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 Set 1.1: A 26 MET CE :methyl 147:sc= -0.016 (180deg=-0.88) USER MOD Set 1.2: A 46 TYR OH : rot 165:sc=-0.00267 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0584 X(o=-0.058,f=-0.0054) USER MOD Single : A 24 CYS SG : rot -13:sc= 0.0382 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.39) USER MOD Single : A 47 SER OG : rot 78:sc= 1.09 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 64:sc= -0.155 USER MOD Single : A 57 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.79) 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 -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 271 N CYS A 19 28.626 31.890 28.311 1.00 0.00 N ATOM 272 CA CYS A 19 29.384 33.078 28.689 1.00 0.00 C ATOM 273 C CYS A 19 30.172 32.834 29.972 1.00 0.00 C ATOM 274 O CYS A 19 29.681 32.192 30.900 1.00 0.00 O ATOM 275 CB CYS A 19 28.444 34.271 28.872 1.00 0.00 C ATOM 276 SG CYS A 19 28.056 35.147 27.339 1.00 0.00 S ATOM 0 HA CYS A 19 30.089 33.300 27.888 1.00 0.00 H new ATOM 0 HB2 CYS A 19 27.515 33.922 29.324 1.00 0.00 H new ATOM 0 HB3 CYS A 19 28.896 34.972 29.574 1.00 0.00 H new ATOM 0 HG CYS A 19 27.254 36.137 27.596 1.00 0.00 H new ATOM 282 N GLN A 20 31.396 33.350 30.015 1.00 0.00 N ATOM 283 CA GLN A 20 32.254 33.186 31.183 1.00 0.00 C ATOM 284 C GLN A 20 32.691 34.540 31.732 1.00 0.00 C ATOM 285 O GLN A 20 32.555 35.564 31.064 1.00 0.00 O ATOM 286 CB GLN A 20 33.481 32.346 30.827 1.00 0.00 C ATOM 287 CG GLN A 20 34.484 33.076 29.949 1.00 0.00 C ATOM 288 CD GLN A 20 35.051 32.196 28.853 1.00 0.00 C ATOM 289 OE1 GLN A 20 36.254 31.940 28.805 1.00 0.00 O ATOM 290 NE2 GLN A 20 34.184 31.726 27.963 1.00 0.00 N ATOM 0 H GLN A 20 31.816 33.885 29.255 1.00 0.00 H new ATOM 0 HA GLN A 20 31.681 32.670 31.954 1.00 0.00 H new ATOM 0 HB2 GLN A 20 33.976 32.033 31.746 1.00 0.00 H new ATOM 0 HB3 GLN A 20 33.155 31.440 30.316 1.00 0.00 H new ATOM 0 HG2 GLN A 20 34.003 33.945 29.499 1.00 0.00 H new ATOM 0 HG3 GLN A 20 35.300 33.449 30.569 1.00 0.00 H new ATOM 0 HE21 GLN A 20 33.195 31.963 28.040 1.00 0.00 H new ATOM 0 HE22 GLN A 20 34.507 31.128 27.203 1.00 0.00 H new ATOM 299 N GLY A 21 33.216 34.536 32.953 1.00 0.00 N ATOM 300 CA GLY A 21 33.665 35.770 33.571 1.00 0.00 C ATOM 301 C GLY A 21 34.646 35.529 34.701 1.00 0.00 C ATOM 302 O GLY A 21 35.459 34.607 34.641 1.00 0.00 O ATOM 0 H GLY A 21 33.338 33.701 33.525 1.00 0.00 H new ATOM 0 HA2 GLY A 21 34.133 36.401 32.816 1.00 0.00 H new ATOM 0 HA3 GLY A 21 32.803 36.316 33.953 1.00 0.00 H new ATOM 306 N VAL A 22 34.573 36.362 35.734 1.00 0.00 N ATOM 307 CA VAL A 22 35.462 36.236 36.883 1.00 0.00 C ATOM 308 C VAL A 22 34.732 36.558 38.181 1.00 0.00 C ATOM 309 O VAL A 22 33.993 37.540 38.264 1.00 0.00 O ATOM 310 CB VAL A 22 36.685 37.163 36.750 1.00 0.00 C ATOM 311 CG1 VAL A 22 37.585 37.038 37.970 1.00 0.00 C ATOM 312 CG2 VAL A 22 37.454 36.851 35.475 1.00 0.00 C ATOM 0 H VAL A 22 33.907 37.132 35.799 1.00 0.00 H new ATOM 0 HA VAL A 22 35.801 35.200 36.909 1.00 0.00 H new ATOM 0 HB VAL A 22 36.334 38.193 36.692 1.00 0.00 H new ATOM 0 HG11 VAL A 22 38.444 37.700 37.858 1.00 0.00 H new ATOM 0 HG12 VAL A 22 37.027 37.316 38.864 1.00 0.00 H new ATOM 0 HG13 VAL A 22 37.931 36.008 38.063 1.00 0.00 H new ATOM 0 HG21 VAL A 22 38.315 37.515 35.397 1.00 0.00 H new ATOM 0 HG22 VAL A 22 37.796 35.816 35.500 1.00 0.00 H new ATOM 0 HG23 VAL A 22 36.804 36.998 34.613 1.00 0.00 H new ATOM 322 N VAL A 23 34.944 35.726 39.196 1.00 0.00 N ATOM 323 CA VAL A 23 34.308 35.923 40.493 1.00 0.00 C ATOM 324 C VAL A 23 34.675 37.279 41.085 1.00 0.00 C ATOM 325 O VAL A 23 35.788 37.472 41.576 1.00 0.00 O ATOM 326 CB VAL A 23 34.706 34.816 41.487 1.00 0.00 C ATOM 327 CG1 VAL A 23 33.979 35.001 42.811 1.00 0.00 C ATOM 328 CG2 VAL A 23 34.417 33.443 40.899 1.00 0.00 C ATOM 0 H VAL A 23 35.552 34.909 39.145 1.00 0.00 H new ATOM 0 HA VAL A 23 33.231 35.882 40.327 1.00 0.00 H new ATOM 0 HB VAL A 23 35.777 34.888 41.674 1.00 0.00 H new ATOM 0 HG11 VAL A 23 34.273 34.210 43.501 1.00 0.00 H new ATOM 0 HG12 VAL A 23 34.240 35.970 43.237 1.00 0.00 H new ATOM 0 HG13 VAL A 23 32.903 34.956 42.644 1.00 0.00 H new ATOM 0 HG21 VAL A 23 34.704 32.673 41.615 1.00 0.00 H new ATOM 0 HG22 VAL A 23 33.352 33.357 40.681 1.00 0.00 H new ATOM 0 HG23 VAL A 23 34.987 33.314 39.979 1.00 0.00 H new ATOM 338 N CYS A 24 33.733 38.214 41.036 1.00 0.00 N ATOM 339 CA CYS A 24 33.957 39.554 41.567 1.00 0.00 C ATOM 340 C CYS A 24 33.440 39.665 42.998 1.00 0.00 C ATOM 341 O CYS A 24 34.010 40.380 43.821 1.00 0.00 O ATOM 342 CB CYS A 24 33.274 40.597 40.682 1.00 0.00 C ATOM 343 SG CYS A 24 33.388 42.288 41.313 1.00 0.00 S ATOM 0 H CYS A 24 32.807 38.069 40.634 1.00 0.00 H new ATOM 0 HA CYS A 24 35.031 39.741 41.573 1.00 0.00 H new ATOM 0 HB2 CYS A 24 33.718 40.561 39.687 1.00 0.00 H new ATOM 0 HB3 CYS A 24 32.223 40.332 40.571 1.00 0.00 H new ATOM 0 HG CYS A 24 33.805 42.265 42.544 1.00 0.00 H new ATOM 349 N ALA A 25 32.355 38.953 43.286 1.00 0.00 N ATOM 350 CA ALA A 25 31.760 38.971 44.616 1.00 0.00 C ATOM 351 C ALA A 25 32.017 37.659 45.350 1.00 0.00 C ATOM 352 O ALA A 25 32.163 36.608 44.728 1.00 0.00 O ATOM 353 CB ALA A 25 30.266 39.243 44.523 1.00 0.00 C ATOM 0 H ALA A 25 31.870 38.356 42.615 1.00 0.00 H new ATOM 0 HA ALA A 25 32.229 39.773 45.186 1.00 0.00 H new ATOM 0 HB1 ALA A 25 29.835 39.254 45.524 1.00 0.00 H new ATOM 0 HB2 ALA A 25 30.101 40.210 44.047 1.00 0.00 H new ATOM 0 HB3 ALA A 25 29.790 38.461 43.931 1.00 0.00 H new ATOM 359 N MET A 26 32.070 37.729 46.676 1.00 0.00 N ATOM 360 CA MET A 26 32.308 36.546 47.494 1.00 0.00 C ATOM 361 C MET A 26 31.425 36.558 48.738 1.00 0.00 C ATOM 362 O MET A 26 31.467 37.497 49.533 1.00 0.00 O ATOM 363 CB MET A 26 33.781 36.469 47.901 1.00 0.00 C ATOM 364 CG MET A 26 34.580 35.452 47.102 1.00 0.00 C ATOM 365 SD MET A 26 35.261 34.138 48.132 1.00 0.00 S ATOM 366 CE MET A 26 35.012 32.715 47.074 1.00 0.00 C ATOM 0 H MET A 26 31.951 38.592 47.207 1.00 0.00 H new ATOM 0 HA MET A 26 32.056 35.668 46.900 1.00 0.00 H new ATOM 0 HB2 MET A 26 34.235 37.452 47.779 1.00 0.00 H new ATOM 0 HB3 MET A 26 33.844 36.218 48.960 1.00 0.00 H new ATOM 0 HG2 MET A 26 33.940 35.013 46.337 1.00 0.00 H new ATOM 0 HG3 MET A 26 35.393 35.961 46.584 1.00 0.00 H new ATOM 0 HE1 MET A 26 35.820 32.000 47.230 1.00 0.00 H new ATOM 0 HE2 MET A 26 34.059 32.244 47.316 1.00 0.00 H new ATOM 0 HE3 MET A 26 35.005 33.033 46.032 1.00 0.00 H new ATOM 376 N LYS A 27 30.625 35.509 48.901 1.00 0.00 N ATOM 377 CA LYS A 27 29.732 35.398 50.048 1.00 0.00 C ATOM 378 C LYS A 27 29.566 33.941 50.469 1.00 0.00 C ATOM 379 O LYS A 27 30.074 33.034 49.810 1.00 0.00 O ATOM 380 CB LYS A 27 28.366 36.003 49.718 1.00 0.00 C ATOM 381 CG LYS A 27 27.760 36.798 50.861 1.00 0.00 C ATOM 382 CD LYS A 27 26.248 36.655 50.900 1.00 0.00 C ATOM 383 CE LYS A 27 25.608 37.737 51.757 1.00 0.00 C ATOM 384 NZ LYS A 27 24.611 37.173 52.708 1.00 0.00 N ATOM 0 H LYS A 27 30.577 34.723 48.252 1.00 0.00 H new ATOM 0 HA LYS A 27 30.176 35.950 50.877 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.466 36.652 48.848 1.00 0.00 H new ATOM 0 HB3 LYS A 27 27.681 35.202 49.441 1.00 0.00 H new ATOM 0 HG2 LYS A 27 28.183 36.458 51.806 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.024 37.850 50.754 1.00 0.00 H new ATOM 0 HD2 LYS A 27 25.850 36.709 49.887 1.00 0.00 H new ATOM 0 HD3 LYS A 27 25.984 35.674 51.294 1.00 0.00 H new ATOM 0 HE2 LYS A 27 26.382 38.265 52.313 1.00 0.00 H new ATOM 0 HE3 LYS A 27 25.122 38.470 51.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 24.197 37.941 53.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 23.858 36.691 52.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 25.080 36.492 53.339 1.00 0.00 H new ATOM 398 N GLU A 28 28.852 33.725 51.569 1.00 0.00 N ATOM 399 CA GLU A 28 28.620 32.378 52.076 1.00 0.00 C ATOM 400 C GLU A 28 27.220 31.892 51.709 1.00 0.00 C ATOM 401 O GLU A 28 26.507 31.333 52.542 1.00 0.00 O ATOM 402 CB GLU A 28 28.801 32.342 53.595 1.00 0.00 C ATOM 403 CG GLU A 28 30.251 32.450 54.038 1.00 0.00 C ATOM 404 CD GLU A 28 30.497 31.813 55.391 1.00 0.00 C ATOM 405 OE1 GLU A 28 29.960 30.713 55.636 1.00 0.00 O ATOM 406 OE2 GLU A 28 31.226 32.416 56.206 1.00 0.00 O ATOM 0 H GLU A 28 28.425 34.465 52.126 1.00 0.00 H new ATOM 0 HA GLU A 28 29.350 31.713 51.614 1.00 0.00 H new ATOM 0 HB2 GLU A 28 28.232 33.159 54.040 1.00 0.00 H new ATOM 0 HB3 GLU A 28 28.380 31.413 53.981 1.00 0.00 H new ATOM 0 HG2 GLU A 28 30.890 31.974 53.295 1.00 0.00 H new ATOM 0 HG3 GLU A 28 30.537 33.501 54.078 1.00 0.00 H new ATOM 413 N ALA A 29 26.835 32.111 50.456 1.00 0.00 N ATOM 414 CA ALA A 29 25.523 31.695 49.977 1.00 0.00 C ATOM 415 C ALA A 29 25.391 31.917 48.474 1.00 0.00 C ATOM 416 O ALA A 29 24.927 31.040 47.745 1.00 0.00 O ATOM 417 CB ALA A 29 24.427 32.443 50.722 1.00 0.00 C ATOM 0 H ALA A 29 27.413 32.574 49.755 1.00 0.00 H new ATOM 0 HA ALA A 29 25.415 30.628 50.171 1.00 0.00 H new ATOM 0 HB1 ALA A 29 23.453 32.122 50.354 1.00 0.00 H new ATOM 0 HB2 ALA A 29 24.500 32.229 51.788 1.00 0.00 H new ATOM 0 HB3 ALA A 29 24.542 33.515 50.558 1.00 0.00 H new ATOM 423 N PHE A 30 25.800 33.096 48.017 1.00 0.00 N ATOM 424 CA PHE A 30 25.726 33.434 46.600 1.00 0.00 C ATOM 425 C PHE A 30 26.760 34.497 46.240 1.00 0.00 C ATOM 426 O PHE A 30 27.372 35.106 47.117 1.00 0.00 O ATOM 427 CB PHE A 30 24.323 33.930 46.246 1.00 0.00 C ATOM 428 CG PHE A 30 23.782 34.942 47.215 1.00 0.00 C ATOM 429 CD1 PHE A 30 24.382 36.184 47.347 1.00 0.00 C ATOM 430 CD2 PHE A 30 22.674 34.651 47.994 1.00 0.00 C ATOM 431 CE1 PHE A 30 23.887 37.117 48.239 1.00 0.00 C ATOM 432 CE2 PHE A 30 22.174 35.580 48.888 1.00 0.00 C ATOM 433 CZ PHE A 30 22.781 36.815 49.009 1.00 0.00 C ATOM 0 H PHE A 30 26.186 33.833 48.607 1.00 0.00 H new ATOM 0 HA PHE A 30 25.942 32.534 46.025 1.00 0.00 H new ATOM 0 HB2 PHE A 30 24.342 34.369 45.248 1.00 0.00 H new ATOM 0 HB3 PHE A 30 23.644 33.078 46.206 1.00 0.00 H new ATOM 0 HD1 PHE A 30 25.246 36.426 46.746 1.00 0.00 H new ATOM 0 HD2 PHE A 30 22.195 33.687 47.902 1.00 0.00 H new ATOM 0 HE1 PHE A 30 24.365 38.081 48.334 1.00 0.00 H new ATOM 0 HE2 PHE A 30 21.310 35.340 49.491 1.00 0.00 H new ATOM 0 HZ PHE A 30 22.391 37.543 49.705 1.00 0.00 H new ATOM 443 N GLY A 31 26.950 34.713 44.942 1.00 0.00 N ATOM 444 CA GLY A 31 27.911 35.701 44.488 1.00 0.00 C ATOM 445 C GLY A 31 27.620 36.190 43.083 1.00 0.00 C ATOM 446 O GLY A 31 26.614 35.811 42.482 1.00 0.00 O ATOM 0 H GLY A 31 26.456 34.222 44.197 1.00 0.00 H new ATOM 0 HA2 GLY A 31 27.907 36.549 45.173 1.00 0.00 H new ATOM 0 HA3 GLY A 31 28.912 35.271 44.520 1.00 0.00 H new ATOM 450 N PHE A 32 28.502 37.033 42.557 1.00 0.00 N ATOM 451 CA PHE A 32 28.333 37.577 41.214 1.00 0.00 C ATOM 452 C PHE A 32 29.561 37.292 40.354 1.00 0.00 C ATOM 453 O PHE A 32 30.569 36.781 40.843 1.00 0.00 O ATOM 454 CB PHE A 32 28.080 39.084 41.278 1.00 0.00 C ATOM 455 CG PHE A 32 26.803 39.448 41.980 1.00 0.00 C ATOM 456 CD1 PHE A 32 26.769 39.583 43.359 1.00 0.00 C ATOM 457 CD2 PHE A 32 25.637 39.655 41.261 1.00 0.00 C ATOM 458 CE1 PHE A 32 25.595 39.919 44.008 1.00 0.00 C ATOM 459 CE2 PHE A 32 24.460 39.990 41.905 1.00 0.00 C ATOM 460 CZ PHE A 32 24.439 40.121 43.280 1.00 0.00 C ATOM 0 H PHE A 32 29.341 37.354 43.040 1.00 0.00 H new ATOM 0 HA PHE A 32 27.470 37.091 40.758 1.00 0.00 H new ATOM 0 HB2 PHE A 32 28.915 39.563 41.789 1.00 0.00 H new ATOM 0 HB3 PHE A 32 28.055 39.483 40.264 1.00 0.00 H new ATOM 0 HD1 PHE A 32 27.670 39.424 43.933 1.00 0.00 H new ATOM 0 HD2 PHE A 32 25.647 39.554 40.186 1.00 0.00 H new ATOM 0 HE1 PHE A 32 25.582 40.023 45.083 1.00 0.00 H new ATOM 0 HE2 PHE A 32 23.558 40.149 41.333 1.00 0.00 H new ATOM 0 HZ PHE A 32 23.520 40.381 43.785 1.00 0.00 H new ATOM 470 N ILE A 33 29.468 37.625 39.071 1.00 0.00 N ATOM 471 CA ILE A 33 30.570 37.406 38.143 1.00 0.00 C ATOM 472 C ILE A 33 30.644 38.520 37.104 1.00 0.00 C ATOM 473 O ILE A 33 29.626 38.927 36.544 1.00 0.00 O ATOM 474 CB ILE A 33 30.437 36.053 37.420 1.00 0.00 C ATOM 475 CG1 ILE A 33 30.166 34.935 38.430 1.00 0.00 C ATOM 476 CG2 ILE A 33 31.695 35.756 36.617 1.00 0.00 C ATOM 477 CD1 ILE A 33 29.943 33.584 37.789 1.00 0.00 C ATOM 0 H ILE A 33 28.640 38.048 38.651 1.00 0.00 H new ATOM 0 HA ILE A 33 31.485 37.404 38.735 1.00 0.00 H new ATOM 0 HB ILE A 33 29.594 36.107 36.731 1.00 0.00 H new ATOM 0 HG12 ILE A 33 31.008 34.867 39.119 1.00 0.00 H new ATOM 0 HG13 ILE A 33 29.289 35.196 39.023 1.00 0.00 H new ATOM 0 HG21 ILE A 33 31.586 34.796 36.112 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.848 36.541 35.876 1.00 0.00 H new ATOM 0 HG23 ILE A 33 32.554 35.718 37.287 1.00 0.00 H new ATOM 0 HD11 ILE A 33 29.757 32.840 38.564 1.00 0.00 H new ATOM 0 HD12 ILE A 33 29.083 33.636 37.121 1.00 0.00 H new ATOM 0 HD13 ILE A 33 30.828 33.301 37.219 1.00 0.00 H new ATOM 489 N GLU A 34 31.854 39.007 36.851 1.00 0.00 N ATOM 490 CA GLU A 34 32.060 40.073 35.878 1.00 0.00 C ATOM 491 C GLU A 34 32.599 39.514 34.564 1.00 0.00 C ATOM 492 O GLU A 34 33.308 38.508 34.550 1.00 0.00 O ATOM 493 CB GLU A 34 33.026 41.122 36.433 1.00 0.00 C ATOM 494 CG GLU A 34 32.370 42.461 36.723 1.00 0.00 C ATOM 495 CD GLU A 34 32.594 43.473 35.616 1.00 0.00 C ATOM 496 OE1 GLU A 34 32.998 43.059 34.509 1.00 0.00 O ATOM 497 OE2 GLU A 34 32.367 44.677 35.857 1.00 0.00 O ATOM 0 H GLU A 34 32.706 38.681 37.306 1.00 0.00 H new ATOM 0 HA GLU A 34 31.096 40.544 35.685 1.00 0.00 H new ATOM 0 HB2 GLU A 34 33.475 40.741 37.350 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.836 41.271 35.719 1.00 0.00 H new ATOM 0 HG2 GLU A 34 31.299 42.314 36.864 1.00 0.00 H new ATOM 0 HG3 GLU A 34 32.763 42.859 37.659 1.00 0.00 H new ATOM 601 N GLU A 41 26.783 41.560 34.009 1.00 0.00 N ATOM 602 CA GLU A 41 26.984 40.638 35.120 1.00 0.00 C ATOM 603 C GLU A 41 25.725 39.816 35.380 1.00 0.00 C ATOM 604 O GLU A 41 24.645 40.142 34.886 1.00 0.00 O ATOM 605 CB GLU A 41 27.375 41.406 36.384 1.00 0.00 C ATOM 606 CG GLU A 41 26.259 42.276 36.938 1.00 0.00 C ATOM 607 CD GLU A 41 26.732 43.671 37.299 1.00 0.00 C ATOM 608 OE1 GLU A 41 27.256 43.847 38.419 1.00 0.00 O ATOM 609 OE2 GLU A 41 26.578 44.585 36.463 1.00 0.00 O ATOM 0 HA GLU A 41 27.792 39.957 34.852 1.00 0.00 H new ATOM 0 HB2 GLU A 41 27.684 40.695 37.150 1.00 0.00 H new ATOM 0 HB3 GLU A 41 28.239 42.034 36.165 1.00 0.00 H new ATOM 0 HG2 GLU A 41 25.459 42.347 36.201 1.00 0.00 H new ATOM 0 HG3 GLU A 41 25.837 41.799 37.823 1.00 0.00 H new ATOM 616 N ILE A 42 25.872 38.749 36.159 1.00 0.00 N ATOM 617 CA ILE A 42 24.748 37.881 36.485 1.00 0.00 C ATOM 618 C ILE A 42 24.848 37.367 37.917 1.00 0.00 C ATOM 619 O ILE A 42 25.893 37.483 38.558 1.00 0.00 O ATOM 620 CB ILE A 42 24.667 36.680 35.524 1.00 0.00 C ATOM 621 CG1 ILE A 42 25.668 35.599 35.938 1.00 0.00 C ATOM 622 CG2 ILE A 42 24.924 37.128 34.093 1.00 0.00 C ATOM 623 CD1 ILE A 42 27.098 36.088 35.989 1.00 0.00 C ATOM 0 H ILE A 42 26.759 38.465 36.576 1.00 0.00 H new ATOM 0 HA ILE A 42 23.844 38.481 36.380 1.00 0.00 H new ATOM 0 HB ILE A 42 23.663 36.258 35.577 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.389 35.213 36.919 1.00 0.00 H new ATOM 0 HG13 ILE A 42 25.602 34.766 35.238 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.863 36.268 33.426 1.00 0.00 H new ATOM 0 HG22 ILE A 42 24.176 37.866 33.803 1.00 0.00 H new ATOM 0 HG23 ILE A 42 25.917 37.572 34.023 1.00 0.00 H new ATOM 0 HD11 ILE A 42 27.752 35.269 36.289 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.395 36.447 35.004 1.00 0.00 H new ATOM 0 HD13 ILE A 42 27.179 36.901 36.711 1.00 0.00 H new ATOM 635 N PHE A 43 23.755 36.796 38.412 1.00 0.00 N ATOM 636 CA PHE A 43 23.719 36.262 39.769 1.00 0.00 C ATOM 637 C PHE A 43 23.682 34.737 39.752 1.00 0.00 C ATOM 638 O PHE A 43 22.845 34.132 39.081 1.00 0.00 O ATOM 639 CB PHE A 43 22.503 36.805 40.522 1.00 0.00 C ATOM 640 CG PHE A 43 22.293 36.165 41.864 1.00 0.00 C ATOM 641 CD1 PHE A 43 21.544 35.006 41.984 1.00 0.00 C ATOM 642 CD2 PHE A 43 22.846 36.723 43.006 1.00 0.00 C ATOM 643 CE1 PHE A 43 21.350 34.414 43.218 1.00 0.00 C ATOM 644 CE2 PHE A 43 22.656 36.135 44.242 1.00 0.00 C ATOM 645 CZ PHE A 43 21.906 34.980 44.349 1.00 0.00 C ATOM 0 H PHE A 43 22.883 36.691 37.894 1.00 0.00 H new ATOM 0 HA PHE A 43 24.626 36.580 40.282 1.00 0.00 H new ATOM 0 HB2 PHE A 43 22.619 37.881 40.656 1.00 0.00 H new ATOM 0 HB3 PHE A 43 21.612 36.654 39.913 1.00 0.00 H new ATOM 0 HD1 PHE A 43 21.106 34.560 41.103 1.00 0.00 H new ATOM 0 HD2 PHE A 43 23.432 37.627 42.929 1.00 0.00 H new ATOM 0 HE1 PHE A 43 20.764 33.510 43.298 1.00 0.00 H new ATOM 0 HE2 PHE A 43 23.094 36.578 45.124 1.00 0.00 H new ATOM 0 HZ PHE A 43 21.755 34.520 45.315 1.00 0.00 H new ATOM 655 N PHE A 44 24.595 34.121 40.495 1.00 0.00 N ATOM 656 CA PHE A 44 24.669 32.666 40.565 1.00 0.00 C ATOM 657 C PHE A 44 24.724 32.194 42.015 1.00 0.00 C ATOM 658 O PHE A 44 25.146 32.933 42.905 1.00 0.00 O ATOM 659 CB PHE A 44 25.896 32.159 39.805 1.00 0.00 C ATOM 660 CG PHE A 44 27.193 32.429 40.512 1.00 0.00 C ATOM 661 CD1 PHE A 44 27.672 33.723 40.641 1.00 0.00 C ATOM 662 CD2 PHE A 44 27.934 31.388 41.050 1.00 0.00 C ATOM 663 CE1 PHE A 44 28.865 33.974 41.291 1.00 0.00 C ATOM 664 CE2 PHE A 44 29.129 31.633 41.701 1.00 0.00 C ATOM 665 CZ PHE A 44 29.594 32.928 41.822 1.00 0.00 C ATOM 0 H PHE A 44 25.294 34.606 41.057 1.00 0.00 H new ATOM 0 HA PHE A 44 23.770 32.259 40.102 1.00 0.00 H new ATOM 0 HB2 PHE A 44 25.796 31.086 39.644 1.00 0.00 H new ATOM 0 HB3 PHE A 44 25.923 32.628 38.821 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.106 34.545 40.228 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.574 30.374 40.960 1.00 0.00 H new ATOM 0 HE1 PHE A 44 29.227 34.987 41.384 1.00 0.00 H new ATOM 0 HE2 PHE A 44 29.698 30.813 42.114 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.526 33.122 42.331 1.00 0.00 H new ATOM 675 N HIS A 45 24.294 30.957 42.245 1.00 0.00 N ATOM 676 CA HIS A 45 24.294 30.384 43.587 1.00 0.00 C ATOM 677 C HIS A 45 25.360 29.300 43.715 1.00 0.00 C ATOM 678 O HIS A 45 25.585 28.524 42.785 1.00 0.00 O ATOM 679 CB HIS A 45 22.918 29.806 43.917 1.00 0.00 C ATOM 680 CG HIS A 45 22.363 30.288 45.221 1.00 0.00 C ATOM 681 ND1 HIS A 45 22.686 29.718 46.434 1.00 0.00 N ATOM 682 CD2 HIS A 45 21.502 31.296 45.499 1.00 0.00 C ATOM 683 CE1 HIS A 45 22.047 30.352 47.401 1.00 0.00 C ATOM 684 NE2 HIS A 45 21.322 31.314 46.860 1.00 0.00 N ATOM 0 H HIS A 45 23.941 30.332 41.520 1.00 0.00 H new ATOM 0 HA HIS A 45 24.524 31.180 44.296 1.00 0.00 H new ATOM 0 HB2 HIS A 45 22.223 30.065 43.118 1.00 0.00 H new ATOM 0 HB3 HIS A 45 22.986 28.718 43.940 1.00 0.00 H new ATOM 0 HD2 HIS A 45 21.043 31.962 44.783 1.00 0.00 H new ATOM 0 HE1 HIS A 45 22.107 30.123 48.455 1.00 0.00 H new ATOM 0 HE2 HIS A 45 20.725 31.965 47.370 1.00 0.00 H new ATOM 692 N TYR A 46 26.012 29.252 44.870 1.00 0.00 N ATOM 693 CA TYR A 46 27.056 28.265 45.118 1.00 0.00 C ATOM 694 C TYR A 46 26.501 26.847 45.018 1.00 0.00 C ATOM 695 O TYR A 46 27.221 25.909 44.680 1.00 0.00 O ATOM 696 CB TYR A 46 27.677 28.484 46.499 1.00 0.00 C ATOM 697 CG TYR A 46 28.732 29.567 46.524 1.00 0.00 C ATOM 698 CD1 TYR A 46 29.964 29.379 45.910 1.00 0.00 C ATOM 699 CD2 TYR A 46 28.495 30.780 47.160 1.00 0.00 C ATOM 700 CE1 TYR A 46 30.930 30.366 45.931 1.00 0.00 C ATOM 701 CE2 TYR A 46 29.455 31.773 47.185 1.00 0.00 C ATOM 702 CZ TYR A 46 30.671 31.561 46.569 1.00 0.00 C ATOM 703 OH TYR A 46 31.631 32.547 46.591 1.00 0.00 O ATOM 0 H TYR A 46 25.836 29.885 45.650 1.00 0.00 H new ATOM 0 HA TYR A 46 27.826 28.390 44.356 1.00 0.00 H new ATOM 0 HB2 TYR A 46 26.888 28.741 47.206 1.00 0.00 H new ATOM 0 HB3 TYR A 46 28.120 27.549 46.841 1.00 0.00 H new ATOM 0 HD1 TYR A 46 30.170 28.445 45.408 1.00 0.00 H new ATOM 0 HD2 TYR A 46 27.544 30.949 47.643 1.00 0.00 H new ATOM 0 HE1 TYR A 46 31.883 30.203 45.450 1.00 0.00 H new ATOM 0 HE2 TYR A 46 29.255 32.710 47.684 1.00 0.00 H new ATOM 0 HH TYR A 46 31.222 33.396 46.859 1.00 0.00 H new ATOM 713 N SER A 47 25.213 26.701 45.313 1.00 0.00 N ATOM 714 CA SER A 47 24.559 25.399 45.259 1.00 0.00 C ATOM 715 C SER A 47 24.723 24.766 43.880 1.00 0.00 C ATOM 716 O SER A 47 24.833 23.546 43.756 1.00 0.00 O ATOM 717 CB SER A 47 23.073 25.536 45.596 1.00 0.00 C ATOM 718 OG SER A 47 22.432 26.444 44.717 1.00 0.00 O ATOM 0 H SER A 47 24.602 27.469 45.592 1.00 0.00 H new ATOM 0 HA SER A 47 25.033 24.751 45.996 1.00 0.00 H new ATOM 0 HB2 SER A 47 22.591 24.561 45.531 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.960 25.880 46.624 1.00 0.00 H new ATOM 0 HG SER A 47 22.267 26.005 43.857 1.00 0.00 H new ATOM 724 N GLU A 48 24.738 25.604 42.849 1.00 0.00 N ATOM 725 CA GLU A 48 24.887 25.126 41.479 1.00 0.00 C ATOM 726 C GLU A 48 26.359 25.059 41.084 1.00 0.00 C ATOM 727 O GLU A 48 26.745 24.275 40.217 1.00 0.00 O ATOM 728 CB GLU A 48 24.129 26.038 40.512 1.00 0.00 C ATOM 729 CG GLU A 48 22.768 25.498 40.106 1.00 0.00 C ATOM 730 CD GLU A 48 21.978 24.962 41.284 1.00 0.00 C ATOM 731 OE1 GLU A 48 21.833 25.695 42.284 1.00 0.00 O ATOM 732 OE2 GLU A 48 21.505 23.809 41.204 1.00 0.00 O ATOM 0 H GLU A 48 24.649 26.616 42.936 1.00 0.00 H new ATOM 0 HA GLU A 48 24.468 24.121 41.424 1.00 0.00 H new ATOM 0 HB2 GLU A 48 23.999 27.016 40.975 1.00 0.00 H new ATOM 0 HB3 GLU A 48 24.733 26.187 39.617 1.00 0.00 H new ATOM 0 HG2 GLU A 48 22.197 26.290 39.621 1.00 0.00 H new ATOM 0 HG3 GLU A 48 22.901 24.704 39.371 1.00 0.00 H new ATOM 739 N PHE A 49 27.177 25.886 41.727 1.00 0.00 N ATOM 740 CA PHE A 49 28.607 25.922 41.442 1.00 0.00 C ATOM 741 C PHE A 49 29.212 24.524 41.519 1.00 0.00 C ATOM 742 O PHE A 49 28.979 23.785 42.476 1.00 0.00 O ATOM 743 CB PHE A 49 29.320 26.854 42.424 1.00 0.00 C ATOM 744 CG PHE A 49 30.818 26.802 42.319 1.00 0.00 C ATOM 745 CD1 PHE A 49 31.464 27.296 41.197 1.00 0.00 C ATOM 746 CD2 PHE A 49 31.579 26.261 43.342 1.00 0.00 C ATOM 747 CE1 PHE A 49 32.841 27.249 41.097 1.00 0.00 C ATOM 748 CE2 PHE A 49 32.957 26.211 43.248 1.00 0.00 C ATOM 749 CZ PHE A 49 33.589 26.707 42.124 1.00 0.00 C ATOM 0 H PHE A 49 26.874 26.540 42.449 1.00 0.00 H new ATOM 0 HA PHE A 49 28.741 26.301 40.429 1.00 0.00 H new ATOM 0 HB2 PHE A 49 28.987 27.877 42.249 1.00 0.00 H new ATOM 0 HB3 PHE A 49 29.026 26.592 43.440 1.00 0.00 H new ATOM 0 HD1 PHE A 49 30.884 27.723 40.392 1.00 0.00 H new ATOM 0 HD2 PHE A 49 31.090 25.874 44.224 1.00 0.00 H new ATOM 0 HE1 PHE A 49 33.332 27.636 40.216 1.00 0.00 H new ATOM 0 HE2 PHE A 49 33.539 25.785 44.052 1.00 0.00 H new ATOM 0 HZ PHE A 49 34.666 26.671 42.048 1.00 0.00 H new ATOM 759 N LYS A 50 29.990 24.166 40.503 1.00 0.00 N ATOM 760 CA LYS A 50 30.631 22.857 40.453 1.00 0.00 C ATOM 761 C LYS A 50 32.150 22.995 40.430 1.00 0.00 C ATOM 762 O LYS A 50 32.778 22.872 39.380 1.00 0.00 O ATOM 763 CB LYS A 50 30.160 22.083 39.220 1.00 0.00 C ATOM 764 CG LYS A 50 28.652 22.088 39.038 1.00 0.00 C ATOM 765 CD LYS A 50 27.945 21.462 40.229 1.00 0.00 C ATOM 766 CE LYS A 50 28.243 19.974 40.336 1.00 0.00 C ATOM 767 NZ LYS A 50 27.233 19.264 41.168 1.00 0.00 N ATOM 0 H LYS A 50 30.192 24.765 39.702 1.00 0.00 H new ATOM 0 HA LYS A 50 30.348 22.307 41.350 1.00 0.00 H new ATOM 0 HB2 LYS A 50 30.626 22.511 38.333 1.00 0.00 H new ATOM 0 HB3 LYS A 50 30.505 21.052 39.295 1.00 0.00 H new ATOM 0 HG2 LYS A 50 28.304 23.112 38.904 1.00 0.00 H new ATOM 0 HG3 LYS A 50 28.392 21.542 38.131 1.00 0.00 H new ATOM 0 HD2 LYS A 50 28.259 21.964 41.144 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.870 21.613 40.135 1.00 0.00 H new ATOM 0 HE2 LYS A 50 28.265 19.535 39.338 1.00 0.00 H new ATOM 0 HE3 LYS A 50 29.234 19.832 40.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 27.472 18.253 41.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 27.230 19.665 42.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 26.291 19.377 40.742 1.00 0.00 H new ATOM 781 N GLY A 51 32.734 23.251 41.597 1.00 0.00 N ATOM 782 CA GLY A 51 34.175 23.400 41.688 1.00 0.00 C ATOM 783 C GLY A 51 34.671 23.373 43.120 1.00 0.00 C ATOM 784 O GLY A 51 34.244 22.538 43.917 1.00 0.00 O ATOM 0 H GLY A 51 32.235 23.358 42.480 1.00 0.00 H new ATOM 0 HA2 GLY A 51 34.656 22.600 41.125 1.00 0.00 H new ATOM 0 HA3 GLY A 51 34.470 24.340 41.222 1.00 0.00 H new ATOM 788 N ASP A 52 35.576 24.289 43.448 1.00 0.00 N ATOM 789 CA ASP A 52 36.132 24.367 44.794 1.00 0.00 C ATOM 790 C ASP A 52 35.503 25.516 45.576 1.00 0.00 C ATOM 791 O ASP A 52 35.652 26.684 45.212 1.00 0.00 O ATOM 792 CB ASP A 52 37.650 24.546 44.733 1.00 0.00 C ATOM 793 CG ASP A 52 38.341 23.390 44.037 1.00 0.00 C ATOM 794 OD1 ASP A 52 38.407 22.294 44.631 1.00 0.00 O ATOM 795 OD2 ASP A 52 38.818 23.582 42.898 1.00 0.00 O ATOM 0 H ASP A 52 35.940 24.988 42.800 1.00 0.00 H new ATOM 0 HA ASP A 52 35.905 23.433 45.309 1.00 0.00 H new ATOM 0 HB2 ASP A 52 37.883 25.473 44.210 1.00 0.00 H new ATOM 0 HB3 ASP A 52 38.042 24.644 45.745 1.00 0.00 H new ATOM 800 N LEU A 53 34.800 25.178 46.651 1.00 0.00 N ATOM 801 CA LEU A 53 34.147 26.182 47.484 1.00 0.00 C ATOM 802 C LEU A 53 35.126 26.773 48.493 1.00 0.00 C ATOM 803 O LEU A 53 34.951 27.900 48.954 1.00 0.00 O ATOM 804 CB LEU A 53 32.953 25.567 48.216 1.00 0.00 C ATOM 805 CG LEU A 53 31.660 26.384 48.197 1.00 0.00 C ATOM 806 CD1 LEU A 53 31.911 27.791 48.715 1.00 0.00 C ATOM 807 CD2 LEU A 53 31.077 26.427 46.792 1.00 0.00 C ATOM 0 H LEU A 53 34.667 24.217 46.966 1.00 0.00 H new ATOM 0 HA LEU A 53 33.795 26.984 46.835 1.00 0.00 H new ATOM 0 HB2 LEU A 53 32.748 24.590 47.778 1.00 0.00 H new ATOM 0 HB3 LEU A 53 33.237 25.398 49.255 1.00 0.00 H new ATOM 0 HG LEU A 53 30.937 25.900 48.854 1.00 0.00 H new ATOM 0 HD11 LEU A 53 30.980 28.358 48.694 1.00 0.00 H new ATOM 0 HD12 LEU A 53 32.283 27.741 49.738 1.00 0.00 H new ATOM 0 HD13 LEU A 53 32.650 28.284 48.084 1.00 0.00 H new ATOM 0 HD21 LEU A 53 30.158 27.012 46.797 1.00 0.00 H new ATOM 0 HD22 LEU A 53 31.796 26.887 46.114 1.00 0.00 H new ATOM 0 HD23 LEU A 53 30.859 25.413 46.457 1.00 0.00 H new ATOM 819 N GLU A 54 36.158 26.006 48.828 1.00 0.00 N ATOM 820 CA GLU A 54 37.166 26.455 49.781 1.00 0.00 C ATOM 821 C GLU A 54 38.303 27.183 49.068 1.00 0.00 C ATOM 822 O GLU A 54 38.817 28.188 49.559 1.00 0.00 O ATOM 823 CB GLU A 54 37.722 25.267 50.569 1.00 0.00 C ATOM 824 CG GLU A 54 38.388 24.216 49.696 1.00 0.00 C ATOM 825 CD GLU A 54 38.157 22.806 50.202 1.00 0.00 C ATOM 826 OE1 GLU A 54 37.045 22.276 49.996 1.00 0.00 O ATOM 827 OE2 GLU A 54 39.088 22.231 50.805 1.00 0.00 O ATOM 0 H GLU A 54 36.318 25.071 48.454 1.00 0.00 H new ATOM 0 HA GLU A 54 36.690 27.149 50.473 1.00 0.00 H new ATOM 0 HB2 GLU A 54 38.445 25.632 51.299 1.00 0.00 H new ATOM 0 HB3 GLU A 54 36.911 24.801 51.129 1.00 0.00 H new ATOM 0 HG2 GLU A 54 38.007 24.300 48.678 1.00 0.00 H new ATOM 0 HG3 GLU A 54 39.459 24.411 49.652 1.00 0.00 H new ATOM 834 N THR A 55 38.691 26.667 47.906 1.00 0.00 N ATOM 835 CA THR A 55 39.767 27.264 47.125 1.00 0.00 C ATOM 836 C THR A 55 39.231 27.905 45.850 1.00 0.00 C ATOM 837 O THR A 55 39.161 27.263 44.802 1.00 0.00 O ATOM 838 CB THR A 55 40.836 26.221 46.751 1.00 0.00 C ATOM 839 OG1 THR A 55 40.256 25.196 45.936 1.00 0.00 O ATOM 840 CG2 THR A 55 41.446 25.600 47.999 1.00 0.00 C ATOM 0 H THR A 55 38.276 25.836 47.485 1.00 0.00 H new ATOM 0 HA THR A 55 40.222 28.032 47.751 1.00 0.00 H new ATOM 0 HB THR A 55 41.625 26.725 46.193 1.00 0.00 H new ATOM 0 HG1 THR A 55 39.943 25.586 45.093 1.00 0.00 H new ATOM 0 HG21 THR A 55 42.198 24.866 47.710 1.00 0.00 H new ATOM 0 HG22 THR A 55 41.912 26.379 48.603 1.00 0.00 H new ATOM 0 HG23 THR A 55 40.665 25.109 48.580 1.00 0.00 H new ATOM 848 N LEU A 56 38.854 29.176 45.946 1.00 0.00 N ATOM 849 CA LEU A 56 38.324 29.905 44.799 1.00 0.00 C ATOM 850 C LEU A 56 38.476 31.410 44.993 1.00 0.00 C ATOM 851 O LEU A 56 37.508 32.106 45.301 1.00 0.00 O ATOM 852 CB LEU A 56 36.851 29.553 44.582 1.00 0.00 C ATOM 853 CG LEU A 56 36.144 30.296 43.448 1.00 0.00 C ATOM 854 CD1 LEU A 56 36.370 29.586 42.122 1.00 0.00 C ATOM 855 CD2 LEU A 56 34.656 30.423 43.740 1.00 0.00 C ATOM 0 H LEU A 56 38.906 29.722 46.806 1.00 0.00 H new ATOM 0 HA LEU A 56 38.895 29.612 43.918 1.00 0.00 H new ATOM 0 HB2 LEU A 56 36.778 28.483 44.389 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.311 29.747 45.509 1.00 0.00 H new ATOM 0 HG LEU A 56 36.567 31.298 43.377 1.00 0.00 H new ATOM 0 HD11 LEU A 56 35.859 30.129 41.327 1.00 0.00 H new ATOM 0 HD12 LEU A 56 37.438 29.547 41.907 1.00 0.00 H new ATOM 0 HD13 LEU A 56 35.975 28.572 42.180 1.00 0.00 H new ATOM 0 HD21 LEU A 56 34.169 30.954 42.922 1.00 0.00 H new ATOM 0 HD22 LEU A 56 34.219 29.430 43.839 1.00 0.00 H new ATOM 0 HD23 LEU A 56 34.513 30.976 44.668 1.00 0.00 H new ATOM 867 N GLN A 57 39.695 31.905 44.810 1.00 0.00 N ATOM 868 CA GLN A 57 39.973 33.329 44.964 1.00 0.00 C ATOM 869 C GLN A 57 41.341 33.682 44.391 1.00 0.00 C ATOM 870 O GLN A 57 42.200 32.821 44.194 1.00 0.00 O ATOM 871 CB GLN A 57 39.906 33.726 46.439 1.00 0.00 C ATOM 872 CG GLN A 57 38.630 34.461 46.815 1.00 0.00 C ATOM 873 CD GLN A 57 38.867 35.560 47.831 1.00 0.00 C ATOM 874 OE1 GLN A 57 39.838 35.524 48.587 1.00 0.00 O ATOM 875 NE2 GLN A 57 37.978 36.547 47.855 1.00 0.00 N ATOM 0 H GLN A 57 40.506 31.342 44.555 1.00 0.00 H new ATOM 0 HA GLN A 57 39.215 33.884 44.411 1.00 0.00 H new ATOM 0 HB2 GLN A 57 39.993 32.829 47.052 1.00 0.00 H new ATOM 0 HB3 GLN A 57 40.762 34.358 46.676 1.00 0.00 H new ATOM 0 HG2 GLN A 57 38.185 34.891 45.918 1.00 0.00 H new ATOM 0 HG3 GLN A 57 37.910 33.748 47.218 1.00 0.00 H new ATOM 0 HE21 GLN A 57 37.188 36.537 47.210 1.00 0.00 H new ATOM 0 HE22 GLN A 57 38.086 37.315 48.518 1.00 0.00 H new ATOM 884 N PRO A 58 41.552 34.978 44.116 1.00 0.00 N ATOM 885 CA PRO A 58 40.538 36.011 44.346 1.00 0.00 C ATOM 886 C PRO A 58 39.364 35.896 43.380 1.00 0.00 C ATOM 887 O PRO A 58 38.204 35.928 43.790 1.00 0.00 O ATOM 888 CB PRO A 58 41.300 37.316 44.108 1.00 0.00 C ATOM 889 CG PRO A 58 42.415 36.942 43.193 1.00 0.00 C ATOM 890 CD PRO A 58 42.796 35.534 43.559 1.00 0.00 C ATOM 0 HA PRO A 58 40.097 35.935 45.340 1.00 0.00 H new ATOM 0 HB2 PRO A 58 40.657 38.074 43.660 1.00 0.00 H new ATOM 0 HB3 PRO A 58 41.677 37.730 45.043 1.00 0.00 H new ATOM 0 HG2 PRO A 58 42.102 37.003 42.151 1.00 0.00 H new ATOM 0 HG3 PRO A 58 43.261 37.619 43.312 1.00 0.00 H new ATOM 0 HD2 PRO A 58 43.134 34.970 42.690 1.00 0.00 H new ATOM 0 HD3 PRO A 58 43.607 35.513 44.287 1.00 0.00 H new ATOM 898 N GLY A 59 39.673 35.761 42.093 1.00 0.00 N ATOM 899 CA GLY A 59 38.632 35.643 41.089 1.00 0.00 C ATOM 900 C GLY A 59 38.980 34.638 40.009 1.00 0.00 C ATOM 901 O GLY A 59 39.428 35.011 38.925 1.00 0.00 O ATOM 0 H GLY A 59 40.625 35.731 41.729 1.00 0.00 H new ATOM 0 HA2 GLY A 59 37.700 35.347 41.570 1.00 0.00 H new ATOM 0 HA3 GLY A 59 38.460 36.618 40.632 1.00 0.00 H new ATOM 905 N ASP A 60 38.775 33.359 40.305 1.00 0.00 N ATOM 906 CA ASP A 60 39.071 32.296 39.351 1.00 0.00 C ATOM 907 C ASP A 60 38.059 32.294 38.210 1.00 0.00 C ATOM 908 O ASP A 60 36.853 32.393 38.436 1.00 0.00 O ATOM 909 CB ASP A 60 39.071 30.937 40.053 1.00 0.00 C ATOM 910 CG ASP A 60 40.262 30.761 40.975 1.00 0.00 C ATOM 911 OD1 ASP A 60 40.495 31.651 41.820 1.00 0.00 O ATOM 912 OD2 ASP A 60 40.960 29.734 40.851 1.00 0.00 O ATOM 0 H ASP A 60 38.405 33.033 41.198 1.00 0.00 H new ATOM 0 HA ASP A 60 40.061 32.480 38.934 1.00 0.00 H new ATOM 0 HB2 ASP A 60 38.151 30.828 40.628 1.00 0.00 H new ATOM 0 HB3 ASP A 60 39.075 30.145 39.304 1.00 0.00 H new ATOM 917 N ASP A 61 38.558 32.181 36.984 1.00 0.00 N ATOM 918 CA ASP A 61 37.698 32.165 35.807 1.00 0.00 C ATOM 919 C ASP A 61 36.596 31.121 35.953 1.00 0.00 C ATOM 920 O ASP A 61 36.856 29.975 36.318 1.00 0.00 O ATOM 921 CB ASP A 61 38.522 31.882 34.550 1.00 0.00 C ATOM 922 CG ASP A 61 39.720 32.803 34.423 1.00 0.00 C ATOM 923 OD1 ASP A 61 39.552 33.925 33.902 1.00 0.00 O ATOM 924 OD2 ASP A 61 40.825 32.401 34.845 1.00 0.00 O ATOM 0 H ASP A 61 39.554 32.099 36.780 1.00 0.00 H new ATOM 0 HA ASP A 61 37.234 33.147 35.714 1.00 0.00 H new ATOM 0 HB2 ASP A 61 38.863 30.847 34.568 1.00 0.00 H new ATOM 0 HB3 ASP A 61 37.887 31.993 33.671 1.00 0.00 H new ATOM 929 N VAL A 62 35.362 31.526 35.666 1.00 0.00 N ATOM 930 CA VAL A 62 34.220 30.625 35.766 1.00 0.00 C ATOM 931 C VAL A 62 33.287 30.787 34.571 1.00 0.00 C ATOM 932 O VAL A 62 33.226 31.853 33.959 1.00 0.00 O ATOM 933 CB VAL A 62 33.423 30.870 37.062 1.00 0.00 C ATOM 934 CG1 VAL A 62 34.202 30.371 38.269 1.00 0.00 C ATOM 935 CG2 VAL A 62 33.085 32.346 37.208 1.00 0.00 C ATOM 0 H VAL A 62 35.128 32.471 35.363 1.00 0.00 H new ATOM 0 HA VAL A 62 34.617 29.610 35.779 1.00 0.00 H new ATOM 0 HB VAL A 62 32.489 30.311 37.006 1.00 0.00 H new ATOM 0 HG11 VAL A 62 33.624 30.552 39.175 1.00 0.00 H new ATOM 0 HG12 VAL A 62 34.388 29.302 38.165 1.00 0.00 H new ATOM 0 HG13 VAL A 62 35.153 30.901 38.333 1.00 0.00 H new ATOM 0 HG21 VAL A 62 32.522 32.501 38.128 1.00 0.00 H new ATOM 0 HG22 VAL A 62 34.006 32.928 37.243 1.00 0.00 H new ATOM 0 HG23 VAL A 62 32.485 32.668 36.357 1.00 0.00 H new ATOM 945 N GLU A 63 32.561 29.722 34.245 1.00 0.00 N ATOM 946 CA GLU A 63 31.631 29.747 33.123 1.00 0.00 C ATOM 947 C GLU A 63 30.197 29.536 33.599 1.00 0.00 C ATOM 948 O GLU A 63 29.959 28.894 34.623 1.00 0.00 O ATOM 949 CB GLU A 63 32.003 28.671 32.100 1.00 0.00 C ATOM 950 CG GLU A 63 31.479 28.953 30.702 1.00 0.00 C ATOM 951 CD GLU A 63 31.962 27.940 29.682 1.00 0.00 C ATOM 952 OE1 GLU A 63 33.062 28.140 29.124 1.00 0.00 O ATOM 953 OE2 GLU A 63 31.242 26.949 29.442 1.00 0.00 O ATOM 0 H GLU A 63 32.599 28.832 34.742 1.00 0.00 H new ATOM 0 HA GLU A 63 31.698 30.727 32.651 1.00 0.00 H new ATOM 0 HB2 GLU A 63 33.088 28.579 32.060 1.00 0.00 H new ATOM 0 HB3 GLU A 63 31.614 27.710 32.438 1.00 0.00 H new ATOM 0 HG2 GLU A 63 30.389 28.954 30.720 1.00 0.00 H new ATOM 0 HG3 GLU A 63 31.793 29.950 30.395 1.00 0.00 H new ATOM 960 N PHE A 64 29.244 30.083 32.851 1.00 0.00 N ATOM 961 CA PHE A 64 27.833 29.957 33.197 1.00 0.00 C ATOM 962 C PHE A 64 26.959 30.022 31.948 1.00 0.00 C ATOM 963 O PHE A 64 27.407 30.451 30.884 1.00 0.00 O ATOM 964 CB PHE A 64 27.426 31.060 34.176 1.00 0.00 C ATOM 965 CG PHE A 64 27.827 32.437 33.729 1.00 0.00 C ATOM 966 CD1 PHE A 64 27.132 33.080 32.717 1.00 0.00 C ATOM 967 CD2 PHE A 64 28.898 33.087 34.319 1.00 0.00 C ATOM 968 CE1 PHE A 64 27.497 34.347 32.303 1.00 0.00 C ATOM 969 CE2 PHE A 64 29.268 34.355 33.909 1.00 0.00 C ATOM 970 CZ PHE A 64 28.568 34.985 32.900 1.00 0.00 C ATOM 0 H PHE A 64 29.423 30.618 32.001 1.00 0.00 H new ATOM 0 HA PHE A 64 27.686 28.987 33.672 1.00 0.00 H new ATOM 0 HB2 PHE A 64 26.345 31.032 34.314 1.00 0.00 H new ATOM 0 HB3 PHE A 64 27.876 30.857 35.148 1.00 0.00 H new ATOM 0 HD1 PHE A 64 26.295 32.585 32.246 1.00 0.00 H new ATOM 0 HD2 PHE A 64 29.450 32.598 35.108 1.00 0.00 H new ATOM 0 HE1 PHE A 64 26.946 34.838 31.514 1.00 0.00 H new ATOM 0 HE2 PHE A 64 30.104 34.852 34.378 1.00 0.00 H new ATOM 0 HZ PHE A 64 28.857 35.975 32.578 1.00 0.00 H new ATOM 980 N THR A 65 25.708 29.593 32.085 1.00 0.00 N ATOM 981 CA THR A 65 24.771 29.601 30.969 1.00 0.00 C ATOM 982 C THR A 65 23.562 30.479 31.272 1.00 0.00 C ATOM 983 O THR A 65 22.878 30.285 32.277 1.00 0.00 O ATOM 984 CB THR A 65 24.286 28.178 30.634 1.00 0.00 C ATOM 985 OG1 THR A 65 25.408 27.307 30.454 1.00 0.00 O ATOM 986 CG2 THR A 65 23.433 28.180 29.374 1.00 0.00 C ATOM 0 H THR A 65 25.321 29.236 32.958 1.00 0.00 H new ATOM 0 HA THR A 65 25.305 30.007 30.110 1.00 0.00 H new ATOM 0 HB THR A 65 23.679 27.820 31.465 1.00 0.00 H new ATOM 0 HG1 THR A 65 25.091 26.404 30.243 1.00 0.00 H new ATOM 0 HG21 THR A 65 23.102 27.164 29.157 1.00 0.00 H new ATOM 0 HG22 THR A 65 22.564 28.821 29.524 1.00 0.00 H new ATOM 0 HG23 THR A 65 24.021 28.556 28.537 1.00 0.00 H new ATOM 994 N ILE A 66 23.305 31.445 30.397 1.00 0.00 N ATOM 995 CA ILE A 66 22.177 32.352 30.571 1.00 0.00 C ATOM 996 C ILE A 66 20.886 31.730 30.049 1.00 0.00 C ATOM 997 O ILE A 66 20.795 31.349 28.882 1.00 0.00 O ATOM 998 CB ILE A 66 22.416 33.692 29.851 1.00 0.00 C ATOM 999 CG1 ILE A 66 23.798 34.246 30.202 1.00 0.00 C ATOM 1000 CG2 ILE A 66 21.330 34.692 30.218 1.00 0.00 C ATOM 1001 CD1 ILE A 66 24.001 34.469 31.685 1.00 0.00 C ATOM 0 H ILE A 66 23.862 31.620 29.561 1.00 0.00 H new ATOM 0 HA ILE A 66 22.082 32.536 31.641 1.00 0.00 H new ATOM 0 HB ILE A 66 22.377 33.521 28.775 1.00 0.00 H new ATOM 0 HG12 ILE A 66 24.560 33.556 29.839 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.946 35.190 29.677 1.00 0.00 H new ATOM 0 HG21 ILE A 66 21.513 35.634 29.701 1.00 0.00 H new ATOM 0 HG22 ILE A 66 20.358 34.298 29.922 1.00 0.00 H new ATOM 0 HG23 ILE A 66 21.340 34.861 31.295 1.00 0.00 H new ATOM 0 HD11 ILE A 66 25.002 34.863 31.860 1.00 0.00 H new ATOM 0 HD12 ILE A 66 23.262 35.182 32.050 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.885 33.523 32.214 1.00 0.00 H new ATOM 1013 N LYS A 67 19.888 31.633 30.921 1.00 0.00 N ATOM 1014 CA LYS A 67 18.600 31.061 30.549 1.00 0.00 C ATOM 1015 C LYS A 67 17.534 32.146 30.440 1.00 0.00 C ATOM 1016 O LYS A 67 17.827 33.334 30.576 1.00 0.00 O ATOM 1017 CB LYS A 67 18.170 30.010 31.576 1.00 0.00 C ATOM 1018 CG LYS A 67 19.239 28.972 31.868 1.00 0.00 C ATOM 1019 CD LYS A 67 19.541 28.123 30.645 1.00 0.00 C ATOM 1020 CE LYS A 67 20.279 26.847 31.020 1.00 0.00 C ATOM 1021 NZ LYS A 67 19.341 25.750 31.384 1.00 0.00 N ATOM 0 H LYS A 67 19.947 31.943 31.891 1.00 0.00 H new ATOM 0 HA LYS A 67 18.710 30.585 29.575 1.00 0.00 H new ATOM 0 HB2 LYS A 67 17.899 30.512 32.505 1.00 0.00 H new ATOM 0 HB3 LYS A 67 17.275 29.505 31.214 1.00 0.00 H new ATOM 0 HG2 LYS A 67 20.150 29.470 32.200 1.00 0.00 H new ATOM 0 HG3 LYS A 67 18.910 28.330 32.685 1.00 0.00 H new ATOM 0 HD2 LYS A 67 18.610 27.870 30.137 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.142 28.698 29.941 1.00 0.00 H new ATOM 0 HE2 LYS A 67 20.902 26.529 30.184 1.00 0.00 H new ATOM 0 HE3 LYS A 67 20.947 27.047 31.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.883 24.898 31.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.763 26.043 32.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.720 25.541 30.576 1.00 0.00 H new ATOM 1129 N VAL A 74 20.041 35.569 35.695 1.00 0.00 N ATOM 1130 CA VAL A 74 20.838 34.816 36.656 1.00 0.00 C ATOM 1131 C VAL A 74 21.502 33.613 35.996 1.00 0.00 C ATOM 1132 O VAL A 74 20.937 32.997 35.093 1.00 0.00 O ATOM 1133 CB VAL A 74 19.979 34.330 37.839 1.00 0.00 C ATOM 1134 CG1 VAL A 74 19.409 35.513 38.606 1.00 0.00 C ATOM 1135 CG2 VAL A 74 18.866 33.416 37.349 1.00 0.00 C ATOM 0 HA VAL A 74 21.607 35.492 37.029 1.00 0.00 H new ATOM 0 HB VAL A 74 20.614 33.760 38.517 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.805 35.150 39.438 1.00 0.00 H new ATOM 0 HG12 VAL A 74 20.225 36.125 38.990 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.788 36.113 37.941 1.00 0.00 H new ATOM 0 HG21 VAL A 74 18.269 33.082 38.198 1.00 0.00 H new ATOM 0 HG22 VAL A 74 18.230 33.959 36.650 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.300 32.551 36.848 1.00 0.00 H new ATOM 1145 N ALA A 75 22.705 33.283 36.455 1.00 0.00 N ATOM 1146 CA ALA A 75 23.446 32.151 35.911 1.00 0.00 C ATOM 1147 C ALA A 75 23.053 30.852 36.607 1.00 0.00 C ATOM 1148 O ALA A 75 22.779 30.837 37.808 1.00 0.00 O ATOM 1149 CB ALA A 75 24.943 32.390 36.040 1.00 0.00 C ATOM 0 H ALA A 75 23.187 33.783 37.202 1.00 0.00 H new ATOM 0 HA ALA A 75 23.194 32.057 34.855 1.00 0.00 H new ATOM 0 HB1 ALA A 75 25.484 31.537 35.630 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.216 33.291 35.491 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.203 32.513 37.091 1.00 0.00 H new ATOM 1155 N THR A 76 23.027 29.763 35.846 1.00 0.00 N ATOM 1156 CA THR A 76 22.666 28.459 36.389 1.00 0.00 C ATOM 1157 C THR A 76 23.747 27.424 36.099 1.00 0.00 C ATOM 1158 O THR A 76 24.315 27.396 35.007 1.00 0.00 O ATOM 1159 CB THR A 76 21.327 27.962 35.814 1.00 0.00 C ATOM 1160 OG1 THR A 76 20.793 28.932 34.906 1.00 0.00 O ATOM 1161 CG2 THR A 76 20.324 27.697 36.927 1.00 0.00 C ATOM 0 H THR A 76 23.252 29.758 34.851 1.00 0.00 H new ATOM 0 HA THR A 76 22.566 28.583 37.467 1.00 0.00 H new ATOM 0 HB THR A 76 21.511 27.029 35.282 1.00 0.00 H new ATOM 0 HG1 THR A 76 19.875 28.686 34.667 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.386 27.347 36.496 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.720 26.937 37.600 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.146 28.617 37.483 1.00 0.00 H new ATOM 1169 N ASP A 77 24.025 26.574 37.081 1.00 0.00 N ATOM 1170 CA ASP A 77 25.037 25.535 36.930 1.00 0.00 C ATOM 1171 C ASP A 77 26.378 26.138 36.526 1.00 0.00 C ATOM 1172 O ASP A 77 26.801 26.023 35.376 1.00 0.00 O ATOM 1173 CB ASP A 77 24.591 24.507 35.889 1.00 0.00 C ATOM 1174 CG ASP A 77 23.594 23.512 36.448 1.00 0.00 C ATOM 1175 OD1 ASP A 77 24.026 22.550 37.118 1.00 0.00 O ATOM 1176 OD2 ASP A 77 22.380 23.694 36.217 1.00 0.00 O ATOM 0 H ASP A 77 23.564 26.584 37.991 1.00 0.00 H new ATOM 0 HA ASP A 77 25.158 25.037 37.892 1.00 0.00 H new ATOM 0 HB2 ASP A 77 24.146 25.025 35.039 1.00 0.00 H new ATOM 0 HB3 ASP A 77 25.463 23.971 35.515 1.00 0.00 H new ATOM 1181 N VAL A 78 27.043 26.782 37.480 1.00 0.00 N ATOM 1182 CA VAL A 78 28.337 27.404 37.224 1.00 0.00 C ATOM 1183 C VAL A 78 29.463 26.379 37.297 1.00 0.00 C ATOM 1184 O VAL A 78 29.458 25.496 38.155 1.00 0.00 O ATOM 1185 CB VAL A 78 28.624 28.537 38.227 1.00 0.00 C ATOM 1186 CG1 VAL A 78 30.001 29.133 37.980 1.00 0.00 C ATOM 1187 CG2 VAL A 78 27.547 29.608 38.142 1.00 0.00 C ATOM 0 H VAL A 78 26.707 26.887 38.437 1.00 0.00 H new ATOM 0 HA VAL A 78 28.294 27.822 36.218 1.00 0.00 H new ATOM 0 HB VAL A 78 28.611 28.120 39.234 1.00 0.00 H new ATOM 0 HG11 VAL A 78 30.186 29.932 38.698 1.00 0.00 H new ATOM 0 HG12 VAL A 78 30.759 28.358 38.096 1.00 0.00 H new ATOM 0 HG13 VAL A 78 30.047 29.537 36.969 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.765 30.401 38.857 1.00 0.00 H new ATOM 0 HG22 VAL A 78 27.526 30.024 37.135 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.577 29.168 38.373 1.00 0.00 H new ATOM 1197 N ARG A 79 30.428 26.502 36.392 1.00 0.00 N ATOM 1198 CA ARG A 79 31.561 25.586 36.353 1.00 0.00 C ATOM 1199 C ARG A 79 32.871 26.348 36.176 1.00 0.00 C ATOM 1200 O ARG A 79 32.997 27.189 35.285 1.00 0.00 O ATOM 1201 CB ARG A 79 31.389 24.576 35.217 1.00 0.00 C ATOM 1202 CG ARG A 79 31.262 25.219 33.845 1.00 0.00 C ATOM 1203 CD ARG A 79 30.633 24.267 32.840 1.00 0.00 C ATOM 1204 NE ARG A 79 31.224 24.404 31.512 1.00 0.00 N ATOM 1205 CZ ARG A 79 32.404 23.895 31.177 1.00 0.00 C ATOM 1206 NH1 ARG A 79 33.116 23.219 32.068 1.00 0.00 N ATOM 1207 NH2 ARG A 79 32.875 24.062 29.948 1.00 0.00 N ATOM 0 H ARG A 79 30.448 27.228 35.675 1.00 0.00 H new ATOM 0 HA ARG A 79 31.597 25.052 37.303 1.00 0.00 H new ATOM 0 HB2 ARG A 79 32.242 23.897 35.213 1.00 0.00 H new ATOM 0 HB3 ARG A 79 30.502 23.973 35.410 1.00 0.00 H new ATOM 0 HG2 ARG A 79 30.657 26.123 33.920 1.00 0.00 H new ATOM 0 HG3 ARG A 79 32.247 25.524 33.492 1.00 0.00 H new ATOM 0 HD2 ARG A 79 30.755 23.241 33.187 1.00 0.00 H new ATOM 0 HD3 ARG A 79 29.561 24.458 32.781 1.00 0.00 H new ATOM 0 HE ARG A 79 30.702 24.919 30.803 1.00 0.00 H new ATOM 0 HH11 ARG A 79 32.758 23.089 33.014 1.00 0.00 H new ATOM 0 HH12 ARG A 79 34.022 22.829 31.807 1.00 0.00 H new ATOM 0 HH21 ARG A 79 32.331 24.582 29.259 1.00 0.00 H new ATOM 0 HH22 ARG A 79 33.781 23.671 29.692 1.00 0.00 H new ATOM 1221 N LEU A 80 33.844 26.049 37.031 1.00 0.00 N ATOM 1222 CA LEU A 80 35.145 26.706 36.970 1.00 0.00 C ATOM 1223 C LEU A 80 35.806 26.480 35.614 1.00 0.00 C ATOM 1224 O LEU A 80 35.685 25.406 35.023 1.00 0.00 O ATOM 1225 CB LEU A 80 36.053 26.187 38.086 1.00 0.00 C ATOM 1226 CG LEU A 80 36.221 27.107 39.296 1.00 0.00 C ATOM 1227 CD1 LEU A 80 36.817 26.343 40.468 1.00 0.00 C ATOM 1228 CD2 LEU A 80 37.091 28.304 38.940 1.00 0.00 C ATOM 0 H LEU A 80 33.756 25.356 37.774 1.00 0.00 H new ATOM 0 HA LEU A 80 34.991 27.777 37.104 1.00 0.00 H new ATOM 0 HB2 LEU A 80 35.659 25.232 38.433 1.00 0.00 H new ATOM 0 HB3 LEU A 80 37.039 25.991 37.664 1.00 0.00 H new ATOM 0 HG LEU A 80 35.237 27.473 39.589 1.00 0.00 H new ATOM 0 HD11 LEU A 80 36.929 27.013 41.320 1.00 0.00 H new ATOM 0 HD12 LEU A 80 36.157 25.519 40.739 1.00 0.00 H new ATOM 0 HD13 LEU A 80 37.793 25.948 40.186 1.00 0.00 H new ATOM 0 HD21 LEU A 80 37.199 28.947 39.813 1.00 0.00 H new ATOM 0 HD22 LEU A 80 38.074 27.957 38.620 1.00 0.00 H new ATOM 0 HD23 LEU A 80 36.624 28.866 38.131 1.00 0.00 H new ATOM 1240 N LEU A 81 36.508 27.497 35.127 1.00 0.00 N ATOM 1241 CA LEU A 81 37.191 27.409 33.841 1.00 0.00 C ATOM 1242 C LEU A 81 38.587 26.816 34.006 1.00 0.00 C ATOM 1243 O LEU A 81 39.168 26.826 35.091 1.00 0.00 O ATOM 1244 CB LEU A 81 37.285 28.793 33.196 1.00 0.00 C ATOM 1245 CG LEU A 81 36.052 29.258 32.421 1.00 0.00 C ATOM 1246 CD1 LEU A 81 36.213 30.703 31.977 1.00 0.00 C ATOM 1247 CD2 LEU A 81 35.803 28.354 31.222 1.00 0.00 C ATOM 0 H LEU A 81 36.619 28.392 35.603 1.00 0.00 H new ATOM 0 HA LEU A 81 36.611 26.752 33.193 1.00 0.00 H new ATOM 0 HB2 LEU A 81 37.494 29.523 33.978 1.00 0.00 H new ATOM 0 HB3 LEU A 81 38.139 28.799 32.518 1.00 0.00 H new ATOM 0 HG LEU A 81 35.188 29.197 33.082 1.00 0.00 H new ATOM 0 HD11 LEU A 81 35.325 31.016 31.427 1.00 0.00 H new ATOM 0 HD12 LEU A 81 36.341 31.340 32.852 1.00 0.00 H new ATOM 0 HD13 LEU A 81 37.088 30.790 31.333 1.00 0.00 H new ATOM 0 HD21 LEU A 81 34.922 28.700 30.682 1.00 0.00 H new ATOM 0 HD22 LEU A 81 36.668 28.382 30.560 1.00 0.00 H new ATOM 0 HD23 LEU A 81 35.641 27.332 31.564 1.00 0.00 H new ATOM 1259 N PRO A 82 39.140 26.289 32.904 1.00 0.00 N ATOM 1260 CA PRO A 82 40.475 25.685 32.900 1.00 0.00 C ATOM 1261 C PRO A 82 41.581 26.720 33.078 1.00 0.00 C ATOM 1262 O PRO A 82 41.375 27.908 32.835 1.00 0.00 O ATOM 1263 CB PRO A 82 40.568 25.037 31.516 1.00 0.00 C ATOM 1264 CG PRO A 82 39.626 25.820 30.668 1.00 0.00 C ATOM 1265 CD PRO A 82 38.505 26.243 31.576 1.00 0.00 C ATOM 0 HA PRO A 82 40.606 24.984 33.724 1.00 0.00 H new ATOM 0 HB2 PRO A 82 41.584 25.083 31.125 1.00 0.00 H new ATOM 0 HB3 PRO A 82 40.287 23.984 31.552 1.00 0.00 H new ATOM 0 HG2 PRO A 82 40.122 26.687 30.231 1.00 0.00 H new ATOM 0 HG3 PRO A 82 39.252 25.217 29.841 1.00 0.00 H new ATOM 0 HD2 PRO A 82 38.101 27.214 31.290 1.00 0.00 H new ATOM 0 HD3 PRO A 82 37.678 25.534 31.551 1.00 0.00 H new