19.440 -1.102 -4.568 1.00 0.00 O ATOM 0 H TYR A 76 15.009 -3.477 -2.482 1.00 0.00 H new ATOM 0 HA TYR A 76 14.019 -4.759 -4.845 1.00 0.00 H new ATOM 0 HB2 TYR A 76 16.025 -5.884 -2.878 1.00 0.00 H new ATOM 0 HB3 TYR A 76 15.950 -6.123 -4.613 1.00 0.00 H new ATOM 0 HD1 TYR A 76 15.776 -3.457 -5.739 1.00 0.00 H new ATOM 0 HD2 TYR A 76 18.004 -4.756 -2.347 1.00 0.00 H new ATOM 0 HE1 TYR A 76 17.352 -1.604 -6.066 1.00 0.00 H new ATOM 0 HE2 TYR A 76 19.576 -2.900 -2.670 1.00 0.00 H new ATOM 0 HH TYR A 76 20.074 -1.078 -3.821 1.00 0.00 H new ATOM 1240 N CYS A 77 12.781 -6.774 -4.111 1.00 0.00 N ATOM 1241 CA CYS A 77 11.866 -7.823 -3.678 1.00 0.00 C ATOM 1242 C CYS A 77 11.675 -8.872 -4.771 1.00 0.00 C ATOM 1243 O CYS A 77 10.604 -8.975 -5.369 1.00 0.00 O ATOM 1244 CB CYS A 77 10.516 -7.218 -3.283 1.00 0.00 C ATOM 1245 SG CYS A 77 9.725 -6.252 -4.591 1.00 0.00 S ATOM 0 H CYS A 77 12.850 -6.664 -5.123 1.00 0.00 H new ATOM 0 HA CYS A 77 12.302 -8.315 -2.809 1.00 0.00 H new ATOM 0 HB2 CYS A 77 9.844 -8.022 -2.984 1.00 0.00 H new ATOM 0 HB3 CYS A 77 10.658 -6.580 -2.411 1.00 0.00 H new ATOM 0 HG CYS A 77 10.263 -6.550 -5.736 1.00 0.00 H new ATOM 1251 N SER A 78 12.722 -9.656 -5.018 1.00 0.00 N ATOM 1252 CA SER A 78 12.655 -10.733 -5.999 1.00 0.00 C ATOM 1253 C SER A 78 12.299 -12.056 -5.328 1.00 0.00 C ATOM 1254 O SER A 78 12.029 -13.052 -5.999 1.00 0.00 O ATOM 1255 CB SER A 78 13.988 -10.863 -6.736 1.00 0.00 C ATOM 1256 OG SER A 78 13.944 -11.909 -7.692 1.00 0.00 O ATOM 0 H SER A 78 13.625 -9.565 -4.552 1.00 0.00 H new ATOM 0 HA SER A 78 11.874 -10.489 -6.719 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.225 -9.922 -7.233 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.786 -11.055 -6.019 1.00 0.00 H new ATOM 0 HG SER A 78 13.211 -12.522 -7.473 1.00 0.00 H new ATOM 1262 N ASN A 79 12.297 -12.053 -4.000 1.00 0.00 N ATOM 1263 CA ASN A 79 11.945 -13.240 -3.230 1.00 0.00 C ATOM 1264 C ASN A 79 11.358 -12.850 -1.877 1.00 0.00 C ATOM 1265 O ASN A 79 11.936 -13.136 -0.828 1.00 0.00 O ATOM 1266 CB ASN A 79 13.174 -14.131 -3.033 1.00 0.00 C ATOM 1267 CG ASN A 79 12.843 -15.428 -2.320 1.00 0.00 C ATOM 1268 OD1 ASN A 79 11.736 -15.953 -2.444 1.00 0.00 O ATOM 1269 ND2 ASN A 79 13.805 -15.952 -1.569 1.00 0.00 N ATOM 0 H ASN A 79 12.536 -11.240 -3.433 1.00 0.00 H new ATOM 0 HA ASN A 79 11.192 -13.797 -3.787 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.615 -14.356 -4.004 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.925 -13.587 -2.460 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.641 -16.824 -1.066 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.707 -15.482 -1.495 1.00 0.00 H new ATOM 1276 N ASP A 80 10.210 -12.180 -1.911 1.00 0.00 N ATOM 1277 CA ASP A 80 9.574 -11.686 -0.696 1.00 0.00 C ATOM 1278 C ASP A 80 8.054 -11.779 -0.802 1.00 0.00 C ATOM 1279 O ASP A 80 7.510 -12.017 -1.884 1.00 0.00 O ATOM 1280 CB ASP A 80 9.993 -10.241 -0.431 1.00 0.00 C ATOM 1281 CG ASP A 80 11.496 -10.093 -0.304 1.00 0.00 C ATOM 1282 OD1 ASP A 80 12.022 -10.309 0.808 1.00 0.00 O ATOM 1283 OD2 ASP A 80 12.146 -9.764 -1.318 1.00 0.00 O ATOM 0 H ASP A 80 9.701 -11.967 -2.769 1.00 0.00 H new ATOM 0 HA ASP A 80 9.900 -12.309 0.137 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.635 -9.606 -1.242 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.517 -9.889 0.484 1.00 0.00 H new ATOM 1288 N LEU A 81 7.369 -11.578 0.318 1.00 0.00 N ATOM 1289 CA LEU A 81 5.912 -11.548 0.319 1.00 0.00 C ATOM 1290 C LEU A 81 5.401 -10.457 -0.617 1.00 0.00 C ATOM 1291 O LEU A 81 4.430 -10.655 -1.350 1.00 0.00 O ATOM 1292 CB LEU A 81 5.387 -11.316 1.739 1.00 0.00 C ATOM 1293 CG LEU A 81 5.808 -12.370 2.765 1.00 0.00 C ATOM 1294 CD1 LEU A 81 5.318 -11.986 4.153 1.00 0.00 C ATOM 1295 CD2 LEU A 81 5.280 -13.742 2.373 1.00 0.00 C ATOM 0 H LEU A 81 7.797 -11.434 1.233 1.00 0.00 H new ATOM 0 HA LEU A 81 5.545 -12.511 -0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.730 -10.340 2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.298 -11.278 1.706 1.00 0.00 H new ATOM 0 HG LEU A 81 6.897 -12.416 2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.626 -12.746 4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.746 -11.025 4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.231 -11.912 4.147 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.590 -14.477 3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.191 -13.713 2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.679 -14.021 1.398 1.00 0.00 H new ATOM 1307 N LEU A 82 6.080 -9.314 -0.609 1.00 0.00 N ATOM 1308 CA LEU A 82 5.772 -8.242 -1.546 1.00 0.00 C ATOM 1309 C LEU A 82 6.033 -8.698 -2.975 1.00 0.00 C ATOM 1310 O LEU A 82 5.444 -8.179 -3.923 1.00 0.00 O ATOM 1311 CB LEU A 82 6.604 -6.998 -1.229 1.00 0.00 C ATOM 1312 CG LEU A 82 5.789 -5.730 -0.985 1.00 0.00 C ATOM 1313 CD1 LEU A 82 6.668 -4.635 -0.402 1.00 0.00 C ATOM 1314 CD2 LEU A 82 5.134 -5.263 -2.277 1.00 0.00 C ATOM 0 H LEU A 82 6.844 -9.108 0.034 1.00 0.00 H new ATOM 0 HA LEU A 82 4.717 -7.989 -1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.211 -7.199 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.292 -6.818 -2.055 1.00 0.00 H new ATOM 0 HG LEU A 82 5.003 -5.957 -0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.070 -3.739 -0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.089 -4.972 0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.476 -4.408 -1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.557 -4.358 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.904 -5.052 -3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.472 -6.043 -2.652 1.00 0.00 H new ATOM 1326 N GLY A 83 6.898 -9.698 -3.115 1.00 0.00 N ATOM 1327 CA GLY A 83 7.080 -10.349 -4.396 1.00 0.00 C ATOM 1328 C GLY A 83 5.811 -11.017 -4.882 1.00 0.00 C ATOM 1329 O GLY A 83 5.491 -10.967 -6.070 1.00 0.00 O ATOM 0 H GLY A 83 7.477 -10.068 -2.361 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.407 -9.614 -5.132 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.872 -11.093 -4.314 1.00 0.00 H new ATOM 1333 N ASP A 84 5.071 -11.629 -3.958 1.00 0.00 N ATOM 1334 CA ASP A 84 3.760 -12.186 -4.281 1.00 0.00 C ATOM 1335 C ASP A 84 2.860 -11.113 -4.885 1.00 0.00 C ATOM 1336 O ASP A 84 2.081 -11.384 -5.800 1.00 0.00 O ATOM 1337 CB ASP A 84 3.096 -12.786 -3.037 1.00 0.00 C ATOM 1338 CG ASP A 84 4.061 -13.606 -2.203 1.00 0.00 C ATOM 1339 OD1 ASP A 84 4.938 -14.272 -2.792 1.00 0.00 O ATOM 1340 OD2 ASP A 84 3.939 -13.582 -0.961 1.00 0.00 O ATOM 0 H ASP A 84 5.355 -11.751 -2.986 1.00 0.00 H new ATOM 0 HA ASP A 84 3.904 -12.982 -5.012 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.684 -11.983 -2.426 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.260 -13.415 -3.343 1.00 0.00 H new ATOM 1345 N LEU A 85 2.987 -9.888 -4.381 1.00 0.00 N ATOM 1346 CA LEU A 85 2.270 -8.750 -4.950 1.00 0.00 C ATOM 1347 C LEU A 85 2.794 -8.416 -6.337 1.00 0.00 C ATOM 1348 O LEU A 85 2.182 -8.762 -7.349 1.00 0.00 O ATOM 1349 CB LEU A 85 2.402 -7.524 -4.046 1.00 0.00 C ATOM 1350 CG LEU A 85 1.674 -7.630 -2.711 1.00 0.00 C ATOM 1351 CD1 LEU A 85 2.004 -6.441 -1.822 1.00 0.00 C ATOM 1352 CD2 LEU A 85 0.172 -7.733 -2.932 1.00 0.00 C ATOM 0 H LEU A 85 3.578 -9.658 -3.582 1.00 0.00 H new ATOM 0 HA LEU A 85 1.219 -9.026 -5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.460 -7.345 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.024 -6.653 -4.582 1.00 0.00 H new ATOM 0 HG LEU A 85 2.012 -8.535 -2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.474 -6.537 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.078 -6.413 -1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.697 -5.520 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.333 -7.808 -1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.180 -6.846 -3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.048 -8.619 -3.527 1.00 0.00 H new ATOM 1364 N PHE A 86 3.926 -7.728 -6.372 1.00 0.00 N ATOM 1365 CA PHE A 86 4.495 -7.254 -7.629 1.00 0.00 C ATOM 1366 C PHE A 86 5.506 -8.252 -8.184 1.00 0.00 C ATOM 1367 O PHE A 86 5.335 -8.776 -9.285 1.00 0.00 O ATOM 1368 CB PHE A 86 5.160 -5.889 -7.436 1.00 0.00 C ATOM 1369 CG PHE A 86 4.201 -4.773 -7.098 1.00 0.00 C ATOM 1370 CD1 PHE A 86 2.833 -5.001 -7.034 1.00 0.00 C ATOM 1371 CD2 PHE A 86 4.675 -3.496 -6.848 1.00 0.00 C ATOM 1372 CE1 PHE A 86 1.960 -3.975 -6.726 1.00 0.00 C ATOM 1373 CE2 PHE A 86 3.805 -2.468 -6.540 1.00 0.00 C ATOM 1374 CZ PHE A 86 2.447 -2.707 -6.480 1.00 0.00 C ATOM 0 H PHE A 86 4.470 -7.484 -5.545 1.00 0.00 H new ATOM 0 HA PHE A 86 3.681 -7.153 -8.347 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.902 -5.968 -6.641 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.697 -5.627 -8.348 1.00 0.00 H new ATOM 0 HD1 PHE A 86 2.447 -5.991 -7.227 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.736 -3.302 -6.894 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.898 -4.165 -6.678 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.188 -1.477 -6.346 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.766 -1.903 -6.241 1.00 0.00 H new ATOM 1384 N GLY A 87 6.558 -8.508 -7.413 1.00 0.00 N ATOM 1385 CA GLY A 87 7.585 -9.435 -7.847 1.00 0.00 C ATOM 1386 C GLY A 87 8.783 -8.734 -8.452 1.00 0.00 C ATOM 1387 O GLY A 87 9.821 -9.356 -8.685 1.00 0.00 O ATOM 0 H GLY A 87 6.717 -8.090 -6.496 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.911 -10.035 -6.997 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.163 -10.123 -8.580 1.00 0.00 H new ATOM 1391 N VAL A 88 8.642 -7.434 -8.702 1.00 0.00 N ATOM 1392 CA VAL A 88 9.721 -6.637 -9.255 1.00 0.00 C ATOM 1393 C VAL A 88 11.021 -6.854 -8.490 1.00 0.00 C ATOM 1394 O VAL A 88 11.014 -6.985 -7.266 1.00 0.00 O ATOM 1395 CB VAL A 88 9.380 -5.138 -9.211 1.00 0.00 C ATOM 1396 CG1 VAL A 88 10.233 -4.391 -10.206 1.00 0.00 C ATOM 1397 CG2 VAL A 88 7.904 -4.898 -9.479 1.00 0.00 C ATOM 0 H VAL A 88 7.783 -6.913 -8.527 1.00 0.00 H new ATOM 0 HA VAL A 88 9.848 -6.958 -10.289 1.00 0.00 H new ATOM 0 HB VAL A 88 9.594 -4.765 -8.209 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.988 -3.330 -10.171 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.286 -4.529 -9.958 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.043 -4.774 -11.208 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.696 -3.829 -9.441 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.646 -5.283 -10.466 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.309 -5.410 -8.723 1.00 0.00 H new ATOM 1407 N PRO A 89 12.166 -6.843 -9.198 1.00 0.00 N ATOM 1408 CA PRO A 89 13.479 -6.755 -8.561 1.00 0.00 C ATOM 1409 C PRO A 89 13.584 -5.557 -7.623 1.00 0.00 C ATOM 1410 O PRO A 89 14.342 -5.586 -6.654 1.00 0.00 O ATOM 1411 CB PRO A 89 14.456 -6.603 -9.739 1.00 0.00 C ATOM 1412 CG PRO A 89 13.608 -6.250 -10.916 1.00 0.00 C ATOM 1413 CD PRO A 89 12.270 -6.882 -10.664 1.00 0.00 C ATOM 0 HA PRO A 89 13.684 -7.627 -7.940 1.00 0.00 H new ATOM 0 HB2 PRO A 89 15.194 -5.826 -9.539 1.00 0.00 H new ATOM 0 HB3 PRO A 89 15.006 -7.527 -9.915 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.516 -5.169 -11.021 1.00 0.00 H new ATOM 0 HG3 PRO A 89 14.048 -6.623 -11.841 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.463 -6.327 -11.142 1.00 0.00 H new ATOM 0 HD3 PRO A 89 12.225 -7.902 -11.046 1.00 0.00 H new ATOM 1421 N SER A 90 12.814 -4.511 -7.915 1.00 0.00 N ATOM 1422 CA SER A 90 12.816 -3.300 -7.097 1.00 0.00 C ATOM 1423 C SER A 90 11.671 -2.376 -7.493 1.00 0.00 C ATOM 1424 O SER A 90 11.387 -2.202 -8.678 1.00 0.00 O ATOM 1425 CB SER A 90 14.143 -2.560 -7.244 1.00 0.00 C ATOM 1426 OG SER A 90 14.414 -2.258 -8.601 1.00 0.00 O ATOM 0 H SER A 90 12.180 -4.478 -8.713 1.00 0.00 H new ATOM 0 HA SER A 90 12.684 -3.598 -6.057 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.115 -1.639 -6.662 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.949 -3.170 -6.836 1.00 0.00 H new ATOM 0 HG SER A 90 15.269 -1.783 -8.666 1.00 0.00 H new ATOM 1432 N PHE A 91 11.030 -1.765 -6.502 1.00 0.00 N ATOM 1433 CA PHE A 91 9.981 -0.786 -6.773 1.00 0.00 C ATOM 1434 C PHE A 91 10.225 0.507 -6.004 1.00 0.00 C ATOM 1435 O PHE A 91 10.800 0.494 -4.917 1.00 0.00 O ATOM 1436 CB PHE A 91 8.595 -1.356 -6.441 1.00 0.00 C ATOM 1437 CG PHE A 91 8.349 -1.631 -4.981 1.00 0.00 C ATOM 1438 CD1 PHE A 91 7.827 -0.648 -4.152 1.00 0.00 C ATOM 1439 CD2 PHE A 91 8.612 -2.881 -4.443 1.00 0.00 C ATOM 1440 CE1 PHE A 91 7.571 -0.904 -2.821 1.00 0.00 C ATOM 1441 CE2 PHE A 91 8.363 -3.144 -3.108 1.00 0.00 C ATOM 1442 CZ PHE A 91 7.840 -2.154 -2.298 1.00 0.00 C ATOM 0 H PHE A 91 11.215 -1.928 -5.512 1.00 0.00 H new ATOM 0 HA PHE A 91 10.010 -0.559 -7.839 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.838 -0.657 -6.795 1.00 0.00 H new ATOM 0 HB3 PHE A 91 8.458 -2.283 -6.997 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.618 0.332 -4.555 1.00 0.00 H new ATOM 0 HD2 PHE A 91 9.016 -3.659 -5.074 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.161 -0.129 -2.190 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.577 -4.121 -2.700 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.642 -2.358 -1.256 1.00 0.00 H new ATOM 1452 N SER A 92 9.798 1.625 -6.584 1.00 0.00 N ATOM 1453 CA SER A 92 10.000 2.930 -5.967 1.00 0.00 C ATOM 1454 C SER A 92 8.765 3.361 -5.187 1.00 0.00 C ATOM 1455 O SER A 92 7.663 3.431 -5.734 1.00 0.00 O ATOM 1456 CB SER A 92 10.348 3.976 -7.028 1.00 0.00 C ATOM 1457 OG SER A 92 9.414 3.954 -8.092 1.00 0.00 O ATOM 0 H SER A 92 9.310 1.652 -7.480 1.00 0.00 H new ATOM 0 HA SER A 92 10.833 2.848 -5.269 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.364 4.967 -6.574 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.349 3.787 -7.415 1.00 0.00 H new ATOM 0 HG SER A 92 8.515 3.795 -7.735 1.00 0.00 H new ATOM 1463 N VAL A 93 8.957 3.629 -3.901 1.00 0.00 N ATOM 1464 CA VAL A 93 7.849 3.921 -3.002 1.00 0.00 C ATOM 1465 C VAL A 93 7.575 5.420 -2.932 1.00 0.00 C ATOM 1466 O VAL A 93 6.457 5.841 -2.640 1.00 0.00 O ATOM 1467 CB VAL A 93 8.135 3.386 -1.586 1.00 0.00 C ATOM 1468 CG1 VAL A 93 9.376 4.044 -1.007 1.00 0.00 C ATOM 1469 CG2 VAL A 93 6.933 3.594 -0.675 1.00 0.00 C ATOM 0 H VAL A 93 9.875 3.650 -3.456 1.00 0.00 H new ATOM 0 HA VAL A 93 6.967 3.421 -3.402 1.00 0.00 H new ATOM 0 HB VAL A 93 8.320 2.314 -1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.562 3.653 -0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.233 3.829 -1.645 1.00 0.00 H new ATOM 0 HG13 VAL A 93 9.225 5.122 -0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 93 7.159 3.208 0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.707 4.658 -0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 93 6.072 3.065 -1.082 1.00 0.00 H new ATOM 1479 N LYS A 94 8.598 6.223 -3.212 1.00 0.00 N ATOM 1480 CA LYS A 94 8.445 7.675 -3.231 1.00 0.00 C ATOM 1481 C LYS A 94 7.349 8.094 -4.203 1.00 0.00 C ATOM 1482 O LYS A 94 6.798 9.190 -4.098 1.00 0.00 O ATOM 1483 CB LYS A 94 9.765 8.348 -3.611 1.00 0.00 C ATOM 1484 CG LYS A 94 10.846 8.215 -2.552 1.00 0.00 C ATOM 1485 CD LYS A 94 10.465 8.941 -1.269 1.00 0.00 C ATOM 1486 CE LYS A 94 11.556 8.819 -0.217 1.00 0.00 C ATOM 1487 NZ LYS A 94 11.200 9.539 1.037 1.00 0.00 N ATOM 0 H LYS A 94 9.539 5.894 -3.428 1.00 0.00 H new ATOM 0 HA LYS A 94 8.160 7.996 -2.229 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.128 7.916 -4.544 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.582 9.406 -3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.018 7.160 -2.337 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.783 8.619 -2.935 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.282 9.994 -1.485 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.534 8.529 -0.879 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.730 7.766 0.006 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.489 9.219 -0.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.969 9.432 1.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.059 10.548 0.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.323 9.140 1.429 1.00 0.00 H new ATOM 1501 N GLU A 95 7.029 7.211 -5.144 1.00 0.00 N ATOM 1502 CA GLU A 95 5.957 7.469 -6.096 1.00 0.00 C ATOM 1503 C GLU A 95 4.605 7.502 -5.393 1.00 0.00 C ATOM 1504 O GLU A 95 3.979 8.559 -5.290 1.00 0.00 O ATOM 1505 CB GLU A 95 5.942 6.403 -7.194 1.00 0.00 C ATOM 1506 CG GLU A 95 7.273 6.243 -7.912 1.00 0.00 C ATOM 1507 CD GLU A 95 7.133 5.525 -9.240 1.00 0.00 C ATOM 1508 OE1 GLU A 95 7.118 4.277 -9.243 1.00 0.00 O ATOM 1509 OE2 GLU A 95 7.030 6.214 -10.278 1.00 0.00 O ATOM 0 H GLU A 95 7.496 6.313 -5.267 1.00 0.00 H new ATOM 0 HA GLU A 95 6.141 8.443 -6.550 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.659 5.446 -6.755 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.174 6.658 -7.924 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.713 7.226 -8.079 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.962 5.690 -7.274 1.00 0.00 H new ATOM 1516 N HIS A 96 4.166 6.336 -4.915 1.00 0.00 N ATOM 1517 CA HIS A 96 2.851 6.188 -4.289 1.00 0.00 C ATOM 1518 C HIS A 96 1.730 6.249 -5.323 1.00 0.00 C ATOM 1519 O HIS A 96 0.809 5.434 -5.297 1.00 0.00 O ATOM 1520 CB HIS A 96 2.634 7.253 -3.211 1.00 0.00 C ATOM 1521 CG HIS A 96 3.063 6.825 -1.843 1.00 0.00 C ATOM 1522 ND1 HIS A 96 2.265 6.075 -1.005 1.00 0.00 N ATOM 1523 CD2 HIS A 96 4.211 7.051 -1.162 1.00 0.00 C ATOM 1524 CE1 HIS A 96 2.905 5.859 0.131 1.00 0.00 C ATOM 1525 NE2 HIS A 96 4.087 6.440 0.060 1.00 0.00 N ATOM 0 H HIS A 96 4.708 5.473 -4.950 1.00 0.00 H new ATOM 0 HA HIS A 96 2.825 5.205 -3.818 1.00 0.00 H new ATOM 0 HB2 HIS A 96 3.182 8.154 -3.488 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.577 7.519 -3.184 1.00 0.00 H new ATOM 0 HD1 HIS A 96 1.328 5.740 -1.227 1.00 0.00 H new ATOM 0 HD2 HIS A 96 5.066 7.609 -1.515 1.00 0.00 H new ATOM 0 HE1 HIS A 96 2.525 5.301 0.974 1.00 0.00 H new ATOM 1534 N ARG A 97 1.823 7.201 -6.245 1.00 0.00 N ATOM 1535 CA ARG A 97 0.891 7.273 -7.362 1.00 0.00 C ATOM 1536 C ARG A 97 0.931 5.985 -8.176 1.00 0.00 C ATOM 1537 O ARG A 97 -0.083 5.304 -8.334 1.00 0.00 O ATOM 1538 CB ARG A 97 1.230 8.468 -8.256 1.00 0.00 C ATOM 1539 CG ARG A 97 0.319 8.604 -9.466 1.00 0.00 C ATOM 1540 CD ARG A 97 0.730 9.773 -10.345 1.00 0.00 C ATOM 1541 NE ARG A 97 2.092 9.627 -10.849 1.00 0.00 N ATOM 1542 CZ ARG A 97 2.648 10.460 -11.724 1.00 0.00 C ATOM 1543 NH1 ARG A 97 1.959 11.492 -12.193 1.00 0.00 N ATOM 1544 NH2 ARG A 97 3.894 10.260 -12.131 1.00 0.00 N ATOM 0 H ARG A 97 2.534 7.932 -6.240 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.115 7.402 -6.964 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.172 9.381 -7.664 1.00 0.00 H new ATOM 0 HB3 ARG A 97 2.261 8.374 -8.597 1.00 0.00 H new ATOM 0 HG2 ARG A 97 0.346 7.683 -10.048 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -0.710 8.741 -9.134 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.040 9.855 -11.185 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.652 10.699 -9.776 1.00 0.00 H new ATOM 0 HE ARG A 97 2.649 8.842 -10.511 1.00 0.00 H new ATOM 0 HH11 ARG A 97 1.000 11.648 -11.883 1.00 0.00 H new ATOM 0 HH12 ARG A 97 2.388 12.129 -12.864 1.00 0.00 H new ATOM 0 HH21 ARG A 97 4.426 9.467 -11.773 1.00 0.00 H new ATOM 0 HH22 ARG A 97 4.320 10.899 -12.802 1.00 0.00 H new ATOM 1558 N LYS A 98 2.112 5.656 -8.688 1.00 0.00 N ATOM 1559 CA LYS A 98 2.285 4.464 -9.506 1.00 0.00 C ATOM 1560 C LYS A 98 2.393 3.214 -8.639 1.00 0.00 C ATOM 1561 O LYS A 98 1.930 2.141 -9.019 1.00 0.00 O ATOM 1562 CB LYS A 98 3.527 4.597 -10.389 1.00 0.00 C ATOM 1563 CG LYS A 98 3.441 5.737 -11.390 1.00 0.00 C ATOM 1564 CD LYS A 98 4.662 5.775 -12.296 1.00 0.00 C ATOM 1565 CE LYS A 98 4.578 6.916 -13.298 1.00 0.00 C ATOM 1566 NZ LYS A 98 3.387 6.793 -14.180 1.00 0.00 N ATOM 0 H LYS A 98 2.964 6.200 -8.550 1.00 0.00 H new ATOM 0 HA LYS A 98 1.406 4.365 -10.143 1.00 0.00 H new ATOM 0 HB2 LYS A 98 4.400 4.747 -9.754 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.682 3.662 -10.928 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.541 5.625 -11.995 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.352 6.684 -10.858 1.00 0.00 H new ATOM 0 HD2 LYS A 98 5.562 5.886 -11.691 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.751 4.828 -12.828 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.538 7.866 -12.764 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.481 6.931 -13.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.478 7.451 -14.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.319 5.819 -14.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.529 7.023 -13.639 1.00 0.00 H new ATOM 1580 N ILE A 99 3.023 3.356 -7.480 1.00 0.00 N ATOM 1581 CA ILE A 99 3.304 2.211 -6.627 1.00 0.00 C ATOM 1582 C ILE A 99 2.013 1.615 -6.065 1.00 0.00 C ATOM 1583 O ILE A 99 1.905 0.400 -5.883 1.00 0.00 O ATOM 1584 CB ILE A 99 4.286 2.582 -5.483 1.00 0.00 C ATOM 1585 CG1 ILE A 99 5.304 1.458 -5.278 1.00 0.00 C ATOM 1586 CG2 ILE A 99 3.558 2.872 -4.181 1.00 0.00 C ATOM 1587 CD1 ILE A 99 4.706 0.199 -4.686 1.00 0.00 C ATOM 0 H ILE A 99 3.348 4.250 -7.111 1.00 0.00 H new ATOM 0 HA ILE A 99 3.787 1.453 -7.244 1.00 0.00 H new ATOM 0 HB ILE A 99 4.806 3.493 -5.779 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.764 1.216 -6.236 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.100 1.815 -4.624 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.283 3.127 -3.408 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.873 3.707 -4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.996 1.990 -3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.485 -0.554 -4.569 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.271 0.426 -3.712 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.930 -0.182 -5.350 1.00 0.00 H new ATOM 1599 N TYR A 100 1.023 2.469 -5.820 1.00 0.00 N ATOM 1600 CA TYR A 100 -0.263 2.014 -5.303 1.00 0.00 C ATOM 1601 C TYR A 100 -1.233 1.657 -6.423 1.00 0.00 C ATOM 1602 O TYR A 100 -2.029 0.729 -6.285 1.00 0.00 O ATOM 1603 CB TYR A 100 -0.876 3.076 -4.391 1.00 0.00 C ATOM 1604 CG TYR A 100 -0.270 3.083 -3.007 1.00 0.00 C ATOM 1605 CD1 TYR A 100 0.805 2.261 -2.706 1.00 0.00 C ATOM 1606 CD2 TYR A 100 -0.773 3.902 -2.006 1.00 0.00 C ATOM 1607 CE1 TYR A 100 1.366 2.252 -1.447 1.00 0.00 C ATOM 1608 CE2 TYR A 100 -0.216 3.902 -0.743 1.00 0.00 C ATOM 1609 CZ TYR A 100 0.854 3.076 -0.468 1.00 0.00 C ATOM 1610 OH TYR A 100 1.412 3.073 0.789 1.00 0.00 O ATOM 0 H TYR A 100 1.086 3.476 -5.971 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.080 1.108 -4.725 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.744 4.058 -4.845 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -1.949 2.904 -4.311 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.210 1.616 -3.472 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.612 4.548 -2.218 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.202 1.603 -1.229 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.616 4.546 0.026 1.00 0.00 H new ATOM 0 HH TYR A 100 0.889 2.490 1.378 1.00 0.00 H new ATOM 1620 N THR A 101 -1.169 2.388 -7.534 1.00 0.00 N ATOM 1621 CA THR A 101 -2.034 2.095 -8.673 1.00 0.00 C ATOM 1622 C THR A 101 -1.780 0.684 -9.192 1.00 0.00 C ATOM 1623 O THR A 101 -2.658 0.067 -9.797 1.00 0.00 O ATOM 1624 CB THR A 101 -1.841 3.105 -9.820 1.00 0.00 C ATOM 1625 OG1 THR A 101 -2.906 2.975 -10.769 1.00 0.00 O ATOM 1626 CG2 THR A 101 -0.512 2.888 -10.521 1.00 0.00 C ATOM 0 H THR A 101 -0.536 3.177 -7.669 1.00 0.00 H new ATOM 0 HA THR A 101 -3.062 2.175 -8.319 1.00 0.00 H new ATOM 0 HB THR A 101 -1.848 4.107 -9.392 1.00 0.00 H new ATOM 0 HG1 THR A 101 -2.778 3.621 -11.495 1.00 0.00 H new ATOM 0 HG21 THR A 101 -0.402 3.615 -11.326 1.00 0.00 H new ATOM 0 HG22 THR A 101 0.301 3.013 -9.806 1.00 0.00 H new ATOM 0 HG23 THR A 101 -0.479 1.880 -10.935 1.00 0.00 H new ATOM 1634 N MET A 102 -0.586 0.164 -8.916 1.00 0.00 N ATOM 1635 CA MET A 102 -0.295 -1.246 -9.152 1.00 0.00 C ATOM 1636 C MET A 102 -0.754 -2.091 -7.973 1.00 0.00 C ATOM 1637 O MET A 102 -1.299 -3.180 -8.154 1.00 0.00 O ATOM 1638 CB MET A 102 1.201 -1.455 -9.382 1.00 0.00 C ATOM 1639 CG MET A 102 1.797 -0.489 -10.384 1.00 0.00 C ATOM 1640 SD MET A 102 3.588 -0.641 -10.518 1.00 0.00 S ATOM 1641 CE MET A 102 4.094 -0.116 -8.882 1.00 0.00 C ATOM 0 H MET A 102 0.193 0.697 -8.530 1.00 0.00 H new ATOM 0 HA MET A 102 -0.838 -1.557 -10.045 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.725 -1.350 -8.432 1.00 0.00 H new ATOM 0 HB3 MET A 102 1.369 -2.475 -9.728 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.348 -0.663 -11.362 1.00 0.00 H new ATOM 0 HG3 MET A 102 1.544 0.531 -10.094 1.00 0.00 H new ATOM 0 HE1 MET A 102 4.619 0.837 -8.952 1.00 0.00 H new ATOM 0 HE2 MET A 102 3.214 -0.000 -8.249 1.00 0.00 H new ATOM 0 HE3 MET A 102 4.757 -0.865 -8.449 1.00 0.00 H new ATOM 1651 N ILE A 103 -0.534 -1.579 -6.763 1.00 0.00 N ATOM 1652 CA ILE A 103 -0.978 -2.267 -5.556 1.00 0.00 C ATOM 1653 C ILE A 103 -2.432 -2.714 -5.685 1.00 0.00 C ATOM 1654 O ILE A 103 -2.790 -3.821 -5.281 1.00 0.00 O ATOM 1655 CB ILE A 103 -0.825 -1.375 -4.303 1.00 0.00 C ATOM 1656 CG1 ILE A 103 0.632 -1.358 -3.831 1.00 0.00 C ATOM 1657 CG2 ILE A 103 -1.742 -1.850 -3.182 1.00 0.00 C ATOM 1658 CD1 ILE A 103 1.133 -2.702 -3.341 1.00 0.00 C ATOM 0 H ILE A 103 -0.054 -0.695 -6.595 1.00 0.00 H new ATOM 0 HA ILE A 103 -0.341 -3.144 -5.438 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.115 -0.359 -4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.266 -1.022 -4.652 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.735 -0.628 -3.028 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -1.616 -1.206 -2.311 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -2.778 -1.808 -3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.488 -2.876 -2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.172 -2.610 -3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.525 -3.032 -2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.063 -3.432 -4.147 1.00 0.00 H new ATOM 1670 N TYR A 104 -3.265 -1.849 -6.255 1.00 0.00 N ATOM 1671 CA TYR A 104 -4.676 -2.162 -6.453 1.00 0.00 C ATOM 1672 C TYR A 104 -4.931 -2.651 -7.875 1.00 0.00 C ATOM 1673 O TYR A 104 -5.012 -3.855 -8.119 1.00 0.00 O ATOM 1674 CB TYR A 104 -5.540 -0.934 -6.159 1.00 0.00 C ATOM 1675 CG TYR A 104 -5.446 -0.453 -4.729 1.00 0.00 C ATOM 1676 CD1 TYR A 104 -4.490 0.481 -4.351 1.00 0.00 C ATOM 1677 CD2 TYR A 104 -6.313 -0.934 -3.756 1.00 0.00 C ATOM 1678 CE1 TYR A 104 -4.401 0.922 -3.045 1.00 0.00 C ATOM 1679 CE2 TYR A 104 -6.231 -0.497 -2.447 1.00 0.00 C ATOM 1680 CZ TYR A 104 -5.272 0.431 -2.097 1.00 0.00 C ATOM 1681 OH TYR A 104 -5.187 0.868 -0.795 1.00 0.00 O ATOM 0 H TYR A 104 -2.987 -0.926 -6.588 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.946 -2.960 -5.761 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.244 -0.124 -6.826 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -6.580 -1.169 -6.386 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -3.805 0.869 -5.090 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -7.064 -1.662 -4.027 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -3.652 1.649 -2.768 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -6.914 -0.880 -1.703 1.00 0.00 H new ATOM 0 HH TYR A 104 -4.850 1.788 -0.780 1.00 0.00 H new