USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 756 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 24 MET CE :methyl -166:sc= 0 (180deg=-0.0228) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= 1.8 (180deg=1.54) USER MOD Single : A 31 GLN : amide:sc= 0.288 X(o=0.29,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 38 LYS NZ :NH3+ 156:sc= 0.436 (180deg=0.197) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -2.61! K(o=-2.6!,f=-0.48) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -3.41! C(o=-3.4!,f=-5.2!) USER MOD Single : A 72 THR OG1 : rot -38:sc= 0.0704 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -170:sc= -1.15 USER MOD Single : A 84 TYR OH : rot 30:sc= -0.162 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 CYS SG : rot 71:sc= -1.54! USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ -153:sc= 0.105 (180deg=-0.134) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 296 N ARG A 22 -8.773 28.863 -16.607 1.00 0.00 N ATOM 297 CA ARG A 22 -9.951 28.655 -17.479 1.00 0.00 C ATOM 298 C ARG A 22 -11.167 28.212 -16.648 1.00 0.00 C ATOM 299 O ARG A 22 -10.995 27.593 -15.586 1.00 0.00 O ATOM 300 CB ARG A 22 -9.645 27.602 -18.579 1.00 0.00 C ATOM 301 CG ARG A 22 -8.531 28.017 -19.553 1.00 0.00 C ATOM 302 CD ARG A 22 -8.405 27.065 -20.747 1.00 0.00 C ATOM 303 NE ARG A 22 -7.287 27.454 -21.624 1.00 0.00 N ATOM 304 CZ ARG A 22 -7.372 27.662 -22.946 1.00 0.00 C ATOM 305 NH1 ARG A 22 -8.536 27.569 -23.575 1.00 0.00 N ATOM 306 NH2 ARG A 22 -6.284 27.984 -23.630 1.00 0.00 N ATOM 0 HA ARG A 22 -10.183 29.604 -17.963 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.364 26.664 -18.101 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.556 27.410 -19.146 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.729 29.025 -19.917 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.581 28.051 -19.019 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.252 26.047 -20.389 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.335 27.067 -21.316 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.372 27.575 -21.189 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.381 27.337 -23.053 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.586 27.730 -24.581 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.388 28.072 -23.151 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.342 28.143 -24.636 1.00 0.00 H new ATOM 320 N PRO A 23 -12.427 28.541 -17.109 1.00 0.00 N ATOM 321 CA PRO A 23 -13.668 28.050 -16.471 1.00 0.00 C ATOM 322 C PRO A 23 -13.761 26.512 -16.558 1.00 0.00 C ATOM 323 O PRO A 23 -13.469 25.912 -17.600 1.00 0.00 O ATOM 324 CB PRO A 23 -14.806 28.735 -17.281 1.00 0.00 C ATOM 325 CG PRO A 23 -14.173 29.062 -18.601 1.00 0.00 C ATOM 326 CD PRO A 23 -12.740 29.415 -18.279 1.00 0.00 C ATOM 0 HA PRO A 23 -13.718 28.287 -15.408 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -15.662 28.072 -17.403 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -15.167 29.633 -16.779 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -14.225 28.214 -19.283 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -14.683 29.894 -19.087 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.077 29.214 -19.120 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.631 30.471 -18.033 1.00 0.00 H new ATOM 334 N MET A 24 -14.142 25.897 -15.442 1.00 0.00 N ATOM 335 CA MET A 24 -14.272 24.438 -15.315 1.00 0.00 C ATOM 336 C MET A 24 -15.695 24.013 -15.711 1.00 0.00 C ATOM 337 O MET A 24 -16.541 24.875 -16.020 1.00 0.00 O ATOM 338 CB MET A 24 -13.955 24.044 -13.852 1.00 0.00 C ATOM 339 CG MET A 24 -12.615 24.572 -13.326 1.00 0.00 C ATOM 340 SD MET A 24 -12.419 24.297 -11.558 1.00 0.00 S ATOM 341 CE MET A 24 -10.909 25.196 -11.226 1.00 0.00 C ATOM 0 H MET A 24 -14.374 26.400 -14.585 1.00 0.00 H new ATOM 0 HA MET A 24 -13.573 23.929 -15.979 1.00 0.00 H new ATOM 0 HB2 MET A 24 -14.754 24.413 -13.209 1.00 0.00 H new ATOM 0 HB3 MET A 24 -13.959 22.957 -13.773 1.00 0.00 H new ATOM 0 HG2 MET A 24 -11.800 24.084 -13.860 1.00 0.00 H new ATOM 0 HG3 MET A 24 -12.540 25.639 -13.536 1.00 0.00 H new ATOM 0 HE1 MET A 24 -10.528 24.917 -10.243 1.00 0.00 H new ATOM 0 HE2 MET A 24 -10.166 24.953 -11.986 1.00 0.00 H new ATOM 0 HE3 MET A 24 -11.111 26.267 -11.246 1.00 0.00 H new ATOM 351 N SER A 25 -15.966 22.696 -15.706 1.00 0.00 N ATOM 352 CA SER A 25 -17.305 22.182 -16.010 1.00 0.00 C ATOM 353 C SER A 25 -18.268 22.552 -14.865 1.00 0.00 C ATOM 354 O SER A 25 -17.948 22.354 -13.678 1.00 0.00 O ATOM 355 CB SER A 25 -17.271 20.652 -16.225 1.00 0.00 C ATOM 356 OG SER A 25 -16.399 20.302 -17.287 1.00 0.00 O ATOM 0 H SER A 25 -15.276 21.974 -15.495 1.00 0.00 H new ATOM 0 HA SER A 25 -17.659 22.637 -16.935 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.947 20.160 -15.308 1.00 0.00 H new ATOM 0 HB3 SER A 25 -18.276 20.290 -16.442 1.00 0.00 H new ATOM 0 HG SER A 25 -16.395 19.329 -17.400 1.00 0.00 H new ATOM 362 N TYR A 26 -19.436 23.098 -15.250 1.00 0.00 N ATOM 363 CA TYR A 26 -20.508 23.507 -14.316 1.00 0.00 C ATOM 364 C TYR A 26 -21.006 22.307 -13.486 1.00 0.00 C ATOM 365 O TYR A 26 -21.461 22.482 -12.360 1.00 0.00 O ATOM 366 CB TYR A 26 -21.684 24.169 -15.096 1.00 0.00 C ATOM 367 CG TYR A 26 -22.334 23.271 -16.176 1.00 0.00 C ATOM 368 CD1 TYR A 26 -23.508 22.546 -15.925 1.00 0.00 C ATOM 369 CD2 TYR A 26 -21.760 23.139 -17.446 1.00 0.00 C ATOM 370 CE1 TYR A 26 -24.076 21.737 -16.894 1.00 0.00 C ATOM 371 CE2 TYR A 26 -22.328 22.333 -18.412 1.00 0.00 C ATOM 372 CZ TYR A 26 -23.481 21.632 -18.134 1.00 0.00 C ATOM 373 OH TYR A 26 -24.043 20.828 -19.102 1.00 0.00 O ATOM 0 H TYR A 26 -19.667 23.271 -16.228 1.00 0.00 H new ATOM 0 HA TYR A 26 -20.096 24.242 -13.624 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -22.452 24.468 -14.382 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -21.319 25.079 -15.572 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -23.979 22.620 -14.956 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -20.853 23.679 -17.675 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -24.982 21.190 -16.680 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -21.868 22.252 -19.386 1.00 0.00 H new ATOM 0 HH TYR A 26 -23.499 20.868 -19.916 1.00 0.00 H new ATOM 383 N ASP A 27 -20.894 21.098 -14.080 1.00 0.00 N ATOM 384 CA ASP A 27 -21.233 19.814 -13.434 1.00 0.00 C ATOM 385 C ASP A 27 -20.445 19.640 -12.133 1.00 0.00 C ATOM 386 O ASP A 27 -21.030 19.418 -11.070 1.00 0.00 O ATOM 387 CB ASP A 27 -20.927 18.629 -14.396 1.00 0.00 C ATOM 388 CG ASP A 27 -21.696 18.725 -15.722 1.00 0.00 C ATOM 389 OD1 ASP A 27 -21.307 19.544 -16.580 1.00 0.00 O ATOM 390 OD2 ASP A 27 -22.700 17.998 -15.907 1.00 0.00 O ATOM 0 H ASP A 27 -20.560 20.987 -15.037 1.00 0.00 H new ATOM 0 HA ASP A 27 -22.298 19.820 -13.201 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.857 18.602 -14.603 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -21.180 17.691 -13.902 1.00 0.00 H new ATOM 395 N GLU A 28 -19.116 19.793 -12.244 1.00 0.00 N ATOM 396 CA GLU A 28 -18.179 19.568 -11.135 1.00 0.00 C ATOM 397 C GLU A 28 -18.497 20.513 -9.961 1.00 0.00 C ATOM 398 O GLU A 28 -18.746 20.065 -8.850 1.00 0.00 O ATOM 399 CB GLU A 28 -16.723 19.824 -11.604 1.00 0.00 C ATOM 400 CG GLU A 28 -16.293 19.086 -12.885 1.00 0.00 C ATOM 401 CD GLU A 28 -14.935 19.580 -13.430 1.00 0.00 C ATOM 402 OE1 GLU A 28 -14.062 18.748 -13.741 1.00 0.00 O ATOM 403 OE2 GLU A 28 -14.750 20.813 -13.556 1.00 0.00 O ATOM 0 H GLU A 28 -18.660 20.078 -13.111 1.00 0.00 H new ATOM 0 HA GLU A 28 -18.284 18.534 -10.807 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -16.596 20.895 -11.764 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -16.046 19.539 -10.798 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -16.231 18.017 -12.680 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -17.057 19.220 -13.650 1.00 0.00 H new ATOM 410 N LYS A 29 -18.533 21.827 -10.276 1.00 0.00 N ATOM 411 CA LYS A 29 -18.649 22.919 -9.287 1.00 0.00 C ATOM 412 C LYS A 29 -20.032 22.969 -8.617 1.00 0.00 C ATOM 413 O LYS A 29 -20.128 23.141 -7.396 1.00 0.00 O ATOM 414 CB LYS A 29 -18.314 24.293 -9.954 1.00 0.00 C ATOM 415 CG LYS A 29 -16.822 24.706 -9.966 1.00 0.00 C ATOM 416 CD LYS A 29 -15.881 23.782 -10.794 1.00 0.00 C ATOM 417 CE LYS A 29 -15.181 22.694 -9.959 1.00 0.00 C ATOM 418 NZ LYS A 29 -14.191 21.917 -10.762 1.00 0.00 N ATOM 0 H LYS A 29 -18.481 22.162 -11.238 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.925 22.713 -8.499 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -18.670 24.269 -10.984 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -18.880 25.070 -9.439 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.746 25.720 -10.359 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -16.462 24.735 -8.938 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -16.461 23.303 -11.583 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.123 24.395 -11.282 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.675 23.158 -9.112 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.929 22.014 -9.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.895 21.075 -10.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.626 21.622 -11.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.361 22.511 -10.959 1.00 0.00 H new ATOM 432 N ARG A 30 -21.099 22.828 -9.417 1.00 0.00 N ATOM 433 CA ARG A 30 -22.484 22.962 -8.918 1.00 0.00 C ATOM 434 C ARG A 30 -22.841 21.786 -7.991 1.00 0.00 C ATOM 435 O ARG A 30 -23.558 21.962 -7.004 1.00 0.00 O ATOM 436 CB ARG A 30 -23.486 23.067 -10.098 1.00 0.00 C ATOM 437 CG ARG A 30 -24.899 23.553 -9.704 1.00 0.00 C ATOM 438 CD ARG A 30 -25.831 23.699 -10.918 1.00 0.00 C ATOM 439 NE ARG A 30 -27.098 24.355 -10.563 1.00 0.00 N ATOM 440 CZ ARG A 30 -28.099 24.626 -11.414 1.00 0.00 C ATOM 441 NH1 ARG A 30 -28.028 24.300 -12.700 1.00 0.00 N ATOM 442 NH2 ARG A 30 -29.168 25.251 -10.963 1.00 0.00 N ATOM 0 H ARG A 30 -21.034 22.621 -10.414 1.00 0.00 H new ATOM 0 HA ARG A 30 -22.553 23.882 -8.338 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -23.077 23.748 -10.844 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -23.572 22.089 -10.572 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -25.337 22.850 -8.996 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -24.820 24.513 -9.193 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -25.328 24.277 -11.694 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -26.037 22.714 -11.337 1.00 0.00 H new ATOM 0 HE ARG A 30 -27.227 24.627 -9.588 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -27.197 23.832 -13.062 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -28.804 24.518 -13.325 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -29.225 25.521 -9.981 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -29.939 25.465 -11.596 1.00 0.00 H new ATOM 456 N GLN A 31 -22.311 20.593 -8.316 1.00 0.00 N ATOM 457 CA GLN A 31 -22.462 19.394 -7.470 1.00 0.00 C ATOM 458 C GLN A 31 -21.466 19.431 -6.287 1.00 0.00 C ATOM 459 O GLN A 31 -21.738 18.851 -5.230 1.00 0.00 O ATOM 460 CB GLN A 31 -22.284 18.113 -8.325 1.00 0.00 C ATOM 461 CG GLN A 31 -23.351 17.950 -9.435 1.00 0.00 C ATOM 462 CD GLN A 31 -23.170 16.671 -10.259 1.00 0.00 C ATOM 463 OE1 GLN A 31 -23.735 15.626 -9.939 1.00 0.00 O ATOM 464 NE2 GLN A 31 -22.385 16.740 -11.323 1.00 0.00 N ATOM 0 H GLN A 31 -21.770 20.433 -9.166 1.00 0.00 H new ATOM 0 HA GLN A 31 -23.467 19.382 -7.049 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -21.295 18.128 -8.784 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -22.318 17.242 -7.670 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -24.342 17.945 -8.981 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -23.310 18.813 -10.100 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -21.929 17.620 -11.564 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -22.236 15.913 -11.901 1.00 0.00 H new ATOM 473 N LEU A 32 -20.329 20.146 -6.476 1.00 0.00 N ATOM 474 CA LEU A 32 -19.324 20.380 -5.407 1.00 0.00 C ATOM 475 C LEU A 32 -19.938 21.223 -4.276 1.00 0.00 C ATOM 476 O LEU A 32 -19.561 21.064 -3.126 1.00 0.00 O ATOM 477 CB LEU A 32 -18.054 21.087 -5.973 1.00 0.00 C ATOM 478 CG LEU A 32 -16.900 21.403 -4.960 1.00 0.00 C ATOM 479 CD1 LEU A 32 -16.291 20.113 -4.360 1.00 0.00 C ATOM 480 CD2 LEU A 32 -15.816 22.289 -5.622 1.00 0.00 C ATOM 0 H LEU A 32 -20.083 20.575 -7.368 1.00 0.00 H new ATOM 0 HA LEU A 32 -19.024 19.411 -5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.645 20.462 -6.767 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -18.366 22.024 -6.433 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.332 21.963 -4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.495 20.376 -3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -17.065 19.556 -3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.883 19.497 -5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.025 22.496 -4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.396 21.768 -6.482 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -16.263 23.228 -5.949 1.00 0.00 H new ATOM 492 N SER A 33 -20.899 22.106 -4.629 1.00 0.00 N ATOM 493 CA SER A 33 -21.640 22.944 -3.659 1.00 0.00 C ATOM 494 C SER A 33 -22.355 22.077 -2.595 1.00 0.00 C ATOM 495 O SER A 33 -22.454 22.467 -1.427 1.00 0.00 O ATOM 496 CB SER A 33 -22.661 23.837 -4.403 1.00 0.00 C ATOM 497 OG SER A 33 -23.312 24.745 -3.525 1.00 0.00 O ATOM 0 H SER A 33 -21.183 22.258 -5.597 1.00 0.00 H new ATOM 0 HA SER A 33 -20.921 23.579 -3.140 1.00 0.00 H new ATOM 0 HB2 SER A 33 -22.151 24.395 -5.188 1.00 0.00 H new ATOM 0 HB3 SER A 33 -23.405 23.208 -4.891 1.00 0.00 H new ATOM 0 HG SER A 33 -23.947 25.292 -4.032 1.00 0.00 H new ATOM 503 N LEU A 34 -22.818 20.886 -3.022 1.00 0.00 N ATOM 504 CA LEU A 34 -23.480 19.903 -2.142 1.00 0.00 C ATOM 505 C LEU A 34 -22.444 19.191 -1.240 1.00 0.00 C ATOM 506 O LEU A 34 -22.772 18.763 -0.132 1.00 0.00 O ATOM 507 CB LEU A 34 -24.300 18.871 -2.980 1.00 0.00 C ATOM 508 CG LEU A 34 -25.623 19.383 -3.656 1.00 0.00 C ATOM 509 CD1 LEU A 34 -26.600 19.972 -2.616 1.00 0.00 C ATOM 510 CD2 LEU A 34 -25.347 20.381 -4.804 1.00 0.00 C ATOM 0 H LEU A 34 -22.743 20.577 -3.991 1.00 0.00 H new ATOM 0 HA LEU A 34 -24.177 20.437 -1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -23.650 18.480 -3.763 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -24.555 18.034 -2.330 1.00 0.00 H new ATOM 0 HG LEU A 34 -26.104 18.513 -4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -27.503 20.316 -3.119 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -26.861 19.205 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -26.127 20.811 -2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -26.292 20.706 -5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -24.811 21.246 -4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -24.743 19.896 -5.570 1.00 0.00 H new ATOM 522 N ASP A 35 -21.199 19.068 -1.734 1.00 0.00 N ATOM 523 CA ASP A 35 -20.063 18.514 -0.954 1.00 0.00 C ATOM 524 C ASP A 35 -19.525 19.537 0.060 1.00 0.00 C ATOM 525 O ASP A 35 -18.987 19.155 1.107 1.00 0.00 O ATOM 526 CB ASP A 35 -18.933 18.037 -1.900 1.00 0.00 C ATOM 527 CG ASP A 35 -19.301 16.744 -2.638 1.00 0.00 C ATOM 528 OD1 ASP A 35 -19.111 15.649 -2.056 1.00 0.00 O ATOM 529 OD2 ASP A 35 -19.805 16.809 -3.780 1.00 0.00 O ATOM 0 H ASP A 35 -20.946 19.347 -2.682 1.00 0.00 H new ATOM 0 HA ASP A 35 -20.433 17.655 -0.394 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -18.716 18.819 -2.628 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -18.022 17.877 -1.323 1.00 0.00 H new ATOM 534 N ILE A 36 -19.669 20.830 -0.268 1.00 0.00 N ATOM 535 CA ILE A 36 -19.342 21.937 0.651 1.00 0.00 C ATOM 536 C ILE A 36 -20.431 22.029 1.737 1.00 0.00 C ATOM 537 O ILE A 36 -20.152 22.345 2.888 1.00 0.00 O ATOM 538 CB ILE A 36 -19.229 23.314 -0.121 1.00 0.00 C ATOM 539 CG1 ILE A 36 -18.171 23.230 -1.273 1.00 0.00 C ATOM 540 CG2 ILE A 36 -18.900 24.495 0.837 1.00 0.00 C ATOM 541 CD1 ILE A 36 -18.201 24.400 -2.248 1.00 0.00 C ATOM 0 H ILE A 36 -20.015 21.140 -1.176 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.374 21.734 1.109 1.00 0.00 H new ATOM 0 HB ILE A 36 -20.206 23.511 -0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -17.176 23.168 -0.831 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -18.331 22.306 -1.829 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -18.832 25.420 0.264 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -19.688 24.588 1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -17.949 24.306 1.335 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.436 24.258 -3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -19.181 24.453 -2.723 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -18.008 25.328 -1.709 1.00 0.00 H new ATOM 553 N ASN A 37 -21.671 21.696 1.339 1.00 0.00 N ATOM 554 CA ASN A 37 -22.853 21.685 2.228 1.00 0.00 C ATOM 555 C ASN A 37 -22.697 20.639 3.367 1.00 0.00 C ATOM 556 O ASN A 37 -23.311 20.773 4.433 1.00 0.00 O ATOM 557 CB ASN A 37 -24.112 21.392 1.363 1.00 0.00 C ATOM 558 CG ASN A 37 -25.444 21.521 2.106 1.00 0.00 C ATOM 559 OD1 ASN A 37 -25.583 22.324 3.016 1.00 0.00 O ATOM 560 ND2 ASN A 37 -26.444 20.755 1.692 1.00 0.00 N ATOM 0 H ASN A 37 -21.887 21.423 0.380 1.00 0.00 H new ATOM 0 HA ASN A 37 -22.956 22.657 2.711 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -24.118 22.074 0.513 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -24.032 20.382 0.961 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -27.359 20.827 2.136 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -26.298 20.093 0.930 1.00 0.00 H new ATOM 567 N LYS A 38 -21.839 19.616 3.129 1.00 0.00 N ATOM 568 CA LYS A 38 -21.553 18.539 4.111 1.00 0.00 C ATOM 569 C LYS A 38 -20.667 19.049 5.264 1.00 0.00 C ATOM 570 O LYS A 38 -20.674 18.483 6.362 1.00 0.00 O ATOM 571 CB LYS A 38 -20.841 17.351 3.416 1.00 0.00 C ATOM 572 CG LYS A 38 -21.599 16.773 2.207 1.00 0.00 C ATOM 573 CD LYS A 38 -20.865 15.573 1.569 1.00 0.00 C ATOM 574 CE LYS A 38 -21.619 14.983 0.371 1.00 0.00 C ATOM 575 NZ LYS A 38 -20.854 13.894 -0.287 1.00 0.00 N ATOM 0 H LYS A 38 -21.327 19.514 2.253 1.00 0.00 H new ATOM 0 HA LYS A 38 -22.508 18.211 4.521 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -19.854 17.677 3.088 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -20.688 16.557 4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -22.595 16.460 2.522 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -21.732 17.554 1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.873 15.889 1.248 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -20.724 14.797 2.322 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -22.583 14.599 0.703 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -21.823 15.772 -0.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -21.510 13.267 -0.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -20.176 14.304 -0.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -20.339 13.347 0.433 1.00 0.00 H new ATOM 589 N LEU A 39 -19.906 20.112 4.984 1.00 0.00 N ATOM 590 CA LEU A 39 -19.056 20.791 5.975 1.00 0.00 C ATOM 591 C LEU A 39 -19.947 21.638 6.926 1.00 0.00 C ATOM 592 O LEU A 39 -21.039 22.049 6.514 1.00 0.00 O ATOM 593 CB LEU A 39 -18.020 21.677 5.224 1.00 0.00 C ATOM 594 CG LEU A 39 -17.112 20.930 4.190 1.00 0.00 C ATOM 595 CD1 LEU A 39 -16.233 21.913 3.376 1.00 0.00 C ATOM 596 CD2 LEU A 39 -16.253 19.848 4.886 1.00 0.00 C ATOM 0 H LEU A 39 -19.860 20.531 4.055 1.00 0.00 H new ATOM 0 HA LEU A 39 -18.516 20.064 6.581 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -18.557 22.469 4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -17.379 22.159 5.962 1.00 0.00 H new ATOM 0 HG LEU A 39 -17.771 20.430 3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -15.619 21.353 2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -16.873 22.606 2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -15.588 22.472 4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -15.632 19.344 4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.616 20.316 5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -16.905 19.120 5.368 1.00 0.00 H new ATOM 608 N PRO A 40 -19.523 21.894 8.215 1.00 0.00 N ATOM 609 CA PRO A 40 -20.313 22.726 9.168 1.00 0.00 C ATOM 610 C PRO A 40 -20.399 24.204 8.712 1.00 0.00 C ATOM 611 O PRO A 40 -19.548 24.659 7.946 1.00 0.00 O ATOM 612 CB PRO A 40 -19.536 22.578 10.505 1.00 0.00 C ATOM 613 CG PRO A 40 -18.130 22.246 10.093 1.00 0.00 C ATOM 614 CD PRO A 40 -18.264 21.395 8.844 1.00 0.00 C ATOM 0 HA PRO A 40 -21.352 22.405 9.245 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -19.571 23.499 11.088 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -19.963 21.791 11.126 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -17.556 23.151 9.892 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -17.607 21.705 10.882 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -17.408 21.518 8.181 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -18.329 20.334 9.086 1.00 0.00 H new ATOM 622 N GLY A 41 -21.432 24.933 9.192 1.00 0.00 N ATOM 623 CA GLY A 41 -21.711 26.316 8.751 1.00 0.00 C ATOM 624 C GLY A 41 -20.529 27.265 8.937 1.00 0.00 C ATOM 625 O GLY A 41 -20.270 28.114 8.080 1.00 0.00 O ATOM 0 H GLY A 41 -22.089 24.582 9.889 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -21.994 26.303 7.699 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -22.566 26.700 9.307 1.00 0.00 H new ATOM 629 N GLU A 42 -19.806 27.082 10.055 1.00 0.00 N ATOM 630 CA GLU A 42 -18.582 27.843 10.388 1.00 0.00 C ATOM 631 C GLU A 42 -17.485 27.674 9.307 1.00 0.00 C ATOM 632 O GLU A 42 -16.703 28.595 9.059 1.00 0.00 O ATOM 633 CB GLU A 42 -18.054 27.382 11.771 1.00 0.00 C ATOM 634 CG GLU A 42 -17.805 25.862 11.877 1.00 0.00 C ATOM 635 CD GLU A 42 -17.146 25.449 13.198 1.00 0.00 C ATOM 636 OE1 GLU A 42 -15.900 25.462 13.278 1.00 0.00 O ATOM 637 OE2 GLU A 42 -17.861 25.117 14.160 1.00 0.00 O ATOM 0 H GLU A 42 -20.056 26.393 10.764 1.00 0.00 H new ATOM 0 HA GLU A 42 -18.836 28.902 10.423 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -17.124 27.907 11.986 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -18.771 27.676 12.538 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -18.754 25.337 11.772 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -17.172 25.545 11.048 1.00 0.00 H new ATOM 644 N LYS A 43 -17.477 26.498 8.648 1.00 0.00 N ATOM 645 CA LYS A 43 -16.486 26.153 7.609 1.00 0.00 C ATOM 646 C LYS A 43 -16.887 26.811 6.285 1.00 0.00 C ATOM 647 O LYS A 43 -16.023 27.270 5.530 1.00 0.00 O ATOM 648 CB LYS A 43 -16.413 24.607 7.429 1.00 0.00 C ATOM 649 CG LYS A 43 -15.317 24.071 6.454 1.00 0.00 C ATOM 650 CD LYS A 43 -13.959 23.773 7.138 1.00 0.00 C ATOM 651 CE LYS A 43 -13.189 25.021 7.594 1.00 0.00 C ATOM 652 NZ LYS A 43 -11.981 24.659 8.383 1.00 0.00 N ATOM 0 H LYS A 43 -18.159 25.759 8.822 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.505 26.517 7.915 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.249 24.157 8.408 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -17.384 24.258 7.077 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.681 23.160 5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.161 24.803 5.661 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.135 23.134 8.003 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.334 23.208 6.446 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.894 25.606 6.723 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.842 25.653 8.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.485 25.525 8.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.266 24.122 9.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.347 24.077 7.800 1.00 0.00 H new ATOM 666 N LEU A 44 -18.216 26.886 6.039 1.00 0.00 N ATOM 667 CA LEU A 44 -18.780 27.610 4.882 1.00 0.00 C ATOM 668 C LEU A 44 -18.492 29.110 5.023 1.00 0.00 C ATOM 669 O LEU A 44 -18.238 29.769 4.038 1.00 0.00 O ATOM 670 CB LEU A 44 -20.316 27.364 4.711 1.00 0.00 C ATOM 671 CG LEU A 44 -20.745 26.005 4.056 1.00 0.00 C ATOM 672 CD1 LEU A 44 -20.314 24.797 4.899 1.00 0.00 C ATOM 673 CD2 LEU A 44 -22.270 25.975 3.777 1.00 0.00 C ATOM 0 H LEU A 44 -18.920 26.449 6.634 1.00 0.00 H new ATOM 0 HA LEU A 44 -18.298 27.223 3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -20.782 27.430 5.694 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -20.725 28.175 4.109 1.00 0.00 H new ATOM 0 HG LEU A 44 -20.224 25.932 3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -20.632 23.878 4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -19.229 24.795 5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -20.774 24.859 5.885 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -22.538 25.021 3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -22.814 26.097 4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -22.532 26.786 3.098 1.00 0.00 H new ATOM 685 N GLY A 45 -18.502 29.617 6.272 1.00 0.00 N ATOM 686 CA GLY A 45 -18.224 31.033 6.543 1.00 0.00 C ATOM 687 C GLY A 45 -16.771 31.427 6.271 1.00 0.00 C ATOM 688 O GLY A 45 -16.472 32.609 6.058 1.00 0.00 O ATOM 0 H GLY A 45 -18.700 29.063 7.106 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.881 31.649 5.929 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -18.463 31.250 7.584 1.00 0.00 H new ATOM 692 N ARG A 46 -15.870 30.425 6.264 1.00 0.00 N ATOM 693 CA ARG A 46 -14.447 30.616 5.918 1.00 0.00 C ATOM 694 C ARG A 46 -14.272 30.573 4.388 1.00 0.00 C ATOM 695 O ARG A 46 -13.503 31.356 3.818 1.00 0.00 O ATOM 696 CB ARG A 46 -13.574 29.526 6.590 1.00 0.00 C ATOM 697 CG ARG A 46 -13.671 29.425 8.135 1.00 0.00 C ATOM 698 CD ARG A 46 -13.228 30.700 8.904 1.00 0.00 C ATOM 699 NE ARG A 46 -14.224 31.794 8.853 1.00 0.00 N ATOM 700 CZ ARG A 46 -15.300 31.909 9.655 1.00 0.00 C ATOM 701 NH1 ARG A 46 -15.567 31.003 10.588 1.00 0.00 N ATOM 702 NH2 ARG A 46 -16.106 32.946 9.510 1.00 0.00 N ATOM 0 H ARG A 46 -16.108 29.461 6.498 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.123 31.589 6.286 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.847 28.560 6.166 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.533 29.709 6.324 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.702 29.195 8.405 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.060 28.587 8.469 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.039 30.440 9.945 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.286 31.057 8.488 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.084 32.521 8.152 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.951 30.199 10.709 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.388 31.111 11.184 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.910 33.648 8.797 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.924 33.044 10.111 1.00 0.00 H new ATOM 716 N VAL A 47 -15.001 29.632 3.752 1.00 0.00 N ATOM 717 CA VAL A 47 -15.054 29.486 2.283 1.00 0.00 C ATOM 718 C VAL A 47 -15.593 30.783 1.641 1.00 0.00 C ATOM 719 O VAL A 47 -15.022 31.305 0.690 1.00 0.00 O ATOM 720 CB VAL A 47 -15.958 28.254 1.868 1.00 0.00 C ATOM 721 CG1 VAL A 47 -16.195 28.193 0.341 1.00 0.00 C ATOM 722 CG2 VAL A 47 -15.356 26.922 2.380 1.00 0.00 C ATOM 0 H VAL A 47 -15.573 28.948 4.247 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.043 29.302 1.921 1.00 0.00 H new ATOM 0 HB VAL A 47 -16.928 28.400 2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.820 27.332 0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -16.694 29.105 0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.238 28.099 -0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -15.998 26.094 2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -14.362 26.784 1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -15.283 26.950 3.467 1.00 0.00 H new ATOM 732 N VAL A 48 -16.683 31.303 2.214 1.00 0.00 N ATOM 733 CA VAL A 48 -17.353 32.526 1.743 1.00 0.00 C ATOM 734 C VAL A 48 -16.456 33.752 1.941 1.00 0.00 C ATOM 735 O VAL A 48 -16.523 34.690 1.154 1.00 0.00 O ATOM 736 CB VAL A 48 -18.739 32.720 2.472 1.00 0.00 C ATOM 737 CG1 VAL A 48 -19.357 34.119 2.225 1.00 0.00 C ATOM 738 CG2 VAL A 48 -19.721 31.603 2.051 1.00 0.00 C ATOM 0 H VAL A 48 -17.133 30.884 3.028 1.00 0.00 H new ATOM 0 HA VAL A 48 -17.543 32.418 0.675 1.00 0.00 H new ATOM 0 HB VAL A 48 -18.552 32.651 3.544 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -20.309 34.194 2.751 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -18.677 34.887 2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -19.520 34.261 1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -20.674 31.746 2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -19.876 31.642 0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -19.306 30.632 2.323 1.00 0.00 H new ATOM 748 N HIS A 49 -15.612 33.729 2.989 1.00 0.00 N ATOM 749 CA HIS A 49 -14.685 34.833 3.269 1.00 0.00 C ATOM 750 C HIS A 49 -13.645 34.982 2.140 1.00 0.00 C ATOM 751 O HIS A 49 -13.476 36.074 1.595 1.00 0.00 O ATOM 752 CB HIS A 49 -13.972 34.640 4.628 1.00 0.00 C ATOM 753 CG HIS A 49 -13.084 35.805 4.985 1.00 0.00 C ATOM 754 ND1 HIS A 49 -11.718 35.723 5.158 1.00 0.00 N ATOM 755 CD2 HIS A 49 -13.410 37.108 5.182 1.00 0.00 C ATOM 756 CE1 HIS A 49 -11.267 36.954 5.437 1.00 0.00 C ATOM 757 NE2 HIS A 49 -12.255 37.830 5.465 1.00 0.00 N ATOM 0 H HIS A 49 -15.555 32.957 3.653 1.00 0.00 H new ATOM 0 HA HIS A 49 -15.276 35.747 3.321 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -14.719 34.504 5.410 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -13.375 33.729 4.595 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -14.407 37.519 5.128 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -10.230 37.198 5.616 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -12.186 38.830 5.655 1.00 0.00 H new ATOM 765 N ILE A 50 -12.976 33.862 1.788 1.00 0.00 N ATOM 766 CA ILE A 50 -11.924 33.846 0.750 1.00 0.00 C ATOM 767 C ILE A 50 -12.520 34.144 -0.651 1.00 0.00 C ATOM 768 O ILE A 50 -11.826 34.662 -1.530 1.00 0.00 O ATOM 769 CB ILE A 50 -11.094 32.499 0.743 1.00 0.00 C ATOM 770 CG1 ILE A 50 -11.949 31.285 0.249 1.00 0.00 C ATOM 771 CG2 ILE A 50 -10.504 32.224 2.156 1.00 0.00 C ATOM 772 CD1 ILE A 50 -11.192 29.972 0.118 1.00 0.00 C ATOM 0 H ILE A 50 -13.149 32.951 2.212 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.223 34.642 1.002 1.00 0.00 H new ATOM 0 HB ILE A 50 -10.274 32.619 0.035 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -12.779 31.140 0.940 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -12.381 31.535 -0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -9.935 31.294 2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -9.848 33.046 2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.315 32.139 2.879 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.871 29.194 -0.230 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -10.379 30.091 -0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.783 29.689 1.088 1.00 0.00 H new ATOM 784 N ILE A 51 -13.803 33.786 -0.848 1.00 0.00 N ATOM 785 CA ILE A 51 -14.548 34.141 -2.069 1.00 0.00 C ATOM 786 C ILE A 51 -14.807 35.665 -2.109 1.00 0.00 C ATOM 787 O ILE A 51 -14.271 36.350 -2.970 1.00 0.00 O ATOM 788 CB ILE A 51 -15.900 33.321 -2.181 1.00 0.00 C ATOM 789 CG1 ILE A 51 -15.591 31.796 -2.373 1.00 0.00 C ATOM 790 CG2 ILE A 51 -16.820 33.847 -3.320 1.00 0.00 C ATOM 791 CD1 ILE A 51 -16.809 30.887 -2.348 1.00 0.00 C ATOM 0 H ILE A 51 -14.347 33.248 -0.173 1.00 0.00 H new ATOM 0 HA ILE A 51 -13.940 33.873 -2.933 1.00 0.00 H new ATOM 0 HB ILE A 51 -16.446 33.461 -1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.075 31.662 -3.324 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.903 31.478 -1.590 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -17.733 33.252 -3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -17.074 34.890 -3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -16.299 33.768 -4.274 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -16.494 29.853 -2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -17.316 30.985 -1.388 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -17.491 31.171 -3.149 1.00 0.00 H new ATOM 803 N GLN A 52 -15.556 36.181 -1.110 1.00 0.00 N ATOM 804 CA GLN A 52 -16.091 37.570 -1.106 1.00 0.00 C ATOM 805 C GLN A 52 -14.969 38.630 -1.043 1.00 0.00 C ATOM 806 O GLN A 52 -15.156 39.752 -1.506 1.00 0.00 O ATOM 807 CB GLN A 52 -17.088 37.775 0.075 1.00 0.00 C ATOM 808 CG GLN A 52 -16.445 37.906 1.471 1.00 0.00 C ATOM 809 CD GLN A 52 -17.465 38.104 2.595 1.00 0.00 C ATOM 810 OE1 GLN A 52 -17.841 39.228 2.914 1.00 0.00 O ATOM 811 NE2 GLN A 52 -17.911 37.013 3.199 1.00 0.00 N ATOM 0 H GLN A 52 -15.810 35.648 -0.278 1.00 0.00 H new ATOM 0 HA GLN A 52 -16.620 37.707 -2.049 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -17.676 38.671 -0.120 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -17.783 36.935 0.091 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -15.857 37.011 1.677 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -15.753 38.748 1.466 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -17.576 36.095 2.907 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -18.590 37.091 3.956 1.00 0.00 H new ATOM 820 N ALA A 53 -13.812 38.253 -0.458 1.00 0.00 N ATOM 821 CA ALA A 53 -12.636 39.141 -0.331 1.00 0.00 C ATOM 822 C ALA A 53 -11.970 39.391 -1.700 1.00 0.00 C ATOM 823 O ALA A 53 -11.291 40.405 -1.889 1.00 0.00 O ATOM 824 CB ALA A 53 -11.631 38.550 0.671 1.00 0.00 C ATOM 0 H ALA A 53 -13.667 37.325 -0.061 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.976 40.106 0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.770 39.212 0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.107 38.447 1.646 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.303 37.571 0.322 1.00 0.00 H new ATOM 830 N ARG A 54 -12.180 38.451 -2.643 1.00 0.00 N ATOM 831 CA ARG A 54 -11.696 38.571 -4.032 1.00 0.00 C ATOM 832 C ARG A 54 -12.825 39.080 -4.960 1.00 0.00 C ATOM 833 O ARG A 54 -12.571 39.846 -5.898 1.00 0.00 O ATOM 834 CB ARG A 54 -11.144 37.204 -4.530 1.00 0.00 C ATOM 835 CG ARG A 54 -10.475 37.277 -5.921 1.00 0.00 C ATOM 836 CD ARG A 54 -9.771 35.978 -6.340 1.00 0.00 C ATOM 837 NE ARG A 54 -9.123 36.131 -7.661 1.00 0.00 N ATOM 838 CZ ARG A 54 -7.950 35.590 -8.030 1.00 0.00 C ATOM 839 NH1 ARG A 54 -7.258 34.812 -7.204 1.00 0.00 N ATOM 840 NH2 ARG A 54 -7.465 35.835 -9.242 1.00 0.00 N ATOM 0 H ARG A 54 -12.690 37.587 -2.462 1.00 0.00 H new ATOM 0 HA ARG A 54 -10.885 39.299 -4.057 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.420 36.829 -3.807 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.961 36.483 -4.566 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.232 37.525 -6.665 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.748 38.090 -5.922 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.024 35.707 -5.593 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.494 35.163 -6.377 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.611 36.698 -8.354 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.615 34.615 -6.269 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.369 34.412 -7.505 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.983 36.431 -9.888 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.575 35.427 -9.527 1.00 0.00 H new ATOM 854 N GLU A 55 -14.073 38.657 -4.674 1.00 0.00 N ATOM 855 CA GLU A 55 -15.260 38.991 -5.493 1.00 0.00 C ATOM 856 C GLU A 55 -15.933 40.271 -4.936 1.00 0.00 C ATOM 857 O GLU A 55 -16.586 40.207 -3.884 1.00 0.00 O ATOM 858 CB GLU A 55 -16.281 37.814 -5.498 1.00 0.00 C ATOM 859 CG GLU A 55 -15.691 36.420 -5.780 1.00 0.00 C ATOM 860 CD GLU A 55 -14.893 36.326 -7.085 1.00 0.00 C ATOM 861 OE1 GLU A 55 -13.650 36.397 -7.036 1.00 0.00 O ATOM 862 OE2 GLU A 55 -15.507 36.176 -8.163 1.00 0.00 O ATOM 0 H GLU A 55 -14.289 38.072 -3.866 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.936 39.166 -6.519 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.782 37.787 -4.530 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -17.045 38.023 -6.247 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.043 36.138 -4.950 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.503 35.694 -5.811 1.00 0.00 H new ATOM 869 N PRO A 56 -15.803 41.449 -5.632 1.00 0.00 N ATOM 870 CA PRO A 56 -16.245 42.764 -5.085 1.00 0.00 C ATOM 871 C PRO A 56 -17.780 42.878 -4.931 1.00 0.00 C ATOM 872 O PRO A 56 -18.264 43.629 -4.087 1.00 0.00 O ATOM 873 CB PRO A 56 -15.686 43.778 -6.115 1.00 0.00 C ATOM 874 CG PRO A 56 -15.640 43.007 -7.397 1.00 0.00 C ATOM 875 CD PRO A 56 -15.239 41.598 -7.008 1.00 0.00 C ATOM 0 HA PRO A 56 -15.880 42.931 -4.071 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -16.328 44.655 -6.200 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.696 44.134 -5.828 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -16.609 43.016 -7.895 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.921 43.442 -8.091 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -15.651 40.858 -7.694 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -14.156 41.471 -7.015 1.00 0.00 H new ATOM 883 N SER A 57 -18.527 42.117 -5.746 1.00 0.00 N ATOM 884 CA SER A 57 -19.998 42.091 -5.699 1.00 0.00 C ATOM 885 C SER A 57 -20.499 41.295 -4.469 1.00 0.00 C ATOM 886 O SER A 57 -21.518 41.640 -3.857 1.00 0.00 O ATOM 887 CB SER A 57 -20.538 41.470 -7.009 1.00 0.00 C ATOM 888 OG SER A 57 -20.044 42.162 -8.149 1.00 0.00 O ATOM 0 H SER A 57 -18.129 41.502 -6.456 1.00 0.00 H new ATOM 0 HA SER A 57 -20.369 43.111 -5.603 1.00 0.00 H new ATOM 0 HB2 SER A 57 -20.248 40.421 -7.064 1.00 0.00 H new ATOM 0 HB3 SER A 57 -21.628 41.500 -7.006 1.00 0.00 H new ATOM 0 HG SER A 57 -20.400 41.748 -8.963 1.00 0.00 H new ATOM 894 N LEU A 58 -19.737 40.247 -4.102 1.00 0.00 N ATOM 895 CA LEU A 58 -20.131 39.281 -3.059 1.00 0.00 C ATOM 896 C LEU A 58 -19.759 39.775 -1.643 1.00 0.00 C ATOM 897 O LEU A 58 -20.303 39.261 -0.661 1.00 0.00 O ATOM 898 CB LEU A 58 -19.499 37.878 -3.348 1.00 0.00 C ATOM 899 CG LEU A 58 -20.139 37.028 -4.511 1.00 0.00 C ATOM 900 CD1 LEU A 58 -21.633 36.763 -4.250 1.00 0.00 C ATOM 901 CD2 LEU A 58 -19.923 37.671 -5.902 1.00 0.00 C ATOM 0 H LEU A 58 -18.829 40.046 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 58 -21.217 39.188 -3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -18.443 38.023 -3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -19.549 37.289 -2.432 1.00 0.00 H new ATOM 0 HG LEU A 58 -19.619 36.070 -4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -22.047 36.175 -5.069 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -21.747 36.214 -3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -22.164 37.712 -4.181 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -20.383 37.046 -6.667 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -20.379 38.661 -5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -18.855 37.760 -6.100 1.00 0.00 H new ATOM 913 N ARG A 59 -18.829 40.762 -1.536 1.00 0.00 N ATOM 914 CA ARG A 59 -18.425 41.323 -0.215 1.00 0.00 C ATOM 915 C ARG A 59 -19.570 42.151 0.411 1.00 0.00 C ATOM 916 O ARG A 59 -19.703 42.218 1.639 1.00 0.00 O ATOM 917 CB ARG A 59 -17.126 42.184 -0.297 1.00 0.00 C ATOM 918 CG ARG A 59 -17.259 43.515 -1.077 1.00 0.00 C ATOM 919 CD ARG A 59 -16.138 44.518 -0.752 1.00 0.00 C ATOM 920 NE ARG A 59 -16.146 44.883 0.682 1.00 0.00 N ATOM 921 CZ ARG A 59 -15.435 45.875 1.242 1.00 0.00 C ATOM 922 NH1 ARG A 59 -14.675 46.676 0.509 1.00 0.00 N ATOM 923 NH2 ARG A 59 -15.515 46.082 2.546 1.00 0.00 N ATOM 0 H ARG A 59 -18.351 41.181 -2.334 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.209 40.468 0.426 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.795 42.408 0.717 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -16.343 41.586 -0.763 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -17.252 43.305 -2.147 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.223 43.969 -0.848 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.172 44.086 -1.015 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -16.262 45.415 -1.359 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.744 44.333 1.299 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -14.622 46.545 -0.501 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -14.143 47.423 0.955 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.114 45.490 3.121 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.977 46.834 2.977 1.00 0.00 H new ATOM 937 N ASP A 60 -20.390 42.770 -0.461 1.00 0.00 N ATOM 938 CA ASP A 60 -21.542 43.602 -0.052 1.00 0.00 C ATOM 939 C ASP A 60 -22.711 42.717 0.419 1.00 0.00 C ATOM 940 O ASP A 60 -23.512 43.129 1.267 1.00 0.00 O ATOM 941 CB ASP A 60 -21.980 44.500 -1.239 1.00 0.00 C ATOM 942 CG ASP A 60 -23.147 45.457 -0.907 1.00 0.00 C ATOM 943 OD1 ASP A 60 -24.310 45.163 -1.265 1.00 0.00 O ATOM 944 OD2 ASP A 60 -22.903 46.515 -0.289 1.00 0.00 O ATOM 0 H ASP A 60 -20.273 42.708 -1.472 1.00 0.00 H new ATOM 0 HA ASP A 60 -21.244 44.236 0.783 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -21.125 45.088 -1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -22.272 43.863 -2.074 1.00 0.00 H new ATOM 949 N SER A 61 -22.790 41.500 -0.150 1.00 0.00 N ATOM 950 CA SER A 61 -23.807 40.503 0.212 1.00 0.00 C ATOM 951 C SER A 61 -23.481 39.873 1.580 1.00 0.00 C ATOM 952 O SER A 61 -22.303 39.657 1.900 1.00 0.00 O ATOM 953 CB SER A 61 -23.883 39.408 -0.873 1.00 0.00 C ATOM 954 OG SER A 61 -24.931 38.488 -0.608 1.00 0.00 O ATOM 0 H SER A 61 -22.147 41.182 -0.875 1.00 0.00 H new ATOM 0 HA SER A 61 -24.774 41.001 0.282 1.00 0.00 H new ATOM 0 HB2 SER A 61 -24.040 39.870 -1.848 1.00 0.00 H new ATOM 0 HB3 SER A 61 -22.933 38.876 -0.922 1.00 0.00 H new ATOM 0 HG SER A 61 -24.955 37.808 -1.313 1.00 0.00 H new ATOM 960 N ASN A 62 -24.535 39.581 2.368 1.00 0.00 N ATOM 961 CA ASN A 62 -24.405 38.953 3.698 1.00 0.00 C ATOM 962 C ASN A 62 -23.907 37.491 3.558 1.00 0.00 C ATOM 963 O ASN A 62 -24.529 36.713 2.827 1.00 0.00 O ATOM 964 CB ASN A 62 -25.772 38.989 4.435 1.00 0.00 C ATOM 965 CG ASN A 62 -25.756 38.384 5.847 1.00 0.00 C ATOM 966 OD1 ASN A 62 -24.746 38.399 6.545 1.00 0.00 O ATOM 967 ND2 ASN A 62 -26.882 37.858 6.289 1.00 0.00 N ATOM 0 H ASN A 62 -25.500 39.774 2.100 1.00 0.00 H new ATOM 0 HA ASN A 62 -23.674 39.512 4.282 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -26.106 40.024 4.502 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -26.508 38.455 3.834 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -26.924 37.455 7.225 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -27.711 37.855 5.695 1.00 0.00 H new ATOM 974 N PRO A 63 -22.776 37.103 4.251 1.00 0.00 N ATOM 975 CA PRO A 63 -22.209 35.717 4.204 1.00 0.00 C ATOM 976 C PRO A 63 -23.184 34.607 4.672 1.00 0.00 C ATOM 977 O PRO A 63 -22.914 33.418 4.462 1.00 0.00 O ATOM 978 CB PRO A 63 -20.965 35.813 5.137 1.00 0.00 C ATOM 979 CG PRO A 63 -21.246 36.996 6.008 1.00 0.00 C ATOM 980 CD PRO A 63 -21.928 37.984 5.103 1.00 0.00 C ATOM 0 HA PRO A 63 -21.979 35.420 3.181 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -20.840 34.905 5.727 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -20.048 35.950 4.564 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -21.883 36.725 6.850 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -20.327 37.409 6.424 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -22.525 38.704 5.663 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -21.212 38.555 4.511 1.00 0.00 H new ATOM 988 N GLU A 64 -24.302 34.999 5.318 1.00 0.00 N ATOM 989 CA GLU A 64 -25.360 34.053 5.719 1.00 0.00 C ATOM 990 C GLU A 64 -26.274 33.763 4.513 1.00 0.00 C ATOM 991 O GLU A 64 -26.615 32.610 4.233 1.00 0.00 O ATOM 992 CB GLU A 64 -26.207 34.611 6.901 1.00 0.00 C ATOM 993 CG GLU A 64 -25.411 35.269 8.048 1.00 0.00 C ATOM 994 CD GLU A 64 -24.243 34.419 8.560 1.00 0.00 C ATOM 995 OE1 GLU A 64 -24.490 33.347 9.151 1.00 0.00 O ATOM 996 OE2 GLU A 64 -23.071 34.832 8.391 1.00 0.00 O ATOM 0 H GLU A 64 -24.494 35.968 5.573 1.00 0.00 H new ATOM 0 HA GLU A 64 -24.884 33.132 6.055 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -26.910 35.344 6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -26.798 33.795 7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -25.026 36.230 7.706 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -26.089 35.474 8.877 1.00 0.00 H new ATOM 1003 N GLU A 65 -26.644 34.847 3.793 1.00 0.00 N ATOM 1004 CA GLU A 65 -27.591 34.800 2.653 1.00 0.00 C ATOM 1005 C GLU A 65 -26.825 34.678 1.312 1.00 0.00 C ATOM 1006 O GLU A 65 -27.399 34.902 0.237 1.00 0.00 O ATOM 1007 CB GLU A 65 -28.469 36.091 2.654 1.00 0.00 C ATOM 1008 CG GLU A 65 -29.047 36.494 4.029 1.00 0.00 C ATOM 1009 CD GLU A 65 -29.894 35.400 4.709 1.00 0.00 C ATOM 1010 OE1 GLU A 65 -31.026 35.148 4.254 1.00 0.00 O ATOM 1011 OE2 GLU A 65 -29.442 34.810 5.711 1.00 0.00 O ATOM 0 H GLU A 65 -26.292 35.785 3.987 1.00 0.00 H new ATOM 0 HA GLU A 65 -28.232 33.925 2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -27.870 36.918 2.273 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -29.296 35.949 1.958 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -28.224 36.763 4.691 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -29.660 37.386 3.904 1.00 0.00 H new ATOM 1018 N ILE A 66 -25.539 34.293 1.404 1.00 0.00 N ATOM 1019 CA ILE A 66 -24.584 34.293 0.283 1.00 0.00 C ATOM 1020 C ILE A 66 -25.029 33.346 -0.864 1.00 0.00 C ATOM 1021 O ILE A 66 -25.669 32.309 -0.630 1.00 0.00 O ATOM 1022 CB ILE A 66 -23.151 33.880 0.799 1.00 0.00 C ATOM 1023 CG1 ILE A 66 -22.044 34.125 -0.289 1.00 0.00 C ATOM 1024 CG2 ILE A 66 -23.149 32.413 1.299 1.00 0.00 C ATOM 1025 CD1 ILE A 66 -21.766 35.596 -0.596 1.00 0.00 C ATOM 0 H ILE A 66 -25.127 33.967 2.278 1.00 0.00 H new ATOM 0 HA ILE A 66 -24.553 35.304 -0.122 1.00 0.00 H new ATOM 0 HB ILE A 66 -22.905 34.522 1.645 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -21.118 33.656 0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -22.343 33.626 -1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -22.151 32.150 1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -23.861 32.306 2.117 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -23.433 31.750 0.482 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.989 35.668 -1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -22.677 36.070 -0.961 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -21.433 36.100 0.311 1.00 0.00 H new ATOM 1037 N GLU A 67 -24.698 33.738 -2.102 1.00 0.00 N ATOM 1038 CA GLU A 67 -24.943 32.949 -3.316 1.00 0.00 C ATOM 1039 C GLU A 67 -23.619 32.758 -4.051 1.00 0.00 C ATOM 1040 O GLU A 67 -23.105 33.696 -4.683 1.00 0.00 O ATOM 1041 CB GLU A 67 -25.970 33.666 -4.226 1.00 0.00 C ATOM 1042 CG GLU A 67 -27.343 33.877 -3.571 1.00 0.00 C ATOM 1043 CD GLU A 67 -28.331 34.637 -4.471 1.00 0.00 C ATOM 1044 OE1 GLU A 67 -28.281 35.887 -4.505 1.00 0.00 O ATOM 1045 OE2 GLU A 67 -29.142 33.985 -5.168 1.00 0.00 O ATOM 0 H GLU A 67 -24.243 34.631 -2.291 1.00 0.00 H new ATOM 0 HA GLU A 67 -25.355 31.977 -3.046 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -25.566 34.635 -4.520 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -26.100 33.085 -5.139 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -27.768 32.907 -3.313 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -27.213 34.427 -2.639 1.00 0.00 H new ATOM 1052 N ILE A 68 -23.048 31.555 -3.927 1.00 0.00 N ATOM 1053 CA ILE A 68 -21.803 31.196 -4.616 1.00 0.00 C ATOM 1054 C ILE A 68 -22.132 30.772 -6.068 1.00 0.00 C ATOM 1055 O ILE A 68 -22.342 29.596 -6.385 1.00 0.00 O ATOM 1056 CB ILE A 68 -20.988 30.093 -3.813 1.00 0.00 C ATOM 1057 CG1 ILE A 68 -21.843 28.801 -3.521 1.00 0.00 C ATOM 1058 CG2 ILE A 68 -20.443 30.690 -2.485 1.00 0.00 C ATOM 1059 CD1 ILE A 68 -21.089 27.667 -2.827 1.00 0.00 C ATOM 0 H ILE A 68 -23.433 30.807 -3.350 1.00 0.00 H new ATOM 0 HA ILE A 68 -21.145 32.064 -4.660 1.00 0.00 H new ATOM 0 HB ILE A 68 -20.154 29.787 -4.445 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -22.696 29.081 -2.903 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -22.242 28.427 -4.464 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -19.886 29.925 -1.944 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -19.784 31.529 -2.707 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -21.276 31.035 -1.872 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -21.763 26.825 -2.670 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -20.252 27.352 -3.450 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -20.714 28.015 -1.865 1.00 0.00 H new ATOM 1071 N ASP A 69 -22.192 31.782 -6.953 1.00 0.00 N ATOM 1072 CA ASP A 69 -22.611 31.605 -8.352 1.00 0.00 C ATOM 1073 C ASP A 69 -21.374 31.319 -9.213 1.00 0.00 C ATOM 1074 O ASP A 69 -20.704 32.247 -9.678 1.00 0.00 O ATOM 1075 CB ASP A 69 -23.378 32.862 -8.845 1.00 0.00 C ATOM 1076 CG ASP A 69 -24.038 32.679 -10.233 1.00 0.00 C ATOM 1077 OD1 ASP A 69 -23.324 32.674 -11.269 1.00 0.00 O ATOM 1078 OD2 ASP A 69 -25.280 32.547 -10.299 1.00 0.00 O ATOM 0 H ASP A 69 -21.951 32.745 -6.717 1.00 0.00 H new ATOM 0 HA ASP A 69 -23.292 30.758 -8.434 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -24.148 33.117 -8.117 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -22.688 33.705 -8.888 1.00 0.00 H new ATOM 1083 N PHE A 70 -21.093 30.023 -9.410 1.00 0.00 N ATOM 1084 CA PHE A 70 -19.850 29.519 -10.046 1.00 0.00 C ATOM 1085 C PHE A 70 -19.620 30.080 -11.462 1.00 0.00 C ATOM 1086 O PHE A 70 -18.473 30.171 -11.922 1.00 0.00 O ATOM 1087 CB PHE A 70 -19.891 27.972 -10.089 1.00 0.00 C ATOM 1088 CG PHE A 70 -20.053 27.339 -8.711 1.00 0.00 C ATOM 1089 CD1 PHE A 70 -18.994 27.339 -7.811 1.00 0.00 C ATOM 1090 CD2 PHE A 70 -21.255 26.754 -8.314 1.00 0.00 C ATOM 1091 CE1 PHE A 70 -19.132 26.777 -6.565 1.00 0.00 C ATOM 1092 CE2 PHE A 70 -21.388 26.192 -7.065 1.00 0.00 C ATOM 1093 CZ PHE A 70 -20.325 26.202 -6.188 1.00 0.00 C ATOM 0 H PHE A 70 -21.729 29.276 -9.130 1.00 0.00 H new ATOM 0 HA PHE A 70 -19.013 29.865 -9.439 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -20.715 27.654 -10.727 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -18.973 27.603 -10.546 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -18.052 27.786 -8.094 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -22.093 26.742 -8.996 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -18.300 26.786 -5.877 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -22.326 25.743 -6.772 1.00 0.00 H new ATOM 0 HZ PHE A 70 -20.427 25.760 -5.208 1.00 0.00 H new ATOM 1103 N GLU A 71 -20.719 30.464 -12.132 1.00 0.00 N ATOM 1104 CA GLU A 71 -20.682 30.955 -13.518 1.00 0.00 C ATOM 1105 C GLU A 71 -20.157 32.410 -13.578 1.00 0.00 C ATOM 1106 O GLU A 71 -19.486 32.786 -14.549 1.00 0.00 O ATOM 1107 CB GLU A 71 -22.091 30.823 -14.158 1.00 0.00 C ATOM 1108 CG GLU A 71 -22.123 30.994 -15.694 1.00 0.00 C ATOM 1109 CD GLU A 71 -23.507 30.697 -16.303 1.00 0.00 C ATOM 1110 OE1 GLU A 71 -23.804 29.516 -16.583 1.00 0.00 O ATOM 1111 OE2 GLU A 71 -24.307 31.636 -16.489 1.00 0.00 O ATOM 0 H GLU A 71 -21.656 30.443 -11.729 1.00 0.00 H new ATOM 0 HA GLU A 71 -19.987 30.344 -14.094 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -22.499 29.844 -13.907 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -22.750 31.567 -13.710 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -21.832 32.013 -15.947 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -21.384 30.331 -16.144 1.00 0.00 H new ATOM 1118 N THR A 72 -20.447 33.215 -12.527 1.00 0.00 N ATOM 1119 CA THR A 72 -19.970 34.620 -12.440 1.00 0.00 C ATOM 1120 C THR A 72 -18.693 34.744 -11.575 1.00 0.00 C ATOM 1121 O THR A 72 -18.019 35.781 -11.630 1.00 0.00 O ATOM 1122 CB THR A 72 -21.084 35.596 -11.907 1.00 0.00 C ATOM 1123 OG1 THR A 72 -20.735 36.967 -12.207 1.00 0.00 O ATOM 1124 CG2 THR A 72 -21.318 35.466 -10.388 1.00 0.00 C ATOM 0 H THR A 72 -21.008 32.918 -11.728 1.00 0.00 H new ATOM 0 HA THR A 72 -19.723 34.918 -13.459 1.00 0.00 H new ATOM 0 HB THR A 72 -22.006 35.314 -12.415 1.00 0.00 H new ATOM 0 HG1 THR A 72 -19.769 37.089 -12.100 1.00 0.00 H new ATOM 0 HG21 THR A 72 -22.097 36.163 -10.079 1.00 0.00 H new ATOM 0 HG22 THR A 72 -21.629 34.448 -10.154 1.00 0.00 H new ATOM 0 HG23 THR A 72 -20.394 35.695 -9.857 1.00 0.00 H new ATOM 1132 N LEU A 73 -18.373 33.711 -10.761 1.00 0.00 N ATOM 1133 CA LEU A 73 -17.138 33.709 -9.940 1.00 0.00 C ATOM 1134 C LEU A 73 -15.902 33.512 -10.845 1.00 0.00 C ATOM 1135 O LEU A 73 -15.995 32.859 -11.897 1.00 0.00 O ATOM 1136 CB LEU A 73 -17.169 32.611 -8.834 1.00 0.00 C ATOM 1137 CG LEU A 73 -18.282 32.723 -7.737 1.00 0.00 C ATOM 1138 CD1 LEU A 73 -18.164 31.591 -6.685 1.00 0.00 C ATOM 1139 CD2 LEU A 73 -18.301 34.115 -7.070 1.00 0.00 C ATOM 0 H LEU A 73 -18.947 32.875 -10.655 1.00 0.00 H new ATOM 0 HA LEU A 73 -17.077 34.675 -9.440 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -17.275 31.643 -9.324 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -16.201 32.611 -8.333 1.00 0.00 H new ATOM 0 HG LEU A 73 -19.239 32.600 -8.244 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -18.953 31.702 -5.941 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -18.264 30.624 -7.178 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -17.192 31.649 -6.195 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -19.088 34.147 -6.317 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -17.338 34.305 -6.597 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -18.491 34.878 -7.825 1.00 0.00 H new ATOM 1151 N LYS A 74 -14.761 34.082 -10.421 1.00 0.00 N ATOM 1152 CA LYS A 74 -13.492 34.024 -11.176 1.00 0.00 C ATOM 1153 C LYS A 74 -12.952 32.573 -11.249 1.00 0.00 C ATOM 1154 O LYS A 74 -13.010 31.862 -10.246 1.00 0.00 O ATOM 1155 CB LYS A 74 -12.435 34.951 -10.514 1.00 0.00 C ATOM 1156 CG LYS A 74 -12.867 36.428 -10.398 1.00 0.00 C ATOM 1157 CD LYS A 74 -11.836 37.301 -9.644 1.00 0.00 C ATOM 1158 CE LYS A 74 -12.340 38.733 -9.393 1.00 0.00 C ATOM 1159 NZ LYS A 74 -12.585 39.477 -10.655 1.00 0.00 N ATOM 0 H LYS A 74 -14.690 34.597 -9.544 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.686 34.367 -12.192 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.210 34.571 -9.517 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.512 34.899 -11.091 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -13.019 36.836 -11.397 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.826 36.481 -9.883 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.598 36.832 -8.689 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.911 37.341 -10.219 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.262 38.694 -8.813 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.608 39.273 -8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.923 40.435 -10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.701 39.539 -11.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.303 38.978 -11.218 1.00 0.00 H new ATOM 1173 N PRO A 75 -12.430 32.109 -12.441 1.00 0.00 N ATOM 1174 CA PRO A 75 -11.842 30.744 -12.607 1.00 0.00 C ATOM 1175 C PRO A 75 -10.777 30.392 -11.540 1.00 0.00 C ATOM 1176 O PRO A 75 -10.676 29.237 -11.110 1.00 0.00 O ATOM 1177 CB PRO A 75 -11.210 30.803 -14.022 1.00 0.00 C ATOM 1178 CG PRO A 75 -12.048 31.804 -14.760 1.00 0.00 C ATOM 1179 CD PRO A 75 -12.413 32.859 -13.733 1.00 0.00 C ATOM 0 HA PRO A 75 -12.597 29.967 -12.486 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -10.166 31.113 -13.979 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.233 29.828 -14.509 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -11.496 32.241 -15.593 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -12.940 31.338 -15.178 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -11.684 33.669 -13.716 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -13.383 33.308 -13.948 1.00 0.00 H new ATOM 1187 N SER A 76 -10.004 31.413 -11.124 1.00 0.00 N ATOM 1188 CA SER A 76 -8.973 31.275 -10.085 1.00 0.00 C ATOM 1189 C SER A 76 -9.606 31.034 -8.702 1.00 0.00 C ATOM 1190 O SER A 76 -9.063 30.281 -7.902 1.00 0.00 O ATOM 1191 CB SER A 76 -8.087 32.533 -10.043 1.00 0.00 C ATOM 1192 OG SER A 76 -7.508 32.801 -11.312 1.00 0.00 O ATOM 0 H SER A 76 -10.079 32.358 -11.501 1.00 0.00 H new ATOM 0 HA SER A 76 -8.358 30.411 -10.335 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.682 33.389 -9.725 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.299 32.400 -9.302 1.00 0.00 H new ATOM 0 HG SER A 76 -6.952 33.606 -11.255 1.00 0.00 H new ATOM 1198 N THR A 77 -10.758 31.681 -8.443 1.00 0.00 N ATOM 1199 CA THR A 77 -11.511 31.520 -7.181 1.00 0.00 C ATOM 1200 C THR A 77 -12.089 30.088 -7.076 1.00 0.00 C ATOM 1201 O THR A 77 -12.185 29.531 -5.982 1.00 0.00 O ATOM 1202 CB THR A 77 -12.651 32.590 -7.089 1.00 0.00 C ATOM 1203 OG1 THR A 77 -12.091 33.878 -7.372 1.00 0.00 O ATOM 1204 CG2 THR A 77 -13.337 32.634 -5.706 1.00 0.00 C ATOM 0 H THR A 77 -11.193 32.329 -9.100 1.00 0.00 H new ATOM 0 HA THR A 77 -10.830 31.673 -6.344 1.00 0.00 H new ATOM 0 HB THR A 77 -13.416 32.313 -7.814 1.00 0.00 H new ATOM 0 HG1 THR A 77 -12.751 34.573 -7.170 1.00 0.00 H new ATOM 0 HG21 THR A 77 -14.116 33.396 -5.711 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.781 31.662 -5.489 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.599 32.875 -4.941 1.00 0.00 H new ATOM 1212 N LEU A 78 -12.440 29.503 -8.242 1.00 0.00 N ATOM 1213 CA LEU A 78 -12.878 28.089 -8.349 1.00 0.00 C ATOM 1214 C LEU A 78 -11.706 27.124 -8.040 1.00 0.00 C ATOM 1215 O LEU A 78 -11.927 26.029 -7.513 1.00 0.00 O ATOM 1216 CB LEU A 78 -13.492 27.794 -9.761 1.00 0.00 C ATOM 1217 CG LEU A 78 -14.998 28.197 -9.978 1.00 0.00 C ATOM 1218 CD1 LEU A 78 -15.258 29.691 -9.727 1.00 0.00 C ATOM 1219 CD2 LEU A 78 -15.491 27.791 -11.390 1.00 0.00 C ATOM 0 H LEU A 78 -12.429 29.995 -9.136 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.658 27.922 -7.606 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.891 28.312 -10.508 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -13.394 26.726 -9.958 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.571 27.643 -9.234 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.313 29.909 -9.892 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.992 29.939 -8.699 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.653 30.286 -10.412 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -16.534 28.083 -11.509 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -14.886 28.293 -12.145 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -15.400 26.712 -11.511 1.00 0.00 H new ATOM 1231 N ARG A 79 -10.466 27.545 -8.384 1.00 0.00 N ATOM 1232 CA ARG A 79 -9.239 26.786 -8.048 1.00 0.00 C ATOM 1233 C ARG A 79 -9.007 26.803 -6.527 1.00 0.00 C ATOM 1234 O ARG A 79 -8.817 25.751 -5.909 1.00 0.00 O ATOM 1235 CB ARG A 79 -7.992 27.362 -8.780 1.00 0.00 C ATOM 1236 CG ARG A 79 -8.049 27.285 -10.323 1.00 0.00 C ATOM 1237 CD ARG A 79 -6.750 27.784 -10.991 1.00 0.00 C ATOM 1238 NE ARG A 79 -5.565 27.066 -10.480 1.00 0.00 N ATOM 1239 CZ ARG A 79 -5.151 25.848 -10.883 1.00 0.00 C ATOM 1240 NH1 ARG A 79 -5.772 25.186 -11.861 1.00 0.00 N ATOM 1241 NH2 ARG A 79 -4.091 25.308 -10.303 1.00 0.00 N ATOM 0 H ARG A 79 -10.289 28.409 -8.896 1.00 0.00 H new ATOM 0 HA ARG A 79 -9.381 25.759 -8.383 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -7.866 28.404 -8.487 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -7.107 26.826 -8.437 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -8.236 26.254 -10.625 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -8.889 27.879 -10.682 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.820 27.649 -12.070 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -6.635 28.853 -10.810 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.012 27.532 -9.760 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.581 25.600 -12.323 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -5.437 24.266 -12.146 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.602 25.813 -9.564 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.764 24.387 -10.595 1.00 0.00 H new ATOM 1255 N GLU A 80 -9.058 28.021 -5.947 1.00 0.00 N ATOM 1256 CA GLU A 80 -8.875 28.257 -4.500 1.00 0.00 C ATOM 1257 C GLU A 80 -9.962 27.541 -3.682 1.00 0.00 C ATOM 1258 O GLU A 80 -9.723 27.118 -2.546 1.00 0.00 O ATOM 1259 CB GLU A 80 -8.890 29.787 -4.191 1.00 0.00 C ATOM 1260 CG GLU A 80 -7.847 30.627 -4.963 1.00 0.00 C ATOM 1261 CD GLU A 80 -6.429 30.030 -4.935 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -5.965 29.518 -5.978 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -5.779 30.063 -3.869 1.00 0.00 O ATOM 0 H GLU A 80 -9.229 28.876 -6.476 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.906 27.848 -4.213 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.883 30.176 -4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.726 29.927 -3.123 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.169 30.727 -5.999 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.817 31.631 -4.540 1.00 0.00 H new ATOM 1270 N LEU A 81 -11.152 27.416 -4.294 1.00 0.00 N ATOM 1271 CA LEU A 81 -12.291 26.714 -3.708 1.00 0.00 C ATOM 1272 C LEU A 81 -11.968 25.224 -3.532 1.00 0.00 C ATOM 1273 O LEU A 81 -12.003 24.721 -2.414 1.00 0.00 O ATOM 1274 CB LEU A 81 -13.546 26.888 -4.599 1.00 0.00 C ATOM 1275 CG LEU A 81 -14.828 26.141 -4.121 1.00 0.00 C ATOM 1276 CD1 LEU A 81 -15.309 26.667 -2.753 1.00 0.00 C ATOM 1277 CD2 LEU A 81 -15.941 26.220 -5.180 1.00 0.00 C ATOM 0 H LEU A 81 -11.345 27.805 -5.217 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.496 27.144 -2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -13.773 27.952 -4.669 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.304 26.547 -5.605 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.571 25.090 -3.990 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -16.204 26.125 -2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -14.525 26.519 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -15.538 27.730 -2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -16.823 25.691 -4.821 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -16.194 27.264 -5.365 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -15.595 25.761 -6.106 1.00 0.00 H new ATOM 1289 N GLU A 82 -11.621 24.544 -4.649 1.00 0.00 N ATOM 1290 CA GLU A 82 -11.330 23.092 -4.649 1.00 0.00 C ATOM 1291 C GLU A 82 -10.149 22.759 -3.722 1.00 0.00 C ATOM 1292 O GLU A 82 -10.152 21.724 -3.064 1.00 0.00 O ATOM 1293 CB GLU A 82 -11.048 22.570 -6.085 1.00 0.00 C ATOM 1294 CG GLU A 82 -12.240 22.692 -7.052 1.00 0.00 C ATOM 1295 CD GLU A 82 -12.037 21.909 -8.361 1.00 0.00 C ATOM 1296 OE1 GLU A 82 -11.327 22.405 -9.262 1.00 0.00 O ATOM 1297 OE2 GLU A 82 -12.601 20.796 -8.501 1.00 0.00 O ATOM 0 H GLU A 82 -11.535 24.981 -5.567 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.218 22.587 -4.270 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.203 23.120 -6.499 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.750 21.523 -6.026 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -13.141 22.332 -6.556 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.404 23.744 -7.286 1.00 0.00 H new ATOM 1304 N ARG A 83 -9.155 23.662 -3.686 1.00 0.00 N ATOM 1305 CA ARG A 83 -7.983 23.541 -2.801 1.00 0.00 C ATOM 1306 C ARG A 83 -8.403 23.537 -1.322 1.00 0.00 C ATOM 1307 O ARG A 83 -7.959 22.684 -0.547 1.00 0.00 O ATOM 1308 CB ARG A 83 -6.984 24.696 -3.086 1.00 0.00 C ATOM 1309 CG ARG A 83 -6.233 24.549 -4.421 1.00 0.00 C ATOM 1310 CD ARG A 83 -5.321 25.743 -4.740 1.00 0.00 C ATOM 1311 NE ARG A 83 -4.376 25.389 -5.808 1.00 0.00 N ATOM 1312 CZ ARG A 83 -3.854 26.226 -6.707 1.00 0.00 C ATOM 1313 NH1 ARG A 83 -4.262 27.479 -6.823 1.00 0.00 N ATOM 1314 NH2 ARG A 83 -2.929 25.784 -7.523 1.00 0.00 N ATOM 0 H ARG A 83 -9.141 24.498 -4.270 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.491 22.590 -3.007 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.526 25.642 -3.087 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.258 24.745 -2.274 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.633 23.639 -4.394 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.958 24.429 -5.226 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.923 26.598 -5.046 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.775 26.042 -3.845 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.092 24.411 -5.868 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.999 27.834 -6.213 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.840 28.090 -7.522 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.619 24.814 -7.465 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.519 26.410 -8.216 1.00 0.00 H new ATOM 1328 N TYR A 84 -9.286 24.483 -0.962 1.00 0.00 N ATOM 1329 CA TYR A 84 -9.751 24.663 0.421 1.00 0.00 C ATOM 1330 C TYR A 84 -10.616 23.460 0.858 1.00 0.00 C ATOM 1331 O TYR A 84 -10.458 22.945 1.967 1.00 0.00 O ATOM 1332 CB TYR A 84 -10.543 25.998 0.550 1.00 0.00 C ATOM 1333 CG TYR A 84 -10.681 26.510 1.998 1.00 0.00 C ATOM 1334 CD1 TYR A 84 -9.702 27.338 2.555 1.00 0.00 C ATOM 1335 CD2 TYR A 84 -11.769 26.159 2.803 1.00 0.00 C ATOM 1336 CE1 TYR A 84 -9.801 27.789 3.854 1.00 0.00 C ATOM 1337 CE2 TYR A 84 -11.872 26.614 4.104 1.00 0.00 C ATOM 1338 CZ TYR A 84 -10.885 27.428 4.622 1.00 0.00 C ATOM 1339 OH TYR A 84 -10.972 27.878 5.920 1.00 0.00 O ATOM 0 H TYR A 84 -9.697 25.144 -1.622 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.886 24.714 1.082 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.047 26.762 -0.048 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -11.539 25.860 0.128 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.852 27.630 1.956 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -12.542 25.521 2.401 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.031 28.423 4.268 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -12.720 26.334 4.712 1.00 0.00 H new ATOM 0 HH TYR A 84 -10.525 28.747 5.996 1.00 0.00 H new ATOM 1349 N VAL A 85 -11.505 23.011 -0.051 1.00 0.00 N ATOM 1350 CA VAL A 85 -12.451 21.912 0.209 1.00 0.00 C ATOM 1351 C VAL A 85 -11.695 20.579 0.401 1.00 0.00 C ATOM 1352 O VAL A 85 -11.895 19.913 1.407 1.00 0.00 O ATOM 1353 CB VAL A 85 -13.534 21.786 -0.938 1.00 0.00 C ATOM 1354 CG1 VAL A 85 -14.482 20.580 -0.714 1.00 0.00 C ATOM 1355 CG2 VAL A 85 -14.353 23.096 -1.072 1.00 0.00 C ATOM 0 H VAL A 85 -11.586 23.403 -0.989 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.982 22.146 1.132 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.993 21.612 -1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -15.209 20.533 -1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.900 19.659 -0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -15.005 20.700 0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -15.091 22.984 -1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -14.862 23.305 -0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -13.683 23.921 -1.313 1.00 0.00 H new ATOM 1365 N LEU A 86 -10.804 20.225 -0.554 1.00 0.00 N ATOM 1366 CA LEU A 86 -10.007 18.968 -0.503 1.00 0.00 C ATOM 1367 C LEU A 86 -9.083 18.928 0.732 1.00 0.00 C ATOM 1368 O LEU A 86 -8.812 17.848 1.275 1.00 0.00 O ATOM 1369 CB LEU A 86 -9.166 18.788 -1.800 1.00 0.00 C ATOM 1370 CG LEU A 86 -9.970 18.536 -3.118 1.00 0.00 C ATOM 1371 CD1 LEU A 86 -9.027 18.467 -4.345 1.00 0.00 C ATOM 1372 CD2 LEU A 86 -10.852 17.266 -3.013 1.00 0.00 C ATOM 0 H LEU A 86 -10.615 20.796 -1.378 1.00 0.00 H new ATOM 0 HA LEU A 86 -10.716 18.144 -0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.554 19.680 -1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.482 17.952 -1.651 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.639 19.385 -3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.615 18.291 -5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.487 19.409 -4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.315 17.653 -4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.396 17.123 -3.947 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.220 16.398 -2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.562 17.383 -2.194 1.00 0.00 H new ATOM 1384 N SER A 87 -8.605 20.115 1.152 1.00 0.00 N ATOM 1385 CA SER A 87 -7.765 20.274 2.353 1.00 0.00 C ATOM 1386 C SER A 87 -8.583 19.967 3.632 1.00 0.00 C ATOM 1387 O SER A 87 -8.084 19.308 4.551 1.00 0.00 O ATOM 1388 CB SER A 87 -7.180 21.705 2.394 1.00 0.00 C ATOM 1389 OG SER A 87 -6.282 21.887 3.480 1.00 0.00 O ATOM 0 H SER A 87 -8.791 20.992 0.666 1.00 0.00 H new ATOM 0 HA SER A 87 -6.939 19.564 2.310 1.00 0.00 H new ATOM 0 HB2 SER A 87 -6.661 21.911 1.458 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.994 22.426 2.473 1.00 0.00 H new ATOM 0 HG SER A 87 -5.935 22.803 3.467 1.00 0.00 H new ATOM 1395 N CYS A 88 -9.850 20.440 3.660 1.00 0.00 N ATOM 1396 CA CYS A 88 -10.794 20.175 4.772 1.00 0.00 C ATOM 1397 C CYS A 88 -11.197 18.683 4.803 1.00 0.00 C ATOM 1398 O CYS A 88 -11.300 18.079 5.875 1.00 0.00 O ATOM 1399 CB CYS A 88 -12.050 21.072 4.635 1.00 0.00 C ATOM 1400 SG CYS A 88 -11.696 22.844 4.708 1.00 0.00 S ATOM 0 H CYS A 88 -10.246 21.014 2.916 1.00 0.00 H new ATOM 0 HA CYS A 88 -10.295 20.413 5.711 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -12.543 20.849 3.689 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -12.754 20.819 5.428 1.00 0.00 H new ATOM 0 HG CYS A 88 -11.084 23.209 3.621 1.00 0.00 H new ATOM 1406 N LEU A 89 -11.393 18.101 3.604 1.00 0.00 N ATOM 1407 CA LEU A 89 -11.784 16.687 3.437 1.00 0.00 C ATOM 1408 C LEU A 89 -10.600 15.744 3.726 1.00 0.00 C ATOM 1409 O LEU A 89 -10.804 14.553 3.970 1.00 0.00 O ATOM 1410 CB LEU A 89 -12.324 16.434 2.000 1.00 0.00 C ATOM 1411 CG LEU A 89 -13.602 17.233 1.591 1.00 0.00 C ATOM 1412 CD1 LEU A 89 -14.044 16.880 0.153 1.00 0.00 C ATOM 1413 CD2 LEU A 89 -14.752 17.039 2.609 1.00 0.00 C ATOM 0 H LEU A 89 -11.284 18.600 2.721 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.576 16.476 4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.531 16.670 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.538 15.370 1.897 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.344 18.292 1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.936 17.451 -0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.243 17.125 -0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.266 15.815 0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -15.622 17.611 2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -15.013 15.982 2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.431 17.387 3.591 1.00 0.00 H new ATOM 1425 N ARG A 90 -9.366 16.306 3.649 1.00 0.00 N ATOM 1426 CA ARG A 90 -8.088 15.598 3.919 1.00 0.00 C ATOM 1427 C ARG A 90 -7.798 14.511 2.866 1.00 0.00 C ATOM 1428 O ARG A 90 -6.896 13.685 3.053 1.00 0.00 O ATOM 1429 CB ARG A 90 -8.068 14.988 5.353 1.00 0.00 C ATOM 1430 CG ARG A 90 -8.337 16.000 6.482 1.00 0.00 C ATOM 1431 CD ARG A 90 -8.315 15.352 7.872 1.00 0.00 C ATOM 1432 NE ARG A 90 -6.999 14.766 8.187 1.00 0.00 N ATOM 1433 CZ ARG A 90 -6.419 14.756 9.396 1.00 0.00 C ATOM 1434 NH1 ARG A 90 -6.984 15.350 10.438 1.00 0.00 N ATOM 1435 NH2 ARG A 90 -5.253 14.152 9.548 1.00 0.00 N ATOM 0 H ARG A 90 -9.229 17.284 3.392 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.296 16.344 3.853 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.814 14.196 5.407 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.097 14.523 5.523 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.588 16.791 6.442 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.307 16.471 6.320 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.569 16.099 8.624 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.079 14.576 7.923 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.486 14.331 7.420 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.879 15.828 10.329 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.524 15.329 11.348 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.805 13.701 8.751 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.802 14.137 10.463 1.00 0.00 H new ATOM 1724 N THR A 106 -2.901 21.260 -34.838 1.00 0.00 N ATOM 1725 CA THR A 106 -3.321 20.448 -35.990 1.00 0.00 C ATOM 1726 C THR A 106 -2.356 20.661 -37.168 1.00 0.00 C ATOM 1727 O THR A 106 -1.571 21.621 -37.175 1.00 0.00 O ATOM 1728 CB THR A 106 -4.802 20.779 -36.406 1.00 0.00 C ATOM 1729 OG1 THR A 106 -5.177 20.044 -37.586 1.00 0.00 O ATOM 1730 CG2 THR A 106 -5.015 22.281 -36.644 1.00 0.00 C ATOM 0 HA THR A 106 -3.288 19.397 -35.702 1.00 0.00 H new ATOM 0 HB THR A 106 -5.438 20.477 -35.573 1.00 0.00 H new ATOM 0 HG1 THR A 106 -6.101 20.262 -37.827 1.00 0.00 H new ATOM 0 HG21 THR A 106 -6.052 22.461 -36.929 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.789 22.830 -35.730 1.00 0.00 H new ATOM 0 HG23 THR A 106 -4.355 22.620 -37.443 1.00 0.00 H new ATOM 1738 N LYS A 107 -2.444 19.769 -38.170 1.00 0.00 N ATOM 1739 CA LYS A 107 -1.660 19.863 -39.413 1.00 0.00 C ATOM 1740 C LYS A 107 -2.102 21.088 -40.239 1.00 0.00 C ATOM 1741 O LYS A 107 -1.307 21.646 -40.991 1.00 0.00 O ATOM 1742 CB LYS A 107 -1.829 18.570 -40.250 1.00 0.00 C ATOM 1743 CG LYS A 107 -1.384 17.277 -39.530 1.00 0.00 C ATOM 1744 CD LYS A 107 -1.659 16.014 -40.375 1.00 0.00 C ATOM 1745 CE LYS A 107 -1.230 14.720 -39.673 1.00 0.00 C ATOM 1746 NZ LYS A 107 -1.526 13.526 -40.508 1.00 0.00 N ATOM 0 H LYS A 107 -3.064 18.959 -38.140 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.609 19.981 -39.151 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.877 18.470 -40.534 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -1.257 18.672 -41.172 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.319 17.337 -39.305 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -1.907 17.195 -38.577 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.723 15.961 -40.604 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.132 16.097 -41.326 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.162 14.759 -39.456 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.747 14.634 -38.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.224 12.667 -40.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.548 13.477 -40.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -1.013 13.597 -41.410 1.00 0.00 H new ATOM 1760 N GLU A 108 -3.390 21.471 -40.076 1.00 0.00 N ATOM 1761 CA GLU A 108 -3.984 22.672 -40.703 1.00 0.00 C ATOM 1762 C GLU A 108 -3.282 23.951 -40.200 1.00 0.00 C ATOM 1763 O GLU A 108 -3.010 24.872 -40.977 1.00 0.00 O ATOM 1764 CB GLU A 108 -5.498 22.725 -40.371 1.00 0.00 C ATOM 1765 CG GLU A 108 -6.260 23.940 -40.949 1.00 0.00 C ATOM 1766 CD GLU A 108 -7.694 24.056 -40.409 1.00 0.00 C ATOM 1767 OE1 GLU A 108 -7.903 24.748 -39.386 1.00 0.00 O ATOM 1768 OE2 GLU A 108 -8.615 23.434 -40.981 1.00 0.00 O ATOM 0 H GLU A 108 -4.051 20.949 -39.500 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.850 22.615 -41.783 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.966 21.813 -40.742 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -5.616 22.725 -39.287 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.713 24.852 -40.712 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.291 23.860 -42.036 1.00 0.00 H new ATOM 1775 N GLU A 109 -2.991 23.971 -38.884 1.00 0.00 N ATOM 1776 CA GLU A 109 -2.266 25.068 -38.221 1.00 0.00 C ATOM 1777 C GLU A 109 -0.848 25.177 -38.798 1.00 0.00 C ATOM 1778 O GLU A 109 -0.438 26.241 -39.245 1.00 0.00 O ATOM 1779 CB GLU A 109 -2.205 24.811 -36.690 1.00 0.00 C ATOM 1780 CG GLU A 109 -1.311 25.791 -35.891 1.00 0.00 C ATOM 1781 CD GLU A 109 -1.110 25.370 -34.425 1.00 0.00 C ATOM 1782 OE1 GLU A 109 -1.566 26.089 -33.507 1.00 0.00 O ATOM 1783 OE2 GLU A 109 -0.499 24.300 -34.189 1.00 0.00 O ATOM 0 H GLU A 109 -3.256 23.219 -38.248 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.792 26.006 -38.399 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -3.218 24.859 -36.289 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.844 23.796 -36.522 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -0.338 25.865 -36.378 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -1.757 26.785 -35.919 1.00 0.00 H new ATOM 1790 N LEU A 110 -0.136 24.034 -38.806 1.00 0.00 N ATOM 1791 CA LEU A 110 1.257 23.943 -39.291 1.00 0.00 C ATOM 1792 C LEU A 110 1.359 24.262 -40.797 1.00 0.00 C ATOM 1793 O LEU A 110 2.387 24.759 -41.260 1.00 0.00 O ATOM 1794 CB LEU A 110 1.822 22.531 -38.991 1.00 0.00 C ATOM 1795 CG LEU A 110 1.803 22.100 -37.488 1.00 0.00 C ATOM 1796 CD1 LEU A 110 2.320 20.655 -37.316 1.00 0.00 C ATOM 1797 CD2 LEU A 110 2.595 23.091 -36.597 1.00 0.00 C ATOM 0 H LEU A 110 -0.511 23.145 -38.476 1.00 0.00 H new ATOM 0 HA LEU A 110 1.851 24.689 -38.763 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.252 21.802 -39.567 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.850 22.487 -39.350 1.00 0.00 H new ATOM 0 HG LEU A 110 0.765 22.125 -37.155 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.295 20.383 -36.261 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.686 19.972 -37.882 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.344 20.589 -37.684 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.558 22.757 -35.560 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.632 23.130 -36.929 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.152 24.084 -36.674 1.00 0.00 H new ATOM 1809 N ALA A 111 0.274 23.960 -41.537 1.00 0.00 N ATOM 1810 CA ALA A 111 0.145 24.266 -42.974 1.00 0.00 C ATOM 1811 C ALA A 111 -0.011 25.778 -43.189 1.00 0.00 C ATOM 1812 O ALA A 111 0.495 26.321 -44.172 1.00 0.00 O ATOM 1813 CB ALA A 111 -1.056 23.514 -43.579 1.00 0.00 C ATOM 0 H ALA A 111 -0.545 23.492 -41.149 1.00 0.00 H new ATOM 0 HA ALA A 111 1.053 23.935 -43.479 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -1.137 23.751 -44.640 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -0.912 22.440 -43.457 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -1.970 23.818 -43.069 1.00 0.00 H new ATOM 1819 N LEU A 112 -0.722 26.436 -42.250 1.00 0.00 N ATOM 1820 CA LEU A 112 -0.971 27.888 -42.280 1.00 0.00 C ATOM 1821 C LEU A 112 0.345 28.642 -41.972 1.00 0.00 C ATOM 1822 O LEU A 112 0.660 29.629 -42.637 1.00 0.00 O ATOM 1823 CB LEU A 112 -2.121 28.237 -41.267 1.00 0.00 C ATOM 1824 CG LEU A 112 -2.891 29.598 -41.462 1.00 0.00 C ATOM 1825 CD1 LEU A 112 -4.185 29.632 -40.614 1.00 0.00 C ATOM 1826 CD2 LEU A 112 -2.014 30.832 -41.142 1.00 0.00 C ATOM 0 H LEU A 112 -1.141 25.970 -41.445 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.301 28.204 -43.270 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.854 27.431 -41.303 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -1.694 28.236 -40.264 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.155 29.651 -42.518 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.696 30.582 -40.768 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.840 28.815 -40.916 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -3.932 29.523 -39.559 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.596 31.741 -41.294 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.681 30.783 -40.105 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.146 30.843 -41.801 1.00 0.00 H new ATOM 1838 N GLU A 113 1.100 28.147 -40.969 1.00 0.00 N ATOM 1839 CA GLU A 113 2.408 28.718 -40.562 1.00 0.00 C ATOM 1840 C GLU A 113 3.434 28.595 -41.706 1.00 0.00 C ATOM 1841 O GLU A 113 4.182 29.536 -42.002 1.00 0.00 O ATOM 1842 CB GLU A 113 2.941 27.992 -39.291 1.00 0.00 C ATOM 1843 CG GLU A 113 1.987 28.007 -38.078 1.00 0.00 C ATOM 1844 CD GLU A 113 1.629 29.422 -37.590 1.00 0.00 C ATOM 1845 OE1 GLU A 113 0.575 29.968 -37.995 1.00 0.00 O ATOM 1846 OE2 GLU A 113 2.416 30.005 -36.804 1.00 0.00 O ATOM 0 H GLU A 113 0.822 27.337 -40.415 1.00 0.00 H new ATOM 0 HA GLU A 113 2.265 29.774 -40.335 1.00 0.00 H new ATOM 0 HB2 GLU A 113 3.159 26.956 -39.549 1.00 0.00 H new ATOM 0 HB3 GLU A 113 3.884 28.453 -38.997 1.00 0.00 H new ATOM 0 HG2 GLU A 113 1.070 27.480 -38.342 1.00 0.00 H new ATOM 0 HG3 GLU A 113 2.447 27.455 -37.258 1.00 0.00 H new ATOM 1853 N LYS A 114 3.439 27.403 -42.332 1.00 0.00 N ATOM 1854 CA LYS A 114 4.289 27.084 -43.491 1.00 0.00 C ATOM 1855 C LYS A 114 3.947 27.992 -44.682 1.00 0.00 C ATOM 1856 O LYS A 114 4.844 28.511 -45.363 1.00 0.00 O ATOM 1857 CB LYS A 114 4.084 25.599 -43.884 1.00 0.00 C ATOM 1858 CG LYS A 114 4.904 25.129 -45.109 1.00 0.00 C ATOM 1859 CD LYS A 114 4.526 23.703 -45.559 1.00 0.00 C ATOM 1860 CE LYS A 114 5.342 23.221 -46.769 1.00 0.00 C ATOM 1861 NZ LYS A 114 4.923 21.864 -47.206 1.00 0.00 N ATOM 0 H LYS A 114 2.845 26.626 -42.042 1.00 0.00 H new ATOM 0 HA LYS A 114 5.331 27.252 -43.221 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.343 24.973 -43.030 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.026 25.436 -44.089 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.746 25.822 -45.936 1.00 0.00 H new ATOM 0 HG3 LYS A 114 5.966 25.160 -44.865 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.676 23.014 -44.728 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.465 23.675 -45.808 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.220 23.923 -47.594 1.00 0.00 H new ATOM 0 HE3 LYS A 114 6.402 23.210 -46.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 5.494 21.571 -48.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.063 21.190 -46.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 3.918 21.880 -47.474 1.00 0.00 H new ATOM 1875 N LYS A 115 2.635 28.171 -44.912 1.00 0.00 N ATOM 1876 CA LYS A 115 2.123 28.984 -46.015 1.00 0.00 C ATOM 1877 C LYS A 115 2.503 30.455 -45.814 1.00 0.00 C ATOM 1878 O LYS A 115 2.877 31.124 -46.762 1.00 0.00 O ATOM 1879 CB LYS A 115 0.584 28.854 -46.137 1.00 0.00 C ATOM 1880 CG LYS A 115 0.003 29.566 -47.377 1.00 0.00 C ATOM 1881 CD LYS A 115 -1.541 29.565 -47.437 1.00 0.00 C ATOM 1882 CE LYS A 115 -2.062 30.127 -48.773 1.00 0.00 C ATOM 1883 NZ LYS A 115 -1.466 31.451 -49.104 1.00 0.00 N ATOM 0 H LYS A 115 1.904 27.754 -44.335 1.00 0.00 H new ATOM 0 HA LYS A 115 2.575 28.618 -46.937 1.00 0.00 H new ATOM 0 HB2 LYS A 115 0.318 27.798 -46.177 1.00 0.00 H new ATOM 0 HB3 LYS A 115 0.120 29.266 -45.241 1.00 0.00 H new ATOM 0 HG2 LYS A 115 0.356 30.597 -47.390 1.00 0.00 H new ATOM 0 HG3 LYS A 115 0.391 29.085 -48.275 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -1.909 28.548 -47.302 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -1.937 30.159 -46.614 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -1.838 29.421 -49.573 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -3.147 30.222 -48.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -2.124 31.987 -49.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -1.289 31.981 -48.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -0.569 31.311 -49.611 1.00 0.00 H new ATOM 1897 N ARG A 116 2.414 30.925 -44.558 1.00 0.00 N ATOM 1898 CA ARG A 116 2.719 32.317 -44.182 1.00 0.00 C ATOM 1899 C ARG A 116 4.188 32.648 -44.501 1.00 0.00 C ATOM 1900 O ARG A 116 4.500 33.734 -44.999 1.00 0.00 O ATOM 1901 CB ARG A 116 2.422 32.540 -42.672 1.00 0.00 C ATOM 1902 CG ARG A 116 2.626 33.993 -42.186 1.00 0.00 C ATOM 1903 CD ARG A 116 1.666 34.987 -42.866 1.00 0.00 C ATOM 1904 NE ARG A 116 2.030 36.384 -42.570 1.00 0.00 N ATOM 1905 CZ ARG A 116 1.208 37.319 -42.067 1.00 0.00 C ATOM 1906 NH1 ARG A 116 -0.037 37.019 -41.710 1.00 0.00 N ATOM 1907 NH2 ARG A 116 1.650 38.561 -41.912 1.00 0.00 N ATOM 0 H ARG A 116 2.126 30.346 -43.769 1.00 0.00 H new ATOM 0 HA ARG A 116 2.084 32.986 -44.763 1.00 0.00 H new ATOM 0 HB2 ARG A 116 1.393 32.244 -42.470 1.00 0.00 H new ATOM 0 HB3 ARG A 116 3.064 31.881 -42.087 1.00 0.00 H new ATOM 0 HG2 ARG A 116 2.481 34.035 -41.107 1.00 0.00 H new ATOM 0 HG3 ARG A 116 3.655 34.296 -42.381 1.00 0.00 H new ATOM 0 HD2 ARG A 116 1.681 34.828 -43.944 1.00 0.00 H new ATOM 0 HD3 ARG A 116 0.647 34.797 -42.529 1.00 0.00 H new ATOM 0 HE ARG A 116 2.991 36.665 -42.764 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -0.382 36.065 -41.816 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -0.647 37.743 -41.330 1.00 0.00 H new ATOM 0 HH21 ARG A 116 2.607 38.798 -42.174 1.00 0.00 H new ATOM 0 HH22 ARG A 116 1.033 39.278 -41.531 1.00 0.00 H new ATOM 1921 N GLU A 117 5.070 31.680 -44.211 1.00 0.00 N ATOM 1922 CA GLU A 117 6.500 31.752 -44.544 1.00 0.00 C ATOM 1923 C GLU A 117 6.701 31.808 -46.075 1.00 0.00 C ATOM 1924 O GLU A 117 7.539 32.561 -46.570 1.00 0.00 O ATOM 1925 CB GLU A 117 7.229 30.519 -43.937 1.00 0.00 C ATOM 1926 CG GLU A 117 8.733 30.430 -44.266 1.00 0.00 C ATOM 1927 CD GLU A 117 9.411 29.172 -43.700 1.00 0.00 C ATOM 1928 OE1 GLU A 117 10.051 29.257 -42.631 1.00 0.00 O ATOM 1929 OE2 GLU A 117 9.304 28.095 -44.325 1.00 0.00 O ATOM 0 H GLU A 117 4.808 30.817 -43.734 1.00 0.00 H new ATOM 0 HA GLU A 117 6.923 32.663 -44.121 1.00 0.00 H new ATOM 0 HB2 GLU A 117 7.109 30.541 -42.854 1.00 0.00 H new ATOM 0 HB3 GLU A 117 6.739 29.613 -44.294 1.00 0.00 H new ATOM 0 HG2 GLU A 117 8.862 30.447 -45.348 1.00 0.00 H new ATOM 0 HG3 GLU A 117 9.236 31.313 -43.872 1.00 0.00 H new ATOM 1936 N LEU A 118 5.893 31.019 -46.804 1.00 0.00 N ATOM 1937 CA LEU A 118 5.968 30.911 -48.275 1.00 0.00 C ATOM 1938 C LEU A 118 5.514 32.230 -48.949 1.00 0.00 C ATOM 1939 O LEU A 118 6.055 32.626 -49.991 1.00 0.00 O ATOM 1940 CB LEU A 118 5.101 29.712 -48.752 1.00 0.00 C ATOM 1941 CG LEU A 118 5.267 29.278 -50.243 1.00 0.00 C ATOM 1942 CD1 LEU A 118 6.723 28.836 -50.545 1.00 0.00 C ATOM 1943 CD2 LEU A 118 4.257 28.164 -50.607 1.00 0.00 C ATOM 0 H LEU A 118 5.166 30.435 -46.390 1.00 0.00 H new ATOM 0 HA LEU A 118 7.003 30.735 -48.567 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.329 28.854 -48.120 1.00 0.00 H new ATOM 0 HB3 LEU A 118 4.053 29.961 -48.584 1.00 0.00 H new ATOM 0 HG LEU A 118 5.053 30.145 -50.869 1.00 0.00 H new ATOM 0 HD11 LEU A 118 6.804 28.540 -51.591 1.00 0.00 H new ATOM 0 HD12 LEU A 118 7.403 29.665 -50.349 1.00 0.00 H new ATOM 0 HD13 LEU A 118 6.987 27.992 -49.908 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.391 27.878 -51.650 1.00 0.00 H new ATOM 0 HD22 LEU A 118 4.426 27.297 -49.968 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.241 28.531 -50.459 1.00 0.00 H new ATOM 1955 N GLU A 119 4.525 32.902 -48.322 1.00 0.00 N ATOM 1956 CA GLU A 119 4.024 34.217 -48.766 1.00 0.00 C ATOM 1957 C GLU A 119 5.092 35.289 -48.510 1.00 0.00 C ATOM 1958 O GLU A 119 5.326 36.164 -49.347 1.00 0.00 O ATOM 1959 CB GLU A 119 2.708 34.599 -48.024 1.00 0.00 C ATOM 1960 CG GLU A 119 1.548 33.594 -48.163 1.00 0.00 C ATOM 1961 CD GLU A 119 1.220 33.214 -49.614 1.00 0.00 C ATOM 1962 OE1 GLU A 119 0.714 34.072 -50.365 1.00 0.00 O ATOM 1963 OE2 GLU A 119 1.440 32.046 -50.005 1.00 0.00 O ATOM 0 H GLU A 119 4.052 32.546 -47.492 1.00 0.00 H new ATOM 0 HA GLU A 119 3.808 34.158 -49.833 1.00 0.00 H new ATOM 0 HB2 GLU A 119 2.932 34.723 -46.965 1.00 0.00 H new ATOM 0 HB3 GLU A 119 2.372 35.568 -48.394 1.00 0.00 H new ATOM 0 HG2 GLU A 119 1.797 32.689 -47.609 1.00 0.00 H new ATOM 0 HG3 GLU A 119 0.657 34.017 -47.699 1.00 0.00 H new ATOM 1970 N LYS A 120 5.739 35.189 -47.333 1.00 0.00 N ATOM 1971 CA LYS A 120 6.809 36.109 -46.915 1.00 0.00 C ATOM 1972 C LYS A 120 8.015 36.005 -47.856 1.00 0.00 C ATOM 1973 O LYS A 120 8.639 37.014 -48.188 1.00 0.00 O ATOM 1974 CB LYS A 120 7.251 35.800 -45.456 1.00 0.00 C ATOM 1975 CG LYS A 120 8.371 36.726 -44.922 1.00 0.00 C ATOM 1976 CD LYS A 120 7.941 38.215 -44.894 1.00 0.00 C ATOM 1977 CE LYS A 120 9.118 39.177 -44.644 1.00 0.00 C ATOM 1978 NZ LYS A 120 9.791 38.941 -43.341 1.00 0.00 N ATOM 0 H LYS A 120 5.532 34.465 -46.645 1.00 0.00 H new ATOM 0 HA LYS A 120 6.417 37.125 -46.961 1.00 0.00 H new ATOM 0 HB2 LYS A 120 6.384 35.882 -44.801 1.00 0.00 H new ATOM 0 HB3 LYS A 120 7.594 34.767 -45.403 1.00 0.00 H new ATOM 0 HG2 LYS A 120 8.650 36.412 -43.916 1.00 0.00 H new ATOM 0 HG3 LYS A 120 9.257 36.618 -45.547 1.00 0.00 H new ATOM 0 HD2 LYS A 120 7.467 38.468 -45.842 1.00 0.00 H new ATOM 0 HD3 LYS A 120 7.192 38.356 -44.115 1.00 0.00 H new ATOM 0 HE2 LYS A 120 9.846 39.069 -45.448 1.00 0.00 H new ATOM 0 HE3 LYS A 120 8.755 40.204 -44.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 10.574 39.616 -43.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 9.107 39.071 -42.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 10.164 37.971 -43.314 1.00 0.00 H new ATOM 1992 N ARG A 121 8.292 34.767 -48.293 1.00 0.00 N ATOM 1993 CA ARG A 121 9.454 34.422 -49.125 1.00 0.00 C ATOM 1994 C ARG A 121 9.392 35.129 -50.488 1.00 0.00 C ATOM 1995 O ARG A 121 10.427 35.446 -51.076 1.00 0.00 O ATOM 1996 CB ARG A 121 9.519 32.885 -49.295 1.00 0.00 C ATOM 1997 CG ARG A 121 10.841 32.357 -49.888 1.00 0.00 C ATOM 1998 CD ARG A 121 10.919 30.824 -49.869 1.00 0.00 C ATOM 1999 NE ARG A 121 10.713 30.278 -48.511 1.00 0.00 N ATOM 2000 CZ ARG A 121 10.525 28.984 -48.223 1.00 0.00 C ATOM 2001 NH1 ARG A 121 10.541 28.063 -49.180 1.00 0.00 N ATOM 2002 NH2 ARG A 121 10.340 28.613 -46.967 1.00 0.00 N ATOM 0 H ARG A 121 7.704 33.963 -48.074 1.00 0.00 H new ATOM 0 HA ARG A 121 10.362 34.765 -48.629 1.00 0.00 H new ATOM 0 HB2 ARG A 121 9.361 32.419 -48.323 1.00 0.00 H new ATOM 0 HB3 ARG A 121 8.697 32.569 -49.937 1.00 0.00 H new ATOM 0 HG2 ARG A 121 10.943 32.711 -50.914 1.00 0.00 H new ATOM 0 HG3 ARG A 121 11.679 32.768 -49.325 1.00 0.00 H new ATOM 0 HD2 ARG A 121 10.167 30.414 -50.543 1.00 0.00 H new ATOM 0 HD3 ARG A 121 11.891 30.505 -50.245 1.00 0.00 H new ATOM 0 HE ARG A 121 10.714 30.938 -47.733 1.00 0.00 H new ATOM 0 HH11 ARG A 121 10.698 28.338 -50.150 1.00 0.00 H new ATOM 0 HH12 ARG A 121 10.396 27.081 -48.945 1.00 0.00 H new ATOM 0 HH21 ARG A 121 10.341 29.311 -46.224 1.00 0.00 H new ATOM 0 HH22 ARG A 121 10.196 27.629 -46.742 1.00 0.00 H new ATOM 2016 N LEU A 122 8.160 35.391 -50.959 1.00 0.00 N ATOM 2017 CA LEU A 122 7.911 36.123 -52.211 1.00 0.00 C ATOM 2018 C LEU A 122 8.492 37.553 -52.137 1.00 0.00 C ATOM 2019 O LEU A 122 9.117 38.035 -53.091 1.00 0.00 O ATOM 2020 CB LEU A 122 6.387 36.155 -52.503 1.00 0.00 C ATOM 2021 CG LEU A 122 5.956 36.797 -53.862 1.00 0.00 C ATOM 2022 CD1 LEU A 122 6.567 36.046 -55.072 1.00 0.00 C ATOM 2023 CD2 LEU A 122 4.417 36.874 -53.969 1.00 0.00 C ATOM 0 H LEU A 122 7.308 35.100 -50.480 1.00 0.00 H new ATOM 0 HA LEU A 122 8.414 35.607 -53.029 1.00 0.00 H new ATOM 0 HB2 LEU A 122 6.011 35.132 -52.473 1.00 0.00 H new ATOM 0 HB3 LEU A 122 5.895 36.699 -51.696 1.00 0.00 H new ATOM 0 HG LEU A 122 6.349 37.814 -53.885 1.00 0.00 H new ATOM 0 HD11 LEU A 122 6.244 36.523 -55.997 1.00 0.00 H new ATOM 0 HD12 LEU A 122 7.655 36.078 -55.008 1.00 0.00 H new ATOM 0 HD13 LEU A 122 6.233 35.008 -55.063 1.00 0.00 H new ATOM 0 HD21 LEU A 122 4.141 37.324 -54.923 1.00 0.00 H new ATOM 0 HD22 LEU A 122 3.997 35.870 -53.906 1.00 0.00 H new ATOM 0 HD23 LEU A 122 4.026 37.482 -53.154 1.00 0.00 H new ATOM 2035 N GLN A 123 8.305 38.207 -50.978 1.00 0.00 N ATOM 2036 CA GLN A 123 8.806 39.575 -50.737 1.00 0.00 C ATOM 2037 C GLN A 123 10.285 39.546 -50.284 1.00 0.00 C ATOM 2038 O GLN A 123 11.045 40.477 -50.563 1.00 0.00 O ATOM 2039 CB GLN A 123 7.933 40.271 -49.660 1.00 0.00 C ATOM 2040 CG GLN A 123 8.269 41.760 -49.427 1.00 0.00 C ATOM 2041 CD GLN A 123 7.448 42.396 -48.302 1.00 0.00 C ATOM 2042 OE1 GLN A 123 7.856 42.398 -47.138 1.00 0.00 O ATOM 2043 NE2 GLN A 123 6.289 42.934 -48.639 1.00 0.00 N ATOM 0 H GLN A 123 7.805 37.807 -50.184 1.00 0.00 H new ATOM 0 HA GLN A 123 8.745 40.137 -51.669 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.886 40.189 -49.951 1.00 0.00 H new ATOM 0 HB3 GLN A 123 8.045 39.735 -48.718 1.00 0.00 H new ATOM 0 HG2 GLN A 123 9.329 41.854 -49.192 1.00 0.00 H new ATOM 0 HG3 GLN A 123 8.097 42.313 -50.350 1.00 0.00 H new ATOM 0 HE21 GLN A 123 5.981 42.915 -49.611 1.00 0.00 H new ATOM 0 HE22 GLN A 123 5.702 43.368 -47.927 1.00 0.00 H new