USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 398 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 MET CE :methyl -155:sc= -0.97 (180deg=-0.909) USER MOD Set 1.2: A 46 TYR OH : rot 30:sc=-1.68e-05 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.147 K(o=-0.15,f=-3.8!) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.213 X(o=-0.21,f=-0.59) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -167:sc= -0.0362 (180deg=-0.24) USER MOD Single : A 55 THR OG1 : rot 47:sc= 1.14 USER MOD Single : A 57 GLN : amide:sc= -0.0974 X(o=-0.097,f=-0.099) 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 28.932 31.589 28.230 1.00 0.00 N ATOM 272 CA CYS A 19 29.624 32.810 28.625 1.00 0.00 C ATOM 273 C CYS A 19 30.401 32.601 29.921 1.00 0.00 C ATOM 274 O CYS A 19 29.929 31.925 30.835 1.00 0.00 O ATOM 275 CB CYS A 19 28.624 33.955 28.795 1.00 0.00 C ATOM 276 SG CYS A 19 28.494 35.041 27.356 1.00 0.00 S ATOM 0 HA CYS A 19 30.331 33.068 27.837 1.00 0.00 H new ATOM 0 HB2 CYS A 19 27.641 33.536 29.010 1.00 0.00 H new ATOM 0 HB3 CYS A 19 28.913 34.550 29.661 1.00 0.00 H new ATOM 0 HG CYS A 19 27.623 35.976 27.595 1.00 0.00 H new ATOM 282 N GLN A 20 31.594 33.183 29.990 1.00 0.00 N ATOM 283 CA GLN A 20 32.436 33.057 31.174 1.00 0.00 C ATOM 284 C GLN A 20 32.798 34.429 31.733 1.00 0.00 C ATOM 285 O GLN A 20 32.578 35.452 31.086 1.00 0.00 O ATOM 286 CB GLN A 20 33.710 32.278 30.838 1.00 0.00 C ATOM 287 CG GLN A 20 34.481 32.851 29.660 1.00 0.00 C ATOM 288 CD GLN A 20 34.230 32.090 28.373 1.00 0.00 C ATOM 289 OE1 GLN A 20 33.086 31.793 28.027 1.00 0.00 O ATOM 290 NE2 GLN A 20 35.301 31.771 27.656 1.00 0.00 N ATOM 0 H GLN A 20 31.999 33.745 29.241 1.00 0.00 H new ATOM 0 HA GLN A 20 31.874 32.512 31.933 1.00 0.00 H new ATOM 0 HB2 GLN A 20 34.359 32.264 31.714 1.00 0.00 H new ATOM 0 HB3 GLN A 20 33.446 31.243 30.620 1.00 0.00 H new ATOM 0 HG2 GLN A 20 34.201 33.895 29.521 1.00 0.00 H new ATOM 0 HG3 GLN A 20 35.547 32.834 29.886 1.00 0.00 H new ATOM 0 HE21 GLN A 20 36.230 32.038 27.981 1.00 0.00 H new ATOM 0 HE22 GLN A 20 35.194 31.259 26.780 1.00 0.00 H new ATOM 299 N GLY A 21 33.353 34.443 32.941 1.00 0.00 N ATOM 300 CA GLY A 21 33.736 35.695 33.567 1.00 0.00 C ATOM 301 C GLY A 21 34.709 35.497 34.712 1.00 0.00 C ATOM 302 O GLY A 21 35.534 34.583 34.684 1.00 0.00 O ATOM 0 H GLY A 21 33.544 33.610 33.497 1.00 0.00 H new ATOM 0 HA2 GLY A 21 34.187 36.348 32.820 1.00 0.00 H new ATOM 0 HA3 GLY A 21 32.844 36.201 33.936 1.00 0.00 H new ATOM 306 N VAL A 22 34.617 36.357 35.721 1.00 0.00 N ATOM 307 CA VAL A 22 35.497 36.273 36.880 1.00 0.00 C ATOM 308 C VAL A 22 34.743 36.591 38.167 1.00 0.00 C ATOM 309 O VAL A 22 34.026 37.588 38.248 1.00 0.00 O ATOM 310 CB VAL A 22 36.693 37.234 36.748 1.00 0.00 C ATOM 311 CG1 VAL A 22 37.629 37.089 37.938 1.00 0.00 C ATOM 312 CG2 VAL A 22 37.434 36.985 35.443 1.00 0.00 C ATOM 0 H VAL A 22 33.941 37.120 35.759 1.00 0.00 H new ATOM 0 HA VAL A 22 35.867 35.249 36.923 1.00 0.00 H new ATOM 0 HB VAL A 22 36.316 38.257 36.736 1.00 0.00 H new ATOM 0 HG11 VAL A 22 38.468 37.776 37.827 1.00 0.00 H new ATOM 0 HG12 VAL A 22 37.089 37.321 38.856 1.00 0.00 H new ATOM 0 HG13 VAL A 22 38.002 36.066 37.985 1.00 0.00 H new ATOM 0 HG21 VAL A 22 38.276 37.673 35.366 1.00 0.00 H new ATOM 0 HG22 VAL A 22 37.801 35.959 35.423 1.00 0.00 H new ATOM 0 HG23 VAL A 22 36.757 37.145 34.604 1.00 0.00 H new ATOM 322 N VAL A 23 34.912 35.737 39.172 1.00 0.00 N ATOM 323 CA VAL A 23 34.249 35.928 40.456 1.00 0.00 C ATOM 324 C VAL A 23 34.715 37.214 41.130 1.00 0.00 C ATOM 325 O VAL A 23 35.806 37.270 41.697 1.00 0.00 O ATOM 326 CB VAL A 23 34.509 34.742 41.404 1.00 0.00 C ATOM 327 CG1 VAL A 23 33.670 34.872 42.666 1.00 0.00 C ATOM 328 CG2 VAL A 23 34.225 33.425 40.698 1.00 0.00 C ATOM 0 H VAL A 23 35.502 34.907 39.121 1.00 0.00 H new ATOM 0 HA VAL A 23 33.180 35.994 40.253 1.00 0.00 H new ATOM 0 HB VAL A 23 35.560 34.754 41.693 1.00 0.00 H new ATOM 0 HG11 VAL A 23 33.867 34.025 43.323 1.00 0.00 H new ATOM 0 HG12 VAL A 23 33.927 35.798 43.180 1.00 0.00 H new ATOM 0 HG13 VAL A 23 32.613 34.886 42.400 1.00 0.00 H new ATOM 0 HG21 VAL A 23 34.414 32.597 41.382 1.00 0.00 H new ATOM 0 HG22 VAL A 23 33.183 33.401 40.378 1.00 0.00 H new ATOM 0 HG23 VAL A 23 34.874 33.331 39.827 1.00 0.00 H new ATOM 338 N CYS A 24 33.881 38.246 41.063 1.00 0.00 N ATOM 339 CA CYS A 24 34.207 39.533 41.666 1.00 0.00 C ATOM 340 C CYS A 24 33.682 39.612 43.096 1.00 0.00 C ATOM 341 O CYS A 24 34.336 40.166 43.979 1.00 0.00 O ATOM 342 CB CYS A 24 33.623 40.674 40.832 1.00 0.00 C ATOM 343 SG CYS A 24 34.533 42.230 40.970 1.00 0.00 S ATOM 0 H CYS A 24 32.974 38.216 40.597 1.00 0.00 H new ATOM 0 HA CYS A 24 35.292 39.630 41.691 1.00 0.00 H new ATOM 0 HB2 CYS A 24 33.601 40.370 39.785 1.00 0.00 H new ATOM 0 HB3 CYS A 24 32.590 40.841 41.137 1.00 0.00 H new ATOM 0 HG CYS A 24 33.964 43.133 40.228 1.00 0.00 H new ATOM 349 N ALA A 25 32.495 39.056 43.317 1.00 0.00 N ATOM 350 CA ALA A 25 31.882 39.063 44.639 1.00 0.00 C ATOM 351 C ALA A 25 32.094 37.731 45.350 1.00 0.00 C ATOM 352 O ALA A 25 32.152 36.680 44.713 1.00 0.00 O ATOM 353 CB ALA A 25 30.397 39.375 44.530 1.00 0.00 C ATOM 0 H ALA A 25 31.939 38.595 42.597 1.00 0.00 H new ATOM 0 HA ALA A 25 32.363 39.841 45.231 1.00 0.00 H new ATOM 0 HB1 ALA A 25 29.952 39.377 45.525 1.00 0.00 H new ATOM 0 HB2 ALA A 25 30.264 40.355 44.071 1.00 0.00 H new ATOM 0 HB3 ALA A 25 29.910 38.617 43.916 1.00 0.00 H new ATOM 359 N MET A 26 32.210 37.784 46.673 1.00 0.00 N ATOM 360 CA MET A 26 32.416 36.580 47.470 1.00 0.00 C ATOM 361 C MET A 26 31.551 36.605 48.726 1.00 0.00 C ATOM 362 O MET A 26 31.613 37.548 49.516 1.00 0.00 O ATOM 363 CB MET A 26 33.890 36.443 47.854 1.00 0.00 C ATOM 364 CG MET A 26 34.647 35.430 47.010 1.00 0.00 C ATOM 365 SD MET A 26 34.786 33.822 47.812 1.00 0.00 S ATOM 366 CE MET A 26 34.733 32.730 46.393 1.00 0.00 C ATOM 0 H MET A 26 32.165 38.647 47.215 1.00 0.00 H new ATOM 0 HA MET A 26 32.124 35.720 46.867 1.00 0.00 H new ATOM 0 HB2 MET A 26 34.373 37.415 47.760 1.00 0.00 H new ATOM 0 HB3 MET A 26 33.958 36.153 48.903 1.00 0.00 H new ATOM 0 HG2 MET A 26 34.141 35.311 46.052 1.00 0.00 H new ATOM 0 HG3 MET A 26 35.645 35.813 46.798 1.00 0.00 H new ATOM 0 HE1 MET A 26 34.368 31.750 46.701 1.00 0.00 H new ATOM 0 HE2 MET A 26 34.064 33.145 45.639 1.00 0.00 H new ATOM 0 HE3 MET A 26 35.734 32.629 45.974 1.00 0.00 H new ATOM 376 N LYS A 27 30.744 35.565 48.905 1.00 0.00 N ATOM 377 CA LYS A 27 29.867 35.466 50.065 1.00 0.00 C ATOM 378 C LYS A 27 29.693 34.013 50.494 1.00 0.00 C ATOM 379 O LYS A 27 30.179 33.098 49.829 1.00 0.00 O ATOM 380 CB LYS A 27 28.502 36.084 49.752 1.00 0.00 C ATOM 381 CG LYS A 27 27.990 37.011 50.840 1.00 0.00 C ATOM 382 CD LYS A 27 26.966 37.995 50.299 1.00 0.00 C ATOM 383 CE LYS A 27 27.511 39.415 50.284 1.00 0.00 C ATOM 384 NZ LYS A 27 26.694 40.314 49.423 1.00 0.00 N ATOM 0 H LYS A 27 30.679 34.777 48.260 1.00 0.00 H new ATOM 0 HA LYS A 27 30.328 36.015 50.886 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.570 36.639 48.816 1.00 0.00 H new ATOM 0 HB3 LYS A 27 27.778 35.284 49.597 1.00 0.00 H new ATOM 0 HG2 LYS A 27 27.542 36.422 51.640 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.826 37.558 51.276 1.00 0.00 H new ATOM 0 HD2 LYS A 27 26.679 37.704 49.289 1.00 0.00 H new ATOM 0 HD3 LYS A 27 26.065 37.957 50.911 1.00 0.00 H new ATOM 0 HE2 LYS A 27 27.532 39.807 51.301 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.540 39.405 49.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 27.098 41.272 49.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 26.695 39.955 48.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 25.718 40.344 49.780 1.00 0.00 H new ATOM 398 N GLU A 28 28.995 33.809 51.607 1.00 0.00 N ATOM 399 CA GLU A 28 28.757 32.465 52.123 1.00 0.00 C ATOM 400 C GLU A 28 27.371 31.968 51.724 1.00 0.00 C ATOM 401 O GLU A 28 26.717 31.248 52.479 1.00 0.00 O ATOM 402 CB GLU A 28 28.900 32.447 53.646 1.00 0.00 C ATOM 403 CG GLU A 28 30.338 32.547 54.124 1.00 0.00 C ATOM 404 CD GLU A 28 30.478 33.380 55.383 1.00 0.00 C ATOM 405 OE1 GLU A 28 30.035 32.916 56.454 1.00 0.00 O ATOM 406 OE2 GLU A 28 31.032 34.496 55.297 1.00 0.00 O ATOM 0 H GLU A 28 28.585 34.556 52.168 1.00 0.00 H new ATOM 0 HA GLU A 28 29.502 31.798 51.688 1.00 0.00 H new ATOM 0 HB2 GLU A 28 28.328 33.275 54.066 1.00 0.00 H new ATOM 0 HB3 GLU A 28 28.461 31.527 54.033 1.00 0.00 H new ATOM 0 HG2 GLU A 28 30.725 31.545 54.311 1.00 0.00 H new ATOM 0 HG3 GLU A 28 30.950 32.983 53.334 1.00 0.00 H new ATOM 413 N ALA A 29 26.928 32.357 50.533 1.00 0.00 N ATOM 414 CA ALA A 29 25.621 31.950 50.034 1.00 0.00 C ATOM 415 C ALA A 29 25.527 32.139 48.523 1.00 0.00 C ATOM 416 O ALA A 29 25.143 31.223 47.796 1.00 0.00 O ATOM 417 CB ALA A 29 24.520 32.734 50.734 1.00 0.00 C ATOM 0 H ALA A 29 27.456 32.954 49.896 1.00 0.00 H new ATOM 0 HA ALA A 29 25.492 30.890 50.251 1.00 0.00 H new ATOM 0 HB1 ALA A 29 23.549 32.419 50.351 1.00 0.00 H new ATOM 0 HB2 ALA A 29 24.565 32.546 51.807 1.00 0.00 H new ATOM 0 HB3 ALA A 29 24.656 33.799 50.546 1.00 0.00 H new ATOM 423 N PHE A 30 25.880 33.332 48.058 1.00 0.00 N ATOM 424 CA PHE A 30 25.834 33.642 46.634 1.00 0.00 C ATOM 425 C PHE A 30 26.820 34.754 46.286 1.00 0.00 C ATOM 426 O PHE A 30 27.361 35.416 47.170 1.00 0.00 O ATOM 427 CB PHE A 30 24.418 34.054 46.225 1.00 0.00 C ATOM 428 CG PHE A 30 23.803 35.073 47.140 1.00 0.00 C ATOM 429 CD1 PHE A 30 24.317 36.357 47.215 1.00 0.00 C ATOM 430 CD2 PHE A 30 22.710 34.746 47.928 1.00 0.00 C ATOM 431 CE1 PHE A 30 23.752 37.298 48.056 1.00 0.00 C ATOM 432 CE2 PHE A 30 22.141 35.682 48.770 1.00 0.00 C ATOM 433 CZ PHE A 30 22.664 36.959 48.835 1.00 0.00 C ATOM 0 H PHE A 30 26.201 34.101 48.647 1.00 0.00 H new ATOM 0 HA PHE A 30 26.117 32.745 46.084 1.00 0.00 H new ATOM 0 HB2 PHE A 30 24.443 34.455 45.212 1.00 0.00 H new ATOM 0 HB3 PHE A 30 23.783 33.168 46.201 1.00 0.00 H new ATOM 0 HD1 PHE A 30 25.170 36.627 46.609 1.00 0.00 H new ATOM 0 HD2 PHE A 30 22.299 33.748 47.883 1.00 0.00 H new ATOM 0 HE1 PHE A 30 24.161 38.296 48.103 1.00 0.00 H new ATOM 0 HE2 PHE A 30 21.288 35.416 49.377 1.00 0.00 H new ATOM 0 HZ PHE A 30 22.222 37.691 49.495 1.00 0.00 H new ATOM 443 N GLY A 31 27.047 34.951 44.991 1.00 0.00 N ATOM 444 CA GLY A 31 27.968 35.983 44.549 1.00 0.00 C ATOM 445 C GLY A 31 27.634 36.502 43.164 1.00 0.00 C ATOM 446 O GLY A 31 26.581 36.185 42.611 1.00 0.00 O ATOM 0 H GLY A 31 26.610 34.415 44.241 1.00 0.00 H new ATOM 0 HA2 GLY A 31 27.950 36.811 45.258 1.00 0.00 H new ATOM 0 HA3 GLY A 31 28.983 35.585 44.550 1.00 0.00 H new ATOM 450 N PHE A 32 28.533 37.304 42.603 1.00 0.00 N ATOM 451 CA PHE A 32 28.328 37.871 41.275 1.00 0.00 C ATOM 452 C PHE A 32 29.593 37.748 40.430 1.00 0.00 C ATOM 453 O PHE A 32 30.702 37.679 40.960 1.00 0.00 O ATOM 454 CB PHE A 32 27.914 39.340 41.383 1.00 0.00 C ATOM 455 CG PHE A 32 26.638 39.549 42.147 1.00 0.00 C ATOM 456 CD1 PHE A 32 26.630 39.515 43.532 1.00 0.00 C ATOM 457 CD2 PHE A 32 25.445 39.778 41.479 1.00 0.00 C ATOM 458 CE1 PHE A 32 25.458 39.707 44.238 1.00 0.00 C ATOM 459 CE2 PHE A 32 24.270 39.971 42.180 1.00 0.00 C ATOM 460 CZ PHE A 32 24.276 39.934 43.561 1.00 0.00 C ATOM 0 H PHE A 32 29.410 37.576 43.047 1.00 0.00 H new ATOM 0 HA PHE A 32 27.530 37.311 40.787 1.00 0.00 H new ATOM 0 HB2 PHE A 32 28.714 39.900 41.868 1.00 0.00 H new ATOM 0 HB3 PHE A 32 27.799 39.751 40.380 1.00 0.00 H new ATOM 0 HD1 PHE A 32 27.551 39.336 44.066 1.00 0.00 H new ATOM 0 HD2 PHE A 32 25.434 39.806 40.399 1.00 0.00 H new ATOM 0 HE1 PHE A 32 25.466 39.680 45.318 1.00 0.00 H new ATOM 0 HE2 PHE A 32 23.347 40.151 41.648 1.00 0.00 H new ATOM 0 HZ PHE A 32 23.358 40.082 44.110 1.00 0.00 H new ATOM 470 N ILE A 33 29.417 37.720 39.113 1.00 0.00 N ATOM 471 CA ILE A 33 30.543 37.606 38.195 1.00 0.00 C ATOM 472 C ILE A 33 30.731 38.890 37.394 1.00 0.00 C ATOM 473 O ILE A 33 29.761 39.553 37.029 1.00 0.00 O ATOM 474 CB ILE A 33 30.357 36.429 37.220 1.00 0.00 C ATOM 475 CG1 ILE A 33 30.107 35.132 37.993 1.00 0.00 C ATOM 476 CG2 ILE A 33 31.575 36.289 36.320 1.00 0.00 C ATOM 477 CD1 ILE A 33 29.675 33.979 37.115 1.00 0.00 C ATOM 0 H ILE A 33 28.506 37.775 38.658 1.00 0.00 H new ATOM 0 HA ILE A 33 31.429 37.427 38.803 1.00 0.00 H new ATOM 0 HB ILE A 33 29.488 36.630 36.594 1.00 0.00 H new ATOM 0 HG12 ILE A 33 31.018 34.853 38.523 1.00 0.00 H new ATOM 0 HG13 ILE A 33 29.341 35.310 38.748 1.00 0.00 H new ATOM 0 HG21 ILE A 33 31.428 35.453 35.637 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.711 37.206 35.747 1.00 0.00 H new ATOM 0 HG23 ILE A 33 32.460 36.108 36.930 1.00 0.00 H new ATOM 0 HD11 ILE A 33 29.516 33.093 37.730 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.747 34.238 36.605 1.00 0.00 H new ATOM 0 HD13 ILE A 33 30.450 33.774 36.377 1.00 0.00 H new ATOM 489 N GLU A 34 31.987 39.233 37.123 1.00 0.00 N ATOM 490 CA GLU A 34 32.302 40.438 36.364 1.00 0.00 C ATOM 491 C GLU A 34 32.443 40.122 34.877 1.00 0.00 C ATOM 492 O GLU A 34 33.193 39.226 34.491 1.00 0.00 O ATOM 493 CB GLU A 34 33.592 41.074 36.886 1.00 0.00 C ATOM 494 CG GLU A 34 33.414 42.505 37.366 1.00 0.00 C ATOM 495 CD GLU A 34 33.261 43.489 36.222 1.00 0.00 C ATOM 496 OE1 GLU A 34 34.069 43.422 35.271 1.00 0.00 O ATOM 497 OE2 GLU A 34 32.336 44.325 36.277 1.00 0.00 O ATOM 0 H GLU A 34 32.802 38.694 37.417 1.00 0.00 H new ATOM 0 HA GLU A 34 31.481 41.143 36.492 1.00 0.00 H new ATOM 0 HB2 GLU A 34 33.979 40.470 37.707 1.00 0.00 H new ATOM 0 HB3 GLU A 34 34.342 41.055 36.095 1.00 0.00 H new ATOM 0 HG2 GLU A 34 32.536 42.562 38.009 1.00 0.00 H new ATOM 0 HG3 GLU A 34 34.273 42.790 37.973 1.00 0.00 H new ATOM 601 N GLU A 41 25.374 41.969 33.742 1.00 0.00 N ATOM 602 CA GLU A 41 25.780 41.111 34.849 1.00 0.00 C ATOM 603 C GLU A 41 24.732 40.035 35.116 1.00 0.00 C ATOM 604 O GLU A 41 23.612 40.105 34.607 1.00 0.00 O ATOM 605 CB GLU A 41 26.005 41.944 36.112 1.00 0.00 C ATOM 606 CG GLU A 41 24.756 42.657 36.602 1.00 0.00 C ATOM 607 CD GLU A 41 24.643 44.071 36.065 1.00 0.00 C ATOM 608 OE1 GLU A 41 25.672 44.778 36.033 1.00 0.00 O ATOM 609 OE2 GLU A 41 23.525 44.470 35.678 1.00 0.00 O ATOM 0 HA GLU A 41 26.715 40.623 34.573 1.00 0.00 H new ATOM 0 HB2 GLU A 41 26.376 41.294 36.904 1.00 0.00 H new ATOM 0 HB3 GLU A 41 26.782 42.683 35.916 1.00 0.00 H new ATOM 0 HG2 GLU A 41 23.876 42.087 36.303 1.00 0.00 H new ATOM 0 HG3 GLU A 41 24.762 42.686 37.692 1.00 0.00 H new ATOM 616 N ILE A 42 25.103 39.041 35.916 1.00 0.00 N ATOM 617 CA ILE A 42 24.196 37.951 36.251 1.00 0.00 C ATOM 618 C ILE A 42 24.391 37.497 37.693 1.00 0.00 C ATOM 619 O ILE A 42 25.377 37.853 38.339 1.00 0.00 O ATOM 620 CB ILE A 42 24.394 36.745 35.313 1.00 0.00 C ATOM 621 CG1 ILE A 42 25.605 35.922 35.756 1.00 0.00 C ATOM 622 CG2 ILE A 42 24.562 37.214 33.876 1.00 0.00 C ATOM 623 CD1 ILE A 42 26.891 36.716 35.806 1.00 0.00 C ATOM 0 H ILE A 42 26.026 38.968 36.344 1.00 0.00 H new ATOM 0 HA ILE A 42 23.183 38.334 36.127 1.00 0.00 H new ATOM 0 HB ILE A 42 23.508 36.112 35.366 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.408 35.503 36.743 1.00 0.00 H new ATOM 0 HG13 ILE A 42 25.733 35.082 35.073 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.701 36.351 33.225 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.673 37.763 33.566 1.00 0.00 H new ATOM 0 HG23 ILE A 42 25.433 37.865 33.805 1.00 0.00 H new ATOM 0 HD11 ILE A 42 27.706 36.068 36.128 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.112 37.113 34.815 1.00 0.00 H new ATOM 0 HD13 ILE A 42 26.783 37.540 36.511 1.00 0.00 H new ATOM 635 N PHE A 43 23.446 36.707 38.192 1.00 0.00 N ATOM 636 CA PHE A 43 23.514 36.202 39.559 1.00 0.00 C ATOM 637 C PHE A 43 23.607 34.679 39.572 1.00 0.00 C ATOM 638 O PHE A 43 22.917 33.997 38.813 1.00 0.00 O ATOM 639 CB PHE A 43 22.289 36.657 40.355 1.00 0.00 C ATOM 640 CG PHE A 43 22.200 36.041 41.722 1.00 0.00 C ATOM 641 CD1 PHE A 43 21.567 34.823 41.907 1.00 0.00 C ATOM 642 CD2 PHE A 43 22.749 36.681 42.821 1.00 0.00 C ATOM 643 CE1 PHE A 43 21.484 34.253 43.164 1.00 0.00 C ATOM 644 CE2 PHE A 43 22.669 36.116 44.080 1.00 0.00 C ATOM 645 CZ PHE A 43 22.035 34.902 44.252 1.00 0.00 C ATOM 0 H PHE A 43 22.624 36.403 37.670 1.00 0.00 H new ATOM 0 HA PHE A 43 24.412 36.607 40.025 1.00 0.00 H new ATOM 0 HB2 PHE A 43 22.313 37.742 40.455 1.00 0.00 H new ATOM 0 HB3 PHE A 43 21.388 36.409 39.794 1.00 0.00 H new ATOM 0 HD1 PHE A 43 21.133 34.313 41.060 1.00 0.00 H new ATOM 0 HD2 PHE A 43 23.245 37.632 42.693 1.00 0.00 H new ATOM 0 HE1 PHE A 43 20.989 33.302 43.295 1.00 0.00 H new ATOM 0 HE2 PHE A 43 23.102 36.624 44.929 1.00 0.00 H new ATOM 0 HZ PHE A 43 21.970 34.460 45.235 1.00 0.00 H new ATOM 655 N PHE A 44 24.465 34.152 40.439 1.00 0.00 N ATOM 656 CA PHE A 44 24.649 32.710 40.551 1.00 0.00 C ATOM 657 C PHE A 44 24.741 32.285 42.014 1.00 0.00 C ATOM 658 O PHE A 44 25.175 33.056 42.870 1.00 0.00 O ATOM 659 CB PHE A 44 25.912 32.276 39.803 1.00 0.00 C ATOM 660 CG PHE A 44 27.185 32.670 40.496 1.00 0.00 C ATOM 661 CD1 PHE A 44 27.631 33.982 40.462 1.00 0.00 C ATOM 662 CD2 PHE A 44 27.935 31.729 41.183 1.00 0.00 C ATOM 663 CE1 PHE A 44 28.802 34.346 41.098 1.00 0.00 C ATOM 664 CE2 PHE A 44 29.107 32.089 41.822 1.00 0.00 C ATOM 665 CZ PHE A 44 29.540 33.399 41.780 1.00 0.00 C ATOM 0 H PHE A 44 25.044 34.702 41.074 1.00 0.00 H new ATOM 0 HA PHE A 44 23.783 32.223 40.103 1.00 0.00 H new ATOM 0 HB2 PHE A 44 25.896 31.193 39.678 1.00 0.00 H new ATOM 0 HB3 PHE A 44 25.901 32.713 38.804 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.057 34.728 39.932 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.600 30.703 41.220 1.00 0.00 H new ATOM 0 HE1 PHE A 44 29.140 35.371 41.062 1.00 0.00 H new ATOM 0 HE2 PHE A 44 29.683 31.346 42.353 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.454 33.683 42.280 1.00 0.00 H new ATOM 675 N HIS A 45 24.328 31.053 42.293 1.00 0.00 N ATOM 676 CA HIS A 45 24.363 30.524 43.652 1.00 0.00 C ATOM 677 C HIS A 45 25.449 29.461 43.794 1.00 0.00 C ATOM 678 O HIS A 45 25.610 28.605 42.924 1.00 0.00 O ATOM 679 CB HIS A 45 23.003 29.934 44.027 1.00 0.00 C ATOM 680 CG HIS A 45 22.478 30.427 45.341 1.00 0.00 C ATOM 681 ND1 HIS A 45 22.891 29.919 46.554 1.00 0.00 N ATOM 682 CD2 HIS A 45 21.571 31.390 45.626 1.00 0.00 C ATOM 683 CE1 HIS A 45 22.258 30.546 47.530 1.00 0.00 C ATOM 684 NE2 HIS A 45 21.451 31.444 46.993 1.00 0.00 N ATOM 0 H HIS A 45 23.965 30.402 41.596 1.00 0.00 H new ATOM 0 HA HIS A 45 24.594 31.346 44.330 1.00 0.00 H new ATOM 0 HB2 HIS A 45 22.284 30.174 43.244 1.00 0.00 H new ATOM 0 HB3 HIS A 45 23.085 28.848 44.062 1.00 0.00 H new ATOM 0 HD2 HIS A 45 21.040 32.002 44.912 1.00 0.00 H new ATOM 0 HE1 HIS A 45 22.380 30.357 48.586 1.00 0.00 H new ATOM 0 HE2 HIS A 45 20.838 32.075 47.510 1.00 0.00 H new ATOM 692 N TYR A 46 26.190 29.523 44.895 1.00 0.00 N ATOM 693 CA TYR A 46 27.262 28.568 45.149 1.00 0.00 C ATOM 694 C TYR A 46 26.728 27.139 45.157 1.00 0.00 C ATOM 695 O TYR A 46 27.446 26.195 44.830 1.00 0.00 O ATOM 696 CB TYR A 46 27.944 28.878 46.483 1.00 0.00 C ATOM 697 CG TYR A 46 28.894 30.053 46.419 1.00 0.00 C ATOM 698 CD1 TYR A 46 30.034 30.007 45.625 1.00 0.00 C ATOM 699 CD2 TYR A 46 28.652 31.208 47.152 1.00 0.00 C ATOM 700 CE1 TYR A 46 30.905 31.077 45.564 1.00 0.00 C ATOM 701 CE2 TYR A 46 29.517 32.283 47.096 1.00 0.00 C ATOM 702 CZ TYR A 46 30.642 32.213 46.301 1.00 0.00 C ATOM 703 OH TYR A 46 31.507 33.282 46.244 1.00 0.00 O ATOM 0 H TYR A 46 26.068 30.224 45.625 1.00 0.00 H new ATOM 0 HA TYR A 46 27.993 28.658 44.346 1.00 0.00 H new ATOM 0 HB2 TYR A 46 27.180 29.080 47.234 1.00 0.00 H new ATOM 0 HB3 TYR A 46 28.492 27.996 46.815 1.00 0.00 H new ATOM 0 HD1 TYR A 46 30.242 29.119 45.046 1.00 0.00 H new ATOM 0 HD2 TYR A 46 27.773 31.266 47.776 1.00 0.00 H new ATOM 0 HE1 TYR A 46 31.787 31.025 44.943 1.00 0.00 H new ATOM 0 HE2 TYR A 46 29.314 33.174 47.672 1.00 0.00 H new ATOM 0 HH TYR A 46 31.938 33.307 45.364 1.00 0.00 H new ATOM 713 N SER A 47 25.462 26.990 45.534 1.00 0.00 N ATOM 714 CA SER A 47 24.831 25.676 45.589 1.00 0.00 C ATOM 715 C SER A 47 24.935 24.967 44.242 1.00 0.00 C ATOM 716 O SER A 47 24.999 23.740 44.179 1.00 0.00 O ATOM 717 CB SER A 47 23.362 25.810 45.996 1.00 0.00 C ATOM 718 OG SER A 47 22.534 25.999 44.862 1.00 0.00 O ATOM 0 H SER A 47 24.853 27.762 45.806 1.00 0.00 H new ATOM 0 HA SER A 47 25.355 25.079 46.335 1.00 0.00 H new ATOM 0 HB2 SER A 47 23.048 24.916 46.535 1.00 0.00 H new ATOM 0 HB3 SER A 47 23.246 26.651 46.679 1.00 0.00 H new ATOM 0 HG SER A 47 21.600 26.080 45.149 1.00 0.00 H new ATOM 724 N GLU A 48 24.950 25.750 43.168 1.00 0.00 N ATOM 725 CA GLU A 48 25.045 25.197 41.822 1.00 0.00 C ATOM 726 C GLU A 48 26.500 25.110 41.371 1.00 0.00 C ATOM 727 O GLU A 48 26.855 24.273 40.540 1.00 0.00 O ATOM 728 CB GLU A 48 24.245 26.052 40.837 1.00 0.00 C ATOM 729 CG GLU A 48 22.902 25.450 40.459 1.00 0.00 C ATOM 730 CD GLU A 48 21.985 25.274 41.654 1.00 0.00 C ATOM 731 OE1 GLU A 48 22.147 24.274 42.384 1.00 0.00 O ATOM 732 OE2 GLU A 48 21.104 26.136 41.858 1.00 0.00 O ATOM 0 H GLU A 48 24.898 26.768 43.204 1.00 0.00 H new ATOM 0 HA GLU A 48 24.627 24.190 41.841 1.00 0.00 H new ATOM 0 HB2 GLU A 48 24.082 27.037 41.274 1.00 0.00 H new ATOM 0 HB3 GLU A 48 24.836 26.198 39.933 1.00 0.00 H new ATOM 0 HG2 GLU A 48 22.415 26.090 39.723 1.00 0.00 H new ATOM 0 HG3 GLU A 48 23.063 24.483 39.983 1.00 0.00 H new ATOM 739 N PHE A 49 27.338 25.980 41.924 1.00 0.00 N ATOM 740 CA PHE A 49 28.755 26.004 41.579 1.00 0.00 C ATOM 741 C PHE A 49 29.382 24.624 41.761 1.00 0.00 C ATOM 742 O PHE A 49 29.345 24.051 42.850 1.00 0.00 O ATOM 743 CB PHE A 49 29.494 27.030 42.439 1.00 0.00 C ATOM 744 CG PHE A 49 30.986 26.992 42.268 1.00 0.00 C ATOM 745 CD1 PHE A 49 31.597 27.691 41.239 1.00 0.00 C ATOM 746 CD2 PHE A 49 31.778 26.257 43.136 1.00 0.00 C ATOM 747 CE1 PHE A 49 32.969 27.659 41.079 1.00 0.00 C ATOM 748 CE2 PHE A 49 33.151 26.221 42.981 1.00 0.00 C ATOM 749 CZ PHE A 49 33.747 26.922 41.950 1.00 0.00 C ATOM 0 H PHE A 49 27.060 26.678 42.614 1.00 0.00 H new ATOM 0 HA PHE A 49 28.844 26.289 40.531 1.00 0.00 H new ATOM 0 HB2 PHE A 49 29.133 28.028 42.190 1.00 0.00 H new ATOM 0 HB3 PHE A 49 29.252 26.855 43.487 1.00 0.00 H new ATOM 0 HD1 PHE A 49 30.993 28.268 40.554 1.00 0.00 H new ATOM 0 HD2 PHE A 49 31.317 25.706 43.943 1.00 0.00 H new ATOM 0 HE1 PHE A 49 33.432 28.210 40.274 1.00 0.00 H new ATOM 0 HE2 PHE A 49 33.757 25.646 43.665 1.00 0.00 H new ATOM 0 HZ PHE A 49 34.819 26.894 41.826 1.00 0.00 H new ATOM 759 N LYS A 50 29.957 24.096 40.685 1.00 0.00 N ATOM 760 CA LYS A 50 30.593 22.785 40.724 1.00 0.00 C ATOM 761 C LYS A 50 32.109 22.912 40.612 1.00 0.00 C ATOM 762 O LYS A 50 32.683 22.693 39.547 1.00 0.00 O ATOM 763 CB LYS A 50 30.060 21.903 39.592 1.00 0.00 C ATOM 764 CG LYS A 50 28.548 21.937 39.455 1.00 0.00 C ATOM 765 CD LYS A 50 27.862 21.520 40.746 1.00 0.00 C ATOM 766 CE LYS A 50 28.218 20.092 41.129 1.00 0.00 C ATOM 767 NZ LYS A 50 27.833 19.120 40.069 1.00 0.00 N ATOM 0 H LYS A 50 29.995 24.556 39.776 1.00 0.00 H new ATOM 0 HA LYS A 50 30.354 22.322 41.681 1.00 0.00 H new ATOM 0 HB2 LYS A 50 30.509 22.223 38.652 1.00 0.00 H new ATOM 0 HB3 LYS A 50 30.378 20.875 39.764 1.00 0.00 H new ATOM 0 HG2 LYS A 50 28.229 22.943 39.181 1.00 0.00 H new ATOM 0 HG3 LYS A 50 28.240 21.273 38.647 1.00 0.00 H new ATOM 0 HD2 LYS A 50 28.153 22.197 41.549 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.782 21.609 40.631 1.00 0.00 H new ATOM 0 HE2 LYS A 50 29.290 20.022 41.313 1.00 0.00 H new ATOM 0 HE3 LYS A 50 27.717 19.830 42.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 27.886 18.153 40.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 26.861 19.316 39.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 28.483 19.211 39.262 1.00 0.00 H new ATOM 781 N GLY A 51 32.752 23.267 41.721 1.00 0.00 N ATOM 782 CA GLY A 51 34.195 23.416 41.726 1.00 0.00 C ATOM 783 C GLY A 51 34.779 23.360 43.124 1.00 0.00 C ATOM 784 O GLY A 51 34.272 22.642 43.987 1.00 0.00 O ATOM 0 H GLY A 51 32.299 23.454 42.615 1.00 0.00 H new ATOM 0 HA2 GLY A 51 34.641 22.629 41.118 1.00 0.00 H new ATOM 0 HA3 GLY A 51 34.461 24.366 41.262 1.00 0.00 H new ATOM 788 N ASP A 52 35.848 24.116 43.348 1.00 0.00 N ATOM 789 CA ASP A 52 36.502 24.149 44.651 1.00 0.00 C ATOM 790 C ASP A 52 35.961 25.294 45.502 1.00 0.00 C ATOM 791 O ASP A 52 36.442 26.425 45.418 1.00 0.00 O ATOM 792 CB ASP A 52 38.015 24.293 44.482 1.00 0.00 C ATOM 793 CG ASP A 52 38.544 23.502 43.302 1.00 0.00 C ATOM 794 OD1 ASP A 52 38.042 22.383 43.064 1.00 0.00 O ATOM 795 OD2 ASP A 52 39.459 24.003 42.615 1.00 0.00 O ATOM 0 H ASP A 52 36.280 24.714 42.644 1.00 0.00 H new ATOM 0 HA ASP A 52 36.289 23.210 45.161 1.00 0.00 H new ATOM 0 HB2 ASP A 52 38.264 25.346 44.351 1.00 0.00 H new ATOM 0 HB3 ASP A 52 38.513 23.959 45.392 1.00 0.00 H new ATOM 800 N LEU A 53 34.957 24.994 46.319 1.00 0.00 N ATOM 801 CA LEU A 53 34.349 25.998 47.185 1.00 0.00 C ATOM 802 C LEU A 53 35.327 26.449 48.265 1.00 0.00 C ATOM 803 O LEU A 53 35.221 27.558 48.787 1.00 0.00 O ATOM 804 CB LEU A 53 33.079 25.442 47.830 1.00 0.00 C ATOM 805 CG LEU A 53 31.860 26.365 47.817 1.00 0.00 C ATOM 806 CD1 LEU A 53 32.183 27.685 48.500 1.00 0.00 C ATOM 807 CD2 LEU A 53 31.385 26.602 46.391 1.00 0.00 C ATOM 0 H LEU A 53 34.547 24.064 46.400 1.00 0.00 H new ATOM 0 HA LEU A 53 34.089 26.862 46.573 1.00 0.00 H new ATOM 0 HB2 LEU A 53 32.813 24.515 47.322 1.00 0.00 H new ATOM 0 HB3 LEU A 53 33.304 25.185 48.865 1.00 0.00 H new ATOM 0 HG LEU A 53 31.055 25.880 48.370 1.00 0.00 H new ATOM 0 HD11 LEU A 53 31.304 28.329 48.481 1.00 0.00 H new ATOM 0 HD12 LEU A 53 32.474 27.498 49.534 1.00 0.00 H new ATOM 0 HD13 LEU A 53 33.003 28.175 47.975 1.00 0.00 H new ATOM 0 HD21 LEU A 53 30.517 27.261 46.401 1.00 0.00 H new ATOM 0 HD22 LEU A 53 32.185 27.065 45.813 1.00 0.00 H new ATOM 0 HD23 LEU A 53 31.112 25.650 45.935 1.00 0.00 H new ATOM 819 N GLU A 54 36.279 25.581 48.594 1.00 0.00 N ATOM 820 CA GLU A 54 37.276 25.892 49.612 1.00 0.00 C ATOM 821 C GLU A 54 38.366 26.799 49.047 1.00 0.00 C ATOM 822 O GLU A 54 38.860 27.696 49.730 1.00 0.00 O ATOM 823 CB GLU A 54 37.900 24.605 50.156 1.00 0.00 C ATOM 824 CG GLU A 54 38.548 23.743 49.086 1.00 0.00 C ATOM 825 CD GLU A 54 38.314 22.262 49.309 1.00 0.00 C ATOM 826 OE1 GLU A 54 39.005 21.674 50.167 1.00 0.00 O ATOM 827 OE2 GLU A 54 37.438 21.690 48.626 1.00 0.00 O ATOM 0 H GLU A 54 36.381 24.658 48.171 1.00 0.00 H new ATOM 0 HA GLU A 54 36.776 26.417 50.426 1.00 0.00 H new ATOM 0 HB2 GLU A 54 38.648 24.863 50.905 1.00 0.00 H new ATOM 0 HB3 GLU A 54 37.129 24.023 50.662 1.00 0.00 H new ATOM 0 HG2 GLU A 54 38.155 24.026 48.110 1.00 0.00 H new ATOM 0 HG3 GLU A 54 39.620 23.939 49.067 1.00 0.00 H new ATOM 834 N THR A 55 38.737 26.558 47.793 1.00 0.00 N ATOM 835 CA THR A 55 39.769 27.350 47.136 1.00 0.00 C ATOM 836 C THR A 55 39.278 27.890 45.797 1.00 0.00 C ATOM 837 O THR A 55 39.454 27.254 44.757 1.00 0.00 O ATOM 838 CB THR A 55 41.049 26.525 46.905 1.00 0.00 C ATOM 839 OG1 THR A 55 40.769 25.417 46.042 1.00 0.00 O ATOM 840 CG2 THR A 55 41.610 26.017 48.225 1.00 0.00 C ATOM 0 H THR A 55 38.338 25.820 47.212 1.00 0.00 H new ATOM 0 HA THR A 55 39.998 28.184 47.800 1.00 0.00 H new ATOM 0 HB THR A 55 41.792 27.171 46.437 1.00 0.00 H new ATOM 0 HG1 THR A 55 40.244 25.725 45.274 1.00 0.00 H new ATOM 0 HG21 THR A 55 42.514 25.437 48.037 1.00 0.00 H new ATOM 0 HG22 THR A 55 41.849 26.864 48.869 1.00 0.00 H new ATOM 0 HG23 THR A 55 40.869 25.386 48.716 1.00 0.00 H new ATOM 848 N LEU A 56 38.663 29.067 45.830 1.00 0.00 N ATOM 849 CA LEU A 56 38.147 29.694 44.618 1.00 0.00 C ATOM 850 C LEU A 56 38.730 31.092 44.438 1.00 0.00 C ATOM 851 O LEU A 56 39.010 31.518 43.318 1.00 0.00 O ATOM 852 CB LEU A 56 36.620 29.768 44.668 1.00 0.00 C ATOM 853 CG LEU A 56 35.962 30.734 43.683 1.00 0.00 C ATOM 854 CD1 LEU A 56 36.463 30.480 42.270 1.00 0.00 C ATOM 855 CD2 LEU A 56 34.446 30.608 43.744 1.00 0.00 C ATOM 0 H LEU A 56 38.510 29.606 46.682 1.00 0.00 H new ATOM 0 HA LEU A 56 38.447 29.083 43.767 1.00 0.00 H new ATOM 0 HB2 LEU A 56 36.222 28.770 44.487 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.323 30.052 45.678 1.00 0.00 H new ATOM 0 HG LEU A 56 36.234 31.751 43.965 1.00 0.00 H new ATOM 0 HD11 LEU A 56 35.983 31.177 41.583 1.00 0.00 H new ATOM 0 HD12 LEU A 56 37.543 30.622 42.236 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.222 29.458 41.977 1.00 0.00 H new ATOM 0 HD21 LEU A 56 33.994 31.303 43.036 1.00 0.00 H new ATOM 0 HD22 LEU A 56 34.155 29.589 43.488 1.00 0.00 H new ATOM 0 HD23 LEU A 56 34.102 30.841 44.752 1.00 0.00 H new ATOM 867 N GLN A 57 38.910 31.800 45.548 1.00 0.00 N ATOM 868 CA GLN A 57 39.460 33.150 45.512 1.00 0.00 C ATOM 869 C GLN A 57 40.858 33.152 44.901 1.00 0.00 C ATOM 870 O GLN A 57 41.529 32.122 44.822 1.00 0.00 O ATOM 871 CB GLN A 57 39.507 33.742 46.922 1.00 0.00 C ATOM 872 CG GLN A 57 38.390 34.734 47.202 1.00 0.00 C ATOM 873 CD GLN A 57 38.862 35.933 48.001 1.00 0.00 C ATOM 874 OE1 GLN A 57 38.839 37.065 47.516 1.00 0.00 O ATOM 875 NE2 GLN A 57 39.292 35.691 49.234 1.00 0.00 N ATOM 0 H GLN A 57 38.683 31.462 46.483 1.00 0.00 H new ATOM 0 HA GLN A 57 38.809 33.764 44.889 1.00 0.00 H new ATOM 0 HB2 GLN A 57 39.453 32.932 47.649 1.00 0.00 H new ATOM 0 HB3 GLN A 57 40.467 34.238 47.067 1.00 0.00 H new ATOM 0 HG2 GLN A 57 37.967 35.075 46.257 1.00 0.00 H new ATOM 0 HG3 GLN A 57 37.590 34.231 47.746 1.00 0.00 H new ATOM 0 HE21 GLN A 57 39.294 34.737 49.596 1.00 0.00 H new ATOM 0 HE22 GLN A 57 39.621 36.459 49.819 1.00 0.00 H new ATOM 884 N PRO A 58 41.308 34.334 44.457 1.00 0.00 N ATOM 885 CA PRO A 58 40.518 35.566 44.545 1.00 0.00 C ATOM 886 C PRO A 58 39.322 35.556 43.600 1.00 0.00 C ATOM 887 O PRO A 58 38.201 35.869 43.999 1.00 0.00 O ATOM 888 CB PRO A 58 41.513 36.656 44.137 1.00 0.00 C ATOM 889 CG PRO A 58 42.513 35.955 43.283 1.00 0.00 C ATOM 890 CD PRO A 58 42.623 34.560 43.834 1.00 0.00 C ATOM 0 HA PRO A 58 40.094 35.708 45.539 1.00 0.00 H new ATOM 0 HB2 PRO A 58 41.019 37.459 43.590 1.00 0.00 H new ATOM 0 HB3 PRO A 58 41.985 37.108 45.009 1.00 0.00 H new ATOM 0 HG2 PRO A 58 42.193 35.939 42.241 1.00 0.00 H new ATOM 0 HG3 PRO A 58 43.477 36.464 43.313 1.00 0.00 H new ATOM 0 HD2 PRO A 58 42.826 33.832 43.048 1.00 0.00 H new ATOM 0 HD3 PRO A 58 43.431 34.478 44.561 1.00 0.00 H new ATOM 898 N GLY A 59 39.568 35.195 42.344 1.00 0.00 N ATOM 899 CA GLY A 59 38.501 35.151 41.362 1.00 0.00 C ATOM 900 C GLY A 59 38.827 34.244 40.192 1.00 0.00 C ATOM 901 O GLY A 59 38.951 34.705 39.057 1.00 0.00 O ATOM 0 H GLY A 59 40.488 34.932 41.989 1.00 0.00 H new ATOM 0 HA2 GLY A 59 37.585 34.806 41.841 1.00 0.00 H new ATOM 0 HA3 GLY A 59 38.308 36.159 40.994 1.00 0.00 H new ATOM 905 N ASP A 60 38.967 32.952 40.467 1.00 0.00 N ATOM 906 CA ASP A 60 39.281 31.979 39.428 1.00 0.00 C ATOM 907 C ASP A 60 38.251 32.031 38.304 1.00 0.00 C ATOM 908 O ASP A 60 37.055 32.185 38.552 1.00 0.00 O ATOM 909 CB ASP A 60 39.337 30.570 40.020 1.00 0.00 C ATOM 910 CG ASP A 60 40.758 30.068 40.189 1.00 0.00 C ATOM 911 OD1 ASP A 60 41.607 30.845 40.673 1.00 0.00 O ATOM 912 OD2 ASP A 60 41.021 28.900 39.835 1.00 0.00 O ATOM 0 H ASP A 60 38.868 32.554 41.401 1.00 0.00 H new ATOM 0 HA ASP A 60 40.257 32.230 39.013 1.00 0.00 H new ATOM 0 HB2 ASP A 60 38.836 30.566 40.988 1.00 0.00 H new ATOM 0 HB3 ASP A 60 38.788 29.886 39.374 1.00 0.00 H new ATOM 917 N ASP A 61 38.724 31.905 37.069 1.00 0.00 N ATOM 918 CA ASP A 61 37.844 31.938 35.907 1.00 0.00 C ATOM 919 C ASP A 61 36.703 30.936 36.060 1.00 0.00 C ATOM 920 O ASP A 61 36.901 29.825 36.552 1.00 0.00 O ATOM 921 CB ASP A 61 38.635 31.638 34.633 1.00 0.00 C ATOM 922 CG ASP A 61 39.792 32.597 34.431 1.00 0.00 C ATOM 923 OD1 ASP A 61 39.857 33.609 35.159 1.00 0.00 O ATOM 924 OD2 ASP A 61 40.633 32.335 33.545 1.00 0.00 O ATOM 0 H ASP A 61 39.712 31.779 36.847 1.00 0.00 H new ATOM 0 HA ASP A 61 37.417 32.938 35.834 1.00 0.00 H new ATOM 0 HB2 ASP A 61 39.016 30.618 34.677 1.00 0.00 H new ATOM 0 HB3 ASP A 61 37.967 31.692 33.773 1.00 0.00 H new ATOM 929 N VAL A 62 35.509 31.338 35.636 1.00 0.00 N ATOM 930 CA VAL A 62 34.337 30.476 35.726 1.00 0.00 C ATOM 931 C VAL A 62 33.464 30.603 34.482 1.00 0.00 C ATOM 932 O VAL A 62 33.554 31.586 33.748 1.00 0.00 O ATOM 933 CB VAL A 62 33.490 30.807 36.969 1.00 0.00 C ATOM 934 CG1 VAL A 62 34.234 30.425 38.240 1.00 0.00 C ATOM 935 CG2 VAL A 62 33.118 32.282 36.982 1.00 0.00 C ATOM 0 H VAL A 62 35.328 32.255 35.227 1.00 0.00 H new ATOM 0 HA VAL A 62 34.703 29.453 35.807 1.00 0.00 H new ATOM 0 HB VAL A 62 32.570 30.224 36.926 1.00 0.00 H new ATOM 0 HG11 VAL A 62 33.620 30.666 39.108 1.00 0.00 H new ATOM 0 HG12 VAL A 62 34.445 29.356 38.231 1.00 0.00 H new ATOM 0 HG13 VAL A 62 35.171 30.979 38.293 1.00 0.00 H new ATOM 0 HG21 VAL A 62 32.520 32.499 37.867 1.00 0.00 H new ATOM 0 HG22 VAL A 62 34.025 32.886 37.001 1.00 0.00 H new ATOM 0 HG23 VAL A 62 32.542 32.520 36.088 1.00 0.00 H new ATOM 945 N GLU A 63 32.621 29.601 34.252 1.00 0.00 N ATOM 946 CA GLU A 63 31.733 29.601 33.096 1.00 0.00 C ATOM 947 C GLU A 63 30.279 29.430 33.527 1.00 0.00 C ATOM 948 O GLU A 63 29.991 28.782 34.533 1.00 0.00 O ATOM 949 CB GLU A 63 32.123 28.486 32.124 1.00 0.00 C ATOM 950 CG GLU A 63 31.542 28.661 30.731 1.00 0.00 C ATOM 951 CD GLU A 63 30.452 27.653 30.423 1.00 0.00 C ATOM 952 OE1 GLU A 63 29.291 27.896 30.816 1.00 0.00 O ATOM 953 OE2 GLU A 63 30.759 26.622 29.789 1.00 0.00 O ATOM 0 H GLU A 63 32.535 28.780 34.851 1.00 0.00 H new ATOM 0 HA GLU A 63 31.834 30.563 32.593 1.00 0.00 H new ATOM 0 HB2 GLU A 63 33.210 28.442 32.052 1.00 0.00 H new ATOM 0 HB3 GLU A 63 31.791 27.530 32.529 1.00 0.00 H new ATOM 0 HG2 GLU A 63 31.138 29.669 30.634 1.00 0.00 H new ATOM 0 HG3 GLU A 63 32.339 28.565 29.994 1.00 0.00 H new ATOM 960 N PHE A 64 29.367 30.016 32.758 1.00 0.00 N ATOM 961 CA PHE A 64 27.943 29.929 33.060 1.00 0.00 C ATOM 962 C PHE A 64 27.113 29.957 31.780 1.00 0.00 C ATOM 963 O PHE A 64 27.645 30.142 30.685 1.00 0.00 O ATOM 964 CB PHE A 64 27.524 31.080 33.978 1.00 0.00 C ATOM 965 CG PHE A 64 27.989 32.426 33.502 1.00 0.00 C ATOM 966 CD1 PHE A 64 27.311 33.090 32.491 1.00 0.00 C ATOM 967 CD2 PHE A 64 29.102 33.029 34.065 1.00 0.00 C ATOM 968 CE1 PHE A 64 27.737 34.329 32.051 1.00 0.00 C ATOM 969 CE2 PHE A 64 29.532 34.268 33.628 1.00 0.00 C ATOM 970 CZ PHE A 64 28.848 34.919 32.621 1.00 0.00 C ATOM 0 H PHE A 64 29.589 30.556 31.922 1.00 0.00 H new ATOM 0 HA PHE A 64 27.762 28.982 33.569 1.00 0.00 H new ATOM 0 HB2 PHE A 64 26.437 31.089 34.063 1.00 0.00 H new ATOM 0 HB3 PHE A 64 27.921 30.900 34.977 1.00 0.00 H new ATOM 0 HD1 PHE A 64 26.441 32.634 32.043 1.00 0.00 H new ATOM 0 HD2 PHE A 64 29.640 32.525 34.854 1.00 0.00 H new ATOM 0 HE1 PHE A 64 27.201 34.836 31.262 1.00 0.00 H new ATOM 0 HE2 PHE A 64 30.402 34.726 34.074 1.00 0.00 H new ATOM 0 HZ PHE A 64 29.181 35.888 32.280 1.00 0.00 H new ATOM 980 N THR A 65 25.805 29.772 31.926 1.00 0.00 N ATOM 981 CA THR A 65 24.900 29.774 30.783 1.00 0.00 C ATOM 982 C THR A 65 23.726 30.718 31.013 1.00 0.00 C ATOM 983 O THR A 65 23.060 30.656 32.048 1.00 0.00 O ATOM 984 CB THR A 65 24.359 28.362 30.493 1.00 0.00 C ATOM 985 OG1 THR A 65 25.444 27.468 30.221 1.00 0.00 O ATOM 986 CG2 THR A 65 23.403 28.381 29.310 1.00 0.00 C ATOM 0 H THR A 65 25.348 29.619 32.825 1.00 0.00 H new ATOM 0 HA THR A 65 25.476 30.118 29.924 1.00 0.00 H new ATOM 0 HB THR A 65 23.816 28.017 31.373 1.00 0.00 H new ATOM 0 HG1 THR A 65 25.092 26.572 30.039 1.00 0.00 H new ATOM 0 HG21 THR A 65 23.034 27.372 29.124 1.00 0.00 H new ATOM 0 HG22 THR A 65 22.563 29.040 29.531 1.00 0.00 H new ATOM 0 HG23 THR A 65 23.926 28.745 28.425 1.00 0.00 H new ATOM 994 N ILE A 66 23.476 31.592 30.044 1.00 0.00 N ATOM 995 CA ILE A 66 22.380 32.548 30.141 1.00 0.00 C ATOM 996 C ILE A 66 21.091 31.966 29.570 1.00 0.00 C ATOM 997 O ILE A 66 21.099 31.320 28.522 1.00 0.00 O ATOM 998 CB ILE A 66 22.710 33.859 29.403 1.00 0.00 C ATOM 999 CG1 ILE A 66 24.095 34.365 29.811 1.00 0.00 C ATOM 1000 CG2 ILE A 66 21.649 34.911 29.693 1.00 0.00 C ATOM 1001 CD1 ILE A 66 24.237 34.603 31.298 1.00 0.00 C ATOM 0 H ILE A 66 24.018 31.658 29.182 1.00 0.00 H new ATOM 0 HA ILE A 66 22.241 32.763 31.201 1.00 0.00 H new ATOM 0 HB ILE A 66 22.717 33.663 28.331 1.00 0.00 H new ATOM 0 HG12 ILE A 66 24.845 33.641 29.494 1.00 0.00 H new ATOM 0 HG13 ILE A 66 24.304 35.294 29.281 1.00 0.00 H new ATOM 0 HG21 ILE A 66 21.896 35.832 29.165 1.00 0.00 H new ATOM 0 HG22 ILE A 66 20.677 34.550 29.358 1.00 0.00 H new ATOM 0 HG23 ILE A 66 21.613 35.106 30.765 1.00 0.00 H new ATOM 0 HD11 ILE A 66 25.244 34.960 31.515 1.00 0.00 H new ATOM 0 HD12 ILE A 66 23.510 35.349 31.618 1.00 0.00 H new ATOM 0 HD13 ILE A 66 24.060 33.671 31.834 1.00 0.00 H new ATOM 1013 N LYS A 67 19.984 32.202 30.265 1.00 0.00 N ATOM 1014 CA LYS A 67 18.685 31.705 29.827 1.00 0.00 C ATOM 1015 C LYS A 67 17.717 32.858 29.577 1.00 0.00 C ATOM 1016 O LYS A 67 18.069 34.025 29.750 1.00 0.00 O ATOM 1017 CB LYS A 67 18.101 30.753 30.873 1.00 0.00 C ATOM 1018 CG LYS A 67 18.989 29.557 31.170 1.00 0.00 C ATOM 1019 CD LYS A 67 19.298 28.766 29.910 1.00 0.00 C ATOM 1020 CE LYS A 67 20.064 27.490 30.227 1.00 0.00 C ATOM 1021 NZ LYS A 67 20.132 26.578 29.052 1.00 0.00 N ATOM 0 H LYS A 67 19.960 32.735 31.135 1.00 0.00 H new ATOM 0 HA LYS A 67 18.828 31.164 28.892 1.00 0.00 H new ATOM 0 HB2 LYS A 67 17.927 31.304 31.797 1.00 0.00 H new ATOM 0 HB3 LYS A 67 17.131 30.397 30.527 1.00 0.00 H new ATOM 0 HG2 LYS A 67 19.919 29.897 31.624 1.00 0.00 H new ATOM 0 HG3 LYS A 67 18.498 28.909 31.896 1.00 0.00 H new ATOM 0 HD2 LYS A 67 18.368 28.516 29.399 1.00 0.00 H new ATOM 0 HD3 LYS A 67 19.882 29.382 29.226 1.00 0.00 H new ATOM 0 HE2 LYS A 67 21.074 27.743 30.549 1.00 0.00 H new ATOM 0 HE3 LYS A 67 19.584 26.975 31.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 20.662 25.720 29.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 19.169 26.316 28.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 20.613 27.060 28.266 1.00 0.00 H new ATOM 1129 N VAL A 74 20.049 35.428 34.861 1.00 0.00 N ATOM 1130 CA VAL A 74 20.734 34.730 35.942 1.00 0.00 C ATOM 1131 C VAL A 74 21.478 33.505 35.421 1.00 0.00 C ATOM 1132 O VAL A 74 21.044 32.863 34.465 1.00 0.00 O ATOM 1133 CB VAL A 74 19.748 34.289 37.040 1.00 0.00 C ATOM 1134 CG1 VAL A 74 19.152 35.501 37.740 1.00 0.00 C ATOM 1135 CG2 VAL A 74 18.654 33.410 36.452 1.00 0.00 C ATOM 0 HA VAL A 74 21.450 35.433 36.368 1.00 0.00 H new ATOM 0 HB VAL A 74 20.293 33.704 37.780 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.458 35.170 38.512 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.950 36.087 38.196 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.620 36.116 37.014 1.00 0.00 H new ATOM 0 HG21 VAL A 74 17.966 33.108 37.242 1.00 0.00 H new ATOM 0 HG22 VAL A 74 18.109 33.968 35.690 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.102 32.524 36.002 1.00 0.00 H new ATOM 1145 N ALA A 75 22.600 33.186 36.056 1.00 0.00 N ATOM 1146 CA ALA A 75 23.403 32.036 35.659 1.00 0.00 C ATOM 1147 C ALA A 75 23.056 30.809 36.494 1.00 0.00 C ATOM 1148 O ALA A 75 22.791 30.914 37.692 1.00 0.00 O ATOM 1149 CB ALA A 75 24.885 32.359 35.782 1.00 0.00 C ATOM 0 H ALA A 75 22.974 33.708 36.848 1.00 0.00 H new ATOM 0 HA ALA A 75 23.177 31.809 34.617 1.00 0.00 H new ATOM 0 HB1 ALA A 75 25.473 31.491 35.482 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.128 33.203 35.136 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.117 32.615 36.816 1.00 0.00 H new ATOM 1155 N THR A 76 23.058 29.643 35.854 1.00 0.00 N ATOM 1156 CA THR A 76 22.741 28.396 36.538 1.00 0.00 C ATOM 1157 C THR A 76 23.814 27.342 36.285 1.00 0.00 C ATOM 1158 O THR A 76 24.359 27.250 35.184 1.00 0.00 O ATOM 1159 CB THR A 76 21.376 27.840 36.090 1.00 0.00 C ATOM 1160 OG1 THR A 76 20.768 28.734 35.151 1.00 0.00 O ATOM 1161 CG2 THR A 76 20.453 27.645 37.283 1.00 0.00 C ATOM 0 H THR A 76 23.276 29.537 34.863 1.00 0.00 H new ATOM 0 HA THR A 76 22.701 28.622 37.604 1.00 0.00 H new ATOM 0 HB THR A 76 21.540 26.872 35.616 1.00 0.00 H new ATOM 0 HG1 THR A 76 19.901 28.373 34.869 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.495 27.252 36.942 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.906 26.942 37.982 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.295 28.602 37.781 1.00 0.00 H new ATOM 1169 N ASP A 77 24.112 26.550 37.308 1.00 0.00 N ATOM 1170 CA ASP A 77 25.118 25.501 37.196 1.00 0.00 C ATOM 1171 C ASP A 77 26.445 26.072 36.705 1.00 0.00 C ATOM 1172 O ASP A 77 26.815 25.902 35.544 1.00 0.00 O ATOM 1173 CB ASP A 77 24.638 24.404 36.245 1.00 0.00 C ATOM 1174 CG ASP A 77 25.362 23.090 36.465 1.00 0.00 C ATOM 1175 OD1 ASP A 77 25.199 22.497 37.552 1.00 0.00 O ATOM 1176 OD2 ASP A 77 26.090 22.653 35.549 1.00 0.00 O ATOM 0 H ASP A 77 23.671 26.614 38.225 1.00 0.00 H new ATOM 0 HA ASP A 77 25.271 25.071 38.186 1.00 0.00 H new ATOM 0 HB2 ASP A 77 23.567 24.253 36.380 1.00 0.00 H new ATOM 0 HB3 ASP A 77 24.786 24.729 35.215 1.00 0.00 H new ATOM 1181 N VAL A 78 27.158 26.752 37.599 1.00 0.00 N ATOM 1182 CA VAL A 78 28.443 27.348 37.257 1.00 0.00 C ATOM 1183 C VAL A 78 29.563 26.316 37.326 1.00 0.00 C ATOM 1184 O VAL A 78 29.631 25.520 38.263 1.00 0.00 O ATOM 1185 CB VAL A 78 28.784 28.523 38.194 1.00 0.00 C ATOM 1186 CG1 VAL A 78 30.153 29.093 37.858 1.00 0.00 C ATOM 1187 CG2 VAL A 78 27.713 29.599 38.109 1.00 0.00 C ATOM 0 H VAL A 78 26.867 26.903 38.565 1.00 0.00 H new ATOM 0 HA VAL A 78 28.358 27.720 36.236 1.00 0.00 H new ATOM 0 HB VAL A 78 28.813 28.152 39.219 1.00 0.00 H new ATOM 0 HG11 VAL A 78 30.377 29.922 38.530 1.00 0.00 H new ATOM 0 HG12 VAL A 78 30.909 28.317 37.975 1.00 0.00 H new ATOM 0 HG13 VAL A 78 30.156 29.450 36.828 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.970 30.421 38.777 1.00 0.00 H new ATOM 0 HG22 VAL A 78 27.649 29.969 37.086 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.751 29.179 38.403 1.00 0.00 H new ATOM 1197 N ARG A 79 30.441 26.336 36.328 1.00 0.00 N ATOM 1198 CA ARG A 79 31.558 25.401 36.275 1.00 0.00 C ATOM 1199 C ARG A 79 32.883 26.145 36.126 1.00 0.00 C ATOM 1200 O ARG A 79 33.039 26.985 35.238 1.00 0.00 O ATOM 1201 CB ARG A 79 31.377 24.422 35.113 1.00 0.00 C ATOM 1202 CG ARG A 79 31.382 25.090 33.747 1.00 0.00 C ATOM 1203 CD ARG A 79 30.719 24.214 32.696 1.00 0.00 C ATOM 1204 NE ARG A 79 31.441 22.960 32.494 1.00 0.00 N ATOM 1205 CZ ARG A 79 32.545 22.858 31.764 1.00 0.00 C ATOM 1206 NH1 ARG A 79 33.052 23.929 31.168 1.00 0.00 N ATOM 1207 NH2 ARG A 79 33.145 21.682 31.627 1.00 0.00 N ATOM 0 H ARG A 79 30.400 26.989 35.546 1.00 0.00 H new ATOM 0 HA ARG A 79 31.577 24.843 37.211 1.00 0.00 H new ATOM 0 HB2 ARG A 79 32.174 23.679 35.148 1.00 0.00 H new ATOM 0 HB3 ARG A 79 30.436 23.887 35.243 1.00 0.00 H new ATOM 0 HG2 ARG A 79 30.862 26.046 33.806 1.00 0.00 H new ATOM 0 HG3 ARG A 79 32.408 25.304 33.449 1.00 0.00 H new ATOM 0 HD2 ARG A 79 29.694 23.998 32.998 1.00 0.00 H new ATOM 0 HD3 ARG A 79 30.665 24.757 31.753 1.00 0.00 H new ATOM 0 HE ARG A 79 31.077 22.117 32.938 1.00 0.00 H new ATOM 0 HH11 ARG A 79 32.593 24.834 31.270 1.00 0.00 H new ATOM 0 HH12 ARG A 79 33.900 23.847 30.608 1.00 0.00 H new ATOM 0 HH21 ARG A 79 32.758 20.856 32.083 1.00 0.00 H new ATOM 0 HH22 ARG A 79 33.993 21.605 31.066 1.00 0.00 H new ATOM 1221 N LEU A 80 33.833 25.831 36.999 1.00 0.00 N ATOM 1222 CA LEU A 80 35.144 26.469 36.966 1.00 0.00 C ATOM 1223 C LEU A 80 35.805 26.285 35.604 1.00 0.00 C ATOM 1224 O LEU A 80 35.573 25.287 34.919 1.00 0.00 O ATOM 1225 CB LEU A 80 36.041 25.894 38.063 1.00 0.00 C ATOM 1226 CG LEU A 80 36.221 26.764 39.308 1.00 0.00 C ATOM 1227 CD1 LEU A 80 36.993 26.009 40.379 1.00 0.00 C ATOM 1228 CD2 LEU A 80 36.929 28.063 38.953 1.00 0.00 C ATOM 0 H LEU A 80 33.720 25.138 37.739 1.00 0.00 H new ATOM 0 HA LEU A 80 35.006 27.536 37.141 1.00 0.00 H new ATOM 0 HB2 LEU A 80 35.632 24.932 38.372 1.00 0.00 H new ATOM 0 HB3 LEU A 80 37.024 25.699 37.635 1.00 0.00 H new ATOM 0 HG LEU A 80 35.235 27.008 39.704 1.00 0.00 H new ATOM 0 HD11 LEU A 80 37.112 26.643 41.257 1.00 0.00 H new ATOM 0 HD12 LEU A 80 36.446 25.107 40.654 1.00 0.00 H new ATOM 0 HD13 LEU A 80 37.975 25.735 39.994 1.00 0.00 H new ATOM 0 HD21 LEU A 80 37.048 28.669 39.851 1.00 0.00 H new ATOM 0 HD22 LEU A 80 37.910 27.840 38.533 1.00 0.00 H new ATOM 0 HD23 LEU A 80 36.337 28.612 38.221 1.00 0.00 H new ATOM 1240 N LEU A 81 36.630 27.251 35.217 1.00 0.00 N ATOM 1241 CA LEU A 81 37.328 27.194 33.937 1.00 0.00 C ATOM 1242 C LEU A 81 38.736 26.634 34.108 1.00 0.00 C ATOM 1243 O LEU A 81 39.307 26.646 35.199 1.00 0.00 O ATOM 1244 CB LEU A 81 37.394 28.587 33.307 1.00 0.00 C ATOM 1245 CG LEU A 81 36.156 29.030 32.526 1.00 0.00 C ATOM 1246 CD1 LEU A 81 36.286 30.484 32.099 1.00 0.00 C ATOM 1247 CD2 LEU A 81 35.941 28.134 31.315 1.00 0.00 C ATOM 0 H LEU A 81 36.832 28.083 35.771 1.00 0.00 H new ATOM 0 HA LEU A 81 36.771 26.529 33.277 1.00 0.00 H new ATOM 0 HB2 LEU A 81 37.579 29.313 34.098 1.00 0.00 H new ATOM 0 HB3 LEU A 81 38.253 28.620 32.637 1.00 0.00 H new ATOM 0 HG LEU A 81 35.287 28.941 33.178 1.00 0.00 H new ATOM 0 HD11 LEU A 81 35.396 30.781 31.545 1.00 0.00 H new ATOM 0 HD12 LEU A 81 36.391 31.114 32.982 1.00 0.00 H new ATOM 0 HD13 LEU A 81 37.164 30.600 31.464 1.00 0.00 H new ATOM 0 HD21 LEU A 81 35.056 28.464 30.771 1.00 0.00 H new ATOM 0 HD22 LEU A 81 36.811 28.191 30.661 1.00 0.00 H new ATOM 0 HD23 LEU A 81 35.802 27.104 31.644 1.00 0.00 H new ATOM 1259 N PRO A 82 39.312 26.133 33.005 1.00 0.00 N ATOM 1260 CA PRO A 82 40.662 25.562 33.008 1.00 0.00 C ATOM 1261 C PRO A 82 41.740 26.622 33.208 1.00 0.00 C ATOM 1262 O PRO A 82 41.529 27.798 32.913 1.00 0.00 O ATOM 1263 CB PRO A 82 40.783 24.932 31.618 1.00 0.00 C ATOM 1264 CG PRO A 82 39.830 25.701 30.769 1.00 0.00 C ATOM 1265 CD PRO A 82 38.691 26.086 31.671 1.00 0.00 C ATOM 0 HA PRO A 82 40.804 24.855 33.826 1.00 0.00 H new ATOM 0 HB2 PRO A 82 41.802 25.006 31.237 1.00 0.00 H new ATOM 0 HB3 PRO A 82 40.528 23.873 31.640 1.00 0.00 H new ATOM 0 HG2 PRO A 82 40.309 26.584 30.346 1.00 0.00 H new ATOM 0 HG3 PRO A 82 39.478 25.098 29.932 1.00 0.00 H new ATOM 0 HD2 PRO A 82 38.266 27.050 31.392 1.00 0.00 H new ATOM 0 HD3 PRO A 82 37.882 25.357 31.630 1.00 0.00 H new