USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=8 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 Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.062 K(o=-0.062,f=-0.72) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -158:sc= -0.363 (180deg=-1.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.515 X(o=-0.52,f=-0.87) USER MOD Single : A 46 TYR OH : rot 75:sc= 0.0526 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 52:sc= 1.13 USER MOD Single : A 57 GLN : amide:sc= -0.201 K(o=-0.2,f=-2.3!) 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 29.299 31.791 27.998 1.00 0.00 N ATOM 272 CA CYS A 19 29.545 33.035 28.719 1.00 0.00 C ATOM 273 C CYS A 19 30.366 32.781 29.978 1.00 0.00 C ATOM 274 O CYS A 19 29.989 31.968 30.822 1.00 0.00 O ATOM 275 CB CYS A 19 28.221 33.706 29.086 1.00 0.00 C ATOM 276 SG CYS A 19 27.289 34.328 27.667 1.00 0.00 S ATOM 0 HA CYS A 19 30.112 33.698 28.066 1.00 0.00 H new ATOM 0 HB2 CYS A 19 27.602 32.991 29.628 1.00 0.00 H new ATOM 0 HB3 CYS A 19 28.422 34.534 29.766 1.00 0.00 H new ATOM 0 HG CYS A 19 26.185 34.876 28.080 1.00 0.00 H new ATOM 282 N GLN A 20 31.491 33.479 30.096 1.00 0.00 N ATOM 283 CA GLN A 20 32.367 33.326 31.252 1.00 0.00 C ATOM 284 C GLN A 20 32.828 34.684 31.769 1.00 0.00 C ATOM 285 O GLN A 20 32.665 35.703 31.099 1.00 0.00 O ATOM 286 CB GLN A 20 33.579 32.467 30.889 1.00 0.00 C ATOM 287 CG GLN A 20 34.486 33.102 29.847 1.00 0.00 C ATOM 288 CD GLN A 20 34.678 32.223 28.627 1.00 0.00 C ATOM 289 OE1 GLN A 20 33.742 31.570 28.164 1.00 0.00 O ATOM 290 NE2 GLN A 20 35.896 32.201 28.099 1.00 0.00 N ATOM 0 H GLN A 20 31.817 34.156 29.406 1.00 0.00 H new ATOM 0 HA GLN A 20 31.802 32.830 32.041 1.00 0.00 H new ATOM 0 HB2 GLN A 20 34.158 32.271 31.791 1.00 0.00 H new ATOM 0 HB3 GLN A 20 33.232 31.503 30.517 1.00 0.00 H new ATOM 0 HG2 GLN A 20 34.064 34.058 29.538 1.00 0.00 H new ATOM 0 HG3 GLN A 20 35.457 33.312 30.295 1.00 0.00 H new ATOM 0 HE21 GLN A 20 36.642 32.758 28.515 1.00 0.00 H new ATOM 0 HE22 GLN A 20 36.085 31.627 27.277 1.00 0.00 H new ATOM 299 N GLY A 21 33.405 34.692 32.967 1.00 0.00 N ATOM 300 CA GLY A 21 33.880 35.931 33.554 1.00 0.00 C ATOM 301 C GLY A 21 34.781 35.697 34.751 1.00 0.00 C ATOM 302 O GLY A 21 35.495 34.697 34.814 1.00 0.00 O ATOM 0 H GLY A 21 33.552 33.862 33.541 1.00 0.00 H new ATOM 0 HA2 GLY A 21 34.423 36.502 32.801 1.00 0.00 H new ATOM 0 HA3 GLY A 21 33.026 36.536 33.859 1.00 0.00 H new ATOM 306 N VAL A 22 34.749 36.625 35.703 1.00 0.00 N ATOM 307 CA VAL A 22 35.570 36.516 36.904 1.00 0.00 C ATOM 308 C VAL A 22 34.755 36.823 38.155 1.00 0.00 C ATOM 309 O VAL A 22 34.025 37.813 38.206 1.00 0.00 O ATOM 310 CB VAL A 22 36.779 37.467 36.845 1.00 0.00 C ATOM 311 CG1 VAL A 22 37.625 37.333 38.102 1.00 0.00 C ATOM 312 CG2 VAL A 22 37.611 37.195 35.601 1.00 0.00 C ATOM 0 H VAL A 22 34.164 37.460 35.666 1.00 0.00 H new ATOM 0 HA VAL A 22 35.929 35.488 36.951 1.00 0.00 H new ATOM 0 HB VAL A 22 36.411 38.492 36.791 1.00 0.00 H new ATOM 0 HG11 VAL A 22 38.475 38.013 38.043 1.00 0.00 H new ATOM 0 HG12 VAL A 22 37.022 37.582 38.975 1.00 0.00 H new ATOM 0 HG13 VAL A 22 37.985 36.308 38.190 1.00 0.00 H new ATOM 0 HG21 VAL A 22 38.461 37.876 35.576 1.00 0.00 H new ATOM 0 HG22 VAL A 22 37.971 36.166 35.622 1.00 0.00 H new ATOM 0 HG23 VAL A 22 36.998 37.347 34.713 1.00 0.00 H new ATOM 322 N VAL A 23 34.886 35.968 39.165 1.00 0.00 N ATOM 323 CA VAL A 23 34.164 36.148 40.418 1.00 0.00 C ATOM 324 C VAL A 23 34.505 37.488 41.061 1.00 0.00 C ATOM 325 O VAL A 23 35.560 37.642 41.676 1.00 0.00 O ATOM 326 CB VAL A 23 34.480 35.018 41.416 1.00 0.00 C ATOM 327 CG1 VAL A 23 33.669 35.189 42.691 1.00 0.00 C ATOM 328 CG2 VAL A 23 34.213 33.660 40.783 1.00 0.00 C ATOM 0 H VAL A 23 35.486 35.144 39.139 1.00 0.00 H new ATOM 0 HA VAL A 23 33.101 36.123 40.177 1.00 0.00 H new ATOM 0 HB VAL A 23 35.537 35.072 41.677 1.00 0.00 H new ATOM 0 HG11 VAL A 23 33.906 34.381 43.384 1.00 0.00 H new ATOM 0 HG12 VAL A 23 33.913 36.146 43.152 1.00 0.00 H new ATOM 0 HG13 VAL A 23 32.606 35.162 42.452 1.00 0.00 H new ATOM 0 HG21 VAL A 23 34.441 32.873 41.501 1.00 0.00 H new ATOM 0 HG22 VAL A 23 33.164 33.594 40.493 1.00 0.00 H new ATOM 0 HG23 VAL A 23 34.842 33.540 39.901 1.00 0.00 H new ATOM 338 N CYS A 24 33.605 38.454 40.914 1.00 0.00 N ATOM 339 CA CYS A 24 33.810 39.782 41.480 1.00 0.00 C ATOM 340 C CYS A 24 33.383 39.821 42.944 1.00 0.00 C ATOM 341 O CYS A 24 34.141 40.257 43.811 1.00 0.00 O ATOM 342 CB CYS A 24 33.029 40.826 40.681 1.00 0.00 C ATOM 343 SG CYS A 24 33.139 42.503 41.350 1.00 0.00 S ATOM 0 H CYS A 24 32.727 38.342 40.408 1.00 0.00 H new ATOM 0 HA CYS A 24 34.874 40.013 41.424 1.00 0.00 H new ATOM 0 HB2 CYS A 24 33.396 40.831 39.655 1.00 0.00 H new ATOM 0 HB3 CYS A 24 31.981 40.529 40.643 1.00 0.00 H new ATOM 0 HG CYS A 24 32.448 43.314 40.605 1.00 0.00 H new ATOM 349 N ALA A 25 32.164 39.365 43.212 1.00 0.00 N ATOM 350 CA ALA A 25 31.636 39.347 44.571 1.00 0.00 C ATOM 351 C ALA A 25 32.005 38.052 45.286 1.00 0.00 C ATOM 352 O ALA A 25 31.860 36.963 44.732 1.00 0.00 O ATOM 353 CB ALA A 25 30.126 39.531 44.552 1.00 0.00 C ATOM 0 H ALA A 25 31.523 39.003 42.506 1.00 0.00 H new ATOM 0 HA ALA A 25 32.085 40.174 45.121 1.00 0.00 H new ATOM 0 HB1 ALA A 25 29.745 39.516 45.573 1.00 0.00 H new ATOM 0 HB2 ALA A 25 29.882 40.486 44.088 1.00 0.00 H new ATOM 0 HB3 ALA A 25 29.668 38.723 43.982 1.00 0.00 H new ATOM 359 N MET A 26 32.483 38.179 46.520 1.00 0.00 N ATOM 360 CA MET A 26 32.873 37.017 47.311 1.00 0.00 C ATOM 361 C MET A 26 32.024 36.910 48.573 1.00 0.00 C ATOM 362 O MET A 26 32.147 37.725 49.488 1.00 0.00 O ATOM 363 CB MET A 26 34.354 37.101 47.683 1.00 0.00 C ATOM 364 CG MET A 26 35.283 36.559 46.609 1.00 0.00 C ATOM 365 SD MET A 26 36.471 35.367 47.255 1.00 0.00 S ATOM 366 CE MET A 26 35.552 33.840 47.075 1.00 0.00 C ATOM 0 H MET A 26 32.609 39.074 46.993 1.00 0.00 H new ATOM 0 HA MET A 26 32.708 36.125 46.707 1.00 0.00 H new ATOM 0 HB2 MET A 26 34.611 38.141 47.883 1.00 0.00 H new ATOM 0 HB3 MET A 26 34.520 36.548 48.608 1.00 0.00 H new ATOM 0 HG2 MET A 26 34.690 36.087 45.826 1.00 0.00 H new ATOM 0 HG3 MET A 26 35.820 37.387 46.147 1.00 0.00 H new ATOM 0 HE1 MET A 26 35.953 33.091 47.758 1.00 0.00 H new ATOM 0 HE2 MET A 26 34.502 34.018 47.308 1.00 0.00 H new ATOM 0 HE3 MET A 26 35.641 33.481 46.050 1.00 0.00 H new ATOM 376 N LYS A 27 31.162 35.900 48.618 1.00 0.00 N ATOM 377 CA LYS A 27 30.293 35.685 49.769 1.00 0.00 C ATOM 378 C LYS A 27 30.219 34.204 50.126 1.00 0.00 C ATOM 379 O LYS A 27 30.764 33.358 49.417 1.00 0.00 O ATOM 380 CB LYS A 27 28.889 36.221 49.481 1.00 0.00 C ATOM 381 CG LYS A 27 28.331 37.093 50.592 1.00 0.00 C ATOM 382 CD LYS A 27 27.767 38.395 50.050 1.00 0.00 C ATOM 383 CE LYS A 27 27.423 39.363 51.172 1.00 0.00 C ATOM 384 NZ LYS A 27 27.018 40.697 50.648 1.00 0.00 N ATOM 0 H LYS A 27 31.046 35.217 47.870 1.00 0.00 H new ATOM 0 HA LYS A 27 30.715 36.225 50.617 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.912 36.797 48.556 1.00 0.00 H new ATOM 0 HB3 LYS A 27 28.215 35.380 49.317 1.00 0.00 H new ATOM 0 HG2 LYS A 27 27.549 36.550 51.124 1.00 0.00 H new ATOM 0 HG3 LYS A 27 29.117 37.309 51.315 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.493 38.856 49.380 1.00 0.00 H new ATOM 0 HD3 LYS A 27 26.874 38.188 49.460 1.00 0.00 H new ATOM 0 HE2 LYS A 27 26.615 38.949 51.774 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.284 39.477 51.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 26.792 41.328 51.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 27.799 41.104 50.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 26.181 40.592 50.040 1.00 0.00 H new ATOM 398 N GLU A 28 29.542 33.898 51.228 1.00 0.00 N ATOM 399 CA GLU A 28 29.397 32.518 51.677 1.00 0.00 C ATOM 400 C GLU A 28 27.990 31.999 51.396 1.00 0.00 C ATOM 401 O GLU A 28 27.396 31.306 52.221 1.00 0.00 O ATOM 402 CB GLU A 28 29.703 32.411 53.172 1.00 0.00 C ATOM 403 CG GLU A 28 31.089 32.908 53.547 1.00 0.00 C ATOM 404 CD GLU A 28 31.098 33.684 54.850 1.00 0.00 C ATOM 405 OE1 GLU A 28 30.941 33.056 55.917 1.00 0.00 O ATOM 406 OE2 GLU A 28 31.261 34.922 54.801 1.00 0.00 O ATOM 0 H GLU A 28 29.085 34.587 51.826 1.00 0.00 H new ATOM 0 HA GLU A 28 30.108 31.906 51.123 1.00 0.00 H new ATOM 0 HB2 GLU A 28 28.959 32.981 53.728 1.00 0.00 H new ATOM 0 HB3 GLU A 28 29.603 31.370 53.481 1.00 0.00 H new ATOM 0 HG2 GLU A 28 31.766 32.057 53.630 1.00 0.00 H new ATOM 0 HG3 GLU A 28 31.472 33.543 52.748 1.00 0.00 H new ATOM 413 N ALA A 29 27.462 32.341 50.225 1.00 0.00 N ATOM 414 CA ALA A 29 26.126 31.909 49.834 1.00 0.00 C ATOM 415 C ALA A 29 25.875 32.173 48.353 1.00 0.00 C ATOM 416 O ALA A 29 25.385 31.305 47.632 1.00 0.00 O ATOM 417 CB ALA A 29 25.075 32.610 50.682 1.00 0.00 C ATOM 0 H ALA A 29 27.939 32.916 49.531 1.00 0.00 H new ATOM 0 HA ALA A 29 26.055 30.834 50.002 1.00 0.00 H new ATOM 0 HB1 ALA A 29 24.082 32.278 50.379 1.00 0.00 H new ATOM 0 HB2 ALA A 29 25.234 32.367 51.733 1.00 0.00 H new ATOM 0 HB3 ALA A 29 25.155 33.688 50.543 1.00 0.00 H new ATOM 423 N PHE A 30 26.214 33.378 47.906 1.00 0.00 N ATOM 424 CA PHE A 30 26.024 33.758 46.511 1.00 0.00 C ATOM 425 C PHE A 30 27.001 34.858 46.109 1.00 0.00 C ATOM 426 O PHE A 30 27.685 35.435 46.953 1.00 0.00 O ATOM 427 CB PHE A 30 24.586 34.227 46.280 1.00 0.00 C ATOM 428 CG PHE A 30 24.115 35.236 47.288 1.00 0.00 C ATOM 429 CD1 PHE A 30 24.671 36.504 47.330 1.00 0.00 C ATOM 430 CD2 PHE A 30 23.117 34.916 48.194 1.00 0.00 C ATOM 431 CE1 PHE A 30 24.240 37.435 48.256 1.00 0.00 C ATOM 432 CE2 PHE A 30 22.681 35.842 49.122 1.00 0.00 C ATOM 433 CZ PHE A 30 23.244 37.103 49.154 1.00 0.00 C ATOM 0 H PHE A 30 26.622 34.108 48.490 1.00 0.00 H new ATOM 0 HA PHE A 30 26.217 32.882 45.892 1.00 0.00 H new ATOM 0 HB2 PHE A 30 24.509 34.659 45.282 1.00 0.00 H new ATOM 0 HB3 PHE A 30 23.922 33.363 46.305 1.00 0.00 H new ATOM 0 HD1 PHE A 30 25.451 36.768 46.631 1.00 0.00 H new ATOM 0 HD2 PHE A 30 22.675 33.931 48.175 1.00 0.00 H new ATOM 0 HE1 PHE A 30 24.681 38.421 48.278 1.00 0.00 H new ATOM 0 HE2 PHE A 30 21.901 35.580 49.822 1.00 0.00 H new ATOM 0 HZ PHE A 30 22.906 37.828 49.880 1.00 0.00 H new ATOM 443 N GLY A 31 27.060 35.143 44.811 1.00 0.00 N ATOM 444 CA GLY A 31 27.957 36.173 44.318 1.00 0.00 C ATOM 445 C GLY A 31 27.686 36.533 42.871 1.00 0.00 C ATOM 446 O GLY A 31 26.770 35.993 42.250 1.00 0.00 O ATOM 0 H GLY A 31 26.503 34.680 44.093 1.00 0.00 H new ATOM 0 HA2 GLY A 31 27.856 37.065 44.936 1.00 0.00 H new ATOM 0 HA3 GLY A 31 28.987 35.831 44.417 1.00 0.00 H new ATOM 450 N PHE A 32 28.483 37.449 42.331 1.00 0.00 N ATOM 451 CA PHE A 32 28.323 37.883 40.949 1.00 0.00 C ATOM 452 C PHE A 32 29.592 37.614 40.144 1.00 0.00 C ATOM 453 O PHE A 32 30.602 37.169 40.689 1.00 0.00 O ATOM 454 CB PHE A 32 27.979 39.373 40.896 1.00 0.00 C ATOM 455 CG PHE A 32 26.716 39.722 41.630 1.00 0.00 C ATOM 456 CD1 PHE A 32 26.734 39.947 42.997 1.00 0.00 C ATOM 457 CD2 PHE A 32 25.511 39.826 40.953 1.00 0.00 C ATOM 458 CE1 PHE A 32 25.573 40.268 43.675 1.00 0.00 C ATOM 459 CE2 PHE A 32 24.347 40.147 41.626 1.00 0.00 C ATOM 460 CZ PHE A 32 24.379 40.370 42.989 1.00 0.00 C ATOM 0 H PHE A 32 29.247 37.905 42.830 1.00 0.00 H new ATOM 0 HA PHE A 32 27.506 37.313 40.508 1.00 0.00 H new ATOM 0 HB2 PHE A 32 28.805 39.944 41.319 1.00 0.00 H new ATOM 0 HB3 PHE A 32 27.881 39.678 39.854 1.00 0.00 H new ATOM 0 HD1 PHE A 32 27.665 39.871 43.539 1.00 0.00 H new ATOM 0 HD2 PHE A 32 25.481 39.654 39.887 1.00 0.00 H new ATOM 0 HE1 PHE A 32 25.600 40.439 44.741 1.00 0.00 H new ATOM 0 HE2 PHE A 32 23.414 40.223 41.087 1.00 0.00 H new ATOM 0 HZ PHE A 32 23.472 40.624 43.517 1.00 0.00 H new ATOM 470 N ILE A 33 29.530 37.886 38.845 1.00 0.00 N ATOM 471 CA ILE A 33 30.673 37.674 37.965 1.00 0.00 C ATOM 472 C ILE A 33 30.880 38.866 37.037 1.00 0.00 C ATOM 473 O ILE A 33 29.953 39.305 36.358 1.00 0.00 O ATOM 474 CB ILE A 33 30.501 36.401 37.116 1.00 0.00 C ATOM 475 CG1 ILE A 33 30.213 35.197 38.016 1.00 0.00 C ATOM 476 CG2 ILE A 33 31.744 36.154 36.275 1.00 0.00 C ATOM 477 CD1 ILE A 33 29.822 33.952 37.252 1.00 0.00 C ATOM 0 H ILE A 33 28.701 38.254 38.378 1.00 0.00 H new ATOM 0 HA ILE A 33 31.547 37.558 38.605 1.00 0.00 H new ATOM 0 HB ILE A 33 29.653 36.541 36.445 1.00 0.00 H new ATOM 0 HG12 ILE A 33 31.097 34.983 38.616 1.00 0.00 H new ATOM 0 HG13 ILE A 33 29.412 35.455 38.709 1.00 0.00 H new ATOM 0 HG21 ILE A 33 31.607 35.251 35.680 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.909 37.003 35.612 1.00 0.00 H new ATOM 0 HG23 ILE A 33 32.607 36.031 36.929 1.00 0.00 H new ATOM 0 HD11 ILE A 33 29.633 33.139 37.953 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.920 34.149 36.673 1.00 0.00 H new ATOM 0 HD13 ILE A 33 30.631 33.669 36.579 1.00 0.00 H new ATOM 489 N GLU A 34 32.104 39.384 37.013 1.00 0.00 N ATOM 490 CA GLU A 34 32.433 40.525 36.166 1.00 0.00 C ATOM 491 C GLU A 34 32.515 40.110 34.700 1.00 0.00 C ATOM 492 O GLU A 34 33.183 39.134 34.357 1.00 0.00 O ATOM 493 CB GLU A 34 33.760 41.149 36.606 1.00 0.00 C ATOM 494 CG GLU A 34 33.787 42.664 36.494 1.00 0.00 C ATOM 495 CD GLU A 34 34.601 43.147 35.309 1.00 0.00 C ATOM 496 OE1 GLU A 34 34.060 43.160 34.183 1.00 0.00 O ATOM 497 OE2 GLU A 34 35.779 43.511 35.508 1.00 0.00 O ATOM 0 H GLU A 34 32.883 39.032 37.569 1.00 0.00 H new ATOM 0 HA GLU A 34 31.639 41.264 36.272 1.00 0.00 H new ATOM 0 HB2 GLU A 34 33.960 40.866 37.639 1.00 0.00 H new ATOM 0 HB3 GLU A 34 34.566 40.734 36.000 1.00 0.00 H new ATOM 0 HG2 GLU A 34 32.766 43.036 36.405 1.00 0.00 H new ATOM 0 HG3 GLU A 34 34.201 43.085 37.410 1.00 0.00 H new ATOM 601 N GLU A 41 25.573 41.606 33.682 1.00 0.00 N ATOM 602 CA GLU A 41 25.950 40.827 34.855 1.00 0.00 C ATOM 603 C GLU A 41 24.887 39.781 35.179 1.00 0.00 C ATOM 604 O GLU A 41 23.771 39.835 34.661 1.00 0.00 O ATOM 605 CB GLU A 41 26.160 41.747 36.060 1.00 0.00 C ATOM 606 CG GLU A 41 24.908 42.502 36.474 1.00 0.00 C ATOM 607 CD GLU A 41 24.778 43.842 35.775 1.00 0.00 C ATOM 608 OE1 GLU A 41 25.578 44.751 36.080 1.00 0.00 O ATOM 609 OE2 GLU A 41 23.875 43.980 34.923 1.00 0.00 O ATOM 0 HA GLU A 41 26.885 40.313 34.632 1.00 0.00 H new ATOM 0 HB2 GLU A 41 26.511 41.153 36.903 1.00 0.00 H new ATOM 0 HB3 GLU A 41 26.946 42.465 35.826 1.00 0.00 H new ATOM 0 HG2 GLU A 41 24.031 41.894 36.252 1.00 0.00 H new ATOM 0 HG3 GLU A 41 24.922 42.659 37.553 1.00 0.00 H new ATOM 616 N ILE A 42 25.242 38.831 36.037 1.00 0.00 N ATOM 617 CA ILE A 42 24.319 37.774 36.430 1.00 0.00 C ATOM 618 C ILE A 42 24.502 37.402 37.898 1.00 0.00 C ATOM 619 O ILE A 42 25.489 37.783 38.528 1.00 0.00 O ATOM 620 CB ILE A 42 24.506 36.513 35.566 1.00 0.00 C ATOM 621 CG1 ILE A 42 25.704 35.701 36.062 1.00 0.00 C ATOM 622 CG2 ILE A 42 24.687 36.895 34.104 1.00 0.00 C ATOM 623 CD1 ILE A 42 27.000 36.482 36.074 1.00 0.00 C ATOM 0 H ILE A 42 26.162 38.772 36.473 1.00 0.00 H new ATOM 0 HA ILE A 42 23.312 38.162 36.278 1.00 0.00 H new ATOM 0 HB ILE A 42 23.612 35.896 35.652 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.497 35.341 37.070 1.00 0.00 H new ATOM 0 HG13 ILE A 42 25.825 34.822 35.428 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.818 35.993 33.506 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.806 37.436 33.757 1.00 0.00 H new ATOM 0 HG23 ILE A 42 25.567 37.530 34.000 1.00 0.00 H new ATOM 0 HD11 ILE A 42 27.806 35.844 36.437 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.231 36.819 35.064 1.00 0.00 H new ATOM 0 HD13 ILE A 42 26.898 37.346 36.730 1.00 0.00 H new ATOM 635 N PHE A 43 23.544 36.654 38.437 1.00 0.00 N ATOM 636 CA PHE A 43 23.600 36.229 39.831 1.00 0.00 C ATOM 637 C PHE A 43 23.595 34.707 39.936 1.00 0.00 C ATOM 638 O PHE A 43 22.625 34.050 39.557 1.00 0.00 O ATOM 639 CB PHE A 43 22.417 36.809 40.610 1.00 0.00 C ATOM 640 CG PHE A 43 22.297 36.269 42.006 1.00 0.00 C ATOM 641 CD1 PHE A 43 21.579 35.110 42.256 1.00 0.00 C ATOM 642 CD2 PHE A 43 22.902 36.919 43.069 1.00 0.00 C ATOM 643 CE1 PHE A 43 21.466 34.612 43.540 1.00 0.00 C ATOM 644 CE2 PHE A 43 22.793 36.425 44.356 1.00 0.00 C ATOM 645 CZ PHE A 43 22.075 35.269 44.591 1.00 0.00 C ATOM 0 H PHE A 43 22.720 36.330 37.930 1.00 0.00 H new ATOM 0 HA PHE A 43 24.529 36.602 40.262 1.00 0.00 H new ATOM 0 HB2 PHE A 43 22.519 37.893 40.656 1.00 0.00 H new ATOM 0 HB3 PHE A 43 21.496 36.598 40.067 1.00 0.00 H new ATOM 0 HD1 PHE A 43 21.102 34.590 41.438 1.00 0.00 H new ATOM 0 HD2 PHE A 43 23.466 37.823 42.891 1.00 0.00 H new ATOM 0 HE1 PHE A 43 20.902 33.709 43.722 1.00 0.00 H new ATOM 0 HE2 PHE A 43 23.269 36.942 45.176 1.00 0.00 H new ATOM 0 HZ PHE A 43 21.990 34.880 45.595 1.00 0.00 H new ATOM 655 N PHE A 44 24.687 34.152 40.453 1.00 0.00 N ATOM 656 CA PHE A 44 24.811 32.708 40.607 1.00 0.00 C ATOM 657 C PHE A 44 24.897 32.323 42.081 1.00 0.00 C ATOM 658 O PHE A 44 25.377 33.098 42.909 1.00 0.00 O ATOM 659 CB PHE A 44 26.046 32.198 39.862 1.00 0.00 C ATOM 660 CG PHE A 44 27.341 32.551 40.537 1.00 0.00 C ATOM 661 CD1 PHE A 44 27.865 33.830 40.434 1.00 0.00 C ATOM 662 CD2 PHE A 44 28.034 31.605 41.274 1.00 0.00 C ATOM 663 CE1 PHE A 44 29.056 34.157 41.053 1.00 0.00 C ATOM 664 CE2 PHE A 44 29.226 31.926 41.895 1.00 0.00 C ATOM 665 CZ PHE A 44 29.737 33.204 41.786 1.00 0.00 C ATOM 0 H PHE A 44 25.498 34.681 40.772 1.00 0.00 H new ATOM 0 HA PHE A 44 23.921 32.245 40.180 1.00 0.00 H new ATOM 0 HB2 PHE A 44 25.980 31.114 39.764 1.00 0.00 H new ATOM 0 HB3 PHE A 44 26.047 32.610 38.853 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.336 34.579 39.863 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.638 30.604 41.364 1.00 0.00 H new ATOM 0 HE1 PHE A 44 29.455 35.157 40.964 1.00 0.00 H new ATOM 0 HE2 PHE A 44 29.757 31.178 42.465 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.667 33.458 42.273 1.00 0.00 H new ATOM 675 N HIS A 45 24.429 31.121 42.401 1.00 0.00 N ATOM 676 CA HIS A 45 24.453 30.633 43.776 1.00 0.00 C ATOM 677 C HIS A 45 25.480 29.517 43.938 1.00 0.00 C ATOM 678 O HIS A 45 25.556 28.605 43.114 1.00 0.00 O ATOM 679 CB HIS A 45 23.068 30.130 44.185 1.00 0.00 C ATOM 680 CG HIS A 45 22.663 30.549 45.565 1.00 0.00 C ATOM 681 ND1 HIS A 45 23.078 29.891 46.703 1.00 0.00 N ATOM 682 CD2 HIS A 45 21.876 31.566 45.986 1.00 0.00 C ATOM 683 CE1 HIS A 45 22.563 30.484 47.765 1.00 0.00 C ATOM 684 NE2 HIS A 45 21.830 31.504 47.357 1.00 0.00 N ATOM 0 H HIS A 45 24.029 30.467 41.728 1.00 0.00 H new ATOM 0 HA HIS A 45 24.737 31.462 44.425 1.00 0.00 H new ATOM 0 HB2 HIS A 45 22.331 30.498 43.471 1.00 0.00 H new ATOM 0 HB3 HIS A 45 23.053 29.042 44.125 1.00 0.00 H new ATOM 0 HD2 HIS A 45 21.377 32.291 45.360 1.00 0.00 H new ATOM 0 HE1 HIS A 45 22.715 30.186 48.792 1.00 0.00 H new ATOM 0 HE2 HIS A 45 21.313 32.142 47.962 1.00 0.00 H new ATOM 692 N TYR A 46 26.269 29.595 45.004 1.00 0.00 N ATOM 693 CA TYR A 46 27.294 28.594 45.272 1.00 0.00 C ATOM 694 C TYR A 46 26.702 27.188 45.244 1.00 0.00 C ATOM 695 O TYR A 46 27.385 26.222 44.904 1.00 0.00 O ATOM 696 CB TYR A 46 27.950 28.856 46.628 1.00 0.00 C ATOM 697 CG TYR A 46 28.973 29.969 46.601 1.00 0.00 C ATOM 698 CD1 TYR A 46 28.579 31.301 46.580 1.00 0.00 C ATOM 699 CD2 TYR A 46 30.334 29.689 46.597 1.00 0.00 C ATOM 700 CE1 TYR A 46 29.510 32.322 46.554 1.00 0.00 C ATOM 701 CE2 TYR A 46 31.272 30.703 46.573 1.00 0.00 C ATOM 702 CZ TYR A 46 30.855 32.017 46.551 1.00 0.00 C ATOM 703 OH TYR A 46 31.785 33.031 46.527 1.00 0.00 O ATOM 0 H TYR A 46 26.218 30.342 45.697 1.00 0.00 H new ATOM 0 HA TYR A 46 28.050 28.666 44.490 1.00 0.00 H new ATOM 0 HB2 TYR A 46 27.176 29.103 47.355 1.00 0.00 H new ATOM 0 HB3 TYR A 46 28.431 27.940 46.973 1.00 0.00 H new ATOM 0 HD1 TYR A 46 27.526 31.543 46.584 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.664 28.661 46.613 1.00 0.00 H new ATOM 0 HE1 TYR A 46 29.186 33.352 46.536 1.00 0.00 H new ATOM 0 HE2 TYR A 46 32.326 30.468 46.571 1.00 0.00 H new ATOM 0 HH TYR A 46 31.832 33.453 47.410 1.00 0.00 H new ATOM 713 N SER A 47 25.427 27.082 45.604 1.00 0.00 N ATOM 714 CA SER A 47 24.742 25.795 45.623 1.00 0.00 C ATOM 715 C SER A 47 24.768 25.145 44.243 1.00 0.00 C ATOM 716 O SER A 47 24.821 23.921 44.124 1.00 0.00 O ATOM 717 CB SER A 47 23.296 25.970 46.090 1.00 0.00 C ATOM 718 OG SER A 47 22.904 24.910 46.945 1.00 0.00 O ATOM 0 H SER A 47 24.847 27.872 45.887 1.00 0.00 H new ATOM 0 HA SER A 47 25.266 25.143 46.322 1.00 0.00 H new ATOM 0 HB2 SER A 47 23.192 26.921 46.613 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.633 26.008 45.225 1.00 0.00 H new ATOM 0 HG SER A 47 21.977 25.046 47.231 1.00 0.00 H new ATOM 724 N GLU A 48 24.730 25.973 43.205 1.00 0.00 N ATOM 725 CA GLU A 48 24.749 25.479 41.833 1.00 0.00 C ATOM 726 C GLU A 48 26.181 25.336 41.325 1.00 0.00 C ATOM 727 O GLU A 48 26.461 24.523 40.444 1.00 0.00 O ATOM 728 CB GLU A 48 23.963 26.420 40.917 1.00 0.00 C ATOM 729 CG GLU A 48 22.522 25.991 40.697 1.00 0.00 C ATOM 730 CD GLU A 48 22.413 24.640 40.018 1.00 0.00 C ATOM 731 OE1 GLU A 48 23.269 24.336 39.161 1.00 0.00 O ATOM 732 OE2 GLU A 48 21.472 23.886 40.344 1.00 0.00 O ATOM 0 H GLU A 48 24.686 26.989 43.287 1.00 0.00 H new ATOM 0 HA GLU A 48 24.278 24.496 41.822 1.00 0.00 H new ATOM 0 HB2 GLU A 48 23.974 27.423 41.345 1.00 0.00 H new ATOM 0 HB3 GLU A 48 24.467 26.479 39.952 1.00 0.00 H new ATOM 0 HG2 GLU A 48 22.007 25.953 41.657 1.00 0.00 H new ATOM 0 HG3 GLU A 48 22.012 26.740 40.091 1.00 0.00 H new ATOM 739 N PHE A 49 27.084 26.133 41.887 1.00 0.00 N ATOM 740 CA PHE A 49 28.487 26.098 41.491 1.00 0.00 C ATOM 741 C PHE A 49 29.049 24.684 41.608 1.00 0.00 C ATOM 742 O PHE A 49 29.016 24.076 42.678 1.00 0.00 O ATOM 743 CB PHE A 49 29.307 27.058 42.355 1.00 0.00 C ATOM 744 CG PHE A 49 30.788 26.951 42.130 1.00 0.00 C ATOM 745 CD1 PHE A 49 31.317 27.052 40.853 1.00 0.00 C ATOM 746 CD2 PHE A 49 31.652 26.751 43.194 1.00 0.00 C ATOM 747 CE1 PHE A 49 32.679 26.953 40.642 1.00 0.00 C ATOM 748 CE2 PHE A 49 33.015 26.652 42.990 1.00 0.00 C ATOM 749 CZ PHE A 49 33.529 26.754 41.713 1.00 0.00 C ATOM 0 H PHE A 49 26.869 26.811 42.618 1.00 0.00 H new ATOM 0 HA PHE A 49 28.553 26.412 40.449 1.00 0.00 H new ATOM 0 HB2 PHE A 49 28.989 28.080 42.150 1.00 0.00 H new ATOM 0 HB3 PHE A 49 29.092 26.862 43.406 1.00 0.00 H new ATOM 0 HD1 PHE A 49 30.657 27.210 40.013 1.00 0.00 H new ATOM 0 HD2 PHE A 49 31.255 26.671 44.195 1.00 0.00 H new ATOM 0 HE1 PHE A 49 33.078 27.031 39.642 1.00 0.00 H new ATOM 0 HE2 PHE A 49 33.677 26.495 43.829 1.00 0.00 H new ATOM 0 HZ PHE A 49 34.594 26.678 41.551 1.00 0.00 H new ATOM 759 N LYS A 50 29.566 24.166 40.498 1.00 0.00 N ATOM 760 CA LYS A 50 30.137 22.825 40.474 1.00 0.00 C ATOM 761 C LYS A 50 31.657 22.883 40.360 1.00 0.00 C ATOM 762 O LYS A 50 32.214 22.729 39.275 1.00 0.00 O ATOM 763 CB LYS A 50 29.558 22.023 39.306 1.00 0.00 C ATOM 764 CG LYS A 50 28.047 22.125 39.188 1.00 0.00 C ATOM 765 CD LYS A 50 27.354 21.592 40.431 1.00 0.00 C ATOM 766 CE LYS A 50 27.617 20.107 40.622 1.00 0.00 C ATOM 767 NZ LYS A 50 26.353 19.334 40.774 1.00 0.00 N ATOM 0 H LYS A 50 29.601 24.655 39.604 1.00 0.00 H new ATOM 0 HA LYS A 50 29.879 22.330 41.410 1.00 0.00 H new ATOM 0 HB2 LYS A 50 30.011 22.371 38.378 1.00 0.00 H new ATOM 0 HB3 LYS A 50 29.835 20.975 39.423 1.00 0.00 H new ATOM 0 HG2 LYS A 50 27.763 23.165 39.030 1.00 0.00 H new ATOM 0 HG3 LYS A 50 27.711 21.566 38.315 1.00 0.00 H new ATOM 0 HD2 LYS A 50 27.703 22.140 41.306 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.281 21.765 40.353 1.00 0.00 H new ATOM 0 HE2 LYS A 50 28.176 19.725 39.768 1.00 0.00 H new ATOM 0 HE3 LYS A 50 28.241 19.959 41.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 26.576 18.326 40.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 25.831 19.681 41.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 25.768 19.454 39.922 1.00 0.00 H new ATOM 781 N GLY A 51 32.322 23.105 41.490 1.00 0.00 N ATOM 782 CA GLY A 51 33.772 23.177 41.495 1.00 0.00 C ATOM 783 C GLY A 51 34.361 22.909 42.866 1.00 0.00 C ATOM 784 O GLY A 51 33.996 21.936 43.526 1.00 0.00 O ATOM 0 H GLY A 51 31.883 23.236 42.401 1.00 0.00 H new ATOM 0 HA2 GLY A 51 34.171 22.454 40.784 1.00 0.00 H new ATOM 0 HA3 GLY A 51 34.085 24.164 41.155 1.00 0.00 H new ATOM 788 N ASP A 52 35.275 23.773 43.294 1.00 0.00 N ATOM 789 CA ASP A 52 35.916 23.625 44.595 1.00 0.00 C ATOM 790 C ASP A 52 35.598 24.813 45.497 1.00 0.00 C ATOM 791 O ASP A 52 36.295 25.828 45.473 1.00 0.00 O ATOM 792 CB ASP A 52 37.430 23.486 44.428 1.00 0.00 C ATOM 793 CG ASP A 52 37.806 22.467 43.371 1.00 0.00 C ATOM 794 OD1 ASP A 52 36.966 21.595 43.063 1.00 0.00 O ATOM 795 OD2 ASP A 52 38.938 22.541 42.851 1.00 0.00 O ATOM 0 H ASP A 52 35.588 24.583 42.759 1.00 0.00 H new ATOM 0 HA ASP A 52 35.525 22.722 45.064 1.00 0.00 H new ATOM 0 HB2 ASP A 52 37.853 24.454 44.161 1.00 0.00 H new ATOM 0 HB3 ASP A 52 37.872 23.196 45.381 1.00 0.00 H new ATOM 800 N LEU A 53 34.540 24.681 46.290 1.00 0.00 N ATOM 801 CA LEU A 53 34.128 25.745 47.199 1.00 0.00 C ATOM 802 C LEU A 53 35.156 25.941 48.310 1.00 0.00 C ATOM 803 O LEU A 53 35.146 26.956 49.004 1.00 0.00 O ATOM 804 CB LEU A 53 32.761 25.423 47.805 1.00 0.00 C ATOM 805 CG LEU A 53 31.642 26.422 47.506 1.00 0.00 C ATOM 806 CD1 LEU A 53 30.441 25.712 46.900 1.00 0.00 C ATOM 807 CD2 LEU A 53 31.241 27.168 48.770 1.00 0.00 C ATOM 0 H LEU A 53 33.952 23.848 46.322 1.00 0.00 H new ATOM 0 HA LEU A 53 34.057 26.671 46.628 1.00 0.00 H new ATOM 0 HB2 LEU A 53 32.450 24.441 47.448 1.00 0.00 H new ATOM 0 HB3 LEU A 53 32.874 25.347 48.886 1.00 0.00 H new ATOM 0 HG LEU A 53 32.013 27.148 46.782 1.00 0.00 H new ATOM 0 HD11 LEU A 53 29.655 26.438 46.694 1.00 0.00 H new ATOM 0 HD12 LEU A 53 30.737 25.224 45.971 1.00 0.00 H new ATOM 0 HD13 LEU A 53 30.069 24.964 47.600 1.00 0.00 H new ATOM 0 HD21 LEU A 53 30.444 27.874 48.538 1.00 0.00 H new ATOM 0 HD22 LEU A 53 30.889 26.456 49.517 1.00 0.00 H new ATOM 0 HD23 LEU A 53 32.102 27.709 49.162 1.00 0.00 H new ATOM 819 N GLU A 54 36.041 24.962 48.469 1.00 0.00 N ATOM 820 CA GLU A 54 37.076 25.028 49.494 1.00 0.00 C ATOM 821 C GLU A 54 38.202 25.967 49.070 1.00 0.00 C ATOM 822 O GLU A 54 38.762 26.695 49.891 1.00 0.00 O ATOM 823 CB GLU A 54 37.639 23.633 49.774 1.00 0.00 C ATOM 824 CG GLU A 54 38.214 22.951 48.544 1.00 0.00 C ATOM 825 CD GLU A 54 37.901 21.468 48.499 1.00 0.00 C ATOM 826 OE1 GLU A 54 38.079 20.792 49.534 1.00 0.00 O ATOM 827 OE2 GLU A 54 37.478 20.984 47.428 1.00 0.00 O ATOM 0 H GLU A 54 36.062 24.115 47.902 1.00 0.00 H new ATOM 0 HA GLU A 54 36.624 25.418 50.406 1.00 0.00 H new ATOM 0 HB2 GLU A 54 38.417 23.710 50.534 1.00 0.00 H new ATOM 0 HB3 GLU A 54 36.849 23.008 50.190 1.00 0.00 H new ATOM 0 HG2 GLU A 54 37.817 23.430 47.649 1.00 0.00 H new ATOM 0 HG3 GLU A 54 39.295 23.091 48.527 1.00 0.00 H new ATOM 834 N THR A 55 38.530 25.945 47.782 1.00 0.00 N ATOM 835 CA THR A 55 39.589 26.792 47.248 1.00 0.00 C ATOM 836 C THR A 55 39.099 27.596 46.050 1.00 0.00 C ATOM 837 O THR A 55 39.219 27.159 44.904 1.00 0.00 O ATOM 838 CB THR A 55 40.815 25.960 46.827 1.00 0.00 C ATOM 839 OG1 THR A 55 40.454 25.053 45.779 1.00 0.00 O ATOM 840 CG2 THR A 55 41.373 25.181 48.009 1.00 0.00 C ATOM 0 H THR A 55 38.077 25.349 47.089 1.00 0.00 H new ATOM 0 HA THR A 55 39.879 27.475 48.046 1.00 0.00 H new ATOM 0 HB THR A 55 41.584 26.643 46.467 1.00 0.00 H new ATOM 0 HG1 THR A 55 40.015 25.547 45.056 1.00 0.00 H new ATOM 0 HG21 THR A 55 42.238 24.601 47.687 1.00 0.00 H new ATOM 0 HG22 THR A 55 41.673 25.876 48.793 1.00 0.00 H new ATOM 0 HG23 THR A 55 40.608 24.507 48.395 1.00 0.00 H new ATOM 848 N LEU A 56 38.546 28.774 46.320 1.00 0.00 N ATOM 849 CA LEU A 56 38.038 29.641 45.262 1.00 0.00 C ATOM 850 C LEU A 56 38.267 31.109 45.605 1.00 0.00 C ATOM 851 O LEU A 56 37.425 31.747 46.236 1.00 0.00 O ATOM 852 CB LEU A 56 36.547 29.384 45.038 1.00 0.00 C ATOM 853 CG LEU A 56 35.828 30.368 44.115 1.00 0.00 C ATOM 854 CD1 LEU A 56 36.253 30.153 42.670 1.00 0.00 C ATOM 855 CD2 LEU A 56 34.319 30.227 44.256 1.00 0.00 C ATOM 0 H LEU A 56 38.438 29.150 47.262 1.00 0.00 H new ATOM 0 HA LEU A 56 38.582 29.412 44.345 1.00 0.00 H new ATOM 0 HB2 LEU A 56 36.429 28.381 44.629 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.047 29.394 46.007 1.00 0.00 H new ATOM 0 HG LEU A 56 36.107 31.380 44.407 1.00 0.00 H new ATOM 0 HD11 LEU A 56 35.731 30.862 42.028 1.00 0.00 H new ATOM 0 HD12 LEU A 56 37.328 30.306 42.580 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.004 29.136 42.365 1.00 0.00 H new ATOM 0 HD21 LEU A 56 33.824 30.935 43.592 1.00 0.00 H new ATOM 0 HD22 LEU A 56 34.022 29.212 43.991 1.00 0.00 H new ATOM 0 HD23 LEU A 56 34.029 30.433 45.286 1.00 0.00 H new ATOM 867 N GLN A 57 39.411 31.639 45.183 1.00 0.00 N ATOM 868 CA GLN A 57 39.749 33.033 45.445 1.00 0.00 C ATOM 869 C GLN A 57 41.101 33.388 44.837 1.00 0.00 C ATOM 870 O GLN A 57 41.929 32.522 44.554 1.00 0.00 O ATOM 871 CB GLN A 57 39.766 33.302 46.950 1.00 0.00 C ATOM 872 CG GLN A 57 40.240 32.115 47.775 1.00 0.00 C ATOM 873 CD GLN A 57 40.907 32.533 49.070 1.00 0.00 C ATOM 874 OE1 GLN A 57 41.085 33.723 49.334 1.00 0.00 O ATOM 875 NE2 GLN A 57 41.280 31.555 49.887 1.00 0.00 N ATOM 0 H GLN A 57 40.119 31.124 44.659 1.00 0.00 H new ATOM 0 HA GLN A 57 38.987 33.659 44.981 1.00 0.00 H new ATOM 0 HB2 GLN A 57 40.414 34.155 47.151 1.00 0.00 H new ATOM 0 HB3 GLN A 57 38.763 33.580 47.272 1.00 0.00 H new ATOM 0 HG2 GLN A 57 39.390 31.471 48.000 1.00 0.00 H new ATOM 0 HG3 GLN A 57 40.940 31.524 47.185 1.00 0.00 H new ATOM 0 HE21 GLN A 57 41.113 30.583 49.628 1.00 0.00 H new ATOM 0 HE22 GLN A 57 41.734 31.776 50.773 1.00 0.00 H new ATOM 884 N PRO A 58 41.333 34.693 44.630 1.00 0.00 N ATOM 885 CA PRO A 58 40.355 35.733 44.961 1.00 0.00 C ATOM 886 C PRO A 58 39.141 35.703 44.040 1.00 0.00 C ATOM 887 O PRO A 58 38.016 35.957 44.470 1.00 0.00 O ATOM 888 CB PRO A 58 41.140 37.033 44.768 1.00 0.00 C ATOM 889 CG PRO A 58 42.208 36.689 43.788 1.00 0.00 C ATOM 890 CD PRO A 58 42.568 35.253 44.055 1.00 0.00 C ATOM 0 HA PRO A 58 39.952 35.607 45.966 1.00 0.00 H new ATOM 0 HB2 PRO A 58 40.499 37.830 44.391 1.00 0.00 H new ATOM 0 HB3 PRO A 58 41.564 37.383 45.709 1.00 0.00 H new ATOM 0 HG2 PRO A 58 41.855 36.819 42.765 1.00 0.00 H new ATOM 0 HG3 PRO A 58 43.075 37.338 43.912 1.00 0.00 H new ATOM 0 HD2 PRO A 58 42.857 34.734 43.141 1.00 0.00 H new ATOM 0 HD3 PRO A 58 43.407 35.171 44.747 1.00 0.00 H new ATOM 898 N GLY A 59 39.375 35.389 42.769 1.00 0.00 N ATOM 899 CA GLY A 59 38.291 35.330 41.807 1.00 0.00 C ATOM 900 C GLY A 59 38.645 34.510 40.583 1.00 0.00 C ATOM 901 O GLY A 59 38.801 35.052 39.488 1.00 0.00 O ATOM 0 H GLY A 59 40.297 35.174 42.389 1.00 0.00 H new ATOM 0 HA2 GLY A 59 37.409 34.902 42.284 1.00 0.00 H new ATOM 0 HA3 GLY A 59 38.028 36.342 41.499 1.00 0.00 H new ATOM 905 N ASP A 60 38.775 33.201 40.767 1.00 0.00 N ATOM 906 CA ASP A 60 39.114 32.304 39.668 1.00 0.00 C ATOM 907 C ASP A 60 38.075 32.391 38.555 1.00 0.00 C ATOM 908 O ASP A 60 36.881 32.542 38.817 1.00 0.00 O ATOM 909 CB ASP A 60 39.222 30.864 40.172 1.00 0.00 C ATOM 910 CG ASP A 60 40.592 30.549 40.738 1.00 0.00 C ATOM 911 OD1 ASP A 60 41.536 30.369 39.940 1.00 0.00 O ATOM 912 OD2 ASP A 60 40.721 30.482 41.978 1.00 0.00 O ATOM 0 H ASP A 60 38.651 32.737 41.667 1.00 0.00 H new ATOM 0 HA ASP A 60 40.078 32.612 39.264 1.00 0.00 H new ATOM 0 HB2 ASP A 60 38.467 30.694 40.940 1.00 0.00 H new ATOM 0 HB3 ASP A 60 39.004 30.178 39.353 1.00 0.00 H new ATOM 917 N ASP A 61 38.536 32.295 37.313 1.00 0.00 N ATOM 918 CA ASP A 61 37.646 32.363 36.160 1.00 0.00 C ATOM 919 C ASP A 61 36.581 31.273 36.230 1.00 0.00 C ATOM 920 O ASP A 61 36.857 30.147 36.644 1.00 0.00 O ATOM 921 CB ASP A 61 38.446 32.227 34.863 1.00 0.00 C ATOM 922 CG ASP A 61 39.505 33.304 34.721 1.00 0.00 C ATOM 923 OD1 ASP A 61 39.333 34.388 35.317 1.00 0.00 O ATOM 924 OD2 ASP A 61 40.505 33.061 34.014 1.00 0.00 O ATOM 0 H ASP A 61 39.521 32.170 37.079 1.00 0.00 H new ATOM 0 HA ASP A 61 37.149 33.333 36.173 1.00 0.00 H new ATOM 0 HB2 ASP A 61 38.922 31.247 34.834 1.00 0.00 H new ATOM 0 HB3 ASP A 61 37.766 32.276 34.013 1.00 0.00 H new ATOM 929 N VAL A 62 35.363 31.616 35.825 1.00 0.00 N ATOM 930 CA VAL A 62 34.255 30.668 35.843 1.00 0.00 C ATOM 931 C VAL A 62 33.378 30.824 34.605 1.00 0.00 C ATOM 932 O VAL A 62 33.397 31.863 33.947 1.00 0.00 O ATOM 933 CB VAL A 62 33.385 30.844 37.101 1.00 0.00 C ATOM 934 CG1 VAL A 62 34.167 30.466 38.349 1.00 0.00 C ATOM 935 CG2 VAL A 62 32.871 32.273 37.197 1.00 0.00 C ATOM 0 H VAL A 62 35.118 32.544 35.480 1.00 0.00 H new ATOM 0 HA VAL A 62 34.693 29.670 35.851 1.00 0.00 H new ATOM 0 HB VAL A 62 32.526 30.177 37.024 1.00 0.00 H new ATOM 0 HG11 VAL A 62 33.535 30.597 39.228 1.00 0.00 H new ATOM 0 HG12 VAL A 62 34.481 29.425 38.280 1.00 0.00 H new ATOM 0 HG13 VAL A 62 35.046 31.105 38.435 1.00 0.00 H new ATOM 0 HG21 VAL A 62 32.258 32.380 38.092 1.00 0.00 H new ATOM 0 HG22 VAL A 62 33.715 32.960 37.251 1.00 0.00 H new ATOM 0 HG23 VAL A 62 32.271 32.504 36.317 1.00 0.00 H new ATOM 945 N GLU A 63 32.611 29.783 34.295 1.00 0.00 N ATOM 946 CA GLU A 63 31.727 29.805 33.136 1.00 0.00 C ATOM 947 C GLU A 63 30.276 29.589 33.554 1.00 0.00 C ATOM 948 O GLU A 63 30.000 29.076 34.639 1.00 0.00 O ATOM 949 CB GLU A 63 32.144 28.732 32.128 1.00 0.00 C ATOM 950 CG GLU A 63 31.647 28.997 30.717 1.00 0.00 C ATOM 951 CD GLU A 63 32.486 28.300 29.663 1.00 0.00 C ATOM 952 OE1 GLU A 63 32.758 27.092 29.825 1.00 0.00 O ATOM 953 OE2 GLU A 63 32.870 28.962 28.677 1.00 0.00 O ATOM 0 H GLU A 63 32.584 28.915 34.830 1.00 0.00 H new ATOM 0 HA GLU A 63 31.810 30.786 32.667 1.00 0.00 H new ATOM 0 HB2 GLU A 63 33.232 28.662 32.114 1.00 0.00 H new ATOM 0 HB3 GLU A 63 31.766 27.765 32.462 1.00 0.00 H new ATOM 0 HG2 GLU A 63 30.613 28.664 30.631 1.00 0.00 H new ATOM 0 HG3 GLU A 63 31.653 30.071 30.529 1.00 0.00 H new ATOM 960 N PHE A 64 29.351 29.985 32.686 1.00 0.00 N ATOM 961 CA PHE A 64 27.927 29.836 32.965 1.00 0.00 C ATOM 962 C PHE A 64 27.107 29.945 31.683 1.00 0.00 C ATOM 963 O PHE A 64 27.589 30.439 30.663 1.00 0.00 O ATOM 964 CB PHE A 64 27.469 30.898 33.968 1.00 0.00 C ATOM 965 CG PHE A 64 27.843 32.298 33.572 1.00 0.00 C ATOM 966 CD1 PHE A 64 27.086 32.995 32.644 1.00 0.00 C ATOM 967 CD2 PHE A 64 28.951 32.916 34.128 1.00 0.00 C ATOM 968 CE1 PHE A 64 27.428 34.282 32.277 1.00 0.00 C ATOM 969 CE2 PHE A 64 29.298 34.204 33.765 1.00 0.00 C ATOM 970 CZ PHE A 64 28.534 34.889 32.840 1.00 0.00 C ATOM 0 H PHE A 64 29.562 30.411 31.784 1.00 0.00 H new ATOM 0 HA PHE A 64 27.768 28.847 33.394 1.00 0.00 H new ATOM 0 HB2 PHE A 64 26.386 30.838 34.080 1.00 0.00 H new ATOM 0 HB3 PHE A 64 27.903 30.677 34.943 1.00 0.00 H new ATOM 0 HD1 PHE A 64 26.219 32.527 32.203 1.00 0.00 H new ATOM 0 HD2 PHE A 64 29.550 32.386 34.853 1.00 0.00 H new ATOM 0 HE1 PHE A 64 26.831 34.813 31.550 1.00 0.00 H new ATOM 0 HE2 PHE A 64 30.165 34.674 34.204 1.00 0.00 H new ATOM 0 HZ PHE A 64 28.801 35.897 32.558 1.00 0.00 H new ATOM 980 N THR A 65 25.864 29.478 31.741 1.00 0.00 N ATOM 981 CA THR A 65 24.977 29.520 30.585 1.00 0.00 C ATOM 982 C THR A 65 23.687 30.265 30.909 1.00 0.00 C ATOM 983 O THR A 65 22.919 29.846 31.776 1.00 0.00 O ATOM 984 CB THR A 65 24.628 28.103 30.093 1.00 0.00 C ATOM 985 OG1 THR A 65 25.822 27.407 29.718 1.00 0.00 O ATOM 986 CG2 THR A 65 23.675 28.160 28.909 1.00 0.00 C ATOM 0 H THR A 65 25.449 29.066 32.577 1.00 0.00 H new ATOM 0 HA THR A 65 25.511 30.049 29.796 1.00 0.00 H new ATOM 0 HB THR A 65 24.138 27.570 30.908 1.00 0.00 H new ATOM 0 HG1 THR A 65 25.592 26.506 29.408 1.00 0.00 H new ATOM 0 HG21 THR A 65 23.443 27.147 28.579 1.00 0.00 H new ATOM 0 HG22 THR A 65 22.755 28.664 29.206 1.00 0.00 H new ATOM 0 HG23 THR A 65 24.142 28.709 28.092 1.00 0.00 H new ATOM 994 N ILE A 66 23.454 31.369 30.208 1.00 0.00 N ATOM 995 CA ILE A 66 22.255 32.170 30.420 1.00 0.00 C ATOM 996 C ILE A 66 21.021 31.471 29.862 1.00 0.00 C ATOM 997 O ILE A 66 21.000 31.054 28.703 1.00 0.00 O ATOM 998 CB ILE A 66 22.384 33.559 29.768 1.00 0.00 C ATOM 999 CG1 ILE A 66 23.710 34.212 30.165 1.00 0.00 C ATOM 1000 CG2 ILE A 66 21.212 34.443 30.168 1.00 0.00 C ATOM 1001 CD1 ILE A 66 23.883 34.368 31.660 1.00 0.00 C ATOM 0 H ILE A 66 24.080 31.729 29.488 1.00 0.00 H new ATOM 0 HA ILE A 66 22.144 32.292 31.497 1.00 0.00 H new ATOM 0 HB ILE A 66 22.370 33.438 28.685 1.00 0.00 H new ATOM 0 HG12 ILE A 66 24.532 33.614 29.773 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.778 35.193 29.695 1.00 0.00 H new ATOM 0 HG21 ILE A 66 21.318 35.421 29.699 1.00 0.00 H new ATOM 0 HG22 ILE A 66 20.280 33.982 29.840 1.00 0.00 H new ATOM 0 HG23 ILE A 66 21.197 34.560 31.252 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.844 34.838 31.868 1.00 0.00 H new ATOM 0 HD12 ILE A 66 23.081 34.992 32.056 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.848 33.387 32.135 1.00 0.00 H new ATOM 1013 N LYS A 67 19.991 31.347 30.692 1.00 0.00 N ATOM 1014 CA LYS A 67 18.750 30.702 30.282 1.00 0.00 C ATOM 1015 C LYS A 67 17.659 31.736 30.021 1.00 0.00 C ATOM 1016 O LYS A 67 17.884 32.938 30.163 1.00 0.00 O ATOM 1017 CB LYS A 67 18.285 29.715 31.356 1.00 0.00 C ATOM 1018 CG LYS A 67 19.325 28.666 31.709 1.00 0.00 C ATOM 1019 CD LYS A 67 19.610 27.745 30.534 1.00 0.00 C ATOM 1020 CE LYS A 67 20.563 26.625 30.921 1.00 0.00 C ATOM 1021 NZ LYS A 67 19.990 25.283 30.627 1.00 0.00 N ATOM 0 H LYS A 67 19.992 31.685 31.654 1.00 0.00 H new ATOM 0 HA LYS A 67 18.941 30.159 29.356 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.020 30.269 32.256 1.00 0.00 H new ATOM 0 HB3 LYS A 67 17.380 29.215 31.011 1.00 0.00 H new ATOM 0 HG2 LYS A 67 20.247 29.157 32.020 1.00 0.00 H new ATOM 0 HG3 LYS A 67 18.976 28.077 32.557 1.00 0.00 H new ATOM 0 HD2 LYS A 67 18.675 27.319 30.170 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.039 28.322 29.714 1.00 0.00 H new ATOM 0 HE2 LYS A 67 21.502 26.745 30.381 1.00 0.00 H new ATOM 0 HE3 LYS A 67 20.795 26.696 31.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 20.670 24.547 30.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 19.107 25.158 31.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 19.793 25.205 29.609 1.00 0.00 H new ATOM 1129 N VAL A 74 19.605 34.848 35.779 1.00 0.00 N ATOM 1130 CA VAL A 74 20.496 34.214 36.743 1.00 0.00 C ATOM 1131 C VAL A 74 21.304 33.097 36.092 1.00 0.00 C ATOM 1132 O VAL A 74 20.790 32.347 35.262 1.00 0.00 O ATOM 1133 CB VAL A 74 19.712 33.637 37.936 1.00 0.00 C ATOM 1134 CG1 VAL A 74 18.980 34.744 38.680 1.00 0.00 C ATOM 1135 CG2 VAL A 74 18.740 32.565 37.467 1.00 0.00 C ATOM 0 HA VAL A 74 21.175 34.987 37.103 1.00 0.00 H new ATOM 0 HB VAL A 74 20.420 33.176 38.625 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.432 34.317 39.520 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.702 35.472 39.050 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.282 35.237 38.004 1.00 0.00 H new ATOM 0 HG21 VAL A 74 18.195 32.168 38.323 1.00 0.00 H new ATOM 0 HG22 VAL A 74 18.035 32.998 36.757 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.293 31.759 36.984 1.00 0.00 H new ATOM 1145 N ALA A 75 22.572 32.991 36.474 1.00 0.00 N ATOM 1146 CA ALA A 75 23.451 31.964 35.930 1.00 0.00 C ATOM 1147 C ALA A 75 23.321 30.660 36.710 1.00 0.00 C ATOM 1148 O ALA A 75 23.431 30.645 37.937 1.00 0.00 O ATOM 1149 CB ALA A 75 24.895 32.445 35.939 1.00 0.00 C ATOM 0 H ALA A 75 23.014 33.604 37.159 1.00 0.00 H new ATOM 0 HA ALA A 75 23.150 31.772 34.900 1.00 0.00 H new ATOM 0 HB1 ALA A 75 25.540 31.667 35.530 1.00 0.00 H new ATOM 0 HB2 ALA A 75 24.982 33.346 35.331 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.198 32.667 36.962 1.00 0.00 H new ATOM 1155 N THR A 76 23.086 29.567 35.992 1.00 0.00 N ATOM 1156 CA THR A 76 22.939 28.258 36.617 1.00 0.00 C ATOM 1157 C THR A 76 24.011 27.291 36.127 1.00 0.00 C ATOM 1158 O THR A 76 24.498 27.407 35.002 1.00 0.00 O ATOM 1159 CB THR A 76 21.551 27.654 36.336 1.00 0.00 C ATOM 1160 OG1 THR A 76 20.738 28.601 35.634 1.00 0.00 O ATOM 1161 CG2 THR A 76 20.864 27.250 37.631 1.00 0.00 C ATOM 0 H THR A 76 22.993 29.562 34.976 1.00 0.00 H new ATOM 0 HA THR A 76 23.051 28.406 37.691 1.00 0.00 H new ATOM 0 HB THR A 76 21.684 26.764 35.721 1.00 0.00 H new ATOM 0 HG1 THR A 76 19.857 28.209 35.457 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.885 26.826 37.407 1.00 0.00 H new ATOM 0 HG22 THR A 76 21.471 26.507 38.149 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.742 28.127 38.267 1.00 0.00 H new ATOM 1169 N ASP A 77 24.373 26.337 36.977 1.00 0.00 N ATOM 1170 CA ASP A 77 25.387 25.347 36.629 1.00 0.00 C ATOM 1171 C ASP A 77 26.714 26.022 36.297 1.00 0.00 C ATOM 1172 O ASP A 77 27.176 25.979 35.157 1.00 0.00 O ATOM 1173 CB ASP A 77 24.919 24.503 35.442 1.00 0.00 C ATOM 1174 CG ASP A 77 25.854 23.346 35.151 1.00 0.00 C ATOM 1175 OD1 ASP A 77 25.841 22.363 35.923 1.00 0.00 O ATOM 1176 OD2 ASP A 77 26.598 23.421 34.152 1.00 0.00 O ATOM 0 H ASP A 77 23.980 26.228 37.912 1.00 0.00 H new ATOM 0 HA ASP A 77 25.536 24.697 37.491 1.00 0.00 H new ATOM 0 HB2 ASP A 77 23.920 24.117 35.646 1.00 0.00 H new ATOM 0 HB3 ASP A 77 24.842 25.136 34.558 1.00 0.00 H new ATOM 1181 N VAL A 78 27.322 26.647 37.301 1.00 0.00 N ATOM 1182 CA VAL A 78 28.596 27.331 37.117 1.00 0.00 C ATOM 1183 C VAL A 78 29.761 26.349 37.179 1.00 0.00 C ATOM 1184 O VAL A 78 29.829 25.507 38.074 1.00 0.00 O ATOM 1185 CB VAL A 78 28.804 28.426 38.180 1.00 0.00 C ATOM 1186 CG1 VAL A 78 30.162 29.088 38.006 1.00 0.00 C ATOM 1187 CG2 VAL A 78 27.687 29.456 38.109 1.00 0.00 C ATOM 0 H VAL A 78 26.952 26.693 38.250 1.00 0.00 H new ATOM 0 HA VAL A 78 28.567 27.794 36.131 1.00 0.00 H new ATOM 0 HB VAL A 78 28.777 27.961 39.166 1.00 0.00 H new ATOM 0 HG11 VAL A 78 30.291 29.859 38.766 1.00 0.00 H new ATOM 0 HG12 VAL A 78 30.948 28.340 38.111 1.00 0.00 H new ATOM 0 HG13 VAL A 78 30.222 29.541 37.016 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.850 30.222 38.867 1.00 0.00 H new ATOM 0 HG22 VAL A 78 27.680 29.918 37.122 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.729 28.967 38.287 1.00 0.00 H new ATOM 1197 N ARG A 79 30.676 26.465 36.222 1.00 0.00 N ATOM 1198 CA ARG A 79 31.839 25.587 36.167 1.00 0.00 C ATOM 1199 C ARG A 79 33.129 26.398 36.079 1.00 0.00 C ATOM 1200 O ARG A 79 33.274 27.262 35.213 1.00 0.00 O ATOM 1201 CB ARG A 79 31.735 24.642 34.969 1.00 0.00 C ATOM 1202 CG ARG A 79 31.594 25.361 33.637 1.00 0.00 C ATOM 1203 CD ARG A 79 31.417 24.378 32.490 1.00 0.00 C ATOM 1204 NE ARG A 79 30.856 25.018 31.303 1.00 0.00 N ATOM 1205 CZ ARG A 79 29.585 25.390 31.200 1.00 0.00 C ATOM 1206 NH1 ARG A 79 28.748 25.187 32.208 1.00 0.00 N ATOM 1207 NH2 ARG A 79 29.149 25.967 30.087 1.00 0.00 N ATOM 0 H ARG A 79 30.635 27.158 35.475 1.00 0.00 H new ATOM 0 HA ARG A 79 31.862 24.998 37.084 1.00 0.00 H new ATOM 0 HB2 ARG A 79 32.622 24.009 34.938 1.00 0.00 H new ATOM 0 HB3 ARG A 79 30.878 23.984 35.110 1.00 0.00 H new ATOM 0 HG2 ARG A 79 30.739 26.035 33.675 1.00 0.00 H new ATOM 0 HG3 ARG A 79 32.477 25.975 33.458 1.00 0.00 H new ATOM 0 HD2 ARG A 79 32.381 23.934 32.241 1.00 0.00 H new ATOM 0 HD3 ARG A 79 30.764 23.565 32.807 1.00 0.00 H new ATOM 0 HE ARG A 79 31.474 25.189 30.510 1.00 0.00 H new ATOM 0 HH11 ARG A 79 29.080 24.744 33.065 1.00 0.00 H new ATOM 0 HH12 ARG A 79 27.772 25.474 32.126 1.00 0.00 H new ATOM 0 HH21 ARG A 79 29.790 26.125 29.310 1.00 0.00 H new ATOM 0 HH22 ARG A 79 28.173 26.252 30.009 1.00 0.00 H new ATOM 1221 N LEU A 80 34.062 26.115 36.981 1.00 0.00 N ATOM 1222 CA LEU A 80 35.340 26.818 37.005 1.00 0.00 C ATOM 1223 C LEU A 80 36.065 26.677 35.671 1.00 0.00 C ATOM 1224 O LEU A 80 36.003 25.630 35.026 1.00 0.00 O ATOM 1225 CB LEU A 80 36.219 26.279 38.135 1.00 0.00 C ATOM 1226 CG LEU A 80 36.310 27.150 39.389 1.00 0.00 C ATOM 1227 CD1 LEU A 80 36.968 26.384 40.525 1.00 0.00 C ATOM 1228 CD2 LEU A 80 37.075 28.432 39.094 1.00 0.00 C ATOM 0 H LEU A 80 33.958 25.404 37.705 1.00 0.00 H new ATOM 0 HA LEU A 80 35.141 27.876 37.179 1.00 0.00 H new ATOM 0 HB2 LEU A 80 35.842 25.298 38.425 1.00 0.00 H new ATOM 0 HB3 LEU A 80 37.226 26.131 37.746 1.00 0.00 H new ATOM 0 HG LEU A 80 35.299 27.417 39.696 1.00 0.00 H new ATOM 0 HD11 LEU A 80 37.024 27.020 41.408 1.00 0.00 H new ATOM 0 HD12 LEU A 80 36.379 25.496 40.754 1.00 0.00 H new ATOM 0 HD13 LEU A 80 37.974 26.086 40.228 1.00 0.00 H new ATOM 0 HD21 LEU A 80 37.130 29.039 39.998 1.00 0.00 H new ATOM 0 HD22 LEU A 80 38.083 28.186 38.761 1.00 0.00 H new ATOM 0 HD23 LEU A 80 36.561 28.991 38.312 1.00 0.00 H new ATOM 1240 N LEU A 81 36.753 27.738 35.262 1.00 0.00 N ATOM 1241 CA LEU A 81 37.492 27.732 34.005 1.00 0.00 C ATOM 1242 C LEU A 81 38.914 27.219 34.211 1.00 0.00 C ATOM 1243 O LEU A 81 39.449 27.228 35.320 1.00 0.00 O ATOM 1244 CB LEU A 81 37.528 29.139 33.406 1.00 0.00 C ATOM 1245 CG LEU A 81 36.301 29.554 32.593 1.00 0.00 C ATOM 1246 CD1 LEU A 81 36.392 31.021 32.201 1.00 0.00 C ATOM 1247 CD2 LEU A 81 36.158 28.677 31.358 1.00 0.00 C ATOM 0 H LEU A 81 36.814 28.613 35.783 1.00 0.00 H new ATOM 0 HA LEU A 81 36.980 27.062 33.314 1.00 0.00 H new ATOM 0 HB2 LEU A 81 37.660 29.854 34.218 1.00 0.00 H new ATOM 0 HB3 LEU A 81 38.407 29.217 32.766 1.00 0.00 H new ATOM 0 HG LEU A 81 35.415 29.420 33.213 1.00 0.00 H new ATOM 0 HD11 LEU A 81 35.510 31.299 31.623 1.00 0.00 H new ATOM 0 HD12 LEU A 81 36.445 31.635 33.100 1.00 0.00 H new ATOM 0 HD13 LEU A 81 37.286 31.182 31.599 1.00 0.00 H new ATOM 0 HD21 LEU A 81 35.280 28.987 30.792 1.00 0.00 H new ATOM 0 HD22 LEU A 81 37.046 28.779 30.735 1.00 0.00 H new ATOM 0 HD23 LEU A 81 36.045 27.636 31.662 1.00 0.00 H new ATOM 1259 N PRO A 82 39.542 26.761 33.119 1.00 0.00 N ATOM 1260 CA PRO A 82 40.911 26.238 33.154 1.00 0.00 C ATOM 1261 C PRO A 82 41.944 27.330 33.410 1.00 0.00 C ATOM 1262 O PRO A 82 41.591 28.476 33.688 1.00 0.00 O ATOM 1263 CB PRO A 82 41.099 25.642 31.756 1.00 0.00 C ATOM 1264 CG PRO A 82 40.147 26.394 30.892 1.00 0.00 C ATOM 1265 CD PRO A 82 38.966 26.720 31.764 1.00 0.00 C ATOM 0 HA PRO A 82 41.051 25.520 33.962 1.00 0.00 H new ATOM 0 HB2 PRO A 82 42.126 25.761 31.410 1.00 0.00 H new ATOM 0 HB3 PRO A 82 40.881 24.574 31.749 1.00 0.00 H new ATOM 0 HG2 PRO A 82 40.607 27.302 30.503 1.00 0.00 H new ATOM 0 HG3 PRO A 82 39.844 25.796 30.032 1.00 0.00 H new ATOM 0 HD2 PRO A 82 38.516 27.674 31.490 1.00 0.00 H new ATOM 0 HD3 PRO A 82 38.185 25.964 31.682 1.00 0.00 H new