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 -172:sc= -0.195 (180deg=-0.00171) USER MOD Set 1.2: A 46 TYR OH : rot 180:sc= -0.177 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.0051) USER MOD Single : A 24 CYS SG : rot -15:sc= 0.101 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= -0.0618 (180deg=-0.371) USER MOD Single : A 55 THR OG1 : rot 53:sc= 1.11 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 271 N CYS A 19 28.989 32.017 28.230 1.00 0.00 N ATOM 272 CA CYS A 19 29.541 33.271 28.728 1.00 0.00 C ATOM 273 C CYS A 19 30.356 33.041 29.996 1.00 0.00 C ATOM 274 O CYS A 19 29.881 32.417 30.945 1.00 0.00 O ATOM 275 CB CYS A 19 28.419 34.273 29.002 1.00 0.00 C ATOM 276 SG CYS A 19 27.818 35.131 27.528 1.00 0.00 S ATOM 0 HA CYS A 19 30.202 33.678 27.963 1.00 0.00 H new ATOM 0 HB2 CYS A 19 27.585 33.749 29.470 1.00 0.00 H new ATOM 0 HB3 CYS A 19 28.774 35.012 29.720 1.00 0.00 H new ATOM 0 HG CYS A 19 26.869 35.955 27.862 1.00 0.00 H new ATOM 282 N GLN A 20 31.584 33.548 30.004 1.00 0.00 N ATOM 283 CA GLN A 20 32.466 33.395 31.156 1.00 0.00 C ATOM 284 C GLN A 20 32.970 34.751 31.639 1.00 0.00 C ATOM 285 O GLN A 20 32.859 35.753 30.935 1.00 0.00 O ATOM 286 CB GLN A 20 33.650 32.494 30.803 1.00 0.00 C ATOM 287 CG GLN A 20 34.658 33.150 29.873 1.00 0.00 C ATOM 288 CD GLN A 20 35.084 32.241 28.738 1.00 0.00 C ATOM 289 OE1 GLN A 20 36.272 31.977 28.551 1.00 0.00 O ATOM 290 NE2 GLN A 20 34.114 31.755 27.972 1.00 0.00 N ATOM 0 H GLN A 20 31.991 34.068 29.227 1.00 0.00 H new ATOM 0 HA GLN A 20 31.894 32.932 31.960 1.00 0.00 H new ATOM 0 HB2 GLN A 20 34.156 32.196 31.722 1.00 0.00 H new ATOM 0 HB3 GLN A 20 33.276 31.583 30.335 1.00 0.00 H new ATOM 0 HG2 GLN A 20 34.226 34.062 29.460 1.00 0.00 H new ATOM 0 HG3 GLN A 20 35.537 33.445 30.446 1.00 0.00 H new ATOM 0 HE21 GLN A 20 33.142 32.000 28.163 1.00 0.00 H new ATOM 0 HE22 GLN A 20 34.341 31.137 27.193 1.00 0.00 H new ATOM 299 N GLY A 21 33.525 34.774 32.848 1.00 0.00 N ATOM 300 CA GLY A 21 34.037 36.013 33.405 1.00 0.00 C ATOM 301 C GLY A 21 34.943 35.780 34.597 1.00 0.00 C ATOM 302 O GLY A 21 35.775 34.873 34.587 1.00 0.00 O ATOM 0 H GLY A 21 33.629 33.958 33.451 1.00 0.00 H new ATOM 0 HA2 GLY A 21 34.586 36.555 32.635 1.00 0.00 H new ATOM 0 HA3 GLY A 21 33.202 36.646 33.705 1.00 0.00 H new ATOM 306 N VAL A 22 34.784 36.603 35.629 1.00 0.00 N ATOM 307 CA VAL A 22 35.595 36.484 36.835 1.00 0.00 C ATOM 308 C VAL A 22 34.779 36.811 38.080 1.00 0.00 C ATOM 309 O VAL A 22 34.078 37.821 38.129 1.00 0.00 O ATOM 310 CB VAL A 22 36.822 37.413 36.780 1.00 0.00 C ATOM 311 CG1 VAL A 22 37.675 37.246 38.029 1.00 0.00 C ATOM 312 CG2 VAL A 22 37.640 37.142 35.526 1.00 0.00 C ATOM 0 H VAL A 22 34.101 37.360 35.654 1.00 0.00 H new ATOM 0 HA VAL A 22 35.934 35.449 36.888 1.00 0.00 H new ATOM 0 HB VAL A 22 36.473 38.445 36.743 1.00 0.00 H new ATOM 0 HG11 VAL A 22 38.537 37.910 37.972 1.00 0.00 H new ATOM 0 HG12 VAL A 22 37.083 37.494 38.910 1.00 0.00 H new ATOM 0 HG13 VAL A 22 38.017 36.213 38.101 1.00 0.00 H new ATOM 0 HG21 VAL A 22 38.503 37.807 35.504 1.00 0.00 H new ATOM 0 HG22 VAL A 22 37.980 36.106 35.530 1.00 0.00 H new ATOM 0 HG23 VAL A 22 37.024 37.318 34.644 1.00 0.00 H new ATOM 322 N VAL A 23 34.875 35.948 39.087 1.00 0.00 N ATOM 323 CA VAL A 23 34.147 36.145 40.335 1.00 0.00 C ATOM 324 C VAL A 23 34.532 37.465 40.993 1.00 0.00 C ATOM 325 O VAL A 23 35.588 37.574 41.619 1.00 0.00 O ATOM 326 CB VAL A 23 34.409 34.995 41.326 1.00 0.00 C ATOM 327 CG1 VAL A 23 33.500 35.117 42.539 1.00 0.00 C ATOM 328 CG2 VAL A 23 34.220 33.650 40.641 1.00 0.00 C ATOM 0 H VAL A 23 35.450 35.106 39.063 1.00 0.00 H new ATOM 0 HA VAL A 23 33.087 36.163 40.083 1.00 0.00 H new ATOM 0 HB VAL A 23 35.442 35.062 41.669 1.00 0.00 H new ATOM 0 HG11 VAL A 23 33.700 34.296 43.227 1.00 0.00 H new ATOM 0 HG12 VAL A 23 33.689 36.066 43.041 1.00 0.00 H new ATOM 0 HG13 VAL A 23 32.459 35.077 42.219 1.00 0.00 H new ATOM 0 HG21 VAL A 23 34.409 32.848 41.355 1.00 0.00 H new ATOM 0 HG22 VAL A 23 33.198 33.571 40.269 1.00 0.00 H new ATOM 0 HG23 VAL A 23 34.917 33.565 39.807 1.00 0.00 H new ATOM 338 N CYS A 24 33.670 38.466 40.849 1.00 0.00 N ATOM 339 CA CYS A 24 33.920 39.780 41.430 1.00 0.00 C ATOM 340 C CYS A 24 33.352 39.867 42.842 1.00 0.00 C ATOM 341 O CYS A 24 33.885 40.579 43.693 1.00 0.00 O ATOM 342 CB CYS A 24 33.307 40.873 40.552 1.00 0.00 C ATOM 343 SG CYS A 24 33.438 42.537 41.247 1.00 0.00 S ATOM 0 H CYS A 24 32.792 38.392 40.335 1.00 0.00 H new ATOM 0 HA CYS A 24 34.999 39.928 41.482 1.00 0.00 H new ATOM 0 HB2 CYS A 24 33.795 40.858 39.578 1.00 0.00 H new ATOM 0 HB3 CYS A 24 32.255 40.642 40.385 1.00 0.00 H new ATOM 0 HG CYS A 24 33.755 42.458 42.505 1.00 0.00 H new ATOM 349 N ALA A 25 32.267 39.140 43.084 1.00 0.00 N ATOM 350 CA ALA A 25 31.627 39.135 44.394 1.00 0.00 C ATOM 351 C ALA A 25 31.997 37.882 45.181 1.00 0.00 C ATOM 352 O ALA A 25 31.878 36.765 44.679 1.00 0.00 O ATOM 353 CB ALA A 25 30.116 39.238 44.244 1.00 0.00 C ATOM 0 H ALA A 25 31.812 38.547 42.390 1.00 0.00 H new ATOM 0 HA ALA A 25 31.986 40.001 44.949 1.00 0.00 H new ATOM 0 HB1 ALA A 25 29.651 39.233 45.230 1.00 0.00 H new ATOM 0 HB2 ALA A 25 29.864 40.165 43.729 1.00 0.00 H new ATOM 0 HB3 ALA A 25 29.749 38.390 43.666 1.00 0.00 H new ATOM 359 N MET A 26 32.447 38.077 46.416 1.00 0.00 N ATOM 360 CA MET A 26 32.834 36.961 47.273 1.00 0.00 C ATOM 361 C MET A 26 31.934 36.882 48.502 1.00 0.00 C ATOM 362 O MET A 26 31.987 37.743 49.380 1.00 0.00 O ATOM 363 CB MET A 26 34.295 37.105 47.704 1.00 0.00 C ATOM 364 CG MET A 26 35.243 36.182 46.957 1.00 0.00 C ATOM 365 SD MET A 26 35.836 34.820 47.979 1.00 0.00 S ATOM 366 CE MET A 26 34.936 33.445 47.268 1.00 0.00 C ATOM 0 H MET A 26 32.553 38.996 46.846 1.00 0.00 H new ATOM 0 HA MET A 26 32.720 36.040 46.702 1.00 0.00 H new ATOM 0 HB2 MET A 26 34.610 38.137 47.551 1.00 0.00 H new ATOM 0 HB3 MET A 26 34.372 36.903 48.772 1.00 0.00 H new ATOM 0 HG2 MET A 26 34.736 35.779 46.080 1.00 0.00 H new ATOM 0 HG3 MET A 26 36.095 36.758 46.596 1.00 0.00 H new ATOM 0 HE1 MET A 26 35.086 32.556 47.881 1.00 0.00 H new ATOM 0 HE2 MET A 26 33.874 33.686 47.231 1.00 0.00 H new ATOM 0 HE3 MET A 26 35.300 33.255 46.258 1.00 0.00 H new ATOM 376 N LYS A 27 31.108 35.843 48.558 1.00 0.00 N ATOM 377 CA LYS A 27 30.196 35.649 49.679 1.00 0.00 C ATOM 378 C LYS A 27 30.097 34.173 50.051 1.00 0.00 C ATOM 379 O LYS A 27 30.585 33.307 49.326 1.00 0.00 O ATOM 380 CB LYS A 27 28.808 36.194 49.335 1.00 0.00 C ATOM 381 CG LYS A 27 28.314 37.255 50.303 1.00 0.00 C ATOM 382 CD LYS A 27 26.799 37.373 50.275 1.00 0.00 C ATOM 383 CE LYS A 27 26.229 37.556 51.673 1.00 0.00 C ATOM 384 NZ LYS A 27 25.950 36.251 52.333 1.00 0.00 N ATOM 0 H LYS A 27 31.051 35.121 47.839 1.00 0.00 H new ATOM 0 HA LYS A 27 30.592 36.195 50.535 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.831 36.614 48.329 1.00 0.00 H new ATOM 0 HB3 LYS A 27 28.096 35.369 49.320 1.00 0.00 H new ATOM 0 HG2 LYS A 27 28.642 37.009 51.313 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.760 38.217 50.049 1.00 0.00 H new ATOM 0 HD2 LYS A 27 26.510 38.218 49.650 1.00 0.00 H new ATOM 0 HD3 LYS A 27 26.372 36.479 49.821 1.00 0.00 H new ATOM 0 HE2 LYS A 27 26.932 38.127 52.280 1.00 0.00 H new ATOM 0 HE3 LYS A 27 25.309 38.139 51.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 25.563 36.418 53.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 25.260 35.716 51.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 26.832 35.705 52.410 1.00 0.00 H new ATOM 398 N GLU A 28 29.461 33.894 51.185 1.00 0.00 N ATOM 399 CA GLU A 28 29.297 32.522 51.651 1.00 0.00 C ATOM 400 C GLU A 28 27.890 32.012 51.358 1.00 0.00 C ATOM 401 O GLU A 28 27.297 31.297 52.165 1.00 0.00 O ATOM 402 CB GLU A 28 29.582 32.433 53.152 1.00 0.00 C ATOM 403 CG GLU A 28 30.246 31.132 53.569 1.00 0.00 C ATOM 404 CD GLU A 28 30.945 31.237 54.910 1.00 0.00 C ATOM 405 OE1 GLU A 28 31.795 32.138 55.068 1.00 0.00 O ATOM 406 OE2 GLU A 28 30.641 30.418 55.803 1.00 0.00 O ATOM 0 H GLU A 28 29.051 34.599 51.797 1.00 0.00 H new ATOM 0 HA GLU A 28 30.010 31.895 51.115 1.00 0.00 H new ATOM 0 HB2 GLU A 28 30.221 33.267 53.442 1.00 0.00 H new ATOM 0 HB3 GLU A 28 28.645 32.545 53.698 1.00 0.00 H new ATOM 0 HG2 GLU A 28 29.495 30.344 53.616 1.00 0.00 H new ATOM 0 HG3 GLU A 28 30.969 30.838 52.809 1.00 0.00 H new ATOM 413 N ALA A 29 27.361 32.386 50.197 1.00 0.00 N ATOM 414 CA ALA A 29 26.024 31.966 49.796 1.00 0.00 C ATOM 415 C ALA A 29 25.811 32.166 48.300 1.00 0.00 C ATOM 416 O ALA A 29 25.269 31.296 47.618 1.00 0.00 O ATOM 417 CB ALA A 29 24.971 32.728 50.588 1.00 0.00 C ATOM 0 H ALA A 29 27.838 32.979 49.518 1.00 0.00 H new ATOM 0 HA ALA A 29 25.925 30.902 50.011 1.00 0.00 H new ATOM 0 HB1 ALA A 29 23.977 32.404 50.278 1.00 0.00 H new ATOM 0 HB2 ALA A 29 25.102 32.530 51.652 1.00 0.00 H new ATOM 0 HB3 ALA A 29 25.079 33.797 50.402 1.00 0.00 H new ATOM 423 N PHE A 30 26.241 33.318 47.795 1.00 0.00 N ATOM 424 CA PHE A 30 26.096 33.633 46.378 1.00 0.00 C ATOM 425 C PHE A 30 27.151 34.643 45.935 1.00 0.00 C ATOM 426 O PHE A 30 27.864 35.213 46.759 1.00 0.00 O ATOM 427 CB PHE A 30 24.697 34.184 46.097 1.00 0.00 C ATOM 428 CG PHE A 30 24.265 35.247 47.067 1.00 0.00 C ATOM 429 CD1 PHE A 30 24.917 36.468 47.112 1.00 0.00 C ATOM 430 CD2 PHE A 30 23.206 35.024 47.933 1.00 0.00 C ATOM 431 CE1 PHE A 30 24.522 37.447 48.003 1.00 0.00 C ATOM 432 CE2 PHE A 30 22.807 36.000 48.827 1.00 0.00 C ATOM 433 CZ PHE A 30 23.465 37.214 48.861 1.00 0.00 C ATOM 0 H PHE A 30 26.692 34.048 48.345 1.00 0.00 H new ATOM 0 HA PHE A 30 26.237 32.713 45.810 1.00 0.00 H new ATOM 0 HB2 PHE A 30 24.673 34.593 45.087 1.00 0.00 H new ATOM 0 HB3 PHE A 30 23.980 33.364 46.126 1.00 0.00 H new ATOM 0 HD1 PHE A 30 25.744 36.657 46.443 1.00 0.00 H new ATOM 0 HD2 PHE A 30 22.687 34.077 47.909 1.00 0.00 H new ATOM 0 HE1 PHE A 30 25.040 38.395 48.029 1.00 0.00 H new ATOM 0 HE2 PHE A 30 21.982 35.813 49.498 1.00 0.00 H new ATOM 0 HZ PHE A 30 23.154 37.979 49.557 1.00 0.00 H new ATOM 443 N GLY A 31 27.243 34.858 44.626 1.00 0.00 N ATOM 444 CA GLY A 31 28.213 35.797 44.095 1.00 0.00 C ATOM 445 C GLY A 31 27.897 36.214 42.672 1.00 0.00 C ATOM 446 O GLY A 31 26.897 35.783 42.098 1.00 0.00 O ATOM 0 H GLY A 31 26.663 34.398 43.924 1.00 0.00 H new ATOM 0 HA2 GLY A 31 28.244 36.682 44.731 1.00 0.00 H new ATOM 0 HA3 GLY A 31 29.205 35.347 44.127 1.00 0.00 H new ATOM 450 N PHE A 32 28.751 37.057 42.101 1.00 0.00 N ATOM 451 CA PHE A 32 28.557 37.535 40.737 1.00 0.00 C ATOM 452 C PHE A 32 29.778 37.229 39.875 1.00 0.00 C ATOM 453 O PHE A 32 30.802 36.762 40.374 1.00 0.00 O ATOM 454 CB PHE A 32 28.281 39.040 40.736 1.00 0.00 C ATOM 455 CG PHE A 32 26.921 39.401 41.261 1.00 0.00 C ATOM 456 CD1 PHE A 32 26.601 39.192 42.593 1.00 0.00 C ATOM 457 CD2 PHE A 32 25.964 39.950 40.424 1.00 0.00 C ATOM 458 CE1 PHE A 32 25.350 39.523 43.079 1.00 0.00 C ATOM 459 CE2 PHE A 32 24.711 40.283 40.904 1.00 0.00 C ATOM 460 CZ PHE A 32 24.404 40.070 42.234 1.00 0.00 C ATOM 0 H PHE A 32 29.584 37.423 42.562 1.00 0.00 H new ATOM 0 HA PHE A 32 27.697 37.015 40.315 1.00 0.00 H new ATOM 0 HB2 PHE A 32 29.039 39.541 41.339 1.00 0.00 H new ATOM 0 HB3 PHE A 32 28.381 39.419 39.719 1.00 0.00 H new ATOM 0 HD1 PHE A 32 27.337 38.766 43.259 1.00 0.00 H new ATOM 0 HD2 PHE A 32 26.199 40.120 39.384 1.00 0.00 H new ATOM 0 HE1 PHE A 32 25.112 39.354 44.119 1.00 0.00 H new ATOM 0 HE2 PHE A 32 23.973 40.709 40.240 1.00 0.00 H new ATOM 0 HZ PHE A 32 23.427 40.331 42.612 1.00 0.00 H new ATOM 470 N ILE A 33 29.661 37.496 38.578 1.00 0.00 N ATOM 471 CA ILE A 33 30.755 37.250 37.647 1.00 0.00 C ATOM 472 C ILE A 33 30.905 38.402 36.659 1.00 0.00 C ATOM 473 O ILE A 33 29.980 38.714 35.910 1.00 0.00 O ATOM 474 CB ILE A 33 30.543 35.941 36.863 1.00 0.00 C ATOM 475 CG1 ILE A 33 30.192 34.800 37.820 1.00 0.00 C ATOM 476 CG2 ILE A 33 31.788 35.599 36.057 1.00 0.00 C ATOM 477 CD1 ILE A 33 29.894 33.493 37.118 1.00 0.00 C ATOM 0 H ILE A 33 28.820 37.882 38.149 1.00 0.00 H new ATOM 0 HA ILE A 33 31.664 37.164 38.243 1.00 0.00 H new ATOM 0 HB ILE A 33 29.712 36.079 36.171 1.00 0.00 H new ATOM 0 HG12 ILE A 33 31.020 34.650 38.513 1.00 0.00 H new ATOM 0 HG13 ILE A 33 29.326 35.089 38.415 1.00 0.00 H new ATOM 0 HG21 ILE A 33 31.623 34.672 35.508 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.998 36.404 35.353 1.00 0.00 H new ATOM 0 HG23 ILE A 33 32.635 35.476 36.731 1.00 0.00 H new ATOM 0 HD11 ILE A 33 29.653 32.729 37.858 1.00 0.00 H new ATOM 0 HD12 ILE A 33 29.047 33.626 36.445 1.00 0.00 H new ATOM 0 HD13 ILE A 33 30.767 33.181 36.545 1.00 0.00 H new ATOM 489 N GLU A 34 32.077 39.029 36.663 1.00 0.00 N ATOM 490 CA GLU A 34 32.348 40.146 35.766 1.00 0.00 C ATOM 491 C GLU A 34 32.410 39.676 34.315 1.00 0.00 C ATOM 492 O GLU A 34 33.425 39.143 33.867 1.00 0.00 O ATOM 493 CB GLU A 34 33.663 40.829 36.148 1.00 0.00 C ATOM 494 CG GLU A 34 33.486 42.000 37.100 1.00 0.00 C ATOM 495 CD GLU A 34 33.376 43.328 36.376 1.00 0.00 C ATOM 496 OE1 GLU A 34 32.269 43.658 35.904 1.00 0.00 O ATOM 497 OE2 GLU A 34 34.400 44.038 36.284 1.00 0.00 O ATOM 0 H GLU A 34 32.853 38.783 37.277 1.00 0.00 H new ATOM 0 HA GLU A 34 31.533 40.863 35.864 1.00 0.00 H new ATOM 0 HB2 GLU A 34 34.324 40.094 36.608 1.00 0.00 H new ATOM 0 HB3 GLU A 34 34.157 41.180 35.242 1.00 0.00 H new ATOM 0 HG2 GLU A 34 32.590 41.843 37.701 1.00 0.00 H new ATOM 0 HG3 GLU A 34 34.330 42.035 37.789 1.00 0.00 H new ATOM 601 N GLU A 41 25.645 41.484 33.575 1.00 0.00 N ATOM 602 CA GLU A 41 26.006 40.703 34.752 1.00 0.00 C ATOM 603 C GLU A 41 24.923 39.678 35.078 1.00 0.00 C ATOM 604 O GLU A 41 23.803 39.761 34.573 1.00 0.00 O ATOM 605 CB GLU A 41 26.231 41.624 35.953 1.00 0.00 C ATOM 606 CG GLU A 41 27.502 42.451 35.856 1.00 0.00 C ATOM 607 CD GLU A 41 27.254 43.836 35.289 1.00 0.00 C ATOM 608 OE1 GLU A 41 26.204 44.034 34.643 1.00 0.00 O ATOM 609 OE2 GLU A 41 28.112 44.721 35.491 1.00 0.00 O ATOM 0 HA GLU A 41 26.932 40.170 34.534 1.00 0.00 H new ATOM 0 HB2 GLU A 41 25.378 42.295 36.051 1.00 0.00 H new ATOM 0 HB3 GLU A 41 26.268 41.021 36.860 1.00 0.00 H new ATOM 0 HG2 GLU A 41 27.948 42.542 36.846 1.00 0.00 H new ATOM 0 HG3 GLU A 41 28.224 41.929 35.228 1.00 0.00 H new ATOM 616 N ILE A 42 25.266 38.713 35.925 1.00 0.00 N ATOM 617 CA ILE A 42 24.324 37.673 36.319 1.00 0.00 C ATOM 618 C ILE A 42 24.514 37.285 37.781 1.00 0.00 C ATOM 619 O ILE A 42 25.516 37.638 38.403 1.00 0.00 O ATOM 620 CB ILE A 42 24.474 36.416 35.442 1.00 0.00 C ATOM 621 CG1 ILE A 42 25.659 35.573 35.919 1.00 0.00 C ATOM 622 CG2 ILE A 42 24.649 36.806 33.982 1.00 0.00 C ATOM 623 CD1 ILE A 42 26.972 36.324 35.923 1.00 0.00 C ATOM 0 H ILE A 42 26.189 38.630 36.351 1.00 0.00 H new ATOM 0 HA ILE A 42 23.324 38.084 36.182 1.00 0.00 H new ATOM 0 HB ILE A 42 23.567 35.818 35.532 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.454 35.210 36.926 1.00 0.00 H new ATOM 0 HG13 ILE A 42 25.753 34.697 35.277 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.754 35.907 33.375 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.777 37.369 33.649 1.00 0.00 H new ATOM 0 HG23 ILE A 42 25.542 37.422 33.874 1.00 0.00 H new ATOM 0 HD11 ILE A 42 27.767 35.665 36.272 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.200 36.664 34.913 1.00 0.00 H new ATOM 0 HD13 ILE A 42 26.897 37.185 36.587 1.00 0.00 H new ATOM 635 N PHE A 43 23.546 36.554 38.324 1.00 0.00 N ATOM 636 CA PHE A 43 23.607 36.116 39.714 1.00 0.00 C ATOM 637 C PHE A 43 23.575 34.593 39.806 1.00 0.00 C ATOM 638 O PHE A 43 22.594 33.956 39.421 1.00 0.00 O ATOM 639 CB PHE A 43 22.442 36.710 40.509 1.00 0.00 C ATOM 640 CG PHE A 43 22.325 36.159 41.901 1.00 0.00 C ATOM 641 CD1 PHE A 43 21.587 35.012 42.147 1.00 0.00 C ATOM 642 CD2 PHE A 43 22.951 36.789 42.965 1.00 0.00 C ATOM 643 CE1 PHE A 43 21.477 34.503 43.427 1.00 0.00 C ATOM 644 CE2 PHE A 43 22.845 36.284 44.247 1.00 0.00 C ATOM 645 CZ PHE A 43 22.106 35.140 44.478 1.00 0.00 C ATOM 0 H PHE A 43 22.710 36.252 37.823 1.00 0.00 H new ATOM 0 HA PHE A 43 24.546 36.469 40.139 1.00 0.00 H new ATOM 0 HB2 PHE A 43 22.564 37.792 40.564 1.00 0.00 H new ATOM 0 HB3 PHE A 43 21.512 36.521 39.972 1.00 0.00 H new ATOM 0 HD1 PHE A 43 21.092 34.510 41.329 1.00 0.00 H new ATOM 0 HD2 PHE A 43 23.528 37.685 42.790 1.00 0.00 H new ATOM 0 HE1 PHE A 43 20.900 33.608 43.605 1.00 0.00 H new ATOM 0 HE2 PHE A 43 23.339 36.783 45.067 1.00 0.00 H new ATOM 0 HZ PHE A 43 22.020 34.744 45.479 1.00 0.00 H new ATOM 655 N PHE A 44 24.657 34.015 40.318 1.00 0.00 N ATOM 656 CA PHE A 44 24.755 32.567 40.460 1.00 0.00 C ATOM 657 C PHE A 44 24.807 32.167 41.931 1.00 0.00 C ATOM 658 O PHE A 44 25.396 32.866 42.756 1.00 0.00 O ATOM 659 CB PHE A 44 25.997 32.045 39.733 1.00 0.00 C ATOM 660 CG PHE A 44 27.284 32.371 40.436 1.00 0.00 C ATOM 661 CD1 PHE A 44 27.898 33.599 40.250 1.00 0.00 C ATOM 662 CD2 PHE A 44 27.878 31.450 41.284 1.00 0.00 C ATOM 663 CE1 PHE A 44 29.083 33.901 40.895 1.00 0.00 C ATOM 664 CE2 PHE A 44 29.063 31.747 41.932 1.00 0.00 C ATOM 665 CZ PHE A 44 29.665 32.975 41.738 1.00 0.00 C ATOM 0 H PHE A 44 25.478 34.527 40.641 1.00 0.00 H new ATOM 0 HA PHE A 44 23.866 32.122 40.012 1.00 0.00 H new ATOM 0 HB2 PHE A 44 25.916 30.964 39.623 1.00 0.00 H new ATOM 0 HB3 PHE A 44 26.024 32.467 38.728 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.446 34.328 39.594 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.410 30.489 41.441 1.00 0.00 H new ATOM 0 HE1 PHE A 44 29.553 34.861 40.740 1.00 0.00 H new ATOM 0 HE2 PHE A 44 29.517 31.020 42.589 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.589 33.210 42.245 1.00 0.00 H new ATOM 675 N HIS A 45 24.186 31.037 42.253 1.00 0.00 N ATOM 676 CA HIS A 45 24.161 30.542 43.625 1.00 0.00 C ATOM 677 C HIS A 45 25.204 29.448 43.828 1.00 0.00 C ATOM 678 O HIS A 45 25.364 28.565 42.985 1.00 0.00 O ATOM 679 CB HIS A 45 22.771 30.008 43.972 1.00 0.00 C ATOM 680 CG HIS A 45 22.288 30.428 45.326 1.00 0.00 C ATOM 681 ND1 HIS A 45 22.626 29.762 46.485 1.00 0.00 N ATOM 682 CD2 HIS A 45 21.489 31.454 45.702 1.00 0.00 C ATOM 683 CE1 HIS A 45 22.055 30.360 47.516 1.00 0.00 C ATOM 684 NE2 HIS A 45 21.359 31.390 47.068 1.00 0.00 N ATOM 0 H HIS A 45 23.693 30.447 41.583 1.00 0.00 H new ATOM 0 HA HIS A 45 24.399 31.373 44.289 1.00 0.00 H new ATOM 0 HB2 HIS A 45 22.061 30.351 43.220 1.00 0.00 H new ATOM 0 HB3 HIS A 45 22.786 28.919 43.923 1.00 0.00 H new ATOM 0 HD2 HIS A 45 21.038 32.187 45.049 1.00 0.00 H new ATOM 0 HE1 HIS A 45 22.142 30.058 48.549 1.00 0.00 H new ATOM 0 HE2 HIS A 45 20.814 32.033 47.643 1.00 0.00 H new ATOM 692 N TYR A 46 25.913 29.513 44.949 1.00 0.00 N ATOM 693 CA TYR A 46 26.944 28.530 45.261 1.00 0.00 C ATOM 694 C TYR A 46 26.396 27.111 45.144 1.00 0.00 C ATOM 695 O TYR A 46 27.105 26.192 44.734 1.00 0.00 O ATOM 696 CB TYR A 46 27.491 28.763 46.670 1.00 0.00 C ATOM 697 CG TYR A 46 28.699 29.672 46.707 1.00 0.00 C ATOM 698 CD1 TYR A 46 28.555 31.054 46.692 1.00 0.00 C ATOM 699 CD2 TYR A 46 29.985 29.148 46.759 1.00 0.00 C ATOM 700 CE1 TYR A 46 29.656 31.888 46.725 1.00 0.00 C ATOM 701 CE2 TYR A 46 31.092 29.975 46.795 1.00 0.00 C ATOM 702 CZ TYR A 46 30.922 31.343 46.777 1.00 0.00 C ATOM 703 OH TYR A 46 32.021 32.171 46.811 1.00 0.00 O ATOM 0 H TYR A 46 25.793 30.237 45.658 1.00 0.00 H new ATOM 0 HA TYR A 46 27.753 28.648 44.541 1.00 0.00 H new ATOM 0 HB2 TYR A 46 26.704 29.193 47.290 1.00 0.00 H new ATOM 0 HB3 TYR A 46 27.756 27.802 47.112 1.00 0.00 H new ATOM 0 HD1 TYR A 46 27.565 31.484 46.654 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.122 28.077 46.771 1.00 0.00 H new ATOM 0 HE1 TYR A 46 29.526 32.960 46.710 1.00 0.00 H new ATOM 0 HE2 TYR A 46 32.085 29.552 46.837 1.00 0.00 H new ATOM 0 HH TYR A 46 32.837 31.630 46.847 1.00 0.00 H new ATOM 713 N SER A 47 25.129 26.941 45.507 1.00 0.00 N ATOM 714 CA SER A 47 24.485 25.634 45.447 1.00 0.00 C ATOM 715 C SER A 47 24.603 25.034 44.050 1.00 0.00 C ATOM 716 O SER A 47 24.622 23.815 43.886 1.00 0.00 O ATOM 717 CB SER A 47 23.011 25.750 45.842 1.00 0.00 C ATOM 718 OG SER A 47 22.580 24.599 46.547 1.00 0.00 O ATOM 0 H SER A 47 24.528 27.692 45.846 1.00 0.00 H new ATOM 0 HA SER A 47 24.992 24.974 46.151 1.00 0.00 H new ATOM 0 HB2 SER A 47 22.866 26.635 46.461 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.401 25.883 44.948 1.00 0.00 H new ATOM 0 HG SER A 47 21.636 24.698 46.790 1.00 0.00 H new ATOM 724 N GLU A 48 24.682 25.901 43.045 1.00 0.00 N ATOM 725 CA GLU A 48 24.798 25.457 41.661 1.00 0.00 C ATOM 726 C GLU A 48 26.263 25.338 41.248 1.00 0.00 C ATOM 727 O GLU A 48 26.607 24.563 40.356 1.00 0.00 O ATOM 728 CB GLU A 48 24.071 26.427 40.728 1.00 0.00 C ATOM 729 CG GLU A 48 22.686 25.955 40.318 1.00 0.00 C ATOM 730 CD GLU A 48 21.666 26.105 41.430 1.00 0.00 C ATOM 731 OE1 GLU A 48 21.246 27.250 41.698 1.00 0.00 O ATOM 732 OE2 GLU A 48 21.288 25.078 42.031 1.00 0.00 O ATOM 0 H GLU A 48 24.668 26.914 43.163 1.00 0.00 H new ATOM 0 HA GLU A 48 24.335 24.473 41.582 1.00 0.00 H new ATOM 0 HB2 GLU A 48 23.984 27.396 41.221 1.00 0.00 H new ATOM 0 HB3 GLU A 48 24.674 26.577 39.833 1.00 0.00 H new ATOM 0 HG2 GLU A 48 22.356 26.522 39.448 1.00 0.00 H new ATOM 0 HG3 GLU A 48 22.737 24.909 40.016 1.00 0.00 H new ATOM 739 N PHE A 49 27.120 26.114 41.903 1.00 0.00 N ATOM 740 CA PHE A 49 28.547 26.098 41.604 1.00 0.00 C ATOM 741 C PHE A 49 29.095 24.674 41.639 1.00 0.00 C ATOM 742 O PHE A 49 28.893 23.942 42.609 1.00 0.00 O ATOM 743 CB PHE A 49 29.309 26.974 42.601 1.00 0.00 C ATOM 744 CG PHE A 49 30.801 26.906 42.441 1.00 0.00 C ATOM 745 CD1 PHE A 49 31.408 27.360 41.282 1.00 0.00 C ATOM 746 CD2 PHE A 49 31.596 26.388 43.451 1.00 0.00 C ATOM 747 CE1 PHE A 49 32.780 27.300 41.131 1.00 0.00 C ATOM 748 CE2 PHE A 49 32.969 26.325 43.306 1.00 0.00 C ATOM 749 CZ PHE A 49 33.562 26.781 42.145 1.00 0.00 C ATOM 0 H PHE A 49 26.851 26.761 42.644 1.00 0.00 H new ATOM 0 HA PHE A 49 28.686 26.497 40.599 1.00 0.00 H new ATOM 0 HB2 PHE A 49 28.986 28.008 42.484 1.00 0.00 H new ATOM 0 HB3 PHE A 49 29.046 26.670 43.614 1.00 0.00 H new ATOM 0 HD1 PHE A 49 30.801 27.766 40.486 1.00 0.00 H new ATOM 0 HD2 PHE A 49 31.138 26.030 44.361 1.00 0.00 H new ATOM 0 HE1 PHE A 49 33.240 27.658 40.222 1.00 0.00 H new ATOM 0 HE2 PHE A 49 33.578 25.919 44.100 1.00 0.00 H new ATOM 0 HZ PHE A 49 34.635 26.732 42.030 1.00 0.00 H new ATOM 759 N LYS A 50 29.788 24.287 40.574 1.00 0.00 N ATOM 760 CA LYS A 50 30.366 22.951 40.481 1.00 0.00 C ATOM 761 C LYS A 50 31.889 23.020 40.428 1.00 0.00 C ATOM 762 O LYS A 50 32.487 22.927 39.357 1.00 0.00 O ATOM 763 CB LYS A 50 29.834 22.228 39.242 1.00 0.00 C ATOM 764 CG LYS A 50 28.329 22.342 39.070 1.00 0.00 C ATOM 765 CD LYS A 50 27.586 21.714 40.238 1.00 0.00 C ATOM 766 CE LYS A 50 27.861 20.222 40.336 1.00 0.00 C ATOM 767 NZ LYS A 50 27.541 19.514 39.065 1.00 0.00 N ATOM 0 H LYS A 50 29.963 24.880 39.762 1.00 0.00 H new ATOM 0 HA LYS A 50 30.076 22.394 41.372 1.00 0.00 H new ATOM 0 HB2 LYS A 50 30.324 22.633 38.357 1.00 0.00 H new ATOM 0 HB3 LYS A 50 30.106 21.174 39.302 1.00 0.00 H new ATOM 0 HG2 LYS A 50 28.050 23.392 38.982 1.00 0.00 H new ATOM 0 HG3 LYS A 50 28.030 21.854 38.142 1.00 0.00 H new ATOM 0 HD2 LYS A 50 27.885 22.202 41.166 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.515 21.881 40.121 1.00 0.00 H new ATOM 0 HE2 LYS A 50 28.910 20.062 40.587 1.00 0.00 H new ATOM 0 HE3 LYS A 50 27.270 19.796 41.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 27.512 18.489 39.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 26.615 19.833 38.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 28.272 19.726 38.356 1.00 0.00 H new ATOM 781 N GLY A 51 32.511 23.182 41.592 1.00 0.00 N ATOM 782 CA GLY A 51 33.959 23.259 41.655 1.00 0.00 C ATOM 783 C GLY A 51 34.491 23.031 43.056 1.00 0.00 C ATOM 784 O GLY A 51 33.929 22.246 43.820 1.00 0.00 O ATOM 0 H GLY A 51 32.038 23.261 42.492 1.00 0.00 H new ATOM 0 HA2 GLY A 51 34.389 22.518 40.981 1.00 0.00 H new ATOM 0 HA3 GLY A 51 34.284 24.238 41.301 1.00 0.00 H new ATOM 788 N ASP A 52 35.578 23.716 43.393 1.00 0.00 N ATOM 789 CA ASP A 52 36.187 23.584 44.712 1.00 0.00 C ATOM 790 C ASP A 52 35.819 24.767 45.602 1.00 0.00 C ATOM 791 O ASP A 52 36.482 25.805 45.579 1.00 0.00 O ATOM 792 CB ASP A 52 37.707 23.477 44.586 1.00 0.00 C ATOM 793 CG ASP A 52 38.133 22.424 43.582 1.00 0.00 C ATOM 794 OD1 ASP A 52 38.008 22.679 42.367 1.00 0.00 O ATOM 795 OD2 ASP A 52 38.591 21.344 44.012 1.00 0.00 O ATOM 0 H ASP A 52 36.056 24.368 42.771 1.00 0.00 H new ATOM 0 HA ASP A 52 35.803 22.674 45.173 1.00 0.00 H new ATOM 0 HB2 ASP A 52 38.113 24.444 44.288 1.00 0.00 H new ATOM 0 HB3 ASP A 52 38.133 23.239 45.560 1.00 0.00 H new ATOM 800 N LEU A 53 34.758 24.604 46.384 1.00 0.00 N ATOM 801 CA LEU A 53 34.301 25.660 47.282 1.00 0.00 C ATOM 802 C LEU A 53 35.311 25.901 48.399 1.00 0.00 C ATOM 803 O LEU A 53 35.256 26.918 49.089 1.00 0.00 O ATOM 804 CB LEU A 53 32.941 25.294 47.880 1.00 0.00 C ATOM 805 CG LEU A 53 31.788 26.245 47.556 1.00 0.00 C ATOM 806 CD1 LEU A 53 30.632 25.486 46.923 1.00 0.00 C ATOM 807 CD2 LEU A 53 31.327 26.972 48.811 1.00 0.00 C ATOM 0 H LEU A 53 34.198 23.752 46.415 1.00 0.00 H new ATOM 0 HA LEU A 53 34.202 26.578 46.703 1.00 0.00 H new ATOM 0 HB2 LEU A 53 32.671 24.296 47.534 1.00 0.00 H new ATOM 0 HB3 LEU A 53 33.046 25.238 48.963 1.00 0.00 H new ATOM 0 HG LEU A 53 32.144 26.986 46.841 1.00 0.00 H new ATOM 0 HD11 LEU A 53 29.821 26.179 46.699 1.00 0.00 H new ATOM 0 HD12 LEU A 53 30.969 25.012 46.001 1.00 0.00 H new ATOM 0 HD13 LEU A 53 30.276 24.722 47.614 1.00 0.00 H new ATOM 0 HD21 LEU A 53 30.506 27.644 48.561 1.00 0.00 H new ATOM 0 HD22 LEU A 53 30.989 26.245 49.549 1.00 0.00 H new ATOM 0 HD23 LEU A 53 32.156 27.548 49.223 1.00 0.00 H new ATOM 819 N GLU A 54 36.235 24.959 48.568 1.00 0.00 N ATOM 820 CA GLU A 54 37.259 25.071 49.600 1.00 0.00 C ATOM 821 C GLU A 54 38.350 26.052 49.179 1.00 0.00 C ATOM 822 O GLU A 54 38.877 26.803 50.001 1.00 0.00 O ATOM 823 CB GLU A 54 37.874 23.701 49.890 1.00 0.00 C ATOM 824 CG GLU A 54 38.465 23.027 48.663 1.00 0.00 C ATOM 825 CD GLU A 54 39.099 21.686 48.983 1.00 0.00 C ATOM 826 OE1 GLU A 54 38.620 21.011 49.917 1.00 0.00 O ATOM 827 OE2 GLU A 54 40.074 21.314 48.297 1.00 0.00 O ATOM 0 H GLU A 54 36.295 24.111 48.004 1.00 0.00 H new ATOM 0 HA GLU A 54 36.786 25.448 50.507 1.00 0.00 H new ATOM 0 HB2 GLU A 54 38.654 23.814 50.643 1.00 0.00 H new ATOM 0 HB3 GLU A 54 37.110 23.052 50.318 1.00 0.00 H new ATOM 0 HG2 GLU A 54 37.682 22.886 47.918 1.00 0.00 H new ATOM 0 HG3 GLU A 54 39.214 23.682 48.218 1.00 0.00 H new ATOM 834 N THR A 55 38.686 26.039 47.893 1.00 0.00 N ATOM 835 CA THR A 55 39.715 26.924 47.363 1.00 0.00 C ATOM 836 C THR A 55 39.201 27.705 46.159 1.00 0.00 C ATOM 837 O THR A 55 39.345 27.270 45.015 1.00 0.00 O ATOM 838 CB THR A 55 40.974 26.138 46.951 1.00 0.00 C ATOM 839 OG1 THR A 55 40.655 25.214 45.905 1.00 0.00 O ATOM 840 CG2 THR A 55 41.555 25.387 48.139 1.00 0.00 C ATOM 0 H THR A 55 38.260 25.425 47.199 1.00 0.00 H new ATOM 0 HA THR A 55 39.975 27.620 48.161 1.00 0.00 H new ATOM 0 HB THR A 55 41.718 26.849 46.592 1.00 0.00 H new ATOM 0 HG1 THR A 55 40.216 25.691 45.170 1.00 0.00 H new ATOM 0 HG21 THR A 55 42.443 24.839 47.824 1.00 0.00 H new ATOM 0 HG22 THR A 55 41.825 26.096 48.921 1.00 0.00 H new ATOM 0 HG23 THR A 55 40.814 24.686 48.524 1.00 0.00 H new ATOM 848 N LEU A 56 38.601 28.861 46.421 1.00 0.00 N ATOM 849 CA LEU A 56 38.066 29.704 45.358 1.00 0.00 C ATOM 850 C LEU A 56 38.235 31.182 45.698 1.00 0.00 C ATOM 851 O LEU A 56 37.360 31.790 46.314 1.00 0.00 O ATOM 852 CB LEU A 56 36.588 29.388 45.125 1.00 0.00 C ATOM 853 CG LEU A 56 35.838 30.337 44.189 1.00 0.00 C ATOM 854 CD1 LEU A 56 36.274 30.120 42.748 1.00 0.00 C ATOM 855 CD2 LEU A 56 34.335 30.146 44.328 1.00 0.00 C ATOM 0 H LEU A 56 38.473 29.236 47.361 1.00 0.00 H new ATOM 0 HA LEU A 56 38.624 29.494 44.446 1.00 0.00 H new ATOM 0 HB2 LEU A 56 36.512 28.378 44.723 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.081 29.386 46.090 1.00 0.00 H new ATOM 0 HG LEU A 56 36.081 31.362 44.470 1.00 0.00 H new ATOM 0 HD11 LEU A 56 35.730 30.804 42.096 1.00 0.00 H new ATOM 0 HD12 LEU A 56 37.344 30.308 42.659 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.061 29.092 42.454 1.00 0.00 H new ATOM 0 HD21 LEU A 56 33.818 30.829 43.655 1.00 0.00 H new ATOM 0 HD22 LEU A 56 34.074 29.119 44.074 1.00 0.00 H new ATOM 0 HD23 LEU A 56 34.035 30.353 45.355 1.00 0.00 H new ATOM 867 N GLN A 57 39.364 31.752 45.291 1.00 0.00 N ATOM 868 CA GLN A 57 39.646 33.159 45.551 1.00 0.00 C ATOM 869 C GLN A 57 40.994 33.562 44.962 1.00 0.00 C ATOM 870 O GLN A 57 41.857 32.726 44.696 1.00 0.00 O ATOM 871 CB GLN A 57 39.631 33.434 47.056 1.00 0.00 C ATOM 872 CG GLN A 57 40.135 32.269 47.892 1.00 0.00 C ATOM 873 CD GLN A 57 40.430 32.664 49.326 1.00 0.00 C ATOM 874 OE1 GLN A 57 39.586 33.248 50.007 1.00 0.00 O ATOM 875 NE2 GLN A 57 41.632 32.348 49.793 1.00 0.00 N ATOM 0 H GLN A 57 40.098 31.262 44.780 1.00 0.00 H new ATOM 0 HA GLN A 57 38.868 33.754 45.072 1.00 0.00 H new ATOM 0 HB2 GLN A 57 40.244 34.311 47.263 1.00 0.00 H new ATOM 0 HB3 GLN A 57 38.614 33.677 47.362 1.00 0.00 H new ATOM 0 HG2 GLN A 57 39.391 31.473 47.884 1.00 0.00 H new ATOM 0 HG3 GLN A 57 41.039 31.865 47.437 1.00 0.00 H new ATOM 0 HE21 GLN A 57 42.301 31.864 49.194 1.00 0.00 H new ATOM 0 HE22 GLN A 57 41.887 32.589 50.751 1.00 0.00 H new ATOM 884 N PRO A 58 41.180 34.874 44.753 1.00 0.00 N ATOM 885 CA PRO A 58 40.159 35.878 45.066 1.00 0.00 C ATOM 886 C PRO A 58 38.960 35.799 44.127 1.00 0.00 C ATOM 887 O PRO A 58 37.827 36.060 44.527 1.00 0.00 O ATOM 888 CB PRO A 58 40.898 37.206 44.879 1.00 0.00 C ATOM 889 CG PRO A 58 41.992 36.898 43.916 1.00 0.00 C ATOM 890 CD PRO A 58 42.401 35.478 44.195 1.00 0.00 C ATOM 0 HA PRO A 58 39.746 35.741 46.065 1.00 0.00 H new ATOM 0 HB2 PRO A 58 40.234 37.977 44.490 1.00 0.00 H new ATOM 0 HB3 PRO A 58 41.295 37.575 45.825 1.00 0.00 H new ATOM 0 HG2 PRO A 58 41.650 37.011 42.887 1.00 0.00 H new ATOM 0 HG3 PRO A 58 42.832 37.579 44.049 1.00 0.00 H new ATOM 0 HD2 PRO A 58 42.723 34.967 43.288 1.00 0.00 H new ATOM 0 HD3 PRO A 58 43.231 35.430 44.900 1.00 0.00 H new ATOM 898 N GLY A 59 39.219 35.435 42.874 1.00 0.00 N ATOM 899 CA GLY A 59 38.151 35.328 41.897 1.00 0.00 C ATOM 900 C GLY A 59 38.555 34.514 40.684 1.00 0.00 C ATOM 901 O GLY A 59 38.763 35.061 39.601 1.00 0.00 O ATOM 0 H GLY A 59 40.149 35.213 42.519 1.00 0.00 H new ATOM 0 HA2 GLY A 59 37.280 34.870 42.365 1.00 0.00 H new ATOM 0 HA3 GLY A 59 37.853 36.327 41.578 1.00 0.00 H new ATOM 905 N ASP A 60 38.668 33.202 40.865 1.00 0.00 N ATOM 906 CA ASP A 60 39.051 32.311 39.776 1.00 0.00 C ATOM 907 C ASP A 60 38.042 32.384 38.634 1.00 0.00 C ATOM 908 O ASP A 60 36.839 32.512 38.862 1.00 0.00 O ATOM 909 CB ASP A 60 39.163 30.872 40.282 1.00 0.00 C ATOM 910 CG ASP A 60 40.475 30.609 40.994 1.00 0.00 C ATOM 911 OD1 ASP A 60 41.461 30.261 40.311 1.00 0.00 O ATOM 912 OD2 ASP A 60 40.516 30.750 42.234 1.00 0.00 O ATOM 0 H ASP A 60 38.500 32.733 41.755 1.00 0.00 H new ATOM 0 HA ASP A 60 40.022 32.633 39.400 1.00 0.00 H new ATOM 0 HB2 ASP A 60 38.336 30.663 40.961 1.00 0.00 H new ATOM 0 HB3 ASP A 60 39.066 30.186 39.441 1.00 0.00 H new ATOM 917 N ASP A 61 38.541 32.303 37.405 1.00 0.00 N ATOM 918 CA ASP A 61 37.684 32.360 36.227 1.00 0.00 C ATOM 919 C ASP A 61 36.622 31.266 36.274 1.00 0.00 C ATOM 920 O ASP A 61 36.904 30.128 36.648 1.00 0.00 O ATOM 921 CB ASP A 61 38.521 32.222 34.954 1.00 0.00 C ATOM 922 CG ASP A 61 39.645 33.236 34.887 1.00 0.00 C ATOM 923 OD1 ASP A 61 39.355 34.429 34.659 1.00 0.00 O ATOM 924 OD2 ASP A 61 40.815 32.837 35.064 1.00 0.00 O ATOM 0 H ASP A 61 39.534 32.198 37.199 1.00 0.00 H new ATOM 0 HA ASP A 61 37.182 33.328 36.219 1.00 0.00 H new ATOM 0 HB2 ASP A 61 38.939 31.217 34.905 1.00 0.00 H new ATOM 0 HB3 ASP A 61 37.876 32.341 34.084 1.00 0.00 H new ATOM 929 N VAL A 62 35.398 31.619 35.891 1.00 0.00 N ATOM 930 CA VAL A 62 34.294 30.668 35.890 1.00 0.00 C ATOM 931 C VAL A 62 33.409 30.855 34.662 1.00 0.00 C ATOM 932 O VAL A 62 33.452 31.896 34.008 1.00 0.00 O ATOM 933 CB VAL A 62 33.430 30.809 37.157 1.00 0.00 C ATOM 934 CG1 VAL A 62 34.199 30.340 38.383 1.00 0.00 C ATOM 935 CG2 VAL A 62 32.964 32.247 37.327 1.00 0.00 C ATOM 0 H VAL A 62 35.147 32.557 35.578 1.00 0.00 H new ATOM 0 HA VAL A 62 34.735 29.671 35.869 1.00 0.00 H new ATOM 0 HB VAL A 62 32.549 30.177 37.047 1.00 0.00 H new ATOM 0 HG11 VAL A 62 33.572 30.447 39.268 1.00 0.00 H new ATOM 0 HG12 VAL A 62 34.477 29.293 38.260 1.00 0.00 H new ATOM 0 HG13 VAL A 62 35.099 30.943 38.500 1.00 0.00 H new ATOM 0 HG21 VAL A 62 32.355 32.328 38.227 1.00 0.00 H new ATOM 0 HG22 VAL A 62 33.831 32.902 37.415 1.00 0.00 H new ATOM 0 HG23 VAL A 62 32.372 32.543 36.461 1.00 0.00 H new ATOM 945 N GLU A 63 32.609 29.839 34.356 1.00 0.00 N ATOM 946 CA GLU A 63 31.714 29.892 33.206 1.00 0.00 C ATOM 947 C GLU A 63 30.257 29.777 33.644 1.00 0.00 C ATOM 948 O GLU A 63 29.959 29.249 34.716 1.00 0.00 O ATOM 949 CB GLU A 63 32.050 28.773 32.218 1.00 0.00 C ATOM 950 CG GLU A 63 31.636 29.078 30.788 1.00 0.00 C ATOM 951 CD GLU A 63 32.356 28.210 29.774 1.00 0.00 C ATOM 952 OE1 GLU A 63 33.479 28.578 29.370 1.00 0.00 O ATOM 953 OE2 GLU A 63 31.797 27.163 29.385 1.00 0.00 O ATOM 0 H GLU A 63 32.562 28.970 34.888 1.00 0.00 H new ATOM 0 HA GLU A 63 31.853 30.855 32.715 1.00 0.00 H new ATOM 0 HB2 GLU A 63 33.124 28.587 32.244 1.00 0.00 H new ATOM 0 HB3 GLU A 63 31.559 27.855 32.541 1.00 0.00 H new ATOM 0 HG2 GLU A 63 30.561 28.933 30.686 1.00 0.00 H new ATOM 0 HG3 GLU A 63 31.838 30.127 30.571 1.00 0.00 H new ATOM 960 N PHE A 64 29.353 30.276 32.808 1.00 0.00 N ATOM 961 CA PHE A 64 27.926 30.232 33.109 1.00 0.00 C ATOM 962 C PHE A 64 27.097 30.414 31.841 1.00 0.00 C ATOM 963 O PHE A 64 27.610 30.836 30.804 1.00 0.00 O ATOM 964 CB PHE A 64 27.565 31.314 34.128 1.00 0.00 C ATOM 965 CG PHE A 64 27.951 32.699 33.694 1.00 0.00 C ATOM 966 CD1 PHE A 64 29.238 33.169 33.897 1.00 0.00 C ATOM 967 CD2 PHE A 64 27.026 33.531 33.083 1.00 0.00 C ATOM 968 CE1 PHE A 64 29.596 34.444 33.499 1.00 0.00 C ATOM 969 CE2 PHE A 64 27.378 34.806 32.683 1.00 0.00 C ATOM 970 CZ PHE A 64 28.665 35.263 32.890 1.00 0.00 C ATOM 0 H PHE A 64 29.583 30.716 31.917 1.00 0.00 H new ATOM 0 HA PHE A 64 27.699 29.254 33.533 1.00 0.00 H new ATOM 0 HB2 PHE A 64 26.491 31.285 34.311 1.00 0.00 H new ATOM 0 HB3 PHE A 64 28.056 31.089 35.075 1.00 0.00 H new ATOM 0 HD1 PHE A 64 29.970 32.532 34.371 1.00 0.00 H new ATOM 0 HD2 PHE A 64 26.019 33.179 32.918 1.00 0.00 H new ATOM 0 HE1 PHE A 64 30.602 34.799 33.664 1.00 0.00 H new ATOM 0 HE2 PHE A 64 26.647 35.445 32.209 1.00 0.00 H new ATOM 0 HZ PHE A 64 28.943 36.258 32.576 1.00 0.00 H new ATOM 980 N THR A 65 25.810 30.091 31.931 1.00 0.00 N ATOM 981 CA THR A 65 24.909 30.217 30.792 1.00 0.00 C ATOM 982 C THR A 65 23.610 30.906 31.192 1.00 0.00 C ATOM 983 O THR A 65 22.818 30.360 31.961 1.00 0.00 O ATOM 984 CB THR A 65 24.580 28.841 30.182 1.00 0.00 C ATOM 985 OG1 THR A 65 25.787 28.105 29.953 1.00 0.00 O ATOM 986 CG2 THR A 65 23.820 28.998 28.873 1.00 0.00 C ATOM 0 H THR A 65 25.369 29.740 32.781 1.00 0.00 H new ATOM 0 HA THR A 65 25.424 30.823 30.047 1.00 0.00 H new ATOM 0 HB THR A 65 23.951 28.297 30.887 1.00 0.00 H new ATOM 0 HG1 THR A 65 25.569 27.231 29.567 1.00 0.00 H new ATOM 0 HG21 THR A 65 23.599 28.014 28.461 1.00 0.00 H new ATOM 0 HG22 THR A 65 22.888 29.533 29.055 1.00 0.00 H new ATOM 0 HG23 THR A 65 24.428 29.560 28.164 1.00 0.00 H new ATOM 994 N ILE A 66 23.398 32.108 30.666 1.00 0.00 N ATOM 995 CA ILE A 66 22.193 32.871 30.968 1.00 0.00 C ATOM 996 C ILE A 66 20.987 32.313 30.219 1.00 0.00 C ATOM 997 O ILE A 66 21.004 32.193 28.994 1.00 0.00 O ATOM 998 CB ILE A 66 22.363 34.358 30.608 1.00 0.00 C ATOM 999 CG1 ILE A 66 23.643 34.914 31.236 1.00 0.00 C ATOM 1000 CG2 ILE A 66 21.152 35.157 31.067 1.00 0.00 C ATOM 1001 CD1 ILE A 66 24.780 35.072 30.251 1.00 0.00 C ATOM 0 H ILE A 66 24.044 32.574 30.029 1.00 0.00 H new ATOM 0 HA ILE A 66 22.024 32.783 32.041 1.00 0.00 H new ATOM 0 HB ILE A 66 22.443 34.447 29.525 1.00 0.00 H new ATOM 0 HG12 ILE A 66 23.426 35.883 31.686 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.960 34.252 32.042 1.00 0.00 H new ATOM 0 HG21 ILE A 66 21.288 36.206 30.805 1.00 0.00 H new ATOM 0 HG22 ILE A 66 20.257 34.774 30.578 1.00 0.00 H new ATOM 0 HG23 ILE A 66 21.043 35.064 32.148 1.00 0.00 H new ATOM 0 HD11 ILE A 66 25.654 35.470 30.766 1.00 0.00 H new ATOM 0 HD12 ILE A 66 25.024 34.102 29.819 1.00 0.00 H new ATOM 0 HD13 ILE A 66 24.482 35.758 29.458 1.00 0.00 H new ATOM 1013 N LYS A 67 19.940 31.975 30.964 1.00 0.00 N ATOM 1014 CA LYS A 67 18.723 31.433 30.372 1.00 0.00 C ATOM 1015 C LYS A 67 17.627 32.492 30.315 1.00 0.00 C ATOM 1016 O LYS A 67 17.855 33.654 30.653 1.00 0.00 O ATOM 1017 CB LYS A 67 18.236 30.223 31.173 1.00 0.00 C ATOM 1018 CG LYS A 67 19.272 29.118 31.296 1.00 0.00 C ATOM 1019 CD LYS A 67 19.694 28.596 29.932 1.00 0.00 C ATOM 1020 CE LYS A 67 20.763 27.521 30.054 1.00 0.00 C ATOM 1021 NZ LYS A 67 20.239 26.175 29.691 1.00 0.00 N ATOM 0 H LYS A 67 19.910 32.067 31.979 1.00 0.00 H new ATOM 0 HA LYS A 67 18.954 31.118 29.354 1.00 0.00 H new ATOM 0 HB2 LYS A 67 17.947 30.551 32.171 1.00 0.00 H new ATOM 0 HB3 LYS A 67 17.341 29.820 30.698 1.00 0.00 H new ATOM 0 HG2 LYS A 67 20.145 29.494 31.829 1.00 0.00 H new ATOM 0 HG3 LYS A 67 18.864 28.300 31.890 1.00 0.00 H new ATOM 0 HD2 LYS A 67 18.826 28.191 29.412 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.072 29.420 29.327 1.00 0.00 H new ATOM 0 HE2 LYS A 67 21.604 27.770 29.407 1.00 0.00 H new ATOM 0 HE3 LYS A 67 21.142 27.500 31.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 20.997 25.470 29.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 19.453 25.926 30.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 19.901 26.188 28.708 1.00 0.00 H new ATOM 1129 N VAL A 74 19.927 35.163 36.265 1.00 0.00 N ATOM 1130 CA VAL A 74 20.660 34.311 37.194 1.00 0.00 C ATOM 1131 C VAL A 74 21.398 33.201 36.456 1.00 0.00 C ATOM 1132 O VAL A 74 20.840 32.551 35.573 1.00 0.00 O ATOM 1133 CB VAL A 74 19.720 33.681 38.240 1.00 0.00 C ATOM 1134 CG1 VAL A 74 19.208 34.740 39.204 1.00 0.00 C ATOM 1135 CG2 VAL A 74 18.565 32.967 37.555 1.00 0.00 C ATOM 0 HA VAL A 74 21.383 34.948 37.704 1.00 0.00 H new ATOM 0 HB VAL A 74 20.283 32.945 38.814 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.546 34.277 39.935 1.00 0.00 H new ATOM 0 HG12 VAL A 74 20.051 35.201 39.719 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.660 35.502 38.650 1.00 0.00 H new ATOM 0 HG21 VAL A 74 17.911 32.528 38.308 1.00 0.00 H new ATOM 0 HG22 VAL A 74 18.000 33.681 36.955 1.00 0.00 H new ATOM 0 HG23 VAL A 74 18.955 32.180 36.910 1.00 0.00 H new ATOM 1145 N ALA A 75 22.657 32.988 36.825 1.00 0.00 N ATOM 1146 CA ALA A 75 23.472 31.954 36.199 1.00 0.00 C ATOM 1147 C ALA A 75 23.328 30.624 36.931 1.00 0.00 C ATOM 1148 O ALA A 75 23.514 30.547 38.146 1.00 0.00 O ATOM 1149 CB ALA A 75 24.932 32.382 36.163 1.00 0.00 C ATOM 0 H ALA A 75 23.135 33.518 37.554 1.00 0.00 H new ATOM 0 HA ALA A 75 23.119 31.817 35.177 1.00 0.00 H new ATOM 0 HB1 ALA A 75 25.529 31.600 35.693 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.027 33.305 35.590 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.288 32.548 37.180 1.00 0.00 H new ATOM 1155 N THR A 76 22.994 29.576 36.184 1.00 0.00 N ATOM 1156 CA THR A 76 22.822 28.249 36.761 1.00 0.00 C ATOM 1157 C THR A 76 23.872 27.279 36.232 1.00 0.00 C ATOM 1158 O THR A 76 24.311 27.387 35.087 1.00 0.00 O ATOM 1159 CB THR A 76 21.421 27.683 36.463 1.00 0.00 C ATOM 1160 OG1 THR A 76 20.939 28.199 35.217 1.00 0.00 O ATOM 1161 CG2 THR A 76 20.446 28.038 37.576 1.00 0.00 C ATOM 0 H THR A 76 22.837 29.621 35.177 1.00 0.00 H new ATOM 0 HA THR A 76 22.940 28.356 37.839 1.00 0.00 H new ATOM 0 HB THR A 76 21.497 26.597 36.401 1.00 0.00 H new ATOM 0 HG1 THR A 76 20.049 27.833 35.034 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.463 27.628 37.343 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.801 27.619 38.518 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.375 29.122 37.665 1.00 0.00 H new ATOM 1169 N ASP A 77 24.272 26.331 37.073 1.00 0.00 N ATOM 1170 CA ASP A 77 25.270 25.340 36.689 1.00 0.00 C ATOM 1171 C ASP A 77 26.598 26.009 36.348 1.00 0.00 C ATOM 1172 O ASP A 77 27.050 25.967 35.203 1.00 0.00 O ATOM 1173 CB ASP A 77 24.775 24.522 35.494 1.00 0.00 C ATOM 1174 CG ASP A 77 23.389 23.951 35.718 1.00 0.00 C ATOM 1175 OD1 ASP A 77 23.016 23.739 36.891 1.00 0.00 O ATOM 1176 OD2 ASP A 77 22.676 23.718 34.720 1.00 0.00 O ATOM 0 H ASP A 77 23.920 26.228 38.025 1.00 0.00 H new ATOM 0 HA ASP A 77 25.427 24.673 37.536 1.00 0.00 H new ATOM 0 HB2 ASP A 77 24.766 25.152 34.605 1.00 0.00 H new ATOM 0 HB3 ASP A 77 25.473 23.708 35.300 1.00 0.00 H new ATOM 1181 N VAL A 78 27.217 26.628 37.348 1.00 0.00 N ATOM 1182 CA VAL A 78 28.492 27.307 37.154 1.00 0.00 C ATOM 1183 C VAL A 78 29.653 26.320 37.204 1.00 0.00 C ATOM 1184 O VAL A 78 29.695 25.438 38.061 1.00 0.00 O ATOM 1185 CB VAL A 78 28.715 28.398 38.219 1.00 0.00 C ATOM 1186 CG1 VAL A 78 30.074 29.055 38.034 1.00 0.00 C ATOM 1187 CG2 VAL A 78 27.601 29.433 38.161 1.00 0.00 C ATOM 0 H VAL A 78 26.856 26.673 38.301 1.00 0.00 H new ATOM 0 HA VAL A 78 28.456 27.773 36.169 1.00 0.00 H new ATOM 0 HB VAL A 78 28.696 27.930 39.203 1.00 0.00 H new ATOM 0 HG11 VAL A 78 30.214 29.823 38.795 1.00 0.00 H new ATOM 0 HG12 VAL A 78 30.858 28.303 38.129 1.00 0.00 H new ATOM 0 HG13 VAL A 78 30.126 29.511 37.045 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.774 30.196 38.920 1.00 0.00 H new ATOM 0 HG22 VAL A 78 27.587 29.898 37.175 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.643 28.947 38.347 1.00 0.00 H new ATOM 1197 N ARG A 79 30.595 26.475 36.279 1.00 0.00 N ATOM 1198 CA ARG A 79 31.757 25.597 36.216 1.00 0.00 C ATOM 1199 C ARG A 79 33.044 26.407 36.094 1.00 0.00 C ATOM 1200 O ARG A 79 33.179 27.249 35.205 1.00 0.00 O ATOM 1201 CB ARG A 79 31.633 24.636 35.033 1.00 0.00 C ATOM 1202 CG ARG A 79 31.210 25.313 33.739 1.00 0.00 C ATOM 1203 CD ARG A 79 30.975 24.299 32.631 1.00 0.00 C ATOM 1204 NE ARG A 79 29.833 24.657 31.794 1.00 0.00 N ATOM 1205 CZ ARG A 79 28.570 24.427 32.137 1.00 0.00 C ATOM 1206 NH1 ARG A 79 28.289 23.843 33.293 1.00 0.00 N ATOM 1207 NH2 ARG A 79 27.585 24.783 31.322 1.00 0.00 N ATOM 0 H ARG A 79 30.576 27.201 35.563 1.00 0.00 H new ATOM 0 HA ARG A 79 31.796 25.021 37.141 1.00 0.00 H new ATOM 0 HB2 ARG A 79 32.591 24.140 34.877 1.00 0.00 H new ATOM 0 HB3 ARG A 79 30.909 23.860 35.281 1.00 0.00 H new ATOM 0 HG2 ARG A 79 30.299 25.886 33.908 1.00 0.00 H new ATOM 0 HG3 ARG A 79 31.979 26.021 33.429 1.00 0.00 H new ATOM 0 HD2 ARG A 79 31.869 24.225 32.012 1.00 0.00 H new ATOM 0 HD3 ARG A 79 30.809 23.315 33.070 1.00 0.00 H new ATOM 0 HE ARG A 79 30.015 25.108 30.897 1.00 0.00 H new ATOM 0 HH11 ARG A 79 29.043 23.569 33.922 1.00 0.00 H new ATOM 0 HH12 ARG A 79 27.318 23.668 33.553 1.00 0.00 H new ATOM 0 HH21 ARG A 79 27.797 25.233 30.432 1.00 0.00 H new ATOM 0 HH22 ARG A 79 26.616 24.606 31.586 1.00 0.00 H new ATOM 1221 N LEU A 80 33.987 26.148 36.993 1.00 0.00 N ATOM 1222 CA LEU A 80 35.265 26.853 36.988 1.00 0.00 C ATOM 1223 C LEU A 80 35.951 26.724 35.632 1.00 0.00 C ATOM 1224 O LEU A 80 35.782 25.726 34.930 1.00 0.00 O ATOM 1225 CB LEU A 80 36.176 26.306 38.088 1.00 0.00 C ATOM 1226 CG LEU A 80 36.164 27.073 39.411 1.00 0.00 C ATOM 1227 CD1 LEU A 80 36.699 26.201 40.537 1.00 0.00 C ATOM 1228 CD2 LEU A 80 36.977 28.353 39.293 1.00 0.00 C ATOM 0 H LEU A 80 33.891 25.455 37.735 1.00 0.00 H new ATOM 0 HA LEU A 80 35.071 27.909 37.178 1.00 0.00 H new ATOM 0 HB2 LEU A 80 35.892 25.273 38.287 1.00 0.00 H new ATOM 0 HB3 LEU A 80 37.198 26.288 37.710 1.00 0.00 H new ATOM 0 HG LEU A 80 35.134 27.342 39.644 1.00 0.00 H new ATOM 0 HD11 LEU A 80 36.683 26.763 41.471 1.00 0.00 H new ATOM 0 HD12 LEU A 80 36.075 25.313 40.637 1.00 0.00 H new ATOM 0 HD13 LEU A 80 37.722 25.902 40.311 1.00 0.00 H new ATOM 0 HD21 LEU A 80 36.957 28.886 40.244 1.00 0.00 H new ATOM 0 HD22 LEU A 80 38.007 28.107 39.036 1.00 0.00 H new ATOM 0 HD23 LEU A 80 36.550 28.985 38.514 1.00 0.00 H new ATOM 1240 N LEU A 81 36.729 27.738 35.270 1.00 0.00 N ATOM 1241 CA LEU A 81 37.445 27.738 33.999 1.00 0.00 C ATOM 1242 C LEU A 81 38.848 27.164 34.164 1.00 0.00 C ATOM 1243 O LEU A 81 39.403 27.123 35.262 1.00 0.00 O ATOM 1244 CB LEU A 81 37.525 29.158 33.436 1.00 0.00 C ATOM 1245 CG LEU A 81 36.300 29.642 32.659 1.00 0.00 C ATOM 1246 CD1 LEU A 81 36.442 31.114 32.303 1.00 0.00 C ATOM 1247 CD2 LEU A 81 36.100 28.805 31.404 1.00 0.00 C ATOM 0 H LEU A 81 36.880 28.571 35.839 1.00 0.00 H new ATOM 0 HA LEU A 81 36.895 27.108 33.301 1.00 0.00 H new ATOM 0 HB2 LEU A 81 37.701 29.846 34.263 1.00 0.00 H new ATOM 0 HB3 LEU A 81 38.394 29.219 32.780 1.00 0.00 H new ATOM 0 HG LEU A 81 35.421 29.525 33.293 1.00 0.00 H new ATOM 0 HD11 LEU A 81 35.561 31.441 31.750 1.00 0.00 H new ATOM 0 HD12 LEU A 81 36.537 31.702 33.216 1.00 0.00 H new ATOM 0 HD13 LEU A 81 37.330 31.255 31.687 1.00 0.00 H new ATOM 0 HD21 LEU A 81 35.224 29.163 30.863 1.00 0.00 H new ATOM 0 HD22 LEU A 81 36.980 28.890 30.766 1.00 0.00 H new ATOM 0 HD23 LEU A 81 35.953 27.761 31.682 1.00 0.00 H new ATOM 1259 N PRO A 82 39.438 26.712 33.047 1.00 0.00 N ATOM 1260 CA PRO A 82 40.786 26.135 33.042 1.00 0.00 C ATOM 1261 C PRO A 82 41.865 27.180 33.307 1.00 0.00 C ATOM 1262 O PRO A 82 41.587 28.378 33.333 1.00 0.00 O ATOM 1263 CB PRO A 82 40.924 25.570 31.626 1.00 0.00 C ATOM 1264 CG PRO A 82 39.987 26.382 30.801 1.00 0.00 C ATOM 1265 CD PRO A 82 38.836 26.730 31.704 1.00 0.00 C ATOM 0 HA PRO A 82 40.914 25.390 33.827 1.00 0.00 H new ATOM 0 HB2 PRO A 82 41.948 25.657 31.263 1.00 0.00 H new ATOM 0 HB3 PRO A 82 40.664 24.512 31.595 1.00 0.00 H new ATOM 0 HG2 PRO A 82 40.476 27.282 30.427 1.00 0.00 H new ATOM 0 HG3 PRO A 82 39.645 25.820 29.932 1.00 0.00 H new ATOM 0 HD2 PRO A 82 38.418 27.708 31.464 1.00 0.00 H new ATOM 0 HD3 PRO A 82 38.025 26.007 31.618 1.00 0.00 H new