USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=17 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 -72:sc= -0.437 USER MOD Set 1.2: A 92 SER OG : rot 180:sc= 0.381 USER MOD Set 2.1: A 24 CYS SG : rot 101:sc= -0.753! USER MOD Set 2.2: A 91 TYR OH : rot 37:sc= -1.36! USER MOD Set 3.1: A 29 THR OG1 : rot 61:sc= 1.1 USER MOD Set 3.2: A 43 TYR OH : rot 180:sc= -2.35! USER MOD Single : A 20 MET CE :methyl -173:sc= -0.445 (180deg=-0.585) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 82:sc= 0.317 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= -0.392 K(o=-0.39,f=-1.3) USER MOD Single : A 45 ASN : amide:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 48 ASN : amide:sc=-0.000221 X(o=-0.00022,f=-0.0022) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -22:sc= 1.14 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00266) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 73 THR OG1 : rot 134:sc= -0.939 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.171 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 260 N ARG A 17 -13.282 -1.743 -0.430 1.00 0.00 N ATOM 261 CA ARG A 17 -12.096 -0.920 -0.223 1.00 0.00 C ATOM 262 C ARG A 17 -11.806 -0.741 1.264 1.00 0.00 C ATOM 263 O ARG A 17 -10.652 -0.586 1.666 1.00 0.00 O ATOM 264 CB ARG A 17 -12.279 0.447 -0.887 1.00 0.00 C ATOM 265 CG ARG A 17 -11.075 1.363 -0.735 1.00 0.00 C ATOM 266 CD ARG A 17 -11.276 2.373 0.385 1.00 0.00 C ATOM 267 NE ARG A 17 -11.185 3.749 -0.095 1.00 0.00 N ATOM 268 CZ ARG A 17 -11.300 4.818 0.689 1.00 0.00 C ATOM 269 NH1 ARG A 17 -11.510 4.673 1.992 1.00 0.00 N ATOM 270 NH2 ARG A 17 -11.206 6.034 0.170 1.00 0.00 N ATOM 0 HA ARG A 17 -11.247 -1.430 -0.679 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.483 0.302 -1.948 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.154 0.936 -0.458 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.186 0.766 -0.531 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.897 1.890 -1.673 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.251 2.214 0.846 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.527 2.209 1.159 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.024 3.900 -1.091 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.584 3.739 2.396 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.597 5.495 2.589 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.046 6.150 -0.831 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.294 6.853 0.771 1.00 0.00 H new ATOM 284 N GLU A 18 -12.857 -0.761 2.076 1.00 0.00 N ATOM 285 CA GLU A 18 -12.711 -0.600 3.518 1.00 0.00 C ATOM 286 C GLU A 18 -11.824 -1.694 4.104 1.00 0.00 C ATOM 287 O GLU A 18 -10.737 -1.420 4.611 1.00 0.00 O ATOM 288 CB GLU A 18 -14.083 -0.621 4.196 1.00 0.00 C ATOM 289 CG GLU A 18 -14.660 0.764 4.444 1.00 0.00 C ATOM 290 CD GLU A 18 -15.055 1.469 3.161 1.00 0.00 C ATOM 291 OE1 GLU A 18 -14.196 2.165 2.579 1.00 0.00 O ATOM 292 OE2 GLU A 18 -16.222 1.327 2.738 1.00 0.00 O ATOM 0 H GLU A 18 -13.819 -0.887 1.761 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.236 0.363 3.703 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.777 -1.189 3.576 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.001 -1.147 5.147 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -15.533 0.679 5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.926 1.369 4.976 1.00 0.00 H new ATOM 299 N GLU A 19 -12.294 -2.935 4.030 1.00 0.00 N ATOM 300 CA GLU A 19 -11.542 -4.071 4.554 1.00 0.00 C ATOM 301 C GLU A 19 -10.180 -4.195 3.875 1.00 0.00 C ATOM 302 O GLU A 19 -9.267 -4.825 4.409 1.00 0.00 O ATOM 303 CB GLU A 19 -12.338 -5.363 4.364 1.00 0.00 C ATOM 304 CG GLU A 19 -12.913 -5.524 2.966 1.00 0.00 C ATOM 305 CD GLU A 19 -13.212 -6.970 2.621 1.00 0.00 C ATOM 306 OE1 GLU A 19 -12.313 -7.819 2.795 1.00 0.00 O ATOM 307 OE2 GLU A 19 -14.344 -7.253 2.177 1.00 0.00 O ATOM 0 H GLU A 19 -13.192 -3.180 3.613 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.377 -3.902 5.618 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.692 -6.213 4.582 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -13.153 -5.388 5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.828 -4.938 2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.209 -5.119 2.239 1.00 0.00 H new ATOM 314 N MET A 20 -10.049 -3.594 2.696 1.00 0.00 N ATOM 315 CA MET A 20 -8.799 -3.644 1.946 1.00 0.00 C ATOM 316 C MET A 20 -7.723 -2.784 2.606 1.00 0.00 C ATOM 317 O MET A 20 -6.564 -3.188 2.699 1.00 0.00 O ATOM 318 CB MET A 20 -9.029 -3.180 0.507 1.00 0.00 C ATOM 319 CG MET A 20 -9.658 -4.242 -0.383 1.00 0.00 C ATOM 320 SD MET A 20 -8.493 -4.934 -1.573 1.00 0.00 S ATOM 321 CE MET A 20 -7.351 -5.775 -0.480 1.00 0.00 C ATOM 0 H MET A 20 -10.793 -3.067 2.240 1.00 0.00 H new ATOM 0 HA MET A 20 -8.452 -4.677 1.940 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.671 -2.299 0.516 1.00 0.00 H new ATOM 0 HB3 MET A 20 -8.076 -2.875 0.076 1.00 0.00 H new ATOM 0 HG2 MET A 20 -10.054 -5.044 0.240 1.00 0.00 H new ATOM 0 HG3 MET A 20 -10.502 -3.808 -0.918 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.504 -6.148 -1.056 1.00 0.00 H new ATOM 0 HE2 MET A 20 -6.995 -5.079 0.280 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.858 -6.611 0.003 1.00 0.00 H new ATOM 331 N VAL A 21 -8.109 -1.593 3.056 1.00 0.00 N ATOM 332 CA VAL A 21 -7.168 -0.681 3.698 1.00 0.00 C ATOM 333 C VAL A 21 -6.696 -1.224 5.044 1.00 0.00 C ATOM 334 O VAL A 21 -5.565 -0.978 5.463 1.00 0.00 O ATOM 335 CB VAL A 21 -7.775 0.728 3.889 1.00 0.00 C ATOM 336 CG1 VAL A 21 -8.512 1.163 2.633 1.00 0.00 C ATOM 337 CG2 VAL A 21 -8.703 0.777 5.096 1.00 0.00 C ATOM 0 H VAL A 21 -9.063 -1.238 2.988 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.310 -0.599 3.031 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.955 1.422 4.073 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.933 2.157 2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.817 1.187 1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.315 0.457 2.419 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.112 1.782 5.200 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.518 0.066 4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.144 0.518 5.995 1.00 0.00 H new ATOM 347 N LYS A 22 -7.571 -1.964 5.717 1.00 0.00 N ATOM 348 CA LYS A 22 -7.238 -2.537 7.014 1.00 0.00 C ATOM 349 C LYS A 22 -6.178 -3.622 6.868 1.00 0.00 C ATOM 350 O LYS A 22 -5.199 -3.656 7.617 1.00 0.00 O ATOM 351 CB LYS A 22 -8.489 -3.116 7.681 1.00 0.00 C ATOM 352 CG LYS A 22 -9.690 -2.185 7.640 1.00 0.00 C ATOM 353 CD LYS A 22 -9.393 -0.855 8.317 1.00 0.00 C ATOM 354 CE LYS A 22 -10.079 -0.754 9.671 1.00 0.00 C ATOM 355 NZ LYS A 22 -11.499 -0.327 9.545 1.00 0.00 N ATOM 0 H LYS A 22 -8.512 -2.180 5.387 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.838 -1.741 7.643 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.750 -4.054 7.191 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.259 -3.353 8.720 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.979 -2.010 6.604 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.538 -2.662 8.131 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.316 -0.742 8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.726 -0.037 7.677 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.034 -1.720 10.173 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.541 -0.043 10.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.930 -0.271 10.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.542 0.607 9.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.019 -1.018 8.968 1.00 0.00 H new ATOM 369 N LYS A 23 -6.376 -4.506 5.896 1.00 0.00 N ATOM 370 CA LYS A 23 -5.435 -5.593 5.645 1.00 0.00 C ATOM 371 C LYS A 23 -4.039 -5.050 5.354 1.00 0.00 C ATOM 372 O LYS A 23 -3.038 -5.724 5.592 1.00 0.00 O ATOM 373 CB LYS A 23 -5.918 -6.450 4.472 1.00 0.00 C ATOM 374 CG LYS A 23 -6.548 -7.766 4.897 1.00 0.00 C ATOM 375 CD LYS A 23 -7.416 -8.349 3.794 1.00 0.00 C ATOM 376 CE LYS A 23 -7.225 -9.853 3.668 1.00 0.00 C ATOM 377 NZ LYS A 23 -8.093 -10.436 2.608 1.00 0.00 N ATOM 0 H LYS A 23 -7.180 -4.492 5.268 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.383 -6.211 6.542 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.644 -5.880 3.892 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.075 -6.657 3.813 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.765 -8.477 5.160 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.151 -7.610 5.792 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.464 -8.131 4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.172 -7.870 2.846 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.181 -10.069 3.441 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.449 -10.329 4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.933 -11.462 2.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.091 -10.253 2.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.862 -10.001 1.692 1.00 0.00 H new ATOM 391 N CYS A 24 -3.980 -3.826 4.836 1.00 0.00 N ATOM 392 CA CYS A 24 -2.706 -3.197 4.511 1.00 0.00 C ATOM 393 C CYS A 24 -1.966 -2.775 5.775 1.00 0.00 C ATOM 394 O CYS A 24 -0.740 -2.858 5.843 1.00 0.00 O ATOM 395 CB CYS A 24 -2.926 -1.989 3.600 1.00 0.00 C ATOM 396 SG CYS A 24 -1.412 -1.096 3.172 1.00 0.00 S ATOM 0 H CYS A 24 -4.799 -3.252 4.633 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.093 -3.929 3.985 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.409 -2.324 2.682 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.615 -1.300 4.089 1.00 0.00 H new ATOM 0 HG CYS A 24 -1.030 -1.437 1.977 1.00 0.00 H new ATOM 402 N LEU A 25 -2.713 -2.325 6.775 1.00 0.00 N ATOM 403 CA LEU A 25 -2.116 -1.897 8.031 1.00 0.00 C ATOM 404 C LEU A 25 -1.389 -3.057 8.705 1.00 0.00 C ATOM 405 O LEU A 25 -0.288 -2.893 9.231 1.00 0.00 O ATOM 406 CB LEU A 25 -3.184 -1.333 8.968 1.00 0.00 C ATOM 407 CG LEU A 25 -2.664 -0.337 10.006 1.00 0.00 C ATOM 408 CD1 LEU A 25 -3.566 0.885 10.076 1.00 0.00 C ATOM 409 CD2 LEU A 25 -2.549 -0.998 11.370 1.00 0.00 C ATOM 0 H LEU A 25 -3.729 -2.247 6.740 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.392 -1.112 7.812 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.952 -0.844 8.369 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.665 -2.161 9.488 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.670 -0.010 9.699 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.179 1.581 10.820 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.593 1.373 9.102 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.574 0.578 10.356 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.178 -0.274 12.095 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.529 -1.356 11.684 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.858 -1.839 11.310 1.00 0.00 H new ATOM 421 N GLY A 26 -2.012 -4.232 8.683 1.00 0.00 N ATOM 422 CA GLY A 26 -1.411 -5.403 9.295 1.00 0.00 C ATOM 423 C GLY A 26 -0.340 -6.034 8.425 1.00 0.00 C ATOM 424 O GLY A 26 0.705 -6.455 8.924 1.00 0.00 O ATOM 0 H GLY A 26 -2.922 -4.394 8.252 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.976 -5.123 10.254 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.188 -6.140 9.500 1.00 0.00 H new ATOM 428 N GLU A 27 -0.598 -6.103 7.124 1.00 0.00 N ATOM 429 CA GLU A 27 0.354 -6.691 6.186 1.00 0.00 C ATOM 430 C GLU A 27 1.662 -5.906 6.170 1.00 0.00 C ATOM 431 O GLU A 27 2.741 -6.470 6.365 1.00 0.00 O ATOM 432 CB GLU A 27 -0.243 -6.734 4.778 1.00 0.00 C ATOM 433 CG GLU A 27 -1.168 -7.919 4.545 1.00 0.00 C ATOM 434 CD GLU A 27 -1.706 -7.968 3.129 1.00 0.00 C ATOM 435 OE1 GLU A 27 -0.941 -7.663 2.191 1.00 0.00 O ATOM 436 OE2 GLU A 27 -2.895 -8.312 2.958 1.00 0.00 O ATOM 0 H GLU A 27 -1.457 -5.760 6.694 1.00 0.00 H new ATOM 0 HA GLU A 27 0.565 -7.708 6.516 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.795 -5.812 4.598 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.567 -6.767 4.050 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.630 -8.843 4.758 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.002 -7.868 5.245 1.00 0.00 H new ATOM 443 N LEU A 28 1.560 -4.602 5.935 1.00 0.00 N ATOM 444 CA LEU A 28 2.735 -3.740 5.891 1.00 0.00 C ATOM 445 C LEU A 28 3.506 -3.797 7.205 1.00 0.00 C ATOM 446 O LEU A 28 4.724 -3.623 7.228 1.00 0.00 O ATOM 447 CB LEU A 28 2.329 -2.298 5.579 1.00 0.00 C ATOM 448 CG LEU A 28 2.182 -1.978 4.091 1.00 0.00 C ATOM 449 CD1 LEU A 28 1.867 -0.504 3.891 1.00 0.00 C ATOM 450 CD2 LEU A 28 3.448 -2.359 3.335 1.00 0.00 C ATOM 0 H LEU A 28 0.676 -4.119 5.772 1.00 0.00 H new ATOM 0 HA LEU A 28 3.388 -4.102 5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.382 -2.087 6.076 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.072 -1.626 6.009 1.00 0.00 H new ATOM 0 HG LEU A 28 1.354 -2.565 3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.766 -0.295 2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.934 -0.259 4.399 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.675 0.100 4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.325 -2.124 2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.293 -1.799 3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.633 -3.427 3.450 1.00 0.00 H new ATOM 462 N THR A 29 2.793 -4.048 8.299 1.00 0.00 N ATOM 463 CA THR A 29 3.425 -4.134 9.610 1.00 0.00 C ATOM 464 C THR A 29 4.437 -5.275 9.639 1.00 0.00 C ATOM 465 O THR A 29 5.500 -5.161 10.250 1.00 0.00 O ATOM 466 CB THR A 29 2.369 -4.336 10.702 1.00 0.00 C ATOM 467 OG1 THR A 29 1.548 -3.189 10.821 1.00 0.00 O ATOM 468 CG2 THR A 29 2.960 -4.614 12.070 1.00 0.00 C ATOM 0 H THR A 29 1.784 -4.194 8.304 1.00 0.00 H new ATOM 0 HA THR A 29 3.949 -3.197 9.801 1.00 0.00 H new ATOM 0 HB THR A 29 1.796 -5.208 10.387 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.085 -3.029 9.972 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.156 -4.746 12.794 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.564 -5.521 12.028 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.586 -3.775 12.373 1.00 0.00 H new ATOM 476 N GLU A 30 4.103 -6.372 8.967 1.00 0.00 N ATOM 477 CA GLU A 30 4.983 -7.533 8.911 1.00 0.00 C ATOM 478 C GLU A 30 6.261 -7.207 8.144 1.00 0.00 C ATOM 479 O GLU A 30 7.363 -7.338 8.675 1.00 0.00 O ATOM 480 CB GLU A 30 4.267 -8.713 8.250 1.00 0.00 C ATOM 481 CG GLU A 30 3.308 -9.440 9.179 1.00 0.00 C ATOM 482 CD GLU A 30 2.893 -10.797 8.643 1.00 0.00 C ATOM 483 OE1 GLU A 30 3.708 -11.740 8.719 1.00 0.00 O ATOM 484 OE2 GLU A 30 1.752 -10.915 8.148 1.00 0.00 O ATOM 0 H GLU A 30 3.229 -6.481 8.453 1.00 0.00 H new ATOM 0 HA GLU A 30 5.249 -7.805 9.932 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.716 -8.353 7.382 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.011 -9.420 7.884 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.779 -9.567 10.154 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.420 -8.826 9.331 1.00 0.00 H new ATOM 491 N VAL A 31 6.104 -6.778 6.895 1.00 0.00 N ATOM 492 CA VAL A 31 7.248 -6.430 6.058 1.00 0.00 C ATOM 493 C VAL A 31 8.126 -5.383 6.738 1.00 0.00 C ATOM 494 O VAL A 31 9.346 -5.382 6.579 1.00 0.00 O ATOM 495 CB VAL A 31 6.800 -5.899 4.684 1.00 0.00 C ATOM 496 CG1 VAL A 31 5.862 -4.722 4.857 1.00 0.00 C ATOM 497 CG2 VAL A 31 8.001 -5.512 3.832 1.00 0.00 C ATOM 0 H VAL A 31 5.198 -6.663 6.441 1.00 0.00 H new ATOM 0 HA VAL A 31 7.824 -7.344 5.912 1.00 0.00 H new ATOM 0 HB VAL A 31 6.266 -6.695 4.165 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.553 -4.356 3.878 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.984 -5.036 5.421 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.374 -3.925 5.397 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.658 -5.140 2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.571 -4.733 4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.635 -6.385 3.680 1.00 0.00 H new ATOM 507 N CYS A 32 7.494 -4.495 7.500 1.00 0.00 N ATOM 508 CA CYS A 32 8.217 -3.446 8.207 1.00 0.00 C ATOM 509 C CYS A 32 9.256 -4.046 9.149 1.00 0.00 C ATOM 510 O CYS A 32 10.450 -3.773 9.028 1.00 0.00 O ATOM 511 CB CYS A 32 7.242 -2.569 8.994 1.00 0.00 C ATOM 512 SG CYS A 32 6.494 -1.240 8.022 1.00 0.00 S ATOM 0 H CYS A 32 6.484 -4.482 7.643 1.00 0.00 H new ATOM 0 HA CYS A 32 8.733 -2.831 7.470 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.450 -3.198 9.399 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.767 -2.132 9.843 1.00 0.00 H new ATOM 0 HG CYS A 32 5.497 -1.713 7.335 1.00 0.00 H new ATOM 518 N LYS A 33 8.794 -4.868 10.087 1.00 0.00 N ATOM 519 CA LYS A 33 9.684 -5.510 11.050 1.00 0.00 C ATOM 520 C LYS A 33 10.765 -6.315 10.337 1.00 0.00 C ATOM 521 O LYS A 33 11.949 -6.201 10.655 1.00 0.00 O ATOM 522 CB LYS A 33 8.889 -6.424 11.985 1.00 0.00 C ATOM 523 CG LYS A 33 7.605 -5.801 12.505 1.00 0.00 C ATOM 524 CD LYS A 33 7.225 -6.362 13.864 1.00 0.00 C ATOM 525 CE LYS A 33 5.925 -5.759 14.373 1.00 0.00 C ATOM 526 NZ LYS A 33 5.636 -6.167 15.777 1.00 0.00 N ATOM 0 H LYS A 33 7.809 -5.105 10.201 1.00 0.00 H new ATOM 0 HA LYS A 33 10.163 -4.728 11.639 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.647 -7.346 11.457 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.518 -6.698 12.832 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.727 -4.720 12.578 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.798 -5.984 11.796 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.123 -7.445 13.796 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.024 -6.162 14.578 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.982 -4.672 14.315 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.103 -6.070 13.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.742 -5.735 16.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.557 -7.203 15.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.408 -5.848 16.397 1.00 0.00 H new ATOM 540 N SER A 34 10.350 -7.130 9.372 1.00 0.00 N ATOM 541 CA SER A 34 11.282 -7.955 8.613 1.00 0.00 C ATOM 542 C SER A 34 12.375 -7.099 7.978 1.00 0.00 C ATOM 543 O SER A 34 13.495 -7.561 7.765 1.00 0.00 O ATOM 544 CB SER A 34 10.536 -8.738 7.528 1.00 0.00 C ATOM 545 OG SER A 34 10.939 -10.096 7.512 1.00 0.00 O ATOM 0 H SER A 34 9.373 -7.236 9.097 1.00 0.00 H new ATOM 0 HA SER A 34 11.750 -8.658 9.302 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.462 -8.676 7.704 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.726 -8.287 6.554 1.00 0.00 H new ATOM 0 HG SER A 34 10.448 -10.575 6.812 1.00 0.00 H new ATOM 551 N LEU A 35 12.040 -5.847 7.682 1.00 0.00 N ATOM 552 CA LEU A 35 12.990 -4.923 7.076 1.00 0.00 C ATOM 553 C LEU A 35 13.942 -4.359 8.127 1.00 0.00 C ATOM 554 O LEU A 35 15.087 -4.024 7.825 1.00 0.00 O ATOM 555 CB LEU A 35 12.249 -3.782 6.376 1.00 0.00 C ATOM 556 CG LEU A 35 11.804 -4.084 4.943 1.00 0.00 C ATOM 557 CD1 LEU A 35 11.051 -2.899 4.354 1.00 0.00 C ATOM 558 CD2 LEU A 35 13.008 -4.438 4.082 1.00 0.00 C ATOM 0 H LEU A 35 11.116 -5.449 7.853 1.00 0.00 H new ATOM 0 HA LEU A 35 13.575 -5.472 6.338 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.370 -3.523 6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.894 -2.904 6.363 1.00 0.00 H new ATOM 0 HG LEU A 35 11.128 -4.939 4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.743 -3.134 3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.170 -2.690 4.960 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.700 -2.024 4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.678 -4.651 3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.705 -3.600 4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.504 -5.317 4.494 1.00 0.00 H new ATOM 570 N GLY A 36 13.460 -4.258 9.361 1.00 0.00 N ATOM 571 CA GLY A 36 14.280 -3.734 10.438 1.00 0.00 C ATOM 572 C GLY A 36 15.318 -4.731 10.917 1.00 0.00 C ATOM 573 O GLY A 36 16.354 -4.346 11.458 1.00 0.00 O ATOM 0 H GLY A 36 12.516 -4.530 9.635 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.781 -2.827 10.100 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.639 -3.452 11.274 1.00 0.00 H new ATOM 577 N LYS A 37 15.039 -6.016 10.721 1.00 0.00 N ATOM 578 CA LYS A 37 15.956 -7.070 11.139 1.00 0.00 C ATOM 579 C LYS A 37 17.109 -7.216 10.150 1.00 0.00 C ATOM 580 O LYS A 37 18.216 -7.604 10.525 1.00 0.00 O ATOM 581 CB LYS A 37 15.213 -8.399 11.275 1.00 0.00 C ATOM 582 CG LYS A 37 14.422 -8.785 10.037 1.00 0.00 C ATOM 583 CD LYS A 37 13.915 -10.217 10.118 1.00 0.00 C ATOM 584 CE LYS A 37 14.630 -11.120 9.125 1.00 0.00 C ATOM 585 NZ LYS A 37 16.037 -11.389 9.529 1.00 0.00 N ATOM 0 H LYS A 37 14.185 -6.352 10.275 1.00 0.00 H new ATOM 0 HA LYS A 37 16.368 -6.792 12.109 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.933 -9.187 11.496 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.534 -8.340 12.126 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.578 -8.106 9.918 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.050 -8.671 9.153 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.061 -10.599 11.128 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.843 -10.236 9.922 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.091 -12.063 9.039 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.618 -10.656 8.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.488 -12.008 8.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.559 -10.492 9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.048 -11.856 10.458 1.00 0.00 H new ATOM 599 N VAL A 38 16.843 -6.905 8.885 1.00 0.00 N ATOM 600 CA VAL A 38 17.859 -7.004 7.844 1.00 0.00 C ATOM 601 C VAL A 38 18.696 -5.732 7.764 1.00 0.00 C ATOM 602 O VAL A 38 19.887 -5.780 7.457 1.00 0.00 O ATOM 603 CB VAL A 38 17.230 -7.275 6.467 1.00 0.00 C ATOM 604 CG1 VAL A 38 16.718 -8.705 6.384 1.00 0.00 C ATOM 605 CG2 VAL A 38 16.114 -6.284 6.194 1.00 0.00 C ATOM 0 H VAL A 38 15.933 -6.582 8.557 1.00 0.00 H new ATOM 0 HA VAL A 38 18.502 -7.842 8.114 1.00 0.00 H new ATOM 0 HB VAL A 38 17.997 -7.147 5.703 1.00 0.00 H new ATOM 0 HG11 VAL A 38 16.277 -8.877 5.402 1.00 0.00 H new ATOM 0 HG12 VAL A 38 17.546 -9.397 6.536 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.964 -8.867 7.154 1.00 0.00 H new ATOM 0 HG21 VAL A 38 15.678 -6.488 5.216 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.346 -6.381 6.961 1.00 0.00 H new ATOM 0 HG23 VAL A 38 16.516 -5.271 6.208 1.00 0.00 H new ATOM 615 N PHE A 39 18.065 -4.595 8.041 1.00 0.00 N ATOM 616 CA PHE A 39 18.753 -3.310 8.000 1.00 0.00 C ATOM 617 C PHE A 39 19.387 -2.984 9.348 1.00 0.00 C ATOM 618 O PHE A 39 20.378 -2.258 9.418 1.00 0.00 O ATOM 619 CB PHE A 39 17.780 -2.202 7.596 1.00 0.00 C ATOM 620 CG PHE A 39 17.604 -2.070 6.110 1.00 0.00 C ATOM 621 CD1 PHE A 39 18.666 -1.686 5.306 1.00 0.00 C ATOM 622 CD2 PHE A 39 16.380 -2.330 5.518 1.00 0.00 C ATOM 623 CE1 PHE A 39 18.508 -1.566 3.938 1.00 0.00 C ATOM 624 CE2 PHE A 39 16.214 -2.212 4.151 1.00 0.00 C ATOM 625 CZ PHE A 39 17.281 -1.830 3.360 1.00 0.00 C ATOM 0 H PHE A 39 17.079 -4.538 8.296 1.00 0.00 H new ATOM 0 HA PHE A 39 19.548 -3.376 7.257 1.00 0.00 H new ATOM 0 HB2 PHE A 39 16.810 -2.397 8.053 1.00 0.00 H new ATOM 0 HB3 PHE A 39 18.136 -1.253 7.997 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.627 -1.478 5.753 1.00 0.00 H new ATOM 0 HD2 PHE A 39 15.544 -2.629 6.132 1.00 0.00 H new ATOM 0 HE1 PHE A 39 19.343 -1.266 3.322 1.00 0.00 H new ATOM 0 HE2 PHE A 39 15.253 -2.418 3.702 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.156 -1.738 2.291 1.00 0.00 H new ATOM 635 N GLY A 40 18.810 -3.524 10.417 1.00 0.00 N ATOM 636 CA GLY A 40 19.333 -3.276 11.746 1.00 0.00 C ATOM 637 C GLY A 40 18.643 -2.116 12.436 1.00 0.00 C ATOM 638 O GLY A 40 19.231 -1.456 13.294 1.00 0.00 O ATOM 0 H GLY A 40 17.989 -4.129 10.385 1.00 0.00 H new ATOM 0 HA2 GLY A 40 19.218 -4.175 12.352 1.00 0.00 H new ATOM 0 HA3 GLY A 40 20.402 -3.071 11.680 1.00 0.00 H new ATOM 642 N VAL A 41 17.391 -1.868 12.065 1.00 0.00 N ATOM 643 CA VAL A 41 16.619 -0.781 12.657 1.00 0.00 C ATOM 644 C VAL A 41 15.404 -1.319 13.405 1.00 0.00 C ATOM 645 O VAL A 41 15.129 -2.518 13.382 1.00 0.00 O ATOM 646 CB VAL A 41 16.150 0.225 11.588 1.00 0.00 C ATOM 647 CG1 VAL A 41 17.323 1.043 11.072 1.00 0.00 C ATOM 648 CG2 VAL A 41 15.449 -0.495 10.447 1.00 0.00 C ATOM 0 H VAL A 41 16.889 -2.405 11.357 1.00 0.00 H new ATOM 0 HA VAL A 41 17.278 -0.268 13.358 1.00 0.00 H new ATOM 0 HB VAL A 41 15.436 0.908 12.048 1.00 0.00 H new ATOM 0 HG11 VAL A 41 16.972 1.748 10.318 1.00 0.00 H new ATOM 0 HG12 VAL A 41 17.776 1.591 11.898 1.00 0.00 H new ATOM 0 HG13 VAL A 41 18.064 0.377 10.629 1.00 0.00 H new ATOM 0 HG21 VAL A 41 15.125 0.232 9.702 1.00 0.00 H new ATOM 0 HG22 VAL A 41 16.137 -1.204 9.987 1.00 0.00 H new ATOM 0 HG23 VAL A 41 14.581 -1.030 10.833 1.00 0.00 H new ATOM 658 N HIS A 42 14.683 -0.423 14.071 1.00 0.00 N ATOM 659 CA HIS A 42 13.498 -0.809 14.829 1.00 0.00 C ATOM 660 C HIS A 42 12.246 -0.754 13.957 1.00 0.00 C ATOM 661 O HIS A 42 12.241 -0.123 12.901 1.00 0.00 O ATOM 662 CB HIS A 42 13.326 0.104 16.046 1.00 0.00 C ATOM 663 CG HIS A 42 12.294 -0.383 17.016 1.00 0.00 C ATOM 664 ND1 HIS A 42 12.210 -1.696 17.431 1.00 0.00 N ATOM 665 CD2 HIS A 42 11.299 0.276 17.655 1.00 0.00 C ATOM 666 CE1 HIS A 42 11.208 -1.823 18.282 1.00 0.00 C ATOM 667 NE2 HIS A 42 10.640 -0.641 18.435 1.00 0.00 N ATOM 0 H HIS A 42 14.898 0.574 14.101 1.00 0.00 H new ATOM 0 HA HIS A 42 13.635 -1.836 15.168 1.00 0.00 H new ATOM 0 HB2 HIS A 42 14.283 0.195 16.560 1.00 0.00 H new ATOM 0 HB3 HIS A 42 13.051 1.102 15.706 1.00 0.00 H new ATOM 0 HD2 HIS A 42 11.067 1.327 17.567 1.00 0.00 H new ATOM 0 HE1 HIS A 42 10.905 -2.738 18.770 1.00 0.00 H new ATOM 0 HE2 HIS A 42 9.840 -0.442 19.036 1.00 0.00 H new ATOM 676 N TYR A 43 11.188 -1.420 14.411 1.00 0.00 N ATOM 677 CA TYR A 43 9.926 -1.451 13.679 1.00 0.00 C ATOM 678 C TYR A 43 9.442 -0.035 13.370 1.00 0.00 C ATOM 679 O TYR A 43 9.087 0.277 12.234 1.00 0.00 O ATOM 680 CB TYR A 43 8.867 -2.207 14.488 1.00 0.00 C ATOM 681 CG TYR A 43 7.468 -2.105 13.922 1.00 0.00 C ATOM 682 CD1 TYR A 43 7.242 -2.186 12.555 1.00 0.00 C ATOM 683 CD2 TYR A 43 6.372 -1.928 14.759 1.00 0.00 C ATOM 684 CE1 TYR A 43 5.964 -2.092 12.035 1.00 0.00 C ATOM 685 CE2 TYR A 43 5.092 -1.834 14.248 1.00 0.00 C ATOM 686 CZ TYR A 43 4.894 -1.917 12.886 1.00 0.00 C ATOM 687 OH TYR A 43 3.619 -1.824 12.374 1.00 0.00 O ATOM 0 H TYR A 43 11.180 -1.947 15.285 1.00 0.00 H new ATOM 0 HA TYR A 43 10.089 -1.970 12.734 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.149 -3.258 14.543 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.863 -1.824 15.509 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.078 -2.325 11.886 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.524 -1.863 15.826 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.805 -2.155 10.969 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.251 -1.696 14.912 1.00 0.00 H new ATOM 0 HH TYR A 43 2.980 -1.704 13.107 1.00 0.00 H new ATOM 697 N PHE A 44 9.433 0.817 14.390 1.00 0.00 N ATOM 698 CA PHE A 44 8.994 2.198 14.228 1.00 0.00 C ATOM 699 C PHE A 44 9.940 2.967 13.309 1.00 0.00 C ATOM 700 O PHE A 44 9.541 3.935 12.662 1.00 0.00 O ATOM 701 CB PHE A 44 8.911 2.890 15.591 1.00 0.00 C ATOM 702 CG PHE A 44 7.504 3.169 16.038 1.00 0.00 C ATOM 703 CD1 PHE A 44 6.760 4.175 15.441 1.00 0.00 C ATOM 704 CD2 PHE A 44 6.925 2.424 17.053 1.00 0.00 C ATOM 705 CE1 PHE A 44 5.466 4.432 15.851 1.00 0.00 C ATOM 706 CE2 PHE A 44 5.631 2.677 17.466 1.00 0.00 C ATOM 707 CZ PHE A 44 4.900 3.683 16.865 1.00 0.00 C ATOM 0 H PHE A 44 9.725 0.575 15.337 1.00 0.00 H new ATOM 0 HA PHE A 44 8.004 2.188 13.772 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.403 2.266 16.337 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.462 3.829 15.547 1.00 0.00 H new ATOM 0 HD1 PHE A 44 7.196 4.764 14.648 1.00 0.00 H new ATOM 0 HD2 PHE A 44 7.492 1.636 17.527 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.896 5.219 15.379 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.192 2.089 18.258 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.889 3.884 17.187 1.00 0.00 H new ATOM 717 N ASN A 45 11.195 2.532 13.259 1.00 0.00 N ATOM 718 CA ASN A 45 12.197 3.183 12.421 1.00 0.00 C ATOM 719 C ASN A 45 11.806 3.116 10.947 1.00 0.00 C ATOM 720 O ASN A 45 12.129 4.015 10.170 1.00 0.00 O ATOM 721 CB ASN A 45 13.566 2.531 12.631 1.00 0.00 C ATOM 722 CG ASN A 45 14.594 3.507 13.169 1.00 0.00 C ATOM 723 OD1 ASN A 45 14.912 4.510 12.529 1.00 0.00 O ATOM 724 ND2 ASN A 45 15.121 3.219 14.353 1.00 0.00 N ATOM 0 H ASN A 45 11.543 1.732 13.788 1.00 0.00 H new ATOM 0 HA ASN A 45 12.252 4.232 12.712 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.465 1.695 13.323 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.919 2.120 11.685 1.00 0.00 H new ATOM 0 HD21 ASN A 45 15.818 3.839 14.766 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.829 2.377 14.850 1.00 0.00 H new ATOM 731 N ILE A 46 11.112 2.049 10.567 1.00 0.00 N ATOM 732 CA ILE A 46 10.681 1.872 9.185 1.00 0.00 C ATOM 733 C ILE A 46 9.652 2.926 8.793 1.00 0.00 C ATOM 734 O ILE A 46 9.920 3.786 7.953 1.00 0.00 O ATOM 735 CB ILE A 46 10.078 0.473 8.951 1.00 0.00 C ATOM 736 CG1 ILE A 46 10.998 -0.608 9.524 1.00 0.00 C ATOM 737 CG2 ILE A 46 9.839 0.239 7.467 1.00 0.00 C ATOM 738 CD1 ILE A 46 12.405 -0.562 8.970 1.00 0.00 C ATOM 0 H ILE A 46 10.836 1.294 11.195 1.00 0.00 H new ATOM 0 HA ILE A 46 11.570 1.981 8.564 1.00 0.00 H new ATOM 0 HB ILE A 46 9.119 0.418 9.467 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.040 -0.501 10.608 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.567 -1.587 9.317 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.413 -0.753 7.319 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.148 0.991 7.087 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.785 0.311 6.930 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.000 -1.356 9.421 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.375 -0.700 7.889 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.855 0.404 9.200 1.00 0.00 H new ATOM 750 N PHE A 47 8.475 2.854 9.405 1.00 0.00 N ATOM 751 CA PHE A 47 7.406 3.804 9.117 1.00 0.00 C ATOM 752 C PHE A 47 6.700 4.235 10.399 1.00 0.00 C ATOM 753 O PHE A 47 6.924 3.664 11.467 1.00 0.00 O ATOM 754 CB PHE A 47 6.392 3.188 8.149 1.00 0.00 C ATOM 755 CG PHE A 47 6.853 3.136 6.716 1.00 0.00 C ATOM 756 CD1 PHE A 47 7.800 4.029 6.232 1.00 0.00 C ATOM 757 CD2 PHE A 47 6.333 2.188 5.847 1.00 0.00 C ATOM 758 CE1 PHE A 47 8.214 3.977 4.914 1.00 0.00 C ATOM 759 CE2 PHE A 47 6.745 2.133 4.530 1.00 0.00 C ATOM 760 CZ PHE A 47 7.686 3.027 4.063 1.00 0.00 C ATOM 0 H PHE A 47 8.237 2.149 10.103 1.00 0.00 H new ATOM 0 HA PHE A 47 7.853 4.684 8.654 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.160 2.176 8.480 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.466 3.760 8.200 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.218 4.773 6.893 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.596 1.484 6.205 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.950 4.679 4.551 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.330 1.390 3.865 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.009 2.984 3.033 1.00 0.00 H new ATOM 770 N ASN A 48 5.844 5.245 10.283 1.00 0.00 N ATOM 771 CA ASN A 48 5.101 5.756 11.428 1.00 0.00 C ATOM 772 C ASN A 48 3.618 5.423 11.304 1.00 0.00 C ATOM 773 O ASN A 48 3.143 5.044 10.234 1.00 0.00 O ATOM 774 CB ASN A 48 5.287 7.270 11.548 1.00 0.00 C ATOM 775 CG ASN A 48 6.632 7.644 12.138 1.00 0.00 C ATOM 776 OD1 ASN A 48 6.922 7.339 13.295 1.00 0.00 O ATOM 777 ND2 ASN A 48 7.462 8.309 11.344 1.00 0.00 N ATOM 0 H ASN A 48 5.648 5.726 9.405 1.00 0.00 H new ATOM 0 HA ASN A 48 5.490 5.277 12.327 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.187 7.724 10.562 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.493 7.682 12.171 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.381 8.588 11.686 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.180 8.541 10.392 1.00 0.00 H new ATOM 784 N THR A 49 2.889 5.565 12.409 1.00 0.00 N ATOM 785 CA THR A 49 1.459 5.278 12.426 1.00 0.00 C ATOM 786 C THR A 49 0.728 6.052 11.331 1.00 0.00 C ATOM 787 O THR A 49 -0.298 5.603 10.820 1.00 0.00 O ATOM 788 CB THR A 49 0.866 5.624 13.792 1.00 0.00 C ATOM 789 OG1 THR A 49 1.565 4.954 14.826 1.00 0.00 O ATOM 790 CG2 THR A 49 -0.598 5.263 13.918 1.00 0.00 C ATOM 0 H THR A 49 3.266 5.877 13.304 1.00 0.00 H new ATOM 0 HA THR A 49 1.329 4.212 12.237 1.00 0.00 H new ATOM 0 HB THR A 49 0.965 6.706 13.885 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.172 5.189 15.692 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.956 5.535 14.911 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.172 5.803 13.165 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.722 4.190 13.769 1.00 0.00 H new ATOM 798 N VAL A 50 1.263 7.217 10.978 1.00 0.00 N ATOM 799 CA VAL A 50 0.659 8.052 9.944 1.00 0.00 C ATOM 800 C VAL A 50 0.933 7.492 8.552 1.00 0.00 C ATOM 801 O VAL A 50 0.132 7.665 7.634 1.00 0.00 O ATOM 802 CB VAL A 50 1.183 9.497 10.012 1.00 0.00 C ATOM 803 CG1 VAL A 50 0.587 10.228 11.205 1.00 0.00 C ATOM 804 CG2 VAL A 50 2.698 9.507 10.071 1.00 0.00 C ATOM 0 H VAL A 50 2.111 7.604 11.391 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.415 8.052 10.128 1.00 0.00 H new ATOM 0 HB VAL A 50 0.873 10.021 9.108 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.970 11.248 11.235 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.499 10.251 11.112 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.862 9.710 12.124 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.053 10.536 10.119 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.031 8.967 10.957 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.100 9.025 9.180 1.00 0.00 H new ATOM 814 N THR A 51 2.071 6.824 8.402 1.00 0.00 N ATOM 815 CA THR A 51 2.455 6.242 7.121 1.00 0.00 C ATOM 816 C THR A 51 1.584 5.036 6.784 1.00 0.00 C ATOM 817 O THR A 51 0.975 4.976 5.716 1.00 0.00 O ATOM 818 CB THR A 51 3.928 5.831 7.148 1.00 0.00 C ATOM 819 OG1 THR A 51 4.758 6.957 7.376 1.00 0.00 O ATOM 820 CG2 THR A 51 4.394 5.171 5.867 1.00 0.00 C ATOM 0 H THR A 51 2.745 6.672 9.153 1.00 0.00 H new ATOM 0 HA THR A 51 2.308 6.997 6.349 1.00 0.00 H new ATOM 0 HB THR A 51 4.008 5.107 7.959 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.277 7.774 7.127 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.447 4.906 5.957 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.807 4.270 5.688 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.263 5.861 5.034 1.00 0.00 H new ATOM 828 N LEU A 52 1.533 4.074 7.700 1.00 0.00 N ATOM 829 CA LEU A 52 0.741 2.863 7.499 1.00 0.00 C ATOM 830 C LEU A 52 -0.712 3.201 7.178 1.00 0.00 C ATOM 831 O LEU A 52 -1.271 2.710 6.199 1.00 0.00 O ATOM 832 CB LEU A 52 0.805 1.974 8.743 1.00 0.00 C ATOM 833 CG LEU A 52 2.217 1.594 9.196 1.00 0.00 C ATOM 834 CD1 LEU A 52 2.192 1.056 10.618 1.00 0.00 C ATOM 835 CD2 LEU A 52 2.822 0.570 8.248 1.00 0.00 C ATOM 0 H LEU A 52 2.031 4.109 8.590 1.00 0.00 H new ATOM 0 HA LEU A 52 1.163 2.325 6.650 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.302 2.486 9.563 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.244 1.060 8.547 1.00 0.00 H new ATOM 0 HG LEU A 52 2.839 2.489 9.178 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.204 0.791 10.924 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.798 1.819 11.289 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.556 0.172 10.661 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.826 0.311 8.585 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.201 -0.326 8.235 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.873 0.990 7.243 1.00 0.00 H new ATOM 847 N LYS A 53 -1.318 4.043 8.010 1.00 0.00 N ATOM 848 CA LYS A 53 -2.706 4.442 7.813 1.00 0.00 C ATOM 849 C LYS A 53 -2.897 5.110 6.453 1.00 0.00 C ATOM 850 O LYS A 53 -3.982 5.060 5.874 1.00 0.00 O ATOM 851 CB LYS A 53 -3.152 5.388 8.930 1.00 0.00 C ATOM 852 CG LYS A 53 -2.471 6.747 8.889 1.00 0.00 C ATOM 853 CD LYS A 53 -3.174 7.750 9.790 1.00 0.00 C ATOM 854 CE LYS A 53 -2.654 7.677 11.216 1.00 0.00 C ATOM 855 NZ LYS A 53 -3.742 7.862 12.215 1.00 0.00 N ATOM 0 H LYS A 53 -0.870 4.461 8.825 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.322 3.543 7.842 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.231 5.530 8.865 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.950 4.919 9.893 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.431 6.644 9.200 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.462 7.120 7.865 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.028 8.757 9.399 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.247 7.558 9.782 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.173 6.712 11.378 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.892 8.442 11.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.345 7.805 13.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.185 8.793 12.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.457 7.117 12.091 1.00 0.00 H new ATOM 869 N LYS A 54 -1.837 5.734 5.947 1.00 0.00 N ATOM 870 CA LYS A 54 -1.895 6.411 4.656 1.00 0.00 C ATOM 871 C LYS A 54 -1.855 5.404 3.508 1.00 0.00 C ATOM 872 O LYS A 54 -2.785 5.330 2.707 1.00 0.00 O ATOM 873 CB LYS A 54 -0.741 7.409 4.526 1.00 0.00 C ATOM 874 CG LYS A 54 -1.187 8.861 4.585 1.00 0.00 C ATOM 875 CD LYS A 54 -1.572 9.271 5.998 1.00 0.00 C ATOM 876 CE LYS A 54 -2.854 10.091 6.011 1.00 0.00 C ATOM 877 NZ LYS A 54 -4.065 9.229 5.928 1.00 0.00 N ATOM 0 H LYS A 54 -0.930 5.785 6.410 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.839 6.954 4.600 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.021 7.226 5.323 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.224 7.234 3.583 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.384 9.504 4.225 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.037 9.009 3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.702 8.381 6.614 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.763 9.851 6.443 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.894 10.687 6.923 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.847 10.789 5.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.917 9.824 5.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.048 8.691 5.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.077 8.569 6.731 1.00 0.00 H new ATOM 891 N LEU A 55 -0.775 4.627 3.438 1.00 0.00 N ATOM 892 CA LEU A 55 -0.630 3.623 2.388 1.00 0.00 C ATOM 893 C LEU A 55 -1.817 2.664 2.368 1.00 0.00 C ATOM 894 O LEU A 55 -2.110 2.045 1.344 1.00 0.00 O ATOM 895 CB LEU A 55 0.671 2.838 2.564 1.00 0.00 C ATOM 896 CG LEU A 55 1.898 3.463 1.891 1.00 0.00 C ATOM 897 CD1 LEU A 55 2.895 3.958 2.924 1.00 0.00 C ATOM 898 CD2 LEU A 55 2.559 2.462 0.960 1.00 0.00 C ATOM 0 H LEU A 55 0.007 4.673 4.092 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.599 4.150 1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.873 2.733 3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.529 1.833 2.166 1.00 0.00 H new ATOM 0 HG LEU A 55 1.562 4.319 1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.755 4.396 2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.422 4.711 3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.224 3.122 3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.429 2.921 0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.874 1.588 1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.850 2.157 0.191 1.00 0.00 H new ATOM 910 N ALA A 56 -2.500 2.544 3.502 1.00 0.00 N ATOM 911 CA ALA A 56 -3.653 1.660 3.610 1.00 0.00 C ATOM 912 C ALA A 56 -4.907 2.321 3.045 1.00 0.00 C ATOM 913 O ALA A 56 -5.655 1.706 2.283 1.00 0.00 O ATOM 914 CB ALA A 56 -3.875 1.256 5.060 1.00 0.00 C ATOM 0 H ALA A 56 -2.274 3.049 4.359 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.449 0.765 3.022 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.740 0.596 5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.992 0.736 5.432 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.052 2.147 5.663 1.00 0.00 H new ATOM 920 N GLU A 57 -5.135 3.573 3.420 1.00 0.00 N ATOM 921 CA GLU A 57 -6.303 4.312 2.949 1.00 0.00 C ATOM 922 C GLU A 57 -6.358 4.328 1.423 1.00 0.00 C ATOM 923 O GLU A 57 -7.437 4.326 0.830 1.00 0.00 O ATOM 924 CB GLU A 57 -6.279 5.743 3.484 1.00 0.00 C ATOM 925 CG GLU A 57 -6.455 5.835 4.990 1.00 0.00 C ATOM 926 CD GLU A 57 -7.796 6.419 5.388 1.00 0.00 C ATOM 927 OE1 GLU A 57 -7.963 7.651 5.276 1.00 0.00 O ATOM 928 OE2 GLU A 57 -8.679 5.645 5.814 1.00 0.00 O ATOM 0 H GLU A 57 -4.528 4.099 4.048 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.194 3.808 3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.333 6.209 3.209 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.069 6.316 2.999 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.353 4.841 5.425 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.657 6.449 5.408 1.00 0.00 H new ATOM 935 N SER A 58 -5.186 4.343 0.796 1.00 0.00 N ATOM 936 CA SER A 58 -5.097 4.360 -0.660 1.00 0.00 C ATOM 937 C SER A 58 -5.145 2.942 -1.221 1.00 0.00 C ATOM 938 O SER A 58 -5.898 2.657 -2.152 1.00 0.00 O ATOM 939 CB SER A 58 -3.810 5.054 -1.105 1.00 0.00 C ATOM 940 OG SER A 58 -3.741 6.376 -0.597 1.00 0.00 O ATOM 0 H SER A 58 -4.285 4.344 1.273 1.00 0.00 H new ATOM 0 HA SER A 58 -5.952 4.915 -1.047 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.948 4.483 -0.761 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.763 5.077 -2.194 1.00 0.00 H new ATOM 0 HG SER A 58 -2.908 6.798 -0.894 1.00 0.00 H new ATOM 946 N LEU A 59 -4.339 2.056 -0.644 1.00 0.00 N ATOM 947 CA LEU A 59 -4.288 0.666 -1.082 1.00 0.00 C ATOM 948 C LEU A 59 -3.768 0.562 -2.516 1.00 0.00 C ATOM 949 O LEU A 59 -4.372 -0.094 -3.365 1.00 0.00 O ATOM 950 CB LEU A 59 -5.682 0.024 -0.966 1.00 0.00 C ATOM 951 CG LEU A 59 -5.831 -1.098 0.076 1.00 0.00 C ATOM 952 CD1 LEU A 59 -5.785 -2.460 -0.595 1.00 0.00 C ATOM 953 CD2 LEU A 59 -4.761 -1.009 1.155 1.00 0.00 C ATOM 0 H LEU A 59 -3.711 2.277 0.129 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.596 0.127 -0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.401 0.808 -0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.956 -0.377 -1.942 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.802 -0.971 0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.892 -3.241 0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.598 -2.538 -1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.831 -2.580 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.899 -1.818 1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.775 -1.094 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.841 -0.051 1.669 1.00 0.00 H new ATOM 965 N SER A 60 -2.639 1.213 -2.776 1.00 0.00 N ATOM 966 CA SER A 60 -2.029 1.193 -4.101 1.00 0.00 C ATOM 967 C SER A 60 -0.512 1.057 -3.993 1.00 0.00 C ATOM 968 O SER A 60 0.145 1.855 -3.325 1.00 0.00 O ATOM 969 CB SER A 60 -2.386 2.467 -4.868 1.00 0.00 C ATOM 970 OG SER A 60 -2.635 3.545 -3.981 1.00 0.00 O ATOM 0 H SER A 60 -2.127 1.762 -2.085 1.00 0.00 H new ATOM 0 HA SER A 60 -2.418 0.331 -4.644 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.571 2.729 -5.543 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.267 2.289 -5.485 1.00 0.00 H new ATOM 0 HG SER A 60 -2.859 4.348 -4.497 1.00 0.00 H new ATOM 976 N SER A 61 0.038 0.040 -4.652 1.00 0.00 N ATOM 977 CA SER A 61 1.477 -0.195 -4.620 1.00 0.00 C ATOM 978 C SER A 61 2.212 0.790 -5.524 1.00 0.00 C ATOM 979 O SER A 61 2.519 0.483 -6.675 1.00 0.00 O ATOM 980 CB SER A 61 1.793 -1.632 -5.049 1.00 0.00 C ATOM 981 OG SER A 61 0.636 -2.285 -5.544 1.00 0.00 O ATOM 0 H SER A 61 -0.489 -0.631 -5.212 1.00 0.00 H new ATOM 0 HA SER A 61 1.819 -0.045 -3.596 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.566 -1.623 -5.818 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.193 -2.188 -4.201 1.00 0.00 H new ATOM 0 HG SER A 61 0.027 -2.478 -4.801 1.00 0.00 H new ATOM 987 N ASP A 62 2.496 1.973 -4.989 1.00 0.00 N ATOM 988 CA ASP A 62 3.203 3.003 -5.740 1.00 0.00 C ATOM 989 C ASP A 62 4.437 3.475 -4.975 1.00 0.00 C ATOM 990 O ASP A 62 4.471 3.420 -3.748 1.00 0.00 O ATOM 991 CB ASP A 62 2.277 4.187 -6.018 1.00 0.00 C ATOM 992 CG ASP A 62 1.555 4.055 -7.345 1.00 0.00 C ATOM 993 OD1 ASP A 62 2.222 4.148 -8.397 1.00 0.00 O ATOM 994 OD2 ASP A 62 0.321 3.860 -7.333 1.00 0.00 O ATOM 0 H ASP A 62 2.247 2.242 -4.037 1.00 0.00 H new ATOM 0 HA ASP A 62 3.524 2.574 -6.689 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.544 4.269 -5.215 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.859 5.109 -6.014 1.00 0.00 H new ATOM 999 N PRO A 63 5.475 3.937 -5.693 1.00 0.00 N ATOM 1000 CA PRO A 63 6.713 4.411 -5.083 1.00 0.00 C ATOM 1001 C PRO A 63 6.657 5.889 -4.699 1.00 0.00 C ATOM 1002 O PRO A 63 7.048 6.268 -3.596 1.00 0.00 O ATOM 1003 CB PRO A 63 7.734 4.181 -6.190 1.00 0.00 C ATOM 1004 CG PRO A 63 6.968 4.371 -7.459 1.00 0.00 C ATOM 1005 CD PRO A 63 5.528 4.021 -7.163 1.00 0.00 C ATOM 0 HA PRO A 63 6.938 3.897 -4.148 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.562 4.886 -6.118 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.162 3.180 -6.132 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.051 5.400 -7.809 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.365 3.733 -8.248 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.846 4.781 -7.544 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.244 3.077 -7.627 1.00 0.00 H new ATOM 1013 N GLU A 64 6.174 6.722 -5.619 1.00 0.00 N ATOM 1014 CA GLU A 64 6.077 8.159 -5.376 1.00 0.00 C ATOM 1015 C GLU A 64 4.880 8.489 -4.491 1.00 0.00 C ATOM 1016 O GLU A 64 4.947 9.384 -3.646 1.00 0.00 O ATOM 1017 CB GLU A 64 5.969 8.919 -6.701 1.00 0.00 C ATOM 1018 CG GLU A 64 4.960 8.321 -7.670 1.00 0.00 C ATOM 1019 CD GLU A 64 3.952 9.341 -8.166 1.00 0.00 C ATOM 1020 OE1 GLU A 64 4.358 10.484 -8.459 1.00 0.00 O ATOM 1021 OE2 GLU A 64 2.756 8.994 -8.261 1.00 0.00 O ATOM 0 H GLU A 64 5.844 6.427 -6.538 1.00 0.00 H new ATOM 0 HA GLU A 64 6.984 8.470 -4.858 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.692 9.953 -6.495 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.949 8.940 -7.178 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.489 7.894 -8.522 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.432 7.503 -7.180 1.00 0.00 H new ATOM 1028 N VAL A 65 3.782 7.762 -4.688 1.00 0.00 N ATOM 1029 CA VAL A 65 2.571 7.980 -3.903 1.00 0.00 C ATOM 1030 C VAL A 65 2.875 7.944 -2.408 1.00 0.00 C ATOM 1031 O VAL A 65 2.164 8.548 -1.605 1.00 0.00 O ATOM 1032 CB VAL A 65 1.493 6.926 -4.230 1.00 0.00 C ATOM 1033 CG1 VAL A 65 0.237 7.166 -3.406 1.00 0.00 C ATOM 1034 CG2 VAL A 65 1.168 6.937 -5.716 1.00 0.00 C ATOM 0 H VAL A 65 3.707 7.019 -5.383 1.00 0.00 H new ATOM 0 HA VAL A 65 2.191 8.967 -4.168 1.00 0.00 H new ATOM 0 HB VAL A 65 1.887 5.943 -3.971 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.510 6.411 -3.653 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.480 7.103 -2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.161 8.156 -3.629 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.406 6.187 -5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.797 7.922 -6.000 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.068 6.710 -6.287 1.00 0.00 H new ATOM 1044 N LEU A 66 3.937 7.233 -2.044 1.00 0.00 N ATOM 1045 CA LEU A 66 4.339 7.119 -0.648 1.00 0.00 C ATOM 1046 C LEU A 66 5.181 8.320 -0.234 1.00 0.00 C ATOM 1047 O LEU A 66 5.097 8.792 0.899 1.00 0.00 O ATOM 1048 CB LEU A 66 5.129 5.829 -0.428 1.00 0.00 C ATOM 1049 CG LEU A 66 4.682 4.642 -1.285 1.00 0.00 C ATOM 1050 CD1 LEU A 66 5.411 3.372 -0.873 1.00 0.00 C ATOM 1051 CD2 LEU A 66 3.177 4.449 -1.185 1.00 0.00 C ATOM 0 H LEU A 66 4.535 6.727 -2.697 1.00 0.00 H new ATOM 0 HA LEU A 66 3.439 7.094 -0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.182 6.027 -0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.052 5.549 0.623 1.00 0.00 H new ATOM 0 HG LEU A 66 4.935 4.858 -2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.077 2.542 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.485 3.511 -1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.195 3.151 0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.877 3.601 -1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.903 4.259 -0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.671 5.349 -1.535 1.00 0.00 H new ATOM 1063 N LEU A 67 5.991 8.815 -1.167 1.00 0.00 N ATOM 1064 CA LEU A 67 6.852 9.965 -0.907 1.00 0.00 C ATOM 1065 C LEU A 67 6.053 11.119 -0.309 1.00 0.00 C ATOM 1066 O LEU A 67 6.520 11.807 0.597 1.00 0.00 O ATOM 1067 CB LEU A 67 7.535 10.420 -2.199 1.00 0.00 C ATOM 1068 CG LEU A 67 8.937 11.006 -2.021 1.00 0.00 C ATOM 1069 CD1 LEU A 67 8.934 12.084 -0.948 1.00 0.00 C ATOM 1070 CD2 LEU A 67 9.931 9.908 -1.674 1.00 0.00 C ATOM 0 H LEU A 67 6.069 8.437 -2.111 1.00 0.00 H new ATOM 0 HA LEU A 67 7.613 9.662 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.597 9.569 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.904 11.167 -2.681 1.00 0.00 H new ATOM 0 HG LEU A 67 9.242 11.462 -2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.940 12.489 -0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.251 12.883 -1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.608 11.654 -0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.924 10.341 -1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.629 9.424 -0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.954 9.171 -2.477 1.00 0.00 H new ATOM 1082 N GLN A 68 4.844 11.321 -0.824 1.00 0.00 N ATOM 1083 CA GLN A 68 3.977 12.389 -0.337 1.00 0.00 C ATOM 1084 C GLN A 68 3.432 12.058 1.050 1.00 0.00 C ATOM 1085 O GLN A 68 3.057 12.952 1.810 1.00 0.00 O ATOM 1086 CB GLN A 68 2.820 12.620 -1.311 1.00 0.00 C ATOM 1087 CG GLN A 68 3.271 12.952 -2.724 1.00 0.00 C ATOM 1088 CD GLN A 68 3.312 14.445 -2.987 1.00 0.00 C ATOM 1089 OE1 GLN A 68 3.939 15.200 -2.246 1.00 0.00 O ATOM 1090 NE2 GLN A 68 2.639 14.879 -4.047 1.00 0.00 N ATOM 0 H GLN A 68 4.443 10.761 -1.576 1.00 0.00 H new ATOM 0 HA GLN A 68 4.570 13.301 -0.266 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.195 11.727 -1.338 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.198 13.433 -0.937 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.261 12.529 -2.894 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.596 12.479 -3.437 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.132 14.218 -4.635 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.629 15.874 -4.273 1.00 0.00 H new ATOM 1099 N ILE A 69 3.394 10.768 1.376 1.00 0.00 N ATOM 1100 CA ILE A 69 2.896 10.319 2.670 1.00 0.00 C ATOM 1101 C ILE A 69 3.779 10.831 3.805 1.00 0.00 C ATOM 1102 O ILE A 69 4.988 10.996 3.638 1.00 0.00 O ATOM 1103 CB ILE A 69 2.826 8.779 2.738 1.00 0.00 C ATOM 1104 CG1 ILE A 69 2.010 8.233 1.565 1.00 0.00 C ATOM 1105 CG2 ILE A 69 2.231 8.325 4.063 1.00 0.00 C ATOM 1106 CD1 ILE A 69 0.550 8.625 1.605 1.00 0.00 C ATOM 0 H ILE A 69 3.703 10.016 0.760 1.00 0.00 H new ATOM 0 HA ILE A 69 1.891 10.726 2.785 1.00 0.00 H new ATOM 0 HB ILE A 69 3.840 8.384 2.669 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.447 8.590 0.632 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.085 7.146 1.557 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.191 7.236 4.090 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.852 8.685 4.883 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.223 8.728 4.166 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.036 8.202 0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.096 8.245 2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.464 9.711 1.582 1.00 0.00 H new ATOM 1118 N ASP A 70 3.167 11.084 4.957 1.00 0.00 N ATOM 1119 CA ASP A 70 3.898 11.580 6.119 1.00 0.00 C ATOM 1120 C ASP A 70 4.797 10.494 6.702 1.00 0.00 C ATOM 1121 O ASP A 70 4.351 9.377 6.959 1.00 0.00 O ATOM 1122 CB ASP A 70 2.921 12.078 7.185 1.00 0.00 C ATOM 1123 CG ASP A 70 3.352 13.399 7.792 1.00 0.00 C ATOM 1124 OD1 ASP A 70 4.217 13.384 8.692 1.00 0.00 O ATOM 1125 OD2 ASP A 70 2.824 14.449 7.365 1.00 0.00 O ATOM 0 H ASP A 70 2.167 10.954 5.112 1.00 0.00 H new ATOM 0 HA ASP A 70 4.527 12.410 5.796 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.931 12.190 6.743 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.835 11.330 7.973 1.00 0.00 H new ATOM 1130 N GLY A 71 6.066 10.833 6.909 1.00 0.00 N ATOM 1131 CA GLY A 71 7.007 9.877 7.462 1.00 0.00 C ATOM 1132 C GLY A 71 7.869 9.227 6.398 1.00 0.00 C ATOM 1133 O GLY A 71 9.042 8.935 6.634 1.00 0.00 O ATOM 0 H GLY A 71 6.459 11.752 6.704 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.648 10.380 8.186 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.460 9.105 8.003 1.00 0.00 H new ATOM 1137 N VAL A 72 7.288 8.998 5.225 1.00 0.00 N ATOM 1138 CA VAL A 72 8.011 8.377 4.122 1.00 0.00 C ATOM 1139 C VAL A 72 8.871 9.397 3.384 1.00 0.00 C ATOM 1140 O VAL A 72 8.394 10.465 2.998 1.00 0.00 O ATOM 1141 CB VAL A 72 7.047 7.717 3.117 1.00 0.00 C ATOM 1142 CG1 VAL A 72 7.817 6.891 2.098 1.00 0.00 C ATOM 1143 CG2 VAL A 72 6.023 6.860 3.845 1.00 0.00 C ATOM 0 H VAL A 72 6.318 9.233 5.014 1.00 0.00 H new ATOM 0 HA VAL A 72 8.652 7.611 4.558 1.00 0.00 H new ATOM 0 HB VAL A 72 6.515 8.504 2.582 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.118 6.433 1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.507 7.536 1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.379 6.111 2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.351 6.402 3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.536 6.080 4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.448 7.483 4.530 1.00 0.00 H new ATOM 1153 N THR A 73 10.142 9.061 3.189 1.00 0.00 N ATOM 1154 CA THR A 73 11.071 9.946 2.495 1.00 0.00 C ATOM 1155 C THR A 73 11.633 9.273 1.248 1.00 0.00 C ATOM 1156 O THR A 73 11.244 8.157 0.903 1.00 0.00 O ATOM 1157 CB THR A 73 12.212 10.357 3.428 1.00 0.00 C ATOM 1158 OG1 THR A 73 12.447 9.357 4.402 1.00 0.00 O ATOM 1159 CG2 THR A 73 11.948 11.655 4.159 1.00 0.00 C ATOM 0 H THR A 73 10.553 8.181 3.502 1.00 0.00 H new ATOM 0 HA THR A 73 10.525 10.838 2.189 1.00 0.00 H new ATOM 0 HB THR A 73 13.080 10.492 2.782 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.410 9.193 4.476 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.796 11.889 4.803 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.810 12.458 3.435 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.048 11.554 4.766 1.00 0.00 H new ATOM 1167 N GLU A 74 12.551 9.958 0.575 1.00 0.00 N ATOM 1168 CA GLU A 74 13.168 9.427 -0.634 1.00 0.00 C ATOM 1169 C GLU A 74 14.073 8.242 -0.312 1.00 0.00 C ATOM 1170 O GLU A 74 14.270 7.355 -1.142 1.00 0.00 O ATOM 1171 CB GLU A 74 13.968 10.519 -1.345 1.00 0.00 C ATOM 1172 CG GLU A 74 13.799 10.512 -2.856 1.00 0.00 C ATOM 1173 CD GLU A 74 15.002 9.933 -3.574 1.00 0.00 C ATOM 1174 OE1 GLU A 74 15.127 8.691 -3.615 1.00 0.00 O ATOM 1175 OE2 GLU A 74 15.817 10.720 -4.099 1.00 0.00 O ATOM 0 H GLU A 74 12.884 10.883 0.847 1.00 0.00 H new ATOM 0 HA GLU A 74 12.373 9.081 -1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.663 11.491 -0.958 1.00 0.00 H new ATOM 0 HB3 GLU A 74 15.024 10.398 -1.105 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.912 9.934 -3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.629 11.531 -3.204 1.00 0.00 H new ATOM 1182 N ASP A 75 14.624 8.234 0.898 1.00 0.00 N ATOM 1183 CA ASP A 75 15.511 7.159 1.328 1.00 0.00 C ATOM 1184 C ASP A 75 14.714 5.947 1.801 1.00 0.00 C ATOM 1185 O ASP A 75 15.002 4.814 1.418 1.00 0.00 O ATOM 1186 CB ASP A 75 16.432 7.646 2.449 1.00 0.00 C ATOM 1187 CG ASP A 75 15.664 8.297 3.583 1.00 0.00 C ATOM 1188 OD1 ASP A 75 15.158 9.422 3.387 1.00 0.00 O ATOM 1189 OD2 ASP A 75 15.571 7.683 4.666 1.00 0.00 O ATOM 0 H ASP A 75 14.472 8.960 1.598 1.00 0.00 H new ATOM 0 HA ASP A 75 16.116 6.860 0.472 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.005 6.804 2.837 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.149 8.359 2.043 1.00 0.00 H new ATOM 1194 N LYS A 76 13.710 6.195 2.638 1.00 0.00 N ATOM 1195 CA LYS A 76 12.871 5.125 3.166 1.00 0.00 C ATOM 1196 C LYS A 76 12.211 4.338 2.036 1.00 0.00 C ATOM 1197 O LYS A 76 11.978 3.136 2.157 1.00 0.00 O ATOM 1198 CB LYS A 76 11.800 5.699 4.094 1.00 0.00 C ATOM 1199 CG LYS A 76 12.364 6.553 5.218 1.00 0.00 C ATOM 1200 CD LYS A 76 12.382 5.797 6.538 1.00 0.00 C ATOM 1201 CE LYS A 76 12.158 6.730 7.719 1.00 0.00 C ATOM 1202 NZ LYS A 76 13.432 7.066 8.410 1.00 0.00 N ATOM 0 H LYS A 76 13.458 7.128 2.965 1.00 0.00 H new ATOM 0 HA LYS A 76 13.509 4.446 3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.105 6.299 3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.227 4.878 4.525 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.376 6.868 4.964 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.766 7.458 5.324 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.609 5.028 6.529 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.338 5.286 6.653 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.680 7.646 7.372 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.474 6.262 8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.236 7.703 9.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.876 6.194 8.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.076 7.536 7.742 1.00 0.00 H new ATOM 1216 N LEU A 77 11.910 5.027 0.939 1.00 0.00 N ATOM 1217 CA LEU A 77 11.275 4.394 -0.211 1.00 0.00 C ATOM 1218 C LEU A 77 12.309 3.747 -1.132 1.00 0.00 C ATOM 1219 O LEU A 77 11.962 2.959 -2.010 1.00 0.00 O ATOM 1220 CB LEU A 77 10.453 5.424 -0.990 1.00 0.00 C ATOM 1221 CG LEU A 77 9.193 4.879 -1.670 1.00 0.00 C ATOM 1222 CD1 LEU A 77 9.566 3.944 -2.810 1.00 0.00 C ATOM 1223 CD2 LEU A 77 8.297 4.168 -0.661 1.00 0.00 C ATOM 0 H LEU A 77 12.096 6.023 0.823 1.00 0.00 H new ATOM 0 HA LEU A 77 10.615 3.610 0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.161 6.222 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.091 5.873 -1.751 1.00 0.00 H new ATOM 0 HG LEU A 77 8.636 5.720 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.659 3.566 -3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.159 4.486 -3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.147 3.109 -2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.409 3.789 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.842 3.337 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.000 4.869 0.119 1.00 0.00 H new ATOM 1235 N GLU A 78 13.580 4.081 -0.929 1.00 0.00 N ATOM 1236 CA GLU A 78 14.649 3.523 -1.749 1.00 0.00 C ATOM 1237 C GLU A 78 15.180 2.228 -1.141 1.00 0.00 C ATOM 1238 O GLU A 78 15.633 1.334 -1.857 1.00 0.00 O ATOM 1239 CB GLU A 78 15.785 4.537 -1.899 1.00 0.00 C ATOM 1240 CG GLU A 78 16.249 4.722 -3.336 1.00 0.00 C ATOM 1241 CD GLU A 78 17.754 4.858 -3.449 1.00 0.00 C ATOM 1242 OE1 GLU A 78 18.320 5.762 -2.798 1.00 0.00 O ATOM 1243 OE2 GLU A 78 18.369 4.061 -4.189 1.00 0.00 O ATOM 0 H GLU A 78 13.893 4.731 -0.208 1.00 0.00 H new ATOM 0 HA GLU A 78 14.241 3.298 -2.734 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.457 5.499 -1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.631 4.215 -1.291 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.919 3.872 -3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.775 5.609 -3.756 1.00 0.00 H new ATOM 1250 N LYS A 79 15.131 2.138 0.184 1.00 0.00 N ATOM 1251 CA LYS A 79 15.615 0.956 0.888 1.00 0.00 C ATOM 1252 C LYS A 79 14.475 -0.007 1.216 1.00 0.00 C ATOM 1253 O LYS A 79 14.637 -1.224 1.125 1.00 0.00 O ATOM 1254 CB LYS A 79 16.333 1.367 2.175 1.00 0.00 C ATOM 1255 CG LYS A 79 15.423 2.032 3.195 1.00 0.00 C ATOM 1256 CD LYS A 79 16.197 2.973 4.103 1.00 0.00 C ATOM 1257 CE LYS A 79 17.138 2.211 5.022 1.00 0.00 C ATOM 1258 NZ LYS A 79 17.870 3.121 5.948 1.00 0.00 N ATOM 0 H LYS A 79 14.761 2.869 0.792 1.00 0.00 H new ATOM 0 HA LYS A 79 16.314 0.440 0.230 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.786 0.484 2.626 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.145 2.050 1.926 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.639 2.586 2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 79 14.930 1.268 3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.768 3.677 3.498 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.499 3.560 4.700 1.00 0.00 H new ATOM 0 HE2 LYS A 79 16.569 1.484 5.602 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.855 1.650 4.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.501 2.562 6.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.433 3.799 5.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 17.187 3.638 6.538 1.00 0.00 H new ATOM 1272 N TYR A 80 13.330 0.541 1.610 1.00 0.00 N ATOM 1273 CA TYR A 80 12.175 -0.279 1.965 1.00 0.00 C ATOM 1274 C TYR A 80 11.208 -0.433 0.792 1.00 0.00 C ATOM 1275 O TYR A 80 10.491 -1.427 0.700 1.00 0.00 O ATOM 1276 CB TYR A 80 11.442 0.328 3.163 1.00 0.00 C ATOM 1277 CG TYR A 80 12.343 0.614 4.344 1.00 0.00 C ATOM 1278 CD1 TYR A 80 13.098 -0.397 4.927 1.00 0.00 C ATOM 1279 CD2 TYR A 80 12.436 1.893 4.876 1.00 0.00 C ATOM 1280 CE1 TYR A 80 13.920 -0.140 6.008 1.00 0.00 C ATOM 1281 CE2 TYR A 80 13.257 2.159 5.957 1.00 0.00 C ATOM 1282 CZ TYR A 80 13.996 1.139 6.517 1.00 0.00 C ATOM 1283 OH TYR A 80 14.815 1.398 7.594 1.00 0.00 O ATOM 0 H TYR A 80 13.176 1.546 1.692 1.00 0.00 H new ATOM 0 HA TYR A 80 12.546 -1.270 2.228 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.960 1.255 2.852 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.651 -0.353 3.477 1.00 0.00 H new ATOM 0 HD1 TYR A 80 13.041 -1.399 4.529 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.858 2.693 4.439 1.00 0.00 H new ATOM 0 HE1 TYR A 80 14.499 -0.936 6.451 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.319 3.159 6.360 1.00 0.00 H new ATOM 0 HH TYR A 80 14.755 2.347 7.829 1.00 0.00 H new ATOM 1293 N GLY A 81 11.189 0.557 -0.097 1.00 0.00 N ATOM 1294 CA GLY A 81 10.299 0.509 -1.246 1.00 0.00 C ATOM 1295 C GLY A 81 10.324 -0.828 -1.966 1.00 0.00 C ATOM 1296 O GLY A 81 9.337 -1.225 -2.584 1.00 0.00 O ATOM 0 H GLY A 81 11.773 1.391 -0.043 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.281 0.719 -0.918 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.577 1.297 -1.946 1.00 0.00 H new ATOM 1300 N ALA A 82 11.453 -1.520 -1.888 1.00 0.00 N ATOM 1301 CA ALA A 82 11.597 -2.817 -2.537 1.00 0.00 C ATOM 1302 C ALA A 82 10.843 -3.903 -1.775 1.00 0.00 C ATOM 1303 O ALA A 82 10.415 -4.900 -2.358 1.00 0.00 O ATOM 1304 CB ALA A 82 13.068 -3.184 -2.666 1.00 0.00 C ATOM 0 H ALA A 82 12.281 -1.206 -1.383 1.00 0.00 H new ATOM 0 HA ALA A 82 11.163 -2.744 -3.534 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.159 -4.155 -3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.580 -2.429 -3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.520 -3.231 -1.675 1.00 0.00 H new ATOM 1310 N GLU A 83 10.685 -3.704 -0.470 1.00 0.00 N ATOM 1311 CA GLU A 83 9.986 -4.668 0.370 1.00 0.00 C ATOM 1312 C GLU A 83 8.522 -4.274 0.561 1.00 0.00 C ATOM 1313 O GLU A 83 7.618 -5.049 0.247 1.00 0.00 O ATOM 1314 CB GLU A 83 10.681 -4.792 1.728 1.00 0.00 C ATOM 1315 CG GLU A 83 11.424 -6.106 1.909 1.00 0.00 C ATOM 1316 CD GLU A 83 10.839 -6.960 3.017 1.00 0.00 C ATOM 1317 OE1 GLU A 83 9.741 -7.523 2.815 1.00 0.00 O ATOM 1318 OE2 GLU A 83 11.477 -7.065 4.086 1.00 0.00 O ATOM 0 H GLU A 83 11.032 -2.884 0.028 1.00 0.00 H new ATOM 0 HA GLU A 83 10.014 -5.635 -0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.384 -3.967 1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.937 -4.692 2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.399 -6.665 0.973 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.471 -5.899 2.129 1.00 0.00 H new ATOM 1325 N VAL A 84 8.294 -3.068 1.079 1.00 0.00 N ATOM 1326 CA VAL A 84 6.932 -2.582 1.306 1.00 0.00 C ATOM 1327 C VAL A 84 6.056 -2.810 0.078 1.00 0.00 C ATOM 1328 O VAL A 84 5.028 -3.484 0.153 1.00 0.00 O ATOM 1329 CB VAL A 84 6.895 -1.082 1.674 1.00 0.00 C ATOM 1330 CG1 VAL A 84 7.004 -0.896 3.180 1.00 0.00 C ATOM 1331 CG2 VAL A 84 7.988 -0.307 0.953 1.00 0.00 C ATOM 0 H VAL A 84 9.028 -2.413 1.348 1.00 0.00 H new ATOM 0 HA VAL A 84 6.544 -3.154 2.149 1.00 0.00 H new ATOM 0 HB VAL A 84 5.935 -0.682 1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.976 0.167 3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.171 -1.400 3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.943 -1.322 3.532 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.934 0.745 1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.963 -0.708 1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.851 -0.402 -0.124 1.00 0.00 H new ATOM 1341 N ILE A 85 6.472 -2.249 -1.055 1.00 0.00 N ATOM 1342 CA ILE A 85 5.728 -2.394 -2.300 1.00 0.00 C ATOM 1343 C ILE A 85 5.509 -3.865 -2.642 1.00 0.00 C ATOM 1344 O ILE A 85 4.562 -4.211 -3.343 1.00 0.00 O ATOM 1345 CB ILE A 85 6.449 -1.702 -3.474 1.00 0.00 C ATOM 1346 CG1 ILE A 85 6.729 -0.236 -3.132 1.00 0.00 C ATOM 1347 CG2 ILE A 85 5.618 -1.808 -4.745 1.00 0.00 C ATOM 1348 CD1 ILE A 85 7.330 0.549 -4.279 1.00 0.00 C ATOM 0 H ILE A 85 7.321 -1.690 -1.135 1.00 0.00 H new ATOM 0 HA ILE A 85 4.762 -1.913 -2.148 1.00 0.00 H new ATOM 0 HB ILE A 85 7.401 -2.205 -3.646 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.798 0.241 -2.824 1.00 0.00 H new ATOM 0 HG13 ILE A 85 7.406 -0.193 -2.279 1.00 0.00 H new ATOM 0 HG21 ILE A 85 6.141 -1.314 -5.564 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.465 -2.858 -4.993 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.652 -1.327 -4.589 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.502 1.579 -3.965 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.277 0.097 -4.573 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.644 0.538 -5.126 1.00 0.00 H new ATOM 1360 N SER A 86 6.386 -4.727 -2.139 1.00 0.00 N ATOM 1361 CA SER A 86 6.271 -6.158 -2.391 1.00 0.00 C ATOM 1362 C SER A 86 4.955 -6.689 -1.835 1.00 0.00 C ATOM 1363 O SER A 86 4.351 -7.602 -2.398 1.00 0.00 O ATOM 1364 CB SER A 86 7.447 -6.907 -1.760 1.00 0.00 C ATOM 1365 OG SER A 86 7.644 -8.166 -2.381 1.00 0.00 O ATOM 0 H SER A 86 7.181 -4.461 -1.557 1.00 0.00 H new ATOM 0 HA SER A 86 6.289 -6.321 -3.469 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.353 -6.308 -1.850 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.262 -7.048 -0.695 1.00 0.00 H new ATOM 0 HG SER A 86 8.402 -8.623 -1.960 1.00 0.00 H new ATOM 1371 N VAL A 87 4.516 -6.102 -0.726 1.00 0.00 N ATOM 1372 CA VAL A 87 3.268 -6.502 -0.085 1.00 0.00 C ATOM 1373 C VAL A 87 2.087 -5.693 -0.616 1.00 0.00 C ATOM 1374 O VAL A 87 0.934 -6.100 -0.476 1.00 0.00 O ATOM 1375 CB VAL A 87 3.342 -6.326 1.444 1.00 0.00 C ATOM 1376 CG1 VAL A 87 2.153 -6.996 2.116 1.00 0.00 C ATOM 1377 CG2 VAL A 87 4.651 -6.884 1.985 1.00 0.00 C ATOM 0 H VAL A 87 5.008 -5.345 -0.251 1.00 0.00 H new ATOM 0 HA VAL A 87 3.119 -7.556 -0.320 1.00 0.00 H new ATOM 0 HB VAL A 87 3.307 -5.260 1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.222 -6.862 3.195 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.229 -6.547 1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.155 -8.061 1.882 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.684 -6.750 3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.719 -7.946 1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.488 -6.356 1.528 1.00 0.00 H new ATOM 1387 N LEU A 88 2.378 -4.541 -1.215 1.00 0.00 N ATOM 1388 CA LEU A 88 1.333 -3.675 -1.752 1.00 0.00 C ATOM 1389 C LEU A 88 0.938 -4.074 -3.173 1.00 0.00 C ATOM 1390 O LEU A 88 -0.133 -3.700 -3.651 1.00 0.00 O ATOM 1391 CB LEU A 88 1.792 -2.215 -1.731 1.00 0.00 C ATOM 1392 CG LEU A 88 1.785 -1.553 -0.347 1.00 0.00 C ATOM 1393 CD1 LEU A 88 3.179 -1.076 0.031 1.00 0.00 C ATOM 1394 CD2 LEU A 88 0.796 -0.393 -0.308 1.00 0.00 C ATOM 0 H LEU A 88 3.326 -4.187 -1.340 1.00 0.00 H new ATOM 0 HA LEU A 88 0.455 -3.790 -1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.802 -2.161 -2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.149 -1.638 -2.396 1.00 0.00 H new ATOM 0 HG LEU A 88 1.469 -2.299 0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.149 -0.610 1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.861 -1.926 0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.527 -0.350 -0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.807 0.062 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.079 0.351 -1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.206 -0.762 -0.526 1.00 0.00 H new ATOM 1406 N GLN A 89 1.803 -4.824 -3.845 1.00 0.00 N ATOM 1407 CA GLN A 89 1.537 -5.262 -5.212 1.00 0.00 C ATOM 1408 C GLN A 89 0.160 -5.915 -5.326 1.00 0.00 C ATOM 1409 O GLN A 89 -0.477 -5.865 -6.379 1.00 0.00 O ATOM 1410 CB GLN A 89 2.618 -6.240 -5.676 1.00 0.00 C ATOM 1411 CG GLN A 89 2.992 -6.086 -7.140 1.00 0.00 C ATOM 1412 CD GLN A 89 3.803 -7.257 -7.661 1.00 0.00 C ATOM 1413 OE1 GLN A 89 5.016 -7.156 -7.842 1.00 0.00 O ATOM 1414 NE2 GLN A 89 3.133 -8.378 -7.905 1.00 0.00 N ATOM 0 H GLN A 89 2.695 -5.142 -3.467 1.00 0.00 H new ATOM 0 HA GLN A 89 1.551 -4.381 -5.854 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.510 -6.099 -5.065 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.272 -7.259 -5.504 1.00 0.00 H new ATOM 0 HG2 GLN A 89 2.084 -5.985 -7.734 1.00 0.00 H new ATOM 0 HG3 GLN A 89 3.563 -5.167 -7.271 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.127 -8.417 -7.740 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.625 -9.200 -8.257 1.00 0.00 H new ATOM 1423 N LYS A 90 -0.291 -6.526 -4.235 1.00 0.00 N ATOM 1424 CA LYS A 90 -1.589 -7.192 -4.213 1.00 0.00 C ATOM 1425 C LYS A 90 -2.728 -6.176 -4.243 1.00 0.00 C ATOM 1426 O LYS A 90 -3.791 -6.439 -4.806 1.00 0.00 O ATOM 1427 CB LYS A 90 -1.712 -8.073 -2.968 1.00 0.00 C ATOM 1428 CG LYS A 90 -0.458 -8.881 -2.667 1.00 0.00 C ATOM 1429 CD LYS A 90 -0.737 -9.994 -1.669 1.00 0.00 C ATOM 1430 CE LYS A 90 -0.179 -9.663 -0.294 1.00 0.00 C ATOM 1431 NZ LYS A 90 1.237 -10.097 -0.149 1.00 0.00 N ATOM 0 H LYS A 90 0.223 -6.574 -3.355 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.661 -7.816 -5.103 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.943 -7.443 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.552 -8.756 -3.098 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.069 -9.309 -3.591 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.314 -8.222 -2.271 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.812 -10.158 -1.597 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.296 -10.924 -2.027 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.248 -8.589 -0.123 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.787 -10.147 0.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.579 -9.853 0.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.301 -11.126 -0.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.822 -9.616 -0.861 1.00 0.00 H new ATOM 1445 N TYR A 91 -2.501 -5.017 -3.634 1.00 0.00 N ATOM 1446 CA TYR A 91 -3.511 -3.966 -3.590 1.00 0.00 C ATOM 1447 C TYR A 91 -3.784 -3.410 -4.983 1.00 0.00 C ATOM 1448 O TYR A 91 -4.932 -3.357 -5.426 1.00 0.00 O ATOM 1449 CB TYR A 91 -3.065 -2.838 -2.658 1.00 0.00 C ATOM 1450 CG TYR A 91 -2.533 -3.323 -1.326 1.00 0.00 C ATOM 1451 CD1 TYR A 91 -2.981 -4.514 -0.764 1.00 0.00 C ATOM 1452 CD2 TYR A 91 -1.576 -2.592 -0.633 1.00 0.00 C ATOM 1453 CE1 TYR A 91 -2.487 -4.960 0.446 1.00 0.00 C ATOM 1454 CE2 TYR A 91 -1.081 -3.033 0.579 1.00 0.00 C ATOM 1455 CZ TYR A 91 -1.539 -4.217 1.114 1.00 0.00 C ATOM 1456 OH TYR A 91 -1.039 -4.663 2.317 1.00 0.00 O ATOM 0 H TYR A 91 -1.627 -4.782 -3.164 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.433 -4.403 -3.207 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.293 -2.251 -3.156 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.908 -2.170 -2.481 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.727 -5.099 -1.282 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.213 -1.664 -1.049 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -2.843 -5.889 0.867 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.338 -2.452 1.105 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.949 -5.639 2.293 1.00 0.00 H new ATOM 1466 N SER A 92 -2.725 -2.996 -5.670 1.00 0.00 N ATOM 1467 CA SER A 92 -2.854 -2.443 -7.013 1.00 0.00 C ATOM 1468 C SER A 92 -3.559 -3.423 -7.945 1.00 0.00 C ATOM 1469 O SER A 92 -4.212 -3.019 -8.909 1.00 0.00 O ATOM 1470 CB SER A 92 -1.476 -2.089 -7.575 1.00 0.00 C ATOM 1471 OG SER A 92 -1.071 -0.795 -7.161 1.00 0.00 O ATOM 0 H SER A 92 -1.768 -3.033 -5.319 1.00 0.00 H new ATOM 0 HA SER A 92 -3.458 -1.538 -6.947 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.745 -2.826 -7.243 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.502 -2.134 -8.664 1.00 0.00 H new ATOM 0 HG SER A 92 -0.187 -0.595 -7.533 1.00 0.00 H new ATOM 1477 N GLU A 93 -3.425 -4.712 -7.655 1.00 0.00 N ATOM 1478 CA GLU A 93 -4.050 -5.749 -8.470 1.00 0.00 C ATOM 1479 C GLU A 93 -5.559 -5.787 -8.246 1.00 0.00 C ATOM 1480 O GLU A 93 -6.319 -6.175 -9.135 1.00 0.00 O ATOM 1481 CB GLU A 93 -3.442 -7.115 -8.150 1.00 0.00 C ATOM 1482 CG GLU A 93 -2.208 -7.441 -8.978 1.00 0.00 C ATOM 1483 CD GLU A 93 -2.286 -8.806 -9.632 1.00 0.00 C ATOM 1484 OE1 GLU A 93 -3.043 -9.664 -9.128 1.00 0.00 O ATOM 1485 OE2 GLU A 93 -1.592 -9.018 -10.648 1.00 0.00 O ATOM 0 H GLU A 93 -2.889 -5.065 -6.862 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.863 -5.511 -9.517 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.179 -7.148 -7.093 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.194 -7.886 -8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.081 -6.680 -9.748 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.326 -7.398 -8.340 1.00 0.00 H new