USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 162:sc= -0.763 (180deg=-1.48) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.321 F(o=-1.1,f=-0.32) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 66:sc= 0.434 USER MOD Single : A 58 MET CE :methyl -164:sc= -2.25! (180deg=-3.26!) USER MOD Single : A 60 ASN : amide:sc= -0.0299 X(o=-0.03,f=-0.14) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.24) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 319 N VAL A 25 5.345 1.382 6.607 1.00 0.00 N ATOM 320 CA VAL A 25 4.953 0.203 5.843 1.00 0.00 C ATOM 321 C VAL A 25 6.055 -0.852 5.860 1.00 0.00 C ATOM 322 O VAL A 25 6.568 -1.248 4.812 1.00 0.00 O ATOM 323 CB VAL A 25 4.620 0.566 4.383 1.00 0.00 C ATOM 324 CG1 VAL A 25 4.014 -0.627 3.660 1.00 0.00 C ATOM 325 CG2 VAL A 25 3.683 1.763 4.330 1.00 0.00 C ATOM 0 HA VAL A 25 4.060 -0.203 6.318 1.00 0.00 H new ATOM 0 HB VAL A 25 5.546 0.836 3.876 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.786 -0.351 2.631 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.724 -1.454 3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.098 -0.932 4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.459 2.004 3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.758 1.524 4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.160 2.620 4.807 1.00 0.00 H new ATOM 335 N SER A 26 6.415 -1.304 7.057 1.00 0.00 N ATOM 336 CA SER A 26 7.457 -2.312 7.213 1.00 0.00 C ATOM 337 C SER A 26 7.098 -3.590 6.462 1.00 0.00 C ATOM 338 O SER A 26 6.035 -3.685 5.849 1.00 0.00 O ATOM 339 CB SER A 26 7.677 -2.623 8.695 1.00 0.00 C ATOM 340 OG SER A 26 8.275 -1.526 9.364 1.00 0.00 O ATOM 0 H SER A 26 6.000 -0.988 7.933 1.00 0.00 H new ATOM 0 HA SER A 26 8.379 -1.912 6.791 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.723 -2.863 9.165 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.312 -3.503 8.795 1.00 0.00 H new ATOM 0 HG SER A 26 8.403 -1.750 10.309 1.00 0.00 H new ATOM 346 N ALA A 27 7.994 -4.572 6.516 1.00 0.00 N ATOM 347 CA ALA A 27 7.773 -5.846 5.842 1.00 0.00 C ATOM 348 C ALA A 27 6.503 -6.522 6.348 1.00 0.00 C ATOM 349 O ALA A 27 5.791 -7.177 5.588 1.00 0.00 O ATOM 350 CB ALA A 27 8.973 -6.759 6.038 1.00 0.00 C ATOM 0 H ALA A 27 8.879 -4.509 7.019 1.00 0.00 H new ATOM 0 HA ALA A 27 7.648 -5.650 4.777 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.796 -7.707 5.530 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.862 -6.285 5.622 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.122 -6.940 7.102 1.00 0.00 H new ATOM 356 N MET A 28 6.226 -6.356 7.637 1.00 0.00 N ATOM 357 CA MET A 28 5.041 -6.948 8.246 1.00 0.00 C ATOM 358 C MET A 28 3.770 -6.307 7.700 1.00 0.00 C ATOM 359 O MET A 28 2.724 -6.951 7.618 1.00 0.00 O ATOM 360 CB MET A 28 5.092 -6.793 9.768 1.00 0.00 C ATOM 361 CG MET A 28 3.988 -7.544 10.494 1.00 0.00 C ATOM 362 SD MET A 28 4.595 -8.478 11.912 1.00 0.00 S ATOM 363 CE MET A 28 3.322 -9.727 12.066 1.00 0.00 C ATOM 0 H MET A 28 6.806 -5.817 8.280 1.00 0.00 H new ATOM 0 HA MET A 28 5.027 -8.009 7.996 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.058 -7.146 10.129 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.026 -5.734 10.019 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.231 -6.834 10.829 1.00 0.00 H new ATOM 0 HG3 MET A 28 3.500 -8.226 9.798 1.00 0.00 H new ATOM 0 HE1 MET A 28 3.696 -10.555 12.669 1.00 0.00 H new ATOM 0 HE2 MET A 28 2.445 -9.295 12.547 1.00 0.00 H new ATOM 0 HE3 MET A 28 3.050 -10.093 11.076 1.00 0.00 H new ATOM 373 N PHE A 29 3.867 -5.036 7.328 1.00 0.00 N ATOM 374 CA PHE A 29 2.725 -4.307 6.788 1.00 0.00 C ATOM 375 C PHE A 29 2.453 -4.712 5.343 1.00 0.00 C ATOM 376 O PHE A 29 1.301 -4.790 4.916 1.00 0.00 O ATOM 377 CB PHE A 29 2.969 -2.799 6.870 1.00 0.00 C ATOM 378 CG PHE A 29 1.723 -1.980 6.691 1.00 0.00 C ATOM 379 CD1 PHE A 29 1.258 -1.671 5.422 1.00 0.00 C ATOM 380 CD2 PHE A 29 1.018 -1.518 7.790 1.00 0.00 C ATOM 381 CE1 PHE A 29 0.112 -0.918 5.254 1.00 0.00 C ATOM 382 CE2 PHE A 29 -0.128 -0.764 7.628 1.00 0.00 C ATOM 383 CZ PHE A 29 -0.583 -0.463 6.358 1.00 0.00 C ATOM 0 H PHE A 29 4.725 -4.488 7.390 1.00 0.00 H new ATOM 0 HA PHE A 29 1.850 -4.559 7.387 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.414 -2.563 7.837 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.694 -2.514 6.108 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.798 -2.023 4.555 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.368 -1.750 8.785 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.240 -0.685 4.260 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.668 -0.410 8.493 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.479 0.126 6.229 1.00 0.00 H new ATOM 393 N ILE A 30 3.521 -4.969 4.595 1.00 0.00 N ATOM 394 CA ILE A 30 3.398 -5.367 3.198 1.00 0.00 C ATOM 395 C ILE A 30 2.790 -6.761 3.078 1.00 0.00 C ATOM 396 O ILE A 30 1.974 -7.019 2.194 1.00 0.00 O ATOM 397 CB ILE A 30 4.764 -5.349 2.484 1.00 0.00 C ATOM 398 CG1 ILE A 30 5.457 -4.001 2.691 1.00 0.00 C ATOM 399 CG2 ILE A 30 4.593 -5.639 1.000 1.00 0.00 C ATOM 400 CD1 ILE A 30 6.937 -4.027 2.380 1.00 0.00 C ATOM 0 H ILE A 30 4.481 -4.909 4.933 1.00 0.00 H new ATOM 0 HA ILE A 30 2.739 -4.643 2.719 1.00 0.00 H new ATOM 0 HB ILE A 30 5.391 -6.129 2.917 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.975 -3.254 2.061 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.317 -3.685 3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.567 -5.622 0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.139 -6.622 0.871 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.950 -4.881 0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.362 -3.038 2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.432 -4.750 3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.085 -4.312 1.338 1.00 0.00 H new ATOM 412 N PHE A 31 3.193 -7.655 3.975 1.00 0.00 N ATOM 413 CA PHE A 31 2.687 -9.022 3.971 1.00 0.00 C ATOM 414 C PHE A 31 1.271 -9.078 4.537 1.00 0.00 C ATOM 415 O PHE A 31 0.414 -9.796 4.024 1.00 0.00 O ATOM 416 CB PHE A 31 3.611 -9.932 4.785 1.00 0.00 C ATOM 417 CG PHE A 31 3.149 -11.360 4.845 1.00 0.00 C ATOM 418 CD1 PHE A 31 3.426 -12.237 3.808 1.00 0.00 C ATOM 419 CD2 PHE A 31 2.438 -11.825 5.940 1.00 0.00 C ATOM 420 CE1 PHE A 31 3.002 -13.552 3.863 1.00 0.00 C ATOM 421 CE2 PHE A 31 2.011 -13.138 5.999 1.00 0.00 C ATOM 422 CZ PHE A 31 2.293 -14.002 4.959 1.00 0.00 C ATOM 0 H PHE A 31 3.868 -7.457 4.713 1.00 0.00 H new ATOM 0 HA PHE A 31 2.661 -9.372 2.939 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.611 -9.900 4.353 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.690 -9.542 5.800 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.979 -11.890 2.948 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.215 -11.154 6.756 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.225 -14.226 3.050 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.457 -13.488 6.858 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.959 -15.028 5.003 1.00 0.00 H new ATOM 432 N SER A 32 1.034 -8.314 5.599 1.00 0.00 N ATOM 433 CA SER A 32 -0.277 -8.276 6.236 1.00 0.00 C ATOM 434 C SER A 32 -1.288 -7.529 5.369 1.00 0.00 C ATOM 435 O SER A 32 -2.496 -7.724 5.505 1.00 0.00 O ATOM 436 CB SER A 32 -0.178 -7.611 7.610 1.00 0.00 C ATOM 437 OG SER A 32 -1.463 -7.284 8.112 1.00 0.00 O ATOM 0 H SER A 32 1.733 -7.713 6.036 1.00 0.00 H new ATOM 0 HA SER A 32 -0.622 -9.303 6.358 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.328 -8.280 8.306 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.428 -6.708 7.538 1.00 0.00 H new ATOM 0 HG SER A 32 -1.373 -6.862 8.992 1.00 0.00 H new ATOM 443 N GLU A 33 -0.791 -6.673 4.482 1.00 0.00 N ATOM 444 CA GLU A 33 -1.656 -5.899 3.599 1.00 0.00 C ATOM 445 C GLU A 33 -1.886 -6.629 2.279 1.00 0.00 C ATOM 446 O GLU A 33 -2.965 -6.547 1.692 1.00 0.00 O ATOM 447 CB GLU A 33 -1.045 -4.522 3.332 1.00 0.00 C ATOM 448 CG GLU A 33 -1.982 -3.572 2.602 1.00 0.00 C ATOM 449 CD GLU A 33 -1.432 -3.122 1.262 1.00 0.00 C ATOM 450 OE1 GLU A 33 -0.254 -2.712 1.211 1.00 0.00 O ATOM 451 OE2 GLU A 33 -2.180 -3.182 0.263 1.00 0.00 O ATOM 0 H GLU A 33 0.206 -6.498 4.356 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.618 -5.774 4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.753 -4.073 4.281 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.135 -4.645 2.744 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.943 -4.062 2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.166 -2.698 3.227 1.00 0.00 H new ATOM 458 N GLU A 34 -0.864 -7.341 1.815 1.00 0.00 N ATOM 459 CA GLU A 34 -0.956 -8.083 0.562 1.00 0.00 C ATOM 460 C GLU A 34 -1.646 -9.428 0.769 1.00 0.00 C ATOM 461 O GLU A 34 -2.311 -9.939 -0.131 1.00 0.00 O ATOM 462 CB GLU A 34 0.439 -8.298 -0.028 1.00 0.00 C ATOM 463 CG GLU A 34 0.436 -8.509 -1.534 1.00 0.00 C ATOM 464 CD GLU A 34 0.952 -7.302 -2.293 1.00 0.00 C ATOM 465 OE1 GLU A 34 0.659 -6.164 -1.869 1.00 0.00 O ATOM 466 OE2 GLU A 34 1.649 -7.495 -3.311 1.00 0.00 O ATOM 0 H GLU A 34 0.037 -7.420 2.287 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.554 -7.495 -0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.062 -7.435 0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.898 -9.163 0.451 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.050 -9.376 -1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.578 -8.734 -1.864 1.00 0.00 H new ATOM 473 N LYS A 35 -1.483 -9.996 1.959 1.00 0.00 N ATOM 474 CA LYS A 35 -2.089 -11.283 2.281 1.00 0.00 C ATOM 475 C LYS A 35 -3.547 -11.114 2.700 1.00 0.00 C ATOM 476 O LYS A 35 -4.361 -12.020 2.522 1.00 0.00 O ATOM 477 CB LYS A 35 -1.302 -11.976 3.393 1.00 0.00 C ATOM 478 CG LYS A 35 0.105 -12.379 2.983 1.00 0.00 C ATOM 479 CD LYS A 35 0.125 -13.756 2.341 1.00 0.00 C ATOM 480 CE LYS A 35 1.090 -13.811 1.167 1.00 0.00 C ATOM 481 NZ LYS A 35 1.670 -15.171 0.985 1.00 0.00 N ATOM 0 H LYS A 35 -0.937 -9.586 2.716 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.061 -11.902 1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.244 -11.311 4.254 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.847 -12.864 3.713 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.506 -11.645 2.284 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.755 -12.375 3.858 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.412 -14.500 3.084 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.878 -14.014 2.001 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.570 -13.514 0.256 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.894 -13.092 1.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.322 -15.165 0.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.188 -15.445 1.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.905 -15.854 0.809 1.00 0.00 H new ATOM 495 N ARG A 36 -3.870 -9.952 3.259 1.00 0.00 N ATOM 496 CA ARG A 36 -5.230 -9.669 3.704 1.00 0.00 C ATOM 497 C ARG A 36 -6.220 -9.795 2.548 1.00 0.00 C ATOM 498 O ARG A 36 -7.162 -10.586 2.609 1.00 0.00 O ATOM 499 CB ARG A 36 -5.310 -8.266 4.308 1.00 0.00 C ATOM 500 CG ARG A 36 -6.698 -7.893 4.803 1.00 0.00 C ATOM 501 CD ARG A 36 -6.716 -6.497 5.406 1.00 0.00 C ATOM 502 NE ARG A 36 -6.312 -5.479 4.441 1.00 0.00 N ATOM 503 CZ ARG A 36 -5.892 -4.262 4.779 1.00 0.00 C ATOM 504 NH1 ARG A 36 -5.821 -3.907 6.056 1.00 0.00 N ATOM 505 NH2 ARG A 36 -5.541 -3.396 3.837 1.00 0.00 N ATOM 0 H ARG A 36 -3.209 -9.191 3.415 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.495 -10.401 4.467 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.607 -8.197 5.138 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.993 -7.539 3.560 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.406 -7.943 3.976 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.027 -8.617 5.548 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.718 -6.273 5.771 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.048 -6.465 6.267 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.354 -5.714 3.449 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.089 -4.568 6.785 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.498 -2.973 6.308 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.593 -3.663 2.854 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.219 -2.463 4.096 1.00 0.00 H new ATOM 519 N ARG A 37 -5.999 -9.010 1.498 1.00 0.00 N ATOM 520 CA ARG A 37 -6.872 -9.034 0.330 1.00 0.00 C ATOM 521 C ARG A 37 -6.918 -10.428 -0.289 1.00 0.00 C ATOM 522 O ARG A 37 -7.927 -10.828 -0.867 1.00 0.00 O ATOM 523 CB ARG A 37 -6.394 -8.017 -0.708 1.00 0.00 C ATOM 524 CG ARG A 37 -7.529 -7.319 -1.442 1.00 0.00 C ATOM 525 CD ARG A 37 -7.189 -5.868 -1.743 1.00 0.00 C ATOM 526 NE ARG A 37 -7.860 -4.947 -0.828 1.00 0.00 N ATOM 527 CZ ARG A 37 -9.164 -4.681 -0.865 1.00 0.00 C ATOM 528 NH1 ARG A 37 -9.940 -5.266 -1.770 1.00 0.00 N ATOM 529 NH2 ARG A 37 -9.693 -3.831 0.004 1.00 0.00 N ATOM 0 H ARG A 37 -5.224 -8.350 1.432 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.878 -8.769 0.654 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.777 -7.267 -0.213 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.759 -8.523 -1.435 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.739 -7.845 -2.373 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.436 -7.364 -0.839 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.110 -5.726 -1.673 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.476 -5.634 -2.768 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.295 -4.480 -0.118 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.537 -5.922 -2.440 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.939 -5.060 -1.795 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.101 -3.380 0.702 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.692 -3.628 -0.025 1.00 0.00 H new ATOM 543 N GLN A 38 -5.816 -11.162 -0.164 1.00 0.00 N ATOM 544 CA GLN A 38 -5.731 -12.511 -0.710 1.00 0.00 C ATOM 545 C GLN A 38 -6.548 -13.490 0.127 1.00 0.00 C ATOM 546 O GLN A 38 -7.096 -14.461 -0.395 1.00 0.00 O ATOM 547 CB GLN A 38 -4.272 -12.969 -0.770 1.00 0.00 C ATOM 548 CG GLN A 38 -3.509 -12.418 -1.965 1.00 0.00 C ATOM 549 CD GLN A 38 -3.032 -13.507 -2.905 1.00 0.00 C ATOM 550 OE1 GLN A 38 -2.249 -14.376 -2.522 1.00 0.00 O ATOM 551 NE2 GLN A 38 -3.504 -13.466 -4.146 1.00 0.00 N ATOM 0 H GLN A 38 -4.971 -10.845 0.310 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.141 -12.493 -1.720 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.766 -12.663 0.146 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.243 -14.058 -0.802 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.149 -11.726 -2.512 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.651 -11.847 -1.611 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.152 -12.728 -4.421 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.219 -14.173 -4.824 1.00 0.00 H new ATOM 560 N LEU A 39 -6.626 -13.227 1.427 1.00 0.00 N ATOM 561 CA LEU A 39 -7.376 -14.085 2.336 1.00 0.00 C ATOM 562 C LEU A 39 -8.838 -13.654 2.409 1.00 0.00 C ATOM 563 O LEU A 39 -9.729 -14.478 2.613 1.00 0.00 O ATOM 564 CB LEU A 39 -6.753 -14.053 3.733 1.00 0.00 C ATOM 565 CG LEU A 39 -5.562 -14.990 3.933 1.00 0.00 C ATOM 566 CD1 LEU A 39 -4.717 -14.537 5.113 1.00 0.00 C ATOM 567 CD2 LEU A 39 -6.038 -16.420 4.134 1.00 0.00 C ATOM 0 H LEU A 39 -6.179 -12.427 1.874 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.334 -15.104 1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.433 -13.033 3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.522 -14.307 4.463 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.943 -14.956 3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.874 -15.217 5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.346 -13.529 4.929 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.324 -14.540 6.018 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.177 -17.074 4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.679 -16.470 5.014 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.599 -16.743 3.257 1.00 0.00 H new ATOM 579 N GLN A 40 -9.076 -12.357 2.240 1.00 0.00 N ATOM 580 CA GLN A 40 -10.430 -11.817 2.286 1.00 0.00 C ATOM 581 C GLN A 40 -11.308 -12.458 1.216 1.00 0.00 C ATOM 582 O GLN A 40 -12.421 -12.903 1.496 1.00 0.00 O ATOM 583 CB GLN A 40 -10.402 -10.299 2.101 1.00 0.00 C ATOM 584 CG GLN A 40 -11.312 -9.552 3.062 1.00 0.00 C ATOM 585 CD GLN A 40 -11.145 -8.048 2.974 1.00 0.00 C ATOM 586 OE1 GLN A 40 -10.162 -7.519 3.693 1.00 0.00 O flip ATOM 587 NE2 GLN A 40 -11.891 -7.368 2.269 1.00 0.00 N flip ATOM 0 H GLN A 40 -8.350 -11.661 2.070 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.855 -12.048 3.263 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.380 -9.944 2.232 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.694 -10.061 1.078 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.349 -9.812 2.850 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.104 -9.878 4.081 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.634 -7.816 1.733 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -11.766 -6.357 2.221 1.00 0.00 H new ATOM 596 N GLU A 41 -10.800 -12.500 -0.011 1.00 0.00 N ATOM 597 CA GLU A 41 -11.538 -13.087 -1.125 1.00 0.00 C ATOM 598 C GLU A 41 -11.854 -14.554 -0.855 1.00 0.00 C ATOM 599 O GLU A 41 -13.007 -14.977 -0.941 1.00 0.00 O ATOM 600 CB GLU A 41 -10.734 -12.957 -2.421 1.00 0.00 C ATOM 601 CG GLU A 41 -10.937 -11.629 -3.130 1.00 0.00 C ATOM 602 CD GLU A 41 -10.279 -11.592 -4.496 1.00 0.00 C ATOM 603 OE1 GLU A 41 -10.605 -12.457 -5.335 1.00 0.00 O ATOM 604 OE2 GLU A 41 -9.437 -10.699 -4.725 1.00 0.00 O ATOM 0 H GLU A 41 -9.881 -12.135 -0.260 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.478 -12.545 -1.232 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.675 -13.081 -2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.014 -13.766 -3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.005 -11.439 -3.240 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.532 -10.826 -2.514 1.00 0.00 H new ATOM 611 N GLU A 42 -10.824 -15.326 -0.526 1.00 0.00 N ATOM 612 CA GLU A 42 -10.993 -16.746 -0.242 1.00 0.00 C ATOM 613 C GLU A 42 -11.841 -16.952 1.008 1.00 0.00 C ATOM 614 O GLU A 42 -12.574 -17.936 1.118 1.00 0.00 O ATOM 615 CB GLU A 42 -9.628 -17.417 -0.063 1.00 0.00 C ATOM 616 CG GLU A 42 -9.072 -18.011 -1.348 1.00 0.00 C ATOM 617 CD GLU A 42 -7.941 -18.988 -1.094 1.00 0.00 C ATOM 618 OE1 GLU A 42 -6.832 -18.534 -0.744 1.00 0.00 O ATOM 619 OE2 GLU A 42 -8.164 -20.207 -1.247 1.00 0.00 O ATOM 0 H GLU A 42 -9.863 -14.992 -0.449 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.507 -17.203 -1.088 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.920 -16.685 0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.715 -18.205 0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.873 -18.519 -1.886 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.716 -17.207 -1.992 1.00 0.00 H new ATOM 626 N ARG A 43 -11.738 -16.019 1.949 1.00 0.00 N ATOM 627 CA ARG A 43 -12.497 -16.098 3.193 1.00 0.00 C ATOM 628 C ARG A 43 -13.399 -14.878 3.359 1.00 0.00 C ATOM 629 O ARG A 43 -13.094 -13.971 4.134 1.00 0.00 O ATOM 630 CB ARG A 43 -11.547 -16.213 4.387 1.00 0.00 C ATOM 631 CG ARG A 43 -10.596 -17.395 4.295 1.00 0.00 C ATOM 632 CD ARG A 43 -11.278 -18.692 4.699 1.00 0.00 C ATOM 633 NE ARG A 43 -10.594 -19.863 4.156 1.00 0.00 N ATOM 634 CZ ARG A 43 -11.139 -21.076 4.092 1.00 0.00 C ATOM 635 NH1 ARG A 43 -12.373 -21.281 4.536 1.00 0.00 N ATOM 636 NH2 ARG A 43 -10.449 -22.086 3.582 1.00 0.00 N ATOM 0 H ARG A 43 -11.136 -15.199 1.874 1.00 0.00 H new ATOM 0 HA ARG A 43 -13.126 -16.988 3.151 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.965 -15.295 4.468 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -12.134 -16.300 5.301 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.220 -17.483 3.276 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.734 -17.220 4.938 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.309 -18.762 5.786 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.311 -18.682 4.351 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.643 -19.744 3.805 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.909 -20.507 4.929 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.785 -22.212 4.484 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.501 -21.934 3.239 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.866 -23.015 3.533 1.00 0.00 H new ATOM 650 N PRO A 44 -14.528 -14.840 2.631 1.00 0.00 N ATOM 651 CA PRO A 44 -15.478 -13.724 2.703 1.00 0.00 C ATOM 652 C PRO A 44 -16.200 -13.658 4.045 1.00 0.00 C ATOM 653 O PRO A 44 -16.713 -12.608 4.432 1.00 0.00 O ATOM 654 CB PRO A 44 -16.471 -14.027 1.577 1.00 0.00 C ATOM 655 CG PRO A 44 -16.393 -15.503 1.389 1.00 0.00 C ATOM 656 CD PRO A 44 -14.969 -15.881 1.684 1.00 0.00 C ATOM 0 HA PRO A 44 -14.979 -12.760 2.602 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -17.480 -13.715 1.845 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.206 -13.497 0.662 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -17.081 -16.019 2.059 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.669 -15.782 0.372 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.900 -16.877 2.121 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.359 -15.887 0.780 1.00 0.00 H new ATOM 664 N GLU A 45 -16.238 -14.784 4.751 1.00 0.00 N ATOM 665 CA GLU A 45 -16.899 -14.850 6.049 1.00 0.00 C ATOM 666 C GLU A 45 -16.069 -14.145 7.118 1.00 0.00 C ATOM 667 O GLU A 45 -16.612 -13.558 8.052 1.00 0.00 O ATOM 668 CB GLU A 45 -17.138 -16.306 6.450 1.00 0.00 C ATOM 669 CG GLU A 45 -18.449 -16.527 7.188 1.00 0.00 C ATOM 670 CD GLU A 45 -18.247 -16.801 8.666 1.00 0.00 C ATOM 671 OE1 GLU A 45 -18.171 -15.828 9.445 1.00 0.00 O ATOM 672 OE2 GLU A 45 -18.168 -17.989 9.043 1.00 0.00 O ATOM 0 H GLU A 45 -15.819 -15.662 4.446 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.860 -14.342 5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.126 -16.927 5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.315 -16.640 7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -19.082 -15.648 7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.979 -17.365 6.736 1.00 0.00 H new ATOM 679 N LEU A 46 -14.750 -14.210 6.972 1.00 0.00 N ATOM 680 CA LEU A 46 -13.844 -13.581 7.924 1.00 0.00 C ATOM 681 C LEU A 46 -13.578 -12.127 7.543 1.00 0.00 C ATOM 682 O LEU A 46 -13.293 -11.821 6.385 1.00 0.00 O ATOM 683 CB LEU A 46 -12.525 -14.352 7.991 1.00 0.00 C ATOM 684 CG LEU A 46 -12.568 -15.636 8.821 1.00 0.00 C ATOM 685 CD1 LEU A 46 -11.587 -16.660 8.271 1.00 0.00 C ATOM 686 CD2 LEU A 46 -12.266 -15.336 10.281 1.00 0.00 C ATOM 0 H LEU A 46 -14.285 -14.692 6.203 1.00 0.00 H new ATOM 0 HA LEU A 46 -14.318 -13.600 8.905 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.217 -14.603 6.976 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.759 -13.696 8.404 1.00 0.00 H new ATOM 0 HG LEU A 46 -13.572 -16.055 8.757 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.631 -17.567 8.874 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.848 -16.897 7.240 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.577 -16.251 8.305 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.301 -16.261 10.857 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.273 -14.894 10.364 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -13.007 -14.638 10.670 1.00 0.00 H new ATOM 698 N SER A 47 -13.676 -11.236 8.524 1.00 0.00 N ATOM 699 CA SER A 47 -13.446 -9.815 8.291 1.00 0.00 C ATOM 700 C SER A 47 -11.977 -9.460 8.495 1.00 0.00 C ATOM 701 O SER A 47 -11.170 -10.308 8.875 1.00 0.00 O ATOM 702 CB SER A 47 -14.320 -8.976 9.225 1.00 0.00 C ATOM 703 OG SER A 47 -14.818 -7.826 8.563 1.00 0.00 O ATOM 0 H SER A 47 -13.913 -11.473 9.487 1.00 0.00 H new ATOM 0 HA SER A 47 -13.714 -9.594 7.258 1.00 0.00 H new ATOM 0 HB2 SER A 47 -15.152 -9.579 9.588 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.740 -8.675 10.097 1.00 0.00 H new ATOM 0 HG SER A 47 -15.375 -7.308 9.181 1.00 0.00 H new ATOM 709 N GLU A 48 -11.637 -8.201 8.238 1.00 0.00 N ATOM 710 CA GLU A 48 -10.264 -7.734 8.393 1.00 0.00 C ATOM 711 C GLU A 48 -9.811 -7.845 9.845 1.00 0.00 C ATOM 712 O GLU A 48 -8.631 -8.058 10.124 1.00 0.00 O ATOM 713 CB GLU A 48 -10.142 -6.284 7.918 1.00 0.00 C ATOM 714 CG GLU A 48 -10.464 -6.097 6.445 1.00 0.00 C ATOM 715 CD GLU A 48 -10.534 -4.637 6.044 1.00 0.00 C ATOM 716 OE1 GLU A 48 -11.559 -3.987 6.338 1.00 0.00 O ATOM 717 OE2 GLU A 48 -9.561 -4.141 5.436 1.00 0.00 O ATOM 0 H GLU A 48 -12.293 -7.487 7.922 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.620 -8.366 7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.811 -5.659 8.510 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.128 -5.933 8.107 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.705 -6.599 5.845 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.417 -6.577 6.221 1.00 0.00 H new ATOM 724 N SER A 49 -10.758 -7.700 10.768 1.00 0.00 N ATOM 725 CA SER A 49 -10.457 -7.784 12.193 1.00 0.00 C ATOM 726 C SER A 49 -9.857 -9.142 12.544 1.00 0.00 C ATOM 727 O SER A 49 -8.860 -9.225 13.261 1.00 0.00 O ATOM 728 CB SER A 49 -11.721 -7.543 13.018 1.00 0.00 C ATOM 729 OG SER A 49 -11.858 -6.173 13.355 1.00 0.00 O ATOM 0 H SER A 49 -11.740 -7.524 10.554 1.00 0.00 H new ATOM 0 HA SER A 49 -9.725 -7.012 12.430 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.595 -7.871 12.455 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.685 -8.142 13.928 1.00 0.00 H new ATOM 0 HG SER A 49 -12.675 -6.046 13.881 1.00 0.00 H new ATOM 735 N GLU A 50 -10.472 -10.205 12.034 1.00 0.00 N ATOM 736 CA GLU A 50 -9.999 -11.559 12.294 1.00 0.00 C ATOM 737 C GLU A 50 -8.756 -11.869 11.467 1.00 0.00 C ATOM 738 O GLU A 50 -7.857 -12.577 11.921 1.00 0.00 O ATOM 739 CB GLU A 50 -11.100 -12.574 11.981 1.00 0.00 C ATOM 740 CG GLU A 50 -12.349 -12.398 12.829 1.00 0.00 C ATOM 741 CD GLU A 50 -12.342 -13.273 14.067 1.00 0.00 C ATOM 742 OE1 GLU A 50 -12.312 -14.512 13.917 1.00 0.00 O ATOM 743 OE2 GLU A 50 -12.368 -12.719 15.186 1.00 0.00 O ATOM 0 H GLU A 50 -11.299 -10.154 11.439 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.738 -11.630 13.350 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.371 -12.491 10.928 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.708 -13.580 12.131 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.437 -11.353 13.128 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.228 -12.632 12.228 1.00 0.00 H new ATOM 750 N LEU A 51 -8.713 -11.335 10.250 1.00 0.00 N ATOM 751 CA LEU A 51 -7.579 -11.554 9.360 1.00 0.00 C ATOM 752 C LEU A 51 -6.287 -11.035 9.982 1.00 0.00 C ATOM 753 O LEU A 51 -5.205 -11.558 9.717 1.00 0.00 O ATOM 754 CB LEU A 51 -7.821 -10.869 8.013 1.00 0.00 C ATOM 755 CG LEU A 51 -8.840 -11.564 7.107 1.00 0.00 C ATOM 756 CD1 LEU A 51 -8.960 -10.832 5.780 1.00 0.00 C ATOM 757 CD2 LEU A 51 -8.450 -13.017 6.884 1.00 0.00 C ATOM 0 H LEU A 51 -9.450 -10.748 9.858 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.478 -12.628 9.202 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.157 -9.849 8.197 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.872 -10.801 7.481 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.812 -11.541 7.600 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.689 -11.340 5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.286 -9.807 5.958 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.991 -10.823 5.281 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.185 -13.496 6.238 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.468 -13.062 6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.416 -13.536 7.842 1.00 0.00 H new ATOM 769 N THR A 52 -6.409 -10.001 10.809 1.00 0.00 N ATOM 770 CA THR A 52 -5.250 -9.408 11.471 1.00 0.00 C ATOM 771 C THR A 52 -4.491 -10.452 12.285 1.00 0.00 C ATOM 772 O THR A 52 -3.260 -10.474 12.290 1.00 0.00 O ATOM 773 CB THR A 52 -5.689 -8.258 12.377 1.00 0.00 C ATOM 774 OG1 THR A 52 -6.616 -7.419 11.710 1.00 0.00 O ATOM 775 CG2 THR A 52 -4.540 -7.392 12.844 1.00 0.00 C ATOM 0 H THR A 52 -7.298 -9.556 11.037 1.00 0.00 H new ATOM 0 HA THR A 52 -4.582 -9.021 10.701 1.00 0.00 H new ATOM 0 HB THR A 52 -6.142 -8.733 13.247 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.442 -7.917 11.538 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.921 -6.595 13.483 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.831 -8.000 13.406 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.039 -6.956 11.980 1.00 0.00 H new ATOM 783 N ARG A 53 -5.233 -11.313 12.973 1.00 0.00 N ATOM 784 CA ARG A 53 -4.628 -12.358 13.790 1.00 0.00 C ATOM 785 C ARG A 53 -4.001 -13.439 12.917 1.00 0.00 C ATOM 786 O ARG A 53 -3.004 -14.056 13.294 1.00 0.00 O ATOM 787 CB ARG A 53 -5.675 -12.980 14.717 1.00 0.00 C ATOM 788 CG ARG A 53 -6.273 -11.993 15.707 1.00 0.00 C ATOM 789 CD ARG A 53 -5.209 -11.400 16.617 1.00 0.00 C ATOM 790 NE ARG A 53 -4.933 -10.001 16.297 1.00 0.00 N ATOM 791 CZ ARG A 53 -5.706 -8.986 16.677 1.00 0.00 C ATOM 792 NH1 ARG A 53 -6.803 -9.210 17.390 1.00 0.00 N ATOM 793 NH2 ARG A 53 -5.381 -7.744 16.345 1.00 0.00 N ATOM 0 H ARG A 53 -6.253 -11.308 12.981 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.842 -11.902 14.393 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.476 -13.406 14.113 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.218 -13.803 15.267 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.776 -11.193 15.165 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.030 -12.495 16.310 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.535 -11.477 17.654 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.291 -11.980 16.527 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.098 -9.790 15.750 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.057 -10.163 17.649 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.392 -8.429 17.679 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.538 -7.566 15.798 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.974 -6.967 16.636 1.00 0.00 H new ATOM 807 N LEU A 54 -4.590 -13.663 11.747 1.00 0.00 N ATOM 808 CA LEU A 54 -4.089 -14.669 10.818 1.00 0.00 C ATOM 809 C LEU A 54 -2.901 -14.135 10.025 1.00 0.00 C ATOM 810 O LEU A 54 -1.991 -14.885 9.671 1.00 0.00 O ATOM 811 CB LEU A 54 -5.200 -15.108 9.861 1.00 0.00 C ATOM 812 CG LEU A 54 -4.995 -16.481 9.219 1.00 0.00 C ATOM 813 CD1 LEU A 54 -5.149 -17.584 10.256 1.00 0.00 C ATOM 814 CD2 LEU A 54 -5.977 -16.683 8.074 1.00 0.00 C ATOM 0 H LEU A 54 -5.415 -13.161 11.420 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.757 -15.530 11.399 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.145 -15.115 10.404 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.293 -14.364 9.070 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.983 -16.527 8.818 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.000 -18.554 9.781 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.408 -17.448 11.044 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.149 -17.541 10.687 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.818 -17.665 7.628 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.997 -16.617 8.453 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.820 -15.912 7.320 1.00 0.00 H new ATOM 826 N LEU A 55 -2.916 -12.835 9.750 1.00 0.00 N ATOM 827 CA LEU A 55 -1.839 -12.201 8.999 1.00 0.00 C ATOM 828 C LEU A 55 -0.582 -12.072 9.854 1.00 0.00 C ATOM 829 O LEU A 55 0.534 -12.246 9.365 1.00 0.00 O ATOM 830 CB LEU A 55 -2.278 -10.821 8.506 1.00 0.00 C ATOM 831 CG LEU A 55 -3.415 -10.831 7.483 1.00 0.00 C ATOM 832 CD1 LEU A 55 -4.137 -9.492 7.474 1.00 0.00 C ATOM 833 CD2 LEU A 55 -2.880 -11.160 6.097 1.00 0.00 C ATOM 0 H LEU A 55 -3.662 -12.200 10.036 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.609 -12.831 8.140 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.588 -10.227 9.365 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.417 -10.319 8.065 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.129 -11.603 7.769 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.943 -9.518 6.740 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.553 -9.296 8.462 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.434 -8.701 7.213 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.702 -11.163 5.381 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.145 -10.410 5.803 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.409 -12.143 6.113 1.00 0.00 H new ATOM 845 N ALA A 56 -0.772 -11.766 11.133 1.00 0.00 N ATOM 846 CA ALA A 56 0.344 -11.613 12.057 1.00 0.00 C ATOM 847 C ALA A 56 1.052 -12.943 12.289 1.00 0.00 C ATOM 848 O ALA A 56 2.276 -12.994 12.412 1.00 0.00 O ATOM 849 CB ALA A 56 -0.140 -11.034 13.378 1.00 0.00 C ATOM 0 H ALA A 56 -1.690 -11.619 11.553 1.00 0.00 H new ATOM 0 HA ALA A 56 1.060 -10.923 11.611 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.704 -10.925 14.059 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.593 -10.058 13.203 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.878 -11.703 13.820 1.00 0.00 H new ATOM 855 N ARG A 57 0.276 -14.020 12.348 1.00 0.00 N ATOM 856 CA ARG A 57 0.829 -15.351 12.564 1.00 0.00 C ATOM 857 C ARG A 57 1.504 -15.872 11.300 1.00 0.00 C ATOM 858 O ARG A 57 2.557 -16.507 11.364 1.00 0.00 O ATOM 859 CB ARG A 57 -0.272 -16.319 13.005 1.00 0.00 C ATOM 860 CG ARG A 57 0.259 -17.624 13.576 1.00 0.00 C ATOM 861 CD ARG A 57 -0.811 -18.367 14.358 1.00 0.00 C ATOM 862 NE ARG A 57 -0.699 -19.815 14.201 1.00 0.00 N ATOM 863 CZ ARG A 57 -1.261 -20.696 15.024 1.00 0.00 C ATOM 864 NH1 ARG A 57 -1.974 -20.282 16.065 1.00 0.00 N ATOM 865 NH2 ARG A 57 -1.111 -21.996 14.807 1.00 0.00 N ATOM 0 H ARG A 57 -0.739 -13.997 12.249 1.00 0.00 H new ATOM 0 HA ARG A 57 1.579 -15.282 13.352 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.895 -15.831 13.755 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.914 -16.540 12.152 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.623 -18.255 12.765 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.109 -17.418 14.226 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.732 -18.110 15.414 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.796 -18.041 14.024 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.158 -20.172 13.414 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.093 -19.284 16.237 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.403 -20.962 16.693 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.565 -22.320 14.009 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.542 -22.671 15.438 1.00 0.00 H new ATOM 879 N MET A 58 0.892 -15.600 10.152 1.00 0.00 N ATOM 880 CA MET A 58 1.436 -16.041 8.873 1.00 0.00 C ATOM 881 C MET A 58 2.829 -15.465 8.646 1.00 0.00 C ATOM 882 O MET A 58 3.674 -16.091 8.004 1.00 0.00 O ATOM 883 CB MET A 58 0.507 -15.626 7.730 1.00 0.00 C ATOM 884 CG MET A 58 -0.655 -16.583 7.513 1.00 0.00 C ATOM 885 SD MET A 58 -0.827 -17.093 5.792 1.00 0.00 S ATOM 886 CE MET A 58 -1.272 -15.539 5.020 1.00 0.00 C ATOM 0 H MET A 58 0.019 -15.077 10.081 1.00 0.00 H new ATOM 0 HA MET A 58 1.512 -17.128 8.894 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.114 -14.631 7.936 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.086 -15.556 6.809 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.514 -17.466 8.137 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.579 -16.106 7.840 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.685 -15.730 4.030 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.016 -15.029 5.631 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.386 -14.911 4.929 1.00 0.00 H new ATOM 896 N TRP A 59 3.063 -14.270 9.177 1.00 0.00 N ATOM 897 CA TRP A 59 4.356 -13.610 9.033 1.00 0.00 C ATOM 898 C TRP A 59 5.457 -14.418 9.713 1.00 0.00 C ATOM 899 O TRP A 59 6.606 -14.415 9.272 1.00 0.00 O ATOM 900 CB TRP A 59 4.300 -12.200 9.625 1.00 0.00 C ATOM 901 CG TRP A 59 5.590 -11.447 9.496 1.00 0.00 C ATOM 902 CD1 TRP A 59 6.425 -11.075 10.508 1.00 0.00 C ATOM 903 CD2 TRP A 59 6.190 -10.974 8.285 1.00 0.00 C ATOM 904 NE1 TRP A 59 7.510 -10.401 10.002 1.00 0.00 N ATOM 905 CE2 TRP A 59 7.388 -10.326 8.639 1.00 0.00 C ATOM 906 CE3 TRP A 59 5.832 -11.037 6.935 1.00 0.00 C ATOM 907 CZ2 TRP A 59 8.229 -9.744 7.692 1.00 0.00 C ATOM 908 CZ3 TRP A 59 6.667 -10.460 5.997 1.00 0.00 C ATOM 909 CH2 TRP A 59 7.854 -9.821 6.379 1.00 0.00 C ATOM 0 H TRP A 59 2.375 -13.739 9.711 1.00 0.00 H new ATOM 0 HA TRP A 59 4.586 -13.541 7.970 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.509 -11.637 9.130 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.031 -12.267 10.679 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.258 -11.280 11.555 1.00 0.00 H new ATOM 0 HE1 TRP A 59 8.280 -10.019 10.551 1.00 0.00 H new ATOM 0 HE3 TRP A 59 4.919 -11.528 6.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 9.144 -9.250 7.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 6.400 -10.502 4.951 1.00 0.00 H new ATOM 0 HH2 TRP A 59 8.485 -9.381 5.622 1.00 0.00 H new ATOM 920 N ASN A 60 5.097 -15.110 10.789 1.00 0.00 N ATOM 921 CA ASN A 60 6.054 -15.923 11.531 1.00 0.00 C ATOM 922 C ASN A 60 6.376 -17.208 10.775 1.00 0.00 C ATOM 923 O ASN A 60 7.532 -17.627 10.705 1.00 0.00 O ATOM 924 CB ASN A 60 5.502 -16.258 12.917 1.00 0.00 C ATOM 925 CG ASN A 60 5.329 -15.025 13.783 1.00 0.00 C ATOM 926 OD1 ASN A 60 6.234 -14.199 13.895 1.00 0.00 O ATOM 927 ND2 ASN A 60 4.161 -14.896 14.402 1.00 0.00 N ATOM 0 H ASN A 60 4.150 -15.124 11.167 1.00 0.00 H new ATOM 0 HA ASN A 60 6.973 -15.348 11.643 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.541 -16.762 12.811 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.175 -16.957 13.414 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.987 -14.087 14.999 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.438 -15.606 14.281 1.00 0.00 H new ATOM 934 N ASP A 61 5.345 -17.830 10.209 1.00 0.00 N ATOM 935 CA ASP A 61 5.519 -19.068 9.458 1.00 0.00 C ATOM 936 C ASP A 61 6.396 -18.844 8.228 1.00 0.00 C ATOM 937 O ASP A 61 7.038 -19.773 7.736 1.00 0.00 O ATOM 938 CB ASP A 61 4.157 -19.626 9.035 1.00 0.00 C ATOM 939 CG ASP A 61 3.708 -20.778 9.914 1.00 0.00 C ATOM 940 OD1 ASP A 61 4.439 -21.787 9.989 1.00 0.00 O ATOM 941 OD2 ASP A 61 2.626 -20.670 10.526 1.00 0.00 O ATOM 0 H ASP A 61 4.382 -17.497 10.257 1.00 0.00 H new ATOM 0 HA ASP A 61 6.016 -19.790 10.106 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.413 -18.830 9.074 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.210 -19.962 7.999 1.00 0.00 H new ATOM 946 N LEU A 62 6.418 -17.609 7.735 1.00 0.00 N ATOM 947 CA LEU A 62 7.216 -17.267 6.562 1.00 0.00 C ATOM 948 C LEU A 62 8.681 -17.640 6.769 1.00 0.00 C ATOM 949 O LEU A 62 9.069 -18.105 7.840 1.00 0.00 O ATOM 950 CB LEU A 62 7.100 -15.772 6.259 1.00 0.00 C ATOM 951 CG LEU A 62 5.807 -15.352 5.558 1.00 0.00 C ATOM 952 CD1 LEU A 62 5.652 -13.839 5.586 1.00 0.00 C ATOM 953 CD2 LEU A 62 5.786 -15.867 4.126 1.00 0.00 C ATOM 0 H LEU A 62 5.893 -16.829 8.129 1.00 0.00 H new ATOM 0 HA LEU A 62 6.831 -17.836 5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.184 -15.220 7.195 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.945 -15.476 5.637 1.00 0.00 H new ATOM 0 HG LEU A 62 4.966 -15.792 6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.727 -13.559 5.083 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.621 -13.495 6.620 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.497 -13.377 5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.859 -15.559 3.642 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.635 -15.456 3.579 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.849 -16.955 4.130 1.00 0.00 H new ATOM 965 N SER A 63 9.491 -17.432 5.735 1.00 0.00 N ATOM 966 CA SER A 63 10.913 -17.745 5.802 1.00 0.00 C ATOM 967 C SER A 63 11.757 -16.504 5.532 1.00 0.00 C ATOM 968 O SER A 63 11.245 -15.481 5.078 1.00 0.00 O ATOM 969 CB SER A 63 11.264 -18.842 4.795 1.00 0.00 C ATOM 970 OG SER A 63 10.505 -20.015 5.034 1.00 0.00 O ATOM 0 H SER A 63 9.186 -17.048 4.841 1.00 0.00 H new ATOM 0 HA SER A 63 11.133 -18.101 6.809 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.077 -18.484 3.783 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.327 -19.073 4.860 1.00 0.00 H new ATOM 0 HG SER A 63 10.746 -20.700 4.376 1.00 0.00 H new ATOM 976 N GLU A 64 13.051 -16.601 5.816 1.00 0.00 N ATOM 977 CA GLU A 64 13.967 -15.485 5.604 1.00 0.00 C ATOM 978 C GLU A 64 14.020 -15.097 4.131 1.00 0.00 C ATOM 979 O GLU A 64 14.246 -13.935 3.792 1.00 0.00 O ATOM 980 CB GLU A 64 15.368 -15.848 6.100 1.00 0.00 C ATOM 981 CG GLU A 64 15.402 -16.295 7.552 1.00 0.00 C ATOM 982 CD GLU A 64 16.376 -17.432 7.789 1.00 0.00 C ATOM 983 OE1 GLU A 64 16.391 -18.380 6.975 1.00 0.00 O ATOM 984 OE2 GLU A 64 17.122 -17.377 8.788 1.00 0.00 O ATOM 0 H GLU A 64 13.490 -17.441 6.194 1.00 0.00 H new ATOM 0 HA GLU A 64 13.598 -14.631 6.172 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.771 -16.644 5.474 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.022 -14.985 5.979 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.676 -15.449 8.182 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.403 -16.608 7.855 1.00 0.00 H new ATOM 991 N LYS A 65 13.812 -16.076 3.256 1.00 0.00 N ATOM 992 CA LYS A 65 13.838 -15.837 1.818 1.00 0.00 C ATOM 993 C LYS A 65 12.601 -15.063 1.373 1.00 0.00 C ATOM 994 O LYS A 65 12.688 -14.161 0.540 1.00 0.00 O ATOM 995 CB LYS A 65 13.924 -17.164 1.061 1.00 0.00 C ATOM 996 CG LYS A 65 15.284 -17.835 1.162 1.00 0.00 C ATOM 997 CD LYS A 65 15.552 -18.342 2.570 1.00 0.00 C ATOM 998 CE LYS A 65 16.488 -19.540 2.563 1.00 0.00 C ATOM 999 NZ LYS A 65 15.765 -20.812 2.847 1.00 0.00 N ATOM 0 H LYS A 65 13.623 -17.043 3.519 1.00 0.00 H new ATOM 0 HA LYS A 65 14.720 -15.239 1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.164 -17.843 1.447 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.691 -16.989 0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.334 -18.667 0.459 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.062 -17.128 0.875 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.988 -17.542 3.169 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.610 -18.618 3.044 1.00 0.00 H new ATOM 0 HE2 LYS A 65 16.980 -19.611 1.593 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.271 -19.393 3.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.438 -21.605 2.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.317 -20.755 3.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.035 -20.965 2.123 1.00 0.00 H new ATOM 1013 N LYS A 66 11.450 -15.423 1.931 1.00 0.00 N ATOM 1014 CA LYS A 66 10.196 -14.763 1.590 1.00 0.00 C ATOM 1015 C LYS A 66 10.074 -13.420 2.303 1.00 0.00 C ATOM 1016 O LYS A 66 9.458 -12.486 1.788 1.00 0.00 O ATOM 1017 CB LYS A 66 9.009 -15.656 1.956 1.00 0.00 C ATOM 1018 CG LYS A 66 8.725 -16.740 0.928 1.00 0.00 C ATOM 1019 CD LYS A 66 7.383 -17.408 1.179 1.00 0.00 C ATOM 1020 CE LYS A 66 6.658 -17.714 -0.123 1.00 0.00 C ATOM 1021 NZ LYS A 66 6.038 -19.066 -0.108 1.00 0.00 N ATOM 0 H LYS A 66 11.360 -16.168 2.621 1.00 0.00 H new ATOM 0 HA LYS A 66 10.191 -14.585 0.515 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.201 -16.124 2.922 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.120 -15.036 2.073 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.735 -16.306 -0.072 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.517 -17.489 0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.534 -18.332 1.738 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.763 -16.759 1.798 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.887 -16.963 -0.294 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.360 -17.646 -0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.554 -19.236 -1.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.777 -19.785 0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.349 -19.123 0.669 1.00 0.00 H new ATOM 1035 N LYS A 67 10.664 -13.330 3.491 1.00 0.00 N ATOM 1036 CA LYS A 67 10.620 -12.102 4.274 1.00 0.00 C ATOM 1037 C LYS A 67 11.524 -11.034 3.667 1.00 0.00 C ATOM 1038 O LYS A 67 11.244 -9.840 3.764 1.00 0.00 O ATOM 1039 CB LYS A 67 11.038 -12.379 5.719 1.00 0.00 C ATOM 1040 CG LYS A 67 9.890 -12.825 6.610 1.00 0.00 C ATOM 1041 CD LYS A 67 10.252 -14.064 7.414 1.00 0.00 C ATOM 1042 CE LYS A 67 9.648 -14.021 8.809 1.00 0.00 C ATOM 1043 NZ LYS A 67 10.622 -14.455 9.848 1.00 0.00 N ATOM 0 H LYS A 67 11.178 -14.093 3.932 1.00 0.00 H new ATOM 0 HA LYS A 67 9.595 -11.732 4.263 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.810 -13.148 5.724 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.483 -11.477 6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.621 -12.016 7.289 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.013 -13.032 5.997 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.900 -14.953 6.891 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.336 -14.146 7.489 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.311 -13.008 9.028 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.769 -14.664 8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.173 -14.412 10.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.925 -15.431 9.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.450 -13.826 9.832 1.00 0.00 H new ATOM 1057 N ALA A 68 12.610 -11.474 3.040 1.00 0.00 N ATOM 1058 CA ALA A 68 13.556 -10.556 2.416 1.00 0.00 C ATOM 1059 C ALA A 68 12.884 -9.727 1.327 1.00 0.00 C ATOM 1060 O ALA A 68 13.269 -8.586 1.074 1.00 0.00 O ATOM 1061 CB ALA A 68 14.737 -11.325 1.843 1.00 0.00 C ATOM 0 H ALA A 68 12.857 -12.460 2.951 1.00 0.00 H new ATOM 0 HA ALA A 68 13.918 -9.872 3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 68 15.435 -10.628 1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.242 -11.866 2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.381 -12.033 1.094 1.00 0.00 H new ATOM 1067 N LYS A 69 11.875 -10.310 0.686 1.00 0.00 N ATOM 1068 CA LYS A 69 11.149 -9.625 -0.377 1.00 0.00 C ATOM 1069 C LYS A 69 10.430 -8.392 0.160 1.00 0.00 C ATOM 1070 O LYS A 69 10.510 -7.310 -0.422 1.00 0.00 O ATOM 1071 CB LYS A 69 10.139 -10.573 -1.026 1.00 0.00 C ATOM 1072 CG LYS A 69 10.747 -11.472 -2.091 1.00 0.00 C ATOM 1073 CD LYS A 69 9.687 -12.003 -3.043 1.00 0.00 C ATOM 1074 CE LYS A 69 9.123 -10.898 -3.922 1.00 0.00 C ATOM 1075 NZ LYS A 69 9.664 -10.959 -5.309 1.00 0.00 N ATOM 0 H LYS A 69 11.542 -11.254 0.884 1.00 0.00 H new ATOM 0 HA LYS A 69 11.872 -9.304 -1.127 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.687 -11.194 -0.253 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.337 -9.986 -1.473 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.497 -10.916 -2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.260 -12.307 -1.614 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.118 -12.784 -3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.880 -12.462 -2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 69 8.036 -10.978 -3.953 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.359 -9.929 -3.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.255 -10.189 -5.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.699 -10.857 -5.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.417 -11.874 -5.738 1.00 0.00 H new ATOM 1089 N TYR A 70 9.726 -8.562 1.275 1.00 0.00 N ATOM 1090 CA TYR A 70 8.992 -7.462 1.891 1.00 0.00 C ATOM 1091 C TYR A 70 9.928 -6.559 2.688 1.00 0.00 C ATOM 1092 O TYR A 70 9.728 -5.346 2.754 1.00 0.00 O ATOM 1093 CB TYR A 70 7.889 -8.005 2.801 1.00 0.00 C ATOM 1094 CG TYR A 70 7.059 -9.096 2.164 1.00 0.00 C ATOM 1095 CD1 TYR A 70 6.087 -8.793 1.219 1.00 0.00 C ATOM 1096 CD2 TYR A 70 7.248 -10.429 2.506 1.00 0.00 C ATOM 1097 CE1 TYR A 70 5.326 -9.786 0.634 1.00 0.00 C ATOM 1098 CE2 TYR A 70 6.492 -11.429 1.925 1.00 0.00 C ATOM 1099 CZ TYR A 70 5.533 -11.103 0.989 1.00 0.00 C ATOM 1100 OH TYR A 70 4.778 -12.095 0.408 1.00 0.00 O ATOM 0 H TYR A 70 9.648 -9.450 1.770 1.00 0.00 H new ATOM 0 HA TYR A 70 8.539 -6.870 1.095 1.00 0.00 H new ATOM 0 HB2 TYR A 70 8.341 -8.391 3.715 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.233 -7.184 3.092 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.924 -7.763 0.937 1.00 0.00 H new ATOM 0 HD2 TYR A 70 7.998 -10.688 3.238 1.00 0.00 H new ATOM 0 HE1 TYR A 70 4.573 -9.533 -0.097 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.651 -12.461 2.202 1.00 0.00 H new ATOM 0 HH TYR A 70 5.050 -12.966 0.767 1.00 0.00 H new ATOM 1110 N LYS A 71 10.948 -7.159 3.292 1.00 0.00 N ATOM 1111 CA LYS A 71 11.915 -6.408 4.085 1.00 0.00 C ATOM 1112 C LYS A 71 12.615 -5.351 3.236 1.00 0.00 C ATOM 1113 O LYS A 71 12.749 -4.199 3.649 1.00 0.00 O ATOM 1114 CB LYS A 71 12.948 -7.358 4.699 1.00 0.00 C ATOM 1115 CG LYS A 71 12.816 -7.507 6.206 1.00 0.00 C ATOM 1116 CD LYS A 71 13.680 -8.642 6.732 1.00 0.00 C ATOM 1117 CE LYS A 71 13.077 -9.269 7.978 1.00 0.00 C ATOM 1118 NZ LYS A 71 12.677 -8.242 8.979 1.00 0.00 N ATOM 0 H LYS A 71 11.127 -8.162 3.248 1.00 0.00 H new ATOM 0 HA LYS A 71 11.376 -5.901 4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.848 -8.339 4.235 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.948 -6.995 4.464 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.104 -6.574 6.691 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.773 -7.692 6.464 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.794 -9.402 5.959 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.678 -8.266 6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.207 -9.863 7.700 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.799 -9.951 8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.463 -8.705 9.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.455 -7.565 9.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.833 -7.737 8.640 1.00 0.00 H new ATOM 1132 N ALA A 72 13.060 -5.750 2.049 1.00 0.00 N ATOM 1133 CA ALA A 72 13.746 -4.836 1.144 1.00 0.00 C ATOM 1134 C ALA A 72 12.830 -3.697 0.711 1.00 0.00 C ATOM 1135 O ALA A 72 13.269 -2.556 0.561 1.00 0.00 O ATOM 1136 CB ALA A 72 14.266 -5.590 -0.071 1.00 0.00 C ATOM 0 H ALA A 72 12.958 -6.700 1.692 1.00 0.00 H new ATOM 0 HA ALA A 72 14.591 -4.401 1.679 1.00 0.00 H new ATOM 0 HB1 ALA A 72 14.776 -4.896 -0.739 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.964 -6.363 0.252 1.00 0.00 H new ATOM 0 HB3 ALA A 72 13.431 -6.052 -0.597 1.00 0.00 H new ATOM 1142 N ARG A 73 11.555 -4.014 0.510 1.00 0.00 N ATOM 1143 CA ARG A 73 10.576 -3.016 0.093 1.00 0.00 C ATOM 1144 C ARG A 73 10.327 -1.993 1.198 1.00 0.00 C ATOM 1145 O ARG A 73 9.894 -0.872 0.930 1.00 0.00 O ATOM 1146 CB ARG A 73 9.260 -3.696 -0.295 1.00 0.00 C ATOM 1147 CG ARG A 73 9.327 -4.438 -1.619 1.00 0.00 C ATOM 1148 CD ARG A 73 8.156 -5.394 -1.782 1.00 0.00 C ATOM 1149 NE ARG A 73 8.197 -6.097 -3.062 1.00 0.00 N ATOM 1150 CZ ARG A 73 7.146 -6.706 -3.606 1.00 0.00 C ATOM 1151 NH1 ARG A 73 5.973 -6.702 -2.985 1.00 0.00 N ATOM 1152 NH2 ARG A 73 7.269 -7.322 -4.775 1.00 0.00 N ATOM 0 H ARG A 73 11.176 -4.953 0.629 1.00 0.00 H new ATOM 0 HA ARG A 73 10.979 -2.491 -0.774 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.977 -4.396 0.491 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.474 -2.943 -0.349 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.329 -3.721 -2.440 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.263 -4.994 -1.679 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.165 -6.120 -0.969 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.221 -4.839 -1.703 1.00 0.00 H new ATOM 0 HE ARG A 73 9.082 -6.123 -3.568 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.873 -6.231 -2.086 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.171 -7.170 -3.407 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.169 -7.329 -5.256 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.464 -7.789 -5.193 1.00 0.00 H new ATOM 1166 N GLU A 74 10.600 -2.384 2.439 1.00 0.00 N ATOM 1167 CA GLU A 74 10.403 -1.499 3.583 1.00 0.00 C ATOM 1168 C GLU A 74 11.170 -0.192 3.404 1.00 0.00 C ATOM 1169 O GLU A 74 10.604 0.893 3.525 1.00 0.00 O ATOM 1170 CB GLU A 74 10.848 -2.192 4.872 1.00 0.00 C ATOM 1171 CG GLU A 74 10.684 -1.333 6.115 1.00 0.00 C ATOM 1172 CD GLU A 74 11.971 -0.637 6.516 1.00 0.00 C ATOM 1173 OE1 GLU A 74 12.899 -1.329 6.984 1.00 0.00 O ATOM 1174 OE2 GLU A 74 12.048 0.601 6.362 1.00 0.00 O ATOM 0 H GLU A 74 10.959 -3.308 2.679 1.00 0.00 H new ATOM 0 HA GLU A 74 9.340 -1.267 3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.274 -3.110 4.997 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.895 -2.481 4.776 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.911 -0.585 5.936 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.340 -1.956 6.940 1.00 0.00 H new ATOM 1181 N ALA A 75 12.463 -0.305 3.118 1.00 0.00 N ATOM 1182 CA ALA A 75 13.309 0.868 2.925 1.00 0.00 C ATOM 1183 C ALA A 75 12.788 1.749 1.794 1.00 0.00 C ATOM 1184 O ALA A 75 13.014 2.959 1.784 1.00 0.00 O ATOM 1185 CB ALA A 75 14.743 0.441 2.647 1.00 0.00 C ATOM 0 H ALA A 75 12.948 -1.196 3.015 1.00 0.00 H new ATOM 0 HA ALA A 75 13.285 1.456 3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.365 1.325 2.505 1.00 0.00 H new ATOM 0 HB2 ALA A 75 15.121 -0.136 3.491 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.772 -0.172 1.746 1.00 0.00 H new ATOM 1191 N ALA A 76 12.093 1.136 0.842 1.00 0.00 N ATOM 1192 CA ALA A 76 11.544 1.868 -0.295 1.00 0.00 C ATOM 1193 C ALA A 76 10.173 2.450 0.030 1.00 0.00 C ATOM 1194 O ALA A 76 9.779 3.478 -0.520 1.00 0.00 O ATOM 1195 CB ALA A 76 11.459 0.961 -1.513 1.00 0.00 C ATOM 0 H ALA A 76 11.896 0.135 0.834 1.00 0.00 H new ATOM 0 HA ALA A 76 12.215 2.698 -0.517 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.048 1.519 -2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.455 0.601 -1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.813 0.112 -1.290 1.00 0.00 H new ATOM 1201 N LEU A 77 9.446 1.785 0.923 1.00 0.00 N ATOM 1202 CA LEU A 77 8.117 2.239 1.315 1.00 0.00 C ATOM 1203 C LEU A 77 8.193 3.226 2.476 1.00 0.00 C ATOM 1204 O LEU A 77 7.346 4.108 2.610 1.00 0.00 O ATOM 1205 CB LEU A 77 7.242 1.045 1.704 1.00 0.00 C ATOM 1206 CG LEU A 77 6.940 0.066 0.567 1.00 0.00 C ATOM 1207 CD1 LEU A 77 6.296 -1.201 1.108 1.00 0.00 C ATOM 1208 CD2 LEU A 77 6.042 0.721 -0.472 1.00 0.00 C ATOM 0 H LEU A 77 9.755 0.931 1.388 1.00 0.00 H new ATOM 0 HA LEU A 77 7.671 2.748 0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.734 0.501 2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.298 1.419 2.101 1.00 0.00 H new ATOM 0 HG LEU A 77 7.880 -0.207 0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.089 -1.884 0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.973 -1.680 1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.364 -0.948 1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.836 0.012 -1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.104 1.022 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.541 1.599 -0.883 1.00 0.00 H new ATOM 1220 N LYS A 78 9.212 3.069 3.315 1.00 0.00 N ATOM 1221 CA LYS A 78 9.395 3.947 4.466 1.00 0.00 C ATOM 1222 C LYS A 78 9.758 5.362 4.023 1.00 0.00 C ATOM 1223 O LYS A 78 9.416 6.338 4.690 1.00 0.00 O ATOM 1224 CB LYS A 78 10.484 3.391 5.389 1.00 0.00 C ATOM 1225 CG LYS A 78 9.936 2.722 6.639 1.00 0.00 C ATOM 1226 CD LYS A 78 9.266 3.727 7.561 1.00 0.00 C ATOM 1227 CE LYS A 78 9.564 3.429 9.021 1.00 0.00 C ATOM 1228 NZ LYS A 78 9.114 4.530 9.917 1.00 0.00 N ATOM 0 H LYS A 78 9.923 2.343 3.220 1.00 0.00 H new ATOM 0 HA LYS A 78 8.452 3.990 5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.086 2.670 4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.149 4.203 5.683 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.218 1.952 6.356 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.746 2.223 7.171 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.610 4.732 7.316 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.188 3.710 7.398 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.070 2.501 9.310 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.635 3.273 9.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.336 4.287 10.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.604 5.410 9.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.087 4.663 9.815 1.00 0.00 H new