USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 398 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 HIS : no HD1:sc= 0.6 K(o=0.93,f=-1.1) USER MOD Set 1.2: A 47 SER OG : rot -87:sc= 0.329 USER MOD Set 2.1: A 26 MET CE :methyl -178:sc= -0.409 (180deg=-0.355) USER MOD Set 2.2: A 46 TYR OH : rot 180:sc= -0.0756 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 24 CYS SG : rot 180:sc= -0.31 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 43:sc= 1.13 USER MOD Single : A 57 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.13) 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 28.788 32.120 28.201 1.00 0.00 N ATOM 272 CA CYS A 19 29.298 33.364 28.767 1.00 0.00 C ATOM 273 C CYS A 19 30.169 33.089 29.988 1.00 0.00 C ATOM 274 O CYS A 19 29.831 32.253 30.827 1.00 0.00 O ATOM 275 CB CYS A 19 28.140 34.287 29.148 1.00 0.00 C ATOM 276 SG CYS A 19 27.770 35.555 27.914 1.00 0.00 S ATOM 0 HA CYS A 19 29.910 33.855 28.011 1.00 0.00 H new ATOM 0 HB2 CYS A 19 27.247 33.683 29.312 1.00 0.00 H new ATOM 0 HB3 CYS A 19 28.374 34.774 30.095 1.00 0.00 H new ATOM 0 HG CYS A 19 26.775 36.284 28.325 1.00 0.00 H new ATOM 282 N GLN A 20 31.290 33.796 30.081 1.00 0.00 N ATOM 283 CA GLN A 20 32.210 33.626 31.199 1.00 0.00 C ATOM 284 C GLN A 20 32.658 34.978 31.745 1.00 0.00 C ATOM 285 O GLN A 20 32.470 36.011 31.105 1.00 0.00 O ATOM 286 CB GLN A 20 33.428 32.809 30.765 1.00 0.00 C ATOM 287 CG GLN A 20 34.400 33.583 29.889 1.00 0.00 C ATOM 288 CD GLN A 20 34.742 32.849 28.607 1.00 0.00 C ATOM 289 OE1 GLN A 20 33.860 32.514 27.816 1.00 0.00 O ATOM 290 NE2 GLN A 20 36.028 32.596 28.395 1.00 0.00 N ATOM 0 H GLN A 20 31.583 34.492 29.396 1.00 0.00 H new ATOM 0 HA GLN A 20 31.686 33.090 31.990 1.00 0.00 H new ATOM 0 HB2 GLN A 20 33.953 32.457 31.653 1.00 0.00 H new ATOM 0 HB3 GLN A 20 33.088 31.926 30.224 1.00 0.00 H new ATOM 0 HG2 GLN A 20 33.968 34.553 29.644 1.00 0.00 H new ATOM 0 HG3 GLN A 20 35.315 33.774 30.449 1.00 0.00 H new ATOM 0 HE21 GLN A 20 36.725 32.892 29.078 1.00 0.00 H new ATOM 0 HE22 GLN A 20 36.319 32.106 27.549 1.00 0.00 H new ATOM 299 N GLY A 21 33.252 34.962 32.935 1.00 0.00 N ATOM 300 CA GLY A 21 33.718 36.193 33.548 1.00 0.00 C ATOM 301 C GLY A 21 34.675 35.942 34.696 1.00 0.00 C ATOM 302 O GLY A 21 35.431 34.971 34.683 1.00 0.00 O ATOM 0 H GLY A 21 33.419 34.119 33.485 1.00 0.00 H new ATOM 0 HA2 GLY A 21 34.212 36.806 32.794 1.00 0.00 H new ATOM 0 HA3 GLY A 21 32.862 36.762 33.910 1.00 0.00 H new ATOM 306 N VAL A 22 34.644 36.822 35.692 1.00 0.00 N ATOM 307 CA VAL A 22 35.517 36.692 36.854 1.00 0.00 C ATOM 308 C VAL A 22 34.761 36.990 38.144 1.00 0.00 C ATOM 309 O VAL A 22 34.084 38.011 38.258 1.00 0.00 O ATOM 310 CB VAL A 22 36.730 37.635 36.753 1.00 0.00 C ATOM 311 CG1 VAL A 22 37.685 37.403 37.913 1.00 0.00 C ATOM 312 CG2 VAL A 22 37.440 37.449 35.421 1.00 0.00 C ATOM 0 H VAL A 22 34.025 37.632 35.718 1.00 0.00 H new ATOM 0 HA VAL A 22 35.869 35.661 36.872 1.00 0.00 H new ATOM 0 HB VAL A 22 36.374 38.664 36.808 1.00 0.00 H new ATOM 0 HG11 VAL A 22 38.536 38.078 37.824 1.00 0.00 H new ATOM 0 HG12 VAL A 22 37.168 37.592 38.854 1.00 0.00 H new ATOM 0 HG13 VAL A 22 38.037 36.372 37.894 1.00 0.00 H new ATOM 0 HG21 VAL A 22 38.295 38.123 35.367 1.00 0.00 H new ATOM 0 HG22 VAL A 22 37.785 36.419 35.333 1.00 0.00 H new ATOM 0 HG23 VAL A 22 36.750 37.671 34.607 1.00 0.00 H new ATOM 322 N VAL A 23 34.883 36.090 39.115 1.00 0.00 N ATOM 323 CA VAL A 23 34.213 36.257 40.400 1.00 0.00 C ATOM 324 C VAL A 23 34.630 37.559 41.072 1.00 0.00 C ATOM 325 O VAL A 23 35.728 37.663 41.620 1.00 0.00 O ATOM 326 CB VAL A 23 34.517 35.082 41.348 1.00 0.00 C ATOM 327 CG1 VAL A 23 33.747 35.233 42.651 1.00 0.00 C ATOM 328 CG2 VAL A 23 34.189 33.757 40.676 1.00 0.00 C ATOM 0 H VAL A 23 35.439 35.238 39.036 1.00 0.00 H new ATOM 0 HA VAL A 23 33.142 36.283 40.198 1.00 0.00 H new ATOM 0 HB VAL A 23 35.582 35.092 41.580 1.00 0.00 H new ATOM 0 HG11 VAL A 23 33.975 34.393 43.308 1.00 0.00 H new ATOM 0 HG12 VAL A 23 34.036 36.164 43.139 1.00 0.00 H new ATOM 0 HG13 VAL A 23 32.677 35.250 42.442 1.00 0.00 H new ATOM 0 HG21 VAL A 23 34.410 32.938 41.360 1.00 0.00 H new ATOM 0 HG22 VAL A 23 33.132 33.735 40.412 1.00 0.00 H new ATOM 0 HG23 VAL A 23 34.790 33.648 39.773 1.00 0.00 H new ATOM 338 N CYS A 24 33.747 38.551 41.028 1.00 0.00 N ATOM 339 CA CYS A 24 34.023 39.849 41.633 1.00 0.00 C ATOM 340 C CYS A 24 33.458 39.921 43.048 1.00 0.00 C ATOM 341 O CYS A 24 34.008 40.601 43.913 1.00 0.00 O ATOM 342 CB CYS A 24 33.433 40.970 40.777 1.00 0.00 C ATOM 343 SG CYS A 24 34.411 42.491 40.776 1.00 0.00 S ATOM 0 H CYS A 24 32.834 38.481 40.579 1.00 0.00 H new ATOM 0 HA CYS A 24 35.104 39.974 41.687 1.00 0.00 H new ATOM 0 HB2 CYS A 24 33.332 40.615 39.751 1.00 0.00 H new ATOM 0 HB3 CYS A 24 32.429 41.197 41.136 1.00 0.00 H new ATOM 0 HG CYS A 24 33.832 43.379 40.023 1.00 0.00 H new ATOM 349 N ALA A 25 32.355 39.214 43.275 1.00 0.00 N ATOM 350 CA ALA A 25 31.715 39.198 44.584 1.00 0.00 C ATOM 351 C ALA A 25 32.112 37.955 45.374 1.00 0.00 C ATOM 352 O ALA A 25 32.217 36.862 44.817 1.00 0.00 O ATOM 353 CB ALA A 25 30.203 39.268 44.433 1.00 0.00 C ATOM 0 H ALA A 25 31.887 38.645 42.569 1.00 0.00 H new ATOM 0 HA ALA A 25 32.055 40.073 45.138 1.00 0.00 H new ATOM 0 HB1 ALA A 25 29.738 39.255 45.419 1.00 0.00 H new ATOM 0 HB2 ALA A 25 29.931 40.188 43.915 1.00 0.00 H new ATOM 0 HB3 ALA A 25 29.855 38.411 43.856 1.00 0.00 H new ATOM 359 N MET A 26 32.332 38.130 46.673 1.00 0.00 N ATOM 360 CA MET A 26 32.718 37.021 47.538 1.00 0.00 C ATOM 361 C MET A 26 31.842 36.976 48.786 1.00 0.00 C ATOM 362 O MET A 26 31.911 37.862 49.639 1.00 0.00 O ATOM 363 CB MET A 26 34.189 37.146 47.938 1.00 0.00 C ATOM 364 CG MET A 26 35.107 36.202 47.179 1.00 0.00 C ATOM 365 SD MET A 26 35.555 34.745 48.143 1.00 0.00 S ATOM 366 CE MET A 26 35.380 33.457 46.910 1.00 0.00 C ATOM 0 H MET A 26 32.250 39.028 47.149 1.00 0.00 H new ATOM 0 HA MET A 26 32.578 36.094 46.983 1.00 0.00 H new ATOM 0 HB2 MET A 26 34.517 38.172 47.770 1.00 0.00 H new ATOM 0 HB3 MET A 26 34.284 36.952 49.006 1.00 0.00 H new ATOM 0 HG2 MET A 26 34.617 35.887 46.258 1.00 0.00 H new ATOM 0 HG3 MET A 26 36.013 36.735 46.891 1.00 0.00 H new ATOM 0 HE1 MET A 26 35.589 32.488 47.364 1.00 0.00 H new ATOM 0 HE2 MET A 26 34.362 33.463 46.520 1.00 0.00 H new ATOM 0 HE3 MET A 26 36.082 33.635 46.095 1.00 0.00 H new ATOM 376 N LYS A 27 31.017 35.939 48.887 1.00 0.00 N ATOM 377 CA LYS A 27 30.128 35.777 50.031 1.00 0.00 C ATOM 378 C LYS A 27 30.055 34.315 50.461 1.00 0.00 C ATOM 379 O LYS A 27 30.612 33.437 49.802 1.00 0.00 O ATOM 380 CB LYS A 27 28.727 36.289 49.690 1.00 0.00 C ATOM 381 CG LYS A 27 28.163 37.251 50.722 1.00 0.00 C ATOM 382 CD LYS A 27 26.700 37.560 50.456 1.00 0.00 C ATOM 383 CE LYS A 27 26.080 38.348 51.600 1.00 0.00 C ATOM 384 NZ LYS A 27 25.042 39.301 51.119 1.00 0.00 N ATOM 0 H LYS A 27 30.946 35.198 48.190 1.00 0.00 H new ATOM 0 HA LYS A 27 30.531 36.361 50.858 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.757 36.786 48.720 1.00 0.00 H new ATOM 0 HB3 LYS A 27 28.052 35.438 49.591 1.00 0.00 H new ATOM 0 HG2 LYS A 27 28.270 36.821 51.718 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.739 38.176 50.711 1.00 0.00 H new ATOM 0 HD2 LYS A 27 26.610 38.128 49.530 1.00 0.00 H new ATOM 0 HD3 LYS A 27 26.150 36.629 50.314 1.00 0.00 H new ATOM 0 HE2 LYS A 27 25.635 37.658 52.317 1.00 0.00 H new ATOM 0 HE3 LYS A 27 26.860 38.897 52.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 24.644 39.818 51.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 25.472 39.976 50.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 24.285 38.775 50.638 1.00 0.00 H new ATOM 398 N GLU A 28 29.364 34.062 51.568 1.00 0.00 N ATOM 399 CA GLU A 28 29.219 32.706 52.084 1.00 0.00 C ATOM 400 C GLU A 28 27.851 32.131 51.725 1.00 0.00 C ATOM 401 O GLU A 28 27.210 31.471 52.542 1.00 0.00 O ATOM 402 CB GLU A 28 29.408 32.691 53.602 1.00 0.00 C ATOM 403 CG GLU A 28 29.897 31.357 54.141 1.00 0.00 C ATOM 404 CD GLU A 28 31.410 31.252 54.157 1.00 0.00 C ATOM 405 OE1 GLU A 28 32.062 32.179 54.682 1.00 0.00 O ATOM 406 OE2 GLU A 28 31.941 30.246 53.644 1.00 0.00 O ATOM 0 H GLU A 28 28.896 34.778 52.124 1.00 0.00 H new ATOM 0 HA GLU A 28 29.988 32.085 51.623 1.00 0.00 H new ATOM 0 HB2 GLU A 28 30.120 33.468 53.879 1.00 0.00 H new ATOM 0 HB3 GLU A 28 28.461 32.941 54.080 1.00 0.00 H new ATOM 0 HG2 GLU A 28 29.516 31.217 55.153 1.00 0.00 H new ATOM 0 HG3 GLU A 28 29.487 30.551 53.532 1.00 0.00 H new ATOM 413 N ALA A 29 27.412 32.387 50.498 1.00 0.00 N ATOM 414 CA ALA A 29 26.122 31.895 50.030 1.00 0.00 C ATOM 415 C ALA A 29 25.978 32.078 48.523 1.00 0.00 C ATOM 416 O ALA A 29 25.625 31.143 47.804 1.00 0.00 O ATOM 417 CB ALA A 29 24.990 32.603 50.760 1.00 0.00 C ATOM 0 H ALA A 29 27.930 32.932 49.809 1.00 0.00 H new ATOM 0 HA ALA A 29 26.068 30.828 50.247 1.00 0.00 H new ATOM 0 HB1 ALA A 29 24.033 32.226 50.400 1.00 0.00 H new ATOM 0 HB2 ALA A 29 25.075 32.416 51.831 1.00 0.00 H new ATOM 0 HB3 ALA A 29 25.051 33.675 50.573 1.00 0.00 H new ATOM 423 N PHE A 30 26.253 33.289 48.050 1.00 0.00 N ATOM 424 CA PHE A 30 26.153 33.595 46.627 1.00 0.00 C ATOM 425 C PHE A 30 27.103 34.727 46.246 1.00 0.00 C ATOM 426 O PHE A 30 27.694 35.373 47.110 1.00 0.00 O ATOM 427 CB PHE A 30 24.716 33.978 46.267 1.00 0.00 C ATOM 428 CG PHE A 30 24.105 34.972 47.212 1.00 0.00 C ATOM 429 CD1 PHE A 30 24.584 36.270 47.279 1.00 0.00 C ATOM 430 CD2 PHE A 30 23.051 34.607 48.035 1.00 0.00 C ATOM 431 CE1 PHE A 30 24.024 37.186 48.149 1.00 0.00 C ATOM 432 CE2 PHE A 30 22.486 35.519 48.907 1.00 0.00 C ATOM 433 CZ PHE A 30 22.973 36.811 48.963 1.00 0.00 C ATOM 0 H PHE A 30 26.547 34.074 48.631 1.00 0.00 H new ATOM 0 HA PHE A 30 26.436 32.703 46.068 1.00 0.00 H new ATOM 0 HB2 PHE A 30 24.701 34.391 45.258 1.00 0.00 H new ATOM 0 HB3 PHE A 30 24.102 33.078 46.252 1.00 0.00 H new ATOM 0 HD1 PHE A 30 25.405 36.570 46.644 1.00 0.00 H new ATOM 0 HD2 PHE A 30 22.667 33.598 47.995 1.00 0.00 H new ATOM 0 HE1 PHE A 30 24.408 38.195 48.192 1.00 0.00 H new ATOM 0 HE2 PHE A 30 21.665 35.222 49.543 1.00 0.00 H new ATOM 0 HZ PHE A 30 22.533 37.526 49.642 1.00 0.00 H new ATOM 443 N GLY A 31 27.246 34.959 44.945 1.00 0.00 N ATOM 444 CA GLY A 31 28.126 36.011 44.471 1.00 0.00 C ATOM 445 C GLY A 31 27.766 36.484 43.076 1.00 0.00 C ATOM 446 O GLY A 31 26.661 36.234 42.594 1.00 0.00 O ATOM 0 H GLY A 31 26.768 34.437 44.211 1.00 0.00 H new ATOM 0 HA2 GLY A 31 28.082 36.855 45.160 1.00 0.00 H new ATOM 0 HA3 GLY A 31 29.154 35.649 44.475 1.00 0.00 H new ATOM 450 N PHE A 32 28.701 37.169 42.426 1.00 0.00 N ATOM 451 CA PHE A 32 28.475 37.680 41.079 1.00 0.00 C ATOM 452 C PHE A 32 29.677 37.397 40.182 1.00 0.00 C ATOM 453 O PHE A 32 30.713 36.921 40.647 1.00 0.00 O ATOM 454 CB PHE A 32 28.199 39.185 41.121 1.00 0.00 C ATOM 455 CG PHE A 32 26.893 39.537 41.774 1.00 0.00 C ATOM 456 CD1 PHE A 32 26.802 39.656 43.151 1.00 0.00 C ATOM 457 CD2 PHE A 32 25.757 39.747 41.010 1.00 0.00 C ATOM 458 CE1 PHE A 32 25.602 39.981 43.755 1.00 0.00 C ATOM 459 CE2 PHE A 32 24.554 40.071 41.608 1.00 0.00 C ATOM 460 CZ PHE A 32 24.476 40.187 42.983 1.00 0.00 C ATOM 0 H PHE A 32 29.622 37.383 42.810 1.00 0.00 H new ATOM 0 HA PHE A 32 27.606 37.170 40.664 1.00 0.00 H new ATOM 0 HB2 PHE A 32 29.009 39.680 41.657 1.00 0.00 H new ATOM 0 HB3 PHE A 32 28.204 39.576 40.103 1.00 0.00 H new ATOM 0 HD1 PHE A 32 27.679 39.493 43.760 1.00 0.00 H new ATOM 0 HD2 PHE A 32 25.812 39.657 39.935 1.00 0.00 H new ATOM 0 HE1 PHE A 32 25.545 40.074 44.830 1.00 0.00 H new ATOM 0 HE2 PHE A 32 23.675 40.233 41.001 1.00 0.00 H new ATOM 0 HZ PHE A 32 23.536 40.438 43.453 1.00 0.00 H new ATOM 470 N ILE A 33 29.530 37.693 38.895 1.00 0.00 N ATOM 471 CA ILE A 33 30.602 37.471 37.933 1.00 0.00 C ATOM 472 C ILE A 33 30.765 38.670 37.005 1.00 0.00 C ATOM 473 O ILE A 33 29.834 39.048 36.295 1.00 0.00 O ATOM 474 CB ILE A 33 30.346 36.211 37.085 1.00 0.00 C ATOM 475 CG1 ILE A 33 30.073 35.007 37.990 1.00 0.00 C ATOM 476 CG2 ILE A 33 31.532 35.936 36.173 1.00 0.00 C ATOM 477 CD1 ILE A 33 29.656 33.765 37.235 1.00 0.00 C ATOM 0 H ILE A 33 28.679 38.087 38.494 1.00 0.00 H new ATOM 0 HA ILE A 33 31.518 37.332 38.508 1.00 0.00 H new ATOM 0 HB ILE A 33 29.467 36.382 36.464 1.00 0.00 H new ATOM 0 HG12 ILE A 33 30.970 34.787 38.568 1.00 0.00 H new ATOM 0 HG13 ILE A 33 29.291 35.269 38.703 1.00 0.00 H new ATOM 0 HG21 ILE A 33 31.336 35.043 35.580 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.685 36.786 35.508 1.00 0.00 H new ATOM 0 HG23 ILE A 33 32.427 35.782 36.776 1.00 0.00 H new ATOM 0 HD11 ILE A 33 29.479 32.953 37.940 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.741 33.968 36.678 1.00 0.00 H new ATOM 0 HD13 ILE A 33 30.447 33.478 36.542 1.00 0.00 H new ATOM 489 N GLU A 34 31.955 39.262 37.015 1.00 0.00 N ATOM 490 CA GLU A 34 32.240 40.417 36.173 1.00 0.00 C ATOM 491 C GLU A 34 32.346 40.009 34.707 1.00 0.00 C ATOM 492 O GLU A 34 33.129 39.128 34.352 1.00 0.00 O ATOM 493 CB GLU A 34 33.537 41.095 36.620 1.00 0.00 C ATOM 494 CG GLU A 34 33.318 42.421 37.329 1.00 0.00 C ATOM 495 CD GLU A 34 33.154 43.579 36.364 1.00 0.00 C ATOM 496 OE1 GLU A 34 32.185 43.564 35.577 1.00 0.00 O ATOM 497 OE2 GLU A 34 33.997 44.500 36.396 1.00 0.00 O ATOM 0 H GLU A 34 32.737 38.961 37.597 1.00 0.00 H new ATOM 0 HA GLU A 34 31.415 41.122 36.277 1.00 0.00 H new ATOM 0 HB2 GLU A 34 34.078 40.422 37.285 1.00 0.00 H new ATOM 0 HB3 GLU A 34 34.170 41.259 35.748 1.00 0.00 H new ATOM 0 HG2 GLU A 34 32.431 42.350 37.959 1.00 0.00 H new ATOM 0 HG3 GLU A 34 34.163 42.620 37.989 1.00 0.00 H new ATOM 601 N GLU A 41 25.969 41.288 33.308 1.00 0.00 N ATOM 602 CA GLU A 41 26.332 40.444 34.440 1.00 0.00 C ATOM 603 C GLU A 41 25.185 39.509 34.811 1.00 0.00 C ATOM 604 O GLU A 41 24.059 39.675 34.342 1.00 0.00 O ATOM 605 CB GLU A 41 26.713 41.305 35.646 1.00 0.00 C ATOM 606 CG GLU A 41 25.525 41.983 36.309 1.00 0.00 C ATOM 607 CD GLU A 41 25.746 43.467 36.524 1.00 0.00 C ATOM 608 OE1 GLU A 41 26.810 43.836 37.063 1.00 0.00 O ATOM 609 OE2 GLU A 41 24.854 44.260 36.155 1.00 0.00 O ATOM 0 HA GLU A 41 27.191 39.840 34.149 1.00 0.00 H new ATOM 0 HB2 GLU A 41 27.222 40.681 36.381 1.00 0.00 H new ATOM 0 HB3 GLU A 41 27.425 42.067 35.328 1.00 0.00 H new ATOM 0 HG2 GLU A 41 24.638 41.837 35.693 1.00 0.00 H new ATOM 0 HG3 GLU A 41 25.328 41.506 37.269 1.00 0.00 H new ATOM 616 N ILE A 42 25.480 38.526 35.656 1.00 0.00 N ATOM 617 CA ILE A 42 24.474 37.565 36.090 1.00 0.00 C ATOM 618 C ILE A 42 24.681 37.174 37.549 1.00 0.00 C ATOM 619 O ILE A 42 25.727 37.453 38.135 1.00 0.00 O ATOM 620 CB ILE A 42 24.497 36.294 35.221 1.00 0.00 C ATOM 621 CG1 ILE A 42 25.628 35.365 35.668 1.00 0.00 C ATOM 622 CG2 ILE A 42 24.653 36.659 33.752 1.00 0.00 C ATOM 623 CD1 ILE A 42 26.995 36.013 35.623 1.00 0.00 C ATOM 0 H ILE A 42 26.407 38.375 36.053 1.00 0.00 H new ATOM 0 HA ILE A 42 23.505 38.052 35.981 1.00 0.00 H new ATOM 0 HB ILE A 42 23.550 35.769 35.346 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.429 35.026 36.685 1.00 0.00 H new ATOM 0 HG13 ILE A 42 25.633 34.480 35.032 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.668 35.750 33.151 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.817 37.286 33.442 1.00 0.00 H new ATOM 0 HG23 ILE A 42 25.587 37.203 33.609 1.00 0.00 H new ATOM 0 HD11 ILE A 42 27.748 35.297 35.953 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.215 36.327 34.603 1.00 0.00 H new ATOM 0 HD13 ILE A 42 27.008 36.882 36.281 1.00 0.00 H new ATOM 635 N PHE A 43 23.678 36.524 38.130 1.00 0.00 N ATOM 636 CA PHE A 43 23.750 36.093 39.521 1.00 0.00 C ATOM 637 C PHE A 43 23.742 34.571 39.620 1.00 0.00 C ATOM 638 O PHE A 43 22.850 33.907 39.090 1.00 0.00 O ATOM 639 CB PHE A 43 22.580 36.673 40.319 1.00 0.00 C ATOM 640 CG PHE A 43 22.477 36.129 41.715 1.00 0.00 C ATOM 641 CD1 PHE A 43 23.234 36.671 42.741 1.00 0.00 C ATOM 642 CD2 PHE A 43 21.624 35.076 42.001 1.00 0.00 C ATOM 643 CE1 PHE A 43 23.142 36.171 44.026 1.00 0.00 C ATOM 644 CE2 PHE A 43 21.527 34.572 43.284 1.00 0.00 C ATOM 645 CZ PHE A 43 22.286 35.121 44.299 1.00 0.00 C ATOM 0 H PHE A 43 22.806 36.284 37.659 1.00 0.00 H new ATOM 0 HA PHE A 43 24.686 36.462 39.941 1.00 0.00 H new ATOM 0 HB2 PHE A 43 22.686 37.757 40.367 1.00 0.00 H new ATOM 0 HB3 PHE A 43 21.651 36.466 39.788 1.00 0.00 H new ATOM 0 HD1 PHE A 43 23.903 37.493 42.534 1.00 0.00 H new ATOM 0 HD2 PHE A 43 21.027 34.643 41.212 1.00 0.00 H new ATOM 0 HE1 PHE A 43 23.739 36.601 44.817 1.00 0.00 H new ATOM 0 HE2 PHE A 43 20.859 33.750 43.493 1.00 0.00 H new ATOM 0 HZ PHE A 43 22.211 34.731 45.303 1.00 0.00 H new ATOM 655 N PHE A 44 24.742 34.023 40.302 1.00 0.00 N ATOM 656 CA PHE A 44 24.853 32.578 40.469 1.00 0.00 C ATOM 657 C PHE A 44 24.891 32.204 41.948 1.00 0.00 C ATOM 658 O PHE A 44 25.366 32.974 42.783 1.00 0.00 O ATOM 659 CB PHE A 44 26.108 32.056 39.767 1.00 0.00 C ATOM 660 CG PHE A 44 27.383 32.409 40.478 1.00 0.00 C ATOM 661 CD1 PHE A 44 27.849 33.713 40.487 1.00 0.00 C ATOM 662 CD2 PHE A 44 28.116 31.435 41.137 1.00 0.00 C ATOM 663 CE1 PHE A 44 29.022 34.041 41.141 1.00 0.00 C ATOM 664 CE2 PHE A 44 29.289 31.756 41.793 1.00 0.00 C ATOM 665 CZ PHE A 44 29.744 33.061 41.794 1.00 0.00 C ATOM 0 H PHE A 44 25.487 34.557 40.748 1.00 0.00 H new ATOM 0 HA PHE A 44 23.975 32.117 40.017 1.00 0.00 H new ATOM 0 HB2 PHE A 44 26.040 30.972 39.677 1.00 0.00 H new ATOM 0 HB3 PHE A 44 26.142 32.459 38.755 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.289 34.483 39.977 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.766 30.413 41.138 1.00 0.00 H new ATOM 0 HE1 PHE A 44 29.373 35.062 41.141 1.00 0.00 H new ATOM 0 HE2 PHE A 44 29.850 30.988 42.305 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.662 33.314 42.304 1.00 0.00 H new ATOM 675 N HIS A 45 24.387 31.015 42.264 1.00 0.00 N ATOM 676 CA HIS A 45 24.363 30.537 43.642 1.00 0.00 C ATOM 677 C HIS A 45 25.375 29.413 43.845 1.00 0.00 C ATOM 678 O HIS A 45 25.489 28.510 43.016 1.00 0.00 O ATOM 679 CB HIS A 45 22.961 30.049 44.011 1.00 0.00 C ATOM 680 CG HIS A 45 22.513 30.486 45.371 1.00 0.00 C ATOM 681 ND1 HIS A 45 22.966 29.904 46.536 1.00 0.00 N ATOM 682 CD2 HIS A 45 21.649 31.457 45.749 1.00 0.00 C ATOM 683 CE1 HIS A 45 22.398 30.496 47.571 1.00 0.00 C ATOM 684 NE2 HIS A 45 21.595 31.443 47.121 1.00 0.00 N ATOM 0 H HIS A 45 23.990 30.365 41.585 1.00 0.00 H new ATOM 0 HA HIS A 45 24.634 31.368 44.293 1.00 0.00 H new ATOM 0 HB2 HIS A 45 22.251 30.414 43.269 1.00 0.00 H new ATOM 0 HB3 HIS A 45 22.940 28.960 43.963 1.00 0.00 H new ATOM 0 HD2 HIS A 45 21.104 32.120 45.093 1.00 0.00 H new ATOM 0 HE1 HIS A 45 22.562 30.248 48.609 1.00 0.00 H new ATOM 0 HE2 HIS A 45 21.027 32.063 47.699 1.00 0.00 H new ATOM 692 N TYR A 46 26.107 29.477 44.952 1.00 0.00 N ATOM 693 CA TYR A 46 27.112 28.467 45.262 1.00 0.00 C ATOM 694 C TYR A 46 26.505 27.067 45.233 1.00 0.00 C ATOM 695 O TYR A 46 27.188 26.089 44.931 1.00 0.00 O ATOM 696 CB TYR A 46 27.732 28.738 46.634 1.00 0.00 C ATOM 697 CG TYR A 46 28.999 29.560 46.574 1.00 0.00 C ATOM 698 CD1 TYR A 46 30.107 29.115 45.864 1.00 0.00 C ATOM 699 CD2 TYR A 46 29.088 30.783 47.228 1.00 0.00 C ATOM 700 CE1 TYR A 46 31.267 29.863 45.807 1.00 0.00 C ATOM 701 CE2 TYR A 46 30.244 31.538 47.176 1.00 0.00 C ATOM 702 CZ TYR A 46 31.331 31.074 46.465 1.00 0.00 C ATOM 703 OH TYR A 46 32.484 31.822 46.410 1.00 0.00 O ATOM 0 H TYR A 46 26.023 30.217 45.649 1.00 0.00 H new ATOM 0 HA TYR A 46 27.891 28.521 44.502 1.00 0.00 H new ATOM 0 HB2 TYR A 46 27.003 29.255 47.257 1.00 0.00 H new ATOM 0 HB3 TYR A 46 27.949 27.787 47.120 1.00 0.00 H new ATOM 0 HD1 TYR A 46 30.061 28.168 45.348 1.00 0.00 H new ATOM 0 HD2 TYR A 46 28.239 31.149 47.786 1.00 0.00 H new ATOM 0 HE1 TYR A 46 32.119 29.502 45.250 1.00 0.00 H new ATOM 0 HE2 TYR A 46 30.296 32.487 47.689 1.00 0.00 H new ATOM 0 HH TYR A 46 32.364 32.647 46.925 1.00 0.00 H new ATOM 713 N SER A 47 25.217 26.982 45.548 1.00 0.00 N ATOM 714 CA SER A 47 24.517 25.703 45.562 1.00 0.00 C ATOM 715 C SER A 47 24.625 25.009 44.207 1.00 0.00 C ATOM 716 O SER A 47 24.685 23.783 44.129 1.00 0.00 O ATOM 717 CB SER A 47 23.045 25.907 45.927 1.00 0.00 C ATOM 718 OG SER A 47 22.574 27.159 45.462 1.00 0.00 O ATOM 0 H SER A 47 24.637 27.783 45.797 1.00 0.00 H new ATOM 0 HA SER A 47 24.986 25.069 46.314 1.00 0.00 H new ATOM 0 HB2 SER A 47 22.445 25.106 45.495 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.924 25.848 47.009 1.00 0.00 H new ATOM 0 HG SER A 47 22.766 27.850 46.130 1.00 0.00 H new ATOM 724 N GLU A 48 24.650 25.805 43.143 1.00 0.00 N ATOM 725 CA GLU A 48 24.750 25.268 41.791 1.00 0.00 C ATOM 726 C GLU A 48 26.208 25.176 41.348 1.00 0.00 C ATOM 727 O GLU A 48 26.561 24.352 40.504 1.00 0.00 O ATOM 728 CB GLU A 48 23.963 26.142 40.811 1.00 0.00 C ATOM 729 CG GLU A 48 22.562 25.626 40.526 1.00 0.00 C ATOM 730 CD GLU A 48 21.663 25.674 41.747 1.00 0.00 C ATOM 731 OE1 GLU A 48 21.789 24.781 42.611 1.00 0.00 O ATOM 732 OE2 GLU A 48 20.834 26.603 41.838 1.00 0.00 O ATOM 0 H GLU A 48 24.602 26.823 43.191 1.00 0.00 H new ATOM 0 HA GLU A 48 24.325 24.264 41.795 1.00 0.00 H new ATOM 0 HB2 GLU A 48 23.894 27.153 41.213 1.00 0.00 H new ATOM 0 HB3 GLU A 48 24.514 26.209 39.873 1.00 0.00 H new ATOM 0 HG2 GLU A 48 22.116 26.219 39.727 1.00 0.00 H new ATOM 0 HG3 GLU A 48 22.623 24.599 40.165 1.00 0.00 H new ATOM 739 N PHE A 49 27.049 26.028 41.925 1.00 0.00 N ATOM 740 CA PHE A 49 28.469 26.045 41.590 1.00 0.00 C ATOM 741 C PHE A 49 29.073 24.649 41.714 1.00 0.00 C ATOM 742 O PHE A 49 29.101 24.066 42.798 1.00 0.00 O ATOM 743 CB PHE A 49 29.218 27.020 42.500 1.00 0.00 C ATOM 744 CG PHE A 49 30.709 26.976 42.327 1.00 0.00 C ATOM 745 CD1 PHE A 49 31.317 27.636 41.270 1.00 0.00 C ATOM 746 CD2 PHE A 49 31.503 26.276 43.220 1.00 0.00 C ATOM 747 CE1 PHE A 49 32.689 27.598 41.108 1.00 0.00 C ATOM 748 CE2 PHE A 49 32.876 26.235 43.064 1.00 0.00 C ATOM 749 CZ PHE A 49 33.469 26.896 42.006 1.00 0.00 C ATOM 0 H PHE A 49 26.773 26.715 42.626 1.00 0.00 H new ATOM 0 HA PHE A 49 28.569 26.375 40.556 1.00 0.00 H new ATOM 0 HB2 PHE A 49 28.867 28.033 42.301 1.00 0.00 H new ATOM 0 HB3 PHE A 49 28.974 26.796 43.538 1.00 0.00 H new ATOM 0 HD1 PHE A 49 30.711 28.186 40.565 1.00 0.00 H new ATOM 0 HD2 PHE A 49 31.044 25.756 44.048 1.00 0.00 H new ATOM 0 HE1 PHE A 49 33.150 28.116 40.281 1.00 0.00 H new ATOM 0 HE2 PHE A 49 33.484 25.687 43.768 1.00 0.00 H new ATOM 0 HZ PHE A 49 34.541 26.864 41.881 1.00 0.00 H new ATOM 759 N LYS A 50 29.556 24.118 40.595 1.00 0.00 N ATOM 760 CA LYS A 50 30.161 22.792 40.576 1.00 0.00 C ATOM 761 C LYS A 50 31.682 22.889 40.510 1.00 0.00 C ATOM 762 O LYS A 50 32.274 22.785 39.436 1.00 0.00 O ATOM 763 CB LYS A 50 29.638 21.987 39.384 1.00 0.00 C ATOM 764 CG LYS A 50 28.129 22.054 39.220 1.00 0.00 C ATOM 765 CD LYS A 50 27.411 21.549 40.461 1.00 0.00 C ATOM 766 CE LYS A 50 27.703 20.078 40.714 1.00 0.00 C ATOM 767 NZ LYS A 50 26.453 19.281 40.854 1.00 0.00 N ATOM 0 H LYS A 50 29.540 24.587 39.689 1.00 0.00 H new ATOM 0 HA LYS A 50 29.887 22.282 41.499 1.00 0.00 H new ATOM 0 HB2 LYS A 50 30.111 22.354 38.473 1.00 0.00 H new ATOM 0 HB3 LYS A 50 29.937 20.945 39.501 1.00 0.00 H new ATOM 0 HG2 LYS A 50 27.829 23.082 39.018 1.00 0.00 H new ATOM 0 HG3 LYS A 50 27.829 21.459 38.357 1.00 0.00 H new ATOM 0 HD2 LYS A 50 27.720 22.136 41.326 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.337 21.693 40.345 1.00 0.00 H new ATOM 0 HE2 LYS A 50 28.298 19.679 39.892 1.00 0.00 H new ATOM 0 HE3 LYS A 50 28.302 19.977 41.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 26.694 18.284 41.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 25.897 19.645 41.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 25.893 19.357 39.981 1.00 0.00 H new ATOM 781 N GLY A 51 32.309 23.087 41.665 1.00 0.00 N ATOM 782 CA GLY A 51 33.755 23.193 41.715 1.00 0.00 C ATOM 783 C GLY A 51 34.305 22.964 43.109 1.00 0.00 C ATOM 784 O GLY A 51 33.844 22.077 43.828 1.00 0.00 O ATOM 0 H GLY A 51 31.841 23.176 42.567 1.00 0.00 H new ATOM 0 HA2 GLY A 51 34.193 22.466 41.031 1.00 0.00 H new ATOM 0 HA3 GLY A 51 34.056 24.181 41.367 1.00 0.00 H new ATOM 788 N ASP A 52 35.295 23.763 43.492 1.00 0.00 N ATOM 789 CA ASP A 52 35.909 23.643 44.809 1.00 0.00 C ATOM 790 C ASP A 52 35.629 24.882 45.654 1.00 0.00 C ATOM 791 O ASP A 52 36.382 25.856 45.618 1.00 0.00 O ATOM 792 CB ASP A 52 37.418 23.434 44.674 1.00 0.00 C ATOM 793 CG ASP A 52 37.764 22.336 43.688 1.00 0.00 C ATOM 794 OD1 ASP A 52 37.793 21.156 44.099 1.00 0.00 O ATOM 795 OD2 ASP A 52 38.006 22.655 42.505 1.00 0.00 O ATOM 0 H ASP A 52 35.689 24.501 42.909 1.00 0.00 H new ATOM 0 HA ASP A 52 35.473 22.778 45.309 1.00 0.00 H new ATOM 0 HB2 ASP A 52 37.884 24.366 44.354 1.00 0.00 H new ATOM 0 HB3 ASP A 52 37.837 23.187 45.650 1.00 0.00 H new ATOM 800 N LEU A 53 34.540 24.839 46.414 1.00 0.00 N ATOM 801 CA LEU A 53 34.159 25.958 47.269 1.00 0.00 C ATOM 802 C LEU A 53 35.177 26.162 48.386 1.00 0.00 C ATOM 803 O LEU A 53 35.196 27.206 49.038 1.00 0.00 O ATOM 804 CB LEU A 53 32.771 25.719 47.866 1.00 0.00 C ATOM 805 CG LEU A 53 31.709 26.769 47.538 1.00 0.00 C ATOM 806 CD1 LEU A 53 30.458 26.107 46.982 1.00 0.00 C ATOM 807 CD2 LEU A 53 31.375 27.594 48.772 1.00 0.00 C ATOM 0 H LEU A 53 33.905 24.041 46.456 1.00 0.00 H new ATOM 0 HA LEU A 53 34.135 26.859 46.656 1.00 0.00 H new ATOM 0 HB2 LEU A 53 32.412 24.749 47.523 1.00 0.00 H new ATOM 0 HB3 LEU A 53 32.869 25.657 48.950 1.00 0.00 H new ATOM 0 HG LEU A 53 32.110 27.438 46.777 1.00 0.00 H new ATOM 0 HD11 LEU A 53 29.713 26.870 46.754 1.00 0.00 H new ATOM 0 HD12 LEU A 53 30.709 25.562 46.072 1.00 0.00 H new ATOM 0 HD13 LEU A 53 30.054 25.414 47.720 1.00 0.00 H new ATOM 0 HD21 LEU A 53 30.618 28.336 48.519 1.00 0.00 H new ATOM 0 HD22 LEU A 53 30.994 26.939 49.556 1.00 0.00 H new ATOM 0 HD23 LEU A 53 32.274 28.099 49.126 1.00 0.00 H new ATOM 819 N GLU A 54 36.024 25.160 48.598 1.00 0.00 N ATOM 820 CA GLU A 54 37.047 25.231 49.635 1.00 0.00 C ATOM 821 C GLU A 54 38.213 26.109 49.190 1.00 0.00 C ATOM 822 O GLU A 54 38.789 26.848 49.989 1.00 0.00 O ATOM 823 CB GLU A 54 37.553 23.829 49.981 1.00 0.00 C ATOM 824 CG GLU A 54 38.099 23.067 48.785 1.00 0.00 C ATOM 825 CD GLU A 54 38.625 21.695 49.159 1.00 0.00 C ATOM 826 OE1 GLU A 54 39.674 21.626 49.832 1.00 0.00 O ATOM 827 OE2 GLU A 54 37.987 20.691 48.778 1.00 0.00 O ATOM 0 H GLU A 54 36.022 24.290 48.066 1.00 0.00 H new ATOM 0 HA GLU A 54 36.597 25.676 50.523 1.00 0.00 H new ATOM 0 HB2 GLU A 54 38.334 23.910 50.737 1.00 0.00 H new ATOM 0 HB3 GLU A 54 36.738 23.257 50.425 1.00 0.00 H new ATOM 0 HG2 GLU A 54 37.313 22.959 48.038 1.00 0.00 H new ATOM 0 HG3 GLU A 54 38.900 23.646 48.325 1.00 0.00 H new ATOM 834 N THR A 55 38.556 26.022 47.908 1.00 0.00 N ATOM 835 CA THR A 55 39.653 26.806 47.356 1.00 0.00 C ATOM 836 C THR A 55 39.209 27.579 46.119 1.00 0.00 C ATOM 837 O THR A 55 39.328 27.091 44.994 1.00 0.00 O ATOM 838 CB THR A 55 40.852 25.912 46.986 1.00 0.00 C ATOM 839 OG1 THR A 55 40.470 24.977 45.972 1.00 0.00 O ATOM 840 CG2 THR A 55 41.365 25.163 48.207 1.00 0.00 C ATOM 0 H THR A 55 38.089 25.416 47.233 1.00 0.00 H new ATOM 0 HA THR A 55 39.959 27.510 48.130 1.00 0.00 H new ATOM 0 HB THR A 55 41.651 26.550 46.609 1.00 0.00 H new ATOM 0 HG1 THR A 55 39.933 25.434 45.291 1.00 0.00 H new ATOM 0 HG21 THR A 55 42.211 24.538 47.922 1.00 0.00 H new ATOM 0 HG22 THR A 55 41.682 25.878 48.966 1.00 0.00 H new ATOM 0 HG23 THR A 55 40.570 24.535 48.609 1.00 0.00 H new ATOM 848 N LEU A 56 38.698 28.786 46.333 1.00 0.00 N ATOM 849 CA LEU A 56 38.236 29.627 45.235 1.00 0.00 C ATOM 850 C LEU A 56 38.510 31.100 45.524 1.00 0.00 C ATOM 851 O LEU A 56 37.681 31.789 46.118 1.00 0.00 O ATOM 852 CB LEU A 56 36.741 29.412 44.995 1.00 0.00 C ATOM 853 CG LEU A 56 36.070 30.384 44.023 1.00 0.00 C ATOM 854 CD1 LEU A 56 36.514 30.103 42.596 1.00 0.00 C ATOM 855 CD2 LEU A 56 34.556 30.295 44.141 1.00 0.00 C ATOM 0 H LEU A 56 38.593 29.204 47.257 1.00 0.00 H new ATOM 0 HA LEU A 56 38.786 29.344 44.337 1.00 0.00 H new ATOM 0 HB2 LEU A 56 36.596 28.398 44.622 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.227 29.476 45.954 1.00 0.00 H new ATOM 0 HG LEU A 56 36.375 31.398 44.283 1.00 0.00 H new ATOM 0 HD11 LEU A 56 36.027 30.804 41.919 1.00 0.00 H new ATOM 0 HD12 LEU A 56 37.595 30.219 42.522 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.239 29.084 42.323 1.00 0.00 H new ATOM 0 HD21 LEU A 56 34.095 30.993 43.442 1.00 0.00 H new ATOM 0 HD22 LEU A 56 34.232 29.281 43.908 1.00 0.00 H new ATOM 0 HD23 LEU A 56 34.255 30.547 45.158 1.00 0.00 H new ATOM 867 N GLN A 57 39.676 31.574 45.099 1.00 0.00 N ATOM 868 CA GLN A 57 40.057 32.966 45.312 1.00 0.00 C ATOM 869 C GLN A 57 41.376 33.282 44.613 1.00 0.00 C ATOM 870 O GLN A 57 42.152 32.391 44.267 1.00 0.00 O ATOM 871 CB GLN A 57 40.176 33.261 46.808 1.00 0.00 C ATOM 872 CG GLN A 57 39.002 34.047 47.368 1.00 0.00 C ATOM 873 CD GLN A 57 39.430 35.101 48.370 1.00 0.00 C ATOM 874 OE1 GLN A 57 40.215 34.827 49.279 1.00 0.00 O ATOM 875 NE2 GLN A 57 38.915 36.314 48.211 1.00 0.00 N ATOM 0 H GLN A 57 40.373 31.016 44.606 1.00 0.00 H new ATOM 0 HA GLN A 57 39.279 33.599 44.885 1.00 0.00 H new ATOM 0 HB2 GLN A 57 40.264 32.319 47.350 1.00 0.00 H new ATOM 0 HB3 GLN A 57 41.095 33.819 46.988 1.00 0.00 H new ATOM 0 HG2 GLN A 57 38.467 34.526 46.548 1.00 0.00 H new ATOM 0 HG3 GLN A 57 38.304 33.359 47.846 1.00 0.00 H new ATOM 0 HE21 GLN A 57 38.268 36.497 47.444 1.00 0.00 H new ATOM 0 HE22 GLN A 57 39.166 37.063 48.856 1.00 0.00 H new ATOM 884 N PRO A 58 41.637 34.580 44.400 1.00 0.00 N ATOM 885 CA PRO A 58 40.720 35.649 44.808 1.00 0.00 C ATOM 886 C PRO A 58 39.444 35.668 43.973 1.00 0.00 C ATOM 887 O PRO A 58 38.365 35.978 44.478 1.00 0.00 O ATOM 888 CB PRO A 58 41.533 36.924 44.569 1.00 0.00 C ATOM 889 CG PRO A 58 42.517 36.554 43.514 1.00 0.00 C ATOM 890 CD PRO A 58 42.846 35.105 43.744 1.00 0.00 C ATOM 0 HA PRO A 58 40.385 35.527 45.838 1.00 0.00 H new ATOM 0 HB2 PRO A 58 40.894 37.745 44.244 1.00 0.00 H new ATOM 0 HB3 PRO A 58 42.034 37.251 45.480 1.00 0.00 H new ATOM 0 HG2 PRO A 58 42.098 36.706 42.519 1.00 0.00 H new ATOM 0 HG3 PRO A 58 43.412 37.173 43.581 1.00 0.00 H new ATOM 0 HD2 PRO A 58 43.052 34.586 42.808 1.00 0.00 H new ATOM 0 HD3 PRO A 58 43.728 34.988 44.374 1.00 0.00 H new ATOM 898 N GLY A 59 39.574 35.333 42.693 1.00 0.00 N ATOM 899 CA GLY A 59 38.422 35.317 41.810 1.00 0.00 C ATOM 900 C GLY A 59 38.673 34.519 40.545 1.00 0.00 C ATOM 901 O GLY A 59 38.643 35.065 39.442 1.00 0.00 O ATOM 0 H GLY A 59 40.456 35.073 42.252 1.00 0.00 H new ATOM 0 HA2 GLY A 59 37.568 34.894 42.339 1.00 0.00 H new ATOM 0 HA3 GLY A 59 38.157 36.340 41.544 1.00 0.00 H new ATOM 905 N ASP A 60 38.920 33.224 40.705 1.00 0.00 N ATOM 906 CA ASP A 60 39.177 32.349 39.567 1.00 0.00 C ATOM 907 C ASP A 60 38.078 32.483 38.518 1.00 0.00 C ATOM 908 O ASP A 60 36.896 32.570 38.852 1.00 0.00 O ATOM 909 CB ASP A 60 39.284 30.895 40.028 1.00 0.00 C ATOM 910 CG ASP A 60 40.720 30.461 40.250 1.00 0.00 C ATOM 911 OD1 ASP A 60 41.455 31.181 40.957 1.00 0.00 O ATOM 912 OD2 ASP A 60 41.108 29.402 39.716 1.00 0.00 O ATOM 0 H ASP A 60 38.948 32.757 41.611 1.00 0.00 H new ATOM 0 HA ASP A 60 40.123 32.650 39.116 1.00 0.00 H new ATOM 0 HB2 ASP A 60 38.722 30.768 40.953 1.00 0.00 H new ATOM 0 HB3 ASP A 60 38.823 30.246 39.284 1.00 0.00 H new ATOM 917 N ASP A 61 38.475 32.502 37.251 1.00 0.00 N ATOM 918 CA ASP A 61 37.523 32.626 36.153 1.00 0.00 C ATOM 919 C ASP A 61 36.485 31.509 36.204 1.00 0.00 C ATOM 920 O ASP A 61 36.806 30.365 36.528 1.00 0.00 O ATOM 921 CB ASP A 61 38.254 32.599 34.810 1.00 0.00 C ATOM 922 CG ASP A 61 39.299 33.691 34.698 1.00 0.00 C ATOM 923 OD1 ASP A 61 40.388 33.533 35.289 1.00 0.00 O ATOM 924 OD2 ASP A 61 39.029 34.705 34.021 1.00 0.00 O ATOM 0 H ASP A 61 39.450 32.433 36.958 1.00 0.00 H new ATOM 0 HA ASP A 61 37.008 33.581 36.258 1.00 0.00 H new ATOM 0 HB2 ASP A 61 38.732 31.628 34.679 1.00 0.00 H new ATOM 0 HB3 ASP A 61 37.530 32.709 34.003 1.00 0.00 H new ATOM 929 N VAL A 62 35.241 31.848 35.884 1.00 0.00 N ATOM 930 CA VAL A 62 34.156 30.874 35.893 1.00 0.00 C ATOM 931 C VAL A 62 33.342 30.946 34.606 1.00 0.00 C ATOM 932 O VAL A 62 33.434 31.917 33.856 1.00 0.00 O ATOM 933 CB VAL A 62 33.217 31.091 37.094 1.00 0.00 C ATOM 934 CG1 VAL A 62 33.925 30.742 38.395 1.00 0.00 C ATOM 935 CG2 VAL A 62 32.710 32.524 37.121 1.00 0.00 C ATOM 0 H VAL A 62 34.959 32.791 35.615 1.00 0.00 H new ATOM 0 HA VAL A 62 34.616 29.889 35.974 1.00 0.00 H new ATOM 0 HB VAL A 62 32.358 30.428 36.987 1.00 0.00 H new ATOM 0 HG11 VAL A 62 33.246 30.901 39.233 1.00 0.00 H new ATOM 0 HG12 VAL A 62 34.234 29.697 38.372 1.00 0.00 H new ATOM 0 HG13 VAL A 62 34.803 31.377 38.513 1.00 0.00 H new ATOM 0 HG21 VAL A 62 32.048 32.660 37.976 1.00 0.00 H new ATOM 0 HG22 VAL A 62 33.555 33.207 37.204 1.00 0.00 H new ATOM 0 HG23 VAL A 62 32.163 32.734 36.202 1.00 0.00 H new ATOM 945 N GLU A 63 32.545 29.911 34.358 1.00 0.00 N ATOM 946 CA GLU A 63 31.714 29.858 33.161 1.00 0.00 C ATOM 947 C GLU A 63 30.249 29.633 33.524 1.00 0.00 C ATOM 948 O GLU A 63 29.937 28.903 34.465 1.00 0.00 O ATOM 949 CB GLU A 63 32.196 28.744 32.228 1.00 0.00 C ATOM 950 CG GLU A 63 31.888 29.002 30.763 1.00 0.00 C ATOM 951 CD GLU A 63 31.982 27.747 29.917 1.00 0.00 C ATOM 952 OE1 GLU A 63 32.690 26.804 30.330 1.00 0.00 O ATOM 953 OE2 GLU A 63 31.347 27.707 28.842 1.00 0.00 O ATOM 0 H GLU A 63 32.457 29.099 34.969 1.00 0.00 H new ATOM 0 HA GLU A 63 31.800 30.816 32.648 1.00 0.00 H new ATOM 0 HB2 GLU A 63 33.272 28.621 32.348 1.00 0.00 H new ATOM 0 HB3 GLU A 63 31.732 27.804 32.528 1.00 0.00 H new ATOM 0 HG2 GLU A 63 30.886 29.421 30.675 1.00 0.00 H new ATOM 0 HG3 GLU A 63 32.581 29.749 30.376 1.00 0.00 H new ATOM 960 N PHE A 64 29.355 30.266 32.772 1.00 0.00 N ATOM 961 CA PHE A 64 27.923 30.138 33.015 1.00 0.00 C ATOM 962 C PHE A 64 27.137 30.271 31.715 1.00 0.00 C ATOM 963 O PHE A 64 27.642 30.791 30.720 1.00 0.00 O ATOM 964 CB PHE A 64 27.457 31.197 34.017 1.00 0.00 C ATOM 965 CG PHE A 64 27.786 32.602 33.600 1.00 0.00 C ATOM 966 CD1 PHE A 64 29.047 33.129 33.828 1.00 0.00 C ATOM 967 CD2 PHE A 64 26.834 33.395 32.981 1.00 0.00 C ATOM 968 CE1 PHE A 64 29.353 34.422 33.445 1.00 0.00 C ATOM 969 CE2 PHE A 64 27.134 34.688 32.596 1.00 0.00 C ATOM 970 CZ PHE A 64 28.394 35.202 32.829 1.00 0.00 C ATOM 0 H PHE A 64 29.597 30.873 31.989 1.00 0.00 H new ATOM 0 HA PHE A 64 27.738 29.148 33.431 1.00 0.00 H new ATOM 0 HB2 PHE A 64 26.379 31.109 34.151 1.00 0.00 H new ATOM 0 HB3 PHE A 64 27.916 30.997 34.985 1.00 0.00 H new ATOM 0 HD1 PHE A 64 29.800 32.523 34.310 1.00 0.00 H new ATOM 0 HD2 PHE A 64 25.846 32.999 32.797 1.00 0.00 H new ATOM 0 HE1 PHE A 64 30.340 34.821 33.627 1.00 0.00 H new ATOM 0 HE2 PHE A 64 26.383 35.296 32.113 1.00 0.00 H new ATOM 0 HZ PHE A 64 28.629 36.213 32.530 1.00 0.00 H new ATOM 980 N THR A 65 25.895 29.796 31.730 1.00 0.00 N ATOM 981 CA THR A 65 25.038 29.859 30.553 1.00 0.00 C ATOM 982 C THR A 65 23.656 30.397 30.907 1.00 0.00 C ATOM 983 O THR A 65 22.878 29.731 31.590 1.00 0.00 O ATOM 984 CB THR A 65 24.885 28.475 29.894 1.00 0.00 C ATOM 985 OG1 THR A 65 26.171 27.870 29.722 1.00 0.00 O ATOM 986 CG2 THR A 65 24.190 28.592 28.546 1.00 0.00 C ATOM 0 H THR A 65 25.460 29.363 32.545 1.00 0.00 H new ATOM 0 HA THR A 65 25.519 30.537 29.848 1.00 0.00 H new ATOM 0 HB THR A 65 24.275 27.851 30.547 1.00 0.00 H new ATOM 0 HG1 THR A 65 26.065 26.990 29.304 1.00 0.00 H new ATOM 0 HG21 THR A 65 24.093 27.602 28.099 1.00 0.00 H new ATOM 0 HG22 THR A 65 23.200 29.027 28.684 1.00 0.00 H new ATOM 0 HG23 THR A 65 24.778 29.231 27.888 1.00 0.00 H new ATOM 994 N ILE A 66 23.358 31.604 30.438 1.00 0.00 N ATOM 995 CA ILE A 66 22.068 32.229 30.704 1.00 0.00 C ATOM 996 C ILE A 66 20.982 31.655 29.801 1.00 0.00 C ATOM 997 O ILE A 66 21.060 31.756 28.576 1.00 0.00 O ATOM 998 CB ILE A 66 22.131 33.755 30.507 1.00 0.00 C ATOM 999 CG1 ILE A 66 23.325 34.340 31.264 1.00 0.00 C ATOM 1000 CG2 ILE A 66 20.835 34.402 30.971 1.00 0.00 C ATOM 1001 CD1 ILE A 66 24.524 34.613 30.382 1.00 0.00 C ATOM 0 H ILE A 66 23.992 32.168 29.872 1.00 0.00 H new ATOM 0 HA ILE A 66 21.822 32.015 31.744 1.00 0.00 H new ATOM 0 HB ILE A 66 22.260 33.965 29.445 1.00 0.00 H new ATOM 0 HG12 ILE A 66 23.020 35.269 31.746 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.616 33.650 32.056 1.00 0.00 H new ATOM 0 HG21 ILE A 66 20.894 35.481 30.826 1.00 0.00 H new ATOM 0 HG22 ILE A 66 20.002 34.003 30.392 1.00 0.00 H new ATOM 0 HG23 ILE A 66 20.679 34.186 32.028 1.00 0.00 H new ATOM 0 HD11 ILE A 66 25.333 35.026 30.985 1.00 0.00 H new ATOM 0 HD12 ILE A 66 24.855 33.683 29.920 1.00 0.00 H new ATOM 0 HD13 ILE A 66 24.249 35.327 29.605 1.00 0.00 H new ATOM 1013 N LYS A 67 19.968 31.053 30.413 1.00 0.00 N ATOM 1014 CA LYS A 67 18.863 30.465 29.666 1.00 0.00 C ATOM 1015 C LYS A 67 17.652 31.392 29.666 1.00 0.00 C ATOM 1016 O LYS A 67 17.333 32.012 28.651 1.00 0.00 O ATOM 1017 CB LYS A 67 18.481 29.109 30.263 1.00 0.00 C ATOM 1018 CG LYS A 67 19.601 28.084 30.211 1.00 0.00 C ATOM 1019 CD LYS A 67 20.096 27.870 28.791 1.00 0.00 C ATOM 1020 CE LYS A 67 21.023 26.668 28.699 1.00 0.00 C ATOM 1021 NZ LYS A 67 20.976 26.033 27.353 1.00 0.00 N ATOM 0 H LYS A 67 19.889 30.960 31.426 1.00 0.00 H new ATOM 0 HA LYS A 67 19.189 30.322 28.636 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.177 29.251 31.300 1.00 0.00 H new ATOM 0 HB3 LYS A 67 17.616 28.717 29.728 1.00 0.00 H new ATOM 0 HG2 LYS A 67 20.428 28.415 30.839 1.00 0.00 H new ATOM 0 HG3 LYS A 67 19.248 27.138 30.621 1.00 0.00 H new ATOM 0 HD2 LYS A 67 19.245 27.726 28.126 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.620 28.762 28.449 1.00 0.00 H new ATOM 0 HE2 LYS A 67 22.044 26.979 28.918 1.00 0.00 H new ATOM 0 HE3 LYS A 67 20.744 25.935 29.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 21.621 25.218 27.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 20.007 25.713 27.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 21.267 26.724 26.633 1.00 0.00 H new ATOM 1129 N VAL A 74 19.659 35.083 36.139 1.00 0.00 N ATOM 1130 CA VAL A 74 20.559 34.313 36.989 1.00 0.00 C ATOM 1131 C VAL A 74 21.223 33.185 36.207 1.00 0.00 C ATOM 1132 O VAL A 74 20.629 32.618 35.291 1.00 0.00 O ATOM 1133 CB VAL A 74 19.815 33.715 38.198 1.00 0.00 C ATOM 1134 CG1 VAL A 74 19.133 34.812 39.001 1.00 0.00 C ATOM 1135 CG2 VAL A 74 18.806 32.673 37.740 1.00 0.00 C ATOM 0 HA VAL A 74 21.323 35.003 37.347 1.00 0.00 H new ATOM 0 HB VAL A 74 20.543 33.224 38.844 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.613 34.371 39.851 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.881 35.518 39.361 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.416 35.334 38.368 1.00 0.00 H new ATOM 0 HG21 VAL A 74 18.290 32.261 38.607 1.00 0.00 H new ATOM 0 HG22 VAL A 74 18.080 33.138 37.072 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.324 31.872 37.212 1.00 0.00 H new ATOM 1145 N ALA A 75 22.459 32.865 36.575 1.00 0.00 N ATOM 1146 CA ALA A 75 23.204 31.804 35.909 1.00 0.00 C ATOM 1147 C ALA A 75 22.925 30.450 36.554 1.00 0.00 C ATOM 1148 O ALA A 75 22.620 30.368 37.744 1.00 0.00 O ATOM 1149 CB ALA A 75 24.695 32.107 35.938 1.00 0.00 C ATOM 0 H ALA A 75 22.966 33.326 37.331 1.00 0.00 H new ATOM 0 HA ALA A 75 22.874 31.758 34.871 1.00 0.00 H new ATOM 0 HB1 ALA A 75 25.239 31.306 35.437 1.00 0.00 H new ATOM 0 HB2 ALA A 75 24.885 33.050 35.426 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.031 32.182 36.972 1.00 0.00 H new ATOM 1155 N THR A 76 23.030 29.389 35.760 1.00 0.00 N ATOM 1156 CA THR A 76 22.787 28.039 36.253 1.00 0.00 C ATOM 1157 C THR A 76 23.919 27.098 35.859 1.00 0.00 C ATOM 1158 O THR A 76 24.497 27.224 34.779 1.00 0.00 O ATOM 1159 CB THR A 76 21.457 27.476 35.717 1.00 0.00 C ATOM 1160 OG1 THR A 76 20.844 28.423 34.835 1.00 0.00 O ATOM 1161 CG2 THR A 76 20.507 27.152 36.860 1.00 0.00 C ATOM 0 H THR A 76 23.282 29.439 34.773 1.00 0.00 H new ATOM 0 HA THR A 76 22.734 28.104 37.340 1.00 0.00 H new ATOM 0 HB THR A 76 21.671 26.557 35.171 1.00 0.00 H new ATOM 0 HG1 THR A 76 20.000 28.057 34.497 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.575 26.756 36.457 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.964 26.409 37.514 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.300 28.058 37.429 1.00 0.00 H new ATOM 1169 N ASP A 77 24.232 26.154 36.740 1.00 0.00 N ATOM 1170 CA ASP A 77 25.295 25.189 36.483 1.00 0.00 C ATOM 1171 C ASP A 77 26.609 25.899 36.173 1.00 0.00 C ATOM 1172 O ASP A 77 27.074 25.896 35.033 1.00 0.00 O ATOM 1173 CB ASP A 77 24.910 24.271 35.322 1.00 0.00 C ATOM 1174 CG ASP A 77 23.895 23.220 35.727 1.00 0.00 C ATOM 1175 OD1 ASP A 77 24.107 22.559 36.766 1.00 0.00 O ATOM 1176 OD2 ASP A 77 22.888 23.059 35.006 1.00 0.00 O ATOM 0 H ASP A 77 23.764 26.036 37.639 1.00 0.00 H new ATOM 0 HA ASP A 77 25.431 24.587 37.381 1.00 0.00 H new ATOM 0 HB2 ASP A 77 24.503 24.871 34.508 1.00 0.00 H new ATOM 0 HB3 ASP A 77 25.804 23.780 34.939 1.00 0.00 H new ATOM 1181 N VAL A 78 27.203 26.508 37.194 1.00 0.00 N ATOM 1182 CA VAL A 78 28.464 27.222 37.031 1.00 0.00 C ATOM 1183 C VAL A 78 29.648 26.262 37.068 1.00 0.00 C ATOM 1184 O VAL A 78 29.704 25.361 37.906 1.00 0.00 O ATOM 1185 CB VAL A 78 28.649 28.291 38.123 1.00 0.00 C ATOM 1186 CG1 VAL A 78 29.994 28.985 37.969 1.00 0.00 C ATOM 1187 CG2 VAL A 78 27.511 29.300 38.079 1.00 0.00 C ATOM 0 H VAL A 78 26.831 26.521 38.144 1.00 0.00 H new ATOM 0 HA VAL A 78 28.427 27.711 36.058 1.00 0.00 H new ATOM 0 HB VAL A 78 28.630 27.799 39.095 1.00 0.00 H new ATOM 0 HG11 VAL A 78 30.107 29.737 38.750 1.00 0.00 H new ATOM 0 HG12 VAL A 78 30.795 28.250 38.055 1.00 0.00 H new ATOM 0 HG13 VAL A 78 30.046 29.465 36.992 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.658 30.048 38.858 1.00 0.00 H new ATOM 0 HG22 VAL A 78 27.495 29.788 37.105 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.563 28.787 38.243 1.00 0.00 H new ATOM 1197 N ARG A 79 30.593 26.461 36.156 1.00 0.00 N ATOM 1198 CA ARG A 79 31.777 25.613 36.084 1.00 0.00 C ATOM 1199 C ARG A 79 33.046 26.456 36.010 1.00 0.00 C ATOM 1200 O ARG A 79 33.169 27.339 35.160 1.00 0.00 O ATOM 1201 CB ARG A 79 31.694 24.688 34.868 1.00 0.00 C ATOM 1202 CG ARG A 79 30.646 23.596 35.003 1.00 0.00 C ATOM 1203 CD ARG A 79 30.390 22.902 33.674 1.00 0.00 C ATOM 1204 NE ARG A 79 30.718 21.480 33.728 1.00 0.00 N ATOM 1205 CZ ARG A 79 29.914 20.559 34.249 1.00 0.00 C ATOM 1206 NH1 ARG A 79 28.742 20.911 34.759 1.00 0.00 N ATOM 1207 NH2 ARG A 79 30.283 19.285 34.261 1.00 0.00 N ATOM 0 H ARG A 79 30.562 27.202 35.456 1.00 0.00 H new ATOM 0 HA ARG A 79 31.816 25.008 36.990 1.00 0.00 H new ATOM 0 HB2 ARG A 79 31.473 25.285 33.983 1.00 0.00 H new ATOM 0 HB3 ARG A 79 32.668 24.227 34.706 1.00 0.00 H new ATOM 0 HG2 ARG A 79 30.975 22.863 35.740 1.00 0.00 H new ATOM 0 HG3 ARG A 79 29.716 24.026 35.375 1.00 0.00 H new ATOM 0 HD2 ARG A 79 29.342 23.022 33.398 1.00 0.00 H new ATOM 0 HD3 ARG A 79 30.982 23.381 32.895 1.00 0.00 H new ATOM 0 HE ARG A 79 31.613 21.177 33.345 1.00 0.00 H new ATOM 0 HH11 ARG A 79 28.456 21.890 34.752 1.00 0.00 H new ATOM 0 HH12 ARG A 79 28.126 20.203 35.158 1.00 0.00 H new ATOM 0 HH21 ARG A 79 31.185 19.011 33.870 1.00 0.00 H new ATOM 0 HH22 ARG A 79 29.665 18.579 34.661 1.00 0.00 H new ATOM 1221 N LEU A 80 33.987 26.178 36.905 1.00 0.00 N ATOM 1222 CA LEU A 80 35.248 26.911 36.943 1.00 0.00 C ATOM 1223 C LEU A 80 35.963 26.833 35.598 1.00 0.00 C ATOM 1224 O LEU A 80 35.909 25.811 34.912 1.00 0.00 O ATOM 1225 CB LEU A 80 36.151 26.356 38.046 1.00 0.00 C ATOM 1226 CG LEU A 80 36.156 27.134 39.363 1.00 0.00 C ATOM 1227 CD1 LEU A 80 36.662 26.257 40.498 1.00 0.00 C ATOM 1228 CD2 LEU A 80 37.006 28.390 39.237 1.00 0.00 C ATOM 0 H LEU A 80 33.901 25.450 37.614 1.00 0.00 H new ATOM 0 HA LEU A 80 35.026 27.957 37.156 1.00 0.00 H new ATOM 0 HB2 LEU A 80 35.848 25.330 38.254 1.00 0.00 H new ATOM 0 HB3 LEU A 80 37.172 26.316 37.667 1.00 0.00 H new ATOM 0 HG LEU A 80 35.133 27.433 39.591 1.00 0.00 H new ATOM 0 HD11 LEU A 80 36.659 26.827 41.427 1.00 0.00 H new ATOM 0 HD12 LEU A 80 36.013 25.388 40.603 1.00 0.00 H new ATOM 0 HD13 LEU A 80 37.677 25.927 40.278 1.00 0.00 H new ATOM 0 HD21 LEU A 80 36.998 28.931 40.183 1.00 0.00 H new ATOM 0 HD22 LEU A 80 38.030 28.113 38.986 1.00 0.00 H new ATOM 0 HD23 LEU A 80 36.600 29.027 38.451 1.00 0.00 H new ATOM 1240 N LEU A 81 36.635 27.918 35.227 1.00 0.00 N ATOM 1241 CA LEU A 81 37.364 27.972 33.965 1.00 0.00 C ATOM 1242 C LEU A 81 38.797 27.480 34.142 1.00 0.00 C ATOM 1243 O LEU A 81 39.341 27.460 35.246 1.00 0.00 O ATOM 1244 CB LEU A 81 37.367 29.400 33.416 1.00 0.00 C ATOM 1245 CG LEU A 81 36.126 29.819 32.628 1.00 0.00 C ATOM 1246 CD1 LEU A 81 36.185 31.300 32.287 1.00 0.00 C ATOM 1247 CD2 LEU A 81 35.989 28.983 31.364 1.00 0.00 C ATOM 0 H LEU A 81 36.690 28.772 35.782 1.00 0.00 H new ATOM 0 HA LEU A 81 36.860 27.317 33.254 1.00 0.00 H new ATOM 0 HB2 LEU A 81 37.492 30.089 34.252 1.00 0.00 H new ATOM 0 HB3 LEU A 81 38.239 29.518 32.772 1.00 0.00 H new ATOM 0 HG LEU A 81 35.248 29.646 33.250 1.00 0.00 H new ATOM 0 HD11 LEU A 81 35.293 31.580 31.726 1.00 0.00 H new ATOM 0 HD12 LEU A 81 36.233 31.883 33.206 1.00 0.00 H new ATOM 0 HD13 LEU A 81 37.071 31.499 31.684 1.00 0.00 H new ATOM 0 HD21 LEU A 81 35.100 29.295 30.816 1.00 0.00 H new ATOM 0 HD22 LEU A 81 36.870 29.124 30.737 1.00 0.00 H new ATOM 0 HD23 LEU A 81 35.899 27.930 31.632 1.00 0.00 H new ATOM 1259 N PRO A 82 39.425 27.074 33.029 1.00 0.00 N ATOM 1260 CA PRO A 82 40.804 26.577 33.034 1.00 0.00 C ATOM 1261 C PRO A 82 41.817 27.681 33.322 1.00 0.00 C ATOM 1262 O PRO A 82 41.607 28.837 32.957 1.00 0.00 O ATOM 1263 CB PRO A 82 40.992 26.035 31.615 1.00 0.00 C ATOM 1264 CG PRO A 82 40.018 26.799 30.786 1.00 0.00 C ATOM 1265 CD PRO A 82 38.838 27.070 31.678 1.00 0.00 C ATOM 0 HA PRO A 82 40.966 25.832 33.813 1.00 0.00 H new ATOM 0 HB2 PRO A 82 42.013 26.186 31.266 1.00 0.00 H new ATOM 0 HB3 PRO A 82 40.795 24.964 31.571 1.00 0.00 H new ATOM 0 HG2 PRO A 82 40.457 27.730 30.426 1.00 0.00 H new ATOM 0 HG3 PRO A 82 39.720 26.227 29.908 1.00 0.00 H new ATOM 0 HD2 PRO A 82 38.367 28.024 31.442 1.00 0.00 H new ATOM 0 HD3 PRO A 82 38.072 26.302 31.575 1.00 0.00 H new