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 -178:sc= -0.546 (180deg=-0.47) USER MOD Set 1.2: A 46 TYR OH : rot 180:sc= -0.0144 USER MOD Set 1.3: A 57 GLN : amide:sc= 0.426 X(o=-0.13,f=-0.57) USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0481 X(o=-0.048,f=0) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 159:sc= -0.0605 (180deg=-0.474) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 47 SER OG : rot 83:sc= 0.499 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 64:sc=-0.00717 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 28.549 32.219 28.298 1.00 0.00 N ATOM 272 CA CYS A 19 29.110 33.441 28.864 1.00 0.00 C ATOM 273 C CYS A 19 29.965 33.130 30.089 1.00 0.00 C ATOM 274 O CYS A 19 29.559 32.363 30.961 1.00 0.00 O ATOM 275 CB CYS A 19 27.992 34.414 29.241 1.00 0.00 C ATOM 276 SG CYS A 19 27.598 35.620 27.953 1.00 0.00 S ATOM 0 HA CYS A 19 29.744 33.904 28.108 1.00 0.00 H new ATOM 0 HB2 CYS A 19 27.093 33.844 29.477 1.00 0.00 H new ATOM 0 HB3 CYS A 19 28.279 34.947 30.147 1.00 0.00 H new ATOM 0 HG CYS A 19 26.640 36.397 28.364 1.00 0.00 H new ATOM 282 N GLN A 20 31.150 33.729 30.145 1.00 0.00 N ATOM 283 CA GLN A 20 32.062 33.514 31.261 1.00 0.00 C ATOM 284 C GLN A 20 32.785 34.805 31.631 1.00 0.00 C ATOM 285 O GLN A 20 32.754 35.781 30.883 1.00 0.00 O ATOM 286 CB GLN A 20 33.081 32.427 30.913 1.00 0.00 C ATOM 287 CG GLN A 20 34.113 32.867 29.887 1.00 0.00 C ATOM 288 CD GLN A 20 34.465 31.767 28.905 1.00 0.00 C ATOM 289 OE1 GLN A 20 35.603 31.300 28.860 1.00 0.00 O ATOM 290 NE2 GLN A 20 33.487 31.347 28.111 1.00 0.00 N ATOM 0 H GLN A 20 31.501 34.367 29.430 1.00 0.00 H new ATOM 0 HA GLN A 20 31.474 33.190 32.120 1.00 0.00 H new ATOM 0 HB2 GLN A 20 33.595 32.117 31.823 1.00 0.00 H new ATOM 0 HB3 GLN A 20 32.552 31.553 30.532 1.00 0.00 H new ATOM 0 HG2 GLN A 20 33.731 33.729 29.340 1.00 0.00 H new ATOM 0 HG3 GLN A 20 35.017 33.192 30.403 1.00 0.00 H new ATOM 0 HE21 GLN A 20 32.558 31.762 28.182 1.00 0.00 H new ATOM 0 HE22 GLN A 20 33.665 30.609 27.430 1.00 0.00 H new ATOM 299 N GLY A 21 33.434 34.803 32.791 1.00 0.00 N ATOM 300 CA GLY A 21 34.155 35.980 33.240 1.00 0.00 C ATOM 301 C GLY A 21 35.047 35.694 34.431 1.00 0.00 C ATOM 302 O GLY A 21 35.843 34.755 34.409 1.00 0.00 O ATOM 0 H GLY A 21 33.474 34.007 33.428 1.00 0.00 H new ATOM 0 HA2 GLY A 21 34.761 36.366 32.420 1.00 0.00 H new ATOM 0 HA3 GLY A 21 33.442 36.761 33.504 1.00 0.00 H new ATOM 306 N VAL A 22 34.917 36.507 35.475 1.00 0.00 N ATOM 307 CA VAL A 22 35.718 36.337 36.681 1.00 0.00 C ATOM 308 C VAL A 22 34.917 36.696 37.928 1.00 0.00 C ATOM 309 O VAL A 22 34.295 37.756 37.995 1.00 0.00 O ATOM 310 CB VAL A 22 36.991 37.203 36.635 1.00 0.00 C ATOM 311 CG1 VAL A 22 37.882 36.907 37.832 1.00 0.00 C ATOM 312 CG2 VAL A 22 37.743 36.976 35.332 1.00 0.00 C ATOM 0 H VAL A 22 34.264 37.290 35.509 1.00 0.00 H new ATOM 0 HA VAL A 22 36.003 35.286 36.726 1.00 0.00 H new ATOM 0 HB VAL A 22 36.698 38.252 36.681 1.00 0.00 H new ATOM 0 HG11 VAL A 22 38.776 37.528 37.782 1.00 0.00 H new ATOM 0 HG12 VAL A 22 37.340 37.125 38.752 1.00 0.00 H new ATOM 0 HG13 VAL A 22 38.169 35.856 37.821 1.00 0.00 H new ATOM 0 HG21 VAL A 22 38.640 37.596 35.317 1.00 0.00 H new ATOM 0 HG22 VAL A 22 38.026 35.926 35.253 1.00 0.00 H new ATOM 0 HG23 VAL A 22 37.103 37.243 34.491 1.00 0.00 H new ATOM 322 N VAL A 23 34.939 35.806 38.915 1.00 0.00 N ATOM 323 CA VAL A 23 34.216 36.029 40.161 1.00 0.00 C ATOM 324 C VAL A 23 34.558 37.389 40.759 1.00 0.00 C ATOM 325 O VAL A 23 35.640 37.579 41.315 1.00 0.00 O ATOM 326 CB VAL A 23 34.530 34.932 41.196 1.00 0.00 C ATOM 327 CG1 VAL A 23 33.789 35.197 42.497 1.00 0.00 C ATOM 328 CG2 VAL A 23 34.175 33.560 40.641 1.00 0.00 C ATOM 0 H VAL A 23 35.450 34.924 38.876 1.00 0.00 H new ATOM 0 HA VAL A 23 33.153 35.998 39.920 1.00 0.00 H new ATOM 0 HB VAL A 23 35.600 34.949 41.405 1.00 0.00 H new ATOM 0 HG11 VAL A 23 34.023 34.412 43.216 1.00 0.00 H new ATOM 0 HG12 VAL A 23 34.096 36.162 42.901 1.00 0.00 H new ATOM 0 HG13 VAL A 23 32.715 35.208 42.309 1.00 0.00 H new ATOM 0 HG21 VAL A 23 34.403 32.797 41.385 1.00 0.00 H new ATOM 0 HG22 VAL A 23 33.112 33.528 40.402 1.00 0.00 H new ATOM 0 HG23 VAL A 23 34.755 33.372 39.738 1.00 0.00 H new ATOM 338 N CYS A 24 33.629 38.331 40.642 1.00 0.00 N ATOM 339 CA CYS A 24 33.832 39.675 41.171 1.00 0.00 C ATOM 340 C CYS A 24 33.418 39.751 42.637 1.00 0.00 C ATOM 341 O CYS A 24 34.180 40.217 43.484 1.00 0.00 O ATOM 342 CB CYS A 24 33.039 40.694 40.351 1.00 0.00 C ATOM 343 SG CYS A 24 33.188 42.395 40.944 1.00 0.00 S ATOM 0 H CYS A 24 32.728 38.189 40.186 1.00 0.00 H new ATOM 0 HA CYS A 24 34.894 39.910 41.100 1.00 0.00 H new ATOM 0 HB2 CYS A 24 33.375 40.651 39.315 1.00 0.00 H new ATOM 0 HB3 CYS A 24 31.987 40.409 40.357 1.00 0.00 H new ATOM 0 HG CYS A 24 32.484 43.182 40.186 1.00 0.00 H new ATOM 349 N ALA A 25 32.206 39.290 42.928 1.00 0.00 N ATOM 350 CA ALA A 25 31.691 39.306 44.292 1.00 0.00 C ATOM 351 C ALA A 25 32.053 38.021 45.030 1.00 0.00 C ATOM 352 O ALA A 25 32.037 36.936 44.450 1.00 0.00 O ATOM 353 CB ALA A 25 30.182 39.504 44.284 1.00 0.00 C ATOM 0 H ALA A 25 31.563 38.901 42.238 1.00 0.00 H new ATOM 0 HA ALA A 25 32.154 40.140 44.819 1.00 0.00 H new ATOM 0 HB1 ALA A 25 29.811 39.514 45.309 1.00 0.00 H new ATOM 0 HB2 ALA A 25 29.942 40.452 43.802 1.00 0.00 H new ATOM 0 HB3 ALA A 25 29.711 38.688 43.735 1.00 0.00 H new ATOM 359 N MET A 26 32.380 38.153 46.311 1.00 0.00 N ATOM 360 CA MET A 26 32.745 37.001 47.128 1.00 0.00 C ATOM 361 C MET A 26 31.961 36.992 48.436 1.00 0.00 C ATOM 362 O MET A 26 32.218 37.796 49.332 1.00 0.00 O ATOM 363 CB MET A 26 34.247 37.013 47.421 1.00 0.00 C ATOM 364 CG MET A 26 35.022 35.944 46.667 1.00 0.00 C ATOM 365 SD MET A 26 35.233 34.432 47.626 1.00 0.00 S ATOM 366 CE MET A 26 34.954 33.190 46.367 1.00 0.00 C ATOM 0 H MET A 26 32.400 39.045 46.806 1.00 0.00 H new ATOM 0 HA MET A 26 32.497 36.098 46.570 1.00 0.00 H new ATOM 0 HB2 MET A 26 34.651 37.992 47.164 1.00 0.00 H new ATOM 0 HB3 MET A 26 34.401 36.875 48.491 1.00 0.00 H new ATOM 0 HG2 MET A 26 34.502 35.711 45.738 1.00 0.00 H new ATOM 0 HG3 MET A 26 36.002 36.336 46.394 1.00 0.00 H new ATOM 0 HE1 MET A 26 35.015 32.198 46.815 1.00 0.00 H new ATOM 0 HE2 MET A 26 33.965 33.330 45.930 1.00 0.00 H new ATOM 0 HE3 MET A 26 35.711 33.284 45.589 1.00 0.00 H new ATOM 376 N LYS A 27 31.003 36.077 48.539 1.00 0.00 N ATOM 377 CA LYS A 27 30.181 35.961 49.738 1.00 0.00 C ATOM 378 C LYS A 27 30.165 34.524 50.250 1.00 0.00 C ATOM 379 O LYS A 27 30.718 33.625 49.618 1.00 0.00 O ATOM 380 CB LYS A 27 28.752 36.426 49.448 1.00 0.00 C ATOM 381 CG LYS A 27 28.128 37.219 50.584 1.00 0.00 C ATOM 382 CD LYS A 27 28.001 38.692 50.231 1.00 0.00 C ATOM 383 CE LYS A 27 27.802 39.547 51.473 1.00 0.00 C ATOM 384 NZ LYS A 27 29.002 39.532 52.355 1.00 0.00 N ATOM 0 H LYS A 27 30.777 35.405 47.806 1.00 0.00 H new ATOM 0 HA LYS A 27 30.615 36.598 50.509 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.754 37.039 48.547 1.00 0.00 H new ATOM 0 HB3 LYS A 27 28.131 35.555 49.240 1.00 0.00 H new ATOM 0 HG2 LYS A 27 27.143 36.813 50.815 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.736 37.110 51.482 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.896 39.019 49.702 1.00 0.00 H new ATOM 0 HD3 LYS A 27 27.160 38.833 49.552 1.00 0.00 H new ATOM 0 HE2 LYS A 27 27.582 40.573 51.176 1.00 0.00 H new ATOM 0 HE3 LYS A 27 26.938 39.184 52.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 28.986 40.365 52.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 28.997 38.668 52.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 29.862 39.553 51.771 1.00 0.00 H new ATOM 398 N GLU A 28 29.526 34.317 51.397 1.00 0.00 N ATOM 399 CA GLU A 28 29.438 32.989 51.993 1.00 0.00 C ATOM 400 C GLU A 28 28.098 32.334 51.667 1.00 0.00 C ATOM 401 O GLU A 28 27.439 31.776 52.544 1.00 0.00 O ATOM 402 CB GLU A 28 29.622 33.072 53.509 1.00 0.00 C ATOM 403 CG GLU A 28 30.272 31.838 54.112 1.00 0.00 C ATOM 404 CD GLU A 28 31.601 32.143 54.776 1.00 0.00 C ATOM 405 OE1 GLU A 28 31.664 33.117 55.555 1.00 0.00 O ATOM 406 OE2 GLU A 28 32.577 31.409 54.516 1.00 0.00 O ATOM 0 H GLU A 28 29.062 35.051 51.932 1.00 0.00 H new ATOM 0 HA GLU A 28 30.235 32.376 51.571 1.00 0.00 H new ATOM 0 HB2 GLU A 28 30.230 33.945 53.745 1.00 0.00 H new ATOM 0 HB3 GLU A 28 28.649 33.225 53.977 1.00 0.00 H new ATOM 0 HG2 GLU A 28 29.596 31.398 54.845 1.00 0.00 H new ATOM 0 HG3 GLU A 28 30.423 31.093 53.331 1.00 0.00 H new ATOM 413 N ALA A 29 27.703 32.408 50.401 1.00 0.00 N ATOM 414 CA ALA A 29 26.443 31.822 49.959 1.00 0.00 C ATOM 415 C ALA A 29 26.249 32.005 48.457 1.00 0.00 C ATOM 416 O ALA A 29 25.740 31.117 47.774 1.00 0.00 O ATOM 417 CB ALA A 29 25.279 32.435 50.722 1.00 0.00 C ATOM 0 H ALA A 29 28.237 32.868 49.663 1.00 0.00 H new ATOM 0 HA ALA A 29 26.476 30.753 50.167 1.00 0.00 H new ATOM 0 HB1 ALA A 29 24.345 31.988 50.381 1.00 0.00 H new ATOM 0 HB2 ALA A 29 25.404 32.247 51.788 1.00 0.00 H new ATOM 0 HB3 ALA A 29 25.253 33.510 50.544 1.00 0.00 H new ATOM 423 N PHE A 30 26.658 33.164 47.950 1.00 0.00 N ATOM 424 CA PHE A 30 26.527 33.465 46.529 1.00 0.00 C ATOM 425 C PHE A 30 27.567 34.493 46.093 1.00 0.00 C ATOM 426 O PHE A 30 28.256 35.085 46.922 1.00 0.00 O ATOM 427 CB PHE A 30 25.121 33.984 46.223 1.00 0.00 C ATOM 428 CG PHE A 30 24.647 35.035 47.186 1.00 0.00 C ATOM 429 CD1 PHE A 30 25.279 36.266 47.254 1.00 0.00 C ATOM 430 CD2 PHE A 30 23.569 34.792 48.022 1.00 0.00 C ATOM 431 CE1 PHE A 30 24.845 37.235 48.140 1.00 0.00 C ATOM 432 CE2 PHE A 30 23.131 35.757 48.910 1.00 0.00 C ATOM 433 CZ PHE A 30 23.769 36.980 48.968 1.00 0.00 C ATOM 0 H PHE A 30 27.083 33.909 48.502 1.00 0.00 H new ATOM 0 HA PHE A 30 26.696 32.544 45.971 1.00 0.00 H new ATOM 0 HB2 PHE A 30 25.106 34.394 45.213 1.00 0.00 H new ATOM 0 HB3 PHE A 30 24.422 33.147 46.238 1.00 0.00 H new ATOM 0 HD1 PHE A 30 26.120 36.471 46.608 1.00 0.00 H new ATOM 0 HD2 PHE A 30 23.065 33.838 47.979 1.00 0.00 H new ATOM 0 HE1 PHE A 30 25.347 38.190 48.185 1.00 0.00 H new ATOM 0 HE2 PHE A 30 22.291 35.554 49.558 1.00 0.00 H new ATOM 0 HZ PHE A 30 23.427 37.736 49.659 1.00 0.00 H new ATOM 443 N GLY A 31 27.674 34.700 44.784 1.00 0.00 N ATOM 444 CA GLY A 31 28.631 35.655 44.260 1.00 0.00 C ATOM 445 C GLY A 31 28.215 36.215 42.914 1.00 0.00 C ATOM 446 O GLY A 31 27.097 35.978 42.454 1.00 0.00 O ATOM 0 H GLY A 31 27.114 34.223 44.077 1.00 0.00 H new ATOM 0 HA2 GLY A 31 28.748 36.474 44.970 1.00 0.00 H new ATOM 0 HA3 GLY A 31 29.604 35.174 44.165 1.00 0.00 H new ATOM 450 N PHE A 32 29.114 36.961 42.281 1.00 0.00 N ATOM 451 CA PHE A 32 28.832 37.559 40.981 1.00 0.00 C ATOM 452 C PHE A 32 29.986 37.319 40.011 1.00 0.00 C ATOM 453 O PHE A 32 31.037 36.806 40.396 1.00 0.00 O ATOM 454 CB PHE A 32 28.580 39.060 41.130 1.00 0.00 C ATOM 455 CG PHE A 32 27.211 39.389 41.655 1.00 0.00 C ATOM 456 CD1 PHE A 32 26.869 39.096 42.965 1.00 0.00 C ATOM 457 CD2 PHE A 32 26.268 39.990 40.838 1.00 0.00 C ATOM 458 CE1 PHE A 32 25.611 39.397 43.451 1.00 0.00 C ATOM 459 CE2 PHE A 32 25.008 40.294 41.319 1.00 0.00 C ATOM 460 CZ PHE A 32 24.679 39.996 42.627 1.00 0.00 C ATOM 0 H PHE A 32 30.044 37.166 42.647 1.00 0.00 H new ATOM 0 HA PHE A 32 27.937 37.086 40.578 1.00 0.00 H new ATOM 0 HB2 PHE A 32 29.329 39.481 41.801 1.00 0.00 H new ATOM 0 HB3 PHE A 32 28.714 39.541 40.161 1.00 0.00 H new ATOM 0 HD1 PHE A 32 27.594 38.627 43.614 1.00 0.00 H new ATOM 0 HD2 PHE A 32 26.520 40.224 39.814 1.00 0.00 H new ATOM 0 HE1 PHE A 32 25.357 39.164 44.475 1.00 0.00 H new ATOM 0 HE2 PHE A 32 24.282 40.764 40.673 1.00 0.00 H new ATOM 0 HZ PHE A 32 23.695 40.231 43.004 1.00 0.00 H new ATOM 470 N ILE A 33 29.781 37.694 38.753 1.00 0.00 N ATOM 471 CA ILE A 33 30.803 37.521 37.729 1.00 0.00 C ATOM 472 C ILE A 33 30.900 38.753 36.835 1.00 0.00 C ATOM 473 O ILE A 33 29.897 39.222 36.297 1.00 0.00 O ATOM 474 CB ILE A 33 30.519 36.286 36.853 1.00 0.00 C ATOM 475 CG1 ILE A 33 30.446 35.026 37.718 1.00 0.00 C ATOM 476 CG2 ILE A 33 31.590 36.139 35.782 1.00 0.00 C ATOM 477 CD1 ILE A 33 29.802 33.850 37.018 1.00 0.00 C ATOM 0 H ILE A 33 28.916 38.120 38.419 1.00 0.00 H new ATOM 0 HA ILE A 33 31.750 37.377 38.250 1.00 0.00 H new ATOM 0 HB ILE A 33 29.556 36.422 36.360 1.00 0.00 H new ATOM 0 HG12 ILE A 33 31.454 34.748 38.026 1.00 0.00 H new ATOM 0 HG13 ILE A 33 29.885 35.250 38.626 1.00 0.00 H new ATOM 0 HG21 ILE A 33 31.376 35.262 35.171 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.598 37.028 35.151 1.00 0.00 H new ATOM 0 HG23 ILE A 33 32.565 36.022 36.256 1.00 0.00 H new ATOM 0 HD11 ILE A 33 29.784 32.992 37.690 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.782 34.110 36.734 1.00 0.00 H new ATOM 0 HD13 ILE A 33 30.375 33.600 36.125 1.00 0.00 H new ATOM 489 N GLU A 34 32.114 39.271 36.680 1.00 0.00 N ATOM 490 CA GLU A 34 32.342 40.448 35.849 1.00 0.00 C ATOM 491 C GLU A 34 32.268 40.091 34.368 1.00 0.00 C ATOM 492 O GLU A 34 33.059 39.289 33.871 1.00 0.00 O ATOM 493 CB GLU A 34 33.704 41.069 36.168 1.00 0.00 C ATOM 494 CG GLU A 34 33.623 42.525 36.595 1.00 0.00 C ATOM 495 CD GLU A 34 34.990 43.149 36.797 1.00 0.00 C ATOM 496 OE1 GLU A 34 35.809 43.100 35.856 1.00 0.00 O ATOM 497 OE2 GLU A 34 35.241 43.687 37.896 1.00 0.00 O ATOM 0 H GLU A 34 32.955 38.895 37.118 1.00 0.00 H new ATOM 0 HA GLU A 34 31.559 41.174 36.069 1.00 0.00 H new ATOM 0 HB2 GLU A 34 34.180 40.492 36.961 1.00 0.00 H new ATOM 0 HB3 GLU A 34 34.344 40.992 35.289 1.00 0.00 H new ATOM 0 HG2 GLU A 34 33.077 43.091 35.841 1.00 0.00 H new ATOM 0 HG3 GLU A 34 33.054 42.597 37.522 1.00 0.00 H new ATOM 601 N GLU A 41 25.521 41.931 33.908 1.00 0.00 N ATOM 602 CA GLU A 41 25.958 41.044 34.980 1.00 0.00 C ATOM 603 C GLU A 41 24.879 40.017 35.310 1.00 0.00 C ATOM 604 O GLU A 41 23.732 40.145 34.879 1.00 0.00 O ATOM 605 CB GLU A 41 26.308 41.852 36.231 1.00 0.00 C ATOM 606 CG GLU A 41 25.096 42.443 36.932 1.00 0.00 C ATOM 607 CD GLU A 41 25.316 43.878 37.369 1.00 0.00 C ATOM 608 OE1 GLU A 41 25.876 44.084 38.466 1.00 0.00 O ATOM 609 OE2 GLU A 41 24.928 44.794 36.614 1.00 0.00 O ATOM 0 HA GLU A 41 26.847 40.514 34.638 1.00 0.00 H new ATOM 0 HB2 GLU A 41 26.844 41.210 36.930 1.00 0.00 H new ATOM 0 HB3 GLU A 41 26.987 42.659 35.954 1.00 0.00 H new ATOM 0 HG2 GLU A 41 24.237 42.399 36.263 1.00 0.00 H new ATOM 0 HG3 GLU A 41 24.853 41.835 37.803 1.00 0.00 H new ATOM 616 N ILE A 42 25.254 38.998 36.076 1.00 0.00 N ATOM 617 CA ILE A 42 24.319 37.950 36.465 1.00 0.00 C ATOM 618 C ILE A 42 24.588 37.472 37.888 1.00 0.00 C ATOM 619 O ILE A 42 25.631 37.774 38.468 1.00 0.00 O ATOM 620 CB ILE A 42 24.394 36.745 35.508 1.00 0.00 C ATOM 621 CG1 ILE A 42 25.590 35.859 35.862 1.00 0.00 C ATOM 622 CG2 ILE A 42 24.489 37.220 34.065 1.00 0.00 C ATOM 623 CD1 ILE A 42 26.914 36.590 35.832 1.00 0.00 C ATOM 0 H ILE A 42 26.199 38.876 36.440 1.00 0.00 H new ATOM 0 HA ILE A 42 23.320 38.384 36.413 1.00 0.00 H new ATOM 0 HB ILE A 42 23.484 36.156 35.617 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.439 35.439 36.856 1.00 0.00 H new ATOM 0 HG13 ILE A 42 25.631 35.022 35.165 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.541 36.357 33.401 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.609 37.815 33.819 1.00 0.00 H new ATOM 0 HG23 ILE A 42 25.385 37.829 33.941 1.00 0.00 H new ATOM 0 HD11 ILE A 42 27.717 35.900 36.093 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.088 36.987 34.832 1.00 0.00 H new ATOM 0 HD13 ILE A 42 26.893 37.410 36.549 1.00 0.00 H new ATOM 635 N PHE A 43 23.641 36.724 38.444 1.00 0.00 N ATOM 636 CA PHE A 43 23.776 36.203 39.799 1.00 0.00 C ATOM 637 C PHE A 43 23.802 34.677 39.795 1.00 0.00 C ATOM 638 O PHE A 43 23.056 34.034 39.057 1.00 0.00 O ATOM 639 CB PHE A 43 22.626 36.702 40.677 1.00 0.00 C ATOM 640 CG PHE A 43 22.589 36.064 42.036 1.00 0.00 C ATOM 641 CD1 PHE A 43 21.904 34.878 42.240 1.00 0.00 C ATOM 642 CD2 PHE A 43 23.240 36.651 43.109 1.00 0.00 C ATOM 643 CE1 PHE A 43 21.867 34.289 43.490 1.00 0.00 C ATOM 644 CE2 PHE A 43 23.208 36.067 44.362 1.00 0.00 C ATOM 645 CZ PHE A 43 22.521 34.884 44.552 1.00 0.00 C ATOM 0 H PHE A 43 22.772 36.465 37.977 1.00 0.00 H new ATOM 0 HA PHE A 43 24.720 36.564 40.208 1.00 0.00 H new ATOM 0 HB2 PHE A 43 22.711 37.782 40.794 1.00 0.00 H new ATOM 0 HB3 PHE A 43 21.681 36.510 40.168 1.00 0.00 H new ATOM 0 HD1 PHE A 43 21.393 34.408 41.413 1.00 0.00 H new ATOM 0 HD2 PHE A 43 23.779 37.576 42.965 1.00 0.00 H new ATOM 0 HE1 PHE A 43 21.328 33.365 43.636 1.00 0.00 H new ATOM 0 HE2 PHE A 43 23.719 36.535 45.190 1.00 0.00 H new ATOM 0 HZ PHE A 43 22.495 34.425 45.529 1.00 0.00 H new ATOM 655 N PHE A 44 24.668 34.105 40.625 1.00 0.00 N ATOM 656 CA PHE A 44 24.794 32.655 40.717 1.00 0.00 C ATOM 657 C PHE A 44 24.906 32.210 42.173 1.00 0.00 C ATOM 658 O PHE A 44 25.474 32.915 43.007 1.00 0.00 O ATOM 659 CB PHE A 44 26.015 32.177 39.930 1.00 0.00 C ATOM 660 CG PHE A 44 27.322 32.503 40.594 1.00 0.00 C ATOM 661 CD1 PHE A 44 27.963 33.704 40.338 1.00 0.00 C ATOM 662 CD2 PHE A 44 27.909 31.609 41.476 1.00 0.00 C ATOM 663 CE1 PHE A 44 29.166 34.007 40.948 1.00 0.00 C ATOM 664 CE2 PHE A 44 29.112 31.907 42.088 1.00 0.00 C ATOM 665 CZ PHE A 44 29.741 33.108 41.825 1.00 0.00 C ATOM 0 H PHE A 44 25.293 34.623 41.243 1.00 0.00 H new ATOM 0 HA PHE A 44 23.897 32.209 40.287 1.00 0.00 H new ATOM 0 HB2 PHE A 44 25.947 31.098 39.790 1.00 0.00 H new ATOM 0 HB3 PHE A 44 25.998 32.629 38.938 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.518 34.412 39.654 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.421 30.669 41.687 1.00 0.00 H new ATOM 0 HE1 PHE A 44 29.656 34.946 40.739 1.00 0.00 H new ATOM 0 HE2 PHE A 44 29.560 31.201 42.772 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.680 33.344 42.304 1.00 0.00 H new ATOM 675 N HIS A 45 24.361 31.035 42.470 1.00 0.00 N ATOM 676 CA HIS A 45 24.400 30.495 43.825 1.00 0.00 C ATOM 677 C HIS A 45 25.367 29.318 43.913 1.00 0.00 C ATOM 678 O HIS A 45 25.453 28.502 42.994 1.00 0.00 O ATOM 679 CB HIS A 45 23.002 30.055 44.261 1.00 0.00 C ATOM 680 CG HIS A 45 22.661 30.452 45.665 1.00 0.00 C ATOM 681 ND1 HIS A 45 23.096 29.753 46.771 1.00 0.00 N ATOM 682 CD2 HIS A 45 21.923 31.483 46.139 1.00 0.00 C ATOM 683 CE1 HIS A 45 22.639 30.336 47.865 1.00 0.00 C ATOM 684 NE2 HIS A 45 21.924 31.388 47.509 1.00 0.00 N ATOM 0 H HIS A 45 23.887 30.439 41.792 1.00 0.00 H new ATOM 0 HA HIS A 45 24.751 31.281 44.493 1.00 0.00 H new ATOM 0 HB2 HIS A 45 22.266 30.485 43.581 1.00 0.00 H new ATOM 0 HB3 HIS A 45 22.926 28.972 44.170 1.00 0.00 H new ATOM 0 HD2 HIS A 45 21.426 32.239 45.550 1.00 0.00 H new ATOM 0 HE1 HIS A 45 22.819 30.008 48.878 1.00 0.00 H new ATOM 0 HE2 HIS A 45 21.450 32.026 48.148 1.00 0.00 H new ATOM 692 N TYR A 46 26.092 29.237 45.022 1.00 0.00 N ATOM 693 CA TYR A 46 27.055 28.162 45.229 1.00 0.00 C ATOM 694 C TYR A 46 26.388 26.797 45.081 1.00 0.00 C ATOM 695 O TYR A 46 27.033 25.815 44.714 1.00 0.00 O ATOM 696 CB TYR A 46 27.697 28.282 46.612 1.00 0.00 C ATOM 697 CG TYR A 46 28.927 29.160 46.635 1.00 0.00 C ATOM 698 CD1 TYR A 46 29.992 28.920 45.776 1.00 0.00 C ATOM 699 CD2 TYR A 46 29.025 30.230 47.516 1.00 0.00 C ATOM 700 CE1 TYR A 46 31.119 29.719 45.794 1.00 0.00 C ATOM 701 CE2 TYR A 46 30.147 31.035 47.540 1.00 0.00 C ATOM 702 CZ TYR A 46 31.191 30.776 46.677 1.00 0.00 C ATOM 703 OH TYR A 46 32.311 31.575 46.698 1.00 0.00 O ATOM 0 H TYR A 46 26.031 29.903 45.792 1.00 0.00 H new ATOM 0 HA TYR A 46 27.830 28.252 44.468 1.00 0.00 H new ATOM 0 HB2 TYR A 46 26.962 28.682 47.311 1.00 0.00 H new ATOM 0 HB3 TYR A 46 27.965 27.287 46.966 1.00 0.00 H new ATOM 0 HD1 TYR A 46 29.938 28.094 45.082 1.00 0.00 H new ATOM 0 HD2 TYR A 46 28.210 30.436 48.194 1.00 0.00 H new ATOM 0 HE1 TYR A 46 31.939 29.517 45.121 1.00 0.00 H new ATOM 0 HE2 TYR A 46 30.206 31.863 48.231 1.00 0.00 H new ATOM 0 HH TYR A 46 32.201 32.274 47.376 1.00 0.00 H new ATOM 713 N SER A 47 25.092 26.745 45.371 1.00 0.00 N ATOM 714 CA SER A 47 24.337 25.502 45.274 1.00 0.00 C ATOM 715 C SER A 47 24.492 24.878 43.890 1.00 0.00 C ATOM 716 O SER A 47 24.522 23.656 43.749 1.00 0.00 O ATOM 717 CB SER A 47 22.857 25.755 45.569 1.00 0.00 C ATOM 718 OG SER A 47 22.198 26.301 44.440 1.00 0.00 O ATOM 0 H SER A 47 24.543 27.549 45.675 1.00 0.00 H new ATOM 0 HA SER A 47 24.734 24.806 46.013 1.00 0.00 H new ATOM 0 HB2 SER A 47 22.376 24.821 45.858 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.763 26.437 46.414 1.00 0.00 H new ATOM 0 HG SER A 47 21.935 25.578 43.833 1.00 0.00 H new ATOM 724 N GLU A 48 24.590 25.728 42.873 1.00 0.00 N ATOM 725 CA GLU A 48 24.741 25.260 41.500 1.00 0.00 C ATOM 726 C GLU A 48 26.215 25.155 41.120 1.00 0.00 C ATOM 727 O GLU A 48 26.588 24.370 40.248 1.00 0.00 O ATOM 728 CB GLU A 48 24.021 26.203 40.534 1.00 0.00 C ATOM 729 CG GLU A 48 22.603 25.768 40.202 1.00 0.00 C ATOM 730 CD GLU A 48 21.599 26.202 41.253 1.00 0.00 C ATOM 731 OE1 GLU A 48 21.288 27.410 41.314 1.00 0.00 O ATOM 732 OE2 GLU A 48 21.123 25.333 42.013 1.00 0.00 O ATOM 0 H GLU A 48 24.568 26.743 42.973 1.00 0.00 H new ATOM 0 HA GLU A 48 24.294 24.269 41.430 1.00 0.00 H new ATOM 0 HB2 GLU A 48 23.993 27.202 40.968 1.00 0.00 H new ATOM 0 HB3 GLU A 48 24.596 26.272 39.611 1.00 0.00 H new ATOM 0 HG2 GLU A 48 22.316 26.184 39.236 1.00 0.00 H new ATOM 0 HG3 GLU A 48 22.574 24.683 40.103 1.00 0.00 H new ATOM 739 N PHE A 49 27.049 25.951 41.781 1.00 0.00 N ATOM 740 CA PHE A 49 28.482 25.949 41.512 1.00 0.00 C ATOM 741 C PHE A 49 29.046 24.533 41.580 1.00 0.00 C ATOM 742 O PHE A 49 28.843 23.817 42.561 1.00 0.00 O ATOM 743 CB PHE A 49 29.211 26.849 42.513 1.00 0.00 C ATOM 744 CG PHE A 49 30.707 26.755 42.423 1.00 0.00 C ATOM 745 CD1 PHE A 49 31.387 27.318 41.355 1.00 0.00 C ATOM 746 CD2 PHE A 49 31.434 26.104 43.407 1.00 0.00 C ATOM 747 CE1 PHE A 49 32.764 27.235 41.270 1.00 0.00 C ATOM 748 CE2 PHE A 49 32.811 26.017 43.327 1.00 0.00 C ATOM 749 CZ PHE A 49 33.477 26.582 42.257 1.00 0.00 C ATOM 0 H PHE A 49 26.757 26.606 42.507 1.00 0.00 H new ATOM 0 HA PHE A 49 28.638 26.335 40.505 1.00 0.00 H new ATOM 0 HB2 PHE A 49 28.909 27.883 42.347 1.00 0.00 H new ATOM 0 HB3 PHE A 49 28.898 26.584 43.523 1.00 0.00 H new ATOM 0 HD1 PHE A 49 30.834 27.828 40.580 1.00 0.00 H new ATOM 0 HD2 PHE A 49 30.919 25.660 44.246 1.00 0.00 H new ATOM 0 HE1 PHE A 49 33.282 27.680 40.433 1.00 0.00 H new ATOM 0 HE2 PHE A 49 33.366 25.507 44.101 1.00 0.00 H new ATOM 0 HZ PHE A 49 34.553 26.514 42.192 1.00 0.00 H new ATOM 759 N LYS A 50 29.756 24.135 40.529 1.00 0.00 N ATOM 760 CA LYS A 50 30.351 22.805 40.467 1.00 0.00 C ATOM 761 C LYS A 50 31.873 22.891 40.430 1.00 0.00 C ATOM 762 O LYS A 50 32.487 22.753 39.373 1.00 0.00 O ATOM 763 CB LYS A 50 29.842 22.053 39.235 1.00 0.00 C ATOM 764 CG LYS A 50 28.334 22.113 39.066 1.00 0.00 C ATOM 765 CD LYS A 50 27.614 21.585 40.295 1.00 0.00 C ATOM 766 CE LYS A 50 27.953 20.126 40.557 1.00 0.00 C ATOM 767 NZ LYS A 50 26.843 19.414 41.248 1.00 0.00 N ATOM 0 H LYS A 50 29.933 24.715 39.709 1.00 0.00 H new ATOM 0 HA LYS A 50 30.057 22.261 41.365 1.00 0.00 H new ATOM 0 HB2 LYS A 50 30.316 22.468 38.345 1.00 0.00 H new ATOM 0 HB3 LYS A 50 30.150 21.010 39.303 1.00 0.00 H new ATOM 0 HG2 LYS A 50 28.029 23.142 38.879 1.00 0.00 H new ATOM 0 HG3 LYS A 50 28.041 21.530 38.193 1.00 0.00 H new ATOM 0 HD2 LYS A 50 27.887 22.184 41.163 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.538 21.691 40.161 1.00 0.00 H new ATOM 0 HE2 LYS A 50 28.171 19.628 39.612 1.00 0.00 H new ATOM 0 HE3 LYS A 50 28.856 20.066 41.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 27.113 18.423 41.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 26.652 19.873 42.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 25.988 19.448 40.657 1.00 0.00 H new ATOM 781 N GLY A 51 32.477 23.120 41.593 1.00 0.00 N ATOM 782 CA GLY A 51 33.923 23.219 41.671 1.00 0.00 C ATOM 783 C GLY A 51 34.434 23.130 43.095 1.00 0.00 C ATOM 784 O GLY A 51 33.996 22.277 43.867 1.00 0.00 O ATOM 0 H GLY A 51 31.991 23.239 42.482 1.00 0.00 H new ATOM 0 HA2 GLY A 51 34.371 22.423 41.077 1.00 0.00 H new ATOM 0 HA3 GLY A 51 34.244 24.164 41.232 1.00 0.00 H new ATOM 788 N ASP A 52 35.364 24.012 43.444 1.00 0.00 N ATOM 789 CA ASP A 52 35.937 24.029 44.786 1.00 0.00 C ATOM 790 C ASP A 52 35.306 25.131 45.631 1.00 0.00 C ATOM 791 O ASP A 52 35.460 26.318 45.339 1.00 0.00 O ATOM 792 CB ASP A 52 37.451 24.227 44.714 1.00 0.00 C ATOM 793 CG ASP A 52 38.129 23.199 43.830 1.00 0.00 C ATOM 794 OD1 ASP A 52 37.993 21.990 44.113 1.00 0.00 O ATOM 795 OD2 ASP A 52 38.794 23.604 42.853 1.00 0.00 O ATOM 0 H ASP A 52 35.737 24.725 42.817 1.00 0.00 H new ATOM 0 HA ASP A 52 35.727 23.069 45.257 1.00 0.00 H new ATOM 0 HB2 ASP A 52 37.666 25.226 44.335 1.00 0.00 H new ATOM 0 HB3 ASP A 52 37.870 24.170 45.719 1.00 0.00 H new ATOM 800 N LEU A 53 34.595 24.731 46.680 1.00 0.00 N ATOM 801 CA LEU A 53 33.939 25.685 47.568 1.00 0.00 C ATOM 802 C LEU A 53 34.907 26.191 48.633 1.00 0.00 C ATOM 803 O LEU A 53 34.733 27.282 49.174 1.00 0.00 O ATOM 804 CB LEU A 53 32.723 25.039 48.234 1.00 0.00 C ATOM 805 CG LEU A 53 31.446 25.879 48.258 1.00 0.00 C ATOM 806 CD1 LEU A 53 31.712 27.237 48.888 1.00 0.00 C ATOM 807 CD2 LEU A 53 30.888 26.041 46.851 1.00 0.00 C ATOM 0 H LEU A 53 34.458 23.753 46.936 1.00 0.00 H new ATOM 0 HA LEU A 53 33.609 26.534 46.969 1.00 0.00 H new ATOM 0 HB2 LEU A 53 32.508 24.102 47.721 1.00 0.00 H new ATOM 0 HB3 LEU A 53 32.987 24.787 49.261 1.00 0.00 H new ATOM 0 HG LEU A 53 30.704 25.360 48.864 1.00 0.00 H new ATOM 0 HD11 LEU A 53 30.792 27.821 48.896 1.00 0.00 H new ATOM 0 HD12 LEU A 53 32.065 27.101 49.910 1.00 0.00 H new ATOM 0 HD13 LEU A 53 32.471 27.764 48.310 1.00 0.00 H new ATOM 0 HD21 LEU A 53 29.979 26.642 46.887 1.00 0.00 H new ATOM 0 HD22 LEU A 53 31.626 26.538 46.222 1.00 0.00 H new ATOM 0 HD23 LEU A 53 30.658 25.060 46.435 1.00 0.00 H new ATOM 819 N GLU A 54 35.928 25.392 48.925 1.00 0.00 N ATOM 820 CA GLU A 54 36.925 25.761 49.924 1.00 0.00 C ATOM 821 C GLU A 54 38.078 26.529 49.285 1.00 0.00 C ATOM 822 O GLU A 54 38.591 27.491 49.857 1.00 0.00 O ATOM 823 CB GLU A 54 37.458 24.513 50.630 1.00 0.00 C ATOM 824 CG GLU A 54 38.130 23.524 49.692 1.00 0.00 C ATOM 825 CD GLU A 54 37.879 22.082 50.087 1.00 0.00 C ATOM 826 OE1 GLU A 54 36.726 21.756 50.441 1.00 0.00 O ATOM 827 OE2 GLU A 54 38.834 21.279 50.043 1.00 0.00 O ATOM 0 H GLU A 54 36.087 24.486 48.485 1.00 0.00 H new ATOM 0 HA GLU A 54 36.444 26.407 50.658 1.00 0.00 H new ATOM 0 HB2 GLU A 54 38.171 24.816 51.397 1.00 0.00 H new ATOM 0 HB3 GLU A 54 36.634 24.015 51.140 1.00 0.00 H new ATOM 0 HG2 GLU A 54 37.767 23.687 48.677 1.00 0.00 H new ATOM 0 HG3 GLU A 54 39.204 23.712 49.680 1.00 0.00 H new ATOM 834 N THR A 55 38.480 26.097 48.093 1.00 0.00 N ATOM 835 CA THR A 55 39.573 26.742 47.376 1.00 0.00 C ATOM 836 C THR A 55 39.061 27.488 46.149 1.00 0.00 C ATOM 837 O THR A 55 38.999 26.930 45.052 1.00 0.00 O ATOM 838 CB THR A 55 40.636 25.719 46.934 1.00 0.00 C ATOM 839 OG1 THR A 55 40.056 24.768 46.034 1.00 0.00 O ATOM 840 CG2 THR A 55 41.222 24.994 48.137 1.00 0.00 C ATOM 0 H THR A 55 38.065 25.304 47.604 1.00 0.00 H new ATOM 0 HA THR A 55 40.028 27.452 48.066 1.00 0.00 H new ATOM 0 HB THR A 55 41.438 26.256 46.427 1.00 0.00 H new ATOM 0 HG1 THR A 55 39.759 25.227 45.221 1.00 0.00 H new ATOM 0 HG21 THR A 55 41.970 24.277 47.800 1.00 0.00 H new ATOM 0 HG22 THR A 55 41.688 25.717 48.806 1.00 0.00 H new ATOM 0 HG23 THR A 55 40.428 24.468 48.667 1.00 0.00 H new ATOM 848 N LEU A 56 38.696 28.751 46.340 1.00 0.00 N ATOM 849 CA LEU A 56 38.189 29.574 45.247 1.00 0.00 C ATOM 850 C LEU A 56 38.436 31.054 45.521 1.00 0.00 C ATOM 851 O LEU A 56 37.511 31.796 45.852 1.00 0.00 O ATOM 852 CB LEU A 56 36.694 29.323 45.045 1.00 0.00 C ATOM 853 CG LEU A 56 36.028 30.115 43.918 1.00 0.00 C ATOM 854 CD1 LEU A 56 36.466 29.585 42.562 1.00 0.00 C ATOM 855 CD2 LEU A 56 34.513 30.058 44.051 1.00 0.00 C ATOM 0 H LEU A 56 38.742 29.227 47.241 1.00 0.00 H new ATOM 0 HA LEU A 56 38.723 29.298 44.338 1.00 0.00 H new ATOM 0 HB2 LEU A 56 36.547 28.260 44.852 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.178 29.552 45.977 1.00 0.00 H new ATOM 0 HG LEU A 56 36.341 31.156 43.996 1.00 0.00 H new ATOM 0 HD11 LEU A 56 35.982 30.160 41.773 1.00 0.00 H new ATOM 0 HD12 LEU A 56 37.548 29.678 42.467 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.182 28.536 42.472 1.00 0.00 H new ATOM 0 HD21 LEU A 56 34.055 30.626 43.242 1.00 0.00 H new ATOM 0 HD22 LEU A 56 34.182 29.021 43.999 1.00 0.00 H new ATOM 0 HD23 LEU A 56 34.215 30.486 45.008 1.00 0.00 H new ATOM 867 N GLN A 57 39.688 31.476 45.380 1.00 0.00 N ATOM 868 CA GLN A 57 40.056 32.868 45.610 1.00 0.00 C ATOM 869 C GLN A 57 41.284 33.250 44.791 1.00 0.00 C ATOM 870 O GLN A 57 42.041 32.397 44.327 1.00 0.00 O ATOM 871 CB GLN A 57 40.325 33.107 47.097 1.00 0.00 C ATOM 872 CG GLN A 57 39.167 33.768 47.827 1.00 0.00 C ATOM 873 CD GLN A 57 38.668 32.945 48.997 1.00 0.00 C ATOM 874 OE1 GLN A 57 39.219 33.009 50.096 1.00 0.00 O ATOM 875 NE2 GLN A 57 37.618 32.164 48.768 1.00 0.00 N ATOM 0 H GLN A 57 40.465 30.874 45.108 1.00 0.00 H new ATOM 0 HA GLN A 57 39.222 33.495 45.293 1.00 0.00 H new ATOM 0 HB2 GLN A 57 40.548 32.153 47.575 1.00 0.00 H new ATOM 0 HB3 GLN A 57 41.213 33.731 47.201 1.00 0.00 H new ATOM 0 HG2 GLN A 57 39.481 34.748 48.185 1.00 0.00 H new ATOM 0 HG3 GLN A 57 38.347 33.932 47.127 1.00 0.00 H new ATOM 0 HE21 GLN A 57 37.192 32.141 47.842 1.00 0.00 H new ATOM 0 HE22 GLN A 57 37.238 31.587 49.519 1.00 0.00 H new ATOM 884 N PRO A 58 41.489 34.563 44.608 1.00 0.00 N ATOM 885 CA PRO A 58 40.595 35.588 45.155 1.00 0.00 C ATOM 886 C PRO A 58 39.237 35.603 44.461 1.00 0.00 C ATOM 887 O PRO A 58 38.272 36.165 44.977 1.00 0.00 O ATOM 888 CB PRO A 58 41.346 36.894 44.888 1.00 0.00 C ATOM 889 CG PRO A 58 42.222 36.595 43.720 1.00 0.00 C ATOM 890 CD PRO A 58 42.609 35.148 43.852 1.00 0.00 C ATOM 0 HA PRO A 58 40.374 35.415 46.208 1.00 0.00 H new ATOM 0 HB2 PRO A 58 40.657 37.709 44.668 1.00 0.00 H new ATOM 0 HB3 PRO A 58 41.932 37.198 45.755 1.00 0.00 H new ATOM 0 HG2 PRO A 58 41.696 36.774 42.782 1.00 0.00 H new ATOM 0 HG3 PRO A 58 43.103 37.236 43.719 1.00 0.00 H new ATOM 0 HD2 PRO A 58 42.728 34.673 42.878 1.00 0.00 H new ATOM 0 HD3 PRO A 58 43.555 35.032 44.381 1.00 0.00 H new ATOM 898 N GLY A 59 39.170 34.981 43.288 1.00 0.00 N ATOM 899 CA GLY A 59 37.926 34.934 42.543 1.00 0.00 C ATOM 900 C GLY A 59 37.930 33.860 41.473 1.00 0.00 C ATOM 901 O GLY A 59 36.967 33.105 41.339 1.00 0.00 O ATOM 0 H GLY A 59 39.955 34.509 42.840 1.00 0.00 H new ATOM 0 HA2 GLY A 59 37.101 34.753 43.232 1.00 0.00 H new ATOM 0 HA3 GLY A 59 37.747 35.904 42.079 1.00 0.00 H new ATOM 905 N ASP A 60 39.015 33.792 40.710 1.00 0.00 N ATOM 906 CA ASP A 60 39.140 32.802 39.646 1.00 0.00 C ATOM 907 C ASP A 60 38.070 33.014 38.579 1.00 0.00 C ATOM 908 O ASP A 60 37.079 33.706 38.808 1.00 0.00 O ATOM 909 CB ASP A 60 39.033 31.389 40.220 1.00 0.00 C ATOM 910 CG ASP A 60 40.334 30.618 40.106 1.00 0.00 C ATOM 911 OD1 ASP A 60 41.331 31.043 40.727 1.00 0.00 O ATOM 912 OD2 ASP A 60 40.356 29.591 39.396 1.00 0.00 O ATOM 0 H ASP A 60 39.820 34.410 40.808 1.00 0.00 H new ATOM 0 HA ASP A 60 40.119 32.924 39.183 1.00 0.00 H new ATOM 0 HB2 ASP A 60 38.739 31.447 41.268 1.00 0.00 H new ATOM 0 HB3 ASP A 60 38.245 30.846 39.697 1.00 0.00 H new ATOM 917 N ASP A 61 38.279 32.413 37.412 1.00 0.00 N ATOM 918 CA ASP A 61 37.333 32.535 36.309 1.00 0.00 C ATOM 919 C ASP A 61 36.279 31.434 36.373 1.00 0.00 C ATOM 920 O ASP A 61 36.561 30.315 36.800 1.00 0.00 O ATOM 921 CB ASP A 61 38.069 32.477 34.969 1.00 0.00 C ATOM 922 CG ASP A 61 39.000 33.657 34.768 1.00 0.00 C ATOM 923 OD1 ASP A 61 39.828 33.918 35.666 1.00 0.00 O ATOM 924 OD2 ASP A 61 38.900 34.319 33.714 1.00 0.00 O ATOM 0 H ASP A 61 39.095 31.837 37.206 1.00 0.00 H new ATOM 0 HA ASP A 61 36.831 33.499 36.398 1.00 0.00 H new ATOM 0 HB2 ASP A 61 38.642 31.552 34.913 1.00 0.00 H new ATOM 0 HB3 ASP A 61 37.341 32.450 34.159 1.00 0.00 H new ATOM 929 N VAL A 62 35.063 31.761 35.946 1.00 0.00 N ATOM 930 CA VAL A 62 33.967 30.800 35.955 1.00 0.00 C ATOM 931 C VAL A 62 33.118 30.924 34.695 1.00 0.00 C ATOM 932 O VAL A 62 33.040 31.993 34.090 1.00 0.00 O ATOM 933 CB VAL A 62 33.065 30.989 37.189 1.00 0.00 C ATOM 934 CG1 VAL A 62 33.764 30.487 38.443 1.00 0.00 C ATOM 935 CG2 VAL A 62 32.666 32.449 37.339 1.00 0.00 C ATOM 0 H VAL A 62 34.813 32.683 35.590 1.00 0.00 H new ATOM 0 HA VAL A 62 34.416 29.808 35.991 1.00 0.00 H new ATOM 0 HB VAL A 62 32.158 30.401 37.048 1.00 0.00 H new ATOM 0 HG11 VAL A 62 33.112 30.629 39.305 1.00 0.00 H new ATOM 0 HG12 VAL A 62 33.994 29.427 38.332 1.00 0.00 H new ATOM 0 HG13 VAL A 62 34.688 31.045 38.592 1.00 0.00 H new ATOM 0 HG21 VAL A 62 32.029 32.564 38.216 1.00 0.00 H new ATOM 0 HG22 VAL A 62 33.561 33.060 37.458 1.00 0.00 H new ATOM 0 HG23 VAL A 62 32.122 32.771 36.451 1.00 0.00 H new ATOM 945 N GLU A 63 32.482 29.823 34.305 1.00 0.00 N ATOM 946 CA GLU A 63 31.639 29.810 33.116 1.00 0.00 C ATOM 947 C GLU A 63 30.180 29.553 33.486 1.00 0.00 C ATOM 948 O GLU A 63 29.884 29.029 34.560 1.00 0.00 O ATOM 949 CB GLU A 63 32.122 28.741 32.133 1.00 0.00 C ATOM 950 CG GLU A 63 31.789 29.053 30.683 1.00 0.00 C ATOM 951 CD GLU A 63 30.908 27.995 30.047 1.00 0.00 C ATOM 952 OE1 GLU A 63 31.371 26.845 29.901 1.00 0.00 O ATOM 953 OE2 GLU A 63 29.754 28.319 29.695 1.00 0.00 O ATOM 0 H GLU A 63 32.535 28.930 34.795 1.00 0.00 H new ATOM 0 HA GLU A 63 31.709 30.789 32.642 1.00 0.00 H new ATOM 0 HB2 GLU A 63 33.202 28.628 32.233 1.00 0.00 H new ATOM 0 HB3 GLU A 63 31.675 27.784 32.402 1.00 0.00 H new ATOM 0 HG2 GLU A 63 31.287 30.019 30.629 1.00 0.00 H new ATOM 0 HG3 GLU A 63 32.714 29.142 30.113 1.00 0.00 H new ATOM 960 N PHE A 64 29.274 29.928 32.590 1.00 0.00 N ATOM 961 CA PHE A 64 27.846 29.741 32.822 1.00 0.00 C ATOM 962 C PHE A 64 27.056 29.929 31.530 1.00 0.00 C ATOM 963 O PHE A 64 27.603 30.345 30.508 1.00 0.00 O ATOM 964 CB PHE A 64 27.348 30.722 33.885 1.00 0.00 C ATOM 965 CG PHE A 64 27.688 32.154 33.586 1.00 0.00 C ATOM 966 CD1 PHE A 64 26.902 32.900 32.721 1.00 0.00 C ATOM 967 CD2 PHE A 64 28.792 32.755 34.169 1.00 0.00 C ATOM 968 CE1 PHE A 64 27.213 34.218 32.444 1.00 0.00 C ATOM 969 CE2 PHE A 64 29.107 34.072 33.895 1.00 0.00 C ATOM 970 CZ PHE A 64 28.316 34.805 33.032 1.00 0.00 C ATOM 0 H PHE A 64 29.503 30.363 31.696 1.00 0.00 H new ATOM 0 HA PHE A 64 27.691 28.722 33.177 1.00 0.00 H new ATOM 0 HB2 PHE A 64 26.266 30.626 33.978 1.00 0.00 H new ATOM 0 HB3 PHE A 64 27.777 30.449 34.849 1.00 0.00 H new ATOM 0 HD1 PHE A 64 26.038 32.446 32.259 1.00 0.00 H new ATOM 0 HD2 PHE A 64 29.414 32.187 34.846 1.00 0.00 H new ATOM 0 HE1 PHE A 64 26.594 34.789 31.768 1.00 0.00 H new ATOM 0 HE2 PHE A 64 29.971 34.528 34.355 1.00 0.00 H new ATOM 0 HZ PHE A 64 28.560 35.835 32.818 1.00 0.00 H new ATOM 980 N THR A 65 25.764 29.618 31.583 1.00 0.00 N ATOM 981 CA THR A 65 24.898 29.750 30.419 1.00 0.00 C ATOM 982 C THR A 65 23.600 30.465 30.777 1.00 0.00 C ATOM 983 O THR A 65 22.847 30.009 31.637 1.00 0.00 O ATOM 984 CB THR A 65 24.563 28.376 29.809 1.00 0.00 C ATOM 985 OG1 THR A 65 25.769 27.670 29.500 1.00 0.00 O ATOM 986 CG2 THR A 65 23.724 28.533 28.549 1.00 0.00 C ATOM 0 H THR A 65 25.295 29.273 32.420 1.00 0.00 H new ATOM 0 HA THR A 65 25.444 30.342 29.684 1.00 0.00 H new ATOM 0 HB THR A 65 23.988 27.809 30.541 1.00 0.00 H new ATOM 0 HG1 THR A 65 25.547 26.797 29.114 1.00 0.00 H new ATOM 0 HG21 THR A 65 23.500 27.549 28.136 1.00 0.00 H new ATOM 0 HG22 THR A 65 22.793 29.045 28.793 1.00 0.00 H new ATOM 0 HG23 THR A 65 24.277 29.118 27.814 1.00 0.00 H new ATOM 994 N ILE A 66 23.345 31.587 30.112 1.00 0.00 N ATOM 995 CA ILE A 66 22.137 32.363 30.360 1.00 0.00 C ATOM 996 C ILE A 66 20.962 31.825 29.552 1.00 0.00 C ATOM 997 O ILE A 66 21.091 31.542 28.360 1.00 0.00 O ATOM 998 CB ILE A 66 22.343 33.851 30.018 1.00 0.00 C ATOM 999 CG1 ILE A 66 23.628 34.372 30.664 1.00 0.00 C ATOM 1000 CG2 ILE A 66 21.145 34.670 30.473 1.00 0.00 C ATOM 1001 CD1 ILE A 66 23.646 34.236 32.170 1.00 0.00 C ATOM 0 H ILE A 66 23.959 31.978 29.398 1.00 0.00 H new ATOM 0 HA ILE A 66 21.916 32.270 31.423 1.00 0.00 H new ATOM 0 HB ILE A 66 22.436 33.950 28.937 1.00 0.00 H new ATOM 0 HG12 ILE A 66 24.479 33.832 30.248 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.758 35.422 30.401 1.00 0.00 H new ATOM 0 HG21 ILE A 66 21.306 35.719 30.224 1.00 0.00 H new ATOM 0 HG22 ILE A 66 20.247 34.311 29.970 1.00 0.00 H new ATOM 0 HG23 ILE A 66 21.022 34.567 31.551 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.587 34.625 32.559 1.00 0.00 H new ATOM 0 HD12 ILE A 66 22.816 34.799 32.596 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.548 33.185 32.442 1.00 0.00 H new ATOM 1013 N LYS A 67 19.814 31.687 30.206 1.00 0.00 N ATOM 1014 CA LYS A 67 18.613 31.186 29.548 1.00 0.00 C ATOM 1015 C LYS A 67 17.519 32.249 29.529 1.00 0.00 C ATOM 1016 O LYS A 67 17.694 33.343 30.067 1.00 0.00 O ATOM 1017 CB LYS A 67 18.105 29.929 30.258 1.00 0.00 C ATOM 1018 CG LYS A 67 19.192 28.903 30.531 1.00 0.00 C ATOM 1019 CD LYS A 67 19.723 28.298 29.242 1.00 0.00 C ATOM 1020 CE LYS A 67 19.397 26.815 29.148 1.00 0.00 C ATOM 1021 NZ LYS A 67 17.979 26.583 28.755 1.00 0.00 N ATOM 0 H LYS A 67 19.690 31.915 31.192 1.00 0.00 H new ATOM 0 HA LYS A 67 18.870 30.936 28.519 1.00 0.00 H new ATOM 0 HB2 LYS A 67 17.643 30.217 31.203 1.00 0.00 H new ATOM 0 HB3 LYS A 67 17.326 29.468 29.650 1.00 0.00 H new ATOM 0 HG2 LYS A 67 20.009 29.374 31.077 1.00 0.00 H new ATOM 0 HG3 LYS A 67 18.796 28.113 31.169 1.00 0.00 H new ATOM 0 HD2 LYS A 67 19.292 28.821 28.388 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.803 28.439 29.190 1.00 0.00 H new ATOM 0 HE2 LYS A 67 20.057 26.343 28.420 1.00 0.00 H new ATOM 0 HE3 LYS A 67 19.590 26.339 30.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.796 25.561 28.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.348 27.011 29.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.801 27.015 27.826 1.00 0.00 H new ATOM 1129 N VAL A 74 20.052 34.716 35.597 1.00 0.00 N ATOM 1130 CA VAL A 74 20.871 34.000 36.568 1.00 0.00 C ATOM 1131 C VAL A 74 21.675 32.892 35.898 1.00 0.00 C ATOM 1132 O VAL A 74 21.199 32.241 34.968 1.00 0.00 O ATOM 1133 CB VAL A 74 20.008 33.388 37.688 1.00 0.00 C ATOM 1134 CG1 VAL A 74 19.377 34.483 38.534 1.00 0.00 C ATOM 1135 CG2 VAL A 74 18.943 32.475 37.100 1.00 0.00 C ATOM 0 HA VAL A 74 21.555 34.729 37.004 1.00 0.00 H new ATOM 0 HB VAL A 74 20.651 32.789 38.333 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.771 34.032 39.320 1.00 0.00 H new ATOM 0 HG12 VAL A 74 20.161 35.092 38.984 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.746 35.111 37.905 1.00 0.00 H new ATOM 0 HG21 VAL A 74 18.342 32.051 37.905 1.00 0.00 H new ATOM 0 HG22 VAL A 74 18.301 33.048 36.431 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.421 31.670 36.542 1.00 0.00 H new ATOM 1145 N ALA A 75 22.897 32.682 36.377 1.00 0.00 N ATOM 1146 CA ALA A 75 23.767 31.651 35.826 1.00 0.00 C ATOM 1147 C ALA A 75 23.501 30.300 36.483 1.00 0.00 C ATOM 1148 O ALA A 75 23.707 30.131 37.685 1.00 0.00 O ATOM 1149 CB ALA A 75 25.227 32.045 35.997 1.00 0.00 C ATOM 0 H ALA A 75 23.307 33.213 37.146 1.00 0.00 H new ATOM 0 HA ALA A 75 23.550 31.558 34.762 1.00 0.00 H new ATOM 0 HB1 ALA A 75 25.865 31.266 35.581 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.414 32.984 35.476 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.449 32.168 37.057 1.00 0.00 H new ATOM 1155 N THR A 76 23.042 29.340 35.686 1.00 0.00 N ATOM 1156 CA THR A 76 22.746 28.005 36.190 1.00 0.00 C ATOM 1157 C THR A 76 23.910 27.053 35.940 1.00 0.00 C ATOM 1158 O THR A 76 24.514 27.064 34.868 1.00 0.00 O ATOM 1159 CB THR A 76 21.475 27.427 35.538 1.00 0.00 C ATOM 1160 OG1 THR A 76 20.704 28.481 34.951 1.00 0.00 O ATOM 1161 CG2 THR A 76 20.632 26.684 36.563 1.00 0.00 C ATOM 0 H THR A 76 22.867 29.463 34.689 1.00 0.00 H new ATOM 0 HA THR A 76 22.583 28.101 37.263 1.00 0.00 H new ATOM 0 HB THR A 76 21.778 26.724 34.762 1.00 0.00 H new ATOM 0 HG1 THR A 76 19.899 28.106 34.537 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.740 26.285 36.080 1.00 0.00 H new ATOM 0 HG22 THR A 76 21.213 25.865 36.987 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.338 27.369 37.358 1.00 0.00 H new ATOM 1169 N ASP A 77 24.218 26.229 36.936 1.00 0.00 N ATOM 1170 CA ASP A 77 25.309 25.268 36.823 1.00 0.00 C ATOM 1171 C ASP A 77 26.611 25.966 36.440 1.00 0.00 C ATOM 1172 O ASP A 77 27.079 25.850 35.308 1.00 0.00 O ATOM 1173 CB ASP A 77 24.967 24.196 35.787 1.00 0.00 C ATOM 1174 CG ASP A 77 25.785 22.932 35.971 1.00 0.00 C ATOM 1175 OD1 ASP A 77 25.611 22.259 37.009 1.00 0.00 O ATOM 1176 OD2 ASP A 77 26.597 22.616 35.077 1.00 0.00 O ATOM 0 H ASP A 77 23.728 26.207 37.830 1.00 0.00 H new ATOM 0 HA ASP A 77 25.444 24.793 37.795 1.00 0.00 H new ATOM 0 HB2 ASP A 77 23.907 23.953 35.856 1.00 0.00 H new ATOM 0 HB3 ASP A 77 25.138 24.594 34.787 1.00 0.00 H new ATOM 1181 N VAL A 78 27.189 26.691 37.392 1.00 0.00 N ATOM 1182 CA VAL A 78 28.437 27.408 37.155 1.00 0.00 C ATOM 1183 C VAL A 78 29.639 26.481 37.296 1.00 0.00 C ATOM 1184 O VAL A 78 29.784 25.785 38.301 1.00 0.00 O ATOM 1185 CB VAL A 78 28.598 28.591 38.128 1.00 0.00 C ATOM 1186 CG1 VAL A 78 29.930 29.290 37.903 1.00 0.00 C ATOM 1187 CG2 VAL A 78 27.441 29.567 37.975 1.00 0.00 C ATOM 0 H VAL A 78 26.814 26.798 38.334 1.00 0.00 H new ATOM 0 HA VAL A 78 28.394 27.789 36.135 1.00 0.00 H new ATOM 0 HB VAL A 78 28.586 28.205 39.147 1.00 0.00 H new ATOM 0 HG11 VAL A 78 30.026 30.123 38.599 1.00 0.00 H new ATOM 0 HG12 VAL A 78 30.744 28.584 38.068 1.00 0.00 H new ATOM 0 HG13 VAL A 78 29.976 29.665 36.880 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.571 30.397 38.670 1.00 0.00 H new ATOM 0 HG22 VAL A 78 27.419 29.949 36.954 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.503 29.056 38.191 1.00 0.00 H new ATOM 1197 N ARG A 79 30.498 26.477 36.283 1.00 0.00 N ATOM 1198 CA ARG A 79 31.688 25.634 36.294 1.00 0.00 C ATOM 1199 C ARG A 79 32.954 26.480 36.192 1.00 0.00 C ATOM 1200 O ARG A 79 33.077 27.329 35.308 1.00 0.00 O ATOM 1201 CB ARG A 79 31.639 24.631 35.140 1.00 0.00 C ATOM 1202 CG ARG A 79 31.125 23.259 35.548 1.00 0.00 C ATOM 1203 CD ARG A 79 30.613 22.478 34.348 1.00 0.00 C ATOM 1204 NE ARG A 79 31.656 21.653 33.745 1.00 0.00 N ATOM 1205 CZ ARG A 79 31.456 20.866 32.695 1.00 0.00 C ATOM 1206 NH1 ARG A 79 30.257 20.796 32.133 1.00 0.00 N ATOM 1207 NH2 ARG A 79 32.456 20.146 32.203 1.00 0.00 N ATOM 0 H ARG A 79 30.393 27.048 35.444 1.00 0.00 H new ATOM 0 HA ARG A 79 31.709 25.091 37.239 1.00 0.00 H new ATOM 0 HB2 ARG A 79 31.001 25.029 34.351 1.00 0.00 H new ATOM 0 HB3 ARG A 79 32.639 24.525 34.719 1.00 0.00 H new ATOM 0 HG2 ARG A 79 31.924 22.699 36.034 1.00 0.00 H new ATOM 0 HG3 ARG A 79 30.324 23.372 36.279 1.00 0.00 H new ATOM 0 HD2 ARG A 79 29.782 21.843 34.656 1.00 0.00 H new ATOM 0 HD3 ARG A 79 30.224 23.172 33.603 1.00 0.00 H new ATOM 0 HE ARG A 79 32.590 21.683 34.153 1.00 0.00 H new ATOM 0 HH11 ARG A 79 29.485 21.348 32.507 1.00 0.00 H new ATOM 0 HH12 ARG A 79 30.106 20.190 31.326 1.00 0.00 H new ATOM 0 HH21 ARG A 79 33.380 20.197 32.632 1.00 0.00 H new ATOM 0 HH22 ARG A 79 32.301 19.542 31.396 1.00 0.00 H new ATOM 1221 N LEU A 80 33.892 26.244 37.103 1.00 0.00 N ATOM 1222 CA LEU A 80 35.149 26.984 37.117 1.00 0.00 C ATOM 1223 C LEU A 80 35.849 26.893 35.765 1.00 0.00 C ATOM 1224 O LEU A 80 35.666 25.927 35.022 1.00 0.00 O ATOM 1225 CB LEU A 80 36.067 26.448 38.217 1.00 0.00 C ATOM 1226 CG LEU A 80 36.185 27.312 39.473 1.00 0.00 C ATOM 1227 CD1 LEU A 80 36.946 26.571 40.561 1.00 0.00 C ATOM 1228 CD2 LEU A 80 36.866 28.634 39.149 1.00 0.00 C ATOM 0 H LEU A 80 33.806 25.546 37.842 1.00 0.00 H new ATOM 0 HA LEU A 80 34.924 28.031 37.319 1.00 0.00 H new ATOM 0 HB2 LEU A 80 35.710 25.461 38.511 1.00 0.00 H new ATOM 0 HB3 LEU A 80 37.064 26.314 37.797 1.00 0.00 H new ATOM 0 HG LEU A 80 35.181 27.524 39.841 1.00 0.00 H new ATOM 0 HD11 LEU A 80 37.020 27.201 41.447 1.00 0.00 H new ATOM 0 HD12 LEU A 80 36.418 25.652 40.813 1.00 0.00 H new ATOM 0 HD13 LEU A 80 37.947 26.328 40.204 1.00 0.00 H new ATOM 0 HD21 LEU A 80 36.941 29.236 40.055 1.00 0.00 H new ATOM 0 HD22 LEU A 80 37.865 28.442 38.757 1.00 0.00 H new ATOM 0 HD23 LEU A 80 36.280 29.172 38.404 1.00 0.00 H new ATOM 1240 N LEU A 81 36.654 27.903 35.452 1.00 0.00 N ATOM 1241 CA LEU A 81 37.385 27.936 34.190 1.00 0.00 C ATOM 1242 C LEU A 81 38.850 27.567 34.399 1.00 0.00 C ATOM 1243 O LEU A 81 39.386 27.655 35.504 1.00 0.00 O ATOM 1244 CB LEU A 81 37.283 29.325 33.556 1.00 0.00 C ATOM 1245 CG LEU A 81 36.018 29.599 32.742 1.00 0.00 C ATOM 1246 CD1 LEU A 81 35.965 31.057 32.313 1.00 0.00 C ATOM 1247 CD2 LEU A 81 35.953 28.682 31.530 1.00 0.00 C ATOM 0 H LEU A 81 36.817 28.710 36.055 1.00 0.00 H new ATOM 0 HA LEU A 81 36.937 27.203 33.520 1.00 0.00 H new ATOM 0 HB2 LEU A 81 37.350 30.070 34.349 1.00 0.00 H new ATOM 0 HB3 LEU A 81 38.147 29.471 32.908 1.00 0.00 H new ATOM 0 HG LEU A 81 35.153 29.395 33.373 1.00 0.00 H new ATOM 0 HD11 LEU A 81 35.058 31.233 31.735 1.00 0.00 H new ATOM 0 HD12 LEU A 81 35.963 31.696 33.196 1.00 0.00 H new ATOM 0 HD13 LEU A 81 36.836 31.288 31.700 1.00 0.00 H new ATOM 0 HD21 LEU A 81 35.046 28.892 30.963 1.00 0.00 H new ATOM 0 HD22 LEU A 81 36.824 28.853 30.897 1.00 0.00 H new ATOM 0 HD23 LEU A 81 35.942 27.643 31.860 1.00 0.00 H new ATOM 1259 N PRO A 82 39.515 27.144 33.314 1.00 0.00 N ATOM 1260 CA PRO A 82 40.927 26.755 33.352 1.00 0.00 C ATOM 1261 C PRO A 82 41.851 27.948 33.574 1.00 0.00 C ATOM 1262 O PRO A 82 41.391 29.077 33.744 1.00 0.00 O ATOM 1263 CB PRO A 82 41.165 26.145 31.969 1.00 0.00 C ATOM 1264 CG PRO A 82 40.141 26.780 31.093 1.00 0.00 C ATOM 1265 CD PRO A 82 38.938 27.014 31.965 1.00 0.00 C ATOM 0 HA PRO A 82 41.140 26.073 34.176 1.00 0.00 H new ATOM 0 HB2 PRO A 82 42.174 26.353 31.613 1.00 0.00 H new ATOM 0 HB3 PRO A 82 41.051 25.061 31.990 1.00 0.00 H new ATOM 0 HG2 PRO A 82 40.510 27.718 30.677 1.00 0.00 H new ATOM 0 HG3 PRO A 82 39.893 26.134 30.251 1.00 0.00 H new ATOM 0 HD2 PRO A 82 38.397 27.913 31.671 1.00 0.00 H new ATOM 0 HD3 PRO A 82 38.233 26.185 31.908 1.00 0.00 H new