USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 547 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 Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -0.417 X(o=-0.42,f=-0.088) USER MOD Single : A 23 HIS : no HD1:sc= -8.64! C(o=-8.6!,f=-8.8!) USER MOD Single : A 26 ASN : amide:sc= -7.94! C(o=-7.9!,f=-14!) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.185 K(o=-0.18,f=-2.2!) USER MOD Single : A 45 GLN : amide:sc=-0.00288 K(o=-0.0029,f=-1.7!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 170:sc= -3.83! USER MOD Single : A 61 ASN : amide:sc= -0.368 K(o=-0.37,f=-3.3!) USER MOD Single : A 65 TYR OH : rot 119:sc= -1.94! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.286 K(o=-0.29,f=-1.8!) USER MOD Single : A 89 LYS NZ :NH3+ -153:sc= -0.0415 (180deg=-0.469) USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 312 N THR A 21 11.822 37.133 36.379 1.00 0.00 N ATOM 313 CA THR A 21 12.229 38.527 36.321 1.00 0.00 C ATOM 314 C THR A 21 12.685 38.892 34.907 1.00 0.00 C ATOM 315 O THR A 21 12.382 39.977 34.415 1.00 0.00 O ATOM 316 CB THR A 21 13.307 38.750 37.385 1.00 0.00 C ATOM 317 OG1 THR A 21 12.586 39.233 38.515 1.00 0.00 O ATOM 318 CG2 THR A 21 14.253 39.898 37.027 1.00 0.00 C ATOM 0 HA THR A 21 11.394 39.192 36.540 1.00 0.00 H new ATOM 0 HB THR A 21 13.882 37.833 37.517 1.00 0.00 H new ATOM 0 HG1 THR A 21 13.209 39.402 39.253 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.998 40.014 37.814 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.753 39.677 36.084 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.683 40.822 36.928 1.00 0.00 H new ATOM 326 N HIS A 22 13.406 37.964 34.295 1.00 0.00 N ATOM 327 CA HIS A 22 13.906 38.174 32.948 1.00 0.00 C ATOM 328 C HIS A 22 12.731 38.326 31.981 1.00 0.00 C ATOM 329 O HIS A 22 12.911 38.748 30.840 1.00 0.00 O ATOM 330 CB HIS A 22 14.865 37.053 32.544 1.00 0.00 C ATOM 331 CG HIS A 22 15.416 37.190 31.144 1.00 0.00 C ATOM 332 ND1 HIS A 22 16.638 37.780 30.873 1.00 0.00 N ATOM 333 CD2 HIS A 22 14.900 36.806 29.942 1.00 0.00 C ATOM 334 CE1 HIS A 22 16.837 37.749 29.564 1.00 0.00 C ATOM 335 NE2 HIS A 22 15.758 37.145 28.988 1.00 0.00 N ATOM 0 H HIS A 22 13.656 37.065 34.708 1.00 0.00 H new ATOM 0 HA HIS A 22 14.483 39.098 32.911 1.00 0.00 H new ATOM 0 HB2 HIS A 22 15.696 37.028 33.249 1.00 0.00 H new ATOM 0 HB3 HIS A 22 14.347 36.098 32.627 1.00 0.00 H new ATOM 0 HD2 HIS A 22 13.953 36.310 29.792 1.00 0.00 H new ATOM 0 HE1 HIS A 22 17.702 38.134 29.044 1.00 0.00 H new ATOM 0 HE2 HIS A 22 15.632 36.981 27.989 1.00 0.00 H new ATOM 343 N HIS A 23 11.552 37.971 32.473 1.00 0.00 N ATOM 344 CA HIS A 23 10.348 38.063 31.666 1.00 0.00 C ATOM 345 C HIS A 23 9.546 39.299 32.079 1.00 0.00 C ATOM 346 O HIS A 23 8.977 39.985 31.231 1.00 0.00 O ATOM 347 CB HIS A 23 9.532 36.771 31.760 1.00 0.00 C ATOM 348 CG HIS A 23 10.274 35.542 31.290 1.00 0.00 C ATOM 349 ND1 HIS A 23 10.706 34.552 32.154 1.00 0.00 N ATOM 350 CD2 HIS A 23 10.653 35.154 30.039 1.00 0.00 C ATOM 351 CE1 HIS A 23 11.318 33.615 31.445 1.00 0.00 C ATOM 352 NE2 HIS A 23 11.285 33.990 30.134 1.00 0.00 N ATOM 0 H HIS A 23 11.406 37.620 33.419 1.00 0.00 H new ATOM 0 HA HIS A 23 10.618 38.181 30.617 1.00 0.00 H new ATOM 0 HB2 HIS A 23 9.223 36.623 32.795 1.00 0.00 H new ATOM 0 HB3 HIS A 23 8.623 36.883 31.168 1.00 0.00 H new ATOM 0 HD2 HIS A 23 10.470 35.701 29.126 1.00 0.00 H new ATOM 0 HE1 HIS A 23 11.765 32.713 31.836 1.00 0.00 H new ATOM 0 HE2 HIS A 23 11.680 33.463 29.355 1.00 0.00 H new ATOM 360 N TRP A 24 9.528 39.547 33.380 1.00 0.00 N ATOM 361 CA TRP A 24 8.807 40.690 33.914 1.00 0.00 C ATOM 362 C TRP A 24 9.591 41.954 33.557 1.00 0.00 C ATOM 363 O TRP A 24 9.008 42.952 33.139 1.00 0.00 O ATOM 364 CB TRP A 24 8.575 40.536 35.419 1.00 0.00 C ATOM 365 CG TRP A 24 8.053 41.802 36.101 1.00 0.00 C ATOM 366 CD1 TRP A 24 8.545 42.417 37.186 1.00 0.00 C ATOM 367 CD2 TRP A 24 6.914 42.590 35.697 1.00 0.00 C ATOM 368 NE1 TRP A 24 7.807 43.538 37.510 1.00 0.00 N ATOM 369 CE2 TRP A 24 6.784 43.646 36.575 1.00 0.00 C ATOM 370 CE3 TRP A 24 6.021 42.415 34.624 1.00 0.00 C ATOM 371 CZ2 TRP A 24 5.774 44.610 36.471 1.00 0.00 C ATOM 372 CZ3 TRP A 24 5.017 43.387 34.533 1.00 0.00 C ATOM 373 CH2 TRP A 24 4.874 44.457 35.409 1.00 0.00 C ATOM 0 H TRP A 24 10.001 38.976 34.080 1.00 0.00 H new ATOM 0 HA TRP A 24 7.814 40.761 33.471 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.864 39.727 35.586 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.511 40.241 35.892 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.410 42.078 37.737 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.980 44.170 38.291 1.00 0.00 H new ATOM 0 HE3 TRP A 24 6.103 41.595 33.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 5.693 45.428 37.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 4.304 43.299 33.726 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.072 45.167 35.271 1.00 0.00 H new ATOM 384 N LEU A 25 10.901 41.868 33.735 1.00 0.00 N ATOM 385 CA LEU A 25 11.771 42.993 33.436 1.00 0.00 C ATOM 386 C LEU A 25 11.511 43.468 32.005 1.00 0.00 C ATOM 387 O LEU A 25 11.685 44.646 31.697 1.00 0.00 O ATOM 388 CB LEU A 25 13.233 42.626 33.706 1.00 0.00 C ATOM 389 CG LEU A 25 14.189 43.800 33.925 1.00 0.00 C ATOM 390 CD1 LEU A 25 13.584 44.829 34.884 1.00 0.00 C ATOM 391 CD2 LEU A 25 15.558 43.311 34.400 1.00 0.00 C ATOM 0 H LEU A 25 11.381 41.038 34.082 1.00 0.00 H new ATOM 0 HA LEU A 25 11.549 43.832 34.096 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.269 41.984 34.586 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.600 42.036 32.866 1.00 0.00 H new ATOM 0 HG LEU A 25 14.340 44.300 32.968 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.284 45.653 35.022 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.652 45.211 34.467 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.385 44.357 35.846 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.218 44.165 34.548 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.446 42.772 35.341 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.987 42.646 33.650 1.00 0.00 H new ATOM 403 N ASN A 26 11.099 42.526 31.169 1.00 0.00 N ATOM 404 CA ASN A 26 10.813 42.834 29.778 1.00 0.00 C ATOM 405 C ASN A 26 9.576 43.731 29.702 1.00 0.00 C ATOM 406 O ASN A 26 9.365 44.422 28.707 1.00 0.00 O ATOM 407 CB ASN A 26 10.524 41.560 28.981 1.00 0.00 C ATOM 408 CG ASN A 26 10.217 41.887 27.518 1.00 0.00 C ATOM 409 OD1 ASN A 26 9.185 42.446 27.183 1.00 0.00 O ATOM 410 ND2 ASN A 26 11.168 41.510 26.668 1.00 0.00 N ATOM 0 H ASN A 26 10.957 41.550 31.428 1.00 0.00 H new ATOM 0 HA ASN A 26 11.685 43.333 29.357 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.382 40.890 29.035 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.679 41.033 29.425 1.00 0.00 H new ATOM 0 HD21 ASN A 26 11.058 41.685 25.669 1.00 0.00 H new ATOM 0 HD22 ASN A 26 12.008 41.046 27.015 1.00 0.00 H new ATOM 417 N PHE A 27 8.789 43.689 30.767 1.00 0.00 N ATOM 418 CA PHE A 27 7.577 44.489 30.834 1.00 0.00 C ATOM 419 C PHE A 27 7.796 45.745 31.681 1.00 0.00 C ATOM 420 O PHE A 27 7.249 46.804 31.378 1.00 0.00 O ATOM 421 CB PHE A 27 6.505 43.622 31.496 1.00 0.00 C ATOM 422 CG PHE A 27 5.073 44.015 31.127 1.00 0.00 C ATOM 423 CD1 PHE A 27 4.623 45.271 31.391 1.00 0.00 C ATOM 424 CD2 PHE A 27 4.249 43.108 30.537 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.293 45.635 31.047 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.920 43.472 30.193 1.00 0.00 C ATOM 427 CZ PHE A 27 2.470 44.728 30.457 1.00 0.00 C ATOM 0 H PHE A 27 8.967 43.114 31.590 1.00 0.00 H new ATOM 0 HA PHE A 27 7.283 44.805 29.833 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.669 42.582 31.216 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.620 43.682 32.578 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.276 45.991 31.862 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.606 42.110 30.330 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.936 46.633 31.254 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.267 42.752 29.722 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.459 45.005 30.198 1.00 0.00 H new ATOM 437 N LEU A 28 8.596 45.585 32.724 1.00 0.00 N ATOM 438 CA LEU A 28 8.894 46.692 33.617 1.00 0.00 C ATOM 439 C LEU A 28 9.763 47.714 32.882 1.00 0.00 C ATOM 440 O LEU A 28 9.690 48.910 33.159 1.00 0.00 O ATOM 441 CB LEU A 28 9.513 46.180 34.919 1.00 0.00 C ATOM 442 CG LEU A 28 9.737 47.226 36.013 1.00 0.00 C ATOM 443 CD1 LEU A 28 8.511 48.129 36.165 1.00 0.00 C ATOM 444 CD2 LEU A 28 10.128 46.562 37.334 1.00 0.00 C ATOM 0 H LEU A 28 9.048 44.705 32.971 1.00 0.00 H new ATOM 0 HA LEU A 28 7.977 47.204 33.908 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.870 45.396 35.320 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.472 45.717 34.685 1.00 0.00 H new ATOM 0 HG LEU A 28 10.570 47.862 35.714 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.695 48.864 36.949 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.319 48.643 35.223 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.644 47.524 36.431 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.281 47.328 38.095 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.332 45.889 37.652 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.050 45.996 37.198 1.00 0.00 H new ATOM 456 N GLN A 29 10.568 47.204 31.961 1.00 0.00 N ATOM 457 CA GLN A 29 11.451 48.058 31.184 1.00 0.00 C ATOM 458 C GLN A 29 10.635 49.057 30.360 1.00 0.00 C ATOM 459 O GLN A 29 10.923 50.253 30.367 1.00 0.00 O ATOM 460 CB GLN A 29 12.367 47.226 30.285 1.00 0.00 C ATOM 461 CG GLN A 29 13.789 47.172 30.851 1.00 0.00 C ATOM 462 CD GLN A 29 14.618 46.097 30.146 1.00 0.00 C ATOM 463 OE1 GLN A 29 14.559 44.921 30.467 1.00 0.00 O ATOM 464 NE2 GLN A 29 15.394 46.563 29.171 1.00 0.00 N ATOM 0 H GLN A 29 10.627 46.211 31.735 1.00 0.00 H new ATOM 0 HA GLN A 29 12.083 48.617 31.874 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.970 46.215 30.191 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.386 47.655 29.283 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.269 48.143 30.732 1.00 0.00 H new ATOM 0 HG3 GLN A 29 13.751 46.964 31.920 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.396 47.559 28.953 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.987 45.924 28.641 1.00 0.00 H new ATOM 473 N ALA A 30 9.635 48.529 29.671 1.00 0.00 N ATOM 474 CA ALA A 30 8.776 49.359 28.843 1.00 0.00 C ATOM 475 C ALA A 30 8.030 50.356 29.732 1.00 0.00 C ATOM 476 O ALA A 30 7.943 51.539 29.407 1.00 0.00 O ATOM 477 CB ALA A 30 7.826 48.469 28.039 1.00 0.00 C ATOM 0 H ALA A 30 9.400 47.536 29.669 1.00 0.00 H new ATOM 0 HA ALA A 30 9.367 49.932 28.128 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.182 49.092 27.418 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.405 47.799 27.403 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.213 47.881 28.722 1.00 0.00 H new ATOM 483 N ALA A 31 7.508 49.841 30.836 1.00 0.00 N ATOM 484 CA ALA A 31 6.772 50.671 31.773 1.00 0.00 C ATOM 485 C ALA A 31 7.660 51.830 32.230 1.00 0.00 C ATOM 486 O ALA A 31 7.186 52.954 32.393 1.00 0.00 O ATOM 487 CB ALA A 31 6.287 49.813 32.944 1.00 0.00 C ATOM 0 H ALA A 31 7.581 48.859 31.102 1.00 0.00 H new ATOM 0 HA ALA A 31 5.891 51.099 31.295 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.735 50.436 33.647 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.636 49.022 32.571 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.145 49.369 33.449 1.00 0.00 H new ATOM 493 N TYR A 32 8.933 51.517 32.423 1.00 0.00 N ATOM 494 CA TYR A 32 9.892 52.518 32.857 1.00 0.00 C ATOM 495 C TYR A 32 10.220 53.491 31.723 1.00 0.00 C ATOM 496 O TYR A 32 10.712 54.592 31.967 1.00 0.00 O ATOM 497 CB TYR A 32 11.160 51.751 33.238 1.00 0.00 C ATOM 498 CG TYR A 32 11.825 52.248 34.523 1.00 0.00 C ATOM 499 CD1 TYR A 32 12.281 53.547 34.607 1.00 0.00 C ATOM 500 CD2 TYR A 32 11.969 51.395 35.598 1.00 0.00 C ATOM 501 CE1 TYR A 32 12.907 54.014 35.817 1.00 0.00 C ATOM 502 CE2 TYR A 32 12.596 51.862 36.808 1.00 0.00 C ATOM 503 CZ TYR A 32 13.034 53.149 36.858 1.00 0.00 C ATOM 504 OH TYR A 32 13.625 53.590 38.000 1.00 0.00 O ATOM 0 H TYR A 32 9.322 50.584 32.287 1.00 0.00 H new ATOM 0 HA TYR A 32 9.490 53.100 33.687 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.913 50.696 33.354 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.876 51.823 32.419 1.00 0.00 H new ATOM 0 HD1 TYR A 32 12.169 54.214 33.765 1.00 0.00 H new ATOM 0 HD2 TYR A 32 11.612 50.378 35.532 1.00 0.00 H new ATOM 0 HE1 TYR A 32 13.268 55.029 35.896 1.00 0.00 H new ATOM 0 HE2 TYR A 32 12.716 51.205 37.657 1.00 0.00 H new ATOM 0 HH TYR A 32 13.646 52.865 38.659 1.00 0.00 H new ATOM 514 N ARG A 33 9.935 53.050 30.506 1.00 0.00 N ATOM 515 CA ARG A 33 10.193 53.868 29.334 1.00 0.00 C ATOM 516 C ARG A 33 9.084 54.907 29.156 1.00 0.00 C ATOM 517 O ARG A 33 9.288 55.933 28.509 1.00 0.00 O ATOM 518 CB ARG A 33 10.284 53.008 28.072 1.00 0.00 C ATOM 519 CG ARG A 33 10.622 53.863 26.849 1.00 0.00 C ATOM 520 CD ARG A 33 10.507 53.047 25.560 1.00 0.00 C ATOM 521 NE ARG A 33 11.459 53.559 24.549 1.00 0.00 N ATOM 522 CZ ARG A 33 11.296 54.718 23.876 1.00 0.00 C ATOM 523 NH1 ARG A 33 10.215 55.495 24.100 1.00 0.00 N ATOM 524 NH2 ARG A 33 12.210 55.079 22.994 1.00 0.00 N ATOM 0 H ARG A 33 9.528 52.136 30.307 1.00 0.00 H new ATOM 0 HA ARG A 33 11.147 54.373 29.486 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.046 52.240 28.205 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.337 52.493 27.910 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.949 54.719 26.803 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.634 54.257 26.945 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.712 51.996 25.766 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.489 53.103 25.174 1.00 0.00 H new ATOM 0 HE ARG A 33 12.289 53.002 24.348 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.513 55.208 24.782 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.100 56.369 23.587 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.023 54.485 22.830 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.103 55.951 22.477 1.00 0.00 H new ATOM 537 N LEU A 34 7.935 54.604 29.741 1.00 0.00 N ATOM 538 CA LEU A 34 6.792 55.499 29.655 1.00 0.00 C ATOM 539 C LEU A 34 6.913 56.577 30.734 1.00 0.00 C ATOM 540 O LEU A 34 8.002 56.826 31.249 1.00 0.00 O ATOM 541 CB LEU A 34 5.486 54.706 29.720 1.00 0.00 C ATOM 542 CG LEU A 34 5.349 53.553 28.725 1.00 0.00 C ATOM 543 CD1 LEU A 34 4.384 52.487 29.248 1.00 0.00 C ATOM 544 CD2 LEU A 34 4.941 54.067 27.342 1.00 0.00 C ATOM 0 H LEU A 34 7.770 53.752 30.277 1.00 0.00 H new ATOM 0 HA LEU A 34 6.779 56.011 28.693 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.378 54.304 30.728 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.657 55.396 29.562 1.00 0.00 H new ATOM 0 HG LEU A 34 6.324 53.078 28.617 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.305 51.679 28.521 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.757 52.090 30.192 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.401 52.931 29.404 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.851 53.227 26.654 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.983 54.582 27.413 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.698 54.759 26.973 1.00 0.00 H new ATOM 665 N PHE A 43 1.411 50.314 38.677 1.00 0.00 N ATOM 666 CA PHE A 43 1.798 48.920 38.814 1.00 0.00 C ATOM 667 C PHE A 43 0.598 48.054 39.201 1.00 0.00 C ATOM 668 O PHE A 43 0.731 46.842 39.367 1.00 0.00 O ATOM 669 CB PHE A 43 2.842 48.855 39.932 1.00 0.00 C ATOM 670 CG PHE A 43 4.214 48.358 39.472 1.00 0.00 C ATOM 671 CD1 PHE A 43 5.089 49.220 38.889 1.00 0.00 C ATOM 672 CD2 PHE A 43 4.559 47.054 39.647 1.00 0.00 C ATOM 673 CE1 PHE A 43 6.363 48.759 38.463 1.00 0.00 C ATOM 674 CE2 PHE A 43 5.832 46.593 39.222 1.00 0.00 C ATOM 675 CZ PHE A 43 6.708 47.455 38.639 1.00 0.00 C ATOM 0 HA PHE A 43 2.191 48.547 37.868 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.954 49.847 40.369 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.475 48.199 40.721 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.815 50.255 38.750 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.864 46.369 40.110 1.00 0.00 H new ATOM 0 HE1 PHE A 43 7.058 49.444 37.999 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.105 45.558 39.361 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.677 47.104 38.316 1.00 0.00 H new ATOM 685 N GLN A 44 -0.546 48.708 39.335 1.00 0.00 N ATOM 686 CA GLN A 44 -1.769 48.012 39.699 1.00 0.00 C ATOM 687 C GLN A 44 -2.451 47.450 38.451 1.00 0.00 C ATOM 688 O GLN A 44 -2.661 46.242 38.344 1.00 0.00 O ATOM 689 CB GLN A 44 -2.713 48.933 40.474 1.00 0.00 C ATOM 690 CG GLN A 44 -3.711 48.122 41.303 1.00 0.00 C ATOM 691 CD GLN A 44 -4.099 48.871 42.579 1.00 0.00 C ATOM 692 OE1 GLN A 44 -3.645 49.971 42.847 1.00 0.00 O ATOM 693 NE2 GLN A 44 -4.964 48.217 43.349 1.00 0.00 N ATOM 0 H GLN A 44 -0.652 49.713 39.198 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.510 47.179 40.353 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.135 49.584 41.129 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.251 49.577 39.778 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.603 47.920 40.710 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.275 47.157 41.562 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.305 47.298 43.066 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.286 48.634 44.222 1.00 0.00 H new ATOM 702 N GLN A 45 -2.780 48.352 37.538 1.00 0.00 N ATOM 703 CA GLN A 45 -3.435 47.961 36.300 1.00 0.00 C ATOM 704 C GLN A 45 -2.586 46.930 35.553 1.00 0.00 C ATOM 705 O GLN A 45 -3.080 46.245 34.659 1.00 0.00 O ATOM 706 CB GLN A 45 -3.717 49.179 35.421 1.00 0.00 C ATOM 707 CG GLN A 45 -2.534 50.151 35.432 1.00 0.00 C ATOM 708 CD GLN A 45 -2.892 51.442 36.170 1.00 0.00 C ATOM 709 OE1 GLN A 45 -2.725 51.568 37.372 1.00 0.00 O ATOM 710 NE2 GLN A 45 -3.391 52.393 35.385 1.00 0.00 N ATOM 0 H GLN A 45 -2.605 49.353 37.630 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.393 47.503 36.547 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.917 48.856 34.399 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.613 49.688 35.776 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.676 49.680 35.912 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.240 50.383 34.408 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.505 52.222 34.386 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.660 53.293 35.782 1.00 0.00 H new ATOM 719 N LEU A 46 -1.323 46.854 35.946 1.00 0.00 N ATOM 720 CA LEU A 46 -0.401 45.919 35.325 1.00 0.00 C ATOM 721 C LEU A 46 -0.583 44.535 35.955 1.00 0.00 C ATOM 722 O LEU A 46 -0.816 43.555 35.249 1.00 0.00 O ATOM 723 CB LEU A 46 1.033 46.446 35.405 1.00 0.00 C ATOM 724 CG LEU A 46 1.795 46.519 34.080 1.00 0.00 C ATOM 725 CD1 LEU A 46 3.037 47.403 34.210 1.00 0.00 C ATOM 726 CD2 LEU A 46 2.141 45.119 33.569 1.00 0.00 C ATOM 0 H LEU A 46 -0.917 47.425 36.687 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.620 45.818 34.262 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.009 47.444 35.843 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.595 45.811 36.090 1.00 0.00 H new ATOM 0 HG LEU A 46 1.145 46.982 33.338 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.560 47.438 33.255 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.738 48.411 34.497 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.699 46.991 34.971 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.682 45.199 32.626 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.764 44.608 34.303 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.224 44.551 33.414 1.00 0.00 H new ATOM 738 N ARG A 47 -0.469 44.501 37.274 1.00 0.00 N ATOM 739 CA ARG A 47 -0.617 43.255 38.006 1.00 0.00 C ATOM 740 C ARG A 47 -1.919 42.558 37.606 1.00 0.00 C ATOM 741 O ARG A 47 -2.063 41.350 37.793 1.00 0.00 O ATOM 742 CB ARG A 47 -0.620 43.500 39.515 1.00 0.00 C ATOM 743 CG ARG A 47 -0.280 42.219 40.280 1.00 0.00 C ATOM 744 CD ARG A 47 0.887 42.448 41.243 1.00 0.00 C ATOM 745 NE ARG A 47 1.834 41.313 41.170 1.00 0.00 N ATOM 746 CZ ARG A 47 3.044 41.298 41.767 1.00 0.00 C ATOM 747 NH1 ARG A 47 3.467 42.360 42.487 1.00 0.00 N ATOM 748 NH2 ARG A 47 3.810 40.230 41.635 1.00 0.00 N ATOM 0 H ARG A 47 -0.276 45.317 37.855 1.00 0.00 H new ATOM 0 HA ARG A 47 0.232 42.619 37.755 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.103 44.278 39.762 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.599 43.864 39.826 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.154 41.881 40.836 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.025 41.427 39.575 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.400 43.377 40.992 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.513 42.556 42.261 1.00 0.00 H new ATOM 0 HE ARG A 47 1.555 40.491 40.635 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.870 43.182 42.583 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.383 42.340 42.935 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.484 39.433 41.088 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.727 40.202 42.080 1.00 0.00 H new ATOM 761 N ARG A 48 -2.835 43.348 37.065 1.00 0.00 N ATOM 762 CA ARG A 48 -4.120 42.821 36.638 1.00 0.00 C ATOM 763 C ARG A 48 -3.946 41.930 35.407 1.00 0.00 C ATOM 764 O ARG A 48 -4.459 40.813 35.366 1.00 0.00 O ATOM 765 CB ARG A 48 -5.096 43.951 36.307 1.00 0.00 C ATOM 766 CG ARG A 48 -6.225 44.021 37.337 1.00 0.00 C ATOM 767 CD ARG A 48 -7.316 44.996 36.891 1.00 0.00 C ATOM 768 NE ARG A 48 -6.830 46.388 37.010 1.00 0.00 N ATOM 769 CZ ARG A 48 -7.330 47.427 36.308 1.00 0.00 C ATOM 770 NH1 ARG A 48 -8.338 47.239 35.430 1.00 0.00 N ATOM 771 NH2 ARG A 48 -6.819 48.630 36.493 1.00 0.00 N ATOM 0 H ARG A 48 -2.713 44.349 36.913 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.527 42.234 37.461 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.563 44.901 36.282 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -5.515 43.795 35.313 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.655 43.029 37.479 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.824 44.335 38.301 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.601 44.789 35.860 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -8.208 44.860 37.502 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.069 46.575 37.663 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.728 46.306 35.293 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.710 48.030 34.904 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.058 48.764 37.158 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.185 49.426 35.970 1.00 0.00 H new ATOM 784 N PHE A 49 -3.219 42.457 34.432 1.00 0.00 N ATOM 785 CA PHE A 49 -2.971 41.723 33.203 1.00 0.00 C ATOM 786 C PHE A 49 -2.102 40.492 33.465 1.00 0.00 C ATOM 787 O PHE A 49 -2.299 39.445 32.849 1.00 0.00 O ATOM 788 CB PHE A 49 -2.223 42.669 32.261 1.00 0.00 C ATOM 789 CG PHE A 49 -1.822 42.031 30.929 1.00 0.00 C ATOM 790 CD1 PHE A 49 -2.762 41.424 30.155 1.00 0.00 C ATOM 791 CD2 PHE A 49 -0.526 42.071 30.518 1.00 0.00 C ATOM 792 CE1 PHE A 49 -2.389 40.833 28.919 1.00 0.00 C ATOM 793 CE2 PHE A 49 -0.153 41.480 29.283 1.00 0.00 C ATOM 794 CZ PHE A 49 -1.093 40.873 28.509 1.00 0.00 C ATOM 0 H PHE A 49 -2.794 43.384 34.469 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.915 41.384 32.775 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.850 43.538 32.062 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.326 43.032 32.763 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.791 41.392 30.481 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.220 42.553 31.132 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.135 40.351 28.304 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.876 41.512 28.958 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.810 40.423 27.569 1.00 0.00 H new ATOM 804 N LEU A 50 -1.159 40.656 34.381 1.00 0.00 N ATOM 805 CA LEU A 50 -0.259 39.571 34.733 1.00 0.00 C ATOM 806 C LEU A 50 -1.034 38.500 35.500 1.00 0.00 C ATOM 807 O LEU A 50 -1.091 37.346 35.077 1.00 0.00 O ATOM 808 CB LEU A 50 0.959 40.109 35.488 1.00 0.00 C ATOM 809 CG LEU A 50 1.752 41.212 34.784 1.00 0.00 C ATOM 810 CD1 LEU A 50 2.608 41.994 35.782 1.00 0.00 C ATOM 811 CD2 LEU A 50 2.587 40.640 33.636 1.00 0.00 C ATOM 0 H LEU A 50 -0.999 41.525 34.891 1.00 0.00 H new ATOM 0 HA LEU A 50 0.136 39.097 33.835 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.624 40.489 36.453 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.633 39.277 35.690 1.00 0.00 H new ATOM 0 HG LEU A 50 1.044 41.916 34.347 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.161 42.772 35.256 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.964 42.452 36.533 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.309 41.316 36.269 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.141 41.445 33.153 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.287 39.902 34.028 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.929 40.165 32.909 1.00 0.00 H new ATOM 823 N LYS A 51 -1.614 38.919 36.616 1.00 0.00 N ATOM 824 CA LYS A 51 -2.385 38.009 37.446 1.00 0.00 C ATOM 825 C LYS A 51 -3.477 37.353 36.599 1.00 0.00 C ATOM 826 O LYS A 51 -3.928 36.251 36.906 1.00 0.00 O ATOM 827 CB LYS A 51 -2.918 38.734 38.683 1.00 0.00 C ATOM 828 CG LYS A 51 -3.358 37.737 39.757 1.00 0.00 C ATOM 829 CD LYS A 51 -2.184 37.351 40.659 1.00 0.00 C ATOM 830 CE LYS A 51 -2.355 37.939 42.062 1.00 0.00 C ATOM 831 NZ LYS A 51 -3.344 37.155 42.835 1.00 0.00 N ATOM 0 H LYS A 51 -1.565 39.876 36.964 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.750 37.207 37.824 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.146 39.390 39.085 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.760 39.367 38.403 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.156 38.173 40.358 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.767 36.844 39.284 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.111 36.265 40.722 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.252 37.709 40.222 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.397 37.940 42.582 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.680 38.977 41.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.448 37.567 43.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.262 37.175 42.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.018 36.171 42.919 1.00 0.00 H new ATOM 844 N LEU A 52 -3.872 38.059 35.549 1.00 0.00 N ATOM 845 CA LEU A 52 -4.902 37.559 34.655 1.00 0.00 C ATOM 846 C LEU A 52 -4.353 36.368 33.867 1.00 0.00 C ATOM 847 O LEU A 52 -4.937 35.285 33.887 1.00 0.00 O ATOM 848 CB LEU A 52 -5.438 38.687 33.771 1.00 0.00 C ATOM 849 CG LEU A 52 -6.318 38.258 32.596 1.00 0.00 C ATOM 850 CD1 LEU A 52 -7.237 39.398 32.154 1.00 0.00 C ATOM 851 CD2 LEU A 52 -5.469 37.726 31.440 1.00 0.00 C ATOM 0 H LEU A 52 -3.497 38.974 35.298 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.758 37.198 35.225 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.011 39.371 34.397 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.590 39.248 33.378 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.957 37.440 32.929 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.852 39.066 31.317 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.881 39.689 32.984 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.634 40.252 31.845 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.120 37.428 30.618 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.788 38.506 31.100 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.893 36.864 31.778 1.00 0.00 H new ATOM 863 N ALA A 53 -3.240 36.608 33.192 1.00 0.00 N ATOM 864 CA ALA A 53 -2.606 35.569 32.397 1.00 0.00 C ATOM 865 C ALA A 53 -2.317 34.359 33.288 1.00 0.00 C ATOM 866 O ALA A 53 -2.334 33.221 32.820 1.00 0.00 O ATOM 867 CB ALA A 53 -1.341 36.126 31.742 1.00 0.00 C ATOM 0 H ALA A 53 -2.759 37.508 33.179 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.268 35.240 31.596 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.866 35.346 31.146 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.604 36.965 31.098 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.650 36.464 32.514 1.00 0.00 H new ATOM 873 N LEU A 54 -2.057 34.645 34.555 1.00 0.00 N ATOM 874 CA LEU A 54 -1.764 33.594 35.515 1.00 0.00 C ATOM 875 C LEU A 54 -2.983 32.681 35.652 1.00 0.00 C ATOM 876 O LEU A 54 -2.885 31.587 36.207 1.00 0.00 O ATOM 877 CB LEU A 54 -1.295 34.196 36.841 1.00 0.00 C ATOM 878 CG LEU A 54 0.036 33.670 37.383 1.00 0.00 C ATOM 879 CD1 LEU A 54 1.090 33.602 36.275 1.00 0.00 C ATOM 880 CD2 LEU A 54 0.511 34.501 38.575 1.00 0.00 C ATOM 0 H LEU A 54 -2.043 35.590 34.939 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.939 32.975 35.163 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.213 35.276 36.718 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.066 34.018 37.591 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.120 32.653 37.743 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.026 33.225 36.686 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.745 32.934 35.486 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.250 34.598 35.863 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.459 34.105 38.940 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.646 35.537 38.265 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.232 34.454 39.371 1.00 0.00 H new ATOM 892 N LYS A 55 -4.105 33.162 35.137 1.00 0.00 N ATOM 893 CA LYS A 55 -5.342 32.402 35.195 1.00 0.00 C ATOM 894 C LYS A 55 -5.242 31.201 34.253 1.00 0.00 C ATOM 895 O LYS A 55 -6.126 30.344 34.236 1.00 0.00 O ATOM 896 CB LYS A 55 -6.541 33.309 34.910 1.00 0.00 C ATOM 897 CG LYS A 55 -7.858 32.582 35.194 1.00 0.00 C ATOM 898 CD LYS A 55 -8.587 33.213 36.382 1.00 0.00 C ATOM 899 CE LYS A 55 -9.618 32.247 36.969 1.00 0.00 C ATOM 900 NZ LYS A 55 -10.742 32.994 37.575 1.00 0.00 N ATOM 0 H LYS A 55 -4.183 34.069 34.677 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.501 32.008 36.199 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.477 34.207 35.525 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.517 33.633 33.870 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.495 32.618 34.311 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.660 31.530 35.401 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.865 33.491 37.150 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.083 34.130 36.064 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.992 31.586 36.187 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.146 31.615 37.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.432 32.323 37.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.382 33.606 38.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.202 33.578 36.848 1.00 0.00 H new ATOM 913 N THR A 56 -4.158 31.175 33.490 1.00 0.00 N ATOM 914 CA THR A 56 -3.932 30.093 32.548 1.00 0.00 C ATOM 915 C THR A 56 -2.432 29.865 32.350 1.00 0.00 C ATOM 916 O THR A 56 -1.793 30.563 31.564 1.00 0.00 O ATOM 917 CB THR A 56 -4.672 30.431 31.253 1.00 0.00 C ATOM 918 OG1 THR A 56 -4.507 29.268 30.445 1.00 0.00 O ATOM 919 CG2 THR A 56 -3.981 31.540 30.456 1.00 0.00 C ATOM 0 H THR A 56 -3.427 31.886 33.506 1.00 0.00 H new ATOM 0 HA THR A 56 -4.326 29.150 32.926 1.00 0.00 H new ATOM 0 HB THR A 56 -5.693 30.734 31.487 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.086 29.333 29.657 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.547 31.741 29.546 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.932 32.446 31.060 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.972 31.224 30.193 1.00 0.00 H new ATOM 927 N PRO A 57 -1.900 28.857 33.094 1.00 0.00 N ATOM 928 CA PRO A 57 -0.487 28.528 33.007 1.00 0.00 C ATOM 929 C PRO A 57 -0.178 27.780 31.710 1.00 0.00 C ATOM 930 O PRO A 57 0.150 26.594 31.736 1.00 0.00 O ATOM 931 CB PRO A 57 -0.198 27.706 34.252 1.00 0.00 C ATOM 932 CG PRO A 57 -1.547 27.213 34.749 1.00 0.00 C ATOM 933 CD PRO A 57 -2.626 28.010 34.034 1.00 0.00 C ATOM 0 HA PRO A 57 0.150 29.412 32.973 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.463 26.870 34.023 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.301 28.309 35.011 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.662 26.148 34.548 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.627 27.344 35.828 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.326 27.354 33.517 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.208 28.607 34.736 1.00 0.00 H new ATOM 941 N ILE A 58 -0.291 28.502 30.605 1.00 0.00 N ATOM 942 CA ILE A 58 -0.028 27.920 29.300 1.00 0.00 C ATOM 943 C ILE A 58 1.132 28.667 28.638 1.00 0.00 C ATOM 944 O ILE A 58 1.783 28.138 27.739 1.00 0.00 O ATOM 945 CB ILE A 58 -1.304 27.895 28.456 1.00 0.00 C ATOM 946 CG1 ILE A 58 -1.005 28.242 26.997 1.00 0.00 C ATOM 947 CG2 ILE A 58 -2.375 28.810 29.055 1.00 0.00 C ATOM 948 CD1 ILE A 58 -0.140 27.162 26.343 1.00 0.00 C ATOM 0 H ILE A 58 -0.561 29.485 30.587 1.00 0.00 H new ATOM 0 HA ILE A 58 0.279 26.879 29.403 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.702 26.880 28.469 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.939 28.348 26.446 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.494 29.203 26.945 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.272 28.774 28.436 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.617 28.475 30.064 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.000 29.833 29.092 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.058 27.433 25.306 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.803 27.076 26.882 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.665 26.207 26.375 1.00 0.00 H new ATOM 960 N TRP A 59 1.353 29.887 29.108 1.00 0.00 N ATOM 961 CA TRP A 59 2.422 30.711 28.573 1.00 0.00 C ATOM 962 C TRP A 59 3.650 30.533 29.467 1.00 0.00 C ATOM 963 O TRP A 59 4.776 30.777 29.037 1.00 0.00 O ATOM 964 CB TRP A 59 1.979 32.171 28.450 1.00 0.00 C ATOM 965 CG TRP A 59 1.200 32.689 29.660 1.00 0.00 C ATOM 966 CD1 TRP A 59 -0.088 32.476 29.965 1.00 0.00 C ATOM 967 CD2 TRP A 59 1.713 33.520 30.723 1.00 0.00 C ATOM 968 NE1 TRP A 59 -0.441 33.106 31.140 1.00 0.00 N ATOM 969 CE2 TRP A 59 0.689 33.761 31.617 1.00 0.00 C ATOM 970 CE3 TRP A 59 3.000 34.050 30.922 1.00 0.00 C ATOM 971 CZ2 TRP A 59 0.846 34.538 32.770 1.00 0.00 C ATOM 972 CZ3 TRP A 59 3.140 34.824 32.080 1.00 0.00 C ATOM 973 CH2 TRP A 59 2.119 35.076 32.990 1.00 0.00 C ATOM 0 H TRP A 59 0.810 30.323 29.853 1.00 0.00 H new ATOM 0 HA TRP A 59 2.680 30.398 27.561 1.00 0.00 H new ATOM 0 HB2 TRP A 59 2.860 32.796 28.303 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.360 32.278 27.559 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -0.765 31.885 29.366 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.362 33.094 31.579 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.816 33.874 30.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.028 34.713 33.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 4.109 35.256 32.281 1.00 0.00 H new ATOM 0 HH2 TRP A 59 2.308 35.684 33.862 1.00 0.00 H new ATOM 984 N LEU A 60 3.391 30.109 30.696 1.00 0.00 N ATOM 985 CA LEU A 60 4.462 29.895 31.654 1.00 0.00 C ATOM 986 C LEU A 60 5.295 28.687 31.220 1.00 0.00 C ATOM 987 O LEU A 60 6.508 28.797 31.044 1.00 0.00 O ATOM 988 CB LEU A 60 3.896 29.774 33.071 1.00 0.00 C ATOM 989 CG LEU A 60 4.309 30.871 34.054 1.00 0.00 C ATOM 990 CD1 LEU A 60 4.401 32.228 33.353 1.00 0.00 C ATOM 991 CD2 LEU A 60 3.366 30.911 35.259 1.00 0.00 C ATOM 0 H LEU A 60 2.456 29.908 31.050 1.00 0.00 H new ATOM 0 HA LEU A 60 5.132 30.754 31.675 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.808 29.762 33.007 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.201 28.812 33.482 1.00 0.00 H new ATOM 0 HG LEU A 60 5.304 30.635 34.432 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.696 32.991 34.074 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.142 32.176 32.556 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.430 32.485 32.930 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.682 31.699 35.942 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.350 31.111 34.919 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.394 29.951 35.775 1.00 0.00 H new ATOM 1003 N ASN A 61 4.612 27.563 31.061 1.00 0.00 N ATOM 1004 CA ASN A 61 5.275 26.337 30.651 1.00 0.00 C ATOM 1005 C ASN A 61 6.238 26.642 29.503 1.00 0.00 C ATOM 1006 O ASN A 61 7.442 26.415 29.620 1.00 0.00 O ATOM 1007 CB ASN A 61 4.262 25.303 30.155 1.00 0.00 C ATOM 1008 CG ASN A 61 4.269 24.058 31.045 1.00 0.00 C ATOM 1009 OD1 ASN A 61 4.933 23.997 32.066 1.00 0.00 O ATOM 1010 ND2 ASN A 61 3.494 23.072 30.601 1.00 0.00 N ATOM 0 H ASN A 61 3.607 27.476 31.209 1.00 0.00 H new ATOM 0 HA ASN A 61 5.807 25.937 31.514 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.264 25.742 30.145 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.497 25.022 29.128 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.430 22.199 31.124 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.964 23.189 29.737 1.00 0.00 H new ATOM 1017 N PRO A 62 5.660 27.166 28.389 1.00 0.00 N ATOM 1018 CA PRO A 62 6.453 27.505 27.221 1.00 0.00 C ATOM 1019 C PRO A 62 7.251 28.791 27.454 1.00 0.00 C ATOM 1020 O PRO A 62 8.157 29.110 26.687 1.00 0.00 O ATOM 1021 CB PRO A 62 5.451 27.626 26.085 1.00 0.00 C ATOM 1022 CG PRO A 62 4.094 27.808 26.745 1.00 0.00 C ATOM 1023 CD PRO A 62 4.238 27.449 28.214 1.00 0.00 C ATOM 0 HA PRO A 62 7.206 26.751 26.991 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.690 28.473 25.442 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.464 26.736 25.456 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.751 28.837 26.635 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.349 27.171 26.268 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.916 28.269 28.855 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.627 26.584 28.472 1.00 0.00 H new ATOM 1031 N ILE A 63 6.883 29.492 28.516 1.00 0.00 N ATOM 1032 CA ILE A 63 7.553 30.736 28.859 1.00 0.00 C ATOM 1033 C ILE A 63 7.882 31.504 27.578 1.00 0.00 C ATOM 1034 O ILE A 63 8.962 31.341 27.013 1.00 0.00 O ATOM 1035 CB ILE A 63 8.772 30.462 29.743 1.00 0.00 C ATOM 1036 CG1 ILE A 63 9.401 31.768 30.230 1.00 0.00 C ATOM 1037 CG2 ILE A 63 9.784 29.573 29.019 1.00 0.00 C ATOM 1038 CD1 ILE A 63 8.327 32.748 30.711 1.00 0.00 C ATOM 0 H ILE A 63 6.131 29.223 29.150 1.00 0.00 H new ATOM 0 HA ILE A 63 6.895 31.372 29.451 1.00 0.00 H new ATOM 0 HB ILE A 63 8.438 29.917 30.626 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.098 31.560 31.042 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.977 32.221 29.423 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.641 29.393 29.669 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.316 28.622 28.764 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.118 30.069 28.108 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.801 33.668 31.052 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.646 32.973 29.890 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.769 32.301 31.534 1.00 0.00 H new ATOM 1050 N ASP A 64 6.930 32.324 27.156 1.00 0.00 N ATOM 1051 CA ASP A 64 7.106 33.117 25.951 1.00 0.00 C ATOM 1052 C ASP A 64 6.127 34.292 25.973 1.00 0.00 C ATOM 1053 O ASP A 64 4.913 34.095 25.963 1.00 0.00 O ATOM 1054 CB ASP A 64 6.819 32.286 24.699 1.00 0.00 C ATOM 1055 CG ASP A 64 7.329 32.893 23.390 1.00 0.00 C ATOM 1056 OD1 ASP A 64 7.902 33.994 23.377 1.00 0.00 O ATOM 1057 OD2 ASP A 64 7.114 32.180 22.338 1.00 0.00 O ATOM 0 H ASP A 64 6.035 32.456 27.627 1.00 0.00 H new ATOM 0 HA ASP A 64 8.138 33.466 25.924 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.268 31.301 24.824 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.742 32.138 24.618 1.00 0.00 H new ATOM 1063 N TYR A 65 6.691 35.491 26.003 1.00 0.00 N ATOM 1064 CA TYR A 65 5.884 36.698 26.026 1.00 0.00 C ATOM 1065 C TYR A 65 5.035 36.815 24.758 1.00 0.00 C ATOM 1066 O TYR A 65 4.135 37.650 24.684 1.00 0.00 O ATOM 1067 CB TYR A 65 6.871 37.865 26.073 1.00 0.00 C ATOM 1068 CG TYR A 65 6.273 39.166 26.613 1.00 0.00 C ATOM 1069 CD1 TYR A 65 5.418 39.912 25.827 1.00 0.00 C ATOM 1070 CD2 TYR A 65 6.587 39.592 27.888 1.00 0.00 C ATOM 1071 CE1 TYR A 65 4.855 41.135 26.335 1.00 0.00 C ATOM 1072 CE2 TYR A 65 6.024 40.816 28.397 1.00 0.00 C ATOM 1073 CZ TYR A 65 5.185 41.527 27.596 1.00 0.00 C ATOM 1074 OH TYR A 65 4.653 42.683 28.076 1.00 0.00 O ATOM 0 H TYR A 65 7.698 35.652 26.012 1.00 0.00 H new ATOM 0 HA TYR A 65 5.206 36.689 26.879 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.721 37.583 26.694 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.255 38.043 25.069 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.171 39.578 24.830 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.255 39.008 28.504 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.186 41.728 25.730 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.262 41.162 29.392 1.00 0.00 H new ATOM 0 HH TYR A 65 4.112 42.489 28.870 1.00 0.00 H new ATOM 1084 N SER A 66 5.351 35.964 23.792 1.00 0.00 N ATOM 1085 CA SER A 66 4.630 35.962 22.532 1.00 0.00 C ATOM 1086 C SER A 66 3.166 35.583 22.768 1.00 0.00 C ATOM 1087 O SER A 66 2.292 35.948 21.983 1.00 0.00 O ATOM 1088 CB SER A 66 5.272 34.999 21.531 1.00 0.00 C ATOM 1089 OG SER A 66 6.193 35.662 20.669 1.00 0.00 O ATOM 0 H SER A 66 6.097 35.271 23.858 1.00 0.00 H new ATOM 0 HA SER A 66 4.676 36.966 22.110 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.788 34.205 22.071 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.493 34.524 20.934 1.00 0.00 H new ATOM 0 HG SER A 66 6.583 35.014 20.046 1.00 0.00 H new ATOM 1095 N LEU A 67 2.944 34.855 23.853 1.00 0.00 N ATOM 1096 CA LEU A 67 1.602 34.422 24.201 1.00 0.00 C ATOM 1097 C LEU A 67 0.953 35.470 25.109 1.00 0.00 C ATOM 1098 O LEU A 67 -0.269 35.501 25.253 1.00 0.00 O ATOM 1099 CB LEU A 67 1.631 33.018 24.807 1.00 0.00 C ATOM 1100 CG LEU A 67 0.271 32.394 25.121 1.00 0.00 C ATOM 1101 CD1 LEU A 67 0.407 30.897 25.408 1.00 0.00 C ATOM 1102 CD2 LEU A 67 -0.422 33.136 26.266 1.00 0.00 C ATOM 0 H LEU A 67 3.671 34.554 24.502 1.00 0.00 H new ATOM 0 HA LEU A 67 0.983 34.345 23.307 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.161 32.358 24.120 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.213 33.053 25.728 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.363 32.497 24.240 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.575 30.478 25.628 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.828 30.396 24.536 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.065 30.749 26.264 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.387 32.672 26.469 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.199 33.087 27.160 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.573 34.178 25.986 1.00 0.00 H new ATOM 1114 N LEU A 68 1.798 36.302 25.696 1.00 0.00 N ATOM 1115 CA LEU A 68 1.323 37.349 26.586 1.00 0.00 C ATOM 1116 C LEU A 68 0.539 38.383 25.775 1.00 0.00 C ATOM 1117 O LEU A 68 -0.651 38.588 26.010 1.00 0.00 O ATOM 1118 CB LEU A 68 2.485 37.944 27.383 1.00 0.00 C ATOM 1119 CG LEU A 68 2.601 37.492 28.839 1.00 0.00 C ATOM 1120 CD1 LEU A 68 3.595 38.366 29.608 1.00 0.00 C ATOM 1121 CD2 LEU A 68 1.228 37.459 29.514 1.00 0.00 C ATOM 0 H LEU A 68 2.810 36.274 25.574 1.00 0.00 H new ATOM 0 HA LEU A 68 0.638 36.938 27.327 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.415 37.696 26.871 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.392 39.030 27.367 1.00 0.00 H new ATOM 0 HG LEU A 68 2.991 36.474 28.850 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.658 38.023 30.641 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.578 38.296 29.142 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.258 39.402 29.590 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.339 37.134 30.549 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.788 38.456 29.492 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.578 36.763 28.983 1.00 0.00 H new ATOM 1133 N ALA A 69 1.238 39.008 24.839 1.00 0.00 N ATOM 1134 CA ALA A 69 0.621 40.016 23.993 1.00 0.00 C ATOM 1135 C ALA A 69 -0.642 39.436 23.355 1.00 0.00 C ATOM 1136 O ALA A 69 -1.518 40.181 22.916 1.00 0.00 O ATOM 1137 CB ALA A 69 1.634 40.496 22.951 1.00 0.00 C ATOM 0 H ALA A 69 2.225 38.836 24.648 1.00 0.00 H new ATOM 0 HA ALA A 69 0.323 40.883 24.582 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.172 41.252 22.316 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.499 40.925 23.456 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.953 39.653 22.338 1.00 0.00 H new ATOM 1143 N SER A 70 -0.697 38.113 23.321 1.00 0.00 N ATOM 1144 CA SER A 70 -1.839 37.425 22.743 1.00 0.00 C ATOM 1145 C SER A 70 -3.042 37.531 23.682 1.00 0.00 C ATOM 1146 O SER A 70 -4.187 37.457 23.239 1.00 0.00 O ATOM 1147 CB SER A 70 -1.513 35.957 22.461 1.00 0.00 C ATOM 1148 OG SER A 70 -2.493 35.343 21.630 1.00 0.00 O ATOM 0 H SER A 70 0.031 37.499 23.685 1.00 0.00 H new ATOM 0 HA SER A 70 -2.083 37.903 21.794 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.537 35.888 21.982 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.445 35.413 23.403 1.00 0.00 H new ATOM 0 HG SER A 70 -2.248 34.407 21.472 1.00 0.00 H new ATOM 1154 N LEU A 71 -2.742 37.701 24.961 1.00 0.00 N ATOM 1155 CA LEU A 71 -3.786 37.818 25.965 1.00 0.00 C ATOM 1156 C LEU A 71 -4.441 39.196 25.856 1.00 0.00 C ATOM 1157 O LEU A 71 -5.370 39.507 26.601 1.00 0.00 O ATOM 1158 CB LEU A 71 -3.227 37.511 27.356 1.00 0.00 C ATOM 1159 CG LEU A 71 -3.630 36.164 27.959 1.00 0.00 C ATOM 1160 CD1 LEU A 71 -2.452 35.189 27.957 1.00 0.00 C ATOM 1161 CD2 LEU A 71 -4.221 36.345 29.358 1.00 0.00 C ATOM 0 H LEU A 71 -1.791 37.761 25.325 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.568 37.079 25.790 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.139 37.553 27.306 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.546 38.301 28.036 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.410 35.729 27.334 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.765 34.239 28.391 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.116 35.027 26.933 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.634 35.605 28.546 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.499 35.372 29.764 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.481 36.811 30.008 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.105 36.980 29.300 1.00 0.00 H new ATOM 1173 N ILE A 72 -3.934 39.985 24.921 1.00 0.00 N ATOM 1174 CA ILE A 72 -4.459 41.322 24.704 1.00 0.00 C ATOM 1175 C ILE A 72 -5.044 41.414 23.293 1.00 0.00 C ATOM 1176 O ILE A 72 -4.406 41.944 22.385 1.00 0.00 O ATOM 1177 CB ILE A 72 -3.384 42.373 24.993 1.00 0.00 C ATOM 1178 CG1 ILE A 72 -2.711 42.113 26.342 1.00 0.00 C ATOM 1179 CG2 ILE A 72 -3.963 43.788 24.904 1.00 0.00 C ATOM 1180 CD1 ILE A 72 -1.801 43.278 26.735 1.00 0.00 C ATOM 0 H ILE A 72 -3.165 39.724 24.304 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.272 41.529 25.400 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.612 42.292 24.228 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.471 41.966 27.109 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.128 41.193 26.290 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.179 44.516 25.113 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.357 43.957 23.902 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.766 43.899 25.633 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.335 43.067 27.698 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.027 43.407 25.978 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.391 44.191 26.810 1.00 0.00 H new ATOM 1192 N PRO A 73 -6.285 40.875 23.151 1.00 0.00 N ATOM 1193 CA PRO A 73 -6.964 40.890 21.866 1.00 0.00 C ATOM 1194 C PRO A 73 -7.496 42.288 21.544 1.00 0.00 C ATOM 1195 O PRO A 73 -8.552 42.682 22.036 1.00 0.00 O ATOM 1196 CB PRO A 73 -8.064 39.849 21.991 1.00 0.00 C ATOM 1197 CG PRO A 73 -8.258 39.623 23.481 1.00 0.00 C ATOM 1198 CD PRO A 73 -7.071 40.239 24.204 1.00 0.00 C ATOM 0 HA PRO A 73 -6.300 40.650 21.036 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.986 40.198 21.526 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.784 38.923 21.489 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.189 40.079 23.818 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.327 38.557 23.700 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.395 40.965 24.950 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.490 39.481 24.729 1.00 0.00 H new ATOM 1206 N LYS A 74 -6.740 42.999 20.720 1.00 0.00 N ATOM 1207 CA LYS A 74 -7.124 44.345 20.327 1.00 0.00 C ATOM 1208 C LYS A 74 -6.819 45.312 21.471 1.00 0.00 C ATOM 1209 O LYS A 74 -6.827 44.921 22.638 1.00 0.00 O ATOM 1210 CB LYS A 74 -8.583 44.374 19.868 1.00 0.00 C ATOM 1211 CG LYS A 74 -8.705 44.967 18.463 1.00 0.00 C ATOM 1212 CD LYS A 74 -8.489 46.483 18.488 1.00 0.00 C ATOM 1213 CE LYS A 74 -9.248 47.162 17.347 1.00 0.00 C ATOM 1214 NZ LYS A 74 -8.502 47.027 16.075 1.00 0.00 N ATOM 0 H LYS A 74 -5.864 42.669 20.314 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.538 44.673 19.468 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.991 43.363 19.876 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.176 44.963 20.568 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.972 44.502 17.803 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.690 44.743 18.054 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.824 46.886 19.444 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.425 46.704 18.404 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.237 46.716 17.244 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.396 48.217 17.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.031 47.493 15.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.568 47.473 16.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.382 46.019 15.848 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.557 46.556 21.099 1.00 0.00 N ATOM 1228 CA GLY A 75 -6.251 47.583 22.080 1.00 0.00 C ATOM 1229 C GLY A 75 -7.051 47.368 23.367 1.00 0.00 C ATOM 1230 O GLY A 75 -8.279 47.426 23.355 1.00 0.00 O ATOM 0 H GLY A 75 -6.550 46.876 20.131 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.184 47.570 22.304 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.478 48.565 21.666 1.00 0.00 H new ATOM 1234 N TYR A 76 -6.322 47.123 24.445 1.00 0.00 N ATOM 1235 CA TYR A 76 -6.948 46.899 25.737 1.00 0.00 C ATOM 1236 C TYR A 76 -7.035 48.201 26.538 1.00 0.00 C ATOM 1237 O TYR A 76 -6.634 49.258 26.055 1.00 0.00 O ATOM 1238 CB TYR A 76 -6.041 45.918 26.481 1.00 0.00 C ATOM 1239 CG TYR A 76 -6.725 44.603 26.861 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -7.633 44.023 25.998 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -6.437 43.998 28.068 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -8.278 42.786 26.356 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -7.082 42.762 28.426 1.00 0.00 C ATOM 1244 CZ TYR A 76 -7.970 42.216 27.553 1.00 0.00 C ATOM 1245 OH TYR A 76 -8.579 41.048 27.890 1.00 0.00 O ATOM 0 H TYR A 76 -5.303 47.075 24.451 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.962 46.519 25.611 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.174 45.698 25.859 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.670 46.398 27.387 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.860 44.497 25.054 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.728 44.452 28.744 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.990 42.321 25.690 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.865 42.279 29.367 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.263 40.756 28.771 1.00 0.00 H new ATOM 1255 N PRO A 77 -7.576 48.076 27.779 1.00 0.00 N ATOM 1256 CA PRO A 77 -7.720 49.230 28.651 1.00 0.00 C ATOM 1257 C PRO A 77 -6.371 49.643 29.242 1.00 0.00 C ATOM 1258 O PRO A 77 -5.350 49.017 28.963 1.00 0.00 O ATOM 1259 CB PRO A 77 -8.726 48.801 29.707 1.00 0.00 C ATOM 1260 CG PRO A 77 -8.754 47.282 29.662 1.00 0.00 C ATOM 1261 CD PRO A 77 -8.062 46.840 28.384 1.00 0.00 C ATOM 0 HA PRO A 77 -8.071 50.116 28.122 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.432 49.157 30.694 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -9.712 49.216 29.499 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.249 46.865 30.533 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.781 46.918 29.685 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.242 46.153 28.595 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.752 46.319 27.720 1.00 0.00 H new ATOM 1269 N GLY A 78 -6.411 50.694 30.047 1.00 0.00 N ATOM 1270 CA GLY A 78 -5.205 51.199 30.680 1.00 0.00 C ATOM 1271 C GLY A 78 -4.053 51.284 29.675 1.00 0.00 C ATOM 1272 O GLY A 78 -4.257 51.111 28.475 1.00 0.00 O ATOM 0 H GLY A 78 -7.261 51.210 30.276 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.397 52.185 31.103 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.924 50.547 31.507 1.00 0.00 H new ATOM 1276 N ARG A 79 -2.868 51.550 30.204 1.00 0.00 N ATOM 1277 CA ARG A 79 -1.684 51.661 29.370 1.00 0.00 C ATOM 1278 C ARG A 79 -0.852 50.379 29.456 1.00 0.00 C ATOM 1279 O ARG A 79 0.340 50.387 29.155 1.00 0.00 O ATOM 1280 CB ARG A 79 -0.820 52.850 29.793 1.00 0.00 C ATOM 1281 CG ARG A 79 -1.032 54.042 28.858 1.00 0.00 C ATOM 1282 CD ARG A 79 0.169 54.989 28.895 1.00 0.00 C ATOM 1283 NE ARG A 79 -0.165 56.257 28.209 1.00 0.00 N ATOM 1284 CZ ARG A 79 0.747 57.067 27.630 1.00 0.00 C ATOM 1285 NH1 ARG A 79 2.058 56.748 27.648 1.00 0.00 N ATOM 1286 NH2 ARG A 79 0.336 58.178 27.045 1.00 0.00 N ATOM 0 H ARG A 79 -2.703 51.692 31.200 1.00 0.00 H new ATOM 0 HA ARG A 79 -2.016 51.816 28.343 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.066 53.137 30.815 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.231 52.561 29.787 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -1.188 53.686 27.839 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.934 54.581 29.149 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.453 55.189 29.928 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.027 54.520 28.413 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.145 56.536 28.171 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.368 55.889 28.102 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.739 57.366 27.208 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.657 58.412 27.036 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.011 58.801 26.603 1.00 0.00 H new ATOM 1299 N VAL A 80 -1.515 49.309 29.868 1.00 0.00 N ATOM 1300 CA VAL A 80 -0.853 48.022 29.998 1.00 0.00 C ATOM 1301 C VAL A 80 -0.260 47.620 28.645 1.00 0.00 C ATOM 1302 O VAL A 80 0.881 47.165 28.574 1.00 0.00 O ATOM 1303 CB VAL A 80 -1.829 46.984 30.556 1.00 0.00 C ATOM 1304 CG1 VAL A 80 -1.995 45.812 29.586 1.00 0.00 C ATOM 1305 CG2 VAL A 80 -1.381 46.496 31.935 1.00 0.00 C ATOM 0 H VAL A 80 -2.504 49.307 30.116 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.029 48.086 30.708 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.801 47.464 30.671 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.694 45.088 30.006 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.381 46.179 28.635 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.029 45.333 29.425 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.092 45.759 32.309 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.394 46.041 31.857 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.338 47.340 32.623 1.00 0.00 H new ATOM 1315 N VAL A 81 -1.063 47.801 27.607 1.00 0.00 N ATOM 1316 CA VAL A 81 -0.632 47.462 26.261 1.00 0.00 C ATOM 1317 C VAL A 81 0.498 48.405 25.839 1.00 0.00 C ATOM 1318 O VAL A 81 1.457 47.981 25.196 1.00 0.00 O ATOM 1319 CB VAL A 81 -1.826 47.496 25.305 1.00 0.00 C ATOM 1320 CG1 VAL A 81 -1.408 47.093 23.890 1.00 0.00 C ATOM 1321 CG2 VAL A 81 -2.961 46.606 25.816 1.00 0.00 C ATOM 0 H VAL A 81 -2.009 48.178 27.670 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.237 46.447 26.231 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.195 48.521 25.265 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.276 47.126 23.231 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.648 47.784 23.524 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.002 46.082 23.905 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.798 46.647 25.119 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.608 45.578 25.899 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.287 46.958 26.795 1.00 0.00 H new ATOM 1331 N GLU A 82 0.346 49.666 26.218 1.00 0.00 N ATOM 1332 CA GLU A 82 1.341 50.671 25.887 1.00 0.00 C ATOM 1333 C GLU A 82 2.722 50.234 26.380 1.00 0.00 C ATOM 1334 O GLU A 82 3.738 50.602 25.794 1.00 0.00 O ATOM 1335 CB GLU A 82 0.958 52.034 26.468 1.00 0.00 C ATOM 1336 CG GLU A 82 0.602 53.023 25.356 1.00 0.00 C ATOM 1337 CD GLU A 82 0.842 54.465 25.810 1.00 0.00 C ATOM 1338 OE1 GLU A 82 1.997 54.872 26.000 1.00 0.00 O ATOM 1339 OE2 GLU A 82 -0.227 55.172 25.962 1.00 0.00 O ATOM 0 H GLU A 82 -0.451 50.014 26.751 1.00 0.00 H new ATOM 0 HA GLU A 82 1.379 50.772 24.802 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.110 51.920 27.144 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.786 52.427 27.058 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.201 52.812 24.470 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.443 52.896 25.072 1.00 0.00 H new ATOM 1347 N ILE A 83 2.713 49.455 27.452 1.00 0.00 N ATOM 1348 CA ILE A 83 3.952 48.964 28.031 1.00 0.00 C ATOM 1349 C ILE A 83 4.438 47.753 27.232 1.00 0.00 C ATOM 1350 O ILE A 83 5.606 47.376 27.318 1.00 0.00 O ATOM 1351 CB ILE A 83 3.772 48.684 29.524 1.00 0.00 C ATOM 1352 CG1 ILE A 83 3.134 49.880 30.234 1.00 0.00 C ATOM 1353 CG2 ILE A 83 5.098 48.275 30.169 1.00 0.00 C ATOM 1354 CD1 ILE A 83 2.312 49.426 31.442 1.00 0.00 C ATOM 0 H ILE A 83 1.867 49.152 27.935 1.00 0.00 H new ATOM 0 HA ILE A 83 4.731 49.724 27.965 1.00 0.00 H new ATOM 0 HB ILE A 83 3.088 47.843 29.633 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.911 50.572 30.558 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.494 50.422 29.537 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.942 48.082 31.230 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.474 47.372 29.687 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.824 49.079 30.050 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.870 50.295 31.929 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.521 48.753 31.112 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.959 48.906 32.148 1.00 0.00 H new ATOM 1366 N ILE A 84 3.518 47.179 26.472 1.00 0.00 N ATOM 1367 CA ILE A 84 3.838 46.018 25.658 1.00 0.00 C ATOM 1368 C ILE A 84 4.151 46.472 24.230 1.00 0.00 C ATOM 1369 O ILE A 84 5.039 45.924 23.581 1.00 0.00 O ATOM 1370 CB ILE A 84 2.719 44.979 25.742 1.00 0.00 C ATOM 1371 CG1 ILE A 84 2.380 44.654 27.198 1.00 0.00 C ATOM 1372 CG2 ILE A 84 3.074 43.724 24.943 1.00 0.00 C ATOM 1373 CD1 ILE A 84 1.312 43.562 27.282 1.00 0.00 C ATOM 0 H ILE A 84 2.551 47.496 26.402 1.00 0.00 H new ATOM 0 HA ILE A 84 4.731 45.521 26.038 1.00 0.00 H new ATOM 0 HB ILE A 84 1.823 45.406 25.290 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.280 44.329 27.721 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.026 45.553 27.702 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.261 43.002 25.020 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.226 43.990 23.897 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.988 43.285 25.342 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.090 43.350 28.328 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.406 43.900 26.780 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.679 42.657 26.798 1.00 0.00 H new ATOM 1385 N ASN A 85 3.401 47.470 23.784 1.00 0.00 N ATOM 1386 CA ASN A 85 3.586 48.004 22.445 1.00 0.00 C ATOM 1387 C ASN A 85 5.044 48.431 22.269 1.00 0.00 C ATOM 1388 O ASN A 85 5.571 48.412 21.157 1.00 0.00 O ATOM 1389 CB ASN A 85 2.702 49.231 22.215 1.00 0.00 C ATOM 1390 CG ASN A 85 1.300 48.819 21.764 1.00 0.00 C ATOM 1391 OD1 ASN A 85 1.092 47.772 21.173 1.00 0.00 O ATOM 1392 ND2 ASN A 85 0.351 49.699 22.073 1.00 0.00 N ATOM 0 H ASN A 85 2.665 47.922 24.326 1.00 0.00 H new ATOM 0 HA ASN A 85 3.316 47.226 21.731 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.636 49.814 23.134 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.156 49.875 21.462 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -0.618 49.516 21.814 1.00 0.00 H new ATOM 0 HD22 ASN A 85 0.593 50.557 22.569 1.00 0.00 H new ATOM 1399 N ILE A 86 5.656 48.807 23.382 1.00 0.00 N ATOM 1400 CA ILE A 86 7.044 49.240 23.365 1.00 0.00 C ATOM 1401 C ILE A 86 7.940 48.048 23.022 1.00 0.00 C ATOM 1402 O ILE A 86 8.926 48.195 22.303 1.00 0.00 O ATOM 1403 CB ILE A 86 7.408 49.925 24.683 1.00 0.00 C ATOM 1404 CG1 ILE A 86 6.857 51.351 24.730 1.00 0.00 C ATOM 1405 CG2 ILE A 86 8.919 49.886 24.922 1.00 0.00 C ATOM 1406 CD1 ILE A 86 6.562 51.777 26.170 1.00 0.00 C ATOM 0 H ILE A 86 5.216 48.821 24.302 1.00 0.00 H new ATOM 0 HA ILE A 86 7.200 49.990 22.590 1.00 0.00 H new ATOM 0 HB ILE A 86 6.939 49.372 25.497 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.576 52.038 24.284 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.946 51.413 24.135 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.151 50.380 25.866 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.254 48.850 24.963 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.430 50.401 24.108 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.171 52.795 26.176 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.824 51.103 26.605 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.480 51.738 26.756 1.00 0.00 H new ATOM 1418 N LEU A 87 7.565 46.894 23.554 1.00 0.00 N ATOM 1419 CA LEU A 87 8.323 45.678 23.315 1.00 0.00 C ATOM 1420 C LEU A 87 8.218 45.301 21.835 1.00 0.00 C ATOM 1421 O LEU A 87 9.211 44.919 21.217 1.00 0.00 O ATOM 1422 CB LEU A 87 7.870 44.568 24.266 1.00 0.00 C ATOM 1423 CG LEU A 87 7.792 44.944 25.747 1.00 0.00 C ATOM 1424 CD1 LEU A 87 7.150 43.822 26.564 1.00 0.00 C ATOM 1425 CD2 LEU A 87 9.170 45.331 26.287 1.00 0.00 C ATOM 0 H LEU A 87 6.746 46.776 24.150 1.00 0.00 H new ATOM 0 HA LEU A 87 9.379 45.838 23.530 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.887 44.222 23.947 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.553 43.725 24.161 1.00 0.00 H new ATOM 0 HG LEU A 87 7.151 45.820 25.844 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.107 44.115 27.613 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.141 43.637 26.197 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.745 42.914 26.465 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.087 45.594 27.342 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.854 44.490 26.176 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.552 46.186 25.729 1.00 0.00 H new ATOM 1437 N VAL A 88 7.007 45.419 21.311 1.00 0.00 N ATOM 1438 CA VAL A 88 6.760 45.096 19.916 1.00 0.00 C ATOM 1439 C VAL A 88 7.472 46.117 19.027 1.00 0.00 C ATOM 1440 O VAL A 88 8.172 45.743 18.086 1.00 0.00 O ATOM 1441 CB VAL A 88 5.254 45.024 19.655 1.00 0.00 C ATOM 1442 CG1 VAL A 88 4.946 45.212 18.168 1.00 0.00 C ATOM 1443 CG2 VAL A 88 4.671 43.707 20.173 1.00 0.00 C ATOM 0 H VAL A 88 6.186 45.734 21.828 1.00 0.00 H new ATOM 0 HA VAL A 88 7.166 44.114 19.673 1.00 0.00 H new ATOM 0 HB VAL A 88 4.779 45.839 20.201 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.869 45.156 18.010 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.311 46.186 17.841 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.438 44.428 17.593 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.599 43.681 19.975 1.00 0.00 H new ATOM 0 HG22 VAL A 88 5.154 42.871 19.667 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.844 43.630 21.246 1.00 0.00 H new ATOM 1453 N LYS A 89 7.271 47.384 19.355 1.00 0.00 N ATOM 1454 CA LYS A 89 7.885 48.460 18.598 1.00 0.00 C ATOM 1455 C LYS A 89 9.370 48.547 18.956 1.00 0.00 C ATOM 1456 O LYS A 89 10.103 49.357 18.389 1.00 0.00 O ATOM 1457 CB LYS A 89 7.124 49.769 18.812 1.00 0.00 C ATOM 1458 CG LYS A 89 6.709 50.388 17.475 1.00 0.00 C ATOM 1459 CD LYS A 89 5.222 50.156 17.202 1.00 0.00 C ATOM 1460 CE LYS A 89 5.000 48.837 16.459 1.00 0.00 C ATOM 1461 NZ LYS A 89 5.536 48.920 15.082 1.00 0.00 N ATOM 0 H LYS A 89 6.691 47.690 20.136 1.00 0.00 H new ATOM 0 HA LYS A 89 7.825 48.255 17.529 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.239 49.584 19.421 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.749 50.471 19.363 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.918 51.458 17.485 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.302 49.955 16.670 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.673 50.144 18.144 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.824 50.981 16.612 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.487 48.024 16.997 1.00 0.00 H new ATOM 0 HE3 LYS A 89 3.935 48.605 16.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.014 48.265 14.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.428 49.891 14.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.544 48.663 15.086 1.00 0.00 H new ATOM 1474 N ASN A 90 9.771 47.703 19.896 1.00 0.00 N ATOM 1475 CA ASN A 90 11.155 47.674 20.337 1.00 0.00 C ATOM 1476 C ASN A 90 12.062 47.402 19.135 1.00 0.00 C ATOM 1477 O ASN A 90 13.137 47.989 19.019 1.00 0.00 O ATOM 1478 CB ASN A 90 11.382 46.563 21.364 1.00 0.00 C ATOM 1479 CG ASN A 90 12.763 46.689 22.010 1.00 0.00 C ATOM 1480 OD1 ASN A 90 13.457 47.682 21.864 1.00 0.00 O ATOM 1481 ND2 ASN A 90 13.122 45.630 22.730 1.00 0.00 N ATOM 0 H ASN A 90 9.161 47.034 20.365 1.00 0.00 H new ATOM 0 HA ASN A 90 11.385 48.637 20.792 1.00 0.00 H new ATOM 0 HB2 ASN A 90 10.611 46.610 22.133 1.00 0.00 H new ATOM 0 HB3 ASN A 90 11.290 45.591 20.880 1.00 0.00 H new ATOM 0 HD21 ASN A 90 14.027 45.617 23.201 1.00 0.00 H new ATOM 0 HD22 ASN A 90 12.493 44.831 22.811 1.00 0.00 H new