USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 413 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 30 SER OG : rot 111:sc= 0.0096 USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -14.6! C(o=-15!,f=-19!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -2.59! C(o=-2.6!,f=-4.8!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -101:sc= 0.208 USER MOD Single : A 47 THR OG1 : rot 151:sc= 1.17 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -6.32! C(o=-6.3!,f=-9.9!) USER MOD Single : A 54 CYS SG : rot 110:sc= -2.36! USER MOD Single : A 57 LYS NZ :NH3+ 150:sc= -0.0383 (180deg=-0.625) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 239 N TYR A 18 -0.200 -9.431 2.178 1.00 0.00 N ATOM 240 CA TYR A 18 0.306 -8.209 2.870 1.00 0.00 C ATOM 241 C TYR A 18 1.742 -7.943 2.419 1.00 0.00 C ATOM 242 O TYR A 18 2.592 -8.809 2.486 1.00 0.00 O ATOM 243 CB TYR A 18 0.263 -8.522 4.363 1.00 0.00 C ATOM 244 CG TYR A 18 -1.062 -8.093 4.964 1.00 0.00 C ATOM 245 CD1 TYR A 18 -2.071 -7.540 4.159 1.00 0.00 C ATOM 246 CD2 TYR A 18 -1.279 -8.247 6.340 1.00 0.00 C ATOM 247 CE1 TYR A 18 -3.287 -7.146 4.728 1.00 0.00 C ATOM 248 CE2 TYR A 18 -2.494 -7.851 6.909 1.00 0.00 C ATOM 249 CZ TYR A 18 -3.498 -7.301 6.104 1.00 0.00 C ATOM 250 OH TYR A 18 -4.697 -6.910 6.666 1.00 0.00 O ATOM 0 HA TYR A 18 -0.289 -7.325 2.641 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.410 -9.591 4.520 1.00 0.00 H new ATOM 0 HB3 TYR A 18 1.081 -8.010 4.870 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.908 -7.419 3.098 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.506 -8.673 6.963 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.062 -6.723 4.107 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.657 -7.970 7.970 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.680 -7.087 7.630 1.00 0.00 H new ATOM 260 N GLN A 19 2.023 -6.760 1.954 1.00 0.00 N ATOM 261 CA GLN A 19 3.405 -6.455 1.494 1.00 0.00 C ATOM 262 C GLN A 19 4.428 -6.971 2.510 1.00 0.00 C ATOM 263 O GLN A 19 4.351 -6.683 3.688 1.00 0.00 O ATOM 264 CB GLN A 19 3.463 -4.927 1.376 1.00 0.00 C ATOM 265 CG GLN A 19 4.878 -4.426 1.658 1.00 0.00 C ATOM 266 CD GLN A 19 5.716 -4.533 0.386 1.00 0.00 C ATOM 267 OE1 GLN A 19 6.343 -3.576 -0.025 1.00 0.00 O ATOM 268 NE2 GLN A 19 5.757 -5.664 -0.256 1.00 0.00 N ATOM 0 H GLN A 19 1.357 -5.992 1.872 1.00 0.00 H new ATOM 0 HA GLN A 19 3.641 -6.936 0.545 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.154 -4.621 0.377 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.763 -4.475 2.079 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.848 -3.392 2.001 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.332 -5.014 2.456 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.230 -6.466 0.090 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.316 -5.748 -1.105 1.00 0.00 H new ATOM 277 N LYS A 20 5.391 -7.722 2.054 1.00 0.00 N ATOM 278 CA LYS A 20 6.433 -8.250 2.982 1.00 0.00 C ATOM 279 C LYS A 20 7.649 -7.325 2.961 1.00 0.00 C ATOM 280 O LYS A 20 8.243 -7.033 3.979 1.00 0.00 O ATOM 281 CB LYS A 20 6.797 -9.630 2.432 1.00 0.00 C ATOM 282 CG LYS A 20 5.781 -10.662 2.924 1.00 0.00 C ATOM 283 CD LYS A 20 5.132 -11.351 1.724 1.00 0.00 C ATOM 284 CE LYS A 20 3.713 -11.790 2.093 1.00 0.00 C ATOM 285 NZ LYS A 20 3.346 -12.805 1.068 1.00 0.00 N ATOM 0 H LYS A 20 5.503 -7.994 1.077 1.00 0.00 H new ATOM 0 HA LYS A 20 6.085 -8.309 4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.809 -9.607 1.342 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.800 -9.909 2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.274 -11.400 3.558 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.019 -10.176 3.534 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.104 -10.671 0.872 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.725 -12.215 1.423 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.679 -12.213 3.097 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.022 -10.947 2.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.384 -13.154 1.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.381 -12.372 0.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.017 -13.599 1.110 1.00 0.00 H new ATOM 299 N ARG A 21 8.013 -6.854 1.800 1.00 0.00 N ATOM 300 CA ARG A 21 9.180 -5.935 1.696 1.00 0.00 C ATOM 301 C ARG A 21 8.747 -4.513 2.037 1.00 0.00 C ATOM 302 O ARG A 21 7.585 -4.177 1.949 1.00 0.00 O ATOM 303 CB ARG A 21 9.626 -6.026 0.236 1.00 0.00 C ATOM 304 CG ARG A 21 9.947 -7.483 -0.106 1.00 0.00 C ATOM 305 CD ARG A 21 11.459 -7.649 -0.275 1.00 0.00 C ATOM 306 NE ARG A 21 11.623 -8.413 -1.543 1.00 0.00 N ATOM 307 CZ ARG A 21 11.112 -7.955 -2.654 1.00 0.00 C ATOM 308 NH1 ARG A 21 10.776 -6.696 -2.745 1.00 0.00 N ATOM 309 NH2 ARG A 21 10.937 -8.753 -3.671 1.00 0.00 N ATOM 0 H ARG A 21 7.550 -7.067 0.916 1.00 0.00 H new ATOM 0 HA ARG A 21 9.985 -6.200 2.382 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.840 -5.651 -0.420 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.503 -5.400 0.072 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.585 -8.141 0.684 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.434 -7.773 -1.023 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.959 -6.682 -0.329 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.894 -8.186 0.568 1.00 0.00 H new ATOM 0 HE ARG A 21 12.135 -9.295 -1.544 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.913 -6.073 -1.949 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.377 -6.336 -3.612 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.199 -9.736 -3.599 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.538 -8.394 -4.538 1.00 0.00 H new ATOM 323 N PRO A 22 9.704 -3.726 2.418 1.00 0.00 N ATOM 324 CA PRO A 22 9.427 -2.320 2.778 1.00 0.00 C ATOM 325 C PRO A 22 9.047 -1.514 1.543 1.00 0.00 C ATOM 326 O PRO A 22 9.627 -1.651 0.485 1.00 0.00 O ATOM 327 CB PRO A 22 10.737 -1.837 3.376 1.00 0.00 C ATOM 328 CG PRO A 22 11.782 -2.742 2.799 1.00 0.00 C ATOM 329 CD PRO A 22 11.121 -4.067 2.546 1.00 0.00 C ATOM 0 HA PRO A 22 8.591 -2.211 3.469 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.929 -0.796 3.117 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.720 -1.897 4.464 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.183 -2.328 1.874 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.619 -2.854 3.488 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.503 -4.539 1.641 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.293 -4.764 3.366 1.00 0.00 H new ATOM 337 N LEU A 23 8.062 -0.680 1.677 1.00 0.00 N ATOM 338 CA LEU A 23 7.612 0.141 0.524 1.00 0.00 C ATOM 339 C LEU A 23 7.474 1.613 0.916 1.00 0.00 C ATOM 340 O LEU A 23 6.854 1.940 1.907 1.00 0.00 O ATOM 341 CB LEU A 23 6.258 -0.435 0.144 1.00 0.00 C ATOM 342 CG LEU A 23 6.407 -1.204 -1.158 1.00 0.00 C ATOM 343 CD1 LEU A 23 5.091 -1.907 -1.498 1.00 0.00 C ATOM 344 CD2 LEU A 23 6.771 -0.223 -2.275 1.00 0.00 C ATOM 0 H LEU A 23 7.544 -0.529 2.543 1.00 0.00 H new ATOM 0 HA LEU A 23 8.326 0.109 -0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.892 -1.093 0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.525 0.364 0.030 1.00 0.00 H new ATOM 0 HG LEU A 23 7.192 -1.953 -1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.203 -2.457 -2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.831 -2.600 -0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.300 -1.165 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.880 -0.765 -3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.982 0.522 -2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.710 0.274 -2.031 1.00 0.00 H new ATOM 356 N PRO A 24 8.057 2.450 0.107 1.00 0.00 N ATOM 357 CA PRO A 24 8.008 3.903 0.342 1.00 0.00 C ATOM 358 C PRO A 24 6.753 4.502 -0.301 1.00 0.00 C ATOM 359 O PRO A 24 6.058 3.854 -1.059 1.00 0.00 O ATOM 360 CB PRO A 24 9.263 4.411 -0.357 1.00 0.00 C ATOM 361 CG PRO A 24 9.580 3.392 -1.415 1.00 0.00 C ATOM 362 CD PRO A 24 8.822 2.123 -1.094 1.00 0.00 C ATOM 0 HA PRO A 24 7.970 4.170 1.398 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.095 5.394 -0.798 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.089 4.514 0.347 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.296 3.765 -2.399 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.652 3.197 -1.445 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.167 1.833 -1.916 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.501 1.289 -0.918 1.00 0.00 H new ATOM 370 N GLN A 25 6.464 5.735 -0.002 1.00 0.00 N ATOM 371 CA GLN A 25 5.263 6.392 -0.586 1.00 0.00 C ATOM 372 C GLN A 25 5.646 7.181 -1.842 1.00 0.00 C ATOM 373 O GLN A 25 4.869 7.307 -2.767 1.00 0.00 O ATOM 374 CB GLN A 25 4.770 7.337 0.507 1.00 0.00 C ATOM 375 CG GLN A 25 3.879 8.420 -0.108 1.00 0.00 C ATOM 376 CD GLN A 25 4.749 9.583 -0.588 1.00 0.00 C ATOM 377 OE1 GLN A 25 5.762 9.887 0.011 1.00 0.00 O ATOM 378 NE2 GLN A 25 4.395 10.251 -1.651 1.00 0.00 N ATOM 0 H GLN A 25 7.012 6.321 0.627 1.00 0.00 H new ATOM 0 HA GLN A 25 4.501 5.673 -0.886 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.213 6.779 1.259 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.619 7.796 1.014 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.311 8.008 -0.942 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.156 8.772 0.628 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.545 9.996 -2.154 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.968 11.028 -1.979 1.00 0.00 H new ATOM 387 N VAL A 26 6.837 7.714 -1.878 1.00 0.00 N ATOM 388 CA VAL A 26 7.269 8.493 -3.067 1.00 0.00 C ATOM 389 C VAL A 26 7.270 7.601 -4.311 1.00 0.00 C ATOM 390 O VAL A 26 7.354 8.074 -5.427 1.00 0.00 O ATOM 391 CB VAL A 26 8.679 8.960 -2.720 1.00 0.00 C ATOM 392 CG1 VAL A 26 9.511 9.086 -3.993 1.00 0.00 C ATOM 393 CG2 VAL A 26 8.606 10.322 -2.024 1.00 0.00 C ATOM 0 H VAL A 26 7.529 7.642 -1.132 1.00 0.00 H new ATOM 0 HA VAL A 26 6.607 9.329 -3.292 1.00 0.00 H new ATOM 0 HB VAL A 26 9.146 8.232 -2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.517 9.420 -3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.565 8.117 -4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.046 9.811 -4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.613 10.658 -1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.136 11.046 -2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.017 10.233 -1.111 1.00 0.00 H new ATOM 403 N LEU A 27 7.173 6.313 -4.127 1.00 0.00 N ATOM 404 CA LEU A 27 7.163 5.393 -5.301 1.00 0.00 C ATOM 405 C LEU A 27 5.730 4.961 -5.619 1.00 0.00 C ATOM 406 O LEU A 27 5.435 4.515 -6.709 1.00 0.00 O ATOM 407 CB LEU A 27 8.005 4.190 -4.871 1.00 0.00 C ATOM 408 CG LEU A 27 9.319 4.180 -5.654 1.00 0.00 C ATOM 409 CD1 LEU A 27 9.035 3.873 -7.126 1.00 0.00 C ATOM 410 CD2 LEU A 27 9.989 5.551 -5.542 1.00 0.00 C ATOM 0 H LEU A 27 7.100 5.858 -3.217 1.00 0.00 H new ATOM 0 HA LEU A 27 7.560 5.865 -6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.207 4.238 -3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.456 3.266 -5.050 1.00 0.00 H new ATOM 0 HG LEU A 27 9.979 3.416 -5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.972 3.866 -7.683 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.556 2.897 -7.208 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.374 4.637 -7.536 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.926 5.545 -6.100 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.327 6.314 -5.952 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.192 5.772 -4.494 1.00 0.00 H new ATOM 422 N LEU A 28 4.834 5.088 -4.675 1.00 0.00 N ATOM 423 CA LEU A 28 3.428 4.683 -4.931 1.00 0.00 C ATOM 424 C LEU A 28 2.574 5.904 -5.272 1.00 0.00 C ATOM 425 O LEU A 28 2.895 7.018 -4.908 1.00 0.00 O ATOM 426 CB LEU A 28 2.938 4.060 -3.626 1.00 0.00 C ATOM 427 CG LEU A 28 4.068 3.284 -2.948 1.00 0.00 C ATOM 428 CD1 LEU A 28 3.633 2.885 -1.539 1.00 0.00 C ATOM 429 CD2 LEU A 28 4.372 2.021 -3.754 1.00 0.00 C ATOM 0 H LEU A 28 5.018 5.454 -3.741 1.00 0.00 H new ATOM 0 HA LEU A 28 3.358 3.991 -5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.572 4.840 -2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.100 3.393 -3.826 1.00 0.00 H new ATOM 0 HG LEU A 28 4.959 3.910 -2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.437 2.332 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.408 3.781 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.744 2.257 -1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.177 1.467 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.480 1.397 -3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.676 2.298 -4.764 1.00 0.00 H new ATOM 441 N SER A 29 1.483 5.707 -5.962 1.00 0.00 N ATOM 442 CA SER A 29 0.615 6.866 -6.309 1.00 0.00 C ATOM 443 C SER A 29 -0.432 7.093 -5.218 1.00 0.00 C ATOM 444 O SER A 29 -0.413 8.088 -4.518 1.00 0.00 O ATOM 445 CB SER A 29 -0.065 6.486 -7.623 1.00 0.00 C ATOM 446 OG SER A 29 -0.949 7.529 -8.013 1.00 0.00 O ATOM 0 H SER A 29 1.158 4.800 -6.298 1.00 0.00 H new ATOM 0 HA SER A 29 1.189 7.788 -6.400 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.683 6.319 -8.398 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.615 5.553 -7.504 1.00 0.00 H new ATOM 0 HG SER A 29 -1.386 7.289 -8.857 1.00 0.00 H new ATOM 452 N SER A 30 -1.348 6.180 -5.076 1.00 0.00 N ATOM 453 CA SER A 30 -2.408 6.333 -4.036 1.00 0.00 C ATOM 454 C SER A 30 -2.772 4.967 -3.449 1.00 0.00 C ATOM 455 O SER A 30 -2.014 4.024 -3.536 1.00 0.00 O ATOM 456 CB SER A 30 -3.603 6.934 -4.775 1.00 0.00 C ATOM 457 OG SER A 30 -3.898 6.137 -5.914 1.00 0.00 O ATOM 0 H SER A 30 -1.411 5.330 -5.636 1.00 0.00 H new ATOM 0 HA SER A 30 -2.085 6.960 -3.205 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.469 6.980 -4.114 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.380 7.957 -5.080 1.00 0.00 H new ATOM 0 HG SER A 30 -4.751 5.674 -5.777 1.00 0.00 H new ATOM 463 N TRP A 31 -3.926 4.855 -2.850 1.00 0.00 N ATOM 464 CA TRP A 31 -4.335 3.547 -2.260 1.00 0.00 C ATOM 465 C TRP A 31 -5.840 3.526 -2.007 1.00 0.00 C ATOM 466 O TRP A 31 -6.491 4.551 -1.966 1.00 0.00 O ATOM 467 CB TRP A 31 -3.598 3.459 -0.927 1.00 0.00 C ATOM 468 CG TRP A 31 -4.119 4.516 -0.014 1.00 0.00 C ATOM 469 CD1 TRP A 31 -3.881 5.833 -0.160 1.00 0.00 C ATOM 470 CD2 TRP A 31 -4.961 4.378 1.167 1.00 0.00 C ATOM 471 NE1 TRP A 31 -4.509 6.520 0.863 1.00 0.00 N ATOM 472 CE2 TRP A 31 -5.192 5.665 1.706 1.00 0.00 C ATOM 473 CE3 TRP A 31 -5.538 3.272 1.819 1.00 0.00 C ATOM 474 CZ2 TRP A 31 -5.968 5.850 2.850 1.00 0.00 C ATOM 475 CZ3 TRP A 31 -6.322 3.456 2.971 1.00 0.00 C ATOM 476 CH2 TRP A 31 -6.536 4.742 3.485 1.00 0.00 C ATOM 0 H TRP A 31 -4.603 5.611 -2.743 1.00 0.00 H new ATOM 0 HA TRP A 31 -4.099 2.716 -2.925 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -3.740 2.474 -0.482 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -2.527 3.588 -1.080 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -3.294 6.281 -0.949 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -4.472 7.533 0.980 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.377 2.277 1.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.129 6.843 3.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -6.762 2.601 3.463 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -7.139 4.877 4.371 1.00 0.00 H new ATOM 487 N TYR A 32 -6.390 2.365 -1.807 1.00 0.00 N ATOM 488 CA TYR A 32 -7.848 2.275 -1.520 1.00 0.00 C ATOM 489 C TYR A 32 -8.133 1.036 -0.670 1.00 0.00 C ATOM 490 O TYR A 32 -7.590 -0.026 -0.905 1.00 0.00 O ATOM 491 CB TYR A 32 -8.547 2.231 -2.887 1.00 0.00 C ATOM 492 CG TYR A 32 -8.505 0.844 -3.479 1.00 0.00 C ATOM 493 CD1 TYR A 32 -9.189 -0.205 -2.860 1.00 0.00 C ATOM 494 CD2 TYR A 32 -7.799 0.616 -4.666 1.00 0.00 C ATOM 495 CE1 TYR A 32 -9.163 -1.486 -3.421 1.00 0.00 C ATOM 496 CE2 TYR A 32 -7.775 -0.663 -5.231 1.00 0.00 C ATOM 497 CZ TYR A 32 -8.456 -1.716 -4.608 1.00 0.00 C ATOM 498 OH TYR A 32 -8.433 -2.979 -5.165 1.00 0.00 O ATOM 0 H TYR A 32 -5.895 1.474 -1.829 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.217 3.124 -0.945 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.583 2.551 -2.779 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.066 2.934 -3.567 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.738 -0.027 -1.947 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.273 1.428 -5.146 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.688 -2.298 -2.939 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.231 -0.839 -6.148 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.899 -2.965 -5.986 1.00 0.00 H new ATOM 508 N PRO A 33 -8.962 1.234 0.320 1.00 0.00 N ATOM 509 CA PRO A 33 -9.321 0.144 1.262 1.00 0.00 C ATOM 510 C PRO A 33 -10.163 -0.929 0.567 1.00 0.00 C ATOM 511 O PRO A 33 -10.840 -0.668 -0.407 1.00 0.00 O ATOM 512 CB PRO A 33 -10.125 0.860 2.343 1.00 0.00 C ATOM 513 CG PRO A 33 -10.665 2.071 1.668 1.00 0.00 C ATOM 514 CD PRO A 33 -9.641 2.488 0.650 1.00 0.00 C ATOM 0 HA PRO A 33 -8.451 -0.380 1.658 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.927 0.228 2.725 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.497 1.127 3.193 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.620 1.855 1.190 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.843 2.869 2.388 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.106 2.936 -0.228 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.948 3.226 1.055 1.00 0.00 H new ATOM 522 N THR A 34 -10.125 -2.137 1.061 1.00 0.00 N ATOM 523 CA THR A 34 -10.919 -3.229 0.425 1.00 0.00 C ATOM 524 C THR A 34 -12.086 -3.631 1.333 1.00 0.00 C ATOM 525 O THR A 34 -12.420 -2.938 2.273 1.00 0.00 O ATOM 526 CB THR A 34 -9.945 -4.403 0.255 1.00 0.00 C ATOM 527 OG1 THR A 34 -10.191 -5.367 1.267 1.00 0.00 O ATOM 528 CG2 THR A 34 -8.497 -3.913 0.360 1.00 0.00 C ATOM 0 H THR A 34 -9.579 -2.415 1.877 1.00 0.00 H new ATOM 0 HA THR A 34 -11.345 -2.918 -0.529 1.00 0.00 H new ATOM 0 HB THR A 34 -10.096 -4.849 -0.728 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.523 -5.273 1.978 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.818 -4.757 0.238 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.305 -3.176 -0.420 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.337 -3.457 1.337 1.00 0.00 H new ATOM 640 N GLY A 42 -8.086 -5.338 3.776 1.00 0.00 N ATOM 641 CA GLY A 42 -6.978 -4.494 4.307 1.00 0.00 C ATOM 642 C GLY A 42 -6.795 -3.258 3.428 1.00 0.00 C ATOM 643 O GLY A 42 -7.748 -2.681 2.945 1.00 0.00 O ATOM 0 HA2 GLY A 42 -7.198 -4.193 5.331 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.053 -5.070 4.336 1.00 0.00 H new ATOM 647 N VAL A 43 -5.575 -2.842 3.219 1.00 0.00 N ATOM 648 CA VAL A 43 -5.335 -1.642 2.370 1.00 0.00 C ATOM 649 C VAL A 43 -4.450 -2.002 1.182 1.00 0.00 C ATOM 650 O VAL A 43 -3.389 -2.576 1.331 1.00 0.00 O ATOM 651 CB VAL A 43 -4.632 -0.631 3.281 1.00 0.00 C ATOM 652 CG1 VAL A 43 -3.682 0.239 2.455 1.00 0.00 C ATOM 653 CG2 VAL A 43 -5.674 0.272 3.935 1.00 0.00 C ATOM 0 H VAL A 43 -4.736 -3.281 3.599 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.262 -1.239 1.963 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.070 -1.171 4.043 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.185 0.956 3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.935 -0.393 1.975 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.249 0.774 1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.176 0.992 4.584 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.231 0.803 3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.361 -0.334 4.526 1.00 0.00 H new ATOM 663 N ILE A 44 -4.870 -1.650 0.003 1.00 0.00 N ATOM 664 CA ILE A 44 -4.049 -1.949 -1.197 1.00 0.00 C ATOM 665 C ILE A 44 -3.485 -0.640 -1.743 1.00 0.00 C ATOM 666 O ILE A 44 -4.160 0.370 -1.766 1.00 0.00 O ATOM 667 CB ILE A 44 -5.016 -2.587 -2.193 1.00 0.00 C ATOM 668 CG1 ILE A 44 -5.907 -1.502 -2.793 1.00 0.00 C ATOM 669 CG2 ILE A 44 -5.885 -3.622 -1.479 1.00 0.00 C ATOM 670 CD1 ILE A 44 -5.310 -1.037 -4.119 1.00 0.00 C ATOM 0 H ILE A 44 -5.749 -1.167 -0.182 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.208 -2.610 -0.990 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.450 -3.079 -2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.914 -1.888 -2.950 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.991 -0.662 -2.104 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.573 -4.074 -2.193 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.249 -4.395 -1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.453 -3.135 -0.686 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.943 -0.262 -4.551 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.311 -0.636 -3.948 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.249 -1.881 -4.806 1.00 0.00 H new ATOM 682 N PHE A 45 -2.254 -0.631 -2.162 1.00 0.00 N ATOM 683 CA PHE A 45 -1.669 0.632 -2.675 1.00 0.00 C ATOM 684 C PHE A 45 -1.466 0.563 -4.188 1.00 0.00 C ATOM 685 O PHE A 45 -1.155 -0.472 -4.741 1.00 0.00 O ATOM 686 CB PHE A 45 -0.316 0.742 -1.973 1.00 0.00 C ATOM 687 CG PHE A 45 -0.521 1.018 -0.504 1.00 0.00 C ATOM 688 CD1 PHE A 45 -0.786 2.321 -0.068 1.00 0.00 C ATOM 689 CD2 PHE A 45 -0.445 -0.030 0.423 1.00 0.00 C ATOM 690 CE1 PHE A 45 -0.977 2.576 1.295 1.00 0.00 C ATOM 691 CE2 PHE A 45 -0.636 0.226 1.784 1.00 0.00 C ATOM 692 CZ PHE A 45 -0.901 1.527 2.219 1.00 0.00 C ATOM 0 H PHE A 45 -1.631 -1.439 -2.171 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.316 1.488 -2.483 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.247 -0.182 -2.103 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.273 1.541 -2.423 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.843 3.129 -0.782 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.239 -1.035 0.086 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.183 3.581 1.633 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.579 -0.582 2.499 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.048 1.724 3.271 1.00 0.00 H new ATOM 702 N LEU A 46 -1.622 1.669 -4.857 1.00 0.00 N ATOM 703 CA LEU A 46 -1.418 1.687 -6.330 1.00 0.00 C ATOM 704 C LEU A 46 -0.141 2.459 -6.642 1.00 0.00 C ATOM 705 O LEU A 46 0.015 3.603 -6.259 1.00 0.00 O ATOM 706 CB LEU A 46 -2.641 2.407 -6.900 1.00 0.00 C ATOM 707 CG LEU A 46 -3.602 1.392 -7.529 1.00 0.00 C ATOM 708 CD1 LEU A 46 -3.535 0.069 -6.764 1.00 0.00 C ATOM 709 CD2 LEU A 46 -5.029 1.940 -7.468 1.00 0.00 C ATOM 0 H LEU A 46 -1.883 2.565 -4.445 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.315 0.689 -6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.149 2.959 -6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.328 3.136 -7.648 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.316 1.222 -8.567 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.220 -0.648 -7.216 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.519 -0.324 -6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.818 0.235 -5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.715 1.220 -7.915 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.309 2.111 -6.429 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.082 2.880 -8.017 1.00 0.00 H new ATOM 721 N THR A 47 0.781 1.842 -7.321 1.00 0.00 N ATOM 722 CA THR A 47 2.057 2.542 -7.636 1.00 0.00 C ATOM 723 C THR A 47 1.792 3.757 -8.520 1.00 0.00 C ATOM 724 O THR A 47 0.703 4.291 -8.545 1.00 0.00 O ATOM 725 CB THR A 47 2.916 1.514 -8.378 1.00 0.00 C ATOM 726 OG1 THR A 47 2.474 1.409 -9.728 1.00 0.00 O ATOM 727 CG2 THR A 47 2.798 0.152 -7.690 1.00 0.00 C ATOM 0 H THR A 47 0.709 0.887 -7.671 1.00 0.00 H new ATOM 0 HA THR A 47 2.553 2.906 -6.736 1.00 0.00 H new ATOM 0 HB THR A 47 3.958 1.835 -8.363 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.228 1.156 -10.300 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.410 -0.578 -8.220 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.142 0.234 -6.659 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.757 -0.172 -7.700 1.00 0.00 H new ATOM 735 N LYS A 48 2.783 4.188 -9.246 1.00 0.00 N ATOM 736 CA LYS A 48 2.605 5.360 -10.145 1.00 0.00 C ATOM 737 C LYS A 48 2.699 4.887 -11.596 1.00 0.00 C ATOM 738 O LYS A 48 2.667 5.669 -12.526 1.00 0.00 O ATOM 739 CB LYS A 48 3.766 6.297 -9.809 1.00 0.00 C ATOM 740 CG LYS A 48 3.404 7.148 -8.590 1.00 0.00 C ATOM 741 CD LYS A 48 3.415 8.627 -8.979 1.00 0.00 C ATOM 742 CE LYS A 48 2.459 9.401 -8.067 1.00 0.00 C ATOM 743 NZ LYS A 48 2.744 10.837 -8.344 1.00 0.00 N ATOM 0 H LYS A 48 3.716 3.776 -9.255 1.00 0.00 H new ATOM 0 HA LYS A 48 1.643 5.856 -10.017 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.667 5.718 -9.606 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.986 6.940 -10.661 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.420 6.867 -8.216 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.115 6.968 -7.783 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.424 9.030 -8.892 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.115 8.743 -10.020 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.420 9.155 -8.285 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.631 9.159 -7.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.127 11.433 -7.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.739 11.043 -8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.565 11.039 -9.348 1.00 0.00 H new ATOM 757 N ARG A 49 2.822 3.601 -11.783 1.00 0.00 N ATOM 758 CA ARG A 49 2.929 3.040 -13.157 1.00 0.00 C ATOM 759 C ARG A 49 1.692 2.204 -13.490 1.00 0.00 C ATOM 760 O ARG A 49 1.344 2.022 -14.640 1.00 0.00 O ATOM 761 CB ARG A 49 4.174 2.154 -13.107 1.00 0.00 C ATOM 762 CG ARG A 49 5.403 2.973 -13.502 1.00 0.00 C ATOM 763 CD ARG A 49 5.513 3.027 -15.028 1.00 0.00 C ATOM 764 NE ARG A 49 5.651 1.606 -15.453 1.00 0.00 N ATOM 765 CZ ARG A 49 4.842 1.111 -16.349 1.00 0.00 C ATOM 766 NH1 ARG A 49 4.859 1.573 -17.570 1.00 0.00 N ATOM 767 NH2 ARG A 49 4.015 0.155 -16.025 1.00 0.00 N ATOM 0 H ARG A 49 2.853 2.910 -11.034 1.00 0.00 H new ATOM 0 HA ARG A 49 2.998 3.815 -13.921 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.303 1.747 -12.104 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.057 1.307 -13.782 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.326 3.982 -13.097 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.302 2.526 -13.078 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.631 3.488 -15.472 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.373 3.618 -15.341 1.00 0.00 H new ATOM 0 HE ARG A 49 6.378 1.020 -15.043 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.505 2.321 -17.823 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.227 1.186 -18.271 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.001 -0.206 -15.071 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.383 -0.232 -16.726 1.00 0.00 H new ATOM 781 N GLY A 50 1.026 1.691 -12.493 1.00 0.00 N ATOM 782 CA GLY A 50 -0.185 0.867 -12.752 1.00 0.00 C ATOM 783 C GLY A 50 -0.098 -0.443 -11.963 1.00 0.00 C ATOM 784 O GLY A 50 -0.899 -1.338 -12.143 1.00 0.00 O ATOM 0 H GLY A 50 1.269 1.808 -11.509 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.080 1.418 -12.463 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.271 0.656 -13.818 1.00 0.00 H new ATOM 788 N ARG A 51 0.862 -0.561 -11.086 1.00 0.00 N ATOM 789 CA ARG A 51 0.990 -1.812 -10.286 1.00 0.00 C ATOM 790 C ARG A 51 0.198 -1.674 -8.984 1.00 0.00 C ATOM 791 O ARG A 51 0.035 -0.589 -8.461 1.00 0.00 O ATOM 792 CB ARG A 51 2.486 -1.948 -9.995 1.00 0.00 C ATOM 793 CG ARG A 51 3.070 -3.089 -10.830 1.00 0.00 C ATOM 794 CD ARG A 51 4.490 -2.726 -11.270 1.00 0.00 C ATOM 795 NE ARG A 51 4.958 -3.895 -12.066 1.00 0.00 N ATOM 796 CZ ARG A 51 6.222 -4.215 -12.073 1.00 0.00 C ATOM 797 NH1 ARG A 51 6.747 -4.825 -11.044 1.00 0.00 N ATOM 798 NH2 ARG A 51 6.963 -3.927 -13.107 1.00 0.00 N ATOM 0 H ARG A 51 1.562 0.154 -10.889 1.00 0.00 H new ATOM 0 HA ARG A 51 0.601 -2.685 -10.810 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.998 -1.014 -10.228 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.644 -2.142 -8.934 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.083 -4.010 -10.247 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.443 -3.273 -11.703 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.497 -1.814 -11.867 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.137 -2.550 -10.410 1.00 0.00 H new ATOM 0 HE ARG A 51 4.290 -4.445 -12.606 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.168 -5.051 -10.235 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.736 -5.075 -11.049 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.554 -3.451 -13.911 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.952 -4.178 -13.112 1.00 0.00 H new ATOM 812 N GLN A 52 -0.307 -2.757 -8.459 1.00 0.00 N ATOM 813 CA GLN A 52 -1.094 -2.670 -7.203 1.00 0.00 C ATOM 814 C GLN A 52 -0.318 -3.292 -6.040 1.00 0.00 C ATOM 815 O GLN A 52 0.557 -4.113 -6.226 1.00 0.00 O ATOM 816 CB GLN A 52 -2.364 -3.473 -7.475 1.00 0.00 C ATOM 817 CG GLN A 52 -2.838 -3.250 -8.916 1.00 0.00 C ATOM 818 CD GLN A 52 -3.734 -2.011 -8.973 1.00 0.00 C ATOM 819 OE1 GLN A 52 -3.266 -0.920 -9.232 1.00 0.00 O ATOM 820 NE2 GLN A 52 -5.011 -2.135 -8.738 1.00 0.00 N ATOM 0 H GLN A 52 -0.207 -3.695 -8.847 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.308 -1.637 -6.928 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.175 -4.533 -7.308 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.147 -3.175 -6.778 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.980 -3.122 -9.576 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.385 -4.124 -9.269 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.403 -3.051 -8.521 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.618 -1.316 -8.772 1.00 0.00 H new ATOM 829 N VAL A 53 -0.643 -2.903 -4.839 1.00 0.00 N ATOM 830 CA VAL A 53 0.056 -3.457 -3.649 1.00 0.00 C ATOM 831 C VAL A 53 -0.960 -3.736 -2.536 1.00 0.00 C ATOM 832 O VAL A 53 -2.034 -3.170 -2.512 1.00 0.00 O ATOM 833 CB VAL A 53 1.036 -2.359 -3.233 1.00 0.00 C ATOM 834 CG1 VAL A 53 1.241 -2.406 -1.722 1.00 0.00 C ATOM 835 CG2 VAL A 53 2.379 -2.581 -3.933 1.00 0.00 C ATOM 0 H VAL A 53 -1.370 -2.219 -4.630 1.00 0.00 H new ATOM 0 HA VAL A 53 0.566 -4.398 -3.854 1.00 0.00 H new ATOM 0 HB VAL A 53 0.633 -1.387 -3.517 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.939 -1.624 -1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.286 -2.250 -1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.644 -3.379 -1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.078 -1.798 -3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.781 -3.553 -3.649 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.236 -2.550 -5.013 1.00 0.00 H new ATOM 845 N CYS A 54 -0.634 -4.604 -1.619 1.00 0.00 N ATOM 846 CA CYS A 54 -1.586 -4.914 -0.516 1.00 0.00 C ATOM 847 C CYS A 54 -0.838 -5.020 0.813 1.00 0.00 C ATOM 848 O CYS A 54 0.044 -5.839 0.970 1.00 0.00 O ATOM 849 CB CYS A 54 -2.179 -6.267 -0.893 1.00 0.00 C ATOM 850 SG CYS A 54 -3.905 -6.338 -0.361 1.00 0.00 S ATOM 0 H CYS A 54 0.250 -5.112 -1.586 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.347 -4.143 -0.394 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.113 -6.417 -1.971 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.609 -7.069 -0.424 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.682 -6.313 -1.403 1.00 0.00 H new ATOM 855 N ALA A 55 -1.177 -4.205 1.774 1.00 0.00 N ATOM 856 CA ALA A 55 -0.470 -4.281 3.081 1.00 0.00 C ATOM 857 C ALA A 55 -1.438 -3.996 4.231 1.00 0.00 C ATOM 858 O ALA A 55 -2.528 -3.495 4.033 1.00 0.00 O ATOM 859 CB ALA A 55 0.611 -3.206 3.003 1.00 0.00 C ATOM 0 H ALA A 55 -1.907 -3.496 1.711 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.050 -5.270 3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.181 -3.195 3.932 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.279 -3.422 2.169 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.145 -2.232 2.852 1.00 0.00 H new ATOM 865 N ASP A 56 -1.047 -4.321 5.432 1.00 0.00 N ATOM 866 CA ASP A 56 -1.938 -4.077 6.600 1.00 0.00 C ATOM 867 C ASP A 56 -1.809 -2.629 7.076 1.00 0.00 C ATOM 868 O ASP A 56 -0.751 -2.190 7.481 1.00 0.00 O ATOM 869 CB ASP A 56 -1.442 -5.039 7.678 1.00 0.00 C ATOM 870 CG ASP A 56 -2.542 -5.251 8.720 1.00 0.00 C ATOM 871 OD1 ASP A 56 -3.488 -4.481 8.718 1.00 0.00 O ATOM 872 OD2 ASP A 56 -2.419 -6.178 9.504 1.00 0.00 O ATOM 0 H ASP A 56 -0.147 -4.746 5.655 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.989 -4.237 6.357 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.163 -5.992 7.229 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.548 -4.638 8.155 1.00 0.00 H new ATOM 877 N LYS A 57 -2.880 -1.887 7.035 1.00 0.00 N ATOM 878 CA LYS A 57 -2.820 -0.468 7.490 1.00 0.00 C ATOM 879 C LYS A 57 -2.188 -0.385 8.882 1.00 0.00 C ATOM 880 O LYS A 57 -1.724 0.656 9.302 1.00 0.00 O ATOM 881 CB LYS A 57 -4.275 0.005 7.532 1.00 0.00 C ATOM 882 CG LYS A 57 -5.167 -1.114 8.073 1.00 0.00 C ATOM 883 CD LYS A 57 -5.962 -1.733 6.922 1.00 0.00 C ATOM 884 CE LYS A 57 -7.410 -1.244 6.981 1.00 0.00 C ATOM 885 NZ LYS A 57 -8.204 -2.443 7.369 1.00 0.00 N ATOM 0 H LYS A 57 -3.794 -2.200 6.707 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.213 0.149 6.827 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.362 0.889 8.163 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.603 0.293 6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.558 -1.876 8.560 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.847 -0.719 8.828 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.513 -1.459 5.967 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.931 -2.821 6.988 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.526 -0.441 7.709 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.734 -0.851 6.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.042 -2.145 7.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.505 -2.952 6.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.620 -3.071 7.958 1.00 0.00 H new ATOM 899 N SER A 58 -2.167 -1.474 9.602 1.00 0.00 N ATOM 900 CA SER A 58 -1.565 -1.452 10.967 1.00 0.00 C ATOM 901 C SER A 58 -0.037 -1.451 10.874 1.00 0.00 C ATOM 902 O SER A 58 0.655 -1.488 11.871 1.00 0.00 O ATOM 903 CB SER A 58 -2.061 -2.730 11.642 1.00 0.00 C ATOM 904 OG SER A 58 -1.148 -3.786 11.375 1.00 0.00 O ATOM 0 H SER A 58 -2.540 -2.376 9.305 1.00 0.00 H new ATOM 0 HA SER A 58 -1.848 -0.561 11.527 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.152 -2.575 12.717 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.053 -2.989 11.272 1.00 0.00 H new ATOM 0 HG SER A 58 -1.462 -4.607 11.808 1.00 0.00 H new ATOM 910 N LYS A 59 0.493 -1.403 9.683 1.00 0.00 N ATOM 911 CA LYS A 59 1.976 -1.394 9.528 1.00 0.00 C ATOM 912 C LYS A 59 2.501 0.038 9.593 1.00 0.00 C ATOM 913 O LYS A 59 2.141 0.880 8.798 1.00 0.00 O ATOM 914 CB LYS A 59 2.233 -1.998 8.151 1.00 0.00 C ATOM 915 CG LYS A 59 2.569 -3.483 8.296 1.00 0.00 C ATOM 916 CD LYS A 59 3.969 -3.635 8.894 1.00 0.00 C ATOM 917 CE LYS A 59 3.856 -4.015 10.372 1.00 0.00 C ATOM 918 NZ LYS A 59 4.853 -5.106 10.565 1.00 0.00 N ATOM 0 H LYS A 59 -0.035 -1.370 8.811 1.00 0.00 H new ATOM 0 HA LYS A 59 2.479 -1.953 10.317 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.354 -1.874 7.519 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.054 -1.475 7.661 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.834 -3.972 8.935 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.522 -3.974 7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.526 -4.400 8.353 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.524 -2.703 8.789 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.073 -3.163 11.017 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.849 -4.352 10.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.836 -5.421 11.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.617 -5.906 9.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.803 -4.754 10.330 1.00 0.00 H new ATOM 932 N ASP A 60 3.350 0.316 10.538 1.00 0.00 N ATOM 933 CA ASP A 60 3.904 1.693 10.668 1.00 0.00 C ATOM 934 C ASP A 60 4.230 2.280 9.290 1.00 0.00 C ATOM 935 O ASP A 60 3.705 3.306 8.906 1.00 0.00 O ATOM 936 CB ASP A 60 5.178 1.519 11.491 1.00 0.00 C ATOM 937 CG ASP A 60 4.849 1.659 12.978 1.00 0.00 C ATOM 938 OD1 ASP A 60 3.886 1.048 13.411 1.00 0.00 O ATOM 939 OD2 ASP A 60 5.565 2.374 13.659 1.00 0.00 O ATOM 0 H ASP A 60 3.687 -0.353 11.230 1.00 0.00 H new ATOM 0 HA ASP A 60 3.197 2.379 11.136 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.619 0.541 11.296 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.917 2.266 11.199 1.00 0.00 H new ATOM 944 N TRP A 61 5.094 1.644 8.548 1.00 0.00 N ATOM 945 CA TRP A 61 5.451 2.180 7.203 1.00 0.00 C ATOM 946 C TRP A 61 4.193 2.369 6.353 1.00 0.00 C ATOM 947 O TRP A 61 4.023 3.376 5.693 1.00 0.00 O ATOM 948 CB TRP A 61 6.385 1.133 6.590 1.00 0.00 C ATOM 949 CG TRP A 61 5.600 -0.004 6.017 1.00 0.00 C ATOM 950 CD1 TRP A 61 5.237 -1.111 6.696 1.00 0.00 C ATOM 951 CD2 TRP A 61 5.095 -0.172 4.660 1.00 0.00 C ATOM 952 NE1 TRP A 61 4.548 -1.956 5.842 1.00 0.00 N ATOM 953 CE2 TRP A 61 4.434 -1.419 4.575 1.00 0.00 C ATOM 954 CE3 TRP A 61 5.147 0.629 3.508 1.00 0.00 C ATOM 955 CZ2 TRP A 61 3.848 -1.857 3.387 1.00 0.00 C ATOM 956 CZ3 TRP A 61 4.557 0.191 2.310 1.00 0.00 C ATOM 957 CH2 TRP A 61 3.910 -1.052 2.251 1.00 0.00 C ATOM 0 H TRP A 61 5.567 0.780 8.813 1.00 0.00 H new ATOM 0 HA TRP A 61 5.931 3.157 7.260 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.992 1.592 5.810 1.00 0.00 H new ATOM 0 HB3 TRP A 61 7.071 0.761 7.350 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.449 -1.307 7.737 1.00 0.00 H new ATOM 0 HE1 TRP A 61 4.171 -2.864 6.115 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.643 1.588 3.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.349 -2.814 3.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 4.602 0.815 1.430 1.00 0.00 H new ATOM 0 HH2 TRP A 61 3.461 -1.385 1.327 1.00 0.00 H new ATOM 968 N VAL A 62 3.303 1.420 6.373 1.00 0.00 N ATOM 969 CA VAL A 62 2.059 1.562 5.579 1.00 0.00 C ATOM 970 C VAL A 62 1.269 2.779 6.066 1.00 0.00 C ATOM 971 O VAL A 62 0.904 3.642 5.296 1.00 0.00 O ATOM 972 CB VAL A 62 1.295 0.266 5.832 1.00 0.00 C ATOM 973 CG1 VAL A 62 -0.199 0.536 5.764 1.00 0.00 C ATOM 974 CG2 VAL A 62 1.663 -0.754 4.759 1.00 0.00 C ATOM 0 H VAL A 62 3.385 0.554 6.905 1.00 0.00 H new ATOM 0 HA VAL A 62 2.244 1.718 4.516 1.00 0.00 H new ATOM 0 HB VAL A 62 1.555 -0.121 6.817 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.745 -0.390 5.945 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.471 1.271 6.522 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.455 0.921 4.777 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.119 -1.682 4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.399 -0.361 3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.735 -0.950 4.795 1.00 0.00 H new ATOM 984 N LYS A 63 1.010 2.862 7.342 1.00 0.00 N ATOM 985 CA LYS A 63 0.261 4.026 7.868 1.00 0.00 C ATOM 986 C LYS A 63 0.774 5.299 7.198 1.00 0.00 C ATOM 987 O LYS A 63 0.008 6.120 6.734 1.00 0.00 O ATOM 988 CB LYS A 63 0.564 4.025 9.364 1.00 0.00 C ATOM 989 CG LYS A 63 -0.626 4.602 10.120 1.00 0.00 C ATOM 990 CD LYS A 63 -0.132 5.400 11.328 1.00 0.00 C ATOM 991 CE LYS A 63 -1.022 5.101 12.536 1.00 0.00 C ATOM 992 NZ LYS A 63 -0.391 5.832 13.669 1.00 0.00 N ATOM 0 H LYS A 63 1.287 2.171 8.039 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.811 3.978 7.676 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.768 3.010 9.705 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.458 4.615 9.566 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.210 5.245 9.462 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.285 3.798 10.448 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.902 5.139 11.551 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.150 6.467 11.105 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.044 5.441 12.367 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.071 4.030 12.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.945 5.675 14.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.578 5.483 13.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.365 6.849 13.454 1.00 0.00 H new ATOM 1006 N LYS A 64 2.067 5.456 7.117 1.00 0.00 N ATOM 1007 CA LYS A 64 2.618 6.662 6.445 1.00 0.00 C ATOM 1008 C LYS A 64 2.083 6.709 5.015 1.00 0.00 C ATOM 1009 O LYS A 64 1.701 7.749 4.514 1.00 0.00 O ATOM 1010 CB LYS A 64 4.135 6.468 6.451 1.00 0.00 C ATOM 1011 CG LYS A 64 4.788 7.496 5.524 1.00 0.00 C ATOM 1012 CD LYS A 64 5.023 8.798 6.294 1.00 0.00 C ATOM 1013 CE LYS A 64 6.513 8.940 6.613 1.00 0.00 C ATOM 1014 NZ LYS A 64 7.050 9.832 5.549 1.00 0.00 N ATOM 0 H LYS A 64 2.760 4.805 7.485 1.00 0.00 H new ATOM 0 HA LYS A 64 2.340 7.594 6.938 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.522 6.579 7.464 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.384 5.458 6.124 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.734 7.110 5.143 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.149 7.681 4.661 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.684 9.649 5.703 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.441 8.798 7.216 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.666 9.370 7.603 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.013 7.971 6.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.069 9.977 5.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.896 9.394 4.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.560 10.749 5.585 1.00 0.00 H new ATOM 1028 N LEU A 65 2.039 5.579 4.362 1.00 0.00 N ATOM 1029 CA LEU A 65 1.511 5.543 2.971 1.00 0.00 C ATOM 1030 C LEU A 65 0.073 6.064 2.955 1.00 0.00 C ATOM 1031 O LEU A 65 -0.242 7.028 2.292 1.00 0.00 O ATOM 1032 CB LEU A 65 1.545 4.062 2.565 1.00 0.00 C ATOM 1033 CG LEU A 65 2.981 3.616 2.256 1.00 0.00 C ATOM 1034 CD1 LEU A 65 2.950 2.510 1.207 1.00 0.00 C ATOM 1035 CD2 LEU A 65 3.798 4.781 1.704 1.00 0.00 C ATOM 0 H LEU A 65 2.346 4.680 4.733 1.00 0.00 H new ATOM 0 HA LEU A 65 2.093 6.163 2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.134 3.450 3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.914 3.905 1.690 1.00 0.00 H new ATOM 0 HG LEU A 65 3.438 3.259 3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.968 2.191 0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.379 1.663 1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.481 2.884 0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.813 4.445 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.337 5.146 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.829 5.585 2.440 1.00 0.00 H new ATOM 1064 N GLN A 67 -1.281 7.845 4.788 1.00 0.00 N ATOM 1065 CA GLN A 67 -1.318 9.258 5.266 1.00 0.00 C ATOM 1066 C GLN A 67 -0.942 10.217 4.133 1.00 0.00 C ATOM 1067 O GLN A 67 -1.529 11.270 3.979 1.00 0.00 O ATOM 1068 CB GLN A 67 -0.281 9.324 6.388 1.00 0.00 C ATOM 1069 CG GLN A 67 -0.221 10.748 6.946 1.00 0.00 C ATOM 1070 CD GLN A 67 1.176 11.019 7.506 1.00 0.00 C ATOM 1071 OE1 GLN A 67 1.737 10.193 8.199 1.00 0.00 O ATOM 1072 NE2 GLN A 67 1.767 12.151 7.234 1.00 0.00 N ATOM 0 HA GLN A 67 -2.311 9.549 5.608 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.542 8.622 7.180 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.698 9.029 6.010 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.456 11.467 6.161 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.969 10.875 7.729 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.297 12.845 6.652 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.699 12.341 7.603 1.00 0.00 H new ATOM 1081 N GLN A 68 0.031 9.862 3.342 1.00 0.00 N ATOM 1082 CA GLN A 68 0.445 10.757 2.222 1.00 0.00 C ATOM 1083 C GLN A 68 -0.347 10.423 0.955 1.00 0.00 C ATOM 1084 O GLN A 68 -0.552 11.260 0.098 1.00 0.00 O ATOM 1085 CB GLN A 68 1.929 10.461 2.016 1.00 0.00 C ATOM 1086 CG GLN A 68 2.763 11.394 2.898 1.00 0.00 C ATOM 1087 CD GLN A 68 3.333 12.528 2.045 1.00 0.00 C ATOM 1088 OE1 GLN A 68 2.626 13.448 1.685 1.00 0.00 O ATOM 1089 NE2 GLN A 68 4.593 12.501 1.706 1.00 0.00 N ATOM 0 H GLN A 68 0.558 8.992 3.421 1.00 0.00 H new ATOM 0 HA GLN A 68 0.261 11.809 2.442 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.141 9.421 2.265 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.196 10.599 0.968 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.147 11.802 3.699 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.573 10.838 3.370 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.186 11.728 2.009 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.985 13.253 1.139 1.00 0.00 H new ATOM 1098 N LEU A 69 -0.788 9.204 0.831 1.00 0.00 N ATOM 1099 CA LEU A 69 -1.562 8.804 -0.377 1.00 0.00 C ATOM 1100 C LEU A 69 -3.059 9.026 -0.144 1.00 0.00 C ATOM 1101 O LEU A 69 -3.547 8.877 0.959 1.00 0.00 O ATOM 1102 CB LEU A 69 -1.272 7.313 -0.567 1.00 0.00 C ATOM 1103 CG LEU A 69 0.192 7.001 -0.251 1.00 0.00 C ATOM 1104 CD1 LEU A 69 0.313 5.546 0.198 1.00 0.00 C ATOM 1105 CD2 LEU A 69 1.042 7.203 -1.501 1.00 0.00 C ATOM 0 H LEU A 69 -0.645 8.463 1.517 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.282 9.389 -1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.922 6.726 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.498 7.022 -1.593 1.00 0.00 H new ATOM 0 HG LEU A 69 0.538 7.666 0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.355 5.320 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.294 5.389 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.036 4.889 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.084 6.980 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.693 6.537 -2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.957 8.237 -1.835 1.00 0.00 H new ATOM 1117 N PRO A 70 -3.738 9.375 -1.201 1.00 0.00 N ATOM 1118 CA PRO A 70 -5.194 9.621 -1.130 1.00 0.00 C ATOM 1119 C PRO A 70 -5.970 8.304 -1.265 1.00 0.00 C ATOM 1120 O PRO A 70 -5.818 7.581 -2.229 1.00 0.00 O ATOM 1121 CB PRO A 70 -5.453 10.525 -2.331 1.00 0.00 C ATOM 1122 CG PRO A 70 -4.346 10.234 -3.305 1.00 0.00 C ATOM 1123 CD PRO A 70 -3.213 9.577 -2.552 1.00 0.00 C ATOM 0 HA PRO A 70 -5.511 10.063 -0.185 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.428 10.319 -2.773 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.451 11.575 -2.038 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.703 9.580 -4.101 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.004 11.155 -3.778 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.927 8.631 -3.012 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.324 10.208 -2.542 1.00 0.00 H new ATOM 1131 N VAL A 71 -6.805 7.991 -0.310 1.00 0.00 N ATOM 1132 CA VAL A 71 -7.591 6.723 -0.392 1.00 0.00 C ATOM 1133 C VAL A 71 -8.468 6.728 -1.646 1.00 0.00 C ATOM 1134 O VAL A 71 -9.633 7.069 -1.597 1.00 0.00 O ATOM 1135 CB VAL A 71 -8.463 6.709 0.862 1.00 0.00 C ATOM 1136 CG1 VAL A 71 -9.186 8.049 0.986 1.00 0.00 C ATOM 1137 CG2 VAL A 71 -9.494 5.585 0.750 1.00 0.00 C ATOM 0 H VAL A 71 -6.977 8.556 0.522 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.947 5.845 -0.451 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.840 6.545 1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.810 8.044 1.880 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.453 8.852 1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.812 8.208 0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.118 5.573 1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.120 5.751 -0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.980 4.628 0.653 1.00 0.00 H new ATOM 1147 N THR A 72 -7.915 6.355 -2.766 1.00 0.00 N ATOM 1148 CA THR A 72 -8.710 6.336 -4.029 1.00 0.00 C ATOM 1149 C THR A 72 -10.151 5.897 -3.745 1.00 0.00 C ATOM 1150 O THR A 72 -10.413 5.160 -2.815 1.00 0.00 O ATOM 1151 CB THR A 72 -8.006 5.315 -4.923 1.00 0.00 C ATOM 1152 OG1 THR A 72 -6.657 5.170 -4.501 1.00 0.00 O ATOM 1153 CG2 THR A 72 -8.041 5.792 -6.375 1.00 0.00 C ATOM 0 H THR A 72 -6.943 6.061 -2.863 1.00 0.00 H new ATOM 0 HA THR A 72 -8.765 7.319 -4.496 1.00 0.00 H new ATOM 0 HB THR A 72 -8.516 4.355 -4.849 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.204 4.515 -5.072 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.538 5.062 -7.010 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.077 5.901 -6.697 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.533 6.753 -6.455 1.00 0.00 H new