USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 398 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 45 HIS : no HD1:sc= 0 X(o=-0.34,f=-0.34) USER MOD Set 1.2: A 47 SER OG : rot 180:sc= -0.338 USER MOD Set 2.1: A 26 MET CE :methyl 170:sc=-0.00943 (180deg=-0.235) USER MOD Set 2.2: A 46 TYR OH : rot 71:sc= 0.00364 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0207 X(o=-0.021,f=-0.17) USER MOD Single : A 24 CYS SG : rot 180:sc= 0.0393 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -165:sc= -0.0406 (180deg=-0.322) USER MOD Single : A 55 THR OG1 : rot 42:sc= 1.12 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 271 N CYS A 19 29.068 31.642 28.186 1.00 0.00 N ATOM 272 CA CYS A 19 29.576 32.907 28.704 1.00 0.00 C ATOM 273 C CYS A 19 30.373 32.689 29.986 1.00 0.00 C ATOM 274 O CYS A 19 29.943 31.957 30.878 1.00 0.00 O ATOM 275 CB CYS A 19 28.422 33.876 28.965 1.00 0.00 C ATOM 276 SG CYS A 19 28.050 34.972 27.576 1.00 0.00 S ATOM 0 HA CYS A 19 30.239 33.338 27.954 1.00 0.00 H new ATOM 0 HB2 CYS A 19 27.528 33.302 29.211 1.00 0.00 H new ATOM 0 HB3 CYS A 19 28.661 34.482 29.838 1.00 0.00 H new ATOM 0 HG CYS A 19 27.059 35.752 27.892 1.00 0.00 H new ATOM 282 N GLN A 20 31.536 33.326 30.070 1.00 0.00 N ATOM 283 CA GLN A 20 32.393 33.199 31.243 1.00 0.00 C ATOM 284 C GLN A 20 32.862 34.568 31.726 1.00 0.00 C ATOM 285 O GLN A 20 32.746 35.563 31.011 1.00 0.00 O ATOM 286 CB GLN A 20 33.602 32.317 30.923 1.00 0.00 C ATOM 287 CG GLN A 20 34.644 33.004 30.055 1.00 0.00 C ATOM 288 CD GLN A 20 35.086 32.146 28.886 1.00 0.00 C ATOM 289 OE1 GLN A 20 34.260 31.617 28.142 1.00 0.00 O ATOM 290 NE2 GLN A 20 36.395 32.004 28.718 1.00 0.00 N ATOM 0 H GLN A 20 31.907 33.935 29.340 1.00 0.00 H new ATOM 0 HA GLN A 20 31.811 32.733 32.038 1.00 0.00 H new ATOM 0 HB2 GLN A 20 34.069 32.003 31.856 1.00 0.00 H new ATOM 0 HB3 GLN A 20 33.259 31.414 30.418 1.00 0.00 H new ATOM 0 HG2 GLN A 20 34.237 33.942 29.679 1.00 0.00 H new ATOM 0 HG3 GLN A 20 35.512 33.255 30.665 1.00 0.00 H new ATOM 0 HE21 GLN A 20 37.044 32.461 29.359 1.00 0.00 H new ATOM 0 HE22 GLN A 20 36.752 31.438 27.948 1.00 0.00 H new ATOM 299 N GLY A 21 33.391 34.611 32.945 1.00 0.00 N ATOM 300 CA GLY A 21 33.868 35.863 33.502 1.00 0.00 C ATOM 301 C GLY A 21 34.775 35.656 34.699 1.00 0.00 C ATOM 302 O GLY A 21 35.588 34.731 34.718 1.00 0.00 O ATOM 0 H GLY A 21 33.498 33.801 33.556 1.00 0.00 H new ATOM 0 HA2 GLY A 21 34.406 36.417 32.733 1.00 0.00 H new ATOM 0 HA3 GLY A 21 33.015 36.474 33.797 1.00 0.00 H new ATOM 306 N VAL A 22 34.639 36.520 35.700 1.00 0.00 N ATOM 307 CA VAL A 22 35.453 36.428 36.906 1.00 0.00 C ATOM 308 C VAL A 22 34.638 36.770 38.147 1.00 0.00 C ATOM 309 O VAL A 22 33.903 37.758 38.168 1.00 0.00 O ATOM 310 CB VAL A 22 36.673 37.365 36.831 1.00 0.00 C ATOM 311 CG1 VAL A 22 37.493 37.277 38.110 1.00 0.00 C ATOM 312 CG2 VAL A 22 37.527 37.032 35.617 1.00 0.00 C ATOM 0 H VAL A 22 33.972 37.292 35.699 1.00 0.00 H new ATOM 0 HA VAL A 22 35.800 35.397 36.977 1.00 0.00 H new ATOM 0 HB VAL A 22 36.316 38.390 36.726 1.00 0.00 H new ATOM 0 HG11 VAL A 22 38.351 37.946 38.039 1.00 0.00 H new ATOM 0 HG12 VAL A 22 36.875 37.569 38.959 1.00 0.00 H new ATOM 0 HG13 VAL A 22 37.841 36.254 38.249 1.00 0.00 H new ATOM 0 HG21 VAL A 22 38.384 37.704 35.580 1.00 0.00 H new ATOM 0 HG22 VAL A 22 37.876 36.002 35.689 1.00 0.00 H new ATOM 0 HG23 VAL A 22 36.933 37.151 34.711 1.00 0.00 H new ATOM 322 N VAL A 23 34.772 35.948 39.182 1.00 0.00 N ATOM 323 CA VAL A 23 34.049 36.164 40.430 1.00 0.00 C ATOM 324 C VAL A 23 34.436 37.494 41.066 1.00 0.00 C ATOM 325 O VAL A 23 35.493 37.613 41.687 1.00 0.00 O ATOM 326 CB VAL A 23 34.315 35.029 41.437 1.00 0.00 C ATOM 327 CG1 VAL A 23 33.524 35.254 42.717 1.00 0.00 C ATOM 328 CG2 VAL A 23 33.976 33.680 40.821 1.00 0.00 C ATOM 0 H VAL A 23 35.375 35.125 39.181 1.00 0.00 H new ATOM 0 HA VAL A 23 32.988 36.178 40.182 1.00 0.00 H new ATOM 0 HB VAL A 23 35.376 35.031 41.689 1.00 0.00 H new ATOM 0 HG11 VAL A 23 33.725 34.442 43.416 1.00 0.00 H new ATOM 0 HG12 VAL A 23 33.821 36.202 43.166 1.00 0.00 H new ATOM 0 HG13 VAL A 23 32.459 35.280 42.487 1.00 0.00 H new ATOM 0 HG21 VAL A 23 34.170 32.890 41.546 1.00 0.00 H new ATOM 0 HG22 VAL A 23 32.923 33.663 40.539 1.00 0.00 H new ATOM 0 HG23 VAL A 23 34.592 33.519 39.936 1.00 0.00 H new ATOM 338 N CYS A 24 33.574 38.492 40.907 1.00 0.00 N ATOM 339 CA CYS A 24 33.826 39.816 41.465 1.00 0.00 C ATOM 340 C CYS A 24 33.241 39.934 42.869 1.00 0.00 C ATOM 341 O CYS A 24 33.716 40.722 43.686 1.00 0.00 O ATOM 342 CB CYS A 24 33.232 40.896 40.560 1.00 0.00 C ATOM 343 SG CYS A 24 31.444 40.761 40.325 1.00 0.00 S ATOM 0 H CYS A 24 32.695 38.410 40.397 1.00 0.00 H new ATOM 0 HA CYS A 24 34.905 39.958 41.527 1.00 0.00 H new ATOM 0 HB2 CYS A 24 33.459 41.875 40.983 1.00 0.00 H new ATOM 0 HB3 CYS A 24 33.720 40.848 39.587 1.00 0.00 H new ATOM 0 HG CYS A 24 31.035 41.719 39.547 1.00 0.00 H new ATOM 349 N ALA A 25 32.205 39.146 43.141 1.00 0.00 N ATOM 350 CA ALA A 25 31.555 39.162 44.445 1.00 0.00 C ATOM 351 C ALA A 25 31.913 37.919 45.252 1.00 0.00 C ATOM 352 O ALA A 25 31.667 36.794 44.818 1.00 0.00 O ATOM 353 CB ALA A 25 30.046 39.271 44.282 1.00 0.00 C ATOM 0 H ALA A 25 31.799 38.489 42.475 1.00 0.00 H new ATOM 0 HA ALA A 25 31.914 40.034 44.991 1.00 0.00 H new ATOM 0 HB1 ALA A 25 29.574 39.282 45.264 1.00 0.00 H new ATOM 0 HB2 ALA A 25 29.803 40.192 43.752 1.00 0.00 H new ATOM 0 HB3 ALA A 25 29.679 38.417 43.712 1.00 0.00 H new ATOM 359 N MET A 26 32.496 38.129 46.428 1.00 0.00 N ATOM 360 CA MET A 26 32.887 37.024 47.295 1.00 0.00 C ATOM 361 C MET A 26 31.974 36.940 48.514 1.00 0.00 C ATOM 362 O MET A 26 31.966 37.833 49.361 1.00 0.00 O ATOM 363 CB MET A 26 34.341 37.190 47.744 1.00 0.00 C ATOM 364 CG MET A 26 35.296 36.208 47.085 1.00 0.00 C ATOM 365 SD MET A 26 35.857 34.920 48.215 1.00 0.00 S ATOM 366 CE MET A 26 35.077 33.476 47.497 1.00 0.00 C ATOM 0 H MET A 26 32.708 39.054 46.802 1.00 0.00 H new ATOM 0 HA MET A 26 32.792 36.098 46.727 1.00 0.00 H new ATOM 0 HB2 MET A 26 34.667 38.206 47.522 1.00 0.00 H new ATOM 0 HB3 MET A 26 34.395 37.067 48.826 1.00 0.00 H new ATOM 0 HG2 MET A 26 34.803 35.746 46.230 1.00 0.00 H new ATOM 0 HG3 MET A 26 36.160 36.750 46.700 1.00 0.00 H new ATOM 0 HE1 MET A 26 35.468 32.577 47.973 1.00 0.00 H new ATOM 0 HE2 MET A 26 33.999 33.530 47.652 1.00 0.00 H new ATOM 0 HE3 MET A 26 35.288 33.442 46.428 1.00 0.00 H new ATOM 376 N LYS A 27 31.204 35.860 48.596 1.00 0.00 N ATOM 377 CA LYS A 27 30.286 35.658 49.712 1.00 0.00 C ATOM 378 C LYS A 27 30.204 34.181 50.087 1.00 0.00 C ATOM 379 O LYS A 27 30.786 33.329 49.418 1.00 0.00 O ATOM 380 CB LYS A 27 28.894 36.183 49.355 1.00 0.00 C ATOM 381 CG LYS A 27 28.259 37.017 50.455 1.00 0.00 C ATOM 382 CD LYS A 27 27.971 38.433 49.985 1.00 0.00 C ATOM 383 CE LYS A 27 27.769 39.379 51.159 1.00 0.00 C ATOM 384 NZ LYS A 27 26.907 40.538 50.795 1.00 0.00 N ATOM 0 H LYS A 27 31.197 35.111 47.903 1.00 0.00 H new ATOM 0 HA LYS A 27 30.667 36.212 50.570 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.963 36.784 48.448 1.00 0.00 H new ATOM 0 HB3 LYS A 27 28.243 35.338 49.129 1.00 0.00 H new ATOM 0 HG2 LYS A 27 27.332 36.545 50.781 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.923 37.047 51.319 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.797 38.788 49.368 1.00 0.00 H new ATOM 0 HD3 LYS A 27 27.080 38.435 49.357 1.00 0.00 H new ATOM 0 HE2 LYS A 27 27.317 38.836 51.989 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.737 39.741 51.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 26.793 41.159 51.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 27.351 41.071 50.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 25.974 40.194 50.489 1.00 0.00 H new ATOM 398 N GLU A 28 29.475 33.888 51.159 1.00 0.00 N ATOM 399 CA GLU A 28 29.316 32.514 51.621 1.00 0.00 C ATOM 400 C GLU A 28 27.905 32.005 51.340 1.00 0.00 C ATOM 401 O GLU A 28 27.268 31.403 52.204 1.00 0.00 O ATOM 402 CB GLU A 28 29.616 32.418 53.119 1.00 0.00 C ATOM 403 CG GLU A 28 29.972 31.015 53.580 1.00 0.00 C ATOM 404 CD GLU A 28 31.458 30.844 53.833 1.00 0.00 C ATOM 405 OE1 GLU A 28 32.242 30.961 52.869 1.00 0.00 O ATOM 406 OE2 GLU A 28 31.835 30.594 54.997 1.00 0.00 O ATOM 0 H GLU A 28 28.986 34.583 51.723 1.00 0.00 H new ATOM 0 HA GLU A 28 30.024 31.890 51.075 1.00 0.00 H new ATOM 0 HB2 GLU A 28 30.440 33.090 53.360 1.00 0.00 H new ATOM 0 HB3 GLU A 28 28.747 32.765 53.678 1.00 0.00 H new ATOM 0 HG2 GLU A 28 29.423 30.786 54.493 1.00 0.00 H new ATOM 0 HG3 GLU A 28 29.650 30.296 52.826 1.00 0.00 H new ATOM 413 N ALA A 29 27.424 32.252 50.126 1.00 0.00 N ATOM 414 CA ALA A 29 26.090 31.818 49.730 1.00 0.00 C ATOM 415 C ALA A 29 25.841 32.090 48.250 1.00 0.00 C ATOM 416 O ALA A 29 25.290 31.250 47.539 1.00 0.00 O ATOM 417 CB ALA A 29 25.036 32.511 50.580 1.00 0.00 C ATOM 0 H ALA A 29 27.938 32.750 49.400 1.00 0.00 H new ATOM 0 HA ALA A 29 26.022 30.742 49.891 1.00 0.00 H new ATOM 0 HB1 ALA A 29 24.045 32.178 50.273 1.00 0.00 H new ATOM 0 HB2 ALA A 29 25.194 32.263 51.630 1.00 0.00 H new ATOM 0 HB3 ALA A 29 25.113 33.590 50.447 1.00 0.00 H new ATOM 423 N PHE A 30 26.251 33.268 47.793 1.00 0.00 N ATOM 424 CA PHE A 30 26.070 33.651 46.397 1.00 0.00 C ATOM 425 C PHE A 30 27.106 34.691 45.981 1.00 0.00 C ATOM 426 O PHE A 30 27.833 35.229 46.815 1.00 0.00 O ATOM 427 CB PHE A 30 24.660 34.203 46.176 1.00 0.00 C ATOM 428 CG PHE A 30 24.258 35.243 47.182 1.00 0.00 C ATOM 429 CD1 PHE A 30 24.886 36.478 47.211 1.00 0.00 C ATOM 430 CD2 PHE A 30 23.253 34.985 48.100 1.00 0.00 C ATOM 431 CE1 PHE A 30 24.518 37.437 48.135 1.00 0.00 C ATOM 432 CE2 PHE A 30 22.881 35.941 49.027 1.00 0.00 C ATOM 433 CZ PHE A 30 23.515 37.168 49.045 1.00 0.00 C ATOM 0 H PHE A 30 26.711 33.974 48.368 1.00 0.00 H new ATOM 0 HA PHE A 30 26.205 32.762 45.781 1.00 0.00 H new ATOM 0 HB2 PHE A 30 24.600 34.634 45.177 1.00 0.00 H new ATOM 0 HB3 PHE A 30 23.947 33.380 46.212 1.00 0.00 H new ATOM 0 HD1 PHE A 30 25.672 36.693 46.503 1.00 0.00 H new ATOM 0 HD2 PHE A 30 22.755 34.027 48.091 1.00 0.00 H new ATOM 0 HE1 PHE A 30 25.014 38.396 48.145 1.00 0.00 H new ATOM 0 HE2 PHE A 30 22.095 35.728 49.737 1.00 0.00 H new ATOM 0 HZ PHE A 30 23.227 37.915 49.769 1.00 0.00 H new ATOM 443 N GLY A 31 27.168 34.969 44.682 1.00 0.00 N ATOM 444 CA GLY A 31 28.118 35.943 44.176 1.00 0.00 C ATOM 445 C GLY A 31 27.800 36.380 42.760 1.00 0.00 C ATOM 446 O GLY A 31 26.751 36.036 42.216 1.00 0.00 O ATOM 0 H GLY A 31 26.577 34.537 43.971 1.00 0.00 H new ATOM 0 HA2 GLY A 31 28.123 36.815 44.830 1.00 0.00 H new ATOM 0 HA3 GLY A 31 29.121 35.517 44.205 1.00 0.00 H new ATOM 450 N PHE A 32 28.708 37.144 42.160 1.00 0.00 N ATOM 451 CA PHE A 32 28.519 37.632 40.799 1.00 0.00 C ATOM 452 C PHE A 32 29.750 37.348 39.944 1.00 0.00 C ATOM 453 O PHE A 32 30.835 37.087 40.465 1.00 0.00 O ATOM 454 CB PHE A 32 28.226 39.133 40.809 1.00 0.00 C ATOM 455 CG PHE A 32 26.835 39.470 41.266 1.00 0.00 C ATOM 456 CD1 PHE A 32 26.442 39.222 42.572 1.00 0.00 C ATOM 457 CD2 PHE A 32 25.922 40.034 40.391 1.00 0.00 C ATOM 458 CE1 PHE A 32 25.162 39.530 42.994 1.00 0.00 C ATOM 459 CE2 PHE A 32 24.641 40.344 40.808 1.00 0.00 C ATOM 460 CZ PHE A 32 24.261 40.093 42.112 1.00 0.00 C ATOM 0 H PHE A 32 29.582 37.438 42.596 1.00 0.00 H new ATOM 0 HA PHE A 32 27.668 37.106 40.366 1.00 0.00 H new ATOM 0 HB2 PHE A 32 28.944 39.631 41.460 1.00 0.00 H new ATOM 0 HB3 PHE A 32 28.376 39.531 39.805 1.00 0.00 H new ATOM 0 HD1 PHE A 32 27.143 38.784 43.267 1.00 0.00 H new ATOM 0 HD2 PHE A 32 26.214 40.234 39.371 1.00 0.00 H new ATOM 0 HE1 PHE A 32 24.867 39.330 44.013 1.00 0.00 H new ATOM 0 HE2 PHE A 32 23.938 40.782 40.115 1.00 0.00 H new ATOM 0 HZ PHE A 32 23.262 40.337 42.441 1.00 0.00 H new ATOM 470 N ILE A 33 29.573 37.400 38.628 1.00 0.00 N ATOM 471 CA ILE A 33 30.669 37.150 37.700 1.00 0.00 C ATOM 472 C ILE A 33 30.779 38.265 36.665 1.00 0.00 C ATOM 473 O ILE A 33 29.838 38.523 35.915 1.00 0.00 O ATOM 474 CB ILE A 33 30.494 35.804 36.972 1.00 0.00 C ATOM 475 CG1 ILE A 33 30.207 34.688 37.978 1.00 0.00 C ATOM 476 CG2 ILE A 33 31.734 35.480 36.152 1.00 0.00 C ATOM 477 CD1 ILE A 33 29.921 33.351 37.332 1.00 0.00 C ATOM 0 H ILE A 33 28.681 37.613 38.181 1.00 0.00 H new ATOM 0 HA ILE A 33 31.583 37.117 38.293 1.00 0.00 H new ATOM 0 HB ILE A 33 29.644 35.883 36.294 1.00 0.00 H new ATOM 0 HG12 ILE A 33 31.062 34.584 38.646 1.00 0.00 H new ATOM 0 HG13 ILE A 33 29.354 34.975 38.593 1.00 0.00 H new ATOM 0 HG21 ILE A 33 31.595 34.526 35.644 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.897 36.265 35.413 1.00 0.00 H new ATOM 0 HG23 ILE A 33 32.600 35.417 36.811 1.00 0.00 H new ATOM 0 HD11 ILE A 33 29.727 32.608 38.105 1.00 0.00 H new ATOM 0 HD12 ILE A 33 29.048 33.439 36.685 1.00 0.00 H new ATOM 0 HD13 ILE A 33 30.782 33.042 36.739 1.00 0.00 H new ATOM 489 N GLU A 34 31.935 38.921 36.630 1.00 0.00 N ATOM 490 CA GLU A 34 32.167 40.007 35.686 1.00 0.00 C ATOM 491 C GLU A 34 32.338 39.469 34.269 1.00 0.00 C ATOM 492 O GLU A 34 33.359 38.864 33.942 1.00 0.00 O ATOM 493 CB GLU A 34 33.406 40.809 36.092 1.00 0.00 C ATOM 494 CG GLU A 34 33.185 42.312 36.092 1.00 0.00 C ATOM 495 CD GLU A 34 34.225 43.054 35.275 1.00 0.00 C ATOM 496 OE1 GLU A 34 35.422 42.718 35.390 1.00 0.00 O ATOM 497 OE2 GLU A 34 33.841 43.972 34.520 1.00 0.00 O ATOM 0 H GLU A 34 32.724 38.719 37.244 1.00 0.00 H new ATOM 0 HA GLU A 34 31.296 40.662 35.704 1.00 0.00 H new ATOM 0 HB2 GLU A 34 33.720 40.497 37.088 1.00 0.00 H new ATOM 0 HB3 GLU A 34 34.222 40.570 35.410 1.00 0.00 H new ATOM 0 HG2 GLU A 34 32.193 42.530 35.695 1.00 0.00 H new ATOM 0 HG3 GLU A 34 33.205 42.679 37.118 1.00 0.00 H new ATOM 601 N GLU A 41 25.760 41.854 34.158 1.00 0.00 N ATOM 602 CA GLU A 41 26.126 40.926 35.222 1.00 0.00 C ATOM 603 C GLU A 41 24.996 39.938 35.494 1.00 0.00 C ATOM 604 O GLU A 41 23.883 40.098 34.992 1.00 0.00 O ATOM 605 CB GLU A 41 26.468 41.692 36.501 1.00 0.00 C ATOM 606 CG GLU A 41 27.602 42.688 36.330 1.00 0.00 C ATOM 607 CD GLU A 41 27.110 44.119 36.219 1.00 0.00 C ATOM 608 OE1 GLU A 41 26.279 44.526 37.058 1.00 0.00 O ATOM 609 OE2 GLU A 41 27.555 44.830 35.294 1.00 0.00 O ATOM 0 HA GLU A 41 27.003 40.367 34.897 1.00 0.00 H new ATOM 0 HB2 GLU A 41 25.580 42.221 36.846 1.00 0.00 H new ATOM 0 HB3 GLU A 41 26.737 40.979 37.280 1.00 0.00 H new ATOM 0 HG2 GLU A 41 28.283 42.607 37.177 1.00 0.00 H new ATOM 0 HG3 GLU A 41 28.173 42.434 35.437 1.00 0.00 H new ATOM 616 N ILE A 42 25.291 38.916 36.291 1.00 0.00 N ATOM 617 CA ILE A 42 24.300 37.902 36.630 1.00 0.00 C ATOM 618 C ILE A 42 24.466 37.432 38.071 1.00 0.00 C ATOM 619 O ILE A 42 25.481 37.707 38.712 1.00 0.00 O ATOM 620 CB ILE A 42 24.395 36.685 35.691 1.00 0.00 C ATOM 621 CG1 ILE A 42 25.538 35.766 36.126 1.00 0.00 C ATOM 622 CG2 ILE A 42 24.594 37.141 34.253 1.00 0.00 C ATOM 623 CD1 ILE A 42 26.884 36.454 36.171 1.00 0.00 C ATOM 0 H ILE A 42 26.208 38.768 36.714 1.00 0.00 H new ATOM 0 HA ILE A 42 23.321 38.366 36.512 1.00 0.00 H new ATOM 0 HB ILE A 42 23.461 36.126 35.749 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.313 35.362 37.113 1.00 0.00 H new ATOM 0 HG13 ILE A 42 25.594 34.920 35.441 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.659 36.270 33.601 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.751 37.760 33.948 1.00 0.00 H new ATOM 0 HG23 ILE A 42 25.515 37.720 34.179 1.00 0.00 H new ATOM 0 HD11 ILE A 42 27.646 35.742 36.487 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.132 36.834 35.180 1.00 0.00 H new ATOM 0 HD13 ILE A 42 26.846 37.282 36.878 1.00 0.00 H new ATOM 635 N PHE A 43 23.464 36.720 38.575 1.00 0.00 N ATOM 636 CA PHE A 43 23.499 36.210 39.941 1.00 0.00 C ATOM 637 C PHE A 43 23.487 34.684 39.952 1.00 0.00 C ATOM 638 O PHE A 43 22.622 34.054 39.343 1.00 0.00 O ATOM 639 CB PHE A 43 22.308 36.746 40.738 1.00 0.00 C ATOM 640 CG PHE A 43 22.189 36.150 42.112 1.00 0.00 C ATOM 641 CD1 PHE A 43 21.494 34.967 42.310 1.00 0.00 C ATOM 642 CD2 PHE A 43 22.773 36.771 43.204 1.00 0.00 C ATOM 643 CE1 PHE A 43 21.383 34.417 43.573 1.00 0.00 C ATOM 644 CE2 PHE A 43 22.665 36.225 44.469 1.00 0.00 C ATOM 645 CZ PHE A 43 21.970 35.046 44.654 1.00 0.00 C ATOM 0 H PHE A 43 22.617 36.483 38.058 1.00 0.00 H new ATOM 0 HA PHE A 43 24.423 36.552 40.407 1.00 0.00 H new ATOM 0 HB2 PHE A 43 22.398 37.829 40.827 1.00 0.00 H new ATOM 0 HB3 PHE A 43 21.391 36.547 40.184 1.00 0.00 H new ATOM 0 HD1 PHE A 43 21.034 34.470 41.468 1.00 0.00 H new ATOM 0 HD2 PHE A 43 23.319 37.692 43.065 1.00 0.00 H new ATOM 0 HE1 PHE A 43 20.838 33.496 43.715 1.00 0.00 H new ATOM 0 HE2 PHE A 43 23.124 36.720 45.312 1.00 0.00 H new ATOM 0 HZ PHE A 43 21.886 34.617 45.641 1.00 0.00 H new ATOM 655 N PHE A 44 24.454 34.096 40.648 1.00 0.00 N ATOM 656 CA PHE A 44 24.557 32.644 40.738 1.00 0.00 C ATOM 657 C PHE A 44 24.659 32.196 42.193 1.00 0.00 C ATOM 658 O PHE A 44 25.156 32.929 43.048 1.00 0.00 O ATOM 659 CB PHE A 44 25.774 32.149 39.954 1.00 0.00 C ATOM 660 CG PHE A 44 27.083 32.452 40.623 1.00 0.00 C ATOM 661 CD1 PHE A 44 27.703 33.678 40.440 1.00 0.00 C ATOM 662 CD2 PHE A 44 27.695 31.512 41.437 1.00 0.00 C ATOM 663 CE1 PHE A 44 28.908 33.959 41.054 1.00 0.00 C ATOM 664 CE2 PHE A 44 28.900 31.788 42.054 1.00 0.00 C ATOM 665 CZ PHE A 44 29.507 33.014 41.863 1.00 0.00 C ATOM 0 H PHE A 44 25.178 34.602 41.158 1.00 0.00 H new ATOM 0 HA PHE A 44 23.654 32.213 40.305 1.00 0.00 H new ATOM 0 HB2 PHE A 44 25.690 31.072 39.810 1.00 0.00 H new ATOM 0 HB3 PHE A 44 25.768 32.604 38.964 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.239 34.422 39.810 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.224 30.552 41.591 1.00 0.00 H new ATOM 0 HE1 PHE A 44 29.381 34.918 40.901 1.00 0.00 H new ATOM 0 HE2 PHE A 44 29.367 31.046 42.685 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.448 33.233 42.345 1.00 0.00 H new ATOM 675 N HIS A 45 24.183 30.985 42.467 1.00 0.00 N ATOM 676 CA HIS A 45 24.220 30.437 43.819 1.00 0.00 C ATOM 677 C HIS A 45 25.295 29.362 43.940 1.00 0.00 C ATOM 678 O HIS A 45 25.403 28.479 43.088 1.00 0.00 O ATOM 679 CB HIS A 45 22.856 29.856 44.193 1.00 0.00 C ATOM 680 CG HIS A 45 22.359 30.310 45.531 1.00 0.00 C ATOM 681 ND1 HIS A 45 22.686 29.675 46.711 1.00 0.00 N ATOM 682 CD2 HIS A 45 21.555 31.343 45.873 1.00 0.00 C ATOM 683 CE1 HIS A 45 22.104 30.298 47.720 1.00 0.00 C ATOM 684 NE2 HIS A 45 21.411 31.314 47.238 1.00 0.00 N ATOM 0 H HIS A 45 23.768 30.365 41.772 1.00 0.00 H new ATOM 0 HA HIS A 45 24.463 31.247 44.507 1.00 0.00 H new ATOM 0 HB2 HIS A 45 22.129 30.136 43.430 1.00 0.00 H new ATOM 0 HB3 HIS A 45 22.920 28.768 44.188 1.00 0.00 H new ATOM 0 HD2 HIS A 45 21.109 32.058 45.197 1.00 0.00 H new ATOM 0 HE1 HIS A 45 22.182 30.023 48.762 1.00 0.00 H new ATOM 0 HE2 HIS A 45 20.859 31.970 47.790 1.00 0.00 H new ATOM 692 N TYR A 46 26.089 29.443 45.002 1.00 0.00 N ATOM 693 CA TYR A 46 27.158 28.478 45.232 1.00 0.00 C ATOM 694 C TYR A 46 26.626 27.050 45.173 1.00 0.00 C ATOM 695 O TYR A 46 27.346 26.122 44.805 1.00 0.00 O ATOM 696 CB TYR A 46 27.819 28.732 46.588 1.00 0.00 C ATOM 697 CG TYR A 46 28.889 29.801 46.550 1.00 0.00 C ATOM 698 CD1 TYR A 46 28.552 31.148 46.511 1.00 0.00 C ATOM 699 CD2 TYR A 46 30.236 29.462 46.554 1.00 0.00 C ATOM 700 CE1 TYR A 46 29.525 32.127 46.475 1.00 0.00 C ATOM 701 CE2 TYR A 46 31.217 30.435 46.520 1.00 0.00 C ATOM 702 CZ TYR A 46 30.857 31.766 46.480 1.00 0.00 C ATOM 703 OH TYR A 46 31.830 32.738 46.446 1.00 0.00 O ATOM 0 H TYR A 46 26.013 30.167 45.717 1.00 0.00 H new ATOM 0 HA TYR A 46 27.900 28.602 44.444 1.00 0.00 H new ATOM 0 HB2 TYR A 46 27.053 29.022 47.307 1.00 0.00 H new ATOM 0 HB3 TYR A 46 28.259 27.802 46.948 1.00 0.00 H new ATOM 0 HD1 TYR A 46 27.511 31.435 46.509 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.522 28.421 46.584 1.00 0.00 H new ATOM 0 HE1 TYR A 46 29.245 33.170 46.443 1.00 0.00 H new ATOM 0 HE2 TYR A 46 32.260 30.155 46.525 1.00 0.00 H new ATOM 0 HH TYR A 46 31.849 33.212 47.304 1.00 0.00 H new ATOM 713 N SER A 47 25.359 26.882 45.538 1.00 0.00 N ATOM 714 CA SER A 47 24.729 25.567 45.530 1.00 0.00 C ATOM 715 C SER A 47 24.806 24.936 44.143 1.00 0.00 C ATOM 716 O SER A 47 24.911 23.718 44.009 1.00 0.00 O ATOM 717 CB SER A 47 23.268 25.675 45.973 1.00 0.00 C ATOM 718 OG SER A 47 22.577 26.654 45.216 1.00 0.00 O ATOM 0 H SER A 47 24.749 27.640 45.843 1.00 0.00 H new ATOM 0 HA SER A 47 25.268 24.929 46.231 1.00 0.00 H new ATOM 0 HB2 SER A 47 22.777 24.709 45.858 1.00 0.00 H new ATOM 0 HB3 SER A 47 23.224 25.931 47.032 1.00 0.00 H new ATOM 0 HG SER A 47 21.646 26.703 45.517 1.00 0.00 H new ATOM 724 N GLU A 48 24.752 25.776 43.114 1.00 0.00 N ATOM 725 CA GLU A 48 24.815 25.301 41.736 1.00 0.00 C ATOM 726 C GLU A 48 26.262 25.175 41.270 1.00 0.00 C ATOM 727 O GLU A 48 26.576 24.368 40.395 1.00 0.00 O ATOM 728 CB GLU A 48 24.049 26.249 40.811 1.00 0.00 C ATOM 729 CG GLU A 48 22.758 25.659 40.268 1.00 0.00 C ATOM 730 CD GLU A 48 21.678 25.548 41.327 1.00 0.00 C ATOM 731 OE1 GLU A 48 21.913 24.861 42.343 1.00 0.00 O ATOM 732 OE2 GLU A 48 20.598 26.146 41.138 1.00 0.00 O ATOM 0 H GLU A 48 24.665 26.788 43.208 1.00 0.00 H new ATOM 0 HA GLU A 48 24.352 24.315 41.697 1.00 0.00 H new ATOM 0 HB2 GLU A 48 23.819 27.166 41.354 1.00 0.00 H new ATOM 0 HB3 GLU A 48 24.692 26.526 39.975 1.00 0.00 H new ATOM 0 HG2 GLU A 48 22.396 26.279 39.448 1.00 0.00 H new ATOM 0 HG3 GLU A 48 22.960 24.671 39.855 1.00 0.00 H new ATOM 739 N PHE A 49 27.140 25.981 41.859 1.00 0.00 N ATOM 740 CA PHE A 49 28.554 25.962 41.503 1.00 0.00 C ATOM 741 C PHE A 49 29.128 24.555 41.632 1.00 0.00 C ATOM 742 O PHE A 49 28.965 23.896 42.659 1.00 0.00 O ATOM 743 CB PHE A 49 29.338 26.928 42.394 1.00 0.00 C ATOM 744 CG PHE A 49 30.826 26.846 42.203 1.00 0.00 C ATOM 745 CD1 PHE A 49 31.411 27.275 41.023 1.00 0.00 C ATOM 746 CD2 PHE A 49 31.639 26.339 43.204 1.00 0.00 C ATOM 747 CE1 PHE A 49 32.779 27.199 40.845 1.00 0.00 C ATOM 748 CE2 PHE A 49 33.008 26.261 43.032 1.00 0.00 C ATOM 749 CZ PHE A 49 33.579 26.693 41.851 1.00 0.00 C ATOM 0 H PHE A 49 26.897 26.655 42.585 1.00 0.00 H new ATOM 0 HA PHE A 49 28.646 26.279 40.464 1.00 0.00 H new ATOM 0 HB2 PHE A 49 29.009 27.947 42.189 1.00 0.00 H new ATOM 0 HB3 PHE A 49 29.102 26.720 43.438 1.00 0.00 H new ATOM 0 HD1 PHE A 49 30.791 27.673 40.233 1.00 0.00 H new ATOM 0 HD2 PHE A 49 31.197 26.001 44.130 1.00 0.00 H new ATOM 0 HE1 PHE A 49 33.223 27.535 39.920 1.00 0.00 H new ATOM 0 HE2 PHE A 49 33.630 25.863 43.820 1.00 0.00 H new ATOM 0 HZ PHE A 49 34.649 26.635 41.714 1.00 0.00 H new ATOM 759 N LYS A 50 29.801 24.099 40.580 1.00 0.00 N ATOM 760 CA LYS A 50 30.401 22.770 40.573 1.00 0.00 C ATOM 761 C LYS A 50 31.922 22.860 40.496 1.00 0.00 C ATOM 762 O LYS A 50 32.508 22.716 39.424 1.00 0.00 O ATOM 763 CB LYS A 50 29.867 21.953 39.394 1.00 0.00 C ATOM 764 CG LYS A 50 28.361 22.046 39.222 1.00 0.00 C ATOM 765 CD LYS A 50 27.627 21.563 40.461 1.00 0.00 C ATOM 766 CE LYS A 50 27.910 20.094 40.739 1.00 0.00 C ATOM 767 NZ LYS A 50 27.567 19.233 39.573 1.00 0.00 N ATOM 0 H LYS A 50 29.944 24.631 39.721 1.00 0.00 H new ATOM 0 HA LYS A 50 30.131 22.272 41.504 1.00 0.00 H new ATOM 0 HB2 LYS A 50 30.351 22.293 38.478 1.00 0.00 H new ATOM 0 HB3 LYS A 50 30.145 20.908 39.532 1.00 0.00 H new ATOM 0 HG2 LYS A 50 28.081 23.078 39.012 1.00 0.00 H new ATOM 0 HG3 LYS A 50 28.055 21.451 38.362 1.00 0.00 H new ATOM 0 HD2 LYS A 50 27.928 22.162 41.320 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.555 21.710 40.331 1.00 0.00 H new ATOM 0 HE2 LYS A 50 28.964 19.968 40.986 1.00 0.00 H new ATOM 0 HE3 LYS A 50 27.338 19.772 41.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 27.529 18.239 39.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 26.641 19.515 39.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 28.292 19.343 38.835 1.00 0.00 H new ATOM 781 N GLY A 51 32.555 23.098 41.640 1.00 0.00 N ATOM 782 CA GLY A 51 34.002 23.202 41.679 1.00 0.00 C ATOM 783 C GLY A 51 34.561 22.991 43.072 1.00 0.00 C ATOM 784 O GLY A 51 34.110 22.107 43.802 1.00 0.00 O ATOM 0 H GLY A 51 32.092 23.221 42.541 1.00 0.00 H new ATOM 0 HA2 GLY A 51 34.434 22.465 41.002 1.00 0.00 H new ATOM 0 HA3 GLY A 51 34.303 24.185 41.315 1.00 0.00 H new ATOM 788 N ASP A 52 35.546 23.802 43.442 1.00 0.00 N ATOM 789 CA ASP A 52 36.168 23.699 44.757 1.00 0.00 C ATOM 790 C ASP A 52 35.810 24.903 45.623 1.00 0.00 C ATOM 791 O ASP A 52 36.460 25.947 45.554 1.00 0.00 O ATOM 792 CB ASP A 52 37.687 23.588 44.619 1.00 0.00 C ATOM 793 CG ASP A 52 38.101 22.548 43.598 1.00 0.00 C ATOM 794 OD1 ASP A 52 37.611 21.402 43.684 1.00 0.00 O ATOM 795 OD2 ASP A 52 38.915 22.879 42.711 1.00 0.00 O ATOM 0 H ASP A 52 35.931 24.538 42.850 1.00 0.00 H new ATOM 0 HA ASP A 52 35.789 22.800 45.242 1.00 0.00 H new ATOM 0 HB2 ASP A 52 38.095 24.557 44.332 1.00 0.00 H new ATOM 0 HB3 ASP A 52 38.119 23.335 45.587 1.00 0.00 H new ATOM 800 N LEU A 53 34.771 24.751 46.438 1.00 0.00 N ATOM 801 CA LEU A 53 34.325 25.826 47.317 1.00 0.00 C ATOM 802 C LEU A 53 35.351 26.093 48.414 1.00 0.00 C ATOM 803 O LEU A 53 35.308 27.128 49.078 1.00 0.00 O ATOM 804 CB LEU A 53 32.974 25.474 47.941 1.00 0.00 C ATOM 805 CG LEU A 53 31.827 26.443 47.651 1.00 0.00 C ATOM 806 CD1 LEU A 53 30.623 25.696 47.101 1.00 0.00 C ATOM 807 CD2 LEU A 53 31.450 27.214 48.908 1.00 0.00 C ATOM 0 H LEU A 53 34.222 23.894 46.508 1.00 0.00 H new ATOM 0 HA LEU A 53 34.217 26.730 46.718 1.00 0.00 H new ATOM 0 HB2 LEU A 53 32.683 24.483 47.592 1.00 0.00 H new ATOM 0 HB3 LEU A 53 33.102 25.407 49.021 1.00 0.00 H new ATOM 0 HG LEU A 53 32.161 27.156 46.897 1.00 0.00 H new ATOM 0 HD11 LEU A 53 29.817 26.402 46.901 1.00 0.00 H new ATOM 0 HD12 LEU A 53 30.900 25.190 46.176 1.00 0.00 H new ATOM 0 HD13 LEU A 53 30.287 24.960 47.831 1.00 0.00 H new ATOM 0 HD21 LEU A 53 30.632 27.899 48.683 1.00 0.00 H new ATOM 0 HD22 LEU A 53 31.135 26.515 49.683 1.00 0.00 H new ATOM 0 HD23 LEU A 53 32.312 27.781 49.259 1.00 0.00 H new ATOM 819 N GLU A 54 36.273 25.153 48.597 1.00 0.00 N ATOM 820 CA GLU A 54 37.310 25.289 49.612 1.00 0.00 C ATOM 821 C GLU A 54 38.398 26.257 49.154 1.00 0.00 C ATOM 822 O GLU A 54 38.934 27.028 49.950 1.00 0.00 O ATOM 823 CB GLU A 54 37.927 23.924 49.929 1.00 0.00 C ATOM 824 CG GLU A 54 38.506 23.222 48.712 1.00 0.00 C ATOM 825 CD GLU A 54 38.236 21.729 48.717 1.00 0.00 C ATOM 826 OE1 GLU A 54 37.065 21.339 48.906 1.00 0.00 O ATOM 827 OE2 GLU A 54 39.196 20.952 48.533 1.00 0.00 O ATOM 0 H GLU A 54 36.323 24.290 48.056 1.00 0.00 H new ATOM 0 HA GLU A 54 36.848 25.690 50.514 1.00 0.00 H new ATOM 0 HB2 GLU A 54 38.714 24.054 50.672 1.00 0.00 H new ATOM 0 HB3 GLU A 54 37.166 23.286 50.379 1.00 0.00 H new ATOM 0 HG2 GLU A 54 38.083 23.661 47.808 1.00 0.00 H new ATOM 0 HG3 GLU A 54 39.582 23.393 48.676 1.00 0.00 H new ATOM 834 N THR A 55 38.719 26.209 47.865 1.00 0.00 N ATOM 835 CA THR A 55 39.743 27.079 47.300 1.00 0.00 C ATOM 836 C THR A 55 39.216 27.829 46.082 1.00 0.00 C ATOM 837 O THR A 55 39.346 27.364 44.949 1.00 0.00 O ATOM 838 CB THR A 55 40.997 26.282 46.895 1.00 0.00 C ATOM 839 OG1 THR A 55 40.665 25.332 45.876 1.00 0.00 O ATOM 840 CG2 THR A 55 41.590 25.560 48.095 1.00 0.00 C ATOM 0 H THR A 55 38.285 25.577 47.193 1.00 0.00 H new ATOM 0 HA THR A 55 40.012 27.795 48.076 1.00 0.00 H new ATOM 0 HB THR A 55 41.738 26.983 46.510 1.00 0.00 H new ATOM 0 HG1 THR A 55 40.068 25.750 45.221 1.00 0.00 H new ATOM 0 HG21 THR A 55 42.475 25.004 47.784 1.00 0.00 H new ATOM 0 HG22 THR A 55 41.868 26.288 48.857 1.00 0.00 H new ATOM 0 HG23 THR A 55 40.853 24.870 48.505 1.00 0.00 H new ATOM 848 N LEU A 56 38.620 28.992 46.322 1.00 0.00 N ATOM 849 CA LEU A 56 38.074 29.808 45.243 1.00 0.00 C ATOM 850 C LEU A 56 38.230 31.294 45.551 1.00 0.00 C ATOM 851 O LEU A 56 37.343 31.911 46.141 1.00 0.00 O ATOM 852 CB LEU A 56 36.597 29.474 45.022 1.00 0.00 C ATOM 853 CG LEU A 56 35.839 30.388 44.058 1.00 0.00 C ATOM 854 CD1 LEU A 56 36.257 30.114 42.622 1.00 0.00 C ATOM 855 CD2 LEU A 56 34.337 30.207 44.222 1.00 0.00 C ATOM 0 H LEU A 56 38.503 29.391 47.253 1.00 0.00 H new ATOM 0 HA LEU A 56 38.631 29.584 44.334 1.00 0.00 H new ATOM 0 HB2 LEU A 56 36.528 28.451 44.651 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.091 29.498 45.987 1.00 0.00 H new ATOM 0 HG LEU A 56 36.089 31.422 44.296 1.00 0.00 H new ATOM 0 HD11 LEU A 56 35.707 30.774 41.951 1.00 0.00 H new ATOM 0 HD12 LEU A 56 37.326 30.295 42.513 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.038 29.076 42.371 1.00 0.00 H new ATOM 0 HD21 LEU A 56 33.813 30.865 43.528 1.00 0.00 H new ATOM 0 HD22 LEU A 56 34.070 29.171 44.011 1.00 0.00 H new ATOM 0 HD23 LEU A 56 34.050 30.455 45.244 1.00 0.00 H new ATOM 867 N GLN A 57 39.361 31.862 45.146 1.00 0.00 N ATOM 868 CA GLN A 57 39.632 33.275 45.378 1.00 0.00 C ATOM 869 C GLN A 57 40.985 33.673 44.798 1.00 0.00 C ATOM 870 O GLN A 57 41.857 32.836 44.562 1.00 0.00 O ATOM 871 CB GLN A 57 39.595 33.584 46.876 1.00 0.00 C ATOM 872 CG GLN A 57 40.095 32.442 47.745 1.00 0.00 C ATOM 873 CD GLN A 57 40.684 32.922 49.057 1.00 0.00 C ATOM 874 OE1 GLN A 57 39.965 33.387 49.941 1.00 0.00 O ATOM 875 NE2 GLN A 57 42.001 32.810 49.190 1.00 0.00 N ATOM 0 H GLN A 57 40.104 31.365 44.655 1.00 0.00 H new ATOM 0 HA GLN A 57 38.858 33.854 44.875 1.00 0.00 H new ATOM 0 HB2 GLN A 57 40.200 34.470 47.071 1.00 0.00 H new ATOM 0 HB3 GLN A 57 38.572 33.827 47.163 1.00 0.00 H new ATOM 0 HG2 GLN A 57 39.271 31.758 47.949 1.00 0.00 H new ATOM 0 HG3 GLN A 57 40.849 31.877 47.197 1.00 0.00 H new ATOM 0 HE21 GLN A 57 42.559 32.418 48.431 1.00 0.00 H new ATOM 0 HE22 GLN A 57 42.454 33.116 50.051 1.00 0.00 H new ATOM 884 N PRO A 58 41.167 34.981 44.562 1.00 0.00 N ATOM 885 CA PRO A 58 40.136 35.986 44.838 1.00 0.00 C ATOM 886 C PRO A 58 38.951 35.878 43.884 1.00 0.00 C ATOM 887 O PRO A 58 37.807 36.112 44.272 1.00 0.00 O ATOM 888 CB PRO A 58 40.871 37.313 44.630 1.00 0.00 C ATOM 889 CG PRO A 58 41.979 36.989 43.689 1.00 0.00 C ATOM 890 CD PRO A 58 42.392 35.579 44.006 1.00 0.00 C ATOM 0 HA PRO A 58 39.710 35.870 45.834 1.00 0.00 H new ATOM 0 HB2 PRO A 58 40.208 38.072 44.215 1.00 0.00 H new ATOM 0 HB3 PRO A 58 41.254 37.705 45.572 1.00 0.00 H new ATOM 0 HG2 PRO A 58 41.650 37.076 42.654 1.00 0.00 H new ATOM 0 HG3 PRO A 58 42.814 37.678 43.817 1.00 0.00 H new ATOM 0 HD2 PRO A 58 42.729 35.049 43.115 1.00 0.00 H new ATOM 0 HD3 PRO A 58 43.213 35.552 44.722 1.00 0.00 H new ATOM 898 N GLY A 59 39.233 35.522 42.634 1.00 0.00 N ATOM 899 CA GLY A 59 38.180 35.389 41.645 1.00 0.00 C ATOM 900 C GLY A 59 38.600 34.543 40.460 1.00 0.00 C ATOM 901 O GLY A 59 38.876 35.068 39.381 1.00 0.00 O ATOM 0 H GLY A 59 40.172 35.323 42.289 1.00 0.00 H new ATOM 0 HA2 GLY A 59 37.302 34.944 42.112 1.00 0.00 H new ATOM 0 HA3 GLY A 59 37.888 36.379 41.295 1.00 0.00 H new ATOM 905 N ASP A 60 38.651 33.231 40.661 1.00 0.00 N ATOM 906 CA ASP A 60 39.042 32.310 39.600 1.00 0.00 C ATOM 907 C ASP A 60 38.030 32.334 38.459 1.00 0.00 C ATOM 908 O ASP A 60 36.831 32.498 38.684 1.00 0.00 O ATOM 909 CB ASP A 60 39.174 30.890 40.152 1.00 0.00 C ATOM 910 CG ASP A 60 40.620 30.463 40.312 1.00 0.00 C ATOM 911 OD1 ASP A 60 41.330 30.375 39.288 1.00 0.00 O ATOM 912 OD2 ASP A 60 41.042 30.217 41.461 1.00 0.00 O ATOM 0 H ASP A 60 38.427 32.781 41.549 1.00 0.00 H new ATOM 0 HA ASP A 60 40.008 32.632 39.211 1.00 0.00 H new ATOM 0 HB2 ASP A 60 38.672 30.831 41.118 1.00 0.00 H new ATOM 0 HB3 ASP A 60 38.665 30.195 39.484 1.00 0.00 H new ATOM 917 N ASP A 61 38.521 32.171 37.236 1.00 0.00 N ATOM 918 CA ASP A 61 37.660 32.173 36.059 1.00 0.00 C ATOM 919 C ASP A 61 36.589 31.092 36.167 1.00 0.00 C ATOM 920 O ASP A 61 36.882 29.946 36.509 1.00 0.00 O ATOM 921 CB ASP A 61 38.490 31.962 34.792 1.00 0.00 C ATOM 922 CG ASP A 61 39.676 32.903 34.714 1.00 0.00 C ATOM 923 OD1 ASP A 61 39.480 34.075 34.327 1.00 0.00 O ATOM 924 OD2 ASP A 61 40.800 32.469 35.040 1.00 0.00 O ATOM 0 H ASP A 61 39.511 32.036 37.033 1.00 0.00 H new ATOM 0 HA ASP A 61 37.167 33.143 36.002 1.00 0.00 H new ATOM 0 HB2 ASP A 61 38.845 30.932 34.761 1.00 0.00 H new ATOM 0 HB3 ASP A 61 37.856 32.108 33.917 1.00 0.00 H new ATOM 929 N VAL A 62 35.347 31.464 35.873 1.00 0.00 N ATOM 930 CA VAL A 62 34.233 30.526 35.937 1.00 0.00 C ATOM 931 C VAL A 62 33.344 30.644 34.704 1.00 0.00 C ATOM 932 O VAL A 62 33.286 31.696 34.068 1.00 0.00 O ATOM 933 CB VAL A 62 33.378 30.755 37.197 1.00 0.00 C ATOM 934 CG1 VAL A 62 34.104 30.252 38.435 1.00 0.00 C ATOM 935 CG2 VAL A 62 33.023 32.228 37.339 1.00 0.00 C ATOM 0 H VAL A 62 35.087 32.408 35.588 1.00 0.00 H new ATOM 0 HA VAL A 62 34.664 29.525 35.977 1.00 0.00 H new ATOM 0 HB VAL A 62 32.452 30.189 37.094 1.00 0.00 H new ATOM 0 HG11 VAL A 62 33.484 30.423 39.315 1.00 0.00 H new ATOM 0 HG12 VAL A 62 34.302 29.185 38.332 1.00 0.00 H new ATOM 0 HG13 VAL A 62 35.047 30.787 38.546 1.00 0.00 H new ATOM 0 HG21 VAL A 62 32.419 32.372 38.235 1.00 0.00 H new ATOM 0 HG22 VAL A 62 33.937 32.816 37.420 1.00 0.00 H new ATOM 0 HG23 VAL A 62 32.459 32.552 36.465 1.00 0.00 H new ATOM 945 N GLU A 63 32.653 29.558 34.373 1.00 0.00 N ATOM 946 CA GLU A 63 31.766 29.541 33.216 1.00 0.00 C ATOM 947 C GLU A 63 30.308 29.427 33.649 1.00 0.00 C ATOM 948 O GLU A 63 29.992 28.764 34.637 1.00 0.00 O ATOM 949 CB GLU A 63 32.126 28.379 32.287 1.00 0.00 C ATOM 950 CG GLU A 63 31.262 28.307 31.039 1.00 0.00 C ATOM 951 CD GLU A 63 30.228 27.201 31.108 1.00 0.00 C ATOM 952 OE1 GLU A 63 30.593 26.072 31.500 1.00 0.00 O ATOM 953 OE2 GLU A 63 29.055 27.462 30.771 1.00 0.00 O ATOM 0 H GLU A 63 32.690 28.679 34.889 1.00 0.00 H new ATOM 0 HA GLU A 63 31.894 30.480 32.678 1.00 0.00 H new ATOM 0 HB2 GLU A 63 33.171 28.472 31.990 1.00 0.00 H new ATOM 0 HB3 GLU A 63 32.033 27.443 32.837 1.00 0.00 H new ATOM 0 HG2 GLU A 63 30.757 29.262 30.896 1.00 0.00 H new ATOM 0 HG3 GLU A 63 31.899 28.149 30.169 1.00 0.00 H new ATOM 960 N PHE A 64 29.422 30.079 32.903 1.00 0.00 N ATOM 961 CA PHE A 64 27.997 30.053 33.210 1.00 0.00 C ATOM 962 C PHE A 64 27.164 30.171 31.937 1.00 0.00 C ATOM 963 O PHE A 64 27.680 30.517 30.873 1.00 0.00 O ATOM 964 CB PHE A 64 27.640 31.187 34.173 1.00 0.00 C ATOM 965 CG PHE A 64 27.998 32.550 33.653 1.00 0.00 C ATOM 966 CD1 PHE A 64 27.173 33.199 32.749 1.00 0.00 C ATOM 967 CD2 PHE A 64 29.159 33.181 34.068 1.00 0.00 C ATOM 968 CE1 PHE A 64 27.499 34.454 32.269 1.00 0.00 C ATOM 969 CE2 PHE A 64 29.490 34.436 33.591 1.00 0.00 C ATOM 970 CZ PHE A 64 28.660 35.072 32.690 1.00 0.00 C ATOM 0 H PHE A 64 29.666 30.632 32.081 1.00 0.00 H new ATOM 0 HA PHE A 64 27.771 29.098 33.684 1.00 0.00 H new ATOM 0 HB2 PHE A 64 26.570 31.155 34.379 1.00 0.00 H new ATOM 0 HB3 PHE A 64 28.152 31.023 35.121 1.00 0.00 H new ATOM 0 HD1 PHE A 64 26.265 32.719 32.415 1.00 0.00 H new ATOM 0 HD2 PHE A 64 29.813 32.687 34.772 1.00 0.00 H new ATOM 0 HE1 PHE A 64 26.847 34.950 31.566 1.00 0.00 H new ATOM 0 HE2 PHE A 64 30.397 34.918 33.923 1.00 0.00 H new ATOM 0 HZ PHE A 64 28.918 36.051 32.315 1.00 0.00 H new ATOM 980 N THR A 65 25.872 29.881 32.053 1.00 0.00 N ATOM 981 CA THR A 65 24.967 29.952 30.912 1.00 0.00 C ATOM 982 C THR A 65 23.833 30.937 31.171 1.00 0.00 C ATOM 983 O THR A 65 23.342 31.051 32.295 1.00 0.00 O ATOM 984 CB THR A 65 24.368 28.572 30.583 1.00 0.00 C ATOM 985 OG1 THR A 65 23.656 28.630 29.342 1.00 0.00 O ATOM 986 CG2 THR A 65 23.431 28.111 31.690 1.00 0.00 C ATOM 0 H THR A 65 25.429 29.595 32.926 1.00 0.00 H new ATOM 0 HA THR A 65 25.556 30.296 30.062 1.00 0.00 H new ATOM 0 HB THR A 65 25.186 27.856 30.499 1.00 0.00 H new ATOM 0 HG1 THR A 65 23.280 27.748 29.139 1.00 0.00 H new ATOM 0 HG21 THR A 65 23.020 27.134 31.435 1.00 0.00 H new ATOM 0 HG22 THR A 65 23.983 28.040 32.627 1.00 0.00 H new ATOM 0 HG23 THR A 65 22.618 28.829 31.801 1.00 0.00 H new ATOM 994 N ILE A 66 23.421 31.646 30.126 1.00 0.00 N ATOM 995 CA ILE A 66 22.343 32.620 30.241 1.00 0.00 C ATOM 996 C ILE A 66 21.046 32.078 29.650 1.00 0.00 C ATOM 997 O ILE A 66 20.967 31.793 28.455 1.00 0.00 O ATOM 998 CB ILE A 66 22.701 33.942 29.537 1.00 0.00 C ATOM 999 CG1 ILE A 66 24.073 34.436 29.999 1.00 0.00 C ATOM 1000 CG2 ILE A 66 21.635 34.993 29.808 1.00 0.00 C ATOM 1001 CD1 ILE A 66 24.161 34.669 31.491 1.00 0.00 C ATOM 0 H ILE A 66 23.817 31.564 29.190 1.00 0.00 H new ATOM 0 HA ILE A 66 22.203 32.810 31.305 1.00 0.00 H new ATOM 0 HB ILE A 66 22.743 33.764 28.462 1.00 0.00 H new ATOM 0 HG12 ILE A 66 24.829 33.707 29.708 1.00 0.00 H new ATOM 0 HG13 ILE A 66 24.309 35.365 29.480 1.00 0.00 H new ATOM 0 HG21 ILE A 66 21.903 35.921 29.304 1.00 0.00 H new ATOM 0 HG22 ILE A 66 20.674 34.641 29.434 1.00 0.00 H new ATOM 0 HG23 ILE A 66 21.564 35.171 30.881 1.00 0.00 H new ATOM 0 HD11 ILE A 66 25.162 35.018 31.746 1.00 0.00 H new ATOM 0 HD12 ILE A 66 23.428 35.420 31.786 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.957 33.737 32.018 1.00 0.00 H new ATOM 1013 N LYS A 67 20.030 31.938 30.495 1.00 0.00 N ATOM 1014 CA LYS A 67 18.734 31.433 30.057 1.00 0.00 C ATOM 1015 C LYS A 67 17.899 32.546 29.432 1.00 0.00 C ATOM 1016 O LYS A 67 18.382 33.661 29.236 1.00 0.00 O ATOM 1017 CB LYS A 67 17.980 30.816 31.237 1.00 0.00 C ATOM 1018 CG LYS A 67 18.741 29.699 31.929 1.00 0.00 C ATOM 1019 CD LYS A 67 18.800 28.448 31.068 1.00 0.00 C ATOM 1020 CE LYS A 67 19.790 27.436 31.623 1.00 0.00 C ATOM 1021 NZ LYS A 67 19.154 26.524 32.614 1.00 0.00 N ATOM 0 H LYS A 67 20.079 32.167 31.488 1.00 0.00 H new ATOM 0 HA LYS A 67 18.907 30.666 29.302 1.00 0.00 H new ATOM 0 HB2 LYS A 67 17.758 31.597 31.964 1.00 0.00 H new ATOM 0 HB3 LYS A 67 17.024 30.428 30.884 1.00 0.00 H new ATOM 0 HG2 LYS A 67 19.753 30.034 32.156 1.00 0.00 H new ATOM 0 HG3 LYS A 67 18.262 29.465 32.880 1.00 0.00 H new ATOM 0 HD2 LYS A 67 17.809 27.997 31.012 1.00 0.00 H new ATOM 0 HD3 LYS A 67 19.085 28.718 30.051 1.00 0.00 H new ATOM 0 HE2 LYS A 67 20.207 26.849 30.804 1.00 0.00 H new ATOM 0 HE3 LYS A 67 20.621 27.961 32.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.861 25.849 32.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.779 27.081 33.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.377 26.004 32.158 1.00 0.00 H new ATOM 1129 N VAL A 74 20.088 35.323 35.273 1.00 0.00 N ATOM 1130 CA VAL A 74 20.860 34.637 36.301 1.00 0.00 C ATOM 1131 C VAL A 74 21.662 33.484 35.709 1.00 0.00 C ATOM 1132 O VAL A 74 21.265 32.888 34.708 1.00 0.00 O ATOM 1133 CB VAL A 74 19.949 34.094 37.418 1.00 0.00 C ATOM 1134 CG1 VAL A 74 19.389 35.236 38.253 1.00 0.00 C ATOM 1135 CG2 VAL A 74 18.826 33.254 36.829 1.00 0.00 C ATOM 0 HA VAL A 74 21.545 35.371 36.725 1.00 0.00 H new ATOM 0 HB VAL A 74 20.545 33.456 38.071 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.748 34.833 39.037 1.00 0.00 H new ATOM 0 HG12 VAL A 74 20.210 35.792 38.706 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.808 35.902 37.615 1.00 0.00 H new ATOM 0 HG21 VAL A 74 18.192 32.879 37.633 1.00 0.00 H new ATOM 0 HG22 VAL A 74 18.230 33.867 36.153 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.250 32.414 36.279 1.00 0.00 H new ATOM 1145 N ALA A 75 22.792 33.173 36.335 1.00 0.00 N ATOM 1146 CA ALA A 75 23.649 32.089 35.872 1.00 0.00 C ATOM 1147 C ALA A 75 23.261 30.766 36.523 1.00 0.00 C ATOM 1148 O ALA A 75 23.067 30.692 37.737 1.00 0.00 O ATOM 1149 CB ALA A 75 25.108 32.411 36.156 1.00 0.00 C ATOM 0 H ALA A 75 23.135 33.657 37.165 1.00 0.00 H new ATOM 0 HA ALA A 75 23.514 31.987 34.795 1.00 0.00 H new ATOM 0 HB1 ALA A 75 25.736 31.592 35.805 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.385 33.329 35.638 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.249 32.542 37.229 1.00 0.00 H new ATOM 1155 N THR A 76 23.148 29.721 35.709 1.00 0.00 N ATOM 1156 CA THR A 76 22.782 28.401 36.205 1.00 0.00 C ATOM 1157 C THR A 76 23.855 27.370 35.872 1.00 0.00 C ATOM 1158 O THR A 76 24.444 27.401 34.792 1.00 0.00 O ATOM 1159 CB THR A 76 21.437 27.933 35.617 1.00 0.00 C ATOM 1160 OG1 THR A 76 20.869 28.970 34.809 1.00 0.00 O ATOM 1161 CG2 THR A 76 20.464 27.555 36.724 1.00 0.00 C ATOM 0 H THR A 76 23.305 29.764 34.702 1.00 0.00 H new ATOM 0 HA THR A 76 22.688 28.486 37.288 1.00 0.00 H new ATOM 0 HB THR A 76 21.621 27.053 35.001 1.00 0.00 H new ATOM 0 HG1 THR A 76 20.015 28.665 34.437 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.522 27.228 36.284 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.887 26.746 37.319 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.285 28.420 37.362 1.00 0.00 H new ATOM 1169 N ASP A 77 24.103 26.460 36.807 1.00 0.00 N ATOM 1170 CA ASP A 77 25.105 25.418 36.611 1.00 0.00 C ATOM 1171 C ASP A 77 26.469 26.027 36.301 1.00 0.00 C ATOM 1172 O ASP A 77 26.982 25.893 35.190 1.00 0.00 O ATOM 1173 CB ASP A 77 24.682 24.479 35.480 1.00 0.00 C ATOM 1174 CG ASP A 77 23.712 23.411 35.946 1.00 0.00 C ATOM 1175 OD1 ASP A 77 23.219 23.516 37.088 1.00 0.00 O ATOM 1176 OD2 ASP A 77 23.447 22.470 35.169 1.00 0.00 O ATOM 0 H ASP A 77 23.625 26.422 37.707 1.00 0.00 H new ATOM 0 HA ASP A 77 25.184 24.846 37.536 1.00 0.00 H new ATOM 0 HB2 ASP A 77 24.221 25.061 34.682 1.00 0.00 H new ATOM 0 HB3 ASP A 77 25.567 24.003 35.057 1.00 0.00 H new ATOM 1181 N VAL A 78 27.051 26.698 37.289 1.00 0.00 N ATOM 1182 CA VAL A 78 28.355 27.328 37.122 1.00 0.00 C ATOM 1183 C VAL A 78 29.481 26.317 37.305 1.00 0.00 C ATOM 1184 O VAL A 78 29.448 25.493 38.219 1.00 0.00 O ATOM 1185 CB VAL A 78 28.552 28.485 38.120 1.00 0.00 C ATOM 1186 CG1 VAL A 78 29.939 29.090 37.968 1.00 0.00 C ATOM 1187 CG2 VAL A 78 27.476 29.543 37.927 1.00 0.00 C ATOM 0 H VAL A 78 26.640 26.820 38.214 1.00 0.00 H new ATOM 0 HA VAL A 78 28.387 27.724 36.107 1.00 0.00 H new ATOM 0 HB VAL A 78 28.463 28.089 39.132 1.00 0.00 H new ATOM 0 HG11 VAL A 78 30.060 29.906 38.681 1.00 0.00 H new ATOM 0 HG12 VAL A 78 30.692 28.326 38.159 1.00 0.00 H new ATOM 0 HG13 VAL A 78 30.060 29.473 36.955 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.630 30.353 38.640 1.00 0.00 H new ATOM 0 HG22 VAL A 78 27.531 29.937 36.912 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.495 29.098 38.090 1.00 0.00 H new ATOM 1197 N ARG A 79 30.479 26.385 36.429 1.00 0.00 N ATOM 1198 CA ARG A 79 31.616 25.475 36.493 1.00 0.00 C ATOM 1199 C ARG A 79 32.929 26.233 36.320 1.00 0.00 C ATOM 1200 O ARG A 79 33.077 27.037 35.399 1.00 0.00 O ATOM 1201 CB ARG A 79 31.492 24.394 35.417 1.00 0.00 C ATOM 1202 CG ARG A 79 30.251 23.530 35.563 1.00 0.00 C ATOM 1203 CD ARG A 79 29.363 23.619 34.331 1.00 0.00 C ATOM 1204 NE ARG A 79 28.712 22.346 34.033 1.00 0.00 N ATOM 1205 CZ ARG A 79 27.818 22.187 33.063 1.00 0.00 C ATOM 1206 NH1 ARG A 79 27.471 23.216 32.302 1.00 0.00 N ATOM 1207 NH2 ARG A 79 27.269 20.997 32.853 1.00 0.00 N ATOM 0 H ARG A 79 30.523 27.061 35.667 1.00 0.00 H new ATOM 0 HA ARG A 79 31.617 25.002 37.475 1.00 0.00 H new ATOM 0 HB2 ARG A 79 31.480 24.869 34.436 1.00 0.00 H new ATOM 0 HB3 ARG A 79 32.375 23.756 35.452 1.00 0.00 H new ATOM 0 HG2 ARG A 79 30.545 22.493 35.727 1.00 0.00 H new ATOM 0 HG3 ARG A 79 29.688 23.845 36.442 1.00 0.00 H new ATOM 0 HD2 ARG A 79 28.605 24.387 34.485 1.00 0.00 H new ATOM 0 HD3 ARG A 79 29.961 23.930 33.474 1.00 0.00 H new ATOM 0 HE ARG A 79 28.957 21.535 34.601 1.00 0.00 H new ATOM 0 HH11 ARG A 79 27.891 24.132 32.461 1.00 0.00 H new ATOM 0 HH12 ARG A 79 26.784 23.091 31.558 1.00 0.00 H new ATOM 0 HH21 ARG A 79 27.533 20.203 33.437 1.00 0.00 H new ATOM 0 HH22 ARG A 79 26.583 20.876 32.108 1.00 0.00 H new ATOM 1221 N LEU A 80 33.879 25.970 37.210 1.00 0.00 N ATOM 1222 CA LEU A 80 35.180 26.627 37.156 1.00 0.00 C ATOM 1223 C LEU A 80 35.826 26.446 35.786 1.00 0.00 C ATOM 1224 O LEU A 80 35.631 25.424 35.127 1.00 0.00 O ATOM 1225 CB LEU A 80 36.100 26.070 38.244 1.00 0.00 C ATOM 1226 CG LEU A 80 36.269 26.939 39.491 1.00 0.00 C ATOM 1227 CD1 LEU A 80 36.965 26.159 40.595 1.00 0.00 C ATOM 1228 CD2 LEU A 80 37.046 28.205 39.157 1.00 0.00 C ATOM 0 H LEU A 80 33.773 25.307 37.978 1.00 0.00 H new ATOM 0 HA LEU A 80 35.028 27.693 37.327 1.00 0.00 H new ATOM 0 HB2 LEU A 80 35.717 25.097 38.553 1.00 0.00 H new ATOM 0 HB3 LEU A 80 37.084 25.901 37.808 1.00 0.00 H new ATOM 0 HG LEU A 80 35.280 27.227 39.847 1.00 0.00 H new ATOM 0 HD11 LEU A 80 37.076 26.794 41.474 1.00 0.00 H new ATOM 0 HD12 LEU A 80 36.369 25.283 40.853 1.00 0.00 H new ATOM 0 HD13 LEU A 80 37.949 25.840 40.251 1.00 0.00 H new ATOM 0 HD21 LEU A 80 37.157 28.812 40.056 1.00 0.00 H new ATOM 0 HD22 LEU A 80 38.032 27.937 38.776 1.00 0.00 H new ATOM 0 HD23 LEU A 80 36.507 28.774 38.400 1.00 0.00 H new ATOM 1240 N LEU A 81 36.597 27.442 35.365 1.00 0.00 N ATOM 1241 CA LEU A 81 37.274 27.392 34.074 1.00 0.00 C ATOM 1242 C LEU A 81 38.663 26.777 34.211 1.00 0.00 C ATOM 1243 O LEU A 81 39.249 26.742 35.293 1.00 0.00 O ATOM 1244 CB LEU A 81 37.382 28.797 33.477 1.00 0.00 C ATOM 1245 CG LEU A 81 36.151 29.303 32.725 1.00 0.00 C ATOM 1246 CD1 LEU A 81 36.328 30.762 32.332 1.00 0.00 C ATOM 1247 CD2 LEU A 81 35.886 28.446 31.496 1.00 0.00 C ATOM 0 H LEU A 81 36.769 28.294 35.899 1.00 0.00 H new ATOM 0 HA LEU A 81 36.683 26.765 33.406 1.00 0.00 H new ATOM 0 HB2 LEU A 81 37.604 29.496 34.283 1.00 0.00 H new ATOM 0 HB3 LEU A 81 38.233 28.816 32.796 1.00 0.00 H new ATOM 0 HG LEU A 81 35.289 29.228 33.387 1.00 0.00 H new ATOM 0 HD11 LEU A 81 35.442 31.105 31.798 1.00 0.00 H new ATOM 0 HD12 LEU A 81 36.468 31.366 33.229 1.00 0.00 H new ATOM 0 HD13 LEU A 81 37.202 30.862 31.688 1.00 0.00 H new ATOM 0 HD21 LEU A 81 35.006 28.821 30.974 1.00 0.00 H new ATOM 0 HD22 LEU A 81 36.748 28.488 30.831 1.00 0.00 H new ATOM 0 HD23 LEU A 81 35.714 27.414 31.802 1.00 0.00 H new ATOM 1259 N PRO A 82 39.205 26.283 33.088 1.00 0.00 N ATOM 1260 CA PRO A 82 40.533 25.664 33.056 1.00 0.00 C ATOM 1261 C PRO A 82 41.652 26.679 33.267 1.00 0.00 C ATOM 1262 O PRO A 82 41.429 27.886 33.185 1.00 0.00 O ATOM 1263 CB PRO A 82 40.612 25.065 31.650 1.00 0.00 C ATOM 1264 CG PRO A 82 39.676 25.889 30.835 1.00 0.00 C ATOM 1265 CD PRO A 82 38.564 26.292 31.762 1.00 0.00 C ATOM 0 HA PRO A 82 40.660 24.932 33.854 1.00 0.00 H new ATOM 0 HB2 PRO A 82 41.627 25.112 31.256 1.00 0.00 H new ATOM 0 HB3 PRO A 82 40.319 24.015 31.650 1.00 0.00 H new ATOM 0 HG2 PRO A 82 40.181 26.765 30.428 1.00 0.00 H new ATOM 0 HG3 PRO A 82 39.291 25.320 29.988 1.00 0.00 H new ATOM 0 HD2 PRO A 82 38.170 27.277 31.513 1.00 0.00 H new ATOM 0 HD3 PRO A 82 37.728 25.594 31.715 1.00 0.00 H new