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= 0.281 USER MOD Set 1.2: A 103 ASN : amide:sc= -0.022 K(o=0.26,f=-5.2!) USER MOD Set 2.1: A 90 THR OG1 : rot -14:sc= 1.43 USER MOD Set 2.2: A 107 LYS NZ :NH3+ -174:sc= 0.583 (180deg=-0.278) USER MOD Set 3.1: A 71 ASN : amide:sc= 0.173 K(o=0.17,f=-3!) USER MOD Set 3.2: A 72 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 39 THR OG1 : rot -140:sc= -0.23 USER MOD Set 4.2: A 41 ASN : amide:sc= -0.518 X(o=-0.75,f=-0.37) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -138:sc= 1.24 (180deg=0.349) USER MOD Single : A 50 MET CE :methyl -120:sc= -7.06! (180deg=-8.93!) USER MOD Single : A 51 THR OG1 : rot -123:sc= -2.54! USER MOD Single : A 52 GLN : amide:sc= -2.59! C(o=-2.6!,f=-5.4!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 54 GLN : amide:sc=-0.00436 X(o=-0.0044,f=-0.17) 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 -139:sc= -1.25 (180deg=-5.16!) USER MOD Single : A 65 SER OG : rot -37:sc= 0.328 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0506 USER MOD Single : A 75 TYR OH : rot 139:sc= -0.573! USER MOD Single : A 92 THR OG1 : rot -130:sc= -1.33 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -1.06 K(o=-1.1,f=-7.7!) USER MOD Single : A 97 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 98 SER OG : rot -38:sc= 0.335 USER MOD Single : A 106 ASN : amide:sc= 0.0529 K(o=0.053,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 334 N LEU A 38 -2.054 0.242 -2.710 1.00 0.00 N ATOM 335 CA LEU A 38 -2.223 -0.128 -1.312 1.00 0.00 C ATOM 336 C LEU A 38 -1.779 1.003 -0.392 1.00 0.00 C ATOM 337 O LEU A 38 -0.916 1.801 -0.746 1.00 0.00 O ATOM 338 CB LEU A 38 -1.425 -1.381 -0.970 1.00 0.00 C ATOM 339 CG LEU A 38 -1.688 -1.921 0.430 1.00 0.00 C ATOM 340 CD1 LEU A 38 -2.917 -2.797 0.409 1.00 0.00 C ATOM 341 CD2 LEU A 38 -0.488 -2.674 0.976 1.00 0.00 C ATOM 0 HA LEU A 38 -3.284 -0.327 -1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.659 -2.158 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.362 -1.161 -1.069 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.862 -1.078 1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.105 -3.184 1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.775 -2.212 0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.759 -3.629 -0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.715 -3.044 1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.258 -3.515 0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.371 -2.005 1.023 1.00 0.00 H new ATOM 353 N THR A 39 -2.380 1.061 0.788 1.00 0.00 N ATOM 354 CA THR A 39 -2.002 2.040 1.793 1.00 0.00 C ATOM 355 C THR A 39 -1.745 1.369 3.144 1.00 0.00 C ATOM 356 O THR A 39 -1.873 0.151 3.267 1.00 0.00 O ATOM 357 CB THR A 39 -3.064 3.143 1.946 1.00 0.00 C ATOM 358 OG1 THR A 39 -4.354 2.581 2.196 1.00 0.00 O ATOM 359 CG2 THR A 39 -3.122 4.011 0.716 1.00 0.00 C ATOM 0 H THR A 39 -3.135 0.437 1.072 1.00 0.00 H new ATOM 0 HA THR A 39 -1.079 2.507 1.450 1.00 0.00 H new ATOM 0 HB THR A 39 -2.775 3.757 2.799 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.032 3.084 1.698 1.00 0.00 H new ATOM 0 HG21 THR A 39 -3.880 4.782 0.850 1.00 0.00 H new ATOM 0 HG22 THR A 39 -2.151 4.480 0.556 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.376 3.399 -0.149 1.00 0.00 H new ATOM 367 N ALA A 40 -1.408 2.163 4.155 1.00 0.00 N ATOM 368 CA ALA A 40 -1.066 1.627 5.474 1.00 0.00 C ATOM 369 C ALA A 40 -2.256 0.941 6.137 1.00 0.00 C ATOM 370 O ALA A 40 -2.120 -0.144 6.700 1.00 0.00 O ATOM 371 CB ALA A 40 -0.539 2.730 6.372 1.00 0.00 C ATOM 0 H ALA A 40 -1.363 3.180 4.089 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.289 0.877 5.327 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.289 2.316 7.349 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.353 3.168 5.925 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.302 3.500 6.489 1.00 0.00 H new ATOM 377 N ASN A 41 -3.418 1.575 6.068 1.00 0.00 N ATOM 378 CA ASN A 41 -4.633 1.012 6.652 1.00 0.00 C ATOM 379 C ASN A 41 -4.983 -0.328 6.021 1.00 0.00 C ATOM 380 O ASN A 41 -5.523 -1.209 6.685 1.00 0.00 O ATOM 381 CB ASN A 41 -5.805 1.979 6.520 1.00 0.00 C ATOM 382 CG ASN A 41 -5.706 2.852 5.290 1.00 0.00 C ATOM 383 OD1 ASN A 41 -5.134 3.938 5.340 1.00 0.00 O ATOM 384 ND2 ASN A 41 -6.247 2.400 4.178 1.00 0.00 N ATOM 0 H ASN A 41 -3.548 2.479 5.614 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.437 0.849 7.712 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.736 1.413 6.484 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.850 2.611 7.407 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.198 2.956 3.324 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.715 1.494 4.170 1.00 0.00 H new ATOM 391 N ASP A 42 -4.670 -0.487 4.743 1.00 0.00 N ATOM 392 CA ASP A 42 -4.893 -1.761 4.071 1.00 0.00 C ATOM 393 C ASP A 42 -3.845 -2.784 4.487 1.00 0.00 C ATOM 394 O ASP A 42 -4.112 -3.979 4.484 1.00 0.00 O ATOM 395 CB ASP A 42 -4.902 -1.592 2.556 1.00 0.00 C ATOM 396 CG ASP A 42 -6.137 -0.873 2.051 1.00 0.00 C ATOM 397 OD1 ASP A 42 -6.127 0.373 2.025 1.00 0.00 O ATOM 398 OD2 ASP A 42 -7.117 -1.559 1.678 1.00 0.00 O ATOM 0 H ASP A 42 -4.265 0.241 4.155 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.873 -2.128 4.375 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.015 -1.037 2.252 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.841 -2.573 2.085 1.00 0.00 H new ATOM 403 N VAL A 43 -2.659 -2.315 4.862 1.00 0.00 N ATOM 404 CA VAL A 43 -1.633 -3.198 5.423 1.00 0.00 C ATOM 405 C VAL A 43 -2.150 -3.856 6.700 1.00 0.00 C ATOM 406 O VAL A 43 -1.877 -5.021 6.973 1.00 0.00 O ATOM 407 CB VAL A 43 -0.319 -2.439 5.732 1.00 0.00 C ATOM 408 CG1 VAL A 43 0.633 -3.310 6.530 1.00 0.00 C ATOM 409 CG2 VAL A 43 0.356 -2.000 4.458 1.00 0.00 C ATOM 0 H VAL A 43 -2.382 -1.336 4.790 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.414 -3.958 4.673 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.577 -1.560 6.322 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.549 -2.755 6.735 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.163 -3.595 7.471 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.872 -4.206 5.958 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.277 -1.469 4.699 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.589 -2.874 3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.310 -1.339 3.903 1.00 0.00 H new ATOM 419 N SER A 44 -2.924 -3.098 7.461 1.00 0.00 N ATOM 420 CA SER A 44 -3.540 -3.594 8.684 1.00 0.00 C ATOM 421 C SER A 44 -4.495 -4.753 8.395 1.00 0.00 C ATOM 422 O SER A 44 -4.825 -5.538 9.284 1.00 0.00 O ATOM 423 CB SER A 44 -4.281 -2.453 9.366 1.00 0.00 C ATOM 424 OG SER A 44 -4.854 -2.857 10.599 1.00 0.00 O ATOM 0 H SER A 44 -3.143 -2.124 7.250 1.00 0.00 H new ATOM 0 HA SER A 44 -2.758 -3.971 9.343 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.593 -1.625 9.539 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.065 -2.083 8.705 1.00 0.00 H new ATOM 0 HG SER A 44 -5.320 -2.098 11.008 1.00 0.00 H new ATOM 430 N LYS A 45 -4.928 -4.853 7.145 1.00 0.00 N ATOM 431 CA LYS A 45 -5.843 -5.906 6.723 1.00 0.00 C ATOM 432 C LYS A 45 -5.131 -7.252 6.605 1.00 0.00 C ATOM 433 O LYS A 45 -5.762 -8.303 6.716 1.00 0.00 O ATOM 434 CB LYS A 45 -6.493 -5.536 5.395 1.00 0.00 C ATOM 435 CG LYS A 45 -7.337 -4.273 5.472 1.00 0.00 C ATOM 436 CD LYS A 45 -7.841 -3.866 4.104 1.00 0.00 C ATOM 437 CE LYS A 45 -8.733 -4.938 3.519 1.00 0.00 C ATOM 438 NZ LYS A 45 -8.963 -4.732 2.062 1.00 0.00 N ATOM 0 H LYS A 45 -4.657 -4.212 6.400 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.616 -6.003 7.486 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.716 -5.401 4.643 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.119 -6.364 5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.183 -4.438 6.140 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.746 -3.463 5.900 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.392 -2.929 4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.996 -3.687 3.439 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.280 -5.916 3.681 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.690 -4.940 4.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.962 -4.915 1.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.725 -3.752 1.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.362 -5.385 1.520 1.00 0.00 H new ATOM 452 N ILE A 46 -3.820 -7.231 6.381 1.00 0.00 N ATOM 453 CA ILE A 46 -3.071 -8.460 6.255 1.00 0.00 C ATOM 454 C ILE A 46 -2.313 -8.808 7.512 1.00 0.00 C ATOM 455 O ILE A 46 -2.293 -8.061 8.492 1.00 0.00 O ATOM 456 CB ILE A 46 -2.070 -8.446 5.091 1.00 0.00 C ATOM 457 CG1 ILE A 46 -1.064 -7.296 5.218 1.00 0.00 C ATOM 458 CG2 ILE A 46 -2.809 -8.402 3.774 1.00 0.00 C ATOM 459 CD1 ILE A 46 -0.026 -7.294 4.125 1.00 0.00 C ATOM 0 H ILE A 46 -3.266 -6.380 6.285 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.834 -9.214 6.060 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.489 -9.368 5.128 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.601 -6.348 5.202 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.565 -7.363 6.185 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.091 -8.392 2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.448 -9.280 3.686 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.422 -7.501 3.730 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.655 -6.456 4.272 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.535 -8.228 4.155 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.517 -7.197 3.157 1.00 0.00 H new ATOM 471 N ARG A 47 -1.681 -9.962 7.444 1.00 0.00 N ATOM 472 CA ARG A 47 -0.954 -10.528 8.555 1.00 0.00 C ATOM 473 C ARG A 47 -0.195 -11.748 8.078 1.00 0.00 C ATOM 474 O ARG A 47 -0.592 -12.395 7.105 1.00 0.00 O ATOM 475 CB ARG A 47 -1.906 -10.913 9.694 1.00 0.00 C ATOM 476 CG ARG A 47 -2.966 -11.936 9.303 1.00 0.00 C ATOM 477 CD ARG A 47 -4.203 -11.275 8.712 1.00 0.00 C ATOM 478 NE ARG A 47 -5.296 -12.228 8.541 1.00 0.00 N ATOM 479 CZ ARG A 47 -6.501 -11.918 8.068 1.00 0.00 C ATOM 480 NH1 ARG A 47 -6.773 -10.688 7.652 1.00 0.00 N ATOM 481 NH2 ARG A 47 -7.444 -12.848 8.012 1.00 0.00 N ATOM 0 H ARG A 47 -1.659 -10.539 6.603 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.256 -9.784 8.938 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.321 -11.311 10.523 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.402 -10.013 10.058 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.547 -12.634 8.579 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.249 -12.518 10.180 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.527 -10.463 9.362 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.953 -10.831 7.748 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.124 -13.199 8.802 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.054 -9.965 7.692 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.701 -10.465 7.292 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.245 -13.796 8.331 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.369 -12.615 7.650 1.00 0.00 H new ATOM 495 N VAL A 48 0.892 -12.046 8.760 1.00 0.00 N ATOM 496 CA VAL A 48 1.745 -13.154 8.398 1.00 0.00 C ATOM 497 C VAL A 48 1.050 -14.469 8.714 1.00 0.00 C ATOM 498 O VAL A 48 0.314 -14.567 9.695 1.00 0.00 O ATOM 499 CB VAL A 48 3.074 -13.082 9.157 1.00 0.00 C ATOM 500 CG1 VAL A 48 4.197 -13.648 8.311 1.00 0.00 C ATOM 501 CG2 VAL A 48 3.371 -11.650 9.559 1.00 0.00 C ATOM 0 H VAL A 48 1.207 -11.526 9.579 1.00 0.00 H new ATOM 0 HA VAL A 48 1.947 -13.097 7.328 1.00 0.00 H new ATOM 0 HB VAL A 48 2.994 -13.683 10.063 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.134 -13.590 8.864 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.982 -14.689 8.070 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.283 -13.073 7.389 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.318 -11.612 10.098 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.436 -11.028 8.667 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.573 -11.280 10.202 1.00 0.00 H new ATOM 511 N GLY A 49 1.274 -15.469 7.881 1.00 0.00 N ATOM 512 CA GLY A 49 0.621 -16.745 8.076 1.00 0.00 C ATOM 513 C GLY A 49 -0.214 -17.156 6.881 1.00 0.00 C ATOM 514 O GLY A 49 -0.387 -18.344 6.619 1.00 0.00 O ATOM 0 H GLY A 49 1.895 -15.422 7.074 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.374 -17.509 8.270 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.015 -16.693 8.960 1.00 0.00 H new ATOM 518 N MET A 50 -0.742 -16.184 6.149 1.00 0.00 N ATOM 519 CA MET A 50 -1.500 -16.500 4.948 1.00 0.00 C ATOM 520 C MET A 50 -0.609 -16.483 3.715 1.00 0.00 C ATOM 521 O MET A 50 0.586 -16.198 3.801 1.00 0.00 O ATOM 522 CB MET A 50 -2.720 -15.591 4.759 1.00 0.00 C ATOM 523 CG MET A 50 -2.461 -14.112 4.948 1.00 0.00 C ATOM 524 SD MET A 50 -3.920 -13.125 4.557 1.00 0.00 S ATOM 525 CE MET A 50 -3.262 -11.472 4.694 1.00 0.00 C ATOM 0 H MET A 50 -0.662 -15.189 6.360 1.00 0.00 H new ATOM 0 HA MET A 50 -1.883 -17.512 5.081 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.117 -15.748 3.756 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.495 -15.900 5.461 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.160 -13.924 5.978 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.631 -13.803 4.312 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.808 -10.926 5.463 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.207 -11.522 4.964 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.368 -10.958 3.739 1.00 0.00 H new ATOM 535 N THR A 51 -1.198 -16.796 2.575 1.00 0.00 N ATOM 536 CA THR A 51 -0.435 -17.030 1.361 1.00 0.00 C ATOM 537 C THR A 51 -0.363 -15.790 0.495 1.00 0.00 C ATOM 538 O THR A 51 -0.833 -14.716 0.880 1.00 0.00 O ATOM 539 CB THR A 51 -1.055 -18.154 0.515 1.00 0.00 C ATOM 540 OG1 THR A 51 -2.291 -17.726 -0.063 1.00 0.00 O ATOM 541 CG2 THR A 51 -1.312 -19.364 1.363 1.00 0.00 C ATOM 0 H THR A 51 -2.207 -16.895 2.464 1.00 0.00 H new ATOM 0 HA THR A 51 0.566 -17.313 1.687 1.00 0.00 H new ATOM 0 HB THR A 51 -0.350 -18.403 -0.278 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.008 -18.338 0.207 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.751 -20.151 0.750 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.372 -19.717 1.788 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.000 -19.105 2.168 1.00 0.00 H new ATOM 549 N GLN A 52 0.211 -15.958 -0.684 1.00 0.00 N ATOM 550 CA GLN A 52 0.233 -14.914 -1.680 1.00 0.00 C ATOM 551 C GLN A 52 -1.183 -14.547 -2.088 1.00 0.00 C ATOM 552 O GLN A 52 -1.547 -13.371 -2.117 1.00 0.00 O ATOM 553 CB GLN A 52 1.001 -15.378 -2.912 1.00 0.00 C ATOM 554 CG GLN A 52 2.509 -15.439 -2.733 1.00 0.00 C ATOM 555 CD GLN A 52 3.215 -15.973 -3.965 1.00 0.00 C ATOM 556 OE1 GLN A 52 2.717 -15.847 -5.084 1.00 0.00 O ATOM 557 NE2 GLN A 52 4.387 -16.558 -3.775 1.00 0.00 N ATOM 0 H GLN A 52 0.672 -16.821 -0.972 1.00 0.00 H new ATOM 0 HA GLN A 52 0.725 -14.041 -1.251 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.642 -16.367 -3.196 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.774 -14.706 -3.740 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.886 -14.442 -2.505 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.746 -16.073 -1.878 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.767 -16.644 -2.832 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.910 -16.923 -4.571 1.00 0.00 H new ATOM 566 N GLN A 53 -1.992 -15.565 -2.374 1.00 0.00 N ATOM 567 CA GLN A 53 -3.336 -15.327 -2.874 1.00 0.00 C ATOM 568 C GLN A 53 -4.157 -14.602 -1.827 1.00 0.00 C ATOM 569 O GLN A 53 -4.922 -13.691 -2.136 1.00 0.00 O ATOM 570 CB GLN A 53 -4.039 -16.631 -3.256 1.00 0.00 C ATOM 571 CG GLN A 53 -4.493 -17.460 -2.081 1.00 0.00 C ATOM 572 CD GLN A 53 -5.444 -18.562 -2.471 1.00 0.00 C ATOM 573 OE1 GLN A 53 -5.317 -19.166 -3.536 1.00 0.00 O ATOM 574 NE2 GLN A 53 -6.443 -18.785 -1.635 1.00 0.00 N ATOM 0 H GLN A 53 -1.741 -16.548 -2.269 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.248 -14.713 -3.771 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.905 -16.395 -3.875 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.363 -17.229 -3.867 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.622 -17.896 -1.592 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.977 -16.811 -1.351 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.506 -18.259 -0.763 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.151 -19.483 -1.861 1.00 0.00 H new ATOM 583 N GLN A 54 -3.972 -15.014 -0.583 1.00 0.00 N ATOM 584 CA GLN A 54 -4.696 -14.435 0.527 1.00 0.00 C ATOM 585 C GLN A 54 -4.399 -12.947 0.624 1.00 0.00 C ATOM 586 O GLN A 54 -5.309 -12.120 0.702 1.00 0.00 O ATOM 587 CB GLN A 54 -4.287 -15.090 1.837 1.00 0.00 C ATOM 588 CG GLN A 54 -4.371 -16.603 1.844 1.00 0.00 C ATOM 589 CD GLN A 54 -5.564 -17.132 2.607 1.00 0.00 C ATOM 590 OE1 GLN A 54 -6.641 -16.539 2.599 1.00 0.00 O ATOM 591 NE2 GLN A 54 -5.353 -18.220 3.331 1.00 0.00 N ATOM 0 H GLN A 54 -3.320 -15.753 -0.320 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.760 -14.598 0.353 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.264 -14.796 2.070 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.920 -14.701 2.635 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.418 -16.962 0.816 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.459 -17.009 2.282 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.443 -18.680 3.307 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.101 -18.598 3.913 1.00 0.00 H new ATOM 600 N VAL A 55 -3.107 -12.621 0.613 1.00 0.00 N ATOM 601 CA VAL A 55 -2.660 -11.252 0.742 1.00 0.00 C ATOM 602 C VAL A 55 -3.102 -10.406 -0.434 1.00 0.00 C ATOM 603 O VAL A 55 -3.653 -9.336 -0.243 1.00 0.00 O ATOM 604 CB VAL A 55 -1.133 -11.168 0.875 1.00 0.00 C ATOM 605 CG1 VAL A 55 -0.676 -9.726 0.781 1.00 0.00 C ATOM 606 CG2 VAL A 55 -0.692 -11.767 2.186 1.00 0.00 C ATOM 0 H VAL A 55 -2.352 -13.300 0.515 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.119 -10.863 1.651 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.680 -11.732 0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.409 -9.681 0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.972 -9.312 -0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.135 -9.146 1.581 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.393 -11.702 2.269 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.153 -11.220 3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.997 -12.813 2.229 1.00 0.00 H new ATOM 616 N ALA A 56 -2.880 -10.885 -1.648 1.00 0.00 N ATOM 617 CA ALA A 56 -3.211 -10.093 -2.824 1.00 0.00 C ATOM 618 C ALA A 56 -4.707 -9.835 -2.896 1.00 0.00 C ATOM 619 O ALA A 56 -5.152 -8.858 -3.488 1.00 0.00 O ATOM 620 CB ALA A 56 -2.716 -10.754 -4.101 1.00 0.00 C ATOM 0 H ALA A 56 -2.479 -11.802 -1.844 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.700 -9.135 -2.730 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.981 -10.134 -4.958 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.633 -10.867 -4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.179 -11.735 -4.206 1.00 0.00 H new ATOM 626 N TYR A 57 -5.486 -10.722 -2.305 1.00 0.00 N ATOM 627 CA TYR A 57 -6.920 -10.529 -2.246 1.00 0.00 C ATOM 628 C TYR A 57 -7.321 -9.594 -1.104 1.00 0.00 C ATOM 629 O TYR A 57 -8.287 -8.839 -1.213 1.00 0.00 O ATOM 630 CB TYR A 57 -7.614 -11.874 -2.155 1.00 0.00 C ATOM 631 CG TYR A 57 -7.816 -12.476 -3.527 1.00 0.00 C ATOM 632 CD1 TYR A 57 -6.814 -12.384 -4.490 1.00 0.00 C ATOM 633 CD2 TYR A 57 -9.004 -13.103 -3.874 1.00 0.00 C ATOM 634 CE1 TYR A 57 -6.990 -12.901 -5.749 1.00 0.00 C ATOM 635 CE2 TYR A 57 -9.185 -13.623 -5.142 1.00 0.00 C ATOM 636 CZ TYR A 57 -8.176 -13.520 -6.075 1.00 0.00 C ATOM 637 OH TYR A 57 -8.346 -14.039 -7.336 1.00 0.00 O ATOM 0 H TYR A 57 -5.151 -11.578 -1.862 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.244 -10.039 -3.164 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.021 -12.552 -1.541 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.578 -11.756 -1.660 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.882 -11.897 -4.242 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -9.797 -13.186 -3.145 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.201 -12.823 -6.482 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -10.114 -14.109 -5.401 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.236 -14.443 -7.406 1.00 0.00 H new ATOM 647 N ALA A 58 -6.574 -9.656 -0.008 1.00 0.00 N ATOM 648 CA ALA A 58 -6.789 -8.775 1.136 1.00 0.00 C ATOM 649 C ALA A 58 -6.310 -7.363 0.836 1.00 0.00 C ATOM 650 O ALA A 58 -6.940 -6.374 1.201 1.00 0.00 O ATOM 651 CB ALA A 58 -6.035 -9.306 2.340 1.00 0.00 C ATOM 0 H ALA A 58 -5.805 -10.315 0.114 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.859 -8.747 1.344 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.198 -8.646 3.192 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.394 -10.306 2.582 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.970 -9.348 2.113 1.00 0.00 H new ATOM 657 N LEU A 59 -5.179 -7.308 0.170 1.00 0.00 N ATOM 658 CA LEU A 59 -4.456 -6.077 -0.070 1.00 0.00 C ATOM 659 C LEU A 59 -4.859 -5.439 -1.386 1.00 0.00 C ATOM 660 O LEU A 59 -5.057 -4.228 -1.474 1.00 0.00 O ATOM 661 CB LEU A 59 -2.966 -6.417 -0.093 1.00 0.00 C ATOM 662 CG LEU A 59 -2.103 -5.668 0.899 1.00 0.00 C ATOM 663 CD1 LEU A 59 -2.824 -5.538 2.221 1.00 0.00 C ATOM 664 CD2 LEU A 59 -0.802 -6.398 1.078 1.00 0.00 C ATOM 0 H LEU A 59 -4.727 -8.131 -0.228 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.687 -5.360 0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.854 -7.485 0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.584 -6.224 -1.096 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.900 -4.666 0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.194 -4.997 2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.756 -4.992 2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.043 -6.530 2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.178 -5.860 1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.997 -7.403 1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.285 -6.461 0.120 1.00 0.00 H new ATOM 676 N GLY A 60 -5.011 -6.278 -2.388 1.00 0.00 N ATOM 677 CA GLY A 60 -5.144 -5.809 -3.743 1.00 0.00 C ATOM 678 C GLY A 60 -3.911 -6.186 -4.523 1.00 0.00 C ATOM 679 O GLY A 60 -2.796 -5.874 -4.104 1.00 0.00 O ATOM 0 H GLY A 60 -5.045 -7.292 -2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.029 -6.246 -4.206 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.279 -4.727 -3.754 1.00 0.00 H new ATOM 683 N THR A 61 -4.099 -6.900 -5.621 1.00 0.00 N ATOM 684 CA THR A 61 -2.984 -7.394 -6.405 1.00 0.00 C ATOM 685 C THR A 61 -2.068 -6.248 -6.841 1.00 0.00 C ATOM 686 O THR A 61 -2.535 -5.186 -7.259 1.00 0.00 O ATOM 687 CB THR A 61 -3.492 -8.186 -7.622 1.00 0.00 C ATOM 688 OG1 THR A 61 -4.450 -7.409 -8.354 1.00 0.00 O ATOM 689 CG2 THR A 61 -4.141 -9.491 -7.174 1.00 0.00 C ATOM 0 H THR A 61 -5.017 -7.150 -5.989 1.00 0.00 H new ATOM 0 HA THR A 61 -2.398 -8.067 -5.779 1.00 0.00 H new ATOM 0 HB THR A 61 -2.640 -8.410 -8.264 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.765 -7.922 -9.127 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.495 -10.040 -8.047 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.410 -10.096 -6.638 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.983 -9.272 -6.517 1.00 0.00 H new ATOM 697 N PRO A 62 -0.746 -6.464 -6.728 1.00 0.00 N ATOM 698 CA PRO A 62 0.270 -5.422 -6.919 1.00 0.00 C ATOM 699 C PRO A 62 0.254 -4.805 -8.309 1.00 0.00 C ATOM 700 O PRO A 62 -0.339 -5.334 -9.246 1.00 0.00 O ATOM 701 CB PRO A 62 1.597 -6.158 -6.695 1.00 0.00 C ATOM 702 CG PRO A 62 1.239 -7.394 -5.952 1.00 0.00 C ATOM 703 CD PRO A 62 -0.141 -7.759 -6.409 1.00 0.00 C ATOM 0 HA PRO A 62 0.097 -4.587 -6.240 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.080 -6.395 -7.643 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.296 -5.545 -6.125 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.946 -8.196 -6.163 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.262 -7.224 -4.876 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.116 -8.416 -7.278 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.697 -8.282 -5.631 1.00 0.00 H new ATOM 711 N LEU A 63 0.973 -3.691 -8.406 1.00 0.00 N ATOM 712 CA LEU A 63 0.974 -2.809 -9.568 1.00 0.00 C ATOM 713 C LEU A 63 1.370 -3.541 -10.835 1.00 0.00 C ATOM 714 O LEU A 63 0.938 -3.180 -11.926 1.00 0.00 O ATOM 715 CB LEU A 63 1.957 -1.674 -9.323 1.00 0.00 C ATOM 716 CG LEU A 63 1.896 -1.065 -7.925 1.00 0.00 C ATOM 717 CD1 LEU A 63 3.298 -0.713 -7.460 1.00 0.00 C ATOM 718 CD2 LEU A 63 0.997 0.163 -7.908 1.00 0.00 C ATOM 0 H LEU A 63 1.587 -3.368 -7.659 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.038 -2.428 -9.704 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.967 -2.043 -9.500 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.772 -0.888 -10.055 1.00 0.00 H new ATOM 0 HG LEU A 63 1.469 -1.797 -7.240 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.252 -0.278 -6.462 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.910 -1.614 -7.435 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.740 0.007 -8.149 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.969 0.580 -6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.388 0.910 -8.599 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.011 -0.120 -8.212 1.00 0.00 H new ATOM 730 N MET A 64 2.210 -4.558 -10.681 1.00 0.00 N ATOM 731 CA MET A 64 2.648 -5.378 -11.812 1.00 0.00 C ATOM 732 C MET A 64 1.521 -6.271 -12.336 1.00 0.00 C ATOM 733 O MET A 64 1.734 -7.076 -13.239 1.00 0.00 O ATOM 734 CB MET A 64 3.860 -6.226 -11.417 1.00 0.00 C ATOM 735 CG MET A 64 3.727 -6.877 -10.053 1.00 0.00 C ATOM 736 SD MET A 64 5.200 -7.787 -9.576 1.00 0.00 S ATOM 737 CE MET A 64 4.754 -8.204 -7.900 1.00 0.00 C ATOM 0 H MET A 64 2.604 -4.838 -9.783 1.00 0.00 H new ATOM 0 HA MET A 64 2.934 -4.702 -12.618 1.00 0.00 H new ATOM 0 HB2 MET A 64 4.010 -7.002 -12.168 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.751 -5.598 -11.425 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.521 -6.110 -9.307 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.872 -7.554 -10.059 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.623 -8.085 -7.252 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.956 -7.544 -7.561 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.411 -9.238 -7.861 1.00 0.00 H new ATOM 747 N SER A 65 0.337 -6.138 -11.737 1.00 0.00 N ATOM 748 CA SER A 65 -0.884 -6.795 -12.214 1.00 0.00 C ATOM 749 C SER A 65 -0.859 -8.307 -11.976 1.00 0.00 C ATOM 750 O SER A 65 -1.801 -9.015 -12.330 1.00 0.00 O ATOM 751 CB SER A 65 -1.113 -6.480 -13.699 1.00 0.00 C ATOM 752 OG SER A 65 -2.411 -6.871 -14.122 1.00 0.00 O ATOM 0 H SER A 65 0.196 -5.569 -10.903 1.00 0.00 H new ATOM 0 HA SER A 65 -1.717 -6.397 -11.635 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.981 -5.412 -13.870 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.363 -6.994 -14.300 1.00 0.00 H new ATOM 0 HG SER A 65 -2.660 -7.710 -13.682 1.00 0.00 H new ATOM 758 N ASP A 66 0.208 -8.788 -11.360 1.00 0.00 N ATOM 759 CA ASP A 66 0.328 -10.198 -11.018 1.00 0.00 C ATOM 760 C ASP A 66 1.318 -10.393 -9.887 1.00 0.00 C ATOM 761 O ASP A 66 2.524 -10.205 -10.043 1.00 0.00 O ATOM 762 CB ASP A 66 0.731 -11.046 -12.219 1.00 0.00 C ATOM 763 CG ASP A 66 0.997 -12.491 -11.840 1.00 0.00 C ATOM 764 OD1 ASP A 66 0.025 -13.275 -11.741 1.00 0.00 O ATOM 765 OD2 ASP A 66 2.174 -12.853 -11.638 1.00 0.00 O ATOM 0 H ASP A 66 1.009 -8.220 -11.085 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.657 -10.532 -10.692 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.059 -11.009 -12.969 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.625 -10.622 -12.677 1.00 0.00 H new ATOM 770 N PRO A 67 0.786 -10.731 -8.722 1.00 0.00 N ATOM 771 CA PRO A 67 1.574 -10.980 -7.515 1.00 0.00 C ATOM 772 C PRO A 67 2.298 -12.327 -7.522 1.00 0.00 C ATOM 773 O PRO A 67 3.415 -12.444 -7.019 1.00 0.00 O ATOM 774 CB PRO A 67 0.506 -10.974 -6.421 1.00 0.00 C ATOM 775 CG PRO A 67 -0.739 -11.431 -7.102 1.00 0.00 C ATOM 776 CD PRO A 67 -0.662 -10.863 -8.489 1.00 0.00 C ATOM 0 HA PRO A 67 2.369 -10.244 -7.396 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.776 -11.640 -5.601 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.381 -9.978 -5.995 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.798 -12.519 -7.125 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.627 -11.075 -6.580 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.128 -11.523 -9.220 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.170 -9.901 -8.558 1.00 0.00 H new ATOM 784 N PHE A 68 1.665 -13.330 -8.116 1.00 0.00 N ATOM 785 CA PHE A 68 2.082 -14.716 -7.964 1.00 0.00 C ATOM 786 C PHE A 68 3.338 -15.060 -8.766 1.00 0.00 C ATOM 787 O PHE A 68 3.780 -16.210 -8.768 1.00 0.00 O ATOM 788 CB PHE A 68 0.935 -15.629 -8.383 1.00 0.00 C ATOM 789 CG PHE A 68 -0.375 -15.290 -7.725 1.00 0.00 C ATOM 790 CD1 PHE A 68 -0.435 -15.039 -6.366 1.00 0.00 C ATOM 791 CD2 PHE A 68 -1.544 -15.215 -8.467 1.00 0.00 C ATOM 792 CE1 PHE A 68 -1.633 -14.723 -5.755 1.00 0.00 C ATOM 793 CE2 PHE A 68 -2.746 -14.900 -7.862 1.00 0.00 C ATOM 794 CZ PHE A 68 -2.790 -14.654 -6.504 1.00 0.00 C ATOM 0 H PHE A 68 0.849 -13.205 -8.716 1.00 0.00 H new ATOM 0 HA PHE A 68 2.335 -14.865 -6.914 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.814 -15.573 -9.465 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.196 -16.660 -8.144 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.467 -15.091 -5.775 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.515 -15.405 -9.530 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.664 -14.530 -4.693 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.650 -14.846 -8.451 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.728 -14.408 -6.029 1.00 0.00 H new ATOM 804 N GLY A 69 3.910 -14.076 -9.441 1.00 0.00 N ATOM 805 CA GLY A 69 5.111 -14.318 -10.219 1.00 0.00 C ATOM 806 C GLY A 69 6.368 -14.107 -9.400 1.00 0.00 C ATOM 807 O GLY A 69 7.445 -14.603 -9.742 1.00 0.00 O ATOM 0 H GLY A 69 3.567 -13.116 -9.466 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.095 -15.338 -10.603 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.124 -13.653 -11.082 1.00 0.00 H new ATOM 811 N THR A 70 6.228 -13.371 -8.313 1.00 0.00 N ATOM 812 CA THR A 70 7.352 -13.051 -7.451 1.00 0.00 C ATOM 813 C THR A 70 7.053 -13.461 -6.010 1.00 0.00 C ATOM 814 O THR A 70 5.947 -13.905 -5.696 1.00 0.00 O ATOM 815 CB THR A 70 7.666 -11.542 -7.500 1.00 0.00 C ATOM 816 OG1 THR A 70 8.928 -11.269 -6.871 1.00 0.00 O ATOM 817 CG2 THR A 70 6.576 -10.756 -6.807 1.00 0.00 C ATOM 0 H THR A 70 5.338 -12.980 -8.004 1.00 0.00 H new ATOM 0 HA THR A 70 8.219 -13.605 -7.811 1.00 0.00 H new ATOM 0 HB THR A 70 7.718 -11.239 -8.546 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.113 -10.307 -6.912 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.811 -9.693 -6.849 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.624 -10.937 -7.305 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.506 -11.071 -5.766 1.00 0.00 H new ATOM 825 N ASN A 71 8.040 -13.310 -5.141 1.00 0.00 N ATOM 826 CA ASN A 71 7.866 -13.587 -3.723 1.00 0.00 C ATOM 827 C ASN A 71 8.224 -12.346 -2.914 1.00 0.00 C ATOM 828 O ASN A 71 8.318 -12.392 -1.689 1.00 0.00 O ATOM 829 CB ASN A 71 8.728 -14.778 -3.278 1.00 0.00 C ATOM 830 CG ASN A 71 10.213 -14.461 -3.226 1.00 0.00 C ATOM 831 OD1 ASN A 71 10.723 -13.651 -4.006 1.00 0.00 O ATOM 832 ND2 ASN A 71 10.914 -15.087 -2.293 1.00 0.00 N ATOM 0 H ASN A 71 8.976 -12.995 -5.395 1.00 0.00 H new ATOM 0 HA ASN A 71 6.822 -13.848 -3.548 1.00 0.00 H new ATOM 0 HB2 ASN A 71 8.399 -15.107 -2.292 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.565 -15.611 -3.962 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.914 -14.907 -2.199 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.454 -15.749 -1.668 1.00 0.00 H new ATOM 839 N THR A 72 8.447 -11.243 -3.623 1.00 0.00 N ATOM 840 CA THR A 72 8.772 -9.977 -2.999 1.00 0.00 C ATOM 841 C THR A 72 7.857 -8.878 -3.539 1.00 0.00 C ATOM 842 O THR A 72 7.983 -8.456 -4.688 1.00 0.00 O ATOM 843 CB THR A 72 10.241 -9.612 -3.259 1.00 0.00 C ATOM 844 OG1 THR A 72 11.068 -10.759 -3.005 1.00 0.00 O ATOM 845 CG2 THR A 72 10.669 -8.472 -2.364 1.00 0.00 C ATOM 0 H THR A 72 8.406 -11.208 -4.642 1.00 0.00 H new ATOM 0 HA THR A 72 8.621 -10.070 -1.923 1.00 0.00 H new ATOM 0 HB THR A 72 10.349 -9.300 -4.298 1.00 0.00 H new ATOM 0 HG1 THR A 72 12.006 -10.529 -3.172 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.712 -8.226 -2.561 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.047 -7.600 -2.563 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.557 -8.767 -1.321 1.00 0.00 H new ATOM 853 N TRP A 73 6.924 -8.438 -2.709 1.00 0.00 N ATOM 854 CA TRP A 73 5.901 -7.489 -3.131 1.00 0.00 C ATOM 855 C TRP A 73 6.196 -6.097 -2.594 1.00 0.00 C ATOM 856 O TRP A 73 6.711 -5.960 -1.492 1.00 0.00 O ATOM 857 CB TRP A 73 4.526 -7.966 -2.650 1.00 0.00 C ATOM 858 CG TRP A 73 4.096 -9.258 -3.273 1.00 0.00 C ATOM 859 CD1 TRP A 73 4.751 -9.959 -4.241 1.00 0.00 C ATOM 860 CD2 TRP A 73 2.913 -9.995 -2.977 1.00 0.00 C ATOM 861 NE1 TRP A 73 4.051 -11.093 -4.557 1.00 0.00 N ATOM 862 CE2 TRP A 73 2.918 -11.138 -3.797 1.00 0.00 C ATOM 863 CE3 TRP A 73 1.850 -9.807 -2.096 1.00 0.00 C ATOM 864 CZ2 TRP A 73 1.901 -12.079 -3.759 1.00 0.00 C ATOM 865 CZ3 TRP A 73 0.839 -10.740 -2.065 1.00 0.00 C ATOM 866 CH2 TRP A 73 0.873 -11.865 -2.890 1.00 0.00 C ATOM 0 H TRP A 73 6.853 -8.724 -1.733 1.00 0.00 H new ATOM 0 HA TRP A 73 5.903 -7.436 -4.220 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.548 -8.083 -1.567 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.785 -7.199 -2.873 1.00 0.00 H new ATOM 0 HD1 TRP A 73 5.686 -9.663 -4.693 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.331 -11.790 -5.247 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.820 -8.943 -1.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 1.922 -12.951 -4.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 0.006 -10.599 -1.392 1.00 0.00 H new ATOM 0 HH2 TRP A 73 0.067 -12.582 -2.839 1.00 0.00 H new ATOM 877 N PHE A 74 5.873 -5.070 -3.373 1.00 0.00 N ATOM 878 CA PHE A 74 6.139 -3.693 -2.966 1.00 0.00 C ATOM 879 C PHE A 74 4.843 -2.891 -2.948 1.00 0.00 C ATOM 880 O PHE A 74 4.159 -2.778 -3.967 1.00 0.00 O ATOM 881 CB PHE A 74 7.140 -3.030 -3.920 1.00 0.00 C ATOM 882 CG PHE A 74 8.270 -3.931 -4.338 1.00 0.00 C ATOM 883 CD1 PHE A 74 9.254 -4.308 -3.436 1.00 0.00 C ATOM 884 CD2 PHE A 74 8.338 -4.411 -5.636 1.00 0.00 C ATOM 885 CE1 PHE A 74 10.284 -5.146 -3.825 1.00 0.00 C ATOM 886 CE2 PHE A 74 9.363 -5.247 -6.029 1.00 0.00 C ATOM 887 CZ PHE A 74 10.337 -5.615 -5.123 1.00 0.00 C ATOM 0 H PHE A 74 5.428 -5.163 -4.286 1.00 0.00 H new ATOM 0 HA PHE A 74 6.567 -3.711 -1.964 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.610 -2.691 -4.810 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.554 -2.144 -3.439 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.216 -3.944 -2.420 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.579 -4.127 -6.350 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.045 -5.433 -3.115 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.403 -5.613 -7.044 1.00 0.00 H new ATOM 0 HZ PHE A 74 11.140 -6.269 -5.429 1.00 0.00 H new ATOM 897 N TYR A 75 4.499 -2.355 -1.785 1.00 0.00 N ATOM 898 CA TYR A 75 3.294 -1.545 -1.635 1.00 0.00 C ATOM 899 C TYR A 75 3.629 -0.202 -0.998 1.00 0.00 C ATOM 900 O TYR A 75 4.761 0.020 -0.568 1.00 0.00 O ATOM 901 CB TYR A 75 2.266 -2.284 -0.786 1.00 0.00 C ATOM 902 CG TYR A 75 1.821 -3.601 -1.367 1.00 0.00 C ATOM 903 CD1 TYR A 75 1.051 -3.652 -2.521 1.00 0.00 C ATOM 904 CD2 TYR A 75 2.159 -4.787 -0.748 1.00 0.00 C ATOM 905 CE1 TYR A 75 0.628 -4.860 -3.042 1.00 0.00 C ATOM 906 CE2 TYR A 75 1.747 -6.003 -1.261 1.00 0.00 C ATOM 907 CZ TYR A 75 0.979 -6.032 -2.408 1.00 0.00 C ATOM 908 OH TYR A 75 0.554 -7.238 -2.918 1.00 0.00 O ATOM 0 H TYR A 75 5.039 -2.466 -0.927 1.00 0.00 H new ATOM 0 HA TYR A 75 2.873 -1.365 -2.624 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.687 -2.460 0.204 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.393 -1.645 -0.653 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.778 -2.733 -3.019 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.755 -4.765 0.152 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.027 -4.885 -3.939 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.024 -6.923 -0.768 1.00 0.00 H new ATOM 0 HH TYR A 75 1.281 -7.892 -2.860 1.00 0.00 H new ATOM 918 N VAL A 76 2.639 0.685 -0.925 1.00 0.00 N ATOM 919 CA VAL A 76 2.874 2.049 -0.469 1.00 0.00 C ATOM 920 C VAL A 76 2.117 2.305 0.831 1.00 0.00 C ATOM 921 O VAL A 76 1.100 1.670 1.110 1.00 0.00 O ATOM 922 CB VAL A 76 2.448 3.084 -1.545 1.00 0.00 C ATOM 923 CG1 VAL A 76 2.808 4.512 -1.138 1.00 0.00 C ATOM 924 CG2 VAL A 76 3.073 2.749 -2.892 1.00 0.00 C ATOM 0 H VAL A 76 1.671 0.483 -1.175 1.00 0.00 H new ATOM 0 HA VAL A 76 3.943 2.166 -0.292 1.00 0.00 H new ATOM 0 HB VAL A 76 1.363 3.028 -1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.492 5.204 -1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.303 4.763 -0.205 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.886 4.590 -0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.761 3.487 -3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.159 2.762 -2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.747 1.758 -3.208 1.00 0.00 H new ATOM 934 N PHE A 77 2.643 3.209 1.635 1.00 0.00 N ATOM 935 CA PHE A 77 2.028 3.575 2.901 1.00 0.00 C ATOM 936 C PHE A 77 1.029 4.721 2.727 1.00 0.00 C ATOM 937 O PHE A 77 1.068 5.458 1.742 1.00 0.00 O ATOM 938 CB PHE A 77 3.109 3.976 3.906 1.00 0.00 C ATOM 939 CG PHE A 77 3.001 3.244 5.207 1.00 0.00 C ATOM 940 CD1 PHE A 77 2.906 1.867 5.216 1.00 0.00 C ATOM 941 CD2 PHE A 77 2.988 3.924 6.413 1.00 0.00 C ATOM 942 CE1 PHE A 77 2.799 1.172 6.401 1.00 0.00 C ATOM 943 CE2 PHE A 77 2.882 3.238 7.607 1.00 0.00 C ATOM 944 CZ PHE A 77 2.787 1.858 7.602 1.00 0.00 C ATOM 0 H PHE A 77 3.507 3.711 1.431 1.00 0.00 H new ATOM 0 HA PHE A 77 1.484 2.708 3.275 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.090 3.787 3.470 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.044 5.048 4.092 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.916 1.327 4.281 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.061 5.001 6.420 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.725 0.095 6.392 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.873 3.778 8.542 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.704 1.318 8.533 1.00 0.00 H new ATOM 1137 N THR A 90 7.799 1.650 2.500 1.00 0.00 N ATOM 1138 CA THR A 90 7.188 0.699 1.603 1.00 0.00 C ATOM 1139 C THR A 90 6.955 -0.636 2.276 1.00 0.00 C ATOM 1140 O THR A 90 7.764 -1.082 3.094 1.00 0.00 O ATOM 1141 CB THR A 90 8.109 0.476 0.405 1.00 0.00 C ATOM 1142 OG1 THR A 90 9.468 0.342 0.864 1.00 0.00 O ATOM 1143 CG2 THR A 90 7.992 1.627 -0.569 1.00 0.00 C ATOM 0 HA THR A 90 6.226 1.106 1.292 1.00 0.00 H new ATOM 0 HB THR A 90 7.814 -0.438 -0.110 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.530 0.643 1.795 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.654 1.454 -1.418 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.963 1.703 -0.921 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.274 2.555 -0.071 1.00 0.00 H new ATOM 1151 N LEU A 91 5.862 -1.278 1.915 1.00 0.00 N ATOM 1152 CA LEU A 91 5.581 -2.603 2.419 1.00 0.00 C ATOM 1153 C LEU A 91 6.161 -3.630 1.462 1.00 0.00 C ATOM 1154 O LEU A 91 5.660 -3.806 0.352 1.00 0.00 O ATOM 1155 CB LEU A 91 4.082 -2.849 2.575 1.00 0.00 C ATOM 1156 CG LEU A 91 3.745 -4.118 3.351 1.00 0.00 C ATOM 1157 CD1 LEU A 91 3.892 -3.873 4.837 1.00 0.00 C ATOM 1158 CD2 LEU A 91 2.353 -4.635 3.045 1.00 0.00 C ATOM 0 H LEU A 91 5.159 -0.904 1.278 1.00 0.00 H new ATOM 0 HA LEU A 91 6.037 -2.693 3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.634 -1.994 3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.628 -2.907 1.586 1.00 0.00 H new ATOM 0 HG LEU A 91 4.450 -4.885 3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.649 -4.785 5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.919 -3.581 5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.214 -3.076 5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.165 -5.539 3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.617 -3.876 3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.275 -4.862 1.982 1.00 0.00 H new ATOM 1170 N THR A 92 7.221 -4.289 1.886 1.00 0.00 N ATOM 1171 CA THR A 92 7.881 -5.277 1.065 1.00 0.00 C ATOM 1172 C THR A 92 7.552 -6.667 1.576 1.00 0.00 C ATOM 1173 O THR A 92 8.141 -7.152 2.538 1.00 0.00 O ATOM 1174 CB THR A 92 9.395 -5.058 1.055 1.00 0.00 C ATOM 1175 OG1 THR A 92 9.673 -3.686 0.750 1.00 0.00 O ATOM 1176 CG2 THR A 92 10.051 -5.951 0.029 1.00 0.00 C ATOM 0 H THR A 92 7.645 -4.154 2.804 1.00 0.00 H new ATOM 0 HA THR A 92 7.521 -5.176 0.041 1.00 0.00 H new ATOM 0 HB THR A 92 9.796 -5.306 2.038 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.338 -3.639 0.032 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.128 -5.782 0.035 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.846 -6.994 0.270 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.654 -5.722 -0.960 1.00 0.00 H new ATOM 1184 N LEU A 93 6.591 -7.302 0.948 1.00 0.00 N ATOM 1185 CA LEU A 93 6.108 -8.566 1.446 1.00 0.00 C ATOM 1186 C LEU A 93 6.999 -9.703 0.971 1.00 0.00 C ATOM 1187 O LEU A 93 7.285 -9.820 -0.220 1.00 0.00 O ATOM 1188 CB LEU A 93 4.662 -8.802 1.029 1.00 0.00 C ATOM 1189 CG LEU A 93 3.858 -9.531 2.067 1.00 0.00 C ATOM 1190 CD1 LEU A 93 3.746 -8.672 3.304 1.00 0.00 C ATOM 1191 CD2 LEU A 93 2.495 -9.876 1.542 1.00 0.00 C ATOM 0 H LEU A 93 6.133 -6.968 0.100 1.00 0.00 H new ATOM 0 HA LEU A 93 6.141 -8.536 2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.189 -7.842 0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.647 -9.373 0.100 1.00 0.00 H new ATOM 0 HG LEU A 93 4.364 -10.463 2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.163 -9.197 4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.742 -8.464 3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.252 -7.734 3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.931 -10.403 2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.968 -8.962 1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.594 -10.514 0.664 1.00 0.00 H new ATOM 1203 N THR A 94 7.444 -10.529 1.911 1.00 0.00 N ATOM 1204 CA THR A 94 8.346 -11.608 1.620 1.00 0.00 C ATOM 1205 C THR A 94 7.680 -12.963 1.865 1.00 0.00 C ATOM 1206 O THR A 94 7.168 -13.236 2.964 1.00 0.00 O ATOM 1207 CB THR A 94 9.613 -11.468 2.479 1.00 0.00 C ATOM 1208 OG1 THR A 94 10.435 -10.404 1.972 1.00 0.00 O ATOM 1209 CG2 THR A 94 10.387 -12.762 2.515 1.00 0.00 C ATOM 0 H THR A 94 7.182 -10.459 2.894 1.00 0.00 H new ATOM 0 HA THR A 94 8.620 -11.558 0.566 1.00 0.00 H new ATOM 0 HB THR A 94 9.313 -11.228 3.499 1.00 0.00 H new ATOM 0 HG1 THR A 94 11.239 -10.320 2.525 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.279 -12.636 3.129 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.762 -13.548 2.939 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.680 -13.039 1.502 1.00 0.00 H new ATOM 1217 N PHE A 95 7.690 -13.794 0.828 1.00 0.00 N ATOM 1218 CA PHE A 95 7.079 -15.115 0.876 1.00 0.00 C ATOM 1219 C PHE A 95 8.124 -16.212 0.752 1.00 0.00 C ATOM 1220 O PHE A 95 9.078 -16.093 -0.024 1.00 0.00 O ATOM 1221 CB PHE A 95 6.062 -15.272 -0.251 1.00 0.00 C ATOM 1222 CG PHE A 95 4.832 -14.444 -0.071 1.00 0.00 C ATOM 1223 CD1 PHE A 95 3.768 -14.940 0.650 1.00 0.00 C ATOM 1224 CD2 PHE A 95 4.734 -13.181 -0.622 1.00 0.00 C ATOM 1225 CE1 PHE A 95 2.626 -14.199 0.828 1.00 0.00 C ATOM 1226 CE2 PHE A 95 3.592 -12.432 -0.450 1.00 0.00 C ATOM 1227 CZ PHE A 95 2.536 -12.945 0.278 1.00 0.00 C ATOM 0 H PHE A 95 8.122 -13.570 -0.068 1.00 0.00 H new ATOM 0 HA PHE A 95 6.581 -15.208 1.841 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.535 -15.003 -1.195 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.775 -16.321 -0.326 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.833 -15.928 1.082 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.559 -12.779 -1.191 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.802 -14.601 1.398 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.522 -11.445 -0.883 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.639 -12.359 0.414 1.00 0.00 H new ATOM 1237 N ASN A 96 7.937 -17.277 1.520 1.00 0.00 N ATOM 1238 CA ASN A 96 8.823 -18.433 1.457 1.00 0.00 C ATOM 1239 C ASN A 96 8.554 -19.266 0.205 1.00 0.00 C ATOM 1240 O ASN A 96 7.738 -18.884 -0.637 1.00 0.00 O ATOM 1241 CB ASN A 96 8.697 -19.296 2.721 1.00 0.00 C ATOM 1242 CG ASN A 96 7.291 -19.814 2.977 1.00 0.00 C ATOM 1243 OD1 ASN A 96 6.522 -20.086 2.049 1.00 0.00 O ATOM 1244 ND2 ASN A 96 6.948 -19.956 4.248 1.00 0.00 N ATOM 0 H ASN A 96 7.178 -17.365 2.196 1.00 0.00 H new ATOM 0 HA ASN A 96 9.846 -18.062 1.402 1.00 0.00 H new ATOM 0 HB2 ASN A 96 9.377 -20.144 2.639 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.020 -18.711 3.582 1.00 0.00 H new ATOM 0 HD21 ASN A 96 6.019 -20.301 4.490 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.613 -19.720 4.985 1.00 0.00 H new ATOM 1251 N SER A 97 9.217 -20.409 0.102 1.00 0.00 N ATOM 1252 CA SER A 97 9.130 -21.270 -1.074 1.00 0.00 C ATOM 1253 C SER A 97 7.684 -21.631 -1.443 1.00 0.00 C ATOM 1254 O SER A 97 7.336 -21.692 -2.626 1.00 0.00 O ATOM 1255 CB SER A 97 9.934 -22.540 -0.815 1.00 0.00 C ATOM 1256 OG SER A 97 11.181 -22.228 -0.216 1.00 0.00 O ATOM 0 H SER A 97 9.832 -20.768 0.832 1.00 0.00 H new ATOM 0 HA SER A 97 9.539 -20.719 -1.921 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.369 -23.208 -0.165 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.098 -23.071 -1.753 1.00 0.00 H new ATOM 0 HG SER A 97 11.683 -23.054 -0.055 1.00 0.00 H new ATOM 1262 N SER A 98 6.834 -21.830 -0.438 1.00 0.00 N ATOM 1263 CA SER A 98 5.478 -22.303 -0.673 1.00 0.00 C ATOM 1264 C SER A 98 4.539 -21.133 -0.974 1.00 0.00 C ATOM 1265 O SER A 98 3.345 -21.323 -1.214 1.00 0.00 O ATOM 1266 CB SER A 98 4.979 -23.091 0.547 1.00 0.00 C ATOM 1267 OG SER A 98 3.722 -23.703 0.297 1.00 0.00 O ATOM 0 H SER A 98 7.062 -21.671 0.543 1.00 0.00 H new ATOM 0 HA SER A 98 5.486 -22.962 -1.541 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.710 -23.855 0.811 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.894 -22.422 1.403 1.00 0.00 H new ATOM 0 HG SER A 98 3.166 -23.101 -0.241 1.00 0.00 H new ATOM 1273 N GLY A 99 5.083 -19.922 -0.972 1.00 0.00 N ATOM 1274 CA GLY A 99 4.265 -18.747 -1.204 1.00 0.00 C ATOM 1275 C GLY A 99 3.486 -18.355 0.030 1.00 0.00 C ATOM 1276 O GLY A 99 2.391 -17.802 -0.061 1.00 0.00 O ATOM 0 H GLY A 99 6.073 -19.733 -0.814 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.900 -17.917 -1.512 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.574 -18.941 -2.024 1.00 0.00 H new ATOM 1280 N VAL A 100 4.056 -18.655 1.185 1.00 0.00 N ATOM 1281 CA VAL A 100 3.436 -18.326 2.457 1.00 0.00 C ATOM 1282 C VAL A 100 4.165 -17.148 3.087 1.00 0.00 C ATOM 1283 O VAL A 100 5.391 -17.051 2.984 1.00 0.00 O ATOM 1284 CB VAL A 100 3.472 -19.522 3.424 1.00 0.00 C ATOM 1285 CG1 VAL A 100 2.529 -19.284 4.590 1.00 0.00 C ATOM 1286 CG2 VAL A 100 3.124 -20.809 2.694 1.00 0.00 C ATOM 0 H VAL A 100 4.955 -19.130 1.267 1.00 0.00 H new ATOM 0 HA VAL A 100 2.394 -18.068 2.270 1.00 0.00 H new ATOM 0 HB VAL A 100 4.483 -19.623 3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.564 -20.138 5.267 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.832 -18.384 5.125 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.513 -19.159 4.216 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.155 -21.644 3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.123 -20.728 2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.844 -20.980 1.894 1.00 0.00 H new ATOM 1296 N LEU A 101 3.412 -16.239 3.699 1.00 0.00 N ATOM 1297 CA LEU A 101 3.985 -15.073 4.338 1.00 0.00 C ATOM 1298 C LEU A 101 4.952 -15.441 5.440 1.00 0.00 C ATOM 1299 O LEU A 101 4.620 -16.196 6.355 1.00 0.00 O ATOM 1300 CB LEU A 101 2.888 -14.194 4.909 1.00 0.00 C ATOM 1301 CG LEU A 101 2.541 -13.002 4.041 1.00 0.00 C ATOM 1302 CD1 LEU A 101 1.504 -12.137 4.722 1.00 0.00 C ATOM 1303 CD2 LEU A 101 3.788 -12.199 3.737 1.00 0.00 C ATOM 0 H LEU A 101 2.395 -16.294 3.763 1.00 0.00 H new ATOM 0 HA LEU A 101 4.538 -14.531 3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.992 -14.797 5.055 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.196 -13.838 5.892 1.00 0.00 H new ATOM 0 HG LEU A 101 2.122 -13.362 3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.266 -11.285 4.085 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.601 -12.722 4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.897 -11.780 5.674 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.527 -11.345 3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.230 -11.846 4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.506 -12.828 3.210 1.00 0.00 H new ATOM 1315 N THR A 102 6.146 -14.898 5.339 1.00 0.00 N ATOM 1316 CA THR A 102 7.139 -15.058 6.380 1.00 0.00 C ATOM 1317 C THR A 102 7.386 -13.728 7.063 1.00 0.00 C ATOM 1318 O THR A 102 7.451 -13.646 8.289 1.00 0.00 O ATOM 1319 CB THR A 102 8.468 -15.600 5.820 1.00 0.00 C ATOM 1320 OG1 THR A 102 9.195 -14.560 5.153 1.00 0.00 O ATOM 1321 CG2 THR A 102 8.197 -16.710 4.833 1.00 0.00 C ATOM 0 H THR A 102 6.454 -14.339 4.543 1.00 0.00 H new ATOM 0 HA THR A 102 6.753 -15.781 7.098 1.00 0.00 H new ATOM 0 HB THR A 102 9.059 -15.978 6.654 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.662 -14.010 5.816 1.00 0.00 H new ATOM 0 HG21 THR A 102 9.142 -17.088 4.442 1.00 0.00 H new ATOM 0 HG22 THR A 102 7.662 -17.518 5.332 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.591 -16.327 4.012 1.00 0.00 H new ATOM 1329 N ASN A 103 7.495 -12.676 6.259 1.00 0.00 N ATOM 1330 CA ASN A 103 7.764 -11.346 6.798 1.00 0.00 C ATOM 1331 C ASN A 103 6.903 -10.297 6.130 1.00 0.00 C ATOM 1332 O ASN A 103 6.507 -10.433 4.970 1.00 0.00 O ATOM 1333 CB ASN A 103 9.224 -10.905 6.603 1.00 0.00 C ATOM 1334 CG ASN A 103 10.262 -11.743 7.335 1.00 0.00 C ATOM 1335 OD1 ASN A 103 10.148 -12.960 7.459 1.00 0.00 O ATOM 1336 ND2 ASN A 103 11.296 -11.079 7.825 1.00 0.00 N ATOM 0 H ASN A 103 7.403 -12.715 5.244 1.00 0.00 H new ATOM 0 HA ASN A 103 7.541 -11.425 7.862 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.452 -10.924 5.537 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.320 -9.870 6.931 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.032 -11.578 8.325 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.357 -10.068 7.703 1.00 0.00 H new ATOM 1343 N ILE A 104 6.643 -9.243 6.879 1.00 0.00 N ATOM 1344 CA ILE A 104 6.033 -8.040 6.344 1.00 0.00 C ATOM 1345 C ILE A 104 7.070 -6.930 6.460 1.00 0.00 C ATOM 1346 O ILE A 104 7.154 -6.261 7.492 1.00 0.00 O ATOM 1347 CB ILE A 104 4.775 -7.610 7.138 1.00 0.00 C ATOM 1348 CG1 ILE A 104 3.962 -8.818 7.635 1.00 0.00 C ATOM 1349 CG2 ILE A 104 3.902 -6.672 6.303 1.00 0.00 C ATOM 1350 CD1 ILE A 104 3.304 -9.647 6.554 1.00 0.00 C ATOM 0 H ILE A 104 6.849 -9.196 7.877 1.00 0.00 H new ATOM 0 HA ILE A 104 5.723 -8.230 5.316 1.00 0.00 H new ATOM 0 HB ILE A 104 5.119 -7.071 8.021 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.621 -9.465 8.214 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.189 -8.459 8.315 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.024 -6.382 6.880 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.473 -5.782 6.040 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.586 -7.183 5.393 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.757 -10.472 7.010 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.613 -9.023 5.987 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.067 -10.044 5.885 1.00 0.00 H new ATOM 1362 N ASP A 105 7.858 -6.731 5.417 1.00 0.00 N ATOM 1363 CA ASP A 105 9.013 -5.843 5.511 1.00 0.00 C ATOM 1364 C ASP A 105 8.619 -4.411 5.219 1.00 0.00 C ATOM 1365 O ASP A 105 8.573 -3.989 4.072 1.00 0.00 O ATOM 1366 CB ASP A 105 10.104 -6.291 4.541 1.00 0.00 C ATOM 1367 CG ASP A 105 11.466 -5.724 4.878 1.00 0.00 C ATOM 1368 OD1 ASP A 105 11.980 -6.018 5.979 1.00 0.00 O ATOM 1369 OD2 ASP A 105 12.048 -5.015 4.036 1.00 0.00 O ATOM 0 H ASP A 105 7.725 -7.165 4.504 1.00 0.00 H new ATOM 0 HA ASP A 105 9.398 -5.894 6.530 1.00 0.00 H new ATOM 0 HB2 ASP A 105 10.159 -7.380 4.543 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.831 -5.988 3.530 1.00 0.00 H new ATOM 1374 N ASN A 106 8.344 -3.666 6.264 1.00 0.00 N ATOM 1375 CA ASN A 106 7.935 -2.281 6.114 1.00 0.00 C ATOM 1376 C ASN A 106 9.061 -1.361 6.535 1.00 0.00 C ATOM 1377 O ASN A 106 9.353 -1.198 7.720 1.00 0.00 O ATOM 1378 CB ASN A 106 6.659 -2.016 6.912 1.00 0.00 C ATOM 1379 CG ASN A 106 6.234 -0.558 6.921 1.00 0.00 C ATOM 1380 OD1 ASN A 106 6.575 0.216 6.027 1.00 0.00 O ATOM 1381 ND2 ASN A 106 5.448 -0.186 7.919 1.00 0.00 N ATOM 0 H ASN A 106 8.395 -3.992 7.229 1.00 0.00 H new ATOM 0 HA ASN A 106 7.714 -2.081 5.066 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.850 -2.618 6.497 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.809 -2.348 7.939 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.102 0.773 7.966 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.188 -0.858 8.641 1.00 0.00 H new ATOM 1388 N LYS A 107 9.706 -0.794 5.537 1.00 0.00 N ATOM 1389 CA LYS A 107 10.847 0.074 5.736 1.00 0.00 C ATOM 1390 C LYS A 107 10.836 1.165 4.662 1.00 0.00 C ATOM 1391 O LYS A 107 10.098 1.053 3.684 1.00 0.00 O ATOM 1392 CB LYS A 107 12.141 -0.743 5.653 1.00 0.00 C ATOM 1393 CG LYS A 107 12.596 -1.017 4.232 1.00 0.00 C ATOM 1394 CD LYS A 107 11.700 -2.010 3.512 1.00 0.00 C ATOM 1395 CE LYS A 107 12.157 -2.222 2.077 1.00 0.00 C ATOM 1396 NZ LYS A 107 12.066 -0.977 1.265 1.00 0.00 N ATOM 0 H LYS A 107 9.451 -0.924 4.558 1.00 0.00 H new ATOM 0 HA LYS A 107 10.793 0.537 6.721 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.931 -0.211 6.182 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.995 -1.692 6.168 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.616 -0.081 3.674 1.00 0.00 H new ATOM 0 HG3 LYS A 107 13.616 -1.400 4.249 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.707 -2.962 4.043 1.00 0.00 H new ATOM 0 HD3 LYS A 107 10.672 -1.648 3.519 1.00 0.00 H new ATOM 0 HE2 LYS A 107 13.187 -2.580 2.075 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.548 -3.000 1.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 12.290 -1.193 0.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 11.102 -0.592 1.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 12.743 -0.276 1.628 1.00 0.00 H new