USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 625 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 SER OG : rot -81:sc= 0.139 USER MOD Set 1.2: A 92 SER OG : rot 118:sc= 0.841 USER MOD Set 2.1: A 58 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 60 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 29 THR OG1 : rot 73:sc= 0.894 USER MOD Set 3.2: A 43 TYR OH : rot 180:sc= -0.099 USER MOD Single : A 20 MET CE :methyl -155:sc= -0.327 (180deg=-1.08) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -157:sc= 1.03 (180deg=0.103) USER MOD Single : A 24 CYS SG : rot 132:sc= -2.08 USER MOD Single : A 32 CYS SG : rot 82:sc= 0.21 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.195 X(o=-0.2,f=-0.44) USER MOD Single : A 45 ASN : amide:sc= -0.0145 X(o=-0.015,f=-0.015) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0708 USER MOD Single : A 51 THR OG1 : rot -22:sc= 1.02 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.012) USER MOD Single : A 73 THR OG1 : rot 161:sc= 0.613 USER MOD Single : A 76 LYS NZ :NH3+ 160:sc= 0.0763 (180deg=0.019) USER MOD Single : A 79 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0142) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.279 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.186 K(o=-0.19,f=-1.4!) USER MOD Single : A 90 LYS NZ :NH3+ -158:sc= 0.0578 (180deg=-0.0384) USER MOD Single : A 91 TYR OH : rot 180:sc= -1.32 USER MOD ----------------------------------------------------------------- ATOM 260 N ARG A 17 -13.101 -2.203 -0.294 1.00 0.00 N ATOM 261 CA ARG A 17 -11.911 -1.370 -0.167 1.00 0.00 C ATOM 262 C ARG A 17 -11.584 -1.107 1.299 1.00 0.00 C ATOM 263 O ARG A 17 -10.417 -1.069 1.687 1.00 0.00 O ATOM 264 CB ARG A 17 -12.110 -0.044 -0.905 1.00 0.00 C ATOM 265 CG ARG A 17 -11.687 -0.091 -2.363 1.00 0.00 C ATOM 266 CD ARG A 17 -12.623 -0.958 -3.189 1.00 0.00 C ATOM 267 NE ARG A 17 -12.208 -2.359 -3.198 1.00 0.00 N ATOM 268 CZ ARG A 17 -12.620 -3.249 -4.097 1.00 0.00 C ATOM 269 NH1 ARG A 17 -13.459 -2.889 -5.062 1.00 0.00 N ATOM 270 NH2 ARG A 17 -12.193 -4.503 -4.032 1.00 0.00 N ATOM 0 HA ARG A 17 -11.074 -1.905 -0.616 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.161 0.239 -0.849 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.542 0.735 -0.395 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.672 0.920 -2.771 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.671 -0.480 -2.435 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.634 -0.882 -2.789 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.656 -0.583 -4.212 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.564 -2.673 -2.472 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.791 -1.926 -5.116 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.771 -3.576 -5.749 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.549 -4.785 -3.293 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.509 -5.186 -4.721 1.00 0.00 H new ATOM 284 N GLU A 18 -12.622 -0.927 2.110 1.00 0.00 N ATOM 285 CA GLU A 18 -12.444 -0.670 3.535 1.00 0.00 C ATOM 286 C GLU A 18 -11.702 -1.822 4.205 1.00 0.00 C ATOM 287 O GLU A 18 -10.800 -1.607 5.015 1.00 0.00 O ATOM 288 CB GLU A 18 -13.800 -0.458 4.210 1.00 0.00 C ATOM 289 CG GLU A 18 -13.720 0.347 5.497 1.00 0.00 C ATOM 290 CD GLU A 18 -14.018 -0.489 6.727 1.00 0.00 C ATOM 291 OE1 GLU A 18 -13.755 -1.710 6.693 1.00 0.00 O ATOM 292 OE2 GLU A 18 -14.515 0.078 7.723 1.00 0.00 O ATOM 0 H GLU A 18 -13.595 -0.954 1.805 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.848 0.236 3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.467 0.051 3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.245 -1.429 4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.724 0.780 5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.425 1.177 5.447 1.00 0.00 H new ATOM 299 N GLU A 19 -12.089 -3.044 3.860 1.00 0.00 N ATOM 300 CA GLU A 19 -11.460 -4.232 4.425 1.00 0.00 C ATOM 301 C GLU A 19 -10.085 -4.472 3.805 1.00 0.00 C ATOM 302 O GLU A 19 -9.253 -5.176 4.375 1.00 0.00 O ATOM 303 CB GLU A 19 -12.354 -5.457 4.210 1.00 0.00 C ATOM 304 CG GLU A 19 -12.567 -6.283 5.468 1.00 0.00 C ATOM 305 CD GLU A 19 -13.871 -5.953 6.168 1.00 0.00 C ATOM 306 OE1 GLU A 19 -14.310 -4.786 6.087 1.00 0.00 O ATOM 307 OE2 GLU A 19 -14.453 -6.862 6.798 1.00 0.00 O ATOM 0 H GLU A 19 -12.835 -3.239 3.192 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.329 -4.069 5.495 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -13.322 -5.128 3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.911 -6.089 3.441 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.556 -7.342 5.209 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.737 -6.114 6.154 1.00 0.00 H new ATOM 314 N MET A 20 -9.855 -3.888 2.632 1.00 0.00 N ATOM 315 CA MET A 20 -8.582 -4.044 1.938 1.00 0.00 C ATOM 316 C MET A 20 -7.513 -3.133 2.534 1.00 0.00 C ATOM 317 O MET A 20 -6.369 -3.548 2.719 1.00 0.00 O ATOM 318 CB MET A 20 -8.749 -3.747 0.447 1.00 0.00 C ATOM 319 CG MET A 20 -9.360 -4.898 -0.339 1.00 0.00 C ATOM 320 SD MET A 20 -8.240 -6.303 -0.494 1.00 0.00 S ATOM 321 CE MET A 20 -6.849 -5.538 -1.325 1.00 0.00 C ATOM 0 H MET A 20 -10.533 -3.303 2.143 1.00 0.00 H new ATOM 0 HA MET A 20 -8.258 -5.077 2.063 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.377 -2.864 0.329 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.775 -3.505 0.022 1.00 0.00 H new ATOM 0 HG2 MET A 20 -10.278 -5.222 0.152 1.00 0.00 H new ATOM 0 HG3 MET A 20 -9.637 -4.548 -1.333 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.293 -6.296 -1.877 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.212 -4.778 -2.017 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.195 -5.074 -0.587 1.00 0.00 H new ATOM 331 N VAL A 21 -7.887 -1.892 2.833 1.00 0.00 N ATOM 332 CA VAL A 21 -6.945 -0.938 3.408 1.00 0.00 C ATOM 333 C VAL A 21 -6.513 -1.378 4.801 1.00 0.00 C ATOM 334 O VAL A 21 -5.360 -1.200 5.191 1.00 0.00 O ATOM 335 CB VAL A 21 -7.533 0.491 3.475 1.00 0.00 C ATOM 336 CG1 VAL A 21 -8.124 0.888 2.134 1.00 0.00 C ATOM 337 CG2 VAL A 21 -8.579 0.612 4.574 1.00 0.00 C ATOM 0 H VAL A 21 -8.828 -1.526 2.688 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.077 -0.916 2.749 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.718 1.174 3.714 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.533 1.896 2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.346 0.862 1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.918 0.191 1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.971 1.629 4.593 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.393 -0.087 4.381 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.123 0.381 5.537 1.00 0.00 H new ATOM 347 N LYS A 22 -7.445 -1.959 5.547 1.00 0.00 N ATOM 348 CA LYS A 22 -7.151 -2.428 6.892 1.00 0.00 C ATOM 349 C LYS A 22 -6.111 -3.542 6.853 1.00 0.00 C ATOM 350 O LYS A 22 -5.138 -3.531 7.611 1.00 0.00 O ATOM 351 CB LYS A 22 -8.427 -2.922 7.577 1.00 0.00 C ATOM 352 CG LYS A 22 -9.534 -1.884 7.623 1.00 0.00 C ATOM 353 CD LYS A 22 -9.456 -1.042 8.887 1.00 0.00 C ATOM 354 CE LYS A 22 -10.150 0.298 8.707 1.00 0.00 C ATOM 355 NZ LYS A 22 -9.708 1.293 9.722 1.00 0.00 N ATOM 0 H LYS A 22 -8.406 -2.115 5.243 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.747 -1.594 7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.791 -3.806 7.054 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.187 -3.230 8.595 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.464 -1.237 6.749 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.503 -2.381 7.575 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.915 -1.583 9.715 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.412 -0.879 9.153 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.944 0.682 7.708 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.229 0.161 8.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.204 2.193 9.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.928 0.938 10.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.683 1.444 9.637 1.00 0.00 H new ATOM 369 N LYS A 23 -6.320 -4.502 5.955 1.00 0.00 N ATOM 370 CA LYS A 23 -5.400 -5.622 5.805 1.00 0.00 C ATOM 371 C LYS A 23 -3.997 -5.124 5.477 1.00 0.00 C ATOM 372 O LYS A 23 -3.003 -5.733 5.868 1.00 0.00 O ATOM 373 CB LYS A 23 -5.892 -6.573 4.710 1.00 0.00 C ATOM 374 CG LYS A 23 -6.443 -7.885 5.244 1.00 0.00 C ATOM 375 CD LYS A 23 -5.341 -8.918 5.434 1.00 0.00 C ATOM 376 CE LYS A 23 -5.290 -9.425 6.866 1.00 0.00 C ATOM 377 NZ LYS A 23 -4.466 -8.544 7.738 1.00 0.00 N ATOM 0 H LYS A 23 -7.119 -4.525 5.321 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.363 -6.164 6.750 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.667 -6.074 4.128 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.068 -6.785 4.028 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.946 -7.709 6.195 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.192 -8.274 4.554 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.506 -9.756 4.757 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.380 -8.478 5.169 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.302 -9.487 7.265 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.880 -10.435 6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.131 -9.085 8.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.649 -8.190 7.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.041 -7.741 8.063 1.00 0.00 H new ATOM 391 N CYS A 24 -3.927 -4.006 4.761 1.00 0.00 N ATOM 392 CA CYS A 24 -2.646 -3.419 4.387 1.00 0.00 C ATOM 393 C CYS A 24 -1.877 -2.990 5.632 1.00 0.00 C ATOM 394 O CYS A 24 -0.655 -3.125 5.696 1.00 0.00 O ATOM 395 CB CYS A 24 -2.864 -2.222 3.451 1.00 0.00 C ATOM 396 SG CYS A 24 -1.420 -1.148 3.252 1.00 0.00 S ATOM 0 H CYS A 24 -4.741 -3.489 4.429 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.057 -4.169 3.859 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.162 -2.594 2.471 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.694 -1.626 3.832 1.00 0.00 H new ATOM 0 HG CYS A 24 -1.224 -0.914 1.988 1.00 0.00 H new ATOM 402 N LEU A 25 -2.601 -2.476 6.620 1.00 0.00 N ATOM 403 CA LEU A 25 -1.986 -2.034 7.864 1.00 0.00 C ATOM 404 C LEU A 25 -1.293 -3.197 8.564 1.00 0.00 C ATOM 405 O LEU A 25 -0.203 -3.044 9.114 1.00 0.00 O ATOM 406 CB LEU A 25 -3.037 -1.419 8.788 1.00 0.00 C ATOM 407 CG LEU A 25 -2.490 -0.411 9.801 1.00 0.00 C ATOM 408 CD1 LEU A 25 -3.379 0.820 9.866 1.00 0.00 C ATOM 409 CD2 LEU A 25 -2.361 -1.052 11.175 1.00 0.00 C ATOM 0 H LEU A 25 -3.613 -2.356 6.583 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.239 -1.277 7.625 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.793 -0.925 8.177 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.539 -2.221 9.329 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.499 -0.099 9.473 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.973 1.524 10.592 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.418 1.293 8.885 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.384 0.527 10.168 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.971 -0.321 11.883 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.340 -1.394 11.510 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.680 -1.901 11.118 1.00 0.00 H new ATOM 421 N GLY A 26 -1.934 -4.362 8.537 1.00 0.00 N ATOM 422 CA GLY A 26 -1.363 -5.536 9.170 1.00 0.00 C ATOM 423 C GLY A 26 -0.223 -6.136 8.369 1.00 0.00 C ATOM 424 O GLY A 26 0.875 -6.335 8.892 1.00 0.00 O ATOM 0 H GLY A 26 -2.838 -4.513 8.088 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.003 -5.269 10.164 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.142 -6.287 9.304 1.00 0.00 H new ATOM 428 N GLU A 27 -0.482 -6.427 7.097 1.00 0.00 N ATOM 429 CA GLU A 27 0.530 -7.009 6.220 1.00 0.00 C ATOM 430 C GLU A 27 1.800 -6.164 6.213 1.00 0.00 C ATOM 431 O GLU A 27 2.907 -6.689 6.338 1.00 0.00 O ATOM 432 CB GLU A 27 -0.016 -7.148 4.797 1.00 0.00 C ATOM 433 CG GLU A 27 -0.489 -8.552 4.462 1.00 0.00 C ATOM 434 CD GLU A 27 -1.904 -8.821 4.937 1.00 0.00 C ATOM 435 OE1 GLU A 27 -2.257 -8.358 6.043 1.00 0.00 O ATOM 436 OE2 GLU A 27 -2.658 -9.494 4.204 1.00 0.00 O ATOM 0 H GLU A 27 -1.385 -6.269 6.650 1.00 0.00 H new ATOM 0 HA GLU A 27 0.780 -7.998 6.603 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.845 -6.453 4.665 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.760 -6.856 4.089 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.438 -8.701 3.383 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.187 -9.277 4.916 1.00 0.00 H new ATOM 443 N LEU A 28 1.634 -4.854 6.069 1.00 0.00 N ATOM 444 CA LEU A 28 2.770 -3.940 6.047 1.00 0.00 C ATOM 445 C LEU A 28 3.566 -4.033 7.344 1.00 0.00 C ATOM 446 O LEU A 28 4.779 -3.829 7.354 1.00 0.00 O ATOM 447 CB LEU A 28 2.299 -2.502 5.825 1.00 0.00 C ATOM 448 CG LEU A 28 2.105 -2.096 4.360 1.00 0.00 C ATOM 449 CD1 LEU A 28 1.817 -0.608 4.256 1.00 0.00 C ATOM 450 CD2 LEU A 28 3.331 -2.462 3.533 1.00 0.00 C ATOM 0 H LEU A 28 0.726 -4.402 5.966 1.00 0.00 H new ATOM 0 HA LEU A 28 3.418 -4.230 5.220 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.356 -2.361 6.352 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.023 -1.826 6.280 1.00 0.00 H new ATOM 0 HG LEU A 28 1.250 -2.643 3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.682 -0.336 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.909 -0.373 4.812 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.653 -0.046 4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.172 -2.165 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.205 -1.944 3.929 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.494 -3.539 3.581 1.00 0.00 H new ATOM 462 N THR A 29 2.877 -4.346 8.437 1.00 0.00 N ATOM 463 CA THR A 29 3.528 -4.469 9.736 1.00 0.00 C ATOM 464 C THR A 29 4.610 -5.543 9.693 1.00 0.00 C ATOM 465 O THR A 29 5.733 -5.324 10.147 1.00 0.00 O ATOM 466 CB THR A 29 2.504 -4.808 10.820 1.00 0.00 C ATOM 467 OG1 THR A 29 1.403 -3.918 10.767 1.00 0.00 O ATOM 468 CG2 THR A 29 3.074 -4.750 12.221 1.00 0.00 C ATOM 0 H THR A 29 1.872 -4.518 8.449 1.00 0.00 H new ATOM 0 HA THR A 29 3.991 -3.511 9.975 1.00 0.00 H new ATOM 0 HB THR A 29 2.194 -5.832 10.613 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.849 -4.129 9.986 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.295 -5.001 12.941 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.894 -5.463 12.310 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.444 -3.745 12.422 1.00 0.00 H new ATOM 476 N GLU A 30 4.265 -6.701 9.140 1.00 0.00 N ATOM 477 CA GLU A 30 5.206 -7.810 9.034 1.00 0.00 C ATOM 478 C GLU A 30 6.445 -7.400 8.241 1.00 0.00 C ATOM 479 O GLU A 30 7.563 -7.445 8.752 1.00 0.00 O ATOM 480 CB GLU A 30 4.538 -9.014 8.368 1.00 0.00 C ATOM 481 CG GLU A 30 3.770 -9.897 9.337 1.00 0.00 C ATOM 482 CD GLU A 30 4.632 -10.389 10.484 1.00 0.00 C ATOM 483 OE1 GLU A 30 5.660 -11.045 10.216 1.00 0.00 O ATOM 484 OE2 GLU A 30 4.278 -10.117 11.651 1.00 0.00 O ATOM 0 H GLU A 30 3.340 -6.896 8.758 1.00 0.00 H new ATOM 0 HA GLU A 30 5.515 -8.086 10.042 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.857 -8.659 7.595 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.301 -9.613 7.870 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.922 -9.340 9.737 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.364 -10.753 8.799 1.00 0.00 H new ATOM 491 N VAL A 31 6.237 -6.999 6.989 1.00 0.00 N ATOM 492 CA VAL A 31 7.337 -6.581 6.125 1.00 0.00 C ATOM 493 C VAL A 31 8.206 -5.529 6.810 1.00 0.00 C ATOM 494 O VAL A 31 9.432 -5.559 6.707 1.00 0.00 O ATOM 495 CB VAL A 31 6.819 -6.023 4.786 1.00 0.00 C ATOM 496 CG1 VAL A 31 5.795 -4.930 5.029 1.00 0.00 C ATOM 497 CG2 VAL A 31 7.968 -5.510 3.925 1.00 0.00 C ATOM 0 H VAL A 31 5.317 -6.955 6.551 1.00 0.00 H new ATOM 0 HA VAL A 31 7.940 -7.467 5.927 1.00 0.00 H new ATOM 0 HB VAL A 31 6.334 -6.834 4.243 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.439 -4.546 4.073 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.955 -5.337 5.592 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.254 -4.121 5.596 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.574 -5.122 2.986 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.493 -4.715 4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.660 -6.326 3.718 1.00 0.00 H new ATOM 507 N CYS A 32 7.562 -4.603 7.511 1.00 0.00 N ATOM 508 CA CYS A 32 8.277 -3.545 8.215 1.00 0.00 C ATOM 509 C CYS A 32 9.231 -4.134 9.250 1.00 0.00 C ATOM 510 O CYS A 32 10.413 -3.794 9.285 1.00 0.00 O ATOM 511 CB CYS A 32 7.289 -2.596 8.895 1.00 0.00 C ATOM 512 SG CYS A 32 6.561 -1.371 7.784 1.00 0.00 S ATOM 0 H CYS A 32 6.547 -4.563 7.607 1.00 0.00 H new ATOM 0 HA CYS A 32 8.860 -2.985 7.484 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.489 -3.183 9.346 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.800 -2.077 9.706 1.00 0.00 H new ATOM 0 HG CYS A 32 5.570 -1.908 7.136 1.00 0.00 H new ATOM 518 N LYS A 33 8.709 -5.022 10.091 1.00 0.00 N ATOM 519 CA LYS A 33 9.514 -5.662 11.125 1.00 0.00 C ATOM 520 C LYS A 33 10.677 -6.432 10.506 1.00 0.00 C ATOM 521 O LYS A 33 11.823 -6.294 10.934 1.00 0.00 O ATOM 522 CB LYS A 33 8.653 -6.610 11.963 1.00 0.00 C ATOM 523 CG LYS A 33 7.301 -6.029 12.345 1.00 0.00 C ATOM 524 CD LYS A 33 7.036 -6.163 13.836 1.00 0.00 C ATOM 525 CE LYS A 33 5.906 -5.250 14.285 1.00 0.00 C ATOM 526 NZ LYS A 33 5.873 -5.094 15.766 1.00 0.00 N ATOM 0 H LYS A 33 7.732 -5.314 10.076 1.00 0.00 H new ATOM 0 HA LYS A 33 9.916 -4.881 11.771 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.497 -7.534 11.406 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.196 -6.873 12.871 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.263 -4.977 12.061 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.515 -6.538 11.788 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.785 -7.197 14.070 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.943 -5.922 14.391 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.023 -4.271 13.819 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.954 -5.655 13.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.089 -4.464 16.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.736 -6.024 16.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.771 -4.684 16.092 1.00 0.00 H new ATOM 540 N SER A 34 10.373 -7.242 9.496 1.00 0.00 N ATOM 541 CA SER A 34 11.392 -8.034 8.817 1.00 0.00 C ATOM 542 C SER A 34 12.491 -7.138 8.253 1.00 0.00 C ATOM 543 O SER A 34 13.648 -7.544 8.155 1.00 0.00 O ATOM 544 CB SER A 34 10.762 -8.856 7.692 1.00 0.00 C ATOM 545 OG SER A 34 10.389 -10.145 8.148 1.00 0.00 O ATOM 0 H SER A 34 9.429 -7.367 9.130 1.00 0.00 H new ATOM 0 HA SER A 34 11.838 -8.710 9.547 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.886 -8.336 7.305 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.468 -8.949 6.867 1.00 0.00 H new ATOM 0 HG SER A 34 9.987 -10.649 7.410 1.00 0.00 H new ATOM 551 N LEU A 35 12.119 -5.916 7.885 1.00 0.00 N ATOM 552 CA LEU A 35 13.071 -4.961 7.333 1.00 0.00 C ATOM 553 C LEU A 35 13.949 -4.373 8.433 1.00 0.00 C ATOM 554 O LEU A 35 15.101 -4.011 8.196 1.00 0.00 O ATOM 555 CB LEU A 35 12.335 -3.839 6.599 1.00 0.00 C ATOM 556 CG LEU A 35 11.807 -4.208 5.211 1.00 0.00 C ATOM 557 CD1 LEU A 35 11.067 -3.033 4.590 1.00 0.00 C ATOM 558 CD2 LEU A 35 12.948 -4.661 4.312 1.00 0.00 C ATOM 0 H LEU A 35 11.164 -5.565 7.959 1.00 0.00 H new ATOM 0 HA LEU A 35 13.709 -5.490 6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.497 -3.512 7.214 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.009 -2.988 6.500 1.00 0.00 H new ATOM 0 HG LEU A 35 11.104 -5.035 5.317 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.699 -3.315 3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.226 -2.756 5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.745 -2.185 4.496 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.556 -4.920 3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.675 -3.855 4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.432 -5.534 4.751 1.00 0.00 H new ATOM 570 N GLY A 36 13.395 -4.277 9.638 1.00 0.00 N ATOM 571 CA GLY A 36 14.142 -3.729 10.755 1.00 0.00 C ATOM 572 C GLY A 36 15.211 -4.676 11.261 1.00 0.00 C ATOM 573 O GLY A 36 16.354 -4.274 11.479 1.00 0.00 O ATOM 0 H GLY A 36 12.443 -4.569 9.860 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.607 -2.791 10.451 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.454 -3.495 11.568 1.00 0.00 H new ATOM 577 N LYS A 37 14.840 -5.939 11.448 1.00 0.00 N ATOM 578 CA LYS A 37 15.777 -6.947 11.933 1.00 0.00 C ATOM 579 C LYS A 37 16.961 -7.100 10.983 1.00 0.00 C ATOM 580 O LYS A 37 18.037 -7.540 11.387 1.00 0.00 O ATOM 581 CB LYS A 37 15.066 -8.291 12.102 1.00 0.00 C ATOM 582 CG LYS A 37 14.423 -8.805 10.825 1.00 0.00 C ATOM 583 CD LYS A 37 13.426 -9.916 11.112 1.00 0.00 C ATOM 584 CE LYS A 37 14.103 -11.124 11.736 1.00 0.00 C ATOM 585 NZ LYS A 37 13.269 -12.352 11.616 1.00 0.00 N ATOM 0 H LYS A 37 13.898 -6.289 11.271 1.00 0.00 H new ATOM 0 HA LYS A 37 16.156 -6.617 12.900 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.783 -9.029 12.460 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.299 -8.193 12.871 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.918 -7.985 10.315 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.196 -9.173 10.150 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.650 -9.546 11.782 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.933 -10.212 10.186 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.066 -11.290 11.253 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.305 -10.924 12.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.766 -13.154 12.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.360 -12.203 12.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.097 -12.558 10.611 1.00 0.00 H new ATOM 599 N VAL A 38 16.758 -6.739 9.719 1.00 0.00 N ATOM 600 CA VAL A 38 17.813 -6.843 8.718 1.00 0.00 C ATOM 601 C VAL A 38 18.611 -5.547 8.612 1.00 0.00 C ATOM 602 O VAL A 38 19.817 -5.569 8.363 1.00 0.00 O ATOM 603 CB VAL A 38 17.242 -7.193 7.334 1.00 0.00 C ATOM 604 CG1 VAL A 38 16.631 -8.586 7.343 1.00 0.00 C ATOM 605 CG2 VAL A 38 16.219 -6.158 6.908 1.00 0.00 C ATOM 0 H VAL A 38 15.874 -6.373 9.365 1.00 0.00 H new ATOM 0 HA VAL A 38 18.475 -7.645 9.045 1.00 0.00 H new ATOM 0 HB VAL A 38 18.058 -7.187 6.611 1.00 0.00 H new ATOM 0 HG11 VAL A 38 16.232 -8.815 6.355 1.00 0.00 H new ATOM 0 HG12 VAL A 38 17.396 -9.317 7.604 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.826 -8.625 8.077 1.00 0.00 H new ATOM 0 HG21 VAL A 38 15.824 -6.420 5.926 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.404 -6.132 7.632 1.00 0.00 H new ATOM 0 HG23 VAL A 38 16.692 -5.177 6.859 1.00 0.00 H new ATOM 615 N PHE A 39 17.933 -4.419 8.802 1.00 0.00 N ATOM 616 CA PHE A 39 18.585 -3.116 8.724 1.00 0.00 C ATOM 617 C PHE A 39 18.986 -2.611 10.110 1.00 0.00 C ATOM 618 O PHE A 39 19.245 -1.422 10.295 1.00 0.00 O ATOM 619 CB PHE A 39 17.665 -2.102 8.044 1.00 0.00 C ATOM 620 CG PHE A 39 17.755 -2.126 6.544 1.00 0.00 C ATOM 621 CD1 PHE A 39 18.820 -1.526 5.892 1.00 0.00 C ATOM 622 CD2 PHE A 39 16.775 -2.747 5.787 1.00 0.00 C ATOM 623 CE1 PHE A 39 18.907 -1.546 4.513 1.00 0.00 C ATOM 624 CE2 PHE A 39 16.856 -2.771 4.407 1.00 0.00 C ATOM 625 CZ PHE A 39 17.923 -2.169 3.770 1.00 0.00 C ATOM 0 H PHE A 39 16.935 -4.381 9.010 1.00 0.00 H new ATOM 0 HA PHE A 39 19.491 -3.232 8.130 1.00 0.00 H new ATOM 0 HB2 PHE A 39 16.635 -2.300 8.342 1.00 0.00 H new ATOM 0 HB3 PHE A 39 17.913 -1.102 8.399 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.591 -1.037 6.468 1.00 0.00 H new ATOM 0 HD2 PHE A 39 15.938 -3.218 6.281 1.00 0.00 H new ATOM 0 HE1 PHE A 39 19.743 -1.075 4.017 1.00 0.00 H new ATOM 0 HE2 PHE A 39 16.086 -3.260 3.828 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.988 -2.185 2.692 1.00 0.00 H new ATOM 635 N GLY A 40 19.041 -3.522 11.080 1.00 0.00 N ATOM 636 CA GLY A 40 19.417 -3.149 12.432 1.00 0.00 C ATOM 637 C GLY A 40 18.622 -1.970 12.965 1.00 0.00 C ATOM 638 O GLY A 40 19.169 -1.104 13.648 1.00 0.00 O ATOM 0 H GLY A 40 18.831 -4.512 10.952 1.00 0.00 H new ATOM 0 HA2 GLY A 40 19.274 -4.005 13.092 1.00 0.00 H new ATOM 0 HA3 GLY A 40 20.479 -2.904 12.453 1.00 0.00 H new ATOM 642 N VAL A 41 17.331 -1.938 12.656 1.00 0.00 N ATOM 643 CA VAL A 41 16.465 -0.857 13.114 1.00 0.00 C ATOM 644 C VAL A 41 15.166 -1.403 13.697 1.00 0.00 C ATOM 645 O VAL A 41 14.803 -2.555 13.462 1.00 0.00 O ATOM 646 CB VAL A 41 16.136 0.129 11.977 1.00 0.00 C ATOM 647 CG1 VAL A 41 17.335 1.012 11.671 1.00 0.00 C ATOM 648 CG2 VAL A 41 15.685 -0.618 10.731 1.00 0.00 C ATOM 0 H VAL A 41 16.861 -2.646 12.092 1.00 0.00 H new ATOM 0 HA VAL A 41 17.013 -0.324 13.891 1.00 0.00 H new ATOM 0 HB VAL A 41 15.316 0.768 12.305 1.00 0.00 H new ATOM 0 HG11 VAL A 41 17.083 1.702 10.865 1.00 0.00 H new ATOM 0 HG12 VAL A 41 17.606 1.578 12.562 1.00 0.00 H new ATOM 0 HG13 VAL A 41 18.177 0.390 11.366 1.00 0.00 H new ATOM 0 HG21 VAL A 41 15.458 0.097 9.940 1.00 0.00 H new ATOM 0 HG22 VAL A 41 16.480 -1.285 10.399 1.00 0.00 H new ATOM 0 HG23 VAL A 41 14.793 -1.202 10.960 1.00 0.00 H new ATOM 658 N HIS A 42 14.471 -0.567 14.464 1.00 0.00 N ATOM 659 CA HIS A 42 13.215 -0.965 15.088 1.00 0.00 C ATOM 660 C HIS A 42 12.052 -0.857 14.106 1.00 0.00 C ATOM 661 O HIS A 42 12.151 -0.188 13.078 1.00 0.00 O ATOM 662 CB HIS A 42 12.939 -0.103 16.320 1.00 0.00 C ATOM 663 CG HIS A 42 13.480 -0.683 17.590 1.00 0.00 C ATOM 664 ND1 HIS A 42 14.341 -1.761 17.618 1.00 0.00 N ATOM 665 CD2 HIS A 42 13.279 -0.331 18.882 1.00 0.00 C ATOM 666 CE1 HIS A 42 14.645 -2.046 18.871 1.00 0.00 C ATOM 667 NE2 HIS A 42 14.014 -1.193 19.657 1.00 0.00 N ATOM 0 H HIS A 42 14.758 0.390 14.668 1.00 0.00 H new ATOM 0 HA HIS A 42 13.308 -2.007 15.393 1.00 0.00 H new ATOM 0 HB2 HIS A 42 13.374 0.885 16.167 1.00 0.00 H new ATOM 0 HB3 HIS A 42 11.863 0.035 16.423 1.00 0.00 H new ATOM 0 HD2 HIS A 42 12.656 0.477 19.237 1.00 0.00 H new ATOM 0 HE1 HIS A 42 15.299 -2.841 19.197 1.00 0.00 H new ATOM 0 HE2 HIS A 42 14.065 -1.177 20.676 1.00 0.00 H new ATOM 676 N TYR A 43 10.948 -1.523 14.435 1.00 0.00 N ATOM 677 CA TYR A 43 9.757 -1.510 13.592 1.00 0.00 C ATOM 678 C TYR A 43 9.330 -0.079 13.268 1.00 0.00 C ATOM 679 O TYR A 43 9.179 0.286 12.102 1.00 0.00 O ATOM 680 CB TYR A 43 8.615 -2.262 14.289 1.00 0.00 C ATOM 681 CG TYR A 43 7.250 -2.023 13.679 1.00 0.00 C ATOM 682 CD1 TYR A 43 7.056 -2.106 12.305 1.00 0.00 C ATOM 683 CD2 TYR A 43 6.156 -1.717 14.479 1.00 0.00 C ATOM 684 CE1 TYR A 43 5.811 -1.889 11.747 1.00 0.00 C ATOM 685 CE2 TYR A 43 4.908 -1.498 13.927 1.00 0.00 C ATOM 686 CZ TYR A 43 4.741 -1.585 12.562 1.00 0.00 C ATOM 687 OH TYR A 43 3.499 -1.369 12.010 1.00 0.00 O ATOM 0 H TYR A 43 10.854 -2.081 15.284 1.00 0.00 H new ATOM 0 HA TYR A 43 9.994 -2.011 12.653 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.830 -3.330 14.263 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.588 -1.967 15.338 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.892 -2.344 11.664 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.283 -1.649 15.549 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.676 -1.957 10.678 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.068 -1.260 14.562 1.00 0.00 H new ATOM 0 HH TYR A 43 2.856 -1.167 12.721 1.00 0.00 H new ATOM 697 N PHE A 44 9.135 0.725 14.308 1.00 0.00 N ATOM 698 CA PHE A 44 8.724 2.114 14.135 1.00 0.00 C ATOM 699 C PHE A 44 9.737 2.888 13.295 1.00 0.00 C ATOM 700 O PHE A 44 9.403 3.904 12.685 1.00 0.00 O ATOM 701 CB PHE A 44 8.553 2.789 15.496 1.00 0.00 C ATOM 702 CG PHE A 44 7.268 2.428 16.187 1.00 0.00 C ATOM 703 CD1 PHE A 44 6.049 2.823 15.660 1.00 0.00 C ATOM 704 CD2 PHE A 44 7.281 1.695 17.363 1.00 0.00 C ATOM 705 CE1 PHE A 44 4.866 2.492 16.293 1.00 0.00 C ATOM 706 CE2 PHE A 44 6.101 1.361 18.000 1.00 0.00 C ATOM 707 CZ PHE A 44 4.891 1.760 17.464 1.00 0.00 C ATOM 0 H PHE A 44 9.255 0.439 15.280 1.00 0.00 H new ATOM 0 HA PHE A 44 7.769 2.118 13.609 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.391 2.514 16.137 1.00 0.00 H new ATOM 0 HB3 PHE A 44 8.594 3.870 15.364 1.00 0.00 H new ATOM 0 HD1 PHE A 44 6.023 3.396 14.745 1.00 0.00 H new ATOM 0 HD2 PHE A 44 8.224 1.381 17.786 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.922 2.806 15.872 1.00 0.00 H new ATOM 0 HE2 PHE A 44 6.124 0.789 18.916 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.967 1.500 17.960 1.00 0.00 H new ATOM 717 N ASN A 45 10.975 2.403 13.267 1.00 0.00 N ATOM 718 CA ASN A 45 12.032 3.054 12.502 1.00 0.00 C ATOM 719 C ASN A 45 11.724 3.029 11.007 1.00 0.00 C ATOM 720 O ASN A 45 12.132 3.924 10.266 1.00 0.00 O ATOM 721 CB ASN A 45 13.376 2.372 12.770 1.00 0.00 C ATOM 722 CG ASN A 45 14.488 3.369 13.028 1.00 0.00 C ATOM 723 OD1 ASN A 45 14.687 3.814 14.159 1.00 0.00 O ATOM 724 ND2 ASN A 45 15.220 3.726 11.980 1.00 0.00 N ATOM 0 H ASN A 45 11.270 1.563 13.765 1.00 0.00 H new ATOM 0 HA ASN A 45 12.088 4.094 12.822 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.279 1.709 13.630 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.641 1.749 11.916 1.00 0.00 H new ATOM 0 HD21 ASN A 45 15.982 4.394 12.094 1.00 0.00 H new ATOM 0 HD22 ASN A 45 15.020 3.332 11.060 1.00 0.00 H new ATOM 731 N ILE A 46 11.005 2.001 10.569 1.00 0.00 N ATOM 732 CA ILE A 46 10.649 1.865 9.161 1.00 0.00 C ATOM 733 C ILE A 46 9.595 2.889 8.756 1.00 0.00 C ATOM 734 O ILE A 46 9.867 3.796 7.969 1.00 0.00 O ATOM 735 CB ILE A 46 10.119 0.452 8.847 1.00 0.00 C ATOM 736 CG1 ILE A 46 11.060 -0.608 9.421 1.00 0.00 C ATOM 737 CG2 ILE A 46 9.957 0.269 7.346 1.00 0.00 C ATOM 738 CD1 ILE A 46 12.477 -0.504 8.902 1.00 0.00 C ATOM 0 H ILE A 46 10.658 1.251 11.167 1.00 0.00 H new ATOM 0 HA ILE A 46 11.561 2.040 8.590 1.00 0.00 H new ATOM 0 HB ILE A 46 9.142 0.334 9.315 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.072 -0.521 10.507 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.667 -1.597 9.185 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.582 -0.734 7.140 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.251 1.006 6.964 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.922 0.403 6.857 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.088 -1.287 9.352 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.477 -0.621 7.818 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.889 0.471 9.161 1.00 0.00 H new ATOM 750 N PHE A 47 8.390 2.741 9.299 1.00 0.00 N ATOM 751 CA PHE A 47 7.295 3.654 8.993 1.00 0.00 C ATOM 752 C PHE A 47 6.506 4.001 10.251 1.00 0.00 C ATOM 753 O PHE A 47 6.320 3.162 11.131 1.00 0.00 O ATOM 754 CB PHE A 47 6.361 3.035 7.947 1.00 0.00 C ATOM 755 CG PHE A 47 6.894 3.072 6.537 1.00 0.00 C ATOM 756 CD1 PHE A 47 7.829 4.021 6.147 1.00 0.00 C ATOM 757 CD2 PHE A 47 6.452 2.152 5.599 1.00 0.00 C ATOM 758 CE1 PHE A 47 8.310 4.050 4.852 1.00 0.00 C ATOM 759 CE2 PHE A 47 6.931 2.176 4.302 1.00 0.00 C ATOM 760 CZ PHE A 47 7.861 3.126 3.929 1.00 0.00 C ATOM 0 H PHE A 47 8.148 1.997 9.953 1.00 0.00 H new ATOM 0 HA PHE A 47 7.725 4.571 8.590 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.164 1.999 8.221 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.406 3.559 7.975 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.185 4.746 6.865 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.724 1.407 5.885 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.036 4.795 4.562 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.578 1.453 3.582 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.237 3.146 2.917 1.00 0.00 H new ATOM 770 N ASN A 48 6.045 5.245 10.326 1.00 0.00 N ATOM 771 CA ASN A 48 5.273 5.709 11.473 1.00 0.00 C ATOM 772 C ASN A 48 3.798 5.357 11.313 1.00 0.00 C ATOM 773 O ASN A 48 3.349 5.006 10.222 1.00 0.00 O ATOM 774 CB ASN A 48 5.434 7.220 11.645 1.00 0.00 C ATOM 775 CG ASN A 48 6.602 7.579 12.542 1.00 0.00 C ATOM 776 OD1 ASN A 48 6.590 7.297 13.739 1.00 0.00 O ATOM 777 ND2 ASN A 48 7.620 8.207 11.964 1.00 0.00 N ATOM 0 H ASN A 48 6.193 5.951 9.605 1.00 0.00 H new ATOM 0 HA ASN A 48 5.653 5.207 12.363 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.575 7.681 10.667 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.517 7.635 12.064 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.434 8.475 12.517 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.587 8.421 10.967 1.00 0.00 H new ATOM 784 N THR A 49 3.047 5.452 12.408 1.00 0.00 N ATOM 785 CA THR A 49 1.620 5.143 12.390 1.00 0.00 C ATOM 786 C THR A 49 0.918 5.853 11.234 1.00 0.00 C ATOM 787 O THR A 49 0.095 5.259 10.537 1.00 0.00 O ATOM 788 CB THR A 49 0.975 5.547 13.717 1.00 0.00 C ATOM 789 OG1 THR A 49 1.856 5.302 14.798 1.00 0.00 O ATOM 790 CG2 THR A 49 -0.317 4.811 14.002 1.00 0.00 C ATOM 0 H THR A 49 3.404 5.741 13.319 1.00 0.00 H new ATOM 0 HA THR A 49 1.510 4.068 12.249 1.00 0.00 H new ATOM 0 HB THR A 49 0.756 6.610 13.620 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.426 5.568 15.637 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.722 5.144 14.957 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.037 5.019 13.210 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.124 3.739 14.044 1.00 0.00 H new ATOM 798 N VAL A 50 1.249 7.125 11.037 1.00 0.00 N ATOM 799 CA VAL A 50 0.651 7.913 9.966 1.00 0.00 C ATOM 800 C VAL A 50 1.003 7.337 8.598 1.00 0.00 C ATOM 801 O VAL A 50 0.231 7.457 7.646 1.00 0.00 O ATOM 802 CB VAL A 50 1.109 9.381 10.022 1.00 0.00 C ATOM 803 CG1 VAL A 50 0.379 10.128 11.126 1.00 0.00 C ATOM 804 CG2 VAL A 50 2.612 9.460 10.216 1.00 0.00 C ATOM 0 H VAL A 50 1.928 7.632 11.605 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.429 7.872 10.111 1.00 0.00 H new ATOM 0 HB VAL A 50 0.862 9.857 9.073 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.717 11.164 11.149 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.694 10.100 10.936 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.590 9.656 12.086 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.920 10.505 10.253 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.885 8.968 11.149 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.113 8.964 9.385 1.00 0.00 H new ATOM 814 N THR A 51 2.172 6.711 8.509 1.00 0.00 N ATOM 815 CA THR A 51 2.628 6.117 7.258 1.00 0.00 C ATOM 816 C THR A 51 1.887 4.815 6.969 1.00 0.00 C ATOM 817 O THR A 51 1.367 4.616 5.871 1.00 0.00 O ATOM 818 CB THR A 51 4.135 5.859 7.317 1.00 0.00 C ATOM 819 OG1 THR A 51 4.844 7.073 7.497 1.00 0.00 O ATOM 820 CG2 THR A 51 4.680 5.191 6.072 1.00 0.00 C ATOM 0 H THR A 51 2.821 6.602 9.289 1.00 0.00 H new ATOM 0 HA THR A 51 2.415 6.818 6.451 1.00 0.00 H new ATOM 0 HB THR A 51 4.279 5.186 8.162 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.290 7.823 7.197 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.754 5.038 6.182 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.189 4.228 5.931 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.491 5.825 5.206 1.00 0.00 H new ATOM 828 N LEU A 52 1.843 3.930 7.961 1.00 0.00 N ATOM 829 CA LEU A 52 1.167 2.644 7.813 1.00 0.00 C ATOM 830 C LEU A 52 -0.264 2.831 7.321 1.00 0.00 C ATOM 831 O LEU A 52 -0.715 2.134 6.410 1.00 0.00 O ATOM 832 CB LEU A 52 1.165 1.890 9.145 1.00 0.00 C ATOM 833 CG LEU A 52 2.548 1.509 9.675 1.00 0.00 C ATOM 834 CD1 LEU A 52 2.570 1.561 11.195 1.00 0.00 C ATOM 835 CD2 LEU A 52 2.944 0.125 9.181 1.00 0.00 C ATOM 0 H LEU A 52 2.267 4.080 8.876 1.00 0.00 H new ATOM 0 HA LEU A 52 1.712 2.060 7.071 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.663 2.505 9.892 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.574 0.982 9.030 1.00 0.00 H new ATOM 0 HG LEU A 52 3.273 2.230 9.297 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.562 1.287 11.554 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.330 2.571 11.528 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.834 0.863 11.594 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.931 -0.131 9.567 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.217 -0.608 9.530 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.969 0.121 8.091 1.00 0.00 H new ATOM 847 N LYS A 53 -0.976 3.775 7.928 1.00 0.00 N ATOM 848 CA LYS A 53 -2.356 4.053 7.549 1.00 0.00 C ATOM 849 C LYS A 53 -2.424 4.627 6.138 1.00 0.00 C ATOM 850 O LYS A 53 -3.352 4.338 5.383 1.00 0.00 O ATOM 851 CB LYS A 53 -2.994 5.026 8.542 1.00 0.00 C ATOM 852 CG LYS A 53 -2.251 6.348 8.662 1.00 0.00 C ATOM 853 CD LYS A 53 -2.908 7.263 9.683 1.00 0.00 C ATOM 854 CE LYS A 53 -2.670 6.776 11.103 1.00 0.00 C ATOM 855 NZ LYS A 53 -3.583 7.434 12.077 1.00 0.00 N ATOM 0 H LYS A 53 -0.620 4.360 8.684 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.910 3.114 7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.021 5.223 8.236 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.039 4.553 9.523 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.217 6.161 8.951 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.226 6.842 7.691 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.515 8.274 9.573 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.980 7.315 9.490 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.812 5.696 11.145 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.636 6.972 11.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.388 7.074 13.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.430 8.462 12.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.570 7.226 11.823 1.00 0.00 H new ATOM 869 N LYS A 54 -1.435 5.443 5.788 1.00 0.00 N ATOM 870 CA LYS A 54 -1.381 6.058 4.467 1.00 0.00 C ATOM 871 C LYS A 54 -1.299 4.993 3.377 1.00 0.00 C ATOM 872 O LYS A 54 -2.129 4.955 2.469 1.00 0.00 O ATOM 873 CB LYS A 54 -0.183 7.006 4.373 1.00 0.00 C ATOM 874 CG LYS A 54 -0.576 8.467 4.230 1.00 0.00 C ATOM 875 CD LYS A 54 -1.172 9.013 5.518 1.00 0.00 C ATOM 876 CE LYS A 54 -1.935 10.305 5.276 1.00 0.00 C ATOM 877 NZ LYS A 54 -3.405 10.079 5.204 1.00 0.00 N ATOM 0 H LYS A 54 -0.660 5.694 6.401 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.296 6.631 4.318 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.433 6.889 5.264 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.432 6.718 3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.300 9.055 3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.298 8.573 3.420 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.841 8.271 5.954 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.376 9.189 6.242 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.715 11.011 6.077 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.592 10.760 4.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.888 10.985 5.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.618 9.425 4.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.737 9.669 6.100 1.00 0.00 H new ATOM 891 N LEU A 55 -0.295 4.125 3.476 1.00 0.00 N ATOM 892 CA LEU A 55 -0.110 3.052 2.502 1.00 0.00 C ATOM 893 C LEU A 55 -1.389 2.231 2.338 1.00 0.00 C ATOM 894 O LEU A 55 -1.610 1.609 1.300 1.00 0.00 O ATOM 895 CB LEU A 55 1.039 2.134 2.932 1.00 0.00 C ATOM 896 CG LEU A 55 2.443 2.573 2.495 1.00 0.00 C ATOM 897 CD1 LEU A 55 2.665 4.054 2.762 1.00 0.00 C ATOM 898 CD2 LEU A 55 3.501 1.744 3.204 1.00 0.00 C ATOM 0 H LEU A 55 0.402 4.143 4.220 1.00 0.00 H new ATOM 0 HA LEU A 55 0.134 3.510 1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.026 2.052 4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.850 1.137 2.535 1.00 0.00 H new ATOM 0 HG LEU A 55 2.527 2.408 1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.668 4.335 2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.930 4.638 2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.556 4.252 3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.491 2.067 2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.406 1.878 4.282 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.365 0.691 2.956 1.00 0.00 H new ATOM 910 N ALA A 56 -2.223 2.229 3.375 1.00 0.00 N ATOM 911 CA ALA A 56 -3.474 1.479 3.351 1.00 0.00 C ATOM 912 C ALA A 56 -4.616 2.310 2.778 1.00 0.00 C ATOM 913 O ALA A 56 -5.232 1.927 1.784 1.00 0.00 O ATOM 914 CB ALA A 56 -3.823 1.001 4.753 1.00 0.00 C ATOM 0 H ALA A 56 -2.054 2.739 4.242 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.334 0.616 2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.758 0.442 4.725 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.027 0.357 5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.934 1.861 5.413 1.00 0.00 H new ATOM 920 N GLU A 57 -4.899 3.445 3.413 1.00 0.00 N ATOM 921 CA GLU A 57 -5.976 4.328 2.967 1.00 0.00 C ATOM 922 C GLU A 57 -5.948 4.512 1.450 1.00 0.00 C ATOM 923 O GLU A 57 -6.987 4.710 0.820 1.00 0.00 O ATOM 924 CB GLU A 57 -5.866 5.689 3.657 1.00 0.00 C ATOM 925 CG GLU A 57 -6.020 5.619 5.167 1.00 0.00 C ATOM 926 CD GLU A 57 -6.983 6.661 5.705 1.00 0.00 C ATOM 927 OE1 GLU A 57 -8.183 6.589 5.370 1.00 0.00 O ATOM 928 OE2 GLU A 57 -6.535 7.548 6.462 1.00 0.00 O ATOM 0 H GLU A 57 -4.398 3.776 4.238 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.924 3.862 3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.898 6.131 3.419 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.629 6.355 3.253 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.372 4.626 5.447 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.045 5.755 5.635 1.00 0.00 H new ATOM 935 N SER A 58 -4.753 4.437 0.871 1.00 0.00 N ATOM 936 CA SER A 58 -4.592 4.589 -0.570 1.00 0.00 C ATOM 937 C SER A 58 -4.688 3.236 -1.268 1.00 0.00 C ATOM 938 O SER A 58 -5.308 3.113 -2.324 1.00 0.00 O ATOM 939 CB SER A 58 -3.248 5.248 -0.888 1.00 0.00 C ATOM 940 OG SER A 58 -3.274 5.875 -2.158 1.00 0.00 O ATOM 0 H SER A 58 -3.883 4.272 1.378 1.00 0.00 H new ATOM 0 HA SER A 58 -5.395 5.228 -0.938 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.010 5.984 -0.120 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.458 4.498 -0.866 1.00 0.00 H new ATOM 0 HG SER A 58 -2.404 6.290 -2.336 1.00 0.00 H new ATOM 946 N LEU A 59 -4.071 2.222 -0.668 1.00 0.00 N ATOM 947 CA LEU A 59 -4.089 0.875 -1.228 1.00 0.00 C ATOM 948 C LEU A 59 -3.474 0.851 -2.625 1.00 0.00 C ATOM 949 O LEU A 59 -3.803 -0.009 -3.442 1.00 0.00 O ATOM 950 CB LEU A 59 -5.525 0.347 -1.286 1.00 0.00 C ATOM 951 CG LEU A 59 -5.970 -0.497 -0.087 1.00 0.00 C ATOM 952 CD1 LEU A 59 -7.324 -1.127 -0.366 1.00 0.00 C ATOM 953 CD2 LEU A 59 -4.938 -1.569 0.238 1.00 0.00 C ATOM 0 H LEU A 59 -3.552 2.308 0.206 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.493 0.233 -0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.202 1.196 -1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.637 -0.252 -2.190 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.058 0.157 0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.631 -1.725 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.060 -0.343 -0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.254 -1.766 -1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.278 -2.154 1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.811 -2.225 -0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.985 -1.096 0.478 1.00 0.00 H new ATOM 965 N SER A 60 -2.581 1.798 -2.895 1.00 0.00 N ATOM 966 CA SER A 60 -1.926 1.878 -4.196 1.00 0.00 C ATOM 967 C SER A 60 -0.411 1.798 -4.048 1.00 0.00 C ATOM 968 O SER A 60 0.200 2.623 -3.369 1.00 0.00 O ATOM 969 CB SER A 60 -2.312 3.177 -4.906 1.00 0.00 C ATOM 970 OG SER A 60 -3.697 3.443 -4.764 1.00 0.00 O ATOM 0 H SER A 60 -2.295 2.519 -2.232 1.00 0.00 H new ATOM 0 HA SER A 60 -2.260 1.031 -4.795 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.735 4.005 -4.495 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.058 3.106 -5.964 1.00 0.00 H new ATOM 0 HG SER A 60 -3.918 4.279 -5.225 1.00 0.00 H new ATOM 976 N SER A 61 0.191 0.801 -4.688 1.00 0.00 N ATOM 977 CA SER A 61 1.637 0.619 -4.624 1.00 0.00 C ATOM 978 C SER A 61 2.339 1.492 -5.660 1.00 0.00 C ATOM 979 O SER A 61 2.657 1.036 -6.759 1.00 0.00 O ATOM 980 CB SER A 61 1.998 -0.854 -4.845 1.00 0.00 C ATOM 981 OG SER A 61 0.880 -1.592 -5.308 1.00 0.00 O ATOM 0 H SER A 61 -0.298 0.109 -5.255 1.00 0.00 H new ATOM 0 HA SER A 61 1.975 0.921 -3.633 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.810 -0.927 -5.568 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.361 -1.286 -3.913 1.00 0.00 H new ATOM 0 HG SER A 61 0.311 -1.835 -4.548 1.00 0.00 H new ATOM 987 N ASP A 62 2.579 2.749 -5.299 1.00 0.00 N ATOM 988 CA ASP A 62 3.247 3.690 -6.190 1.00 0.00 C ATOM 989 C ASP A 62 4.468 4.304 -5.512 1.00 0.00 C ATOM 990 O ASP A 62 4.479 4.494 -4.297 1.00 0.00 O ATOM 991 CB ASP A 62 2.279 4.792 -6.623 1.00 0.00 C ATOM 992 CG ASP A 62 1.559 4.456 -7.913 1.00 0.00 C ATOM 993 OD1 ASP A 62 2.126 4.717 -8.995 1.00 0.00 O ATOM 994 OD2 ASP A 62 0.427 3.934 -7.843 1.00 0.00 O ATOM 0 H ASP A 62 2.320 3.140 -4.393 1.00 0.00 H new ATOM 0 HA ASP A 62 3.579 3.144 -7.073 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.546 4.958 -5.834 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.828 5.725 -6.749 1.00 0.00 H new ATOM 999 N PRO A 63 5.518 4.627 -6.284 1.00 0.00 N ATOM 1000 CA PRO A 63 6.736 5.221 -5.743 1.00 0.00 C ATOM 1001 C PRO A 63 6.554 6.696 -5.402 1.00 0.00 C ATOM 1002 O PRO A 63 6.994 7.158 -4.350 1.00 0.00 O ATOM 1003 CB PRO A 63 7.768 5.051 -6.869 1.00 0.00 C ATOM 1004 CG PRO A 63 7.085 4.271 -7.949 1.00 0.00 C ATOM 1005 CD PRO A 63 5.609 4.445 -7.736 1.00 0.00 C ATOM 0 HA PRO A 63 7.036 4.744 -4.810 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.102 6.020 -7.240 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.653 4.526 -6.510 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.380 4.633 -8.934 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.362 3.218 -7.901 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.219 5.307 -8.278 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.045 3.575 -8.072 1.00 0.00 H new ATOM 1013 N GLU A 64 5.899 7.428 -6.297 1.00 0.00 N ATOM 1014 CA GLU A 64 5.656 8.852 -6.090 1.00 0.00 C ATOM 1015 C GLU A 64 4.549 9.064 -5.063 1.00 0.00 C ATOM 1016 O GLU A 64 4.591 10.007 -4.272 1.00 0.00 O ATOM 1017 CB GLU A 64 5.276 9.531 -7.409 1.00 0.00 C ATOM 1018 CG GLU A 64 5.999 8.967 -8.622 1.00 0.00 C ATOM 1019 CD GLU A 64 6.667 10.042 -9.457 1.00 0.00 C ATOM 1020 OE1 GLU A 64 7.636 10.659 -8.967 1.00 0.00 O ATOM 1021 OE2 GLU A 64 6.219 10.269 -10.601 1.00 0.00 O ATOM 0 H GLU A 64 5.527 7.059 -7.172 1.00 0.00 H new ATOM 0 HA GLU A 64 6.576 9.300 -5.715 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.201 9.433 -7.561 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.491 10.597 -7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.751 8.250 -8.291 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.288 8.420 -9.242 1.00 0.00 H new ATOM 1028 N VAL A 65 3.560 8.176 -5.081 1.00 0.00 N ATOM 1029 CA VAL A 65 2.440 8.259 -4.153 1.00 0.00 C ATOM 1030 C VAL A 65 2.889 7.959 -2.728 1.00 0.00 C ATOM 1031 O VAL A 65 2.496 8.644 -1.784 1.00 0.00 O ATOM 1032 CB VAL A 65 1.315 7.280 -4.537 1.00 0.00 C ATOM 1033 CG1 VAL A 65 0.089 7.507 -3.669 1.00 0.00 C ATOM 1034 CG2 VAL A 65 0.963 7.417 -6.011 1.00 0.00 C ATOM 0 H VAL A 65 3.512 7.390 -5.729 1.00 0.00 H new ATOM 0 HA VAL A 65 2.058 9.279 -4.209 1.00 0.00 H new ATOM 0 HB VAL A 65 1.672 6.265 -4.365 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.695 6.806 -3.956 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.350 7.351 -2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.269 8.527 -3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.166 6.717 -6.261 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.628 8.435 -6.212 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.842 7.198 -6.617 1.00 0.00 H new ATOM 1044 N LEU A 66 3.716 6.930 -2.583 1.00 0.00 N ATOM 1045 CA LEU A 66 4.220 6.534 -1.274 1.00 0.00 C ATOM 1046 C LEU A 66 5.274 7.518 -0.765 1.00 0.00 C ATOM 1047 O LEU A 66 5.575 7.553 0.427 1.00 0.00 O ATOM 1048 CB LEU A 66 4.806 5.123 -1.339 1.00 0.00 C ATOM 1049 CG LEU A 66 3.778 4.004 -1.537 1.00 0.00 C ATOM 1050 CD1 LEU A 66 4.446 2.642 -1.431 1.00 0.00 C ATOM 1051 CD2 LEU A 66 2.654 4.128 -0.522 1.00 0.00 C ATOM 0 H LEU A 66 4.051 6.355 -3.356 1.00 0.00 H new ATOM 0 HA LEU A 66 3.384 6.543 -0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.527 5.082 -2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.356 4.932 -0.418 1.00 0.00 H new ATOM 0 HG LEU A 66 3.351 4.101 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.701 1.859 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.217 2.554 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.900 2.535 -0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.933 3.325 -0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.064 4.057 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.157 5.090 -0.645 1.00 0.00 H new ATOM 1063 N LEU A 67 5.829 8.317 -1.674 1.00 0.00 N ATOM 1064 CA LEU A 67 6.844 9.299 -1.309 1.00 0.00 C ATOM 1065 C LEU A 67 6.217 10.483 -0.579 1.00 0.00 C ATOM 1066 O LEU A 67 6.811 11.044 0.342 1.00 0.00 O ATOM 1067 CB LEU A 67 7.580 9.789 -2.557 1.00 0.00 C ATOM 1068 CG LEU A 67 8.998 10.306 -2.316 1.00 0.00 C ATOM 1069 CD1 LEU A 67 8.998 11.392 -1.253 1.00 0.00 C ATOM 1070 CD2 LEU A 67 9.919 9.163 -1.915 1.00 0.00 C ATOM 0 H LEU A 67 5.593 8.303 -2.666 1.00 0.00 H new ATOM 0 HA LEU A 67 7.557 8.817 -0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.626 8.971 -3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.994 10.585 -3.016 1.00 0.00 H new ATOM 0 HG LEU A 67 9.370 10.738 -3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.016 11.747 -1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.371 12.221 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.607 10.987 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.925 9.548 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.549 8.702 -0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.944 8.419 -2.711 1.00 0.00 H new ATOM 1082 N GLN A 68 5.013 10.859 -0.999 1.00 0.00 N ATOM 1083 CA GLN A 68 4.302 11.978 -0.389 1.00 0.00 C ATOM 1084 C GLN A 68 3.718 11.602 0.974 1.00 0.00 C ATOM 1085 O GLN A 68 3.143 12.446 1.662 1.00 0.00 O ATOM 1086 CB GLN A 68 3.184 12.461 -1.314 1.00 0.00 C ATOM 1087 CG GLN A 68 3.649 12.747 -2.733 1.00 0.00 C ATOM 1088 CD GLN A 68 3.577 14.219 -3.086 1.00 0.00 C ATOM 1089 OE1 GLN A 68 3.084 14.591 -4.152 1.00 0.00 O ATOM 1090 NE2 GLN A 68 4.071 15.067 -2.190 1.00 0.00 N ATOM 0 H GLN A 68 4.509 10.405 -1.760 1.00 0.00 H new ATOM 0 HA GLN A 68 5.023 12.781 -0.237 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.397 11.707 -1.343 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.743 13.366 -0.896 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.675 12.399 -2.852 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.036 12.179 -3.433 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.470 14.714 -1.320 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.051 16.070 -2.372 1.00 0.00 H new ATOM 1099 N ILE A 69 3.865 10.337 1.364 1.00 0.00 N ATOM 1100 CA ILE A 69 3.347 9.869 2.644 1.00 0.00 C ATOM 1101 C ILE A 69 4.042 10.573 3.805 1.00 0.00 C ATOM 1102 O ILE A 69 5.228 10.893 3.730 1.00 0.00 O ATOM 1103 CB ILE A 69 3.524 8.345 2.798 1.00 0.00 C ATOM 1104 CG1 ILE A 69 2.930 7.614 1.590 1.00 0.00 C ATOM 1105 CG2 ILE A 69 2.881 7.859 4.090 1.00 0.00 C ATOM 1106 CD1 ILE A 69 1.424 7.721 1.495 1.00 0.00 C ATOM 0 H ILE A 69 4.338 9.621 0.812 1.00 0.00 H new ATOM 0 HA ILE A 69 2.283 10.106 2.663 1.00 0.00 H new ATOM 0 HB ILE A 69 4.590 8.124 2.844 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.372 8.017 0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.208 6.561 1.641 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.016 6.781 4.181 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.350 8.356 4.939 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.816 8.091 4.076 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.076 7.179 0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.972 7.291 2.389 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.138 8.770 1.412 1.00 0.00 H new ATOM 1118 N ASP A 70 3.295 10.811 4.878 1.00 0.00 N ATOM 1119 CA ASP A 70 3.837 11.478 6.056 1.00 0.00 C ATOM 1120 C ASP A 70 4.912 10.624 6.723 1.00 0.00 C ATOM 1121 O ASP A 70 4.629 9.541 7.236 1.00 0.00 O ATOM 1122 CB ASP A 70 2.720 11.780 7.056 1.00 0.00 C ATOM 1123 CG ASP A 70 3.120 12.833 8.071 1.00 0.00 C ATOM 1124 OD1 ASP A 70 4.331 12.959 8.348 1.00 0.00 O ATOM 1125 OD2 ASP A 70 2.222 13.531 8.588 1.00 0.00 O ATOM 0 H ASP A 70 2.312 10.552 4.956 1.00 0.00 H new ATOM 0 HA ASP A 70 4.292 12.414 5.733 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.835 12.117 6.517 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.445 10.863 7.577 1.00 0.00 H new ATOM 1130 N GLY A 71 6.145 11.120 6.712 1.00 0.00 N ATOM 1131 CA GLY A 71 7.243 10.393 7.321 1.00 0.00 C ATOM 1132 C GLY A 71 8.120 9.697 6.299 1.00 0.00 C ATOM 1133 O GLY A 71 9.333 9.595 6.479 1.00 0.00 O ATOM 0 H GLY A 71 6.403 12.013 6.292 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.851 11.083 7.906 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.844 9.654 8.015 1.00 0.00 H new ATOM 1137 N VAL A 72 7.505 9.214 5.223 1.00 0.00 N ATOM 1138 CA VAL A 72 8.240 8.522 4.171 1.00 0.00 C ATOM 1139 C VAL A 72 9.070 9.498 3.344 1.00 0.00 C ATOM 1140 O VAL A 72 8.629 10.607 3.044 1.00 0.00 O ATOM 1141 CB VAL A 72 7.289 7.752 3.234 1.00 0.00 C ATOM 1142 CG1 VAL A 72 8.078 6.924 2.231 1.00 0.00 C ATOM 1143 CG2 VAL A 72 6.348 6.870 4.040 1.00 0.00 C ATOM 0 H VAL A 72 6.501 9.289 5.058 1.00 0.00 H new ATOM 0 HA VAL A 72 8.905 7.813 4.665 1.00 0.00 H new ATOM 0 HB VAL A 72 6.690 8.475 2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.388 6.388 1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.707 7.582 1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.705 6.208 2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.683 6.333 3.363 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.929 6.154 4.621 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.756 7.490 4.714 1.00 0.00 H new ATOM 1153 N THR A 73 10.275 9.074 2.977 1.00 0.00 N ATOM 1154 CA THR A 73 11.171 9.905 2.183 1.00 0.00 C ATOM 1155 C THR A 73 11.742 9.116 1.009 1.00 0.00 C ATOM 1156 O THR A 73 11.410 7.947 0.816 1.00 0.00 O ATOM 1157 CB THR A 73 12.309 10.443 3.053 1.00 0.00 C ATOM 1158 OG1 THR A 73 12.882 9.406 3.827 1.00 0.00 O ATOM 1159 CG2 THR A 73 11.869 11.537 4.003 1.00 0.00 C ATOM 0 H THR A 73 10.653 8.158 3.218 1.00 0.00 H new ATOM 0 HA THR A 73 10.597 10.744 1.791 1.00 0.00 H new ATOM 0 HB THR A 73 13.035 10.860 2.355 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.769 9.683 4.140 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.723 11.874 4.590 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.467 12.375 3.433 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.099 11.151 4.671 1.00 0.00 H new ATOM 1167 N GLU A 74 12.600 9.764 0.228 1.00 0.00 N ATOM 1168 CA GLU A 74 13.215 9.122 -0.928 1.00 0.00 C ATOM 1169 C GLU A 74 14.080 7.939 -0.502 1.00 0.00 C ATOM 1170 O GLU A 74 14.237 6.974 -1.248 1.00 0.00 O ATOM 1171 CB GLU A 74 14.060 10.131 -1.707 1.00 0.00 C ATOM 1172 CG GLU A 74 14.413 9.672 -3.112 1.00 0.00 C ATOM 1173 CD GLU A 74 15.637 10.376 -3.664 1.00 0.00 C ATOM 1174 OE1 GLU A 74 16.664 10.425 -2.955 1.00 0.00 O ATOM 1175 OE2 GLU A 74 15.569 10.877 -4.806 1.00 0.00 O ATOM 0 H GLU A 74 12.885 10.732 0.374 1.00 0.00 H new ATOM 0 HA GLU A 74 12.417 8.751 -1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.519 11.075 -1.767 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.980 10.325 -1.155 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.589 8.596 -3.106 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.565 9.852 -3.773 1.00 0.00 H new ATOM 1182 N ASP A 75 14.639 8.022 0.701 1.00 0.00 N ATOM 1183 CA ASP A 75 15.489 6.958 1.223 1.00 0.00 C ATOM 1184 C ASP A 75 14.655 5.778 1.714 1.00 0.00 C ATOM 1185 O ASP A 75 15.109 4.634 1.695 1.00 0.00 O ATOM 1186 CB ASP A 75 16.365 7.486 2.361 1.00 0.00 C ATOM 1187 CG ASP A 75 15.560 8.217 3.418 1.00 0.00 C ATOM 1188 OD1 ASP A 75 15.298 9.424 3.235 1.00 0.00 O ATOM 1189 OD2 ASP A 75 15.190 7.582 4.428 1.00 0.00 O ATOM 0 H ASP A 75 14.519 8.814 1.332 1.00 0.00 H new ATOM 0 HA ASP A 75 16.128 6.612 0.411 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.896 6.654 2.823 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.120 8.158 1.953 1.00 0.00 H new ATOM 1194 N LYS A 76 13.434 6.063 2.154 1.00 0.00 N ATOM 1195 CA LYS A 76 12.539 5.024 2.651 1.00 0.00 C ATOM 1196 C LYS A 76 11.843 4.304 1.500 1.00 0.00 C ATOM 1197 O LYS A 76 11.573 3.106 1.578 1.00 0.00 O ATOM 1198 CB LYS A 76 11.499 5.627 3.596 1.00 0.00 C ATOM 1199 CG LYS A 76 12.099 6.525 4.667 1.00 0.00 C ATOM 1200 CD LYS A 76 12.296 5.775 5.974 1.00 0.00 C ATOM 1201 CE LYS A 76 12.313 6.723 7.162 1.00 0.00 C ATOM 1202 NZ LYS A 76 13.224 6.248 8.239 1.00 0.00 N ATOM 0 H LYS A 76 13.042 7.004 2.177 1.00 0.00 H new ATOM 0 HA LYS A 76 13.138 4.296 3.198 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.780 6.202 3.012 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.947 4.820 4.078 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.056 6.915 4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.446 7.382 4.833 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.496 5.046 6.100 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.232 5.218 5.938 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.627 7.713 6.832 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.303 6.825 7.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.474 7.045 8.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.747 5.511 8.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.088 5.855 7.814 1.00 0.00 H new ATOM 1216 N LEU A 77 11.553 5.043 0.434 1.00 0.00 N ATOM 1217 CA LEU A 77 10.887 4.473 -0.732 1.00 0.00 C ATOM 1218 C LEU A 77 11.883 3.743 -1.634 1.00 0.00 C ATOM 1219 O LEU A 77 11.499 2.899 -2.441 1.00 0.00 O ATOM 1220 CB LEU A 77 10.173 5.572 -1.524 1.00 0.00 C ATOM 1221 CG LEU A 77 8.855 5.152 -2.180 1.00 0.00 C ATOM 1222 CD1 LEU A 77 9.052 3.900 -3.019 1.00 0.00 C ATOM 1223 CD2 LEU A 77 7.780 4.925 -1.127 1.00 0.00 C ATOM 0 H LEU A 77 11.768 6.037 0.353 1.00 0.00 H new ATOM 0 HA LEU A 77 10.152 3.750 -0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.977 6.410 -0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.847 5.935 -2.300 1.00 0.00 H new ATOM 0 HG LEU A 77 8.527 5.958 -2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.105 3.616 -3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.788 4.097 -3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.405 3.088 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.851 4.627 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.100 4.138 -0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.618 5.847 -0.568 1.00 0.00 H new ATOM 1235 N GLU A 78 13.163 4.072 -1.495 1.00 0.00 N ATOM 1236 CA GLU A 78 14.201 3.441 -2.302 1.00 0.00 C ATOM 1237 C GLU A 78 14.765 2.207 -1.604 1.00 0.00 C ATOM 1238 O GLU A 78 15.217 1.266 -2.256 1.00 0.00 O ATOM 1239 CB GLU A 78 15.326 4.436 -2.593 1.00 0.00 C ATOM 1240 CG GLU A 78 16.116 4.106 -3.849 1.00 0.00 C ATOM 1241 CD GLU A 78 17.611 4.287 -3.664 1.00 0.00 C ATOM 1242 OE1 GLU A 78 18.180 3.640 -2.759 1.00 0.00 O ATOM 1243 OE2 GLU A 78 18.212 5.077 -4.423 1.00 0.00 O ATOM 0 H GLU A 78 13.506 4.769 -0.834 1.00 0.00 H new ATOM 0 HA GLU A 78 13.750 3.126 -3.243 1.00 0.00 H new ATOM 0 HB2 GLU A 78 14.901 5.435 -2.693 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.006 4.463 -1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.912 3.076 -4.141 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.775 4.743 -4.666 1.00 0.00 H new ATOM 1250 N LYS A 79 14.742 2.219 -0.274 1.00 0.00 N ATOM 1251 CA LYS A 79 15.259 1.101 0.508 1.00 0.00 C ATOM 1252 C LYS A 79 14.139 0.150 0.924 1.00 0.00 C ATOM 1253 O LYS A 79 14.174 -1.041 0.609 1.00 0.00 O ATOM 1254 CB LYS A 79 15.989 1.617 1.749 1.00 0.00 C ATOM 1255 CG LYS A 79 16.765 0.541 2.491 1.00 0.00 C ATOM 1256 CD LYS A 79 18.253 0.616 2.187 1.00 0.00 C ATOM 1257 CE LYS A 79 19.005 1.368 3.273 1.00 0.00 C ATOM 1258 NZ LYS A 79 20.479 1.299 3.076 1.00 0.00 N ATOM 0 H LYS A 79 14.372 2.989 0.283 1.00 0.00 H new ATOM 0 HA LYS A 79 15.959 0.550 -0.120 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.676 2.409 1.453 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.262 2.063 2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.606 0.651 3.564 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.385 -0.441 2.211 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.658 -0.392 2.094 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.405 1.111 1.228 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.688 2.411 3.279 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.749 0.951 4.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 20.958 1.765 3.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.777 0.304 3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 20.734 1.780 2.190 1.00 0.00 H new ATOM 1272 N TYR A 80 13.152 0.678 1.640 1.00 0.00 N ATOM 1273 CA TYR A 80 12.028 -0.128 2.107 1.00 0.00 C ATOM 1274 C TYR A 80 10.982 -0.313 1.012 1.00 0.00 C ATOM 1275 O TYR A 80 10.262 -1.310 0.994 1.00 0.00 O ATOM 1276 CB TYR A 80 11.384 0.523 3.332 1.00 0.00 C ATOM 1277 CG TYR A 80 12.317 0.645 4.516 1.00 0.00 C ATOM 1278 CD1 TYR A 80 13.158 -0.401 4.873 1.00 0.00 C ATOM 1279 CD2 TYR A 80 12.356 1.807 5.275 1.00 0.00 C ATOM 1280 CE1 TYR A 80 14.012 -0.293 5.954 1.00 0.00 C ATOM 1281 CE2 TYR A 80 13.207 1.924 6.357 1.00 0.00 C ATOM 1282 CZ TYR A 80 14.033 0.871 6.693 1.00 0.00 C ATOM 1283 OH TYR A 80 14.881 0.983 7.769 1.00 0.00 O ATOM 0 H TYR A 80 13.107 1.661 1.910 1.00 0.00 H new ATOM 0 HA TYR A 80 12.414 -1.110 2.379 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.026 1.516 3.059 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.512 -0.061 3.626 1.00 0.00 H new ATOM 0 HD1 TYR A 80 13.144 -1.314 4.296 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.710 2.633 5.015 1.00 0.00 H new ATOM 0 HE1 TYR A 80 14.660 -1.116 6.219 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.226 2.835 6.937 1.00 0.00 H new ATOM 0 HH TYR A 80 14.773 1.866 8.180 1.00 0.00 H new ATOM 1293 N GLY A 81 10.902 0.654 0.100 1.00 0.00 N ATOM 1294 CA GLY A 81 9.935 0.578 -0.983 1.00 0.00 C ATOM 1295 C GLY A 81 9.918 -0.777 -1.665 1.00 0.00 C ATOM 1296 O GLY A 81 8.853 -1.326 -1.945 1.00 0.00 O ATOM 0 H GLY A 81 11.489 1.488 0.092 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.941 0.795 -0.592 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.162 1.348 -1.721 1.00 0.00 H new ATOM 1300 N ALA A 82 11.101 -1.319 -1.932 1.00 0.00 N ATOM 1301 CA ALA A 82 11.216 -2.617 -2.584 1.00 0.00 C ATOM 1302 C ALA A 82 10.495 -3.701 -1.788 1.00 0.00 C ATOM 1303 O ALA A 82 10.040 -4.697 -2.351 1.00 0.00 O ATOM 1304 CB ALA A 82 12.680 -2.983 -2.771 1.00 0.00 C ATOM 0 H ALA A 82 11.993 -0.879 -1.707 1.00 0.00 H new ATOM 0 HA ALA A 82 10.740 -2.547 -3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.753 -3.955 -3.259 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.167 -2.229 -3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.171 -3.028 -1.799 1.00 0.00 H new ATOM 1310 N GLU A 83 10.400 -3.506 -0.475 1.00 0.00 N ATOM 1311 CA GLU A 83 9.737 -4.473 0.393 1.00 0.00 C ATOM 1312 C GLU A 83 8.286 -4.077 0.657 1.00 0.00 C ATOM 1313 O GLU A 83 7.362 -4.819 0.321 1.00 0.00 O ATOM 1314 CB GLU A 83 10.496 -4.606 1.716 1.00 0.00 C ATOM 1315 CG GLU A 83 11.214 -5.937 1.870 1.00 0.00 C ATOM 1316 CD GLU A 83 10.556 -6.841 2.893 1.00 0.00 C ATOM 1317 OE1 GLU A 83 9.561 -7.510 2.543 1.00 0.00 O ATOM 1318 OE2 GLU A 83 11.035 -6.881 4.046 1.00 0.00 O ATOM 0 H GLU A 83 10.773 -2.689 0.009 1.00 0.00 H new ATOM 0 HA GLU A 83 9.737 -5.436 -0.117 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.224 -3.798 1.791 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.796 -4.482 2.542 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.240 -6.445 0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.248 -5.756 2.163 1.00 0.00 H new ATOM 1325 N VAL A 84 8.089 -2.909 1.265 1.00 0.00 N ATOM 1326 CA VAL A 84 6.744 -2.429 1.577 1.00 0.00 C ATOM 1327 C VAL A 84 5.831 -2.489 0.356 1.00 0.00 C ATOM 1328 O VAL A 84 4.687 -2.935 0.448 1.00 0.00 O ATOM 1329 CB VAL A 84 6.754 -0.984 2.123 1.00 0.00 C ATOM 1330 CG1 VAL A 84 7.017 -0.981 3.621 1.00 0.00 C ATOM 1331 CG2 VAL A 84 7.778 -0.129 1.390 1.00 0.00 C ATOM 0 H VAL A 84 8.839 -2.280 1.550 1.00 0.00 H new ATOM 0 HA VAL A 84 6.360 -3.094 2.350 1.00 0.00 H new ATOM 0 HB VAL A 84 5.770 -0.548 1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.020 0.045 3.988 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.235 -1.545 4.129 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.985 -1.441 3.821 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.764 0.883 1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.771 -0.558 1.521 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.533 -0.099 0.328 1.00 0.00 H new ATOM 1341 N ILE A 85 6.339 -2.043 -0.790 1.00 0.00 N ATOM 1342 CA ILE A 85 5.558 -2.056 -2.020 1.00 0.00 C ATOM 1343 C ILE A 85 5.303 -3.484 -2.487 1.00 0.00 C ATOM 1344 O ILE A 85 4.286 -3.766 -3.114 1.00 0.00 O ATOM 1345 CB ILE A 85 6.253 -1.269 -3.150 1.00 0.00 C ATOM 1346 CG1 ILE A 85 6.519 0.171 -2.708 1.00 0.00 C ATOM 1347 CG2 ILE A 85 5.407 -1.295 -4.419 1.00 0.00 C ATOM 1348 CD1 ILE A 85 7.121 1.038 -3.793 1.00 0.00 C ATOM 0 H ILE A 85 7.283 -1.670 -0.891 1.00 0.00 H new ATOM 0 HA ILE A 85 4.608 -1.571 -1.794 1.00 0.00 H new ATOM 0 HB ILE A 85 7.209 -1.745 -3.368 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.583 0.619 -2.375 1.00 0.00 H new ATOM 0 HG13 ILE A 85 7.190 0.160 -1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.913 -0.735 -5.205 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.266 -2.327 -4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.436 -0.842 -4.218 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.282 2.045 -3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.074 0.615 -4.110 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.441 1.080 -4.644 1.00 0.00 H new ATOM 1360 N SER A 86 6.229 -4.386 -2.175 1.00 0.00 N ATOM 1361 CA SER A 86 6.085 -5.785 -2.563 1.00 0.00 C ATOM 1362 C SER A 86 4.774 -6.351 -2.027 1.00 0.00 C ATOM 1363 O SER A 86 4.169 -7.235 -2.634 1.00 0.00 O ATOM 1364 CB SER A 86 7.263 -6.607 -2.039 1.00 0.00 C ATOM 1365 OG SER A 86 7.265 -7.909 -2.597 1.00 0.00 O ATOM 0 H SER A 86 7.082 -4.175 -1.658 1.00 0.00 H new ATOM 0 HA SER A 86 6.074 -5.842 -3.651 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.199 -6.103 -2.281 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.209 -6.674 -0.952 1.00 0.00 H new ATOM 0 HG SER A 86 8.029 -8.414 -2.247 1.00 0.00 H new ATOM 1371 N VAL A 87 4.341 -5.826 -0.885 1.00 0.00 N ATOM 1372 CA VAL A 87 3.102 -6.262 -0.254 1.00 0.00 C ATOM 1373 C VAL A 87 1.912 -5.428 -0.726 1.00 0.00 C ATOM 1374 O VAL A 87 0.760 -5.840 -0.587 1.00 0.00 O ATOM 1375 CB VAL A 87 3.198 -6.169 1.281 1.00 0.00 C ATOM 1376 CG1 VAL A 87 1.980 -6.804 1.937 1.00 0.00 C ATOM 1377 CG2 VAL A 87 4.481 -6.821 1.776 1.00 0.00 C ATOM 0 H VAL A 87 4.835 -5.093 -0.375 1.00 0.00 H new ATOM 0 HA VAL A 87 2.949 -7.301 -0.546 1.00 0.00 H new ATOM 0 HB VAL A 87 3.221 -5.116 1.560 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.069 -6.727 3.021 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.079 -6.286 1.609 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.919 -7.854 1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.532 -6.746 2.862 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.492 -7.871 1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.340 -6.314 1.337 1.00 0.00 H new ATOM 1387 N LEU A 88 2.194 -4.246 -1.270 1.00 0.00 N ATOM 1388 CA LEU A 88 1.143 -3.349 -1.744 1.00 0.00 C ATOM 1389 C LEU A 88 0.740 -3.647 -3.186 1.00 0.00 C ATOM 1390 O LEU A 88 -0.351 -3.276 -3.619 1.00 0.00 O ATOM 1391 CB LEU A 88 1.596 -1.895 -1.620 1.00 0.00 C ATOM 1392 CG LEU A 88 1.418 -1.281 -0.228 1.00 0.00 C ATOM 1393 CD1 LEU A 88 2.721 -0.663 0.257 1.00 0.00 C ATOM 1394 CD2 LEU A 88 0.303 -0.244 -0.238 1.00 0.00 C ATOM 0 H LEU A 88 3.141 -3.888 -1.393 1.00 0.00 H new ATOM 0 HA LEU A 88 0.267 -3.515 -1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.648 -1.833 -1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.041 -1.294 -2.340 1.00 0.00 H new ATOM 0 HG LEU A 88 1.139 -2.076 0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.573 -0.232 1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.492 -1.432 0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.033 0.119 -0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.192 0.181 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.550 0.549 -0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.632 -0.718 -0.537 1.00 0.00 H new ATOM 1406 N GLN A 89 1.619 -4.311 -3.928 1.00 0.00 N ATOM 1407 CA GLN A 89 1.341 -4.645 -5.321 1.00 0.00 C ATOM 1408 C GLN A 89 -0.002 -5.362 -5.450 1.00 0.00 C ATOM 1409 O GLN A 89 -0.740 -5.158 -6.415 1.00 0.00 O ATOM 1410 CB GLN A 89 2.458 -5.522 -5.889 1.00 0.00 C ATOM 1411 CG GLN A 89 2.649 -5.368 -7.388 1.00 0.00 C ATOM 1412 CD GLN A 89 4.110 -5.332 -7.790 1.00 0.00 C ATOM 1413 OE1 GLN A 89 4.960 -4.846 -7.043 1.00 0.00 O ATOM 1414 NE2 GLN A 89 4.412 -5.848 -8.976 1.00 0.00 N ATOM 0 H GLN A 89 2.528 -4.628 -3.590 1.00 0.00 H new ATOM 0 HA GLN A 89 1.293 -3.717 -5.890 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.393 -5.277 -5.385 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.239 -6.566 -5.664 1.00 0.00 H new ATOM 0 HG2 GLN A 89 2.156 -6.194 -7.900 1.00 0.00 H new ATOM 0 HG3 GLN A 89 2.162 -4.451 -7.720 1.00 0.00 H new ATOM 0 HE21 GLN A 89 3.676 -6.241 -9.564 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.379 -5.852 -9.299 1.00 0.00 H new ATOM 1423 N LYS A 90 -0.311 -6.199 -4.464 1.00 0.00 N ATOM 1424 CA LYS A 90 -1.563 -6.946 -4.459 1.00 0.00 C ATOM 1425 C LYS A 90 -2.760 -6.001 -4.467 1.00 0.00 C ATOM 1426 O LYS A 90 -3.714 -6.200 -5.219 1.00 0.00 O ATOM 1427 CB LYS A 90 -1.629 -7.862 -3.235 1.00 0.00 C ATOM 1428 CG LYS A 90 -0.366 -8.680 -3.018 1.00 0.00 C ATOM 1429 CD LYS A 90 -0.626 -9.878 -2.119 1.00 0.00 C ATOM 1430 CE LYS A 90 -1.044 -9.446 -0.722 1.00 0.00 C ATOM 1431 NZ LYS A 90 0.112 -8.949 0.075 1.00 0.00 N ATOM 0 H LYS A 90 0.289 -6.376 -3.658 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.598 -7.555 -5.362 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.817 -7.257 -2.348 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.476 -8.539 -3.344 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.017 -9.022 -3.980 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.405 -8.050 -2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.406 -10.501 -2.557 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.274 -10.490 -2.058 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.798 -8.663 -0.795 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.507 -10.287 -0.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.110 -9.017 1.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.952 -9.525 -0.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.303 -7.957 -0.171 1.00 0.00 H new ATOM 1445 N TYR A 91 -2.703 -4.970 -3.629 1.00 0.00 N ATOM 1446 CA TYR A 91 -3.786 -3.996 -3.546 1.00 0.00 C ATOM 1447 C TYR A 91 -3.994 -3.311 -4.892 1.00 0.00 C ATOM 1448 O TYR A 91 -5.127 -3.064 -5.305 1.00 0.00 O ATOM 1449 CB TYR A 91 -3.497 -2.945 -2.470 1.00 0.00 C ATOM 1450 CG TYR A 91 -2.816 -3.492 -1.233 1.00 0.00 C ATOM 1451 CD1 TYR A 91 -3.038 -4.796 -0.808 1.00 0.00 C ATOM 1452 CD2 TYR A 91 -1.947 -2.701 -0.493 1.00 0.00 C ATOM 1453 CE1 TYR A 91 -2.412 -5.295 0.319 1.00 0.00 C ATOM 1454 CE2 TYR A 91 -1.318 -3.193 0.635 1.00 0.00 C ATOM 1455 CZ TYR A 91 -1.554 -4.491 1.036 1.00 0.00 C ATOM 1456 OH TYR A 91 -0.929 -4.984 2.158 1.00 0.00 O ATOM 0 H TYR A 91 -1.921 -4.788 -3.000 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.696 -4.532 -3.274 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.870 -2.164 -2.900 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.436 -2.475 -2.176 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.710 -5.430 -1.367 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.759 -1.684 -0.804 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -2.595 -6.311 0.636 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.645 -2.564 1.199 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.357 -4.289 2.546 1.00 0.00 H new ATOM 1466 N SER A 92 -2.892 -3.010 -5.572 1.00 0.00 N ATOM 1467 CA SER A 92 -2.953 -2.357 -6.875 1.00 0.00 C ATOM 1468 C SER A 92 -3.825 -3.155 -7.839 1.00 0.00 C ATOM 1469 O SER A 92 -4.449 -2.593 -8.739 1.00 0.00 O ATOM 1470 CB SER A 92 -1.545 -2.195 -7.454 1.00 0.00 C ATOM 1471 OG SER A 92 -1.009 -0.920 -7.142 1.00 0.00 O ATOM 0 H SER A 92 -1.947 -3.208 -5.243 1.00 0.00 H new ATOM 0 HA SER A 92 -3.397 -1.371 -6.742 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.894 -2.974 -7.058 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.576 -2.325 -8.536 1.00 0.00 H new ATOM 0 HG SER A 92 -0.200 -1.029 -6.599 1.00 0.00 H new ATOM 1477 N GLU A 93 -3.866 -4.469 -7.639 1.00 0.00 N ATOM 1478 CA GLU A 93 -4.667 -5.346 -8.485 1.00 0.00 C ATOM 1479 C GLU A 93 -6.105 -5.426 -7.979 1.00 0.00 C ATOM 1480 O GLU A 93 -7.034 -5.657 -8.755 1.00 0.00 O ATOM 1481 CB GLU A 93 -4.051 -6.746 -8.532 1.00 0.00 C ATOM 1482 CG GLU A 93 -3.008 -6.916 -9.623 1.00 0.00 C ATOM 1483 CD GLU A 93 -3.611 -7.364 -10.940 1.00 0.00 C ATOM 1484 OE1 GLU A 93 -4.771 -6.994 -11.220 1.00 0.00 O ATOM 1485 OE2 GLU A 93 -2.923 -8.087 -11.693 1.00 0.00 O ATOM 0 H GLU A 93 -3.354 -4.949 -6.899 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.678 -4.928 -9.492 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.594 -6.965 -7.567 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.845 -7.478 -8.683 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.484 -5.972 -9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.265 -7.646 -9.300 1.00 0.00 H new