USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 444 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 102 THR OG1 : rot 80:sc= 0.681 USER MOD Set 1.2: A 103 ASN : amide:sc= 0.275 K(o=0.96,f=-3.5!) USER MOD Set 2.1: A 39 THR OG1 : rot -29:sc= 1.28 USER MOD Set 2.2: A 41 ASN : amide:sc= -0.0388 X(o=1.2,f=1.2) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -154:sc= 1.16 (180deg=0.69) USER MOD Single : A 50 MET CE :methyl -140:sc= -7.89! (180deg=-9.28!) USER MOD Single : A 51 THR OG1 : rot -129:sc= -1.86 USER MOD Single : A 52 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.3) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -152:sc= -2.99 (180deg=-4.49!) USER MOD Single : A 65 SER OG : rot -35:sc= 0.735 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0424 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 149:sc= -0.324! USER MOD Single : A 90 THR OG1 : rot -18:sc= 0.718 USER MOD Single : A 92 THR OG1 : rot -88:sc= 0.414 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -1.78! C(o=-1.8!,f=-8.7!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -21:sc= 0.228 USER MOD Single : A 106 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.35) USER MOD Single : A 107 LYS NZ :NH3+ -128:sc= 0.354 (180deg=-0.775!) USER MOD ----------------------------------------------------------------- ATOM 334 N LEU A 38 -2.263 0.821 -2.156 1.00 0.00 N ATOM 335 CA LEU A 38 -2.365 0.380 -0.771 1.00 0.00 C ATOM 336 C LEU A 38 -1.885 1.466 0.185 1.00 0.00 C ATOM 337 O LEU A 38 -1.059 2.304 -0.174 1.00 0.00 O ATOM 338 CB LEU A 38 -1.538 -0.883 -0.551 1.00 0.00 C ATOM 339 CG LEU A 38 -1.873 -1.659 0.714 1.00 0.00 C ATOM 340 CD1 LEU A 38 -2.972 -2.656 0.422 1.00 0.00 C ATOM 341 CD2 LEU A 38 -0.652 -2.360 1.276 1.00 0.00 C ATOM 0 HA LEU A 38 -3.415 0.168 -0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.673 -1.541 -1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.484 -0.608 -0.522 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.218 -0.953 1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.210 -3.211 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.860 -2.127 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.639 -3.349 -0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.928 -2.904 2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.261 -3.059 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.113 -1.622 1.517 1.00 0.00 H new ATOM 353 N THR A 39 -2.426 1.451 1.392 1.00 0.00 N ATOM 354 CA THR A 39 -2.003 2.362 2.440 1.00 0.00 C ATOM 355 C THR A 39 -1.654 1.602 3.717 1.00 0.00 C ATOM 356 O THR A 39 -1.668 0.370 3.740 1.00 0.00 O ATOM 357 CB THR A 39 -3.077 3.422 2.754 1.00 0.00 C ATOM 358 OG1 THR A 39 -4.200 2.826 3.419 1.00 0.00 O ATOM 359 CG2 THR A 39 -3.539 4.094 1.478 1.00 0.00 C ATOM 0 H THR A 39 -3.168 0.809 1.671 1.00 0.00 H new ATOM 0 HA THR A 39 -1.115 2.874 2.068 1.00 0.00 H new ATOM 0 HB THR A 39 -2.634 4.168 3.414 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.284 1.889 3.143 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.297 4.840 1.714 1.00 0.00 H new ATOM 0 HG22 THR A 39 -2.691 4.579 0.994 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.962 3.347 0.806 1.00 0.00 H new ATOM 367 N ALA A 40 -1.369 2.338 4.785 1.00 0.00 N ATOM 368 CA ALA A 40 -0.982 1.726 6.056 1.00 0.00 C ATOM 369 C ALA A 40 -2.145 0.959 6.664 1.00 0.00 C ATOM 370 O ALA A 40 -1.976 -0.126 7.220 1.00 0.00 O ATOM 371 CB ALA A 40 -0.495 2.788 7.025 1.00 0.00 C ATOM 0 H ALA A 40 -1.398 3.357 4.799 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.171 1.024 5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.210 2.318 7.967 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.368 3.300 6.600 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.292 3.509 7.206 1.00 0.00 H new ATOM 377 N ASN A 41 -3.327 1.534 6.528 1.00 0.00 N ATOM 378 CA ASN A 41 -4.545 0.945 7.060 1.00 0.00 C ATOM 379 C ASN A 41 -4.813 -0.396 6.409 1.00 0.00 C ATOM 380 O ASN A 41 -5.191 -1.361 7.069 1.00 0.00 O ATOM 381 CB ASN A 41 -5.719 1.881 6.812 1.00 0.00 C ATOM 382 CG ASN A 41 -5.563 3.191 7.530 1.00 0.00 C ATOM 383 OD1 ASN A 41 -5.910 3.326 8.703 1.00 0.00 O ATOM 384 ND2 ASN A 41 -5.057 4.168 6.819 1.00 0.00 N ATOM 0 H ASN A 41 -3.470 2.422 6.046 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.421 0.794 8.132 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.815 2.065 5.742 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.641 1.398 7.137 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.935 5.091 7.235 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.785 4.005 5.850 1.00 0.00 H new ATOM 391 N ASP A 42 -4.597 -0.443 5.106 1.00 0.00 N ATOM 392 CA ASP A 42 -4.772 -1.669 4.340 1.00 0.00 C ATOM 393 C ASP A 42 -3.780 -2.730 4.798 1.00 0.00 C ATOM 394 O ASP A 42 -4.100 -3.914 4.845 1.00 0.00 O ATOM 395 CB ASP A 42 -4.577 -1.414 2.849 1.00 0.00 C ATOM 396 CG ASP A 42 -5.562 -0.426 2.269 1.00 0.00 C ATOM 397 OD1 ASP A 42 -6.648 -0.855 1.819 1.00 0.00 O ATOM 398 OD2 ASP A 42 -5.237 0.778 2.237 1.00 0.00 O ATOM 0 H ASP A 42 -4.298 0.359 4.551 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.789 -2.022 4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.565 -1.046 2.682 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.665 -2.359 2.313 1.00 0.00 H new ATOM 403 N VAL A 43 -2.571 -2.297 5.137 1.00 0.00 N ATOM 404 CA VAL A 43 -1.547 -3.203 5.649 1.00 0.00 C ATOM 405 C VAL A 43 -2.029 -3.893 6.921 1.00 0.00 C ATOM 406 O VAL A 43 -1.774 -5.076 7.139 1.00 0.00 O ATOM 407 CB VAL A 43 -0.226 -2.458 5.943 1.00 0.00 C ATOM 408 CG1 VAL A 43 0.762 -3.373 6.636 1.00 0.00 C ATOM 409 CG2 VAL A 43 0.386 -1.935 4.671 1.00 0.00 C ATOM 0 H VAL A 43 -2.275 -1.323 5.067 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.361 -3.949 4.876 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.457 -1.619 6.599 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.685 -2.828 6.834 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.337 -3.721 7.578 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.976 -4.229 5.996 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.315 -1.414 4.902 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.594 -2.767 3.998 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.307 -1.245 4.191 1.00 0.00 H new ATOM 419 N SER A 44 -2.743 -3.145 7.745 1.00 0.00 N ATOM 420 CA SER A 44 -3.280 -3.666 8.991 1.00 0.00 C ATOM 421 C SER A 44 -4.285 -4.791 8.730 1.00 0.00 C ATOM 422 O SER A 44 -4.557 -5.617 9.606 1.00 0.00 O ATOM 423 CB SER A 44 -3.927 -2.535 9.782 1.00 0.00 C ATOM 424 OG SER A 44 -4.272 -2.946 11.093 1.00 0.00 O ATOM 0 H SER A 44 -2.966 -2.165 7.571 1.00 0.00 H new ATOM 0 HA SER A 44 -2.462 -4.086 9.576 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.242 -1.689 9.834 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.820 -2.191 9.261 1.00 0.00 H new ATOM 0 HG SER A 44 -4.683 -2.197 11.573 1.00 0.00 H new ATOM 430 N LYS A 45 -4.823 -4.829 7.514 1.00 0.00 N ATOM 431 CA LYS A 45 -5.778 -5.857 7.128 1.00 0.00 C ATOM 432 C LYS A 45 -5.113 -7.222 6.998 1.00 0.00 C ATOM 433 O LYS A 45 -5.734 -8.245 7.281 1.00 0.00 O ATOM 434 CB LYS A 45 -6.446 -5.495 5.812 1.00 0.00 C ATOM 435 CG LYS A 45 -7.285 -4.233 5.877 1.00 0.00 C ATOM 436 CD LYS A 45 -7.843 -3.897 4.509 1.00 0.00 C ATOM 437 CE LYS A 45 -8.751 -5.004 4.013 1.00 0.00 C ATOM 438 NZ LYS A 45 -9.026 -4.888 2.555 1.00 0.00 N ATOM 0 H LYS A 45 -4.611 -4.155 6.778 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.528 -5.913 7.916 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.679 -5.371 5.048 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.079 -6.325 5.496 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.101 -4.368 6.586 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.679 -3.404 6.243 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.397 -2.960 4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.025 -3.748 3.804 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.291 -5.970 4.219 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.692 -4.975 4.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.937 -5.339 2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.064 -3.884 2.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.269 -5.360 2.020 1.00 0.00 H new ATOM 452 N ILE A 46 -3.859 -7.251 6.557 1.00 0.00 N ATOM 453 CA ILE A 46 -3.169 -8.509 6.375 1.00 0.00 C ATOM 454 C ILE A 46 -2.435 -8.949 7.619 1.00 0.00 C ATOM 455 O ILE A 46 -2.465 -8.288 8.658 1.00 0.00 O ATOM 456 CB ILE A 46 -2.167 -8.501 5.205 1.00 0.00 C ATOM 457 CG1 ILE A 46 -1.078 -7.441 5.378 1.00 0.00 C ATOM 458 CG2 ILE A 46 -2.901 -8.319 3.897 1.00 0.00 C ATOM 459 CD1 ILE A 46 0.056 -7.611 4.393 1.00 0.00 C ATOM 0 H ILE A 46 -3.311 -6.423 6.323 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.967 -9.215 6.145 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.660 -9.466 5.197 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.516 -6.451 5.255 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.684 -7.492 6.393 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.185 -8.315 3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.607 -9.138 3.759 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.442 -7.373 3.912 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.802 -6.833 4.559 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.515 -8.590 4.532 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.330 -7.533 3.377 1.00 0.00 H new ATOM 471 N ARG A 47 -1.780 -10.088 7.487 1.00 0.00 N ATOM 472 CA ARG A 47 -1.077 -10.715 8.587 1.00 0.00 C ATOM 473 C ARG A 47 -0.280 -11.897 8.075 1.00 0.00 C ATOM 474 O ARG A 47 -0.657 -12.539 7.092 1.00 0.00 O ATOM 475 CB ARG A 47 -2.059 -11.177 9.674 1.00 0.00 C ATOM 476 CG ARG A 47 -3.095 -12.189 9.198 1.00 0.00 C ATOM 477 CD ARG A 47 -4.300 -11.510 8.561 1.00 0.00 C ATOM 478 NE ARG A 47 -4.870 -10.476 9.428 1.00 0.00 N ATOM 479 CZ ARG A 47 -6.154 -10.412 9.780 1.00 0.00 C ATOM 480 NH1 ARG A 47 -7.007 -11.354 9.398 1.00 0.00 N ATOM 481 NH2 ARG A 47 -6.584 -9.402 10.527 1.00 0.00 N ATOM 0 H ARG A 47 -1.722 -10.605 6.610 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.401 -9.983 9.028 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.493 -11.615 10.496 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.577 -10.305 10.073 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.637 -12.866 8.477 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.424 -12.796 10.041 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.005 -11.064 7.611 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.062 -12.257 8.339 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.242 -9.757 9.786 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.682 -12.136 8.830 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.988 -11.296 9.673 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.932 -8.678 10.830 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.566 -9.350 10.798 1.00 0.00 H new ATOM 495 N VAL A 48 0.823 -12.168 8.742 1.00 0.00 N ATOM 496 CA VAL A 48 1.694 -13.251 8.365 1.00 0.00 C ATOM 497 C VAL A 48 1.027 -14.580 8.682 1.00 0.00 C ATOM 498 O VAL A 48 0.342 -14.713 9.700 1.00 0.00 O ATOM 499 CB VAL A 48 3.028 -13.164 9.110 1.00 0.00 C ATOM 500 CG1 VAL A 48 4.150 -13.693 8.244 1.00 0.00 C ATOM 501 CG2 VAL A 48 3.303 -11.737 9.535 1.00 0.00 C ATOM 0 H VAL A 48 1.136 -11.642 9.558 1.00 0.00 H new ATOM 0 HA VAL A 48 1.886 -13.178 7.295 1.00 0.00 H new ATOM 0 HB VAL A 48 2.969 -13.781 10.006 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.092 -13.625 8.788 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.953 -14.734 7.989 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.214 -13.102 7.331 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.255 -11.692 10.064 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.346 -11.097 8.654 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.506 -11.394 10.194 1.00 0.00 H new ATOM 511 N GLY A 49 1.221 -15.553 7.817 1.00 0.00 N ATOM 512 CA GLY A 49 0.574 -16.833 7.996 1.00 0.00 C ATOM 513 C GLY A 49 -0.307 -17.182 6.822 1.00 0.00 C ATOM 514 O GLY A 49 -0.523 -18.358 6.526 1.00 0.00 O ATOM 0 H GLY A 49 1.816 -15.483 6.991 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.330 -17.608 8.127 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.024 -16.814 8.907 1.00 0.00 H new ATOM 518 N MET A 50 -0.824 -16.167 6.141 1.00 0.00 N ATOM 519 CA MET A 50 -1.615 -16.418 4.954 1.00 0.00 C ATOM 520 C MET A 50 -0.750 -16.348 3.705 1.00 0.00 C ATOM 521 O MET A 50 0.420 -15.966 3.764 1.00 0.00 O ATOM 522 CB MET A 50 -2.842 -15.502 4.853 1.00 0.00 C ATOM 523 CG MET A 50 -2.568 -14.017 4.910 1.00 0.00 C ATOM 524 SD MET A 50 -4.099 -13.066 4.777 1.00 0.00 S ATOM 525 CE MET A 50 -3.469 -11.408 4.580 1.00 0.00 C ATOM 0 H MET A 50 -0.711 -15.184 6.387 1.00 0.00 H new ATOM 0 HA MET A 50 -2.007 -17.432 5.038 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.357 -15.720 3.918 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.528 -15.756 5.662 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.065 -13.773 5.846 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.892 -13.738 4.102 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.084 -10.715 5.154 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.441 -11.364 4.939 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.497 -11.131 3.526 1.00 0.00 H new ATOM 535 N THR A 51 -1.328 -16.730 2.582 1.00 0.00 N ATOM 536 CA THR A 51 -0.566 -16.943 1.365 1.00 0.00 C ATOM 537 C THR A 51 -0.491 -15.687 0.524 1.00 0.00 C ATOM 538 O THR A 51 -0.946 -14.618 0.939 1.00 0.00 O ATOM 539 CB THR A 51 -1.199 -18.040 0.501 1.00 0.00 C ATOM 540 OG1 THR A 51 -2.405 -17.560 -0.093 1.00 0.00 O ATOM 541 CG2 THR A 51 -1.521 -19.243 1.337 1.00 0.00 C ATOM 0 H THR A 51 -2.329 -16.900 2.487 1.00 0.00 H new ATOM 0 HA THR A 51 0.435 -17.237 1.681 1.00 0.00 H new ATOM 0 HB THR A 51 -0.486 -18.315 -0.276 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.130 -18.198 0.077 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.970 -20.013 0.709 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.606 -19.629 1.787 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.221 -18.963 2.124 1.00 0.00 H new ATOM 549 N GLN A 52 0.057 -15.831 -0.668 1.00 0.00 N ATOM 550 CA GLN A 52 0.064 -14.755 -1.629 1.00 0.00 C ATOM 551 C GLN A 52 -1.356 -14.407 -2.034 1.00 0.00 C ATOM 552 O GLN A 52 -1.739 -13.240 -2.045 1.00 0.00 O ATOM 553 CB GLN A 52 0.849 -15.154 -2.868 1.00 0.00 C ATOM 554 CG GLN A 52 2.335 -15.348 -2.638 1.00 0.00 C ATOM 555 CD GLN A 52 3.049 -15.818 -3.885 1.00 0.00 C ATOM 556 OE1 GLN A 52 2.478 -16.531 -4.710 1.00 0.00 O ATOM 557 NE2 GLN A 52 4.296 -15.411 -4.036 1.00 0.00 N ATOM 0 H GLN A 52 0.504 -16.689 -0.991 1.00 0.00 H new ATOM 0 HA GLN A 52 0.536 -13.888 -1.166 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.432 -16.080 -3.264 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.710 -14.389 -3.632 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.775 -14.409 -2.302 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.486 -16.074 -1.839 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.729 -14.821 -3.326 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.826 -15.687 -4.863 1.00 0.00 H new ATOM 566 N GLN A 53 -2.150 -15.430 -2.340 1.00 0.00 N ATOM 567 CA GLN A 53 -3.501 -15.201 -2.834 1.00 0.00 C ATOM 568 C GLN A 53 -4.340 -14.542 -1.763 1.00 0.00 C ATOM 569 O GLN A 53 -5.195 -13.710 -2.044 1.00 0.00 O ATOM 570 CB GLN A 53 -4.170 -16.503 -3.274 1.00 0.00 C ATOM 571 CG GLN A 53 -4.377 -17.512 -2.172 1.00 0.00 C ATOM 572 CD GLN A 53 -5.403 -18.562 -2.524 1.00 0.00 C ATOM 573 OE1 GLN A 53 -5.076 -19.608 -3.082 1.00 0.00 O ATOM 574 NE2 GLN A 53 -6.652 -18.285 -2.198 1.00 0.00 N ATOM 0 H GLN A 53 -1.885 -16.411 -2.256 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.427 -14.546 -3.702 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.137 -16.266 -3.717 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.564 -16.960 -4.057 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.428 -17.999 -1.949 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.690 -16.994 -1.266 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.875 -17.403 -1.736 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.394 -18.953 -2.408 1.00 0.00 H new ATOM 583 N GLN A 54 -4.077 -14.926 -0.533 1.00 0.00 N ATOM 584 CA GLN A 54 -4.799 -14.390 0.601 1.00 0.00 C ATOM 585 C GLN A 54 -4.454 -12.914 0.800 1.00 0.00 C ATOM 586 O GLN A 54 -5.332 -12.094 1.068 1.00 0.00 O ATOM 587 CB GLN A 54 -4.480 -15.199 1.864 1.00 0.00 C ATOM 588 CG GLN A 54 -4.636 -16.705 1.685 1.00 0.00 C ATOM 589 CD GLN A 54 -5.716 -17.300 2.545 1.00 0.00 C ATOM 590 OE1 GLN A 54 -6.898 -17.256 2.207 1.00 0.00 O ATOM 591 NE2 GLN A 54 -5.306 -17.937 3.618 1.00 0.00 N ATOM 0 H GLN A 54 -3.363 -15.613 -0.291 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.869 -14.467 0.406 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.458 -14.983 2.174 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.134 -14.869 2.671 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.856 -16.918 0.639 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.688 -17.191 1.917 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.315 -17.946 3.858 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.979 -18.423 4.211 1.00 0.00 H new ATOM 600 N VAL A 55 -3.178 -12.574 0.632 1.00 0.00 N ATOM 601 CA VAL A 55 -2.735 -11.200 0.784 1.00 0.00 C ATOM 602 C VAL A 55 -3.145 -10.346 -0.404 1.00 0.00 C ATOM 603 O VAL A 55 -3.679 -9.262 -0.226 1.00 0.00 O ATOM 604 CB VAL A 55 -1.212 -11.116 0.963 1.00 0.00 C ATOM 605 CG1 VAL A 55 -0.736 -9.676 0.854 1.00 0.00 C ATOM 606 CG2 VAL A 55 -0.825 -11.688 2.302 1.00 0.00 C ATOM 0 H VAL A 55 -2.438 -13.233 0.391 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.220 -10.816 1.681 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.736 -11.695 0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.346 -9.640 0.984 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.997 -9.280 -0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.215 -9.075 1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.256 -11.627 2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.313 -11.121 3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.138 -12.731 2.356 1.00 0.00 H new ATOM 616 N ALA A 56 -2.914 -10.840 -1.610 1.00 0.00 N ATOM 617 CA ALA A 56 -3.204 -10.059 -2.806 1.00 0.00 C ATOM 618 C ALA A 56 -4.690 -9.774 -2.916 1.00 0.00 C ATOM 619 O ALA A 56 -5.099 -8.806 -3.543 1.00 0.00 O ATOM 620 CB ALA A 56 -2.702 -10.754 -4.060 1.00 0.00 C ATOM 0 H ALA A 56 -2.531 -11.768 -1.788 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.674 -9.111 -2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.935 -10.144 -4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.623 -10.893 -3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.187 -11.725 -4.157 1.00 0.00 H new ATOM 626 N TYR A 57 -5.500 -10.620 -2.306 1.00 0.00 N ATOM 627 CA TYR A 57 -6.929 -10.395 -2.288 1.00 0.00 C ATOM 628 C TYR A 57 -7.300 -9.361 -1.219 1.00 0.00 C ATOM 629 O TYR A 57 -8.130 -8.481 -1.453 1.00 0.00 O ATOM 630 CB TYR A 57 -7.658 -11.713 -2.070 1.00 0.00 C ATOM 631 CG TYR A 57 -7.834 -12.503 -3.350 1.00 0.00 C ATOM 632 CD1 TYR A 57 -6.888 -12.438 -4.373 1.00 0.00 C ATOM 633 CD2 TYR A 57 -8.952 -13.300 -3.545 1.00 0.00 C ATOM 634 CE1 TYR A 57 -7.055 -13.145 -5.541 1.00 0.00 C ATOM 635 CE2 TYR A 57 -9.126 -14.013 -4.715 1.00 0.00 C ATOM 636 CZ TYR A 57 -8.176 -13.933 -5.712 1.00 0.00 C ATOM 637 OH TYR A 57 -8.347 -14.643 -6.880 1.00 0.00 O ATOM 0 H TYR A 57 -5.193 -11.463 -1.820 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.239 -9.991 -3.252 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.104 -12.315 -1.350 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.637 -11.514 -1.633 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.010 -11.822 -4.246 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -9.700 -13.364 -2.768 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.312 -13.084 -6.322 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -10.002 -14.630 -4.849 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.187 -15.146 -6.837 1.00 0.00 H new ATOM 647 N ALA A 58 -6.657 -9.467 -0.055 1.00 0.00 N ATOM 648 CA ALA A 58 -6.888 -8.549 1.057 1.00 0.00 C ATOM 649 C ALA A 58 -6.349 -7.162 0.748 1.00 0.00 C ATOM 650 O ALA A 58 -6.994 -6.144 1.015 1.00 0.00 O ATOM 651 CB ALA A 58 -6.208 -9.072 2.308 1.00 0.00 C ATOM 0 H ALA A 58 -5.964 -10.190 0.141 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.965 -8.481 1.214 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.384 -8.382 3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.614 -10.052 2.560 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.136 -9.159 2.130 1.00 0.00 H new ATOM 657 N LEU A 59 -5.151 -7.154 0.195 1.00 0.00 N ATOM 658 CA LEU A 59 -4.395 -5.944 -0.045 1.00 0.00 C ATOM 659 C LEU A 59 -4.729 -5.342 -1.400 1.00 0.00 C ATOM 660 O LEU A 59 -4.880 -4.130 -1.541 1.00 0.00 O ATOM 661 CB LEU A 59 -2.901 -6.292 0.040 1.00 0.00 C ATOM 662 CG LEU A 59 -2.117 -5.541 1.099 1.00 0.00 C ATOM 663 CD1 LEU A 59 -2.957 -5.396 2.347 1.00 0.00 C ATOM 664 CD2 LEU A 59 -0.837 -6.278 1.411 1.00 0.00 C ATOM 0 H LEU A 59 -4.670 -8.002 -0.104 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.653 -5.197 0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.805 -7.361 0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.445 -6.099 -0.931 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.866 -4.548 0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.391 -4.856 3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.867 -4.844 2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.220 -6.384 2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.279 -5.733 2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.073 -7.276 1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.234 -6.358 0.507 1.00 0.00 H new ATOM 676 N GLY A 60 -4.886 -6.207 -2.381 1.00 0.00 N ATOM 677 CA GLY A 60 -5.031 -5.765 -3.747 1.00 0.00 C ATOM 678 C GLY A 60 -3.827 -6.184 -4.553 1.00 0.00 C ATOM 679 O GLY A 60 -2.697 -5.862 -4.187 1.00 0.00 O ATOM 0 H GLY A 60 -4.916 -7.219 -2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.936 -6.190 -4.182 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.141 -4.681 -3.778 1.00 0.00 H new ATOM 683 N THR A 61 -4.061 -6.930 -5.620 1.00 0.00 N ATOM 684 CA THR A 61 -2.980 -7.447 -6.437 1.00 0.00 C ATOM 685 C THR A 61 -2.096 -6.312 -6.961 1.00 0.00 C ATOM 686 O THR A 61 -2.590 -5.300 -7.465 1.00 0.00 O ATOM 687 CB THR A 61 -3.534 -8.286 -7.600 1.00 0.00 C ATOM 688 OG1 THR A 61 -4.498 -7.525 -8.339 1.00 0.00 O ATOM 689 CG2 THR A 61 -4.186 -9.559 -7.079 1.00 0.00 C ATOM 0 H THR A 61 -4.994 -7.191 -5.940 1.00 0.00 H new ATOM 0 HA THR A 61 -2.363 -8.092 -5.812 1.00 0.00 H new ATOM 0 HB THR A 61 -2.704 -8.555 -8.253 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.844 -8.066 -9.079 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.572 -10.139 -7.917 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.448 -10.150 -6.537 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.006 -9.300 -6.409 1.00 0.00 H new ATOM 697 N PRO A 62 -0.771 -6.486 -6.840 1.00 0.00 N ATOM 698 CA PRO A 62 0.213 -5.431 -7.103 1.00 0.00 C ATOM 699 C PRO A 62 0.215 -4.954 -8.553 1.00 0.00 C ATOM 700 O PRO A 62 -0.255 -5.639 -9.462 1.00 0.00 O ATOM 701 CB PRO A 62 1.559 -6.087 -6.752 1.00 0.00 C ATOM 702 CG PRO A 62 1.213 -7.295 -5.951 1.00 0.00 C ATOM 703 CD PRO A 62 -0.130 -7.741 -6.441 1.00 0.00 C ATOM 0 HA PRO A 62 -0.008 -4.536 -6.521 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.111 -6.357 -7.652 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.191 -5.406 -6.183 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.958 -8.079 -6.085 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.183 -7.063 -4.887 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.044 -8.434 -7.278 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.695 -8.252 -5.661 1.00 0.00 H new ATOM 711 N LEU A 63 0.800 -3.772 -8.728 1.00 0.00 N ATOM 712 CA LEU A 63 0.782 -3.012 -9.979 1.00 0.00 C ATOM 713 C LEU A 63 1.345 -3.809 -11.138 1.00 0.00 C ATOM 714 O LEU A 63 0.988 -3.578 -12.290 1.00 0.00 O ATOM 715 CB LEU A 63 1.624 -1.758 -9.799 1.00 0.00 C ATOM 716 CG LEU A 63 1.421 -1.038 -8.473 1.00 0.00 C ATOM 717 CD1 LEU A 63 2.753 -0.531 -7.954 1.00 0.00 C ATOM 718 CD2 LEU A 63 0.432 0.105 -8.635 1.00 0.00 C ATOM 0 H LEU A 63 1.315 -3.301 -7.984 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.255 -2.768 -10.209 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.676 -2.027 -9.893 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.398 -1.066 -10.610 1.00 0.00 H new ATOM 0 HG LEU A 63 1.009 -1.739 -7.747 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.602 -0.017 -7.005 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.430 -1.372 -7.807 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.186 0.161 -8.677 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.298 0.609 -7.678 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.814 0.815 -9.369 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.526 -0.288 -8.975 1.00 0.00 H new ATOM 730 N MET A 64 2.240 -4.737 -10.822 1.00 0.00 N ATOM 731 CA MET A 64 2.859 -5.592 -11.836 1.00 0.00 C ATOM 732 C MET A 64 1.850 -6.562 -12.453 1.00 0.00 C ATOM 733 O MET A 64 2.215 -7.407 -13.268 1.00 0.00 O ATOM 734 CB MET A 64 4.046 -6.354 -11.242 1.00 0.00 C ATOM 735 CG MET A 64 3.755 -6.996 -9.897 1.00 0.00 C ATOM 736 SD MET A 64 5.242 -7.633 -9.113 1.00 0.00 S ATOM 737 CE MET A 64 4.564 -8.154 -7.547 1.00 0.00 C ATOM 0 H MET A 64 2.556 -4.920 -9.870 1.00 0.00 H new ATOM 0 HA MET A 64 3.221 -4.946 -12.635 1.00 0.00 H new ATOM 0 HB2 MET A 64 4.356 -7.128 -11.944 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.887 -5.669 -11.132 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.286 -6.263 -9.241 1.00 0.00 H new ATOM 0 HG3 MET A 64 3.040 -7.808 -10.031 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.338 -8.104 -6.781 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.738 -7.498 -7.272 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.202 -9.179 -7.630 1.00 0.00 H new ATOM 747 N SER A 65 0.589 -6.452 -12.032 1.00 0.00 N ATOM 748 CA SER A 65 -0.521 -7.191 -12.644 1.00 0.00 C ATOM 749 C SER A 65 -0.402 -8.698 -12.415 1.00 0.00 C ATOM 750 O SER A 65 -1.137 -9.484 -13.012 1.00 0.00 O ATOM 751 CB SER A 65 -0.600 -6.881 -14.148 1.00 0.00 C ATOM 752 OG SER A 65 -1.743 -7.475 -14.751 1.00 0.00 O ATOM 0 H SER A 65 0.307 -5.850 -11.259 1.00 0.00 H new ATOM 0 HA SER A 65 -1.441 -6.862 -12.161 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.631 -5.801 -14.295 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.301 -7.244 -14.642 1.00 0.00 H new ATOM 0 HG SER A 65 -1.922 -8.341 -14.329 1.00 0.00 H new ATOM 758 N ASP A 66 0.510 -9.095 -11.542 1.00 0.00 N ATOM 759 CA ASP A 66 0.693 -10.499 -11.213 1.00 0.00 C ATOM 760 C ASP A 66 1.471 -10.643 -9.922 1.00 0.00 C ATOM 761 O ASP A 66 2.674 -10.402 -9.863 1.00 0.00 O ATOM 762 CB ASP A 66 1.390 -11.244 -12.342 1.00 0.00 C ATOM 763 CG ASP A 66 1.729 -12.678 -11.985 1.00 0.00 C ATOM 764 OD1 ASP A 66 2.817 -12.919 -11.430 1.00 0.00 O ATOM 765 OD2 ASP A 66 0.905 -13.572 -12.274 1.00 0.00 O ATOM 0 H ASP A 66 1.137 -8.461 -11.047 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.293 -10.943 -11.078 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.750 -11.237 -13.224 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.305 -10.715 -12.608 1.00 0.00 H new ATOM 770 N PRO A 67 0.756 -10.987 -8.860 1.00 0.00 N ATOM 771 CA PRO A 67 1.338 -11.188 -7.536 1.00 0.00 C ATOM 772 C PRO A 67 2.069 -12.530 -7.380 1.00 0.00 C ATOM 773 O PRO A 67 3.105 -12.606 -6.718 1.00 0.00 O ATOM 774 CB PRO A 67 0.108 -11.155 -6.622 1.00 0.00 C ATOM 775 CG PRO A 67 -1.015 -11.645 -7.476 1.00 0.00 C ATOM 776 CD PRO A 67 -0.706 -11.157 -8.868 1.00 0.00 C ATOM 0 HA PRO A 67 2.099 -10.439 -7.317 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.247 -11.791 -5.748 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.085 -10.147 -6.255 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.084 -12.732 -7.448 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.972 -11.256 -7.127 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.022 -11.876 -9.624 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.217 -10.219 -9.087 1.00 0.00 H new ATOM 784 N PHE A 68 1.541 -13.578 -8.008 1.00 0.00 N ATOM 785 CA PHE A 68 1.966 -14.947 -7.720 1.00 0.00 C ATOM 786 C PHE A 68 3.306 -15.306 -8.360 1.00 0.00 C ATOM 787 O PHE A 68 3.895 -16.335 -8.028 1.00 0.00 O ATOM 788 CB PHE A 68 0.903 -15.930 -8.205 1.00 0.00 C ATOM 789 CG PHE A 68 -0.458 -15.718 -7.599 1.00 0.00 C ATOM 790 CD1 PHE A 68 -0.595 -15.260 -6.299 1.00 0.00 C ATOM 791 CD2 PHE A 68 -1.602 -15.970 -8.340 1.00 0.00 C ATOM 792 CE1 PHE A 68 -1.845 -15.062 -5.748 1.00 0.00 C ATOM 793 CE2 PHE A 68 -2.855 -15.774 -7.795 1.00 0.00 C ATOM 794 CZ PHE A 68 -2.977 -15.319 -6.498 1.00 0.00 C ATOM 0 H PHE A 68 0.816 -13.506 -8.722 1.00 0.00 H new ATOM 0 HA PHE A 68 2.093 -15.014 -6.639 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.821 -15.853 -9.289 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.234 -16.944 -7.981 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.287 -15.055 -5.710 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.512 -16.324 -9.356 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.938 -14.707 -4.732 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.738 -15.976 -8.383 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.956 -15.164 -6.069 1.00 0.00 H new ATOM 804 N GLY A 69 3.791 -14.467 -9.260 1.00 0.00 N ATOM 805 CA GLY A 69 4.986 -14.809 -10.005 1.00 0.00 C ATOM 806 C GLY A 69 6.258 -14.384 -9.307 1.00 0.00 C ATOM 807 O GLY A 69 7.357 -14.739 -9.733 1.00 0.00 O ATOM 0 H GLY A 69 3.383 -13.560 -9.488 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.010 -15.886 -10.168 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.942 -14.339 -10.987 1.00 0.00 H new ATOM 811 N THR A 70 6.117 -13.619 -8.239 1.00 0.00 N ATOM 812 CA THR A 70 7.266 -13.093 -7.526 1.00 0.00 C ATOM 813 C THR A 70 7.211 -13.496 -6.052 1.00 0.00 C ATOM 814 O THR A 70 6.235 -14.088 -5.594 1.00 0.00 O ATOM 815 CB THR A 70 7.320 -11.554 -7.640 1.00 0.00 C ATOM 816 OG1 THR A 70 8.587 -11.053 -7.185 1.00 0.00 O ATOM 817 CG2 THR A 70 6.212 -10.930 -6.820 1.00 0.00 C ATOM 0 H THR A 70 5.216 -13.348 -7.846 1.00 0.00 H new ATOM 0 HA THR A 70 8.165 -13.513 -7.978 1.00 0.00 H new ATOM 0 HB THR A 70 7.191 -11.289 -8.689 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.601 -10.077 -7.267 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.261 -9.845 -6.909 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.247 -11.281 -7.186 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.329 -11.214 -5.774 1.00 0.00 H new ATOM 825 N ASN A 71 8.265 -13.170 -5.318 1.00 0.00 N ATOM 826 CA ASN A 71 8.340 -13.469 -3.894 1.00 0.00 C ATOM 827 C ASN A 71 8.481 -12.182 -3.096 1.00 0.00 C ATOM 828 O ASN A 71 8.591 -12.207 -1.869 1.00 0.00 O ATOM 829 CB ASN A 71 9.529 -14.389 -3.598 1.00 0.00 C ATOM 830 CG ASN A 71 9.353 -15.784 -4.167 1.00 0.00 C ATOM 831 OD1 ASN A 71 9.680 -16.041 -5.326 1.00 0.00 O ATOM 832 ND2 ASN A 71 8.855 -16.698 -3.351 1.00 0.00 N ATOM 0 H ASN A 71 9.087 -12.694 -5.689 1.00 0.00 H new ATOM 0 HA ASN A 71 7.421 -13.976 -3.602 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.436 -13.946 -4.010 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.669 -14.457 -2.519 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.730 -17.657 -3.675 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.596 -16.444 -2.398 1.00 0.00 H new ATOM 839 N THR A 72 8.476 -11.059 -3.805 1.00 0.00 N ATOM 840 CA THR A 72 8.693 -9.763 -3.196 1.00 0.00 C ATOM 841 C THR A 72 7.633 -8.764 -3.650 1.00 0.00 C ATOM 842 O THR A 72 7.569 -8.407 -4.829 1.00 0.00 O ATOM 843 CB THR A 72 10.075 -9.227 -3.584 1.00 0.00 C ATOM 844 OG1 THR A 72 11.065 -10.255 -3.426 1.00 0.00 O ATOM 845 CG2 THR A 72 10.437 -8.031 -2.729 1.00 0.00 C ATOM 0 H THR A 72 8.322 -11.027 -4.813 1.00 0.00 H new ATOM 0 HA THR A 72 8.629 -9.885 -2.115 1.00 0.00 H new ATOM 0 HB THR A 72 10.045 -8.917 -4.628 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.944 -9.904 -3.678 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.421 -7.662 -3.017 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.698 -7.243 -2.874 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.453 -8.325 -1.680 1.00 0.00 H new ATOM 853 N TRP A 73 6.799 -8.325 -2.722 1.00 0.00 N ATOM 854 CA TRP A 73 5.745 -7.365 -3.032 1.00 0.00 C ATOM 855 C TRP A 73 6.070 -6.003 -2.430 1.00 0.00 C ATOM 856 O TRP A 73 6.692 -5.925 -1.373 1.00 0.00 O ATOM 857 CB TRP A 73 4.396 -7.866 -2.504 1.00 0.00 C ATOM 858 CG TRP A 73 3.912 -9.116 -3.175 1.00 0.00 C ATOM 859 CD1 TRP A 73 4.542 -9.820 -4.157 1.00 0.00 C ATOM 860 CD2 TRP A 73 2.687 -9.805 -2.916 1.00 0.00 C ATOM 861 NE1 TRP A 73 3.790 -10.908 -4.518 1.00 0.00 N ATOM 862 CE2 TRP A 73 2.649 -10.921 -3.770 1.00 0.00 C ATOM 863 CE3 TRP A 73 1.624 -9.595 -2.041 1.00 0.00 C ATOM 864 CZ2 TRP A 73 1.588 -11.815 -3.777 1.00 0.00 C ATOM 865 CZ3 TRP A 73 0.571 -10.484 -2.053 1.00 0.00 C ATOM 866 CH2 TRP A 73 0.563 -11.582 -2.912 1.00 0.00 C ATOM 0 H TRP A 73 6.829 -8.617 -1.745 1.00 0.00 H new ATOM 0 HA TRP A 73 5.682 -7.261 -4.115 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.481 -8.049 -1.433 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.651 -7.082 -2.636 1.00 0.00 H new ATOM 0 HD1 TRP A 73 5.497 -9.558 -4.589 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.042 -11.595 -5.229 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.625 -8.752 -1.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 1.576 -12.664 -4.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.263 -10.327 -1.385 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -0.275 -12.263 -2.891 1.00 0.00 H new ATOM 877 N PHE A 74 5.658 -4.937 -3.109 1.00 0.00 N ATOM 878 CA PHE A 74 5.902 -3.581 -2.629 1.00 0.00 C ATOM 879 C PHE A 74 4.614 -2.773 -2.588 1.00 0.00 C ATOM 880 O PHE A 74 3.901 -2.666 -3.587 1.00 0.00 O ATOM 881 CB PHE A 74 6.938 -2.865 -3.499 1.00 0.00 C ATOM 882 CG PHE A 74 8.359 -3.165 -3.117 1.00 0.00 C ATOM 883 CD1 PHE A 74 8.983 -4.327 -3.538 1.00 0.00 C ATOM 884 CD2 PHE A 74 9.073 -2.273 -2.332 1.00 0.00 C ATOM 885 CE1 PHE A 74 10.290 -4.595 -3.181 1.00 0.00 C ATOM 886 CE2 PHE A 74 10.379 -2.534 -1.973 1.00 0.00 C ATOM 887 CZ PHE A 74 10.989 -3.697 -2.398 1.00 0.00 C ATOM 0 H PHE A 74 5.153 -4.986 -3.994 1.00 0.00 H new ATOM 0 HA PHE A 74 6.295 -3.662 -1.615 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.783 -3.149 -4.540 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.773 -1.790 -3.434 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.442 -5.031 -4.152 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.600 -1.362 -1.997 1.00 0.00 H new ATOM 0 HE1 PHE A 74 10.765 -5.506 -3.514 1.00 0.00 H new ATOM 0 HE2 PHE A 74 10.923 -1.830 -1.361 1.00 0.00 H new ATOM 0 HZ PHE A 74 12.011 -3.905 -2.119 1.00 0.00 H new ATOM 897 N TYR A 75 4.321 -2.219 -1.421 1.00 0.00 N ATOM 898 CA TYR A 75 3.140 -1.386 -1.222 1.00 0.00 C ATOM 899 C TYR A 75 3.522 -0.122 -0.458 1.00 0.00 C ATOM 900 O TYR A 75 4.657 0.004 0.005 1.00 0.00 O ATOM 901 CB TYR A 75 2.073 -2.162 -0.450 1.00 0.00 C ATOM 902 CG TYR A 75 1.633 -3.437 -1.120 1.00 0.00 C ATOM 903 CD1 TYR A 75 0.865 -3.414 -2.276 1.00 0.00 C ATOM 904 CD2 TYR A 75 1.980 -4.662 -0.584 1.00 0.00 C ATOM 905 CE1 TYR A 75 0.452 -4.585 -2.878 1.00 0.00 C ATOM 906 CE2 TYR A 75 1.575 -5.840 -1.179 1.00 0.00 C ATOM 907 CZ TYR A 75 0.812 -5.796 -2.327 1.00 0.00 C ATOM 908 OH TYR A 75 0.400 -6.964 -2.920 1.00 0.00 O ATOM 0 H TYR A 75 4.894 -2.333 -0.585 1.00 0.00 H new ATOM 0 HA TYR A 75 2.735 -1.106 -2.195 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.458 -2.400 0.541 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.204 -1.520 -0.309 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.587 -2.465 -2.711 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.578 -4.699 0.315 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -0.149 -4.553 -3.775 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.854 -6.790 -0.748 1.00 0.00 H new ATOM 0 HH TYR A 75 1.070 -7.663 -2.767 1.00 0.00 H new ATOM 918 N VAL A 76 2.579 0.803 -0.311 1.00 0.00 N ATOM 919 CA VAL A 76 2.868 2.091 0.308 1.00 0.00 C ATOM 920 C VAL A 76 1.971 2.273 1.525 1.00 0.00 C ATOM 921 O VAL A 76 0.973 1.571 1.673 1.00 0.00 O ATOM 922 CB VAL A 76 2.636 3.266 -0.684 1.00 0.00 C ATOM 923 CG1 VAL A 76 3.227 4.569 -0.155 1.00 0.00 C ATOM 924 CG2 VAL A 76 3.210 2.940 -2.056 1.00 0.00 C ATOM 0 H VAL A 76 1.611 0.685 -0.611 1.00 0.00 H new ATOM 0 HA VAL A 76 3.917 2.100 0.603 1.00 0.00 H new ATOM 0 HB VAL A 76 1.559 3.402 -0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.047 5.369 -0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.757 4.822 0.795 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.300 4.449 -0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.035 3.777 -2.732 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.282 2.762 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.725 2.047 -2.451 1.00 0.00 H new ATOM 934 N PHE A 77 2.343 3.184 2.407 1.00 0.00 N ATOM 935 CA PHE A 77 1.502 3.531 3.537 1.00 0.00 C ATOM 936 C PHE A 77 0.535 4.645 3.157 1.00 0.00 C ATOM 937 O PHE A 77 0.497 5.074 2.003 1.00 0.00 O ATOM 938 CB PHE A 77 2.351 3.948 4.743 1.00 0.00 C ATOM 939 CG PHE A 77 2.754 2.801 5.633 1.00 0.00 C ATOM 940 CD1 PHE A 77 2.596 1.486 5.218 1.00 0.00 C ATOM 941 CD2 PHE A 77 3.276 3.040 6.896 1.00 0.00 C ATOM 942 CE1 PHE A 77 2.952 0.438 6.043 1.00 0.00 C ATOM 943 CE2 PHE A 77 3.630 1.994 7.725 1.00 0.00 C ATOM 944 CZ PHE A 77 3.470 0.692 7.298 1.00 0.00 C ATOM 0 H PHE A 77 3.223 3.697 2.362 1.00 0.00 H new ATOM 0 HA PHE A 77 0.926 2.649 3.816 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.250 4.451 4.386 1.00 0.00 H new ATOM 0 HB3 PHE A 77 1.793 4.675 5.334 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.190 1.280 4.239 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.407 4.057 7.235 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.825 -0.581 5.707 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.032 2.195 8.707 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.749 -0.127 7.944 1.00 0.00 H new ATOM 1137 N THR A 90 7.553 1.615 3.245 1.00 0.00 N ATOM 1138 CA THR A 90 7.152 0.780 2.135 1.00 0.00 C ATOM 1139 C THR A 90 6.983 -0.651 2.603 1.00 0.00 C ATOM 1140 O THR A 90 7.815 -1.169 3.351 1.00 0.00 O ATOM 1141 CB THR A 90 8.189 0.841 0.998 1.00 0.00 C ATOM 1142 OG1 THR A 90 9.437 1.349 1.493 1.00 0.00 O ATOM 1143 CG2 THR A 90 7.698 1.702 -0.139 1.00 0.00 C ATOM 0 HA THR A 90 6.201 1.151 1.752 1.00 0.00 H new ATOM 0 HB THR A 90 8.337 -0.171 0.621 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.288 1.809 2.345 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.450 1.727 -0.928 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.771 1.288 -0.535 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.518 2.714 0.223 1.00 0.00 H new ATOM 1151 N LEU A 91 5.902 -1.279 2.174 1.00 0.00 N ATOM 1152 CA LEU A 91 5.612 -2.632 2.595 1.00 0.00 C ATOM 1153 C LEU A 91 6.242 -3.607 1.630 1.00 0.00 C ATOM 1154 O LEU A 91 5.838 -3.695 0.474 1.00 0.00 O ATOM 1155 CB LEU A 91 4.107 -2.897 2.655 1.00 0.00 C ATOM 1156 CG LEU A 91 3.731 -4.165 3.419 1.00 0.00 C ATOM 1157 CD1 LEU A 91 3.857 -3.940 4.906 1.00 0.00 C ATOM 1158 CD2 LEU A 91 2.334 -4.644 3.094 1.00 0.00 C ATOM 0 H LEU A 91 5.216 -0.873 1.538 1.00 0.00 H new ATOM 0 HA LEU A 91 6.023 -2.763 3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.616 -2.044 3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.720 -2.969 1.639 1.00 0.00 H new ATOM 0 HG LEU A 91 4.427 -4.941 3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.586 -4.853 5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.886 -3.672 5.148 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.191 -3.132 5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.118 -5.548 3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.614 -3.869 3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.263 -4.861 2.028 1.00 0.00 H new ATOM 1170 N THR A 92 7.241 -4.316 2.099 1.00 0.00 N ATOM 1171 CA THR A 92 7.896 -5.323 1.304 1.00 0.00 C ATOM 1172 C THR A 92 7.481 -6.683 1.815 1.00 0.00 C ATOM 1173 O THR A 92 7.920 -7.125 2.876 1.00 0.00 O ATOM 1174 CB THR A 92 9.423 -5.183 1.367 1.00 0.00 C ATOM 1175 OG1 THR A 92 9.796 -3.844 1.013 1.00 0.00 O ATOM 1176 CG2 THR A 92 10.093 -6.177 0.431 1.00 0.00 C ATOM 0 H THR A 92 7.621 -4.210 3.040 1.00 0.00 H new ATOM 0 HA THR A 92 7.599 -5.200 0.262 1.00 0.00 H new ATOM 0 HB THR A 92 9.754 -5.395 2.383 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.910 -3.782 0.042 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.175 -6.061 0.491 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.820 -7.191 0.722 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.764 -5.992 -0.592 1.00 0.00 H new ATOM 1184 N LEU A 93 6.605 -7.334 1.088 1.00 0.00 N ATOM 1185 CA LEU A 93 6.073 -8.587 1.557 1.00 0.00 C ATOM 1186 C LEU A 93 6.962 -9.731 1.105 1.00 0.00 C ATOM 1187 O LEU A 93 7.164 -9.937 -0.094 1.00 0.00 O ATOM 1188 CB LEU A 93 4.631 -8.799 1.097 1.00 0.00 C ATOM 1189 CG LEU A 93 3.793 -9.525 2.112 1.00 0.00 C ATOM 1190 CD1 LEU A 93 3.647 -8.663 3.346 1.00 0.00 C ATOM 1191 CD2 LEU A 93 2.445 -9.888 1.556 1.00 0.00 C ATOM 0 H LEU A 93 6.251 -7.022 0.184 1.00 0.00 H new ATOM 0 HA LEU A 93 6.059 -8.561 2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.177 -7.831 0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.632 -9.363 0.164 1.00 0.00 H new ATOM 0 HG LEU A 93 4.294 -10.457 2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.040 -9.186 4.085 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.632 -8.458 3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.164 -7.723 3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.866 -10.411 2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.918 -8.981 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.572 -10.535 0.688 1.00 0.00 H new ATOM 1203 N THR A 94 7.503 -10.454 2.072 1.00 0.00 N ATOM 1204 CA THR A 94 8.440 -11.503 1.814 1.00 0.00 C ATOM 1205 C THR A 94 7.762 -12.866 1.923 1.00 0.00 C ATOM 1206 O THR A 94 7.179 -13.205 2.965 1.00 0.00 O ATOM 1207 CB THR A 94 9.604 -11.399 2.809 1.00 0.00 C ATOM 1208 OG1 THR A 94 10.394 -10.233 2.533 1.00 0.00 O ATOM 1209 CG2 THR A 94 10.454 -12.640 2.755 1.00 0.00 C ATOM 0 H THR A 94 7.294 -10.318 3.061 1.00 0.00 H new ATOM 0 HA THR A 94 8.825 -11.400 0.799 1.00 0.00 H new ATOM 0 HB THR A 94 9.194 -11.307 3.815 1.00 0.00 H new ATOM 0 HG1 THR A 94 11.132 -10.178 3.176 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.275 -12.550 3.466 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.847 -13.508 3.010 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.857 -12.761 1.750 1.00 0.00 H new ATOM 1217 N PHE A 95 7.834 -13.624 0.834 1.00 0.00 N ATOM 1218 CA PHE A 95 7.212 -14.937 0.754 1.00 0.00 C ATOM 1219 C PHE A 95 8.259 -16.027 0.618 1.00 0.00 C ATOM 1220 O PHE A 95 9.236 -15.881 -0.123 1.00 0.00 O ATOM 1221 CB PHE A 95 6.260 -15.005 -0.439 1.00 0.00 C ATOM 1222 CG PHE A 95 4.986 -14.255 -0.234 1.00 0.00 C ATOM 1223 CD1 PHE A 95 3.961 -14.835 0.477 1.00 0.00 C ATOM 1224 CD2 PHE A 95 4.809 -12.984 -0.748 1.00 0.00 C ATOM 1225 CE1 PHE A 95 2.778 -14.171 0.685 1.00 0.00 C ATOM 1226 CE2 PHE A 95 3.625 -12.310 -0.546 1.00 0.00 C ATOM 1227 CZ PHE A 95 2.606 -12.910 0.170 1.00 0.00 C ATOM 0 H PHE A 95 8.325 -13.345 -0.015 1.00 0.00 H new ATOM 0 HA PHE A 95 6.653 -15.095 1.676 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.766 -14.609 -1.319 1.00 0.00 H new ATOM 0 HB3 PHE A 95 6.027 -16.049 -0.647 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.089 -15.829 0.878 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.604 -12.517 -1.311 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.986 -14.638 1.251 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.493 -11.315 -0.946 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.674 -12.386 0.324 1.00 0.00 H new ATOM 1237 N ASN A 96 8.045 -17.119 1.341 1.00 0.00 N ATOM 1238 CA ASN A 96 8.923 -18.283 1.262 1.00 0.00 C ATOM 1239 C ASN A 96 8.685 -19.067 -0.032 1.00 0.00 C ATOM 1240 O ASN A 96 7.926 -18.623 -0.899 1.00 0.00 O ATOM 1241 CB ASN A 96 8.750 -19.184 2.497 1.00 0.00 C ATOM 1242 CG ASN A 96 7.326 -19.688 2.698 1.00 0.00 C ATOM 1243 OD1 ASN A 96 6.575 -19.900 1.741 1.00 0.00 O ATOM 1244 ND2 ASN A 96 6.947 -19.881 3.954 1.00 0.00 N ATOM 0 H ASN A 96 7.267 -17.224 1.992 1.00 0.00 H new ATOM 0 HA ASN A 96 9.953 -17.927 1.248 1.00 0.00 H new ATOM 0 HB2 ASN A 96 9.419 -20.040 2.407 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.058 -18.631 3.384 1.00 0.00 H new ATOM 0 HD21 ASN A 96 6.005 -20.216 4.157 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.597 -19.694 4.717 1.00 0.00 H new ATOM 1251 N SER A 97 9.303 -20.236 -0.154 1.00 0.00 N ATOM 1252 CA SER A 97 9.241 -21.014 -1.388 1.00 0.00 C ATOM 1253 C SER A 97 7.811 -21.443 -1.733 1.00 0.00 C ATOM 1254 O SER A 97 7.459 -21.558 -2.910 1.00 0.00 O ATOM 1255 CB SER A 97 10.135 -22.246 -1.266 1.00 0.00 C ATOM 1256 OG SER A 97 11.463 -21.878 -0.927 1.00 0.00 O ATOM 0 H SER A 97 9.854 -20.668 0.588 1.00 0.00 H new ATOM 0 HA SER A 97 9.594 -20.374 -2.197 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.734 -22.917 -0.506 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.135 -22.795 -2.208 1.00 0.00 H new ATOM 0 HG SER A 97 12.017 -22.683 -0.853 1.00 0.00 H new ATOM 1262 N SER A 98 6.986 -21.656 -0.717 1.00 0.00 N ATOM 1263 CA SER A 98 5.647 -22.174 -0.937 1.00 0.00 C ATOM 1264 C SER A 98 4.676 -21.053 -1.302 1.00 0.00 C ATOM 1265 O SER A 98 3.555 -21.309 -1.743 1.00 0.00 O ATOM 1266 CB SER A 98 5.163 -22.913 0.313 1.00 0.00 C ATOM 1267 OG SER A 98 3.880 -23.483 0.107 1.00 0.00 O ATOM 0 H SER A 98 7.220 -21.479 0.260 1.00 0.00 H new ATOM 0 HA SER A 98 5.682 -22.872 -1.774 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.874 -23.697 0.574 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.126 -22.223 1.156 1.00 0.00 H new ATOM 0 HG SER A 98 3.431 -23.020 -0.631 1.00 0.00 H new ATOM 1273 N GLY A 99 5.115 -19.814 -1.124 1.00 0.00 N ATOM 1274 CA GLY A 99 4.257 -18.679 -1.401 1.00 0.00 C ATOM 1275 C GLY A 99 3.488 -18.272 -0.169 1.00 0.00 C ATOM 1276 O GLY A 99 2.379 -17.740 -0.252 1.00 0.00 O ATOM 0 H GLY A 99 6.050 -19.575 -0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.858 -17.841 -1.753 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.562 -18.931 -2.202 1.00 0.00 H new ATOM 1280 N VAL A 100 4.091 -18.531 0.977 1.00 0.00 N ATOM 1281 CA VAL A 100 3.480 -18.244 2.258 1.00 0.00 C ATOM 1282 C VAL A 100 4.178 -17.056 2.903 1.00 0.00 C ATOM 1283 O VAL A 100 5.391 -16.894 2.756 1.00 0.00 O ATOM 1284 CB VAL A 100 3.584 -19.459 3.193 1.00 0.00 C ATOM 1285 CG1 VAL A 100 2.667 -19.280 4.390 1.00 0.00 C ATOM 1286 CG2 VAL A 100 3.262 -20.743 2.442 1.00 0.00 C ATOM 0 H VAL A 100 5.020 -18.947 1.044 1.00 0.00 H new ATOM 0 HA VAL A 100 2.427 -18.013 2.094 1.00 0.00 H new ATOM 0 HB VAL A 100 4.609 -19.534 3.557 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.750 -20.147 5.045 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.955 -18.383 4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.637 -19.181 4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.341 -21.592 3.122 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.248 -20.688 2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.966 -20.870 1.620 1.00 0.00 H new ATOM 1296 N LEU A 101 3.411 -16.211 3.582 1.00 0.00 N ATOM 1297 CA LEU A 101 3.962 -15.054 4.255 1.00 0.00 C ATOM 1298 C LEU A 101 4.925 -15.437 5.351 1.00 0.00 C ATOM 1299 O LEU A 101 4.597 -16.221 6.243 1.00 0.00 O ATOM 1300 CB LEU A 101 2.851 -14.206 4.840 1.00 0.00 C ATOM 1301 CG LEU A 101 2.498 -13.002 4.000 1.00 0.00 C ATOM 1302 CD1 LEU A 101 1.452 -12.168 4.700 1.00 0.00 C ATOM 1303 CD2 LEU A 101 3.740 -12.184 3.726 1.00 0.00 C ATOM 0 H LEU A 101 2.401 -16.312 3.678 1.00 0.00 H new ATOM 0 HA LEU A 101 4.512 -14.484 3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.962 -14.824 4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.147 -13.870 5.834 1.00 0.00 H new ATOM 0 HG LEU A 101 2.087 -13.338 3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.205 -11.303 4.085 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.556 -12.767 4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.839 -11.831 5.662 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.478 -11.317 3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.171 -11.850 4.670 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.467 -12.795 3.191 1.00 0.00 H new ATOM 1315 N THR A 102 6.107 -14.866 5.272 1.00 0.00 N ATOM 1316 CA THR A 102 7.110 -15.053 6.298 1.00 0.00 C ATOM 1317 C THR A 102 7.360 -13.743 7.025 1.00 0.00 C ATOM 1318 O THR A 102 7.469 -13.710 8.252 1.00 0.00 O ATOM 1319 CB THR A 102 8.431 -15.576 5.702 1.00 0.00 C ATOM 1320 OG1 THR A 102 9.148 -14.513 5.064 1.00 0.00 O ATOM 1321 CG2 THR A 102 8.138 -16.645 4.676 1.00 0.00 C ATOM 0 H THR A 102 6.399 -14.264 4.502 1.00 0.00 H new ATOM 0 HA THR A 102 6.735 -15.796 7.002 1.00 0.00 H new ATOM 0 HB THR A 102 9.035 -15.986 6.511 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.614 -13.980 5.742 1.00 0.00 H new ATOM 0 HG21 THR A 102 9.074 -17.013 4.256 1.00 0.00 H new ATOM 0 HG22 THR A 102 7.605 -17.469 5.151 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.523 -16.226 3.879 1.00 0.00 H new ATOM 1329 N ASN A 103 7.447 -12.657 6.265 1.00 0.00 N ATOM 1330 CA ASN A 103 7.668 -11.345 6.867 1.00 0.00 C ATOM 1331 C ASN A 103 6.809 -10.279 6.213 1.00 0.00 C ATOM 1332 O ASN A 103 6.479 -10.359 5.029 1.00 0.00 O ATOM 1333 CB ASN A 103 9.130 -10.876 6.766 1.00 0.00 C ATOM 1334 CG ASN A 103 10.161 -11.813 7.375 1.00 0.00 C ATOM 1335 OD1 ASN A 103 10.124 -13.029 7.191 1.00 0.00 O ATOM 1336 ND2 ASN A 103 11.093 -11.244 8.116 1.00 0.00 N ATOM 0 H ASN A 103 7.370 -12.656 5.248 1.00 0.00 H new ATOM 0 HA ASN A 103 7.400 -11.471 7.916 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.374 -10.729 5.714 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.216 -9.904 7.252 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.813 -11.816 8.558 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.093 -10.232 8.247 1.00 0.00 H new ATOM 1343 N ILE A 104 6.471 -9.274 7.001 1.00 0.00 N ATOM 1344 CA ILE A 104 5.857 -8.060 6.491 1.00 0.00 C ATOM 1345 C ILE A 104 6.866 -6.939 6.695 1.00 0.00 C ATOM 1346 O ILE A 104 6.910 -6.330 7.762 1.00 0.00 O ATOM 1347 CB ILE A 104 4.560 -7.673 7.249 1.00 0.00 C ATOM 1348 CG1 ILE A 104 3.745 -8.905 7.677 1.00 0.00 C ATOM 1349 CG2 ILE A 104 3.711 -6.724 6.406 1.00 0.00 C ATOM 1350 CD1 ILE A 104 3.143 -9.710 6.547 1.00 0.00 C ATOM 0 H ILE A 104 6.614 -9.276 8.011 1.00 0.00 H new ATOM 0 HA ILE A 104 5.589 -8.221 5.447 1.00 0.00 H new ATOM 0 HB ILE A 104 4.859 -7.159 8.162 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.389 -9.560 8.264 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.941 -8.577 8.335 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.805 -6.463 6.953 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.280 -5.819 6.193 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.441 -7.212 5.469 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.590 -10.555 6.957 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.467 -9.079 5.971 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.938 -10.077 5.898 1.00 0.00 H new ATOM 1362 N ASP A 105 7.676 -6.675 5.686 1.00 0.00 N ATOM 1363 CA ASP A 105 8.813 -5.777 5.851 1.00 0.00 C ATOM 1364 C ASP A 105 8.438 -4.345 5.536 1.00 0.00 C ATOM 1365 O ASP A 105 8.399 -3.950 4.379 1.00 0.00 O ATOM 1366 CB ASP A 105 9.958 -6.212 4.945 1.00 0.00 C ATOM 1367 CG ASP A 105 11.253 -5.501 5.262 1.00 0.00 C ATOM 1368 OD1 ASP A 105 11.749 -5.641 6.395 1.00 0.00 O ATOM 1369 OD2 ASP A 105 11.793 -4.805 4.376 1.00 0.00 O ATOM 0 H ASP A 105 7.572 -7.064 4.749 1.00 0.00 H new ATOM 0 HA ASP A 105 9.127 -5.828 6.894 1.00 0.00 H new ATOM 0 HB2 ASP A 105 10.105 -7.288 5.043 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.688 -6.020 3.907 1.00 0.00 H new ATOM 1374 N ASN A 106 8.163 -3.563 6.559 1.00 0.00 N ATOM 1375 CA ASN A 106 7.810 -2.179 6.354 1.00 0.00 C ATOM 1376 C ASN A 106 8.911 -1.260 6.866 1.00 0.00 C ATOM 1377 O ASN A 106 9.052 -1.009 8.062 1.00 0.00 O ATOM 1378 CB ASN A 106 6.456 -1.877 7.005 1.00 0.00 C ATOM 1379 CG ASN A 106 6.387 -2.222 8.485 1.00 0.00 C ATOM 1380 OD1 ASN A 106 6.594 -1.368 9.346 1.00 0.00 O ATOM 1381 ND2 ASN A 106 6.088 -3.475 8.791 1.00 0.00 N ATOM 0 H ASN A 106 8.178 -3.862 7.534 1.00 0.00 H new ATOM 0 HA ASN A 106 7.710 -1.991 5.285 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.233 -0.818 6.879 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.680 -2.431 6.477 1.00 0.00 H new ATOM 0 HD21 ASN A 106 6.023 -3.760 9.768 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.923 -4.156 8.049 1.00 0.00 H new ATOM 1388 N LYS A 107 9.688 -0.762 5.926 1.00 0.00 N ATOM 1389 CA LYS A 107 10.815 0.113 6.226 1.00 0.00 C ATOM 1390 C LYS A 107 10.619 1.478 5.591 1.00 0.00 C ATOM 1391 O LYS A 107 9.809 1.628 4.681 1.00 0.00 O ATOM 1392 CB LYS A 107 12.118 -0.491 5.703 1.00 0.00 C ATOM 1393 CG LYS A 107 12.438 -1.842 6.282 1.00 0.00 C ATOM 1394 CD LYS A 107 13.936 -1.997 6.502 1.00 0.00 C ATOM 1395 CE LYS A 107 14.314 -3.419 6.878 1.00 0.00 C ATOM 1396 NZ LYS A 107 14.122 -4.362 5.747 1.00 0.00 N ATOM 0 H LYS A 107 9.560 -0.949 4.931 1.00 0.00 H new ATOM 0 HA LYS A 107 10.871 0.221 7.309 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.058 -0.576 4.618 1.00 0.00 H new ATOM 0 HB3 LYS A 107 12.938 0.192 5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 107 11.912 -1.971 7.228 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.082 -2.624 5.611 1.00 0.00 H new ATOM 0 HD2 LYS A 107 14.467 -1.709 5.595 1.00 0.00 H new ATOM 0 HD3 LYS A 107 14.259 -1.316 7.290 1.00 0.00 H new ATOM 0 HE2 LYS A 107 15.355 -3.445 7.199 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.711 -3.742 7.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 13.546 -5.168 6.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.638 -3.874 4.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 15.048 -4.705 5.420 1.00 0.00 H new