USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 620 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 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -22:sc= 0.176 USER MOD Single : A 22 THR OG1 : rot 45:sc= 0.465 USER MOD Single : A 28 SER OG : rot -38:sc= 0.467 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl -117:sc= -0.564 (180deg=-1.81!) USER MOD Single : A 35 THR OG1 : rot -110:sc=0.000927 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.26 USER MOD Single : A 67 GLN : amide:sc= -3.62 K(o=-3.6,f=-4.6!) USER MOD Single : A 68 THR OG1 : rot -31:sc= 0.58 USER MOD Single : A 69 SER OG : rot -102:sc= 1.18 USER MOD Single : A 70 THR OG1 : rot -23:sc= 0.591 USER MOD Single : A 71 THR OG1 : rot -19:sc= 0.639 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 1:sc= 0.926 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 30:sc= -0.462 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 150:sc= -0.271 (180deg=-0.88) USER MOD Single : A 97 LYS NZ :NH3+ 138:sc= -0.101 (180deg=-2.19!) USER MOD Single : A 99 THR OG1 : rot 80:sc= 1.08 USER MOD Single : A 104 THR OG1 : rot -64:sc= 0.919 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 282 N THR A 20 -2.749 -16.694 8.001 1.00 0.00 N ATOM 283 CA THR A 20 -3.772 -17.522 7.376 1.00 0.00 C ATOM 284 C THR A 20 -3.173 -18.415 6.295 1.00 0.00 C ATOM 285 O THR A 20 -2.027 -18.228 5.888 1.00 0.00 O ATOM 286 CB THR A 20 -4.888 -16.661 6.754 1.00 0.00 C ATOM 287 OG1 THR A 20 -4.316 -15.629 5.943 1.00 0.00 O ATOM 288 CG2 THR A 20 -5.759 -16.041 7.835 1.00 0.00 C ATOM 0 HA THR A 20 -4.198 -18.145 8.162 1.00 0.00 H new ATOM 0 HB THR A 20 -5.511 -17.305 6.134 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.389 -15.472 6.220 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.540 -15.438 7.372 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.216 -16.831 8.431 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.146 -15.409 8.478 1.00 0.00 H new ATOM 296 N ALA A 21 -3.956 -19.386 5.835 1.00 0.00 N ATOM 297 CA ALA A 21 -3.502 -20.306 4.800 1.00 0.00 C ATOM 298 C ALA A 21 -3.962 -19.849 3.420 1.00 0.00 C ATOM 299 O ALA A 21 -4.914 -19.078 3.294 1.00 0.00 O ATOM 300 CB ALA A 21 -4.006 -21.713 5.087 1.00 0.00 C ATOM 0 H ALA A 21 -4.907 -19.555 6.163 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.412 -20.313 4.807 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.660 -22.390 4.306 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.624 -22.046 6.052 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.096 -21.712 5.109 1.00 0.00 H new ATOM 306 N THR A 22 -3.279 -20.328 2.385 1.00 0.00 N ATOM 307 CA THR A 22 -3.615 -19.967 1.013 1.00 0.00 C ATOM 308 C THR A 22 -3.676 -21.200 0.119 1.00 0.00 C ATOM 309 O THR A 22 -2.646 -21.726 -0.301 1.00 0.00 O ATOM 310 CB THR A 22 -2.595 -18.972 0.428 1.00 0.00 C ATOM 311 OG1 THR A 22 -1.266 -19.474 0.602 1.00 0.00 O ATOM 312 CG2 THR A 22 -2.721 -17.612 1.097 1.00 0.00 C ATOM 0 H THR A 22 -2.489 -20.968 2.471 1.00 0.00 H new ATOM 0 HA THR A 22 -4.597 -19.494 1.042 1.00 0.00 H new ATOM 0 HB THR A 22 -2.802 -18.856 -0.636 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.241 -20.424 0.362 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.991 -16.926 0.668 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.725 -17.220 0.937 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.537 -17.714 2.167 1.00 0.00 H new ATOM 320 N ALA A 23 -4.890 -21.657 -0.169 1.00 0.00 N ATOM 321 CA ALA A 23 -5.085 -22.827 -1.016 1.00 0.00 C ATOM 322 C ALA A 23 -5.143 -22.435 -2.489 1.00 0.00 C ATOM 323 O ALA A 23 -5.527 -21.321 -2.845 1.00 0.00 O ATOM 324 CB ALA A 23 -6.354 -23.564 -0.614 1.00 0.00 C ATOM 0 H ALA A 23 -5.754 -21.235 0.172 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.232 -23.492 -0.877 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.487 -24.436 -1.255 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.274 -23.886 0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.211 -22.899 -0.723 1.00 0.00 H new ATOM 330 N PRO A 24 -4.751 -23.371 -3.367 1.00 0.00 N ATOM 331 CA PRO A 24 -4.749 -23.145 -4.815 1.00 0.00 C ATOM 332 C PRO A 24 -6.158 -23.056 -5.390 1.00 0.00 C ATOM 333 O PRO A 24 -6.339 -22.930 -6.600 1.00 0.00 O ATOM 334 CB PRO A 24 -4.024 -24.377 -5.364 1.00 0.00 C ATOM 335 CG PRO A 24 -4.239 -25.433 -4.336 1.00 0.00 C ATOM 336 CD PRO A 24 -4.280 -24.720 -3.013 1.00 0.00 C ATOM 0 HA PRO A 24 -4.274 -22.200 -5.080 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.429 -24.677 -6.330 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.962 -24.179 -5.512 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.169 -25.971 -4.518 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.435 -26.169 -4.358 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.956 -25.211 -2.313 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.298 -24.692 -2.541 1.00 0.00 H new ATOM 344 N GLY A 25 -7.156 -23.122 -4.513 1.00 0.00 N ATOM 345 CA GLY A 25 -8.537 -23.047 -4.953 1.00 0.00 C ATOM 346 C GLY A 25 -8.948 -24.249 -5.779 1.00 0.00 C ATOM 347 O GLY A 25 -8.340 -24.542 -6.808 1.00 0.00 O ATOM 0 H GLY A 25 -7.032 -23.226 -3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.189 -22.968 -4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.679 -22.140 -5.541 1.00 0.00 H new ATOM 351 N GLY A 26 -9.984 -24.950 -5.327 1.00 0.00 N ATOM 352 CA GLY A 26 -10.457 -26.120 -6.043 1.00 0.00 C ATOM 353 C GLY A 26 -11.952 -26.325 -5.895 1.00 0.00 C ATOM 354 O GLY A 26 -12.486 -27.362 -6.292 1.00 0.00 O ATOM 0 H GLY A 26 -10.504 -24.728 -4.478 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.210 -26.020 -7.100 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.934 -27.003 -5.676 1.00 0.00 H new ATOM 358 N LEU A 27 -12.629 -25.338 -5.320 1.00 0.00 N ATOM 359 CA LEU A 27 -14.072 -25.415 -5.118 1.00 0.00 C ATOM 360 C LEU A 27 -14.787 -25.751 -6.423 1.00 0.00 C ATOM 361 O LEU A 27 -14.233 -25.577 -7.509 1.00 0.00 O ATOM 362 CB LEU A 27 -14.600 -24.092 -4.560 1.00 0.00 C ATOM 363 CG LEU A 27 -14.660 -23.983 -3.036 1.00 0.00 C ATOM 364 CD1 LEU A 27 -13.356 -23.425 -2.489 1.00 0.00 C ATOM 365 CD2 LEU A 27 -15.835 -23.115 -2.610 1.00 0.00 C ATOM 0 H LEU A 27 -12.202 -24.474 -4.985 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.272 -26.211 -4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.972 -23.285 -4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.602 -23.928 -4.956 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.804 -24.982 -2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.417 -23.355 -1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.534 -24.086 -2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.180 -22.434 -2.907 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.863 -23.048 -1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.722 -22.116 -3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.764 -23.558 -2.970 1.00 0.00 H new ATOM 377 N SER A 28 -16.020 -26.232 -6.309 1.00 0.00 N ATOM 378 CA SER A 28 -16.811 -26.594 -7.479 1.00 0.00 C ATOM 379 C SER A 28 -18.056 -25.719 -7.586 1.00 0.00 C ATOM 380 O SER A 28 -18.831 -25.836 -8.534 1.00 0.00 O ATOM 381 CB SER A 28 -17.214 -28.069 -7.412 1.00 0.00 C ATOM 382 OG SER A 28 -17.876 -28.471 -8.599 1.00 0.00 O ATOM 0 H SER A 28 -16.493 -26.380 -5.418 1.00 0.00 H new ATOM 0 HA SER A 28 -16.198 -26.432 -8.365 1.00 0.00 H new ATOM 0 HB2 SER A 28 -16.328 -28.685 -7.260 1.00 0.00 H new ATOM 0 HB3 SER A 28 -17.867 -28.232 -6.555 1.00 0.00 H new ATOM 0 HG SER A 28 -18.452 -27.744 -8.915 1.00 0.00 H new ATOM 388 N ALA A 29 -18.241 -24.842 -6.604 1.00 0.00 N ATOM 389 CA ALA A 29 -19.390 -23.945 -6.588 1.00 0.00 C ATOM 390 C ALA A 29 -19.167 -22.786 -5.623 1.00 0.00 C ATOM 391 O ALA A 29 -18.212 -22.785 -4.846 1.00 0.00 O ATOM 392 CB ALA A 29 -20.651 -24.710 -6.215 1.00 0.00 C ATOM 0 H ALA A 29 -17.610 -24.734 -5.810 1.00 0.00 H new ATOM 0 HA ALA A 29 -19.512 -23.532 -7.589 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -21.501 -24.028 -6.207 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -20.827 -25.500 -6.945 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -20.530 -25.151 -5.225 1.00 0.00 H new ATOM 398 N LYS A 30 -20.054 -21.798 -5.678 1.00 0.00 N ATOM 399 CA LYS A 30 -19.955 -20.631 -4.808 1.00 0.00 C ATOM 400 C LYS A 30 -20.207 -21.014 -3.353 1.00 0.00 C ATOM 401 O LYS A 30 -21.154 -21.738 -3.047 1.00 0.00 O ATOM 402 CB LYS A 30 -20.955 -19.558 -5.245 1.00 0.00 C ATOM 403 CG LYS A 30 -22.378 -20.072 -5.379 1.00 0.00 C ATOM 404 CD LYS A 30 -23.335 -18.963 -5.787 1.00 0.00 C ATOM 405 CE LYS A 30 -24.604 -19.524 -6.409 1.00 0.00 C ATOM 406 NZ LYS A 30 -25.205 -18.579 -7.391 1.00 0.00 N ATOM 0 H LYS A 30 -20.850 -21.782 -6.316 1.00 0.00 H new ATOM 0 HA LYS A 30 -18.944 -20.232 -4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -20.939 -18.742 -4.522 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -20.636 -19.143 -6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -22.409 -20.871 -6.119 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -22.701 -20.503 -4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -23.591 -18.362 -4.914 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -22.843 -18.299 -6.498 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -24.379 -20.468 -6.905 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -25.328 -19.741 -5.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -26.068 -18.998 -7.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -25.444 -17.687 -6.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -24.524 -18.391 -8.154 1.00 0.00 H new ATOM 420 N ALA A 31 -19.354 -20.522 -2.461 1.00 0.00 N ATOM 421 CA ALA A 31 -19.487 -20.810 -1.038 1.00 0.00 C ATOM 422 C ALA A 31 -19.124 -19.592 -0.195 1.00 0.00 C ATOM 423 O ALA A 31 -18.099 -18.944 -0.406 1.00 0.00 O ATOM 424 CB ALA A 31 -18.615 -21.997 -0.656 1.00 0.00 C ATOM 0 H ALA A 31 -18.564 -19.922 -2.698 1.00 0.00 H new ATOM 0 HA ALA A 31 -20.529 -21.060 -0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -18.724 -22.201 0.409 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -18.923 -22.873 -1.227 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -17.572 -21.768 -0.877 1.00 0.00 H new ATOM 430 N PRO A 32 -19.984 -19.271 0.782 1.00 0.00 N ATOM 431 CA PRO A 32 -19.776 -18.128 1.677 1.00 0.00 C ATOM 432 C PRO A 32 -18.613 -18.349 2.638 1.00 0.00 C ATOM 433 O PRO A 32 -18.170 -19.479 2.842 1.00 0.00 O ATOM 434 CB PRO A 32 -21.096 -18.034 2.446 1.00 0.00 C ATOM 435 CG PRO A 32 -21.655 -19.414 2.408 1.00 0.00 C ATOM 436 CD PRO A 32 -21.227 -19.998 1.091 1.00 0.00 C ATOM 0 HA PRO A 32 -19.522 -17.221 1.128 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -20.934 -17.700 3.471 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -21.775 -17.319 1.981 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -21.279 -20.010 3.240 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -22.742 -19.397 2.493 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -21.056 -21.072 1.164 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.983 -19.847 0.320 1.00 0.00 H new ATOM 444 N ALA A 33 -18.123 -17.263 3.227 1.00 0.00 N ATOM 445 CA ALA A 33 -17.014 -17.340 4.169 1.00 0.00 C ATOM 446 C ALA A 33 -17.497 -17.762 5.553 1.00 0.00 C ATOM 447 O ALA A 33 -18.668 -18.089 5.738 1.00 0.00 O ATOM 448 CB ALA A 33 -16.293 -16.002 4.245 1.00 0.00 C ATOM 0 H ALA A 33 -18.477 -16.320 3.068 1.00 0.00 H new ATOM 0 HA ALA A 33 -16.317 -18.097 3.810 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.467 -16.074 4.952 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.906 -15.741 3.260 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.989 -15.232 4.577 1.00 0.00 H new ATOM 454 N MET A 34 -16.586 -17.752 6.521 1.00 0.00 N ATOM 455 CA MET A 34 -16.921 -18.133 7.888 1.00 0.00 C ATOM 456 C MET A 34 -17.476 -19.553 7.936 1.00 0.00 C ATOM 457 O MET A 34 -18.557 -19.791 8.476 1.00 0.00 O ATOM 458 CB MET A 34 -17.938 -17.155 8.479 1.00 0.00 C ATOM 459 CG MET A 34 -17.314 -15.874 9.008 1.00 0.00 C ATOM 460 SD MET A 34 -16.035 -16.182 10.240 1.00 0.00 S ATOM 461 CE MET A 34 -17.012 -16.860 11.580 1.00 0.00 C ATOM 0 H MET A 34 -15.611 -17.484 6.384 1.00 0.00 H new ATOM 0 HA MET A 34 -16.008 -18.098 8.482 1.00 0.00 H new ATOM 0 HB2 MET A 34 -18.673 -16.903 7.715 1.00 0.00 H new ATOM 0 HB3 MET A 34 -18.476 -17.648 9.288 1.00 0.00 H new ATOM 0 HG2 MET A 34 -16.885 -15.313 8.177 1.00 0.00 H new ATOM 0 HG3 MET A 34 -18.092 -15.249 9.446 1.00 0.00 H new ATOM 0 HE1 MET A 34 -16.946 -16.203 12.447 1.00 0.00 H new ATOM 0 HE2 MET A 34 -18.052 -16.943 11.266 1.00 0.00 H new ATOM 0 HE3 MET A 34 -16.632 -17.847 11.844 1.00 0.00 H new ATOM 471 N THR A 35 -16.729 -20.495 7.368 1.00 0.00 N ATOM 472 CA THR A 35 -17.147 -21.891 7.345 1.00 0.00 C ATOM 473 C THR A 35 -15.948 -22.822 7.202 1.00 0.00 C ATOM 474 O THR A 35 -14.974 -22.518 6.513 1.00 0.00 O ATOM 475 CB THR A 35 -18.133 -22.163 6.193 1.00 0.00 C ATOM 476 OG1 THR A 35 -17.480 -21.972 4.933 1.00 0.00 O ATOM 477 CG2 THR A 35 -19.342 -21.245 6.288 1.00 0.00 C ATOM 0 H THR A 35 -15.831 -20.316 6.918 1.00 0.00 H new ATOM 0 HA THR A 35 -17.645 -22.087 8.294 1.00 0.00 H new ATOM 0 HB THR A 35 -18.473 -23.195 6.272 1.00 0.00 H new ATOM 0 HG1 THR A 35 -17.835 -21.168 4.499 1.00 0.00 H new ATOM 0 HG21 THR A 35 -20.024 -21.455 5.464 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.854 -21.414 7.235 1.00 0.00 H new ATOM 0 HG23 THR A 35 -19.016 -20.207 6.233 1.00 0.00 H new ATOM 485 N PRO A 36 -16.018 -23.984 7.868 1.00 0.00 N ATOM 486 CA PRO A 36 -14.946 -24.984 7.830 1.00 0.00 C ATOM 487 C PRO A 36 -14.831 -25.658 6.467 1.00 0.00 C ATOM 488 O PRO A 36 -15.833 -26.063 5.877 1.00 0.00 O ATOM 489 CB PRO A 36 -15.370 -25.999 8.895 1.00 0.00 C ATOM 490 CG PRO A 36 -16.851 -25.861 8.981 1.00 0.00 C ATOM 491 CD PRO A 36 -17.149 -24.413 8.708 1.00 0.00 C ATOM 0 HA PRO A 36 -13.967 -24.540 8.011 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.082 -27.012 8.613 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.896 -25.788 9.854 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -17.346 -26.505 8.254 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.214 -26.155 9.966 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -18.102 -24.289 8.193 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.207 -23.834 9.630 1.00 0.00 H new ATOM 499 N LEU A 37 -13.604 -25.776 5.973 1.00 0.00 N ATOM 500 CA LEU A 37 -13.357 -26.403 4.678 1.00 0.00 C ATOM 501 C LEU A 37 -12.463 -27.630 4.829 1.00 0.00 C ATOM 502 O LEU A 37 -11.901 -27.873 5.896 1.00 0.00 O ATOM 503 CB LEU A 37 -12.711 -25.401 3.720 1.00 0.00 C ATOM 504 CG LEU A 37 -13.235 -23.967 3.794 1.00 0.00 C ATOM 505 CD1 LEU A 37 -12.207 -22.994 3.238 1.00 0.00 C ATOM 506 CD2 LEU A 37 -14.552 -23.841 3.043 1.00 0.00 C ATOM 0 H LEU A 37 -12.764 -25.446 6.449 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.315 -26.723 4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.638 -25.385 3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.847 -25.764 2.701 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.412 -23.719 4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.597 -21.978 3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.288 -23.065 3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.998 -23.241 2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.910 -22.813 3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.402 -24.109 1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.289 -24.510 3.487 1.00 0.00 H new ATOM 518 N MET A 38 -12.335 -28.398 3.752 1.00 0.00 N ATOM 519 CA MET A 38 -11.507 -29.598 3.764 1.00 0.00 C ATOM 520 C MET A 38 -10.474 -29.556 2.642 1.00 0.00 C ATOM 521 O MET A 38 -10.672 -28.887 1.627 1.00 0.00 O ATOM 522 CB MET A 38 -12.378 -30.847 3.624 1.00 0.00 C ATOM 523 CG MET A 38 -13.017 -30.992 2.252 1.00 0.00 C ATOM 524 SD MET A 38 -14.375 -32.178 2.240 1.00 0.00 S ATOM 525 CE MET A 38 -13.474 -33.724 2.168 1.00 0.00 C ATOM 0 H MET A 38 -12.794 -28.211 2.860 1.00 0.00 H new ATOM 0 HA MET A 38 -10.981 -29.637 4.718 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.770 -31.729 3.828 1.00 0.00 H new ATOM 0 HB3 MET A 38 -13.163 -30.819 4.380 1.00 0.00 H new ATOM 0 HG2 MET A 38 -13.385 -30.020 1.923 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.259 -31.306 1.534 1.00 0.00 H new ATOM 0 HE1 MET A 38 -14.179 -34.555 2.154 1.00 0.00 H new ATOM 0 HE2 MET A 38 -12.866 -33.749 1.264 1.00 0.00 H new ATOM 0 HE3 MET A 38 -12.828 -33.810 3.042 1.00 0.00 H new ATOM 535 N LEU A 39 -9.372 -30.274 2.831 1.00 0.00 N ATOM 536 CA LEU A 39 -8.307 -30.318 1.835 1.00 0.00 C ATOM 537 C LEU A 39 -8.330 -31.639 1.072 1.00 0.00 C ATOM 538 O LEU A 39 -8.369 -32.713 1.672 1.00 0.00 O ATOM 539 CB LEU A 39 -6.946 -30.127 2.506 1.00 0.00 C ATOM 540 CG LEU A 39 -5.874 -29.433 1.664 1.00 0.00 C ATOM 541 CD1 LEU A 39 -5.771 -30.081 0.292 1.00 0.00 C ATOM 542 CD2 LEU A 39 -6.177 -27.948 1.534 1.00 0.00 C ATOM 0 H LEU A 39 -9.193 -30.834 3.665 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.472 -29.507 1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.091 -29.551 3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.569 -31.106 2.803 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.914 -29.544 2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.004 -29.574 -0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.506 -31.132 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.730 -30.002 -0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.404 -27.470 0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.146 -27.815 1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.198 -27.493 2.524 1.00 0.00 H new ATOM 626 N LYS A 45 -6.166 -29.567 -3.636 1.00 0.00 N ATOM 627 CA LYS A 45 -6.826 -28.269 -3.549 1.00 0.00 C ATOM 628 C LYS A 45 -7.739 -28.204 -2.329 1.00 0.00 C ATOM 629 O LYS A 45 -8.077 -29.230 -1.738 1.00 0.00 O ATOM 630 CB LYS A 45 -7.634 -27.999 -4.820 1.00 0.00 C ATOM 631 CG LYS A 45 -6.778 -27.846 -6.065 1.00 0.00 C ATOM 632 CD LYS A 45 -7.527 -28.279 -7.314 1.00 0.00 C ATOM 633 CE LYS A 45 -6.676 -28.105 -8.563 1.00 0.00 C ATOM 634 NZ LYS A 45 -7.422 -28.472 -9.798 1.00 0.00 N ATOM 0 HA LYS A 45 -6.057 -27.504 -3.446 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.339 -28.816 -4.972 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.222 -27.092 -4.680 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.467 -26.806 -6.168 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.871 -28.441 -5.959 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.824 -29.323 -7.218 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.442 -27.695 -7.412 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.343 -27.070 -8.634 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.782 -28.723 -8.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.808 -28.340 -10.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.718 -29.467 -9.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.262 -27.866 -9.889 1.00 0.00 H new ATOM 648 N LEU A 46 -8.137 -26.992 -1.958 1.00 0.00 N ATOM 649 CA LEU A 46 -9.013 -26.793 -0.809 1.00 0.00 C ATOM 650 C LEU A 46 -10.436 -26.478 -1.257 1.00 0.00 C ATOM 651 O LEU A 46 -10.665 -25.542 -2.024 1.00 0.00 O ATOM 652 CB LEU A 46 -8.482 -25.660 0.072 1.00 0.00 C ATOM 653 CG LEU A 46 -9.241 -25.412 1.376 1.00 0.00 C ATOM 654 CD1 LEU A 46 -8.810 -26.408 2.442 1.00 0.00 C ATOM 655 CD2 LEU A 46 -9.021 -23.986 1.858 1.00 0.00 C ATOM 0 H LEU A 46 -7.867 -26.132 -2.436 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.029 -27.718 -0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.441 -25.873 0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.491 -24.739 -0.511 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.305 -25.551 1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.361 -26.216 3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.019 -27.421 2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.742 -26.301 2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.569 -23.827 2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.958 -23.820 2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.379 -23.287 1.102 1.00 0.00 H new ATOM 667 N VAL A 47 -11.392 -27.266 -0.773 1.00 0.00 N ATOM 668 CA VAL A 47 -12.794 -27.069 -1.121 1.00 0.00 C ATOM 669 C VAL A 47 -13.669 -27.030 0.126 1.00 0.00 C ATOM 670 O VAL A 47 -13.248 -27.442 1.206 1.00 0.00 O ATOM 671 CB VAL A 47 -13.301 -28.184 -2.056 1.00 0.00 C ATOM 672 CG1 VAL A 47 -12.387 -28.325 -3.263 1.00 0.00 C ATOM 673 CG2 VAL A 47 -13.412 -29.501 -1.303 1.00 0.00 C ATOM 0 H VAL A 47 -11.221 -28.046 -0.139 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.861 -26.112 -1.638 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.294 -27.912 -2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.761 -29.117 -3.912 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.364 -27.385 -3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.380 -28.574 -2.929 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -13.771 -30.277 -1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.433 -29.782 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -14.111 -29.389 -0.475 1.00 0.00 H new ATOM 683 N ALA A 48 -14.891 -26.530 -0.031 1.00 0.00 N ATOM 684 CA ALA A 48 -15.828 -26.439 1.082 1.00 0.00 C ATOM 685 C ALA A 48 -16.068 -27.807 1.711 1.00 0.00 C ATOM 686 O ALA A 48 -16.110 -28.821 1.015 1.00 0.00 O ATOM 687 CB ALA A 48 -17.143 -25.831 0.617 1.00 0.00 C ATOM 0 H ALA A 48 -15.255 -26.182 -0.918 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.390 -25.791 1.841 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -17.833 -25.769 1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -16.962 -24.831 0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -17.577 -26.456 -0.163 1.00 0.00 H new ATOM 693 N TRP A 49 -16.224 -27.827 3.030 1.00 0.00 N ATOM 694 CA TRP A 49 -16.459 -29.072 3.753 1.00 0.00 C ATOM 695 C TRP A 49 -17.763 -29.723 3.304 1.00 0.00 C ATOM 696 O TRP A 49 -18.749 -29.038 3.034 1.00 0.00 O ATOM 697 CB TRP A 49 -16.497 -28.811 5.259 1.00 0.00 C ATOM 698 CG TRP A 49 -16.691 -30.055 6.073 1.00 0.00 C ATOM 699 CD1 TRP A 49 -16.212 -31.302 5.789 1.00 0.00 C ATOM 700 CD2 TRP A 49 -17.418 -30.172 7.300 1.00 0.00 C ATOM 701 NE1 TRP A 49 -16.597 -32.187 6.767 1.00 0.00 N ATOM 702 CE2 TRP A 49 -17.337 -31.518 7.706 1.00 0.00 C ATOM 703 CE3 TRP A 49 -18.127 -29.270 8.098 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -17.940 -31.981 8.872 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -18.725 -29.731 9.255 1.00 0.00 C ATOM 706 CH2 TRP A 49 -18.629 -31.076 9.634 1.00 0.00 C ATOM 0 H TRP A 49 -16.192 -26.996 3.620 1.00 0.00 H new ATOM 0 HA TRP A 49 -15.638 -29.754 3.530 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -15.567 -28.329 5.561 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -17.304 -28.112 5.479 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -15.618 -31.555 4.923 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.369 -33.181 6.790 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -18.206 -28.231 7.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -17.867 -33.018 9.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -19.276 -29.042 9.878 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -19.108 -31.405 10.544 1.00 0.00 H new ATOM 717 N ASP A 50 -17.760 -31.049 3.227 1.00 0.00 N ATOM 718 CA ASP A 50 -18.944 -31.794 2.813 1.00 0.00 C ATOM 719 C ASP A 50 -20.014 -31.762 3.899 1.00 0.00 C ATOM 720 O ASP A 50 -21.194 -31.559 3.617 1.00 0.00 O ATOM 721 CB ASP A 50 -18.574 -33.241 2.485 1.00 0.00 C ATOM 722 CG ASP A 50 -18.087 -33.406 1.059 1.00 0.00 C ATOM 723 OD1 ASP A 50 -16.990 -32.900 0.745 1.00 0.00 O ATOM 724 OD2 ASP A 50 -18.804 -34.040 0.257 1.00 0.00 O ATOM 0 H ASP A 50 -16.951 -31.631 3.446 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.347 -31.319 1.918 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.798 -33.579 3.172 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -19.442 -33.880 2.645 1.00 0.00 H new ATOM 729 N GLY A 51 -19.592 -31.966 5.144 1.00 0.00 N ATOM 730 CA GLY A 51 -20.527 -31.958 6.254 1.00 0.00 C ATOM 731 C GLY A 51 -20.612 -33.302 6.949 1.00 0.00 C ATOM 732 O GLY A 51 -21.077 -33.394 8.086 1.00 0.00 O ATOM 0 H GLY A 51 -18.620 -32.136 5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.224 -31.198 6.975 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.515 -31.677 5.891 1.00 0.00 H new ATOM 736 N THR A 52 -20.165 -34.351 6.265 1.00 0.00 N ATOM 737 CA THR A 52 -20.195 -35.697 6.822 1.00 0.00 C ATOM 738 C THR A 52 -18.796 -36.166 7.204 1.00 0.00 C ATOM 739 O THR A 52 -18.559 -36.592 8.334 1.00 0.00 O ATOM 740 CB THR A 52 -20.808 -36.702 5.829 1.00 0.00 C ATOM 741 OG1 THR A 52 -20.013 -36.761 4.639 1.00 0.00 O ATOM 742 CG2 THR A 52 -22.234 -36.311 5.474 1.00 0.00 C ATOM 0 H THR A 52 -19.778 -34.293 5.323 1.00 0.00 H new ATOM 0 HA THR A 52 -20.817 -35.655 7.716 1.00 0.00 H new ATOM 0 HB THR A 52 -20.825 -37.683 6.303 1.00 0.00 H new ATOM 0 HG1 THR A 52 -20.408 -37.403 4.013 1.00 0.00 H new ATOM 0 HG21 THR A 52 -22.646 -37.036 4.771 1.00 0.00 H new ATOM 0 HG22 THR A 52 -22.843 -36.296 6.378 1.00 0.00 H new ATOM 0 HG23 THR A 52 -22.237 -35.321 5.018 1.00 0.00 H new ATOM 750 N THR A 53 -17.869 -36.084 6.254 1.00 0.00 N ATOM 751 CA THR A 53 -16.493 -36.500 6.490 1.00 0.00 C ATOM 752 C THR A 53 -16.016 -36.063 7.871 1.00 0.00 C ATOM 753 O THR A 53 -15.930 -34.869 8.159 1.00 0.00 O ATOM 754 CB THR A 53 -15.541 -35.925 5.425 1.00 0.00 C ATOM 755 OG1 THR A 53 -15.975 -36.316 4.118 1.00 0.00 O ATOM 756 CG2 THR A 53 -14.116 -36.404 5.657 1.00 0.00 C ATOM 0 H THR A 53 -18.047 -35.733 5.313 1.00 0.00 H new ATOM 0 HA THR A 53 -16.477 -37.588 6.430 1.00 0.00 H new ATOM 0 HB THR A 53 -15.558 -34.838 5.503 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.365 -35.945 3.446 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.462 -35.985 4.892 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.779 -36.079 6.641 1.00 0.00 H new ATOM 0 HG23 THR A 53 -14.085 -37.492 5.604 1.00 0.00 H new ATOM 764 N ASP A 54 -15.705 -37.036 8.720 1.00 0.00 N ATOM 765 CA ASP A 54 -15.234 -36.751 10.070 1.00 0.00 C ATOM 766 C ASP A 54 -13.779 -36.296 10.053 1.00 0.00 C ATOM 767 O ASP A 54 -12.910 -36.978 9.510 1.00 0.00 O ATOM 768 CB ASP A 54 -15.385 -37.988 10.957 1.00 0.00 C ATOM 769 CG ASP A 54 -14.667 -39.198 10.390 1.00 0.00 C ATOM 770 OD1 ASP A 54 -15.271 -39.911 9.562 1.00 0.00 O ATOM 771 OD2 ASP A 54 -13.502 -39.432 10.776 1.00 0.00 O ATOM 0 H ASP A 54 -15.771 -38.029 8.497 1.00 0.00 H new ATOM 0 HA ASP A 54 -15.843 -35.944 10.478 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.993 -37.769 11.950 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -16.443 -38.220 11.075 1.00 0.00 H new ATOM 776 N GLY A 55 -13.519 -35.137 10.652 1.00 0.00 N ATOM 777 CA GLY A 55 -12.168 -34.610 10.693 1.00 0.00 C ATOM 778 C GLY A 55 -11.733 -34.023 9.365 1.00 0.00 C ATOM 779 O GLY A 55 -10.540 -33.871 9.106 1.00 0.00 O ATOM 0 H GLY A 55 -14.220 -34.554 11.109 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.104 -33.842 11.464 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.480 -35.406 10.978 1.00 0.00 H new ATOM 783 N ALA A 56 -12.704 -33.694 8.520 1.00 0.00 N ATOM 784 CA ALA A 56 -12.416 -33.120 7.211 1.00 0.00 C ATOM 785 C ALA A 56 -12.091 -31.634 7.323 1.00 0.00 C ATOM 786 O ALA A 56 -11.299 -31.103 6.545 1.00 0.00 O ATOM 787 CB ALA A 56 -13.592 -33.336 6.270 1.00 0.00 C ATOM 0 H ALA A 56 -13.697 -33.815 8.718 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.541 -33.627 6.804 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.363 -32.902 5.296 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.776 -34.404 6.157 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.480 -32.856 6.681 1.00 0.00 H new ATOM 793 N ALA A 57 -12.708 -30.969 8.294 1.00 0.00 N ATOM 794 CA ALA A 57 -12.483 -29.545 8.507 1.00 0.00 C ATOM 795 C ALA A 57 -11.034 -29.270 8.894 1.00 0.00 C ATOM 796 O ALA A 57 -10.544 -29.777 9.904 1.00 0.00 O ATOM 797 CB ALA A 57 -13.427 -29.016 9.577 1.00 0.00 C ATOM 0 H ALA A 57 -13.368 -31.394 8.946 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.686 -29.026 7.570 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.248 -27.951 9.726 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.459 -29.170 9.260 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -13.251 -29.548 10.512 1.00 0.00 H new ATOM 803 N VAL A 58 -10.353 -28.465 8.085 1.00 0.00 N ATOM 804 CA VAL A 58 -8.959 -28.123 8.344 1.00 0.00 C ATOM 805 C VAL A 58 -8.815 -26.653 8.721 1.00 0.00 C ATOM 806 O VAL A 58 -7.927 -26.282 9.486 1.00 0.00 O ATOM 807 CB VAL A 58 -8.073 -28.416 7.119 1.00 0.00 C ATOM 808 CG1 VAL A 58 -8.227 -29.865 6.682 1.00 0.00 C ATOM 809 CG2 VAL A 58 -8.410 -27.468 5.978 1.00 0.00 C ATOM 0 H VAL A 58 -10.743 -28.038 7.245 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.630 -28.743 9.178 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.032 -28.255 7.399 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.593 -30.053 5.815 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.931 -30.524 7.498 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.267 -30.057 6.419 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.774 -27.690 5.121 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.455 -27.594 5.697 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.242 -26.440 6.298 1.00 0.00 H new ATOM 819 N GLY A 59 -9.697 -25.819 8.178 1.00 0.00 N ATOM 820 CA GLY A 59 -9.652 -24.398 8.469 1.00 0.00 C ATOM 821 C GLY A 59 -10.959 -23.699 8.154 1.00 0.00 C ATOM 822 O GLY A 59 -11.870 -24.301 7.584 1.00 0.00 O ATOM 0 H GLY A 59 -10.442 -26.102 7.542 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.411 -24.254 9.522 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.850 -23.938 7.893 1.00 0.00 H new ATOM 826 N ILE A 60 -11.054 -22.428 8.527 1.00 0.00 N ATOM 827 CA ILE A 60 -12.260 -21.647 8.280 1.00 0.00 C ATOM 828 C ILE A 60 -12.036 -20.624 7.173 1.00 0.00 C ATOM 829 O ILE A 60 -11.052 -19.883 7.187 1.00 0.00 O ATOM 830 CB ILE A 60 -12.727 -20.916 9.553 1.00 0.00 C ATOM 831 CG1 ILE A 60 -12.911 -21.911 10.700 1.00 0.00 C ATOM 832 CG2 ILE A 60 -14.021 -20.162 9.285 1.00 0.00 C ATOM 833 CD1 ILE A 60 -12.983 -21.256 12.062 1.00 0.00 C ATOM 0 H ILE A 60 -10.310 -21.916 9.002 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.033 -22.350 7.970 1.00 0.00 H new ATOM 0 HB ILE A 60 -11.962 -20.195 9.842 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.824 -22.482 10.532 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.084 -22.621 10.690 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -14.339 -19.650 10.193 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -13.858 -19.430 8.494 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.794 -20.865 8.975 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -13.114 -22.021 12.827 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -12.060 -20.708 12.251 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -13.827 -20.567 12.090 1.00 0.00 H new ATOM 845 N LEU A 61 -12.955 -20.586 6.214 1.00 0.00 N ATOM 846 CA LEU A 61 -12.860 -19.651 5.099 1.00 0.00 C ATOM 847 C LEU A 61 -12.889 -18.209 5.593 1.00 0.00 C ATOM 848 O LEU A 61 -13.781 -17.819 6.346 1.00 0.00 O ATOM 849 CB LEU A 61 -14.003 -19.888 4.110 1.00 0.00 C ATOM 850 CG LEU A 61 -13.699 -19.574 2.645 1.00 0.00 C ATOM 851 CD1 LEU A 61 -14.752 -20.192 1.737 1.00 0.00 C ATOM 852 CD2 LEU A 61 -13.621 -18.070 2.427 1.00 0.00 C ATOM 0 H LEU A 61 -13.775 -21.192 6.187 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.910 -19.822 4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -14.308 -20.932 4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -14.856 -19.285 4.420 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.731 -20.008 2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -14.519 -19.958 0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -14.760 -21.274 1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -15.732 -19.788 1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -13.404 -17.865 1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -14.573 -17.613 2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -12.830 -17.653 3.050 1.00 0.00 H new ATOM 864 N ALA A 62 -11.910 -17.421 5.162 1.00 0.00 N ATOM 865 CA ALA A 62 -11.826 -16.020 5.557 1.00 0.00 C ATOM 866 C ALA A 62 -12.788 -15.162 4.742 1.00 0.00 C ATOM 867 O ALA A 62 -13.532 -14.351 5.294 1.00 0.00 O ATOM 868 CB ALA A 62 -10.401 -15.512 5.401 1.00 0.00 C ATOM 0 H ALA A 62 -11.163 -17.729 4.539 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.113 -15.946 6.606 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.353 -14.465 5.699 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.734 -16.100 6.032 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.093 -15.607 4.360 1.00 0.00 H new ATOM 874 N VAL A 63 -12.767 -15.344 3.425 1.00 0.00 N ATOM 875 CA VAL A 63 -13.637 -14.586 2.534 1.00 0.00 C ATOM 876 C VAL A 63 -14.292 -15.496 1.501 1.00 0.00 C ATOM 877 O VAL A 63 -13.609 -16.150 0.714 1.00 0.00 O ATOM 878 CB VAL A 63 -12.862 -13.474 1.804 1.00 0.00 C ATOM 879 CG1 VAL A 63 -13.794 -12.672 0.909 1.00 0.00 C ATOM 880 CG2 VAL A 63 -12.161 -12.568 2.806 1.00 0.00 C ATOM 0 H VAL A 63 -12.157 -16.010 2.952 1.00 0.00 H new ATOM 0 HA VAL A 63 -14.408 -14.132 3.156 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.103 -13.938 1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -13.228 -11.891 0.401 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -14.245 -13.333 0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -14.578 -12.217 1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.618 -11.788 2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.901 -12.111 3.463 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.461 -13.156 3.400 1.00 0.00 H new ATOM 890 N ALA A 64 -15.620 -15.532 1.510 1.00 0.00 N ATOM 891 CA ALA A 64 -16.368 -16.360 0.572 1.00 0.00 C ATOM 892 C ALA A 64 -15.627 -16.495 -0.754 1.00 0.00 C ATOM 893 O ALA A 64 -14.965 -15.559 -1.203 1.00 0.00 O ATOM 894 CB ALA A 64 -17.756 -15.779 0.346 1.00 0.00 C ATOM 0 H ALA A 64 -16.200 -14.997 2.156 1.00 0.00 H new ATOM 0 HA ALA A 64 -16.468 -17.355 1.005 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -18.303 -16.407 -0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.293 -15.741 1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.667 -14.772 -0.061 1.00 0.00 H new ATOM 900 N ALA A 65 -15.741 -17.664 -1.374 1.00 0.00 N ATOM 901 CA ALA A 65 -15.082 -17.920 -2.649 1.00 0.00 C ATOM 902 C ALA A 65 -15.937 -18.817 -3.539 1.00 0.00 C ATOM 903 O ALA A 65 -17.006 -19.273 -3.132 1.00 0.00 O ATOM 904 CB ALA A 65 -13.716 -18.549 -2.420 1.00 0.00 C ATOM 0 H ALA A 65 -16.284 -18.449 -1.014 1.00 0.00 H new ATOM 0 HA ALA A 65 -14.950 -16.966 -3.159 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.235 -18.735 -3.380 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.098 -17.872 -1.830 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.834 -19.491 -1.885 1.00 0.00 H new ATOM 910 N ASP A 66 -15.460 -19.065 -4.753 1.00 0.00 N ATOM 911 CA ASP A 66 -16.180 -19.908 -5.700 1.00 0.00 C ATOM 912 C ASP A 66 -15.216 -20.800 -6.476 1.00 0.00 C ATOM 913 O ASP A 66 -13.999 -20.653 -6.371 1.00 0.00 O ATOM 914 CB ASP A 66 -16.989 -19.045 -6.671 1.00 0.00 C ATOM 915 CG ASP A 66 -16.276 -17.757 -7.033 1.00 0.00 C ATOM 916 OD1 ASP A 66 -15.039 -17.698 -6.871 1.00 0.00 O ATOM 917 OD2 ASP A 66 -16.955 -16.808 -7.477 1.00 0.00 O ATOM 0 H ASP A 66 -14.577 -18.694 -5.105 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.862 -20.545 -5.136 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.188 -19.614 -7.579 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -17.955 -18.809 -6.225 1.00 0.00 H new ATOM 922 N GLN A 67 -15.770 -21.726 -7.252 1.00 0.00 N ATOM 923 CA GLN A 67 -14.959 -22.643 -8.044 1.00 0.00 C ATOM 924 C GLN A 67 -14.027 -21.879 -8.978 1.00 0.00 C ATOM 925 O GLN A 67 -12.953 -22.364 -9.336 1.00 0.00 O ATOM 926 CB GLN A 67 -15.855 -23.581 -8.854 1.00 0.00 C ATOM 927 CG GLN A 67 -16.492 -22.919 -10.065 1.00 0.00 C ATOM 928 CD GLN A 67 -17.531 -21.882 -9.683 1.00 0.00 C ATOM 929 OE1 GLN A 67 -18.510 -22.189 -9.002 1.00 0.00 O ATOM 930 NE2 GLN A 67 -17.323 -20.646 -10.122 1.00 0.00 N ATOM 0 H GLN A 67 -16.776 -21.861 -7.349 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.352 -23.234 -7.359 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -15.266 -24.436 -9.186 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.642 -23.968 -8.206 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -15.716 -22.446 -10.666 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -16.958 -23.682 -10.689 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -16.498 -20.436 -10.684 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -17.988 -19.906 -9.897 1.00 0.00 H new ATOM 939 N THR A 68 -14.444 -20.679 -9.370 1.00 0.00 N ATOM 940 CA THR A 68 -13.647 -19.847 -10.264 1.00 0.00 C ATOM 941 C THR A 68 -12.484 -19.200 -9.521 1.00 0.00 C ATOM 942 O THR A 68 -11.630 -18.555 -10.129 1.00 0.00 O ATOM 943 CB THR A 68 -14.503 -18.745 -10.916 1.00 0.00 C ATOM 944 OG1 THR A 68 -13.714 -18.003 -11.853 1.00 0.00 O ATOM 945 CG2 THR A 68 -15.066 -17.803 -9.862 1.00 0.00 C ATOM 0 H THR A 68 -15.329 -20.261 -9.083 1.00 0.00 H new ATOM 0 HA THR A 68 -13.257 -20.502 -11.043 1.00 0.00 H new ATOM 0 HB THR A 68 -15.334 -19.221 -11.437 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.781 -17.985 -11.553 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.667 -17.033 -10.346 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.689 -18.366 -9.166 1.00 0.00 H new ATOM 0 HG23 THR A 68 -14.246 -17.334 -9.318 1.00 0.00 H new ATOM 953 N SER A 69 -12.456 -19.378 -8.204 1.00 0.00 N ATOM 954 CA SER A 69 -11.398 -18.808 -7.378 1.00 0.00 C ATOM 955 C SER A 69 -10.069 -19.512 -7.635 1.00 0.00 C ATOM 956 O SER A 69 -10.010 -20.739 -7.722 1.00 0.00 O ATOM 957 CB SER A 69 -11.766 -18.913 -5.897 1.00 0.00 C ATOM 958 OG SER A 69 -11.741 -20.261 -5.460 1.00 0.00 O ATOM 0 H SER A 69 -13.154 -19.912 -7.686 1.00 0.00 H new ATOM 0 HA SER A 69 -11.289 -17.757 -7.644 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.069 -18.322 -5.303 1.00 0.00 H new ATOM 0 HB3 SER A 69 -12.759 -18.493 -5.735 1.00 0.00 H new ATOM 0 HG SER A 69 -12.657 -20.605 -5.409 1.00 0.00 H new ATOM 964 N THR A 70 -9.004 -18.726 -7.756 1.00 0.00 N ATOM 965 CA THR A 70 -7.676 -19.273 -8.004 1.00 0.00 C ATOM 966 C THR A 70 -6.865 -19.355 -6.716 1.00 0.00 C ATOM 967 O THR A 70 -5.770 -19.916 -6.693 1.00 0.00 O ATOM 968 CB THR A 70 -6.902 -18.424 -9.031 1.00 0.00 C ATOM 969 OG1 THR A 70 -5.640 -19.035 -9.321 1.00 0.00 O ATOM 970 CG2 THR A 70 -6.679 -17.013 -8.508 1.00 0.00 C ATOM 0 H THR A 70 -9.035 -17.709 -7.686 1.00 0.00 H new ATOM 0 HA THR A 70 -7.818 -20.277 -8.405 1.00 0.00 H new ATOM 0 HB THR A 70 -7.496 -18.367 -9.943 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.383 -19.623 -8.580 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.131 -16.432 -9.250 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.642 -16.540 -8.316 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.104 -17.055 -7.583 1.00 0.00 H new ATOM 978 N THR A 71 -7.411 -18.791 -5.642 1.00 0.00 N ATOM 979 CA THR A 71 -6.738 -18.800 -4.349 1.00 0.00 C ATOM 980 C THR A 71 -7.730 -18.587 -3.212 1.00 0.00 C ATOM 981 O THR A 71 -8.442 -17.582 -3.176 1.00 0.00 O ATOM 982 CB THR A 71 -5.648 -17.715 -4.276 1.00 0.00 C ATOM 983 OG1 THR A 71 -4.715 -17.884 -5.348 1.00 0.00 O ATOM 984 CG2 THR A 71 -4.914 -17.774 -2.944 1.00 0.00 C ATOM 0 H THR A 71 -8.317 -18.323 -5.643 1.00 0.00 H new ATOM 0 HA THR A 71 -6.272 -19.779 -4.241 1.00 0.00 H new ATOM 0 HB THR A 71 -6.130 -16.741 -4.365 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.788 -18.794 -5.704 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.149 -16.998 -2.916 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.622 -17.615 -2.131 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.444 -18.751 -2.830 1.00 0.00 H new ATOM 992 N LEU A 72 -7.772 -19.536 -2.284 1.00 0.00 N ATOM 993 CA LEU A 72 -8.677 -19.451 -1.143 1.00 0.00 C ATOM 994 C LEU A 72 -7.948 -18.936 0.094 1.00 0.00 C ATOM 995 O LEU A 72 -6.863 -19.411 0.432 1.00 0.00 O ATOM 996 CB LEU A 72 -9.293 -20.821 -0.852 1.00 0.00 C ATOM 997 CG LEU A 72 -10.166 -21.413 -1.959 1.00 0.00 C ATOM 998 CD1 LEU A 72 -10.571 -22.837 -1.615 1.00 0.00 C ATOM 999 CD2 LEU A 72 -11.396 -20.547 -2.189 1.00 0.00 C ATOM 0 H LEU A 72 -7.190 -20.374 -2.299 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.471 -18.748 -1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.486 -21.522 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.894 -20.742 0.054 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.585 -21.435 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.192 -23.242 -2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.678 -23.452 -1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.134 -22.840 -0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.006 -20.984 -2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.979 -20.492 -1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.085 -19.544 -2.482 1.00 0.00 H new ATOM 1011 N THR A 73 -8.551 -17.962 0.768 1.00 0.00 N ATOM 1012 CA THR A 73 -7.960 -17.383 1.968 1.00 0.00 C ATOM 1013 C THR A 73 -8.708 -17.829 3.219 1.00 0.00 C ATOM 1014 O THR A 73 -9.723 -17.239 3.591 1.00 0.00 O ATOM 1015 CB THR A 73 -7.957 -15.844 1.906 1.00 0.00 C ATOM 1016 OG1 THR A 73 -7.281 -15.402 0.724 1.00 0.00 O ATOM 1017 CG2 THR A 73 -7.281 -15.254 3.134 1.00 0.00 C ATOM 0 H THR A 73 -9.449 -17.557 0.503 1.00 0.00 H new ATOM 0 HA THR A 73 -6.931 -17.739 2.017 1.00 0.00 H new ATOM 0 HB THR A 73 -8.992 -15.502 1.881 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.285 -14.423 0.692 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.291 -14.166 3.067 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.816 -15.568 4.030 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.250 -15.605 3.186 1.00 0.00 H new ATOM 1025 N PHE A 74 -8.200 -18.872 3.866 1.00 0.00 N ATOM 1026 CA PHE A 74 -8.821 -19.397 5.077 1.00 0.00 C ATOM 1027 C PHE A 74 -7.858 -19.322 6.258 1.00 0.00 C ATOM 1028 O PHE A 74 -6.640 -19.301 6.080 1.00 0.00 O ATOM 1029 CB PHE A 74 -9.268 -20.845 4.860 1.00 0.00 C ATOM 1030 CG PHE A 74 -8.128 -21.797 4.638 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -7.506 -21.878 3.402 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -7.678 -22.612 5.664 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -6.456 -22.753 3.195 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -6.629 -23.488 5.463 1.00 0.00 C ATOM 1035 CZ PHE A 74 -6.018 -23.560 4.226 1.00 0.00 C ATOM 0 H PHE A 74 -7.360 -19.371 3.572 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.694 -18.784 5.303 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.842 -21.174 5.727 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.937 -20.885 4.001 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.846 -21.250 2.591 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.153 -22.562 6.633 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.979 -22.805 2.228 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.287 -24.116 6.272 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.199 -24.246 4.066 1.00 0.00 H new ATOM 1045 N TYR A 75 -8.414 -19.281 7.464 1.00 0.00 N ATOM 1046 CA TYR A 75 -7.606 -19.206 8.675 1.00 0.00 C ATOM 1047 C TYR A 75 -6.826 -20.499 8.892 1.00 0.00 C ATOM 1048 O TYR A 75 -7.016 -21.481 8.174 1.00 0.00 O ATOM 1049 CB TYR A 75 -8.493 -18.922 9.889 1.00 0.00 C ATOM 1050 CG TYR A 75 -8.685 -17.448 10.167 1.00 0.00 C ATOM 1051 CD1 TYR A 75 -7.804 -16.756 10.989 1.00 0.00 C ATOM 1052 CD2 TYR A 75 -9.747 -16.748 9.609 1.00 0.00 C ATOM 1053 CE1 TYR A 75 -7.975 -15.410 11.247 1.00 0.00 C ATOM 1054 CE2 TYR A 75 -9.926 -15.401 9.861 1.00 0.00 C ATOM 1055 CZ TYR A 75 -9.037 -14.737 10.680 1.00 0.00 C ATOM 1056 OH TYR A 75 -9.212 -13.396 10.934 1.00 0.00 O ATOM 0 H TYR A 75 -9.420 -19.298 7.629 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.894 -18.390 8.555 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -9.468 -19.384 9.732 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.054 -19.395 10.768 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -6.971 -17.280 11.434 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -10.445 -17.265 8.967 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.281 -14.888 11.889 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -10.757 -14.871 9.419 1.00 0.00 H new ATOM 0 HH TYR A 75 -10.006 -13.074 10.458 1.00 0.00 H new ATOM 1066 N LYS A 76 -5.949 -20.493 9.890 1.00 0.00 N ATOM 1067 CA LYS A 76 -5.141 -21.665 10.206 1.00 0.00 C ATOM 1068 C LYS A 76 -5.470 -22.193 11.599 1.00 0.00 C ATOM 1069 O LYS A 76 -5.580 -23.402 11.804 1.00 0.00 O ATOM 1070 CB LYS A 76 -3.652 -21.322 10.118 1.00 0.00 C ATOM 1071 CG LYS A 76 -3.215 -20.252 11.104 1.00 0.00 C ATOM 1072 CD LYS A 76 -2.746 -20.860 12.415 1.00 0.00 C ATOM 1073 CE LYS A 76 -1.252 -21.145 12.394 1.00 0.00 C ATOM 1074 NZ LYS A 76 -0.458 -19.978 12.869 1.00 0.00 N ATOM 0 H LYS A 76 -5.780 -19.689 10.494 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.373 -22.442 9.478 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.069 -22.226 10.293 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.424 -20.987 9.106 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.410 -19.661 10.668 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.044 -19.571 11.294 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.976 -20.180 13.236 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.291 -21.785 12.604 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.038 -22.010 13.022 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.946 -21.404 11.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.555 -20.212 12.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.642 -19.160 12.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.732 -19.746 13.845 1.00 0.00 H new ATOM 1088 N SER A 77 -5.626 -21.280 12.552 1.00 0.00 N ATOM 1089 CA SER A 77 -5.941 -21.655 13.925 1.00 0.00 C ATOM 1090 C SER A 77 -6.514 -20.468 14.694 1.00 0.00 C ATOM 1091 O SER A 77 -6.630 -19.366 14.161 1.00 0.00 O ATOM 1092 CB SER A 77 -4.689 -22.179 14.632 1.00 0.00 C ATOM 1093 OG SER A 77 -4.324 -23.457 14.142 1.00 0.00 O ATOM 0 H SER A 77 -5.539 -20.275 12.398 1.00 0.00 H new ATOM 0 HA SER A 77 -6.692 -22.445 13.898 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.865 -21.481 14.485 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.871 -22.236 15.705 1.00 0.00 H new ATOM 0 HG SER A 77 -4.951 -23.729 13.440 1.00 0.00 H new ATOM 1099 N GLY A 78 -6.871 -20.704 15.953 1.00 0.00 N ATOM 1100 CA GLY A 78 -7.428 -19.647 16.777 1.00 0.00 C ATOM 1101 C GLY A 78 -8.854 -19.934 17.203 1.00 0.00 C ATOM 1102 O GLY A 78 -9.501 -20.836 16.669 1.00 0.00 O ATOM 0 H GLY A 78 -6.784 -21.608 16.417 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.807 -19.516 17.663 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.399 -18.707 16.226 1.00 0.00 H new ATOM 1106 N THR A 79 -9.347 -19.168 18.171 1.00 0.00 N ATOM 1107 CA THR A 79 -10.704 -19.346 18.672 1.00 0.00 C ATOM 1108 C THR A 79 -11.721 -18.676 17.755 1.00 0.00 C ATOM 1109 O THR A 79 -11.588 -17.499 17.420 1.00 0.00 O ATOM 1110 CB THR A 79 -10.858 -18.776 20.094 1.00 0.00 C ATOM 1111 OG1 THR A 79 -9.824 -19.289 20.942 1.00 0.00 O ATOM 1112 CG2 THR A 79 -12.219 -19.129 20.675 1.00 0.00 C ATOM 0 H THR A 79 -8.826 -18.417 18.624 1.00 0.00 H new ATOM 0 HA THR A 79 -10.893 -20.419 18.697 1.00 0.00 H new ATOM 0 HB THR A 79 -10.776 -17.691 20.037 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.928 -18.920 21.844 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.304 -18.715 21.680 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.003 -18.712 20.043 1.00 0.00 H new ATOM 0 HG23 THR A 79 -12.326 -20.213 20.718 1.00 0.00 H new ATOM 1120 N PHE A 80 -12.737 -19.432 17.353 1.00 0.00 N ATOM 1121 CA PHE A 80 -13.777 -18.911 16.474 1.00 0.00 C ATOM 1122 C PHE A 80 -15.161 -19.132 17.078 1.00 0.00 C ATOM 1123 O PHE A 80 -15.378 -20.087 17.825 1.00 0.00 O ATOM 1124 CB PHE A 80 -13.695 -19.578 15.100 1.00 0.00 C ATOM 1125 CG PHE A 80 -12.461 -19.210 14.327 1.00 0.00 C ATOM 1126 CD1 PHE A 80 -11.261 -19.862 14.562 1.00 0.00 C ATOM 1127 CD2 PHE A 80 -12.501 -18.212 13.367 1.00 0.00 C ATOM 1128 CE1 PHE A 80 -10.123 -19.525 13.852 1.00 0.00 C ATOM 1129 CE2 PHE A 80 -11.367 -17.872 12.654 1.00 0.00 C ATOM 1130 CZ PHE A 80 -10.176 -18.528 12.898 1.00 0.00 C ATOM 0 H PHE A 80 -12.862 -20.408 17.622 1.00 0.00 H new ATOM 0 HA PHE A 80 -13.617 -17.839 16.359 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.724 -20.660 15.228 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.574 -19.302 14.518 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -11.214 -20.642 15.308 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -13.429 -17.694 13.174 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -9.194 -20.041 14.043 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -11.412 -17.094 11.906 1.00 0.00 H new ATOM 0 HZ PHE A 80 -9.288 -18.262 12.344 1.00 0.00 H new ATOM 1140 N ARG A 81 -16.093 -18.244 16.749 1.00 0.00 N ATOM 1141 CA ARG A 81 -17.455 -18.340 17.260 1.00 0.00 C ATOM 1142 C ARG A 81 -18.277 -19.325 16.433 1.00 0.00 C ATOM 1143 O ARG A 81 -18.465 -19.136 15.231 1.00 0.00 O ATOM 1144 CB ARG A 81 -18.125 -16.965 17.250 1.00 0.00 C ATOM 1145 CG ARG A 81 -17.831 -16.135 18.488 1.00 0.00 C ATOM 1146 CD ARG A 81 -16.499 -15.411 18.371 1.00 0.00 C ATOM 1147 NE ARG A 81 -16.620 -14.159 17.630 1.00 0.00 N ATOM 1148 CZ ARG A 81 -15.712 -13.190 17.669 1.00 0.00 C ATOM 1149 NH1 ARG A 81 -14.621 -13.330 18.410 1.00 0.00 N ATOM 1150 NH2 ARG A 81 -15.893 -12.080 16.967 1.00 0.00 N ATOM 0 H ARG A 81 -15.930 -17.449 16.131 1.00 0.00 H new ATOM 0 HA ARG A 81 -17.407 -18.705 18.286 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.795 -16.416 16.368 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -19.203 -17.096 17.159 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -18.629 -15.408 18.638 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -17.819 -16.781 19.366 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.109 -15.206 19.368 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -15.777 -16.058 17.873 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.448 -14.021 17.050 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -14.478 -14.183 18.951 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -13.925 -12.585 18.439 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.731 -11.969 16.396 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -15.195 -11.337 16.998 1.00 0.00 H new ATOM 1164 N TYR A 82 -18.762 -20.376 17.085 1.00 0.00 N ATOM 1165 CA TYR A 82 -19.561 -21.391 16.410 1.00 0.00 C ATOM 1166 C TYR A 82 -20.956 -20.863 16.088 1.00 0.00 C ATOM 1167 O TYR A 82 -21.571 -21.265 15.102 1.00 0.00 O ATOM 1168 CB TYR A 82 -19.667 -22.647 17.278 1.00 0.00 C ATOM 1169 CG TYR A 82 -20.799 -23.566 16.878 1.00 0.00 C ATOM 1170 CD1 TYR A 82 -22.121 -23.230 17.146 1.00 0.00 C ATOM 1171 CD2 TYR A 82 -20.547 -24.769 16.230 1.00 0.00 C ATOM 1172 CE1 TYR A 82 -23.158 -24.067 16.783 1.00 0.00 C ATOM 1173 CE2 TYR A 82 -21.578 -25.612 15.862 1.00 0.00 C ATOM 1174 CZ TYR A 82 -22.882 -25.257 16.141 1.00 0.00 C ATOM 1175 OH TYR A 82 -23.912 -26.092 15.776 1.00 0.00 O ATOM 0 H TYR A 82 -18.616 -20.547 18.080 1.00 0.00 H new ATOM 0 HA TYR A 82 -19.064 -21.644 15.474 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -18.727 -23.197 17.223 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -19.802 -22.349 18.318 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -22.341 -22.299 17.647 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -19.528 -25.050 16.010 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -24.179 -23.792 17.000 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -21.365 -26.543 15.359 1.00 0.00 H new ATOM 0 HH TYR A 82 -24.714 -25.560 15.589 1.00 0.00 H new ATOM 1185 N GLU A 83 -21.447 -19.958 16.929 1.00 0.00 N ATOM 1186 CA GLU A 83 -22.769 -19.374 16.735 1.00 0.00 C ATOM 1187 C GLU A 83 -22.852 -18.648 15.395 1.00 0.00 C ATOM 1188 O GLU A 83 -23.933 -18.491 14.828 1.00 0.00 O ATOM 1189 CB GLU A 83 -23.095 -18.405 17.873 1.00 0.00 C ATOM 1190 CG GLU A 83 -22.593 -18.868 19.230 1.00 0.00 C ATOM 1191 CD GLU A 83 -23.438 -18.345 20.375 1.00 0.00 C ATOM 1192 OE1 GLU A 83 -23.365 -17.131 20.659 1.00 0.00 O ATOM 1193 OE2 GLU A 83 -24.172 -19.149 20.987 1.00 0.00 O ATOM 0 H GLU A 83 -20.950 -19.614 17.750 1.00 0.00 H new ATOM 0 HA GLU A 83 -23.499 -20.183 16.736 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -22.659 -17.432 17.646 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -24.175 -18.266 17.923 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -22.585 -19.958 19.258 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -21.563 -18.538 19.364 1.00 0.00 H new ATOM 1200 N ASP A 84 -21.702 -18.207 14.896 1.00 0.00 N ATOM 1201 CA ASP A 84 -21.643 -17.499 13.623 1.00 0.00 C ATOM 1202 C ASP A 84 -21.259 -18.446 12.491 1.00 0.00 C ATOM 1203 O ASP A 84 -21.911 -18.479 11.447 1.00 0.00 O ATOM 1204 CB ASP A 84 -20.641 -16.346 13.703 1.00 0.00 C ATOM 1205 CG ASP A 84 -20.703 -15.440 12.488 1.00 0.00 C ATOM 1206 OD1 ASP A 84 -21.824 -15.086 12.069 1.00 0.00 O ATOM 1207 OD2 ASP A 84 -19.629 -15.086 11.957 1.00 0.00 O ATOM 0 H ASP A 84 -20.799 -18.328 15.354 1.00 0.00 H new ATOM 0 HA ASP A 84 -22.634 -17.096 13.413 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -20.837 -15.759 14.600 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -19.633 -16.750 13.800 1.00 0.00 H new ATOM 1212 N VAL A 85 -20.195 -19.214 12.704 1.00 0.00 N ATOM 1213 CA VAL A 85 -19.724 -20.162 11.702 1.00 0.00 C ATOM 1214 C VAL A 85 -20.887 -20.921 11.073 1.00 0.00 C ATOM 1215 O VAL A 85 -21.616 -21.640 11.757 1.00 0.00 O ATOM 1216 CB VAL A 85 -18.733 -21.174 12.309 1.00 0.00 C ATOM 1217 CG1 VAL A 85 -18.422 -22.280 11.312 1.00 0.00 C ATOM 1218 CG2 VAL A 85 -17.460 -20.471 12.753 1.00 0.00 C ATOM 0 H VAL A 85 -19.643 -19.198 13.562 1.00 0.00 H new ATOM 0 HA VAL A 85 -19.214 -19.582 10.933 1.00 0.00 H new ATOM 0 HB VAL A 85 -19.195 -21.628 13.186 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -17.721 -22.985 11.758 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -19.342 -22.801 11.048 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -17.980 -21.847 10.415 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.771 -21.200 13.179 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -16.992 -19.989 11.895 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -17.703 -19.719 13.504 1.00 0.00 H new ATOM 1228 N LEU A 86 -21.054 -20.757 9.765 1.00 0.00 N ATOM 1229 CA LEU A 86 -22.129 -21.427 9.042 1.00 0.00 C ATOM 1230 C LEU A 86 -21.761 -22.876 8.739 1.00 0.00 C ATOM 1231 O LEU A 86 -21.159 -23.172 7.707 1.00 0.00 O ATOM 1232 CB LEU A 86 -22.435 -20.684 7.740 1.00 0.00 C ATOM 1233 CG LEU A 86 -23.492 -19.584 7.828 1.00 0.00 C ATOM 1234 CD1 LEU A 86 -23.375 -18.635 6.645 1.00 0.00 C ATOM 1235 CD2 LEU A 86 -24.887 -20.188 7.892 1.00 0.00 C ATOM 0 H LEU A 86 -20.459 -20.166 9.184 1.00 0.00 H new ATOM 0 HA LEU A 86 -23.017 -21.421 9.674 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -21.509 -20.242 7.371 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -22.759 -21.413 6.997 1.00 0.00 H new ATOM 0 HG LEU A 86 -23.321 -19.016 8.742 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -24.136 -17.858 6.725 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -22.386 -18.176 6.643 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -23.519 -19.190 5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -25.627 -19.390 7.954 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -25.068 -20.781 6.996 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -24.967 -20.826 8.772 1.00 0.00 H new ATOM 1247 N TRP A 87 -22.130 -23.776 9.644 1.00 0.00 N ATOM 1248 CA TRP A 87 -21.840 -25.195 9.473 1.00 0.00 C ATOM 1249 C TRP A 87 -22.822 -25.837 8.499 1.00 0.00 C ATOM 1250 O TRP A 87 -23.979 -25.430 8.388 1.00 0.00 O ATOM 1251 CB TRP A 87 -21.896 -25.914 10.822 1.00 0.00 C ATOM 1252 CG TRP A 87 -21.137 -25.208 11.904 1.00 0.00 C ATOM 1253 CD1 TRP A 87 -21.586 -24.181 12.684 1.00 0.00 C ATOM 1254 CD2 TRP A 87 -19.794 -25.475 12.323 1.00 0.00 C ATOM 1255 NE1 TRP A 87 -20.604 -23.794 13.563 1.00 0.00 N ATOM 1256 CE2 TRP A 87 -19.495 -24.573 13.363 1.00 0.00 C ATOM 1257 CE3 TRP A 87 -18.817 -26.391 11.923 1.00 0.00 C ATOM 1258 CZ2 TRP A 87 -18.259 -24.560 14.004 1.00 0.00 C ATOM 1259 CZ3 TRP A 87 -17.591 -26.377 12.561 1.00 0.00 C ATOM 1260 CH2 TRP A 87 -17.321 -25.467 13.592 1.00 0.00 C ATOM 0 H TRP A 87 -22.630 -23.548 10.503 1.00 0.00 H new ATOM 0 HA TRP A 87 -20.835 -25.289 9.061 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -22.937 -26.018 11.127 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -21.496 -26.921 10.706 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -22.569 -23.738 12.619 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -20.687 -23.047 14.253 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -19.016 -27.097 11.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -18.048 -23.859 14.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -16.828 -27.079 12.260 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -16.353 -25.482 14.071 1.00 0.00 H new ATOM 1271 N PRO A 88 -22.354 -26.866 7.777 1.00 0.00 N ATOM 1272 CA PRO A 88 -23.176 -27.586 6.800 1.00 0.00 C ATOM 1273 C PRO A 88 -24.266 -28.421 7.463 1.00 0.00 C ATOM 1274 O PRO A 88 -24.026 -29.078 8.476 1.00 0.00 O ATOM 1275 CB PRO A 88 -22.168 -28.491 6.087 1.00 0.00 C ATOM 1276 CG PRO A 88 -21.069 -28.685 7.074 1.00 0.00 C ATOM 1277 CD PRO A 88 -20.986 -27.405 7.858 1.00 0.00 C ATOM 0 HA PRO A 88 -23.706 -26.906 6.133 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -22.620 -29.442 5.806 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -21.800 -28.029 5.171 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.278 -29.531 7.729 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.125 -28.896 6.571 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.685 -27.585 8.890 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.257 -26.717 7.429 1.00 0.00 H new ATOM 1285 N GLU A 89 -25.463 -28.391 6.885 1.00 0.00 N ATOM 1286 CA GLU A 89 -26.589 -29.145 7.422 1.00 0.00 C ATOM 1287 C GLU A 89 -26.252 -30.630 7.520 1.00 0.00 C ATOM 1288 O GLU A 89 -26.669 -31.312 8.455 1.00 0.00 O ATOM 1289 CB GLU A 89 -27.827 -28.949 6.545 1.00 0.00 C ATOM 1290 CG GLU A 89 -27.628 -29.387 5.104 1.00 0.00 C ATOM 1291 CD GLU A 89 -28.687 -28.829 4.173 1.00 0.00 C ATOM 1292 OE1 GLU A 89 -29.770 -29.441 4.071 1.00 0.00 O ATOM 1293 OE2 GLU A 89 -28.431 -27.779 3.547 1.00 0.00 O ATOM 0 H GLU A 89 -25.677 -27.853 6.045 1.00 0.00 H new ATOM 0 HA GLU A 89 -26.799 -28.771 8.424 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -28.658 -29.508 6.974 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -28.110 -27.896 6.560 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -26.644 -29.065 4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -27.643 -30.476 5.054 1.00 0.00 H new ATOM 1300 N ALA A 90 -25.494 -31.124 6.546 1.00 0.00 N ATOM 1301 CA ALA A 90 -25.099 -32.527 6.522 1.00 0.00 C ATOM 1302 C ALA A 90 -24.886 -33.062 7.934 1.00 0.00 C ATOM 1303 O ALA A 90 -25.291 -34.180 8.253 1.00 0.00 O ATOM 1304 CB ALA A 90 -23.837 -32.706 5.692 1.00 0.00 C ATOM 0 H ALA A 90 -25.141 -30.573 5.763 1.00 0.00 H new ATOM 0 HA ALA A 90 -25.906 -33.098 6.063 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -23.554 -33.759 5.683 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -24.022 -32.371 4.671 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -23.029 -32.117 6.126 1.00 0.00 H new ATOM 1310 N ALA A 91 -24.248 -32.256 8.777 1.00 0.00 N ATOM 1311 CA ALA A 91 -23.983 -32.648 10.156 1.00 0.00 C ATOM 1312 C ALA A 91 -25.272 -32.701 10.969 1.00 0.00 C ATOM 1313 O ALA A 91 -25.996 -31.710 11.067 1.00 0.00 O ATOM 1314 CB ALA A 91 -22.991 -31.688 10.796 1.00 0.00 C ATOM 0 H ALA A 91 -23.905 -31.328 8.529 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.549 -33.648 10.147 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.802 -31.993 11.825 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -22.056 -31.704 10.236 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -23.403 -30.679 10.786 1.00 0.00 H new ATOM 1320 N SER A 92 -25.552 -33.863 11.550 1.00 0.00 N ATOM 1321 CA SER A 92 -26.756 -34.045 12.352 1.00 0.00 C ATOM 1322 C SER A 92 -26.457 -33.851 13.835 1.00 0.00 C ATOM 1323 O SER A 92 -27.264 -33.287 14.574 1.00 0.00 O ATOM 1324 CB SER A 92 -27.344 -35.438 12.117 1.00 0.00 C ATOM 1325 OG SER A 92 -28.244 -35.435 11.022 1.00 0.00 O ATOM 0 H SER A 92 -24.962 -34.692 11.480 1.00 0.00 H new ATOM 0 HA SER A 92 -27.484 -33.294 12.045 1.00 0.00 H new ATOM 0 HB2 SER A 92 -26.539 -36.148 11.928 1.00 0.00 H new ATOM 0 HB3 SER A 92 -27.861 -35.774 13.016 1.00 0.00 H new ATOM 0 HG SER A 92 -28.604 -36.337 10.892 1.00 0.00 H new ATOM 1331 N ASP A 93 -25.291 -34.321 14.263 1.00 0.00 N ATOM 1332 CA ASP A 93 -24.882 -34.199 15.657 1.00 0.00 C ATOM 1333 C ASP A 93 -24.126 -32.894 15.889 1.00 0.00 C ATOM 1334 O ASP A 93 -23.298 -32.492 15.073 1.00 0.00 O ATOM 1335 CB ASP A 93 -24.008 -35.387 16.061 1.00 0.00 C ATOM 1336 CG ASP A 93 -23.814 -35.479 17.562 1.00 0.00 C ATOM 1337 OD1 ASP A 93 -24.638 -34.904 18.303 1.00 0.00 O ATOM 1338 OD2 ASP A 93 -22.837 -36.126 17.996 1.00 0.00 O ATOM 0 H ASP A 93 -24.612 -34.790 13.664 1.00 0.00 H new ATOM 0 HA ASP A 93 -25.781 -34.193 16.274 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -24.463 -36.309 15.699 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -23.035 -35.300 15.576 1.00 0.00 H new ATOM 1343 N GLU A 94 -24.419 -32.237 17.008 1.00 0.00 N ATOM 1344 CA GLU A 94 -23.768 -30.977 17.345 1.00 0.00 C ATOM 1345 C GLU A 94 -22.315 -31.207 17.750 1.00 0.00 C ATOM 1346 O GLU A 94 -21.494 -30.289 17.711 1.00 0.00 O ATOM 1347 CB GLU A 94 -24.520 -30.277 18.479 1.00 0.00 C ATOM 1348 CG GLU A 94 -24.377 -30.969 19.824 1.00 0.00 C ATOM 1349 CD GLU A 94 -25.187 -30.298 20.915 1.00 0.00 C ATOM 1350 OE1 GLU A 94 -26.225 -29.684 20.590 1.00 0.00 O ATOM 1351 OE2 GLU A 94 -24.784 -30.386 22.094 1.00 0.00 O ATOM 0 H GLU A 94 -25.102 -32.557 17.695 1.00 0.00 H new ATOM 0 HA GLU A 94 -23.784 -30.341 16.460 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -24.157 -29.253 18.567 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -25.577 -30.219 18.221 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -24.693 -32.008 19.729 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -23.326 -30.981 20.112 1.00 0.00 H new ATOM 1358 N THR A 95 -22.002 -32.439 18.140 1.00 0.00 N ATOM 1359 CA THR A 95 -20.650 -32.790 18.554 1.00 0.00 C ATOM 1360 C THR A 95 -19.784 -33.153 17.353 1.00 0.00 C ATOM 1361 O THR A 95 -18.557 -33.068 17.410 1.00 0.00 O ATOM 1362 CB THR A 95 -20.654 -33.969 19.545 1.00 0.00 C ATOM 1363 OG1 THR A 95 -21.435 -33.638 20.698 1.00 0.00 O ATOM 1364 CG2 THR A 95 -19.237 -34.323 19.971 1.00 0.00 C ATOM 0 H THR A 95 -22.668 -33.211 18.178 1.00 0.00 H new ATOM 0 HA THR A 95 -20.233 -31.912 19.047 1.00 0.00 H new ATOM 0 HB THR A 95 -21.093 -34.833 19.045 1.00 0.00 H new ATOM 0 HG1 THR A 95 -21.434 -34.394 21.322 1.00 0.00 H new ATOM 0 HG21 THR A 95 -19.265 -35.158 20.671 1.00 0.00 H new ATOM 0 HG22 THR A 95 -18.653 -34.604 19.095 1.00 0.00 H new ATOM 0 HG23 THR A 95 -18.776 -33.461 20.453 1.00 0.00 H new ATOM 1372 N LYS A 96 -20.430 -33.556 16.264 1.00 0.00 N ATOM 1373 CA LYS A 96 -19.720 -33.931 15.047 1.00 0.00 C ATOM 1374 C LYS A 96 -19.011 -32.725 14.438 1.00 0.00 C ATOM 1375 O LYS A 96 -17.803 -32.755 14.203 1.00 0.00 O ATOM 1376 CB LYS A 96 -20.692 -34.532 14.030 1.00 0.00 C ATOM 1377 CG LYS A 96 -20.806 -36.044 14.117 1.00 0.00 C ATOM 1378 CD LYS A 96 -19.810 -36.733 13.198 1.00 0.00 C ATOM 1379 CE LYS A 96 -18.498 -37.019 13.912 1.00 0.00 C ATOM 1380 NZ LYS A 96 -18.692 -37.900 15.097 1.00 0.00 N ATOM 0 H LYS A 96 -21.445 -33.631 16.199 1.00 0.00 H new ATOM 0 HA LYS A 96 -18.970 -34.678 15.308 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -21.678 -34.093 14.179 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -20.369 -34.258 13.026 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -20.635 -36.364 15.145 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -21.818 -36.349 13.852 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -20.237 -37.667 12.832 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -19.622 -36.105 12.327 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -17.802 -37.491 13.218 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -18.044 -36.080 14.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -17.836 -38.471 15.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -18.873 -37.316 15.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -19.503 -38.530 14.932 1.00 0.00 H new ATOM 1394 N LYS A 97 -19.770 -31.664 14.186 1.00 0.00 N ATOM 1395 CA LYS A 97 -19.215 -30.446 13.607 1.00 0.00 C ATOM 1396 C LYS A 97 -18.344 -29.710 14.619 1.00 0.00 C ATOM 1397 O LYS A 97 -17.309 -29.144 14.266 1.00 0.00 O ATOM 1398 CB LYS A 97 -20.340 -29.528 13.123 1.00 0.00 C ATOM 1399 CG LYS A 97 -21.333 -29.157 14.212 1.00 0.00 C ATOM 1400 CD LYS A 97 -22.507 -28.373 13.652 1.00 0.00 C ATOM 1401 CE LYS A 97 -23.568 -29.296 13.072 1.00 0.00 C ATOM 1402 NZ LYS A 97 -24.561 -29.714 14.100 1.00 0.00 N ATOM 0 H LYS A 97 -20.772 -31.623 14.374 1.00 0.00 H new ATOM 0 HA LYS A 97 -18.594 -30.728 12.757 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -19.904 -28.616 12.715 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -20.873 -30.019 12.309 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -21.697 -30.062 14.697 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -20.831 -28.565 14.977 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -22.947 -27.762 14.440 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -22.154 -27.691 12.878 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -24.082 -28.790 12.255 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -23.089 -30.179 12.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -25.517 -29.686 13.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -24.348 -30.682 14.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -24.513 -29.067 14.913 1.00 0.00 H new ATOM 1416 N ARG A 98 -18.768 -29.723 15.879 1.00 0.00 N ATOM 1417 CA ARG A 98 -18.026 -29.057 16.942 1.00 0.00 C ATOM 1418 C ARG A 98 -16.642 -29.677 17.109 1.00 0.00 C ATOM 1419 O ARG A 98 -15.731 -29.052 17.655 1.00 0.00 O ATOM 1420 CB ARG A 98 -18.797 -29.141 18.261 1.00 0.00 C ATOM 1421 CG ARG A 98 -19.988 -28.200 18.331 1.00 0.00 C ATOM 1422 CD ARG A 98 -19.568 -26.801 18.756 1.00 0.00 C ATOM 1423 NE ARG A 98 -19.511 -26.664 20.209 1.00 0.00 N ATOM 1424 CZ ARG A 98 -20.585 -26.517 20.976 1.00 0.00 C ATOM 1425 NH1 ARG A 98 -21.794 -26.487 20.431 1.00 0.00 N ATOM 1426 NH2 ARG A 98 -20.452 -26.398 22.291 1.00 0.00 N ATOM 0 H ARG A 98 -19.622 -30.188 16.188 1.00 0.00 H new ATOM 0 HA ARG A 98 -17.905 -28.010 16.666 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -19.144 -30.164 18.405 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -18.118 -28.916 19.084 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -20.475 -28.155 17.357 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -20.721 -28.591 19.036 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -18.591 -26.571 18.332 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -20.270 -26.073 18.351 1.00 0.00 H new ATOM 0 HE ARG A 98 -18.596 -26.682 20.659 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -21.900 -26.577 19.421 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -22.617 -26.374 21.022 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -19.524 -26.419 22.714 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -21.278 -26.285 22.879 1.00 0.00 H new ATOM 1440 N THR A 99 -16.490 -30.910 16.637 1.00 0.00 N ATOM 1441 CA THR A 99 -15.218 -31.615 16.735 1.00 0.00 C ATOM 1442 C THR A 99 -14.669 -31.953 15.354 1.00 0.00 C ATOM 1443 O THR A 99 -13.697 -32.698 15.227 1.00 0.00 O ATOM 1444 CB THR A 99 -15.357 -32.913 17.552 1.00 0.00 C ATOM 1445 OG1 THR A 99 -16.346 -32.745 18.574 1.00 0.00 O ATOM 1446 CG2 THR A 99 -14.028 -33.300 18.183 1.00 0.00 C ATOM 0 H THR A 99 -17.233 -31.442 16.183 1.00 0.00 H new ATOM 0 HA THR A 99 -14.524 -30.946 17.245 1.00 0.00 H new ATOM 0 HB THR A 99 -15.666 -33.711 16.876 1.00 0.00 H new ATOM 0 HG1 THR A 99 -17.240 -32.841 18.183 1.00 0.00 H new ATOM 0 HG21 THR A 99 -14.151 -34.220 18.755 1.00 0.00 H new ATOM 0 HG22 THR A 99 -13.285 -33.456 17.400 1.00 0.00 H new ATOM 0 HG23 THR A 99 -13.694 -32.502 18.846 1.00 0.00 H new ATOM 1454 N ALA A 100 -15.297 -31.401 14.321 1.00 0.00 N ATOM 1455 CA ALA A 100 -14.868 -31.642 12.949 1.00 0.00 C ATOM 1456 C ALA A 100 -13.423 -31.203 12.739 1.00 0.00 C ATOM 1457 O ALA A 100 -12.771 -31.615 11.780 1.00 0.00 O ATOM 1458 CB ALA A 100 -15.788 -30.922 11.974 1.00 0.00 C ATOM 0 H ALA A 100 -16.104 -30.784 14.408 1.00 0.00 H new ATOM 0 HA ALA A 100 -14.924 -32.714 12.761 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -15.456 -31.111 10.953 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -16.807 -31.288 12.097 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -15.761 -29.850 12.172 1.00 0.00 H new ATOM 1464 N PHE A 101 -12.928 -30.363 13.642 1.00 0.00 N ATOM 1465 CA PHE A 101 -11.560 -29.865 13.555 1.00 0.00 C ATOM 1466 C PHE A 101 -10.604 -30.766 14.331 1.00 0.00 C ATOM 1467 O PHE A 101 -9.499 -30.356 14.686 1.00 0.00 O ATOM 1468 CB PHE A 101 -11.480 -28.435 14.092 1.00 0.00 C ATOM 1469 CG PHE A 101 -12.010 -27.405 13.136 1.00 0.00 C ATOM 1470 CD1 PHE A 101 -11.229 -26.948 12.086 1.00 0.00 C ATOM 1471 CD2 PHE A 101 -13.288 -26.893 13.287 1.00 0.00 C ATOM 1472 CE1 PHE A 101 -11.713 -26.001 11.204 1.00 0.00 C ATOM 1473 CE2 PHE A 101 -13.778 -25.945 12.407 1.00 0.00 C ATOM 1474 CZ PHE A 101 -12.989 -25.498 11.365 1.00 0.00 C ATOM 0 H PHE A 101 -13.454 -30.013 14.443 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.264 -29.868 12.506 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -12.039 -28.374 15.026 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.442 -28.201 14.327 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.230 -27.337 11.956 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -13.909 -27.238 14.101 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -11.094 -25.655 10.390 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -14.777 -25.555 12.534 1.00 0.00 H new ATOM 0 HZ PHE A 101 -13.369 -24.757 10.678 1.00 0.00 H new ATOM 1484 N ALA A 102 -11.037 -31.995 14.590 1.00 0.00 N ATOM 1485 CA ALA A 102 -10.220 -32.955 15.322 1.00 0.00 C ATOM 1486 C ALA A 102 -8.879 -33.174 14.630 1.00 0.00 C ATOM 1487 O ALA A 102 -8.825 -33.637 13.492 1.00 0.00 O ATOM 1488 CB ALA A 102 -10.962 -34.275 15.470 1.00 0.00 C ATOM 0 H ALA A 102 -11.949 -32.350 14.304 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.025 -32.548 16.314 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.340 -34.982 16.019 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -11.892 -34.111 16.015 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.187 -34.679 14.483 1.00 0.00 H new ATOM 1494 N GLY A 103 -7.797 -32.837 15.326 1.00 0.00 N ATOM 1495 CA GLY A 103 -6.470 -33.004 14.762 1.00 0.00 C ATOM 1496 C GLY A 103 -5.767 -31.680 14.534 1.00 0.00 C ATOM 1497 O GLY A 103 -4.537 -31.618 14.507 1.00 0.00 O ATOM 0 H GLY A 103 -7.816 -32.451 16.270 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -5.869 -33.621 15.431 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.545 -33.540 13.816 1.00 0.00 H new ATOM 1501 N THR A 104 -6.548 -30.618 14.368 1.00 0.00 N ATOM 1502 CA THR A 104 -5.993 -29.290 14.138 1.00 0.00 C ATOM 1503 C THR A 104 -5.914 -28.495 15.436 1.00 0.00 C ATOM 1504 O THR A 104 -6.557 -28.840 16.427 1.00 0.00 O ATOM 1505 CB THR A 104 -6.832 -28.500 13.116 1.00 0.00 C ATOM 1506 OG1 THR A 104 -8.151 -28.280 13.629 1.00 0.00 O ATOM 1507 CG2 THR A 104 -6.915 -29.245 11.792 1.00 0.00 C ATOM 0 H THR A 104 -7.567 -30.651 14.389 1.00 0.00 H new ATOM 0 HA THR A 104 -4.988 -29.432 13.740 1.00 0.00 H new ATOM 0 HB THR A 104 -6.345 -27.540 12.945 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.607 -29.140 13.739 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.512 -28.668 11.086 1.00 0.00 H new ATOM 0 HG22 THR A 104 -5.912 -29.384 11.389 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.380 -30.218 11.950 1.00 0.00 H new ATOM 1515 N ALA A 105 -5.123 -27.427 15.424 1.00 0.00 N ATOM 1516 CA ALA A 105 -4.962 -26.581 16.600 1.00 0.00 C ATOM 1517 C ALA A 105 -6.104 -25.577 16.714 1.00 0.00 C ATOM 1518 O ALA A 105 -6.080 -24.690 17.567 1.00 0.00 O ATOM 1519 CB ALA A 105 -3.624 -25.859 16.552 1.00 0.00 C ATOM 0 H ALA A 105 -4.583 -27.127 14.612 1.00 0.00 H new ATOM 0 HA ALA A 105 -4.985 -27.220 17.483 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -3.518 -25.231 17.436 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -2.816 -26.591 16.527 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -3.578 -25.237 15.658 1.00 0.00 H new ATOM 1525 N ILE A 106 -7.102 -25.722 15.848 1.00 0.00 N ATOM 1526 CA ILE A 106 -8.253 -24.828 15.853 1.00 0.00 C ATOM 1527 C ILE A 106 -9.194 -25.149 17.008 1.00 0.00 C ATOM 1528 O ILE A 106 -9.580 -26.302 17.206 1.00 0.00 O ATOM 1529 CB ILE A 106 -9.036 -24.911 14.529 1.00 0.00 C ATOM 1530 CG1 ILE A 106 -8.262 -24.211 13.410 1.00 0.00 C ATOM 1531 CG2 ILE A 106 -10.417 -24.295 14.692 1.00 0.00 C ATOM 1532 CD1 ILE A 106 -8.592 -24.734 12.029 1.00 0.00 C ATOM 0 H ILE A 106 -7.136 -26.450 15.134 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.866 -23.816 15.974 1.00 0.00 H new ATOM 0 HB ILE A 106 -9.158 -25.960 14.260 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.474 -23.142 13.446 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -7.193 -24.330 13.589 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.958 -24.361 13.748 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.967 -24.833 15.464 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -10.317 -23.249 14.981 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -8.007 -24.193 11.286 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -8.353 -25.796 11.975 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -9.654 -24.591 11.830 1.00 0.00 H new ATOM 1544 N SER A 107 -9.562 -24.123 17.769 1.00 0.00 N ATOM 1545 CA SER A 107 -10.457 -24.296 18.906 1.00 0.00 C ATOM 1546 C SER A 107 -11.786 -23.587 18.664 1.00 0.00 C ATOM 1547 O SER A 107 -11.821 -22.388 18.387 1.00 0.00 O ATOM 1548 CB SER A 107 -9.805 -23.760 20.182 1.00 0.00 C ATOM 1549 OG SER A 107 -8.569 -24.406 20.434 1.00 0.00 O ATOM 0 H SER A 107 -9.253 -23.163 17.618 1.00 0.00 H new ATOM 0 HA SER A 107 -10.650 -25.362 19.026 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.645 -22.686 20.089 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.476 -23.910 21.028 1.00 0.00 H new ATOM 0 HG SER A 107 -8.172 -24.044 21.254 1.00 0.00 H new ATOM 1555 N ILE A 108 -12.878 -24.337 18.771 1.00 0.00 N ATOM 1556 CA ILE A 108 -14.209 -23.782 18.565 1.00 0.00 C ATOM 1557 C ILE A 108 -15.008 -23.771 19.864 1.00 0.00 C ATOM 1558 O ILE A 108 -14.863 -24.662 20.701 1.00 0.00 O ATOM 1559 CB ILE A 108 -14.992 -24.574 17.501 1.00 0.00 C ATOM 1560 CG1 ILE A 108 -16.354 -23.923 17.248 1.00 0.00 C ATOM 1561 CG2 ILE A 108 -15.163 -26.021 17.938 1.00 0.00 C ATOM 1562 CD1 ILE A 108 -16.267 -22.611 16.500 1.00 0.00 C ATOM 0 H ILE A 108 -12.866 -25.331 18.999 1.00 0.00 H new ATOM 0 HA ILE A 108 -14.072 -22.758 18.216 1.00 0.00 H new ATOM 0 HB ILE A 108 -14.426 -24.561 16.570 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -16.978 -24.614 16.682 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -16.850 -23.755 18.204 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -15.718 -26.568 17.176 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -14.183 -26.479 18.072 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -15.711 -26.054 18.880 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -17.269 -22.207 16.356 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -15.670 -21.903 17.075 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -15.800 -22.776 15.529 1.00 0.00 H new ATOM 1574 N VAL A 109 -15.853 -22.758 20.025 1.00 0.00 N ATOM 1575 CA VAL A 109 -16.677 -22.633 21.221 1.00 0.00 C ATOM 1576 C VAL A 109 -18.140 -22.404 20.858 1.00 0.00 C ATOM 1577 O VAL A 109 -19.014 -22.416 21.725 1.00 0.00 O ATOM 1578 CB VAL A 109 -16.195 -21.476 22.117 1.00 0.00 C ATOM 1579 CG1 VAL A 109 -14.760 -21.710 22.565 1.00 0.00 C ATOM 1580 CG2 VAL A 109 -16.324 -20.148 21.387 1.00 0.00 C ATOM 0 H VAL A 109 -15.985 -22.012 19.342 1.00 0.00 H new ATOM 0 HA VAL A 109 -16.583 -23.570 21.769 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.826 -21.439 23.005 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.437 -20.883 23.197 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -14.702 -22.641 23.128 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -14.112 -21.774 21.691 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -15.979 -19.342 22.035 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -15.718 -20.170 20.481 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -17.367 -19.979 21.121 1.00 0.00 H new