USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=20 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 78:sc= 0.754 USER MOD Set 1.2: A 103 ASN : amide:sc= 0.174 K(o=0.93,f=-5.2!) USER MOD Set 2.1: A 92 THR OG1 : rot -140:sc= 0.883 USER MOD Set 2.2: A 107 LYS NZ :NH3+ -171:sc= 2.26 (180deg=1.18) USER MOD Single : A 39 THR OG1 : rot -52:sc= 1.32 USER MOD Single : A 41 ASN : amide:sc= -0.0389 X(o=-0.039,f=-0.42) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -145:sc= 0.933 (180deg=0.223) USER MOD Single : A 50 MET CE :methyl -131:sc= -8.46! (180deg=-12.3!) USER MOD Single : A 51 THR OG1 : rot -149:sc= -3.87! USER MOD Single : A 52 GLN : amide:sc= 0.00275 X(o=0.0027,f=0) USER MOD Single : A 53 GLN :FLIP amide:sc=-0.00709 F(o=-2.8!,f=-0.0071) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.13) 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 -142:sc= -4.69! (180deg=-7.25!) USER MOD Single : A 65 SER OG : rot -39:sc= 0.327 USER MOD Single : A 70 THR OG1 : rot -151:sc= 0.0803 USER MOD Single : A 71 ASN : amide:sc= 0.641 K(o=0.64,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 146:sc= 0.0866 USER MOD Single : A 90 THR OG1 : rot -17:sc= 0.618 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -1.36! C(o=-1.4!,f=-8.8!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0.236 K(o=0.24,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 334 N LEU A 38 -1.852 0.638 -2.397 1.00 0.00 N ATOM 335 CA LEU A 38 -2.043 0.237 -1.007 1.00 0.00 C ATOM 336 C LEU A 38 -1.508 1.298 -0.057 1.00 0.00 C ATOM 337 O LEU A 38 -0.600 2.051 -0.406 1.00 0.00 O ATOM 338 CB LEU A 38 -1.331 -1.085 -0.730 1.00 0.00 C ATOM 339 CG LEU A 38 -1.676 -1.736 0.604 1.00 0.00 C ATOM 340 CD1 LEU A 38 -2.833 -2.693 0.417 1.00 0.00 C ATOM 341 CD2 LEU A 38 -0.477 -2.448 1.200 1.00 0.00 C ATOM 0 HA LEU A 38 -3.114 0.117 -0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.571 -1.784 -1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.255 -0.915 -0.767 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.968 -0.955 1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.079 -3.158 1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.700 -2.147 0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.555 -3.464 -0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.758 -2.901 2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.137 -3.224 0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.328 -1.731 1.364 1.00 0.00 H new ATOM 353 N THR A 39 -2.078 1.351 1.138 1.00 0.00 N ATOM 354 CA THR A 39 -1.618 2.268 2.164 1.00 0.00 C ATOM 355 C THR A 39 -1.318 1.529 3.467 1.00 0.00 C ATOM 356 O THR A 39 -1.413 0.302 3.529 1.00 0.00 O ATOM 357 CB THR A 39 -2.649 3.375 2.456 1.00 0.00 C ATOM 358 OG1 THR A 39 -3.760 2.839 3.186 1.00 0.00 O ATOM 359 CG2 THR A 39 -3.144 3.994 1.165 1.00 0.00 C ATOM 0 H THR A 39 -2.864 0.765 1.419 1.00 0.00 H new ATOM 0 HA THR A 39 -0.707 2.726 1.777 1.00 0.00 H new ATOM 0 HB THR A 39 -2.162 4.144 3.055 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.114 2.056 2.715 1.00 0.00 H new ATOM 0 HG21 THR A 39 -3.871 4.774 1.391 1.00 0.00 H new ATOM 0 HG22 THR A 39 -2.303 4.428 0.624 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.614 3.226 0.550 1.00 0.00 H new ATOM 367 N ALA A 40 -0.992 2.284 4.510 1.00 0.00 N ATOM 368 CA ALA A 40 -0.692 1.707 5.821 1.00 0.00 C ATOM 369 C ALA A 40 -1.939 1.085 6.429 1.00 0.00 C ATOM 370 O ALA A 40 -1.879 0.061 7.112 1.00 0.00 O ATOM 371 CB ALA A 40 -0.151 2.778 6.753 1.00 0.00 C ATOM 0 H ALA A 40 -0.928 3.301 4.476 1.00 0.00 H new ATOM 0 HA ALA A 40 0.061 0.930 5.689 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.069 2.337 7.725 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.761 3.200 6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.894 3.566 6.872 1.00 0.00 H new ATOM 377 N ASN A 41 -3.069 1.713 6.149 1.00 0.00 N ATOM 378 CA ASN A 41 -4.354 1.293 6.688 1.00 0.00 C ATOM 379 C ASN A 41 -4.709 -0.081 6.158 1.00 0.00 C ATOM 380 O ASN A 41 -5.184 -0.953 6.884 1.00 0.00 O ATOM 381 CB ASN A 41 -5.423 2.301 6.275 1.00 0.00 C ATOM 382 CG ASN A 41 -5.053 3.722 6.659 1.00 0.00 C ATOM 383 OD1 ASN A 41 -4.355 3.954 7.644 1.00 0.00 O ATOM 384 ND2 ASN A 41 -5.508 4.686 5.879 1.00 0.00 N ATOM 0 H ASN A 41 -3.122 2.530 5.541 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.297 1.247 7.776 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.574 2.246 5.197 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.370 2.035 6.744 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.282 5.659 6.086 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.085 4.457 5.069 1.00 0.00 H new ATOM 391 N ASP A 42 -4.449 -0.254 4.878 1.00 0.00 N ATOM 392 CA ASP A 42 -4.690 -1.515 4.199 1.00 0.00 C ATOM 393 C ASP A 42 -3.724 -2.591 4.684 1.00 0.00 C ATOM 394 O ASP A 42 -4.051 -3.771 4.658 1.00 0.00 O ATOM 395 CB ASP A 42 -4.559 -1.345 2.690 1.00 0.00 C ATOM 396 CG ASP A 42 -5.476 -0.283 2.119 1.00 0.00 C ATOM 397 OD1 ASP A 42 -6.619 -0.616 1.728 1.00 0.00 O ATOM 398 OD2 ASP A 42 -5.051 0.888 2.035 1.00 0.00 O ATOM 0 H ASP A 42 -4.064 0.475 4.277 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.707 -1.830 4.434 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.527 -1.090 2.449 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.773 -2.297 2.205 1.00 0.00 H new ATOM 403 N VAL A 43 -2.538 -2.186 5.132 1.00 0.00 N ATOM 404 CA VAL A 43 -1.570 -3.132 5.691 1.00 0.00 C ATOM 405 C VAL A 43 -2.155 -3.851 6.907 1.00 0.00 C ATOM 406 O VAL A 43 -1.920 -5.038 7.117 1.00 0.00 O ATOM 407 CB VAL A 43 -0.245 -2.438 6.094 1.00 0.00 C ATOM 408 CG1 VAL A 43 0.649 -3.390 6.869 1.00 0.00 C ATOM 409 CG2 VAL A 43 0.490 -1.948 4.872 1.00 0.00 C ATOM 0 H VAL A 43 -2.224 -1.216 5.120 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.351 -3.857 4.907 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.495 -1.588 6.729 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.573 -2.881 7.141 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.135 -3.717 7.773 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.881 -4.257 6.250 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.418 -1.463 5.176 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.717 -2.792 4.221 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.133 -1.233 4.335 1.00 0.00 H new ATOM 419 N SER A 44 -2.936 -3.122 7.691 1.00 0.00 N ATOM 420 CA SER A 44 -3.599 -3.679 8.866 1.00 0.00 C ATOM 421 C SER A 44 -4.525 -4.840 8.487 1.00 0.00 C ATOM 422 O SER A 44 -4.870 -5.679 9.323 1.00 0.00 O ATOM 423 CB SER A 44 -4.389 -2.575 9.564 1.00 0.00 C ATOM 424 OG SER A 44 -4.972 -3.026 10.777 1.00 0.00 O ATOM 0 H SER A 44 -3.129 -2.133 7.534 1.00 0.00 H new ATOM 0 HA SER A 44 -2.841 -4.074 9.542 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.730 -1.732 9.770 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.172 -2.212 8.898 1.00 0.00 H new ATOM 0 HG SER A 44 -5.468 -2.291 11.195 1.00 0.00 H new ATOM 430 N LYS A 45 -4.912 -4.886 7.222 1.00 0.00 N ATOM 431 CA LYS A 45 -5.841 -5.891 6.731 1.00 0.00 C ATOM 432 C LYS A 45 -5.170 -7.255 6.571 1.00 0.00 C ATOM 433 O LYS A 45 -5.854 -8.279 6.507 1.00 0.00 O ATOM 434 CB LYS A 45 -6.429 -5.445 5.403 1.00 0.00 C ATOM 435 CG LYS A 45 -7.179 -4.128 5.490 1.00 0.00 C ATOM 436 CD LYS A 45 -7.646 -3.683 4.120 1.00 0.00 C ATOM 437 CE LYS A 45 -8.623 -4.685 3.540 1.00 0.00 C ATOM 438 NZ LYS A 45 -8.884 -4.440 2.096 1.00 0.00 N ATOM 0 H LYS A 45 -4.592 -4.230 6.509 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.636 -5.997 7.469 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.626 -5.350 4.672 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.105 -6.217 5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.037 -4.236 6.154 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.533 -3.365 5.925 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.120 -2.704 4.191 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.789 -3.575 3.455 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.229 -5.693 3.671 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.562 -4.636 4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.874 -4.670 1.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.705 -3.440 1.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.255 -5.039 1.523 1.00 0.00 H new ATOM 452 N ILE A 46 -3.841 -7.275 6.500 1.00 0.00 N ATOM 453 CA ILE A 46 -3.125 -8.518 6.335 1.00 0.00 C ATOM 454 C ILE A 46 -2.417 -8.947 7.596 1.00 0.00 C ATOM 455 O ILE A 46 -2.433 -8.255 8.612 1.00 0.00 O ATOM 456 CB ILE A 46 -2.091 -8.466 5.204 1.00 0.00 C ATOM 457 CG1 ILE A 46 -1.071 -7.342 5.411 1.00 0.00 C ATOM 458 CG2 ILE A 46 -2.787 -8.352 3.872 1.00 0.00 C ATOM 459 CD1 ILE A 46 -0.023 -7.294 4.324 1.00 0.00 C ATOM 0 H ILE A 46 -3.250 -6.446 6.555 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.897 -9.245 6.082 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.526 -9.398 5.217 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.593 -6.386 5.448 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.581 -7.475 6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.044 -8.316 3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.435 -9.216 3.725 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.386 -7.442 3.851 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.672 -6.478 4.524 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.522 -8.238 4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.506 -7.131 3.360 1.00 0.00 H new ATOM 471 N ARG A 47 -1.786 -10.103 7.494 1.00 0.00 N ATOM 472 CA ARG A 47 -1.085 -10.720 8.606 1.00 0.00 C ATOM 473 C ARG A 47 -0.250 -11.879 8.104 1.00 0.00 C ATOM 474 O ARG A 47 -0.587 -12.516 7.102 1.00 0.00 O ATOM 475 CB ARG A 47 -2.074 -11.219 9.669 1.00 0.00 C ATOM 476 CG ARG A 47 -3.068 -12.255 9.158 1.00 0.00 C ATOM 477 CD ARG A 47 -4.304 -11.611 8.542 1.00 0.00 C ATOM 478 NE ARG A 47 -5.055 -10.839 9.533 1.00 0.00 N ATOM 479 CZ ARG A 47 -6.362 -10.592 9.464 1.00 0.00 C ATOM 480 NH1 ARG A 47 -7.074 -11.022 8.428 1.00 0.00 N ATOM 481 NH2 ARG A 47 -6.953 -9.917 10.443 1.00 0.00 N ATOM 0 H ARG A 47 -1.745 -10.644 6.630 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.437 -9.971 9.062 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.513 -11.648 10.499 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.626 -10.366 10.065 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.582 -12.888 8.415 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.370 -12.903 9.981 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.005 -10.959 7.721 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.946 -12.384 8.118 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.542 -10.464 10.331 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.620 -11.545 7.679 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.075 -10.829 8.382 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.406 -9.592 11.240 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.954 -9.724 10.398 1.00 0.00 H new ATOM 495 N VAL A 48 0.840 -12.142 8.794 1.00 0.00 N ATOM 496 CA VAL A 48 1.740 -13.207 8.416 1.00 0.00 C ATOM 497 C VAL A 48 1.112 -14.553 8.729 1.00 0.00 C ATOM 498 O VAL A 48 0.453 -14.714 9.757 1.00 0.00 O ATOM 499 CB VAL A 48 3.070 -13.091 9.161 1.00 0.00 C ATOM 500 CG1 VAL A 48 4.210 -13.589 8.293 1.00 0.00 C ATOM 501 CG2 VAL A 48 3.303 -11.659 9.595 1.00 0.00 C ATOM 0 H VAL A 48 1.124 -11.626 9.627 1.00 0.00 H new ATOM 0 HA VAL A 48 1.927 -13.124 7.345 1.00 0.00 H new ATOM 0 HB VAL A 48 3.029 -13.716 10.053 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.149 -13.499 8.839 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.040 -14.634 8.033 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.261 -12.992 7.382 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.253 -11.589 10.124 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.328 -11.012 8.718 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.496 -11.343 10.256 1.00 0.00 H new ATOM 511 N GLY A 49 1.326 -15.515 7.857 1.00 0.00 N ATOM 512 CA GLY A 49 0.729 -16.816 8.042 1.00 0.00 C ATOM 513 C GLY A 49 -0.144 -17.213 6.873 1.00 0.00 C ATOM 514 O GLY A 49 -0.283 -18.398 6.574 1.00 0.00 O ATOM 0 H GLY A 49 1.903 -15.421 7.021 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.515 -17.559 8.176 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.133 -16.814 8.955 1.00 0.00 H new ATOM 518 N MET A 50 -0.741 -16.234 6.201 1.00 0.00 N ATOM 519 CA MET A 50 -1.552 -16.530 5.029 1.00 0.00 C ATOM 520 C MET A 50 -0.706 -16.545 3.767 1.00 0.00 C ATOM 521 O MET A 50 0.500 -16.291 3.808 1.00 0.00 O ATOM 522 CB MET A 50 -2.735 -15.573 4.869 1.00 0.00 C ATOM 523 CG MET A 50 -2.399 -14.100 4.935 1.00 0.00 C ATOM 524 SD MET A 50 -3.862 -13.085 4.638 1.00 0.00 S ATOM 525 CE MET A 50 -3.164 -11.446 4.673 1.00 0.00 C ATOM 0 H MET A 50 -0.680 -15.245 6.443 1.00 0.00 H new ATOM 0 HA MET A 50 -1.966 -17.526 5.187 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.215 -15.775 3.912 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.467 -15.795 5.646 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.981 -13.863 5.913 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.633 -13.865 4.195 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.760 -10.811 5.328 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.141 -11.494 5.046 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.163 -11.029 3.666 1.00 0.00 H new ATOM 535 N THR A 51 -1.349 -16.839 2.651 1.00 0.00 N ATOM 536 CA THR A 51 -0.649 -17.092 1.411 1.00 0.00 C ATOM 537 C THR A 51 -0.551 -15.849 0.543 1.00 0.00 C ATOM 538 O THR A 51 -0.962 -14.756 0.948 1.00 0.00 O ATOM 539 CB THR A 51 -1.359 -18.185 0.605 1.00 0.00 C ATOM 540 OG1 THR A 51 -2.627 -17.720 0.139 1.00 0.00 O ATOM 541 CG2 THR A 51 -1.580 -19.391 1.465 1.00 0.00 C ATOM 0 H THR A 51 -2.364 -16.908 2.582 1.00 0.00 H new ATOM 0 HA THR A 51 0.357 -17.411 1.684 1.00 0.00 H new ATOM 0 HB THR A 51 -0.730 -18.442 -0.247 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.251 -18.474 0.081 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.085 -20.164 0.885 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.619 -19.769 1.815 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.197 -19.119 2.322 1.00 0.00 H new ATOM 549 N GLN A 52 -0.027 -16.033 -0.658 1.00 0.00 N ATOM 550 CA GLN A 52 0.032 -14.963 -1.637 1.00 0.00 C ATOM 551 C GLN A 52 -1.369 -14.589 -2.076 1.00 0.00 C ATOM 552 O GLN A 52 -1.710 -13.412 -2.155 1.00 0.00 O ATOM 553 CB GLN A 52 0.846 -15.381 -2.858 1.00 0.00 C ATOM 554 CG GLN A 52 2.266 -15.790 -2.527 1.00 0.00 C ATOM 555 CD GLN A 52 3.113 -16.026 -3.758 1.00 0.00 C ATOM 556 OE1 GLN A 52 3.162 -17.132 -4.288 1.00 0.00 O ATOM 557 NE2 GLN A 52 3.795 -14.987 -4.210 1.00 0.00 N ATOM 0 H GLN A 52 0.365 -16.919 -0.978 1.00 0.00 H new ATOM 0 HA GLN A 52 0.517 -14.105 -1.171 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.343 -16.212 -3.353 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.871 -14.555 -3.568 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.729 -15.015 -1.917 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.246 -16.699 -1.926 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.724 -14.086 -3.738 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.392 -15.087 -5.031 1.00 0.00 H new ATOM 566 N GLN A 53 -2.195 -15.598 -2.333 1.00 0.00 N ATOM 567 CA GLN A 53 -3.546 -15.350 -2.826 1.00 0.00 C ATOM 568 C GLN A 53 -4.360 -14.643 -1.761 1.00 0.00 C ATOM 569 O GLN A 53 -5.201 -13.798 -2.054 1.00 0.00 O ATOM 570 CB GLN A 53 -4.235 -16.647 -3.265 1.00 0.00 C ATOM 571 CG GLN A 53 -4.449 -17.669 -2.163 1.00 0.00 C ATOM 572 CD GLN A 53 -5.909 -17.817 -1.764 1.00 0.00 C ATOM 573 OE1 GLN A 53 -6.347 -17.013 -0.811 1.00 0.00 O flip ATOM 574 NE2 GLN A 53 -6.635 -18.648 -2.312 1.00 0.00 N flip ATOM 0 H GLN A 53 -1.958 -16.582 -2.210 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.475 -14.709 -3.705 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.203 -16.397 -3.700 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.640 -17.106 -4.055 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.069 -18.636 -2.493 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.867 -17.379 -1.288 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.258 -19.250 -3.044 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.613 -18.734 -2.034 1.00 0.00 H new ATOM 583 N GLN A 54 -4.081 -14.994 -0.519 1.00 0.00 N ATOM 584 CA GLN A 54 -4.716 -14.353 0.620 1.00 0.00 C ATOM 585 C GLN A 54 -4.393 -12.866 0.642 1.00 0.00 C ATOM 586 O GLN A 54 -5.288 -12.023 0.627 1.00 0.00 O ATOM 587 CB GLN A 54 -4.230 -14.975 1.918 1.00 0.00 C ATOM 588 CG GLN A 54 -4.481 -16.463 2.041 1.00 0.00 C ATOM 589 CD GLN A 54 -5.689 -16.789 2.880 1.00 0.00 C ATOM 590 OE1 GLN A 54 -6.685 -16.067 2.881 1.00 0.00 O ATOM 591 NE2 GLN A 54 -5.587 -17.867 3.634 1.00 0.00 N ATOM 0 H GLN A 54 -3.414 -15.725 -0.271 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.793 -14.494 0.526 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.160 -14.792 2.014 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.716 -14.468 2.752 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.612 -16.887 1.046 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.603 -16.939 2.478 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.741 -18.435 3.599 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.354 -18.132 4.252 1.00 0.00 H new ATOM 600 N VAL A 55 -3.101 -12.553 0.667 1.00 0.00 N ATOM 601 CA VAL A 55 -2.655 -11.173 0.728 1.00 0.00 C ATOM 602 C VAL A 55 -3.071 -10.393 -0.506 1.00 0.00 C ATOM 603 O VAL A 55 -3.525 -9.264 -0.394 1.00 0.00 O ATOM 604 CB VAL A 55 -1.134 -11.086 0.899 1.00 0.00 C ATOM 605 CG1 VAL A 55 -0.676 -9.641 0.847 1.00 0.00 C ATOM 606 CG2 VAL A 55 -0.726 -11.715 2.206 1.00 0.00 C ATOM 0 H VAL A 55 -2.347 -13.240 0.646 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.136 -10.728 1.599 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.659 -11.628 0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.406 -9.598 0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.950 -9.207 -0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.155 -9.078 1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.356 -11.649 2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.210 -11.190 3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.029 -12.762 2.216 1.00 0.00 H new ATOM 616 N ALA A 56 -2.937 -10.999 -1.677 1.00 0.00 N ATOM 617 CA ALA A 56 -3.293 -10.327 -2.921 1.00 0.00 C ATOM 618 C ALA A 56 -4.752 -9.914 -2.893 1.00 0.00 C ATOM 619 O ALA A 56 -5.124 -8.871 -3.416 1.00 0.00 O ATOM 620 CB ALA A 56 -3.033 -11.225 -4.115 1.00 0.00 C ATOM 0 H ALA A 56 -2.586 -11.950 -1.793 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.670 -9.437 -3.017 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.307 -10.701 -5.031 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.976 -11.488 -4.149 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.630 -12.133 -4.024 1.00 0.00 H new ATOM 626 N TYR A 57 -5.571 -10.745 -2.280 1.00 0.00 N ATOM 627 CA TYR A 57 -6.992 -10.481 -2.205 1.00 0.00 C ATOM 628 C TYR A 57 -7.320 -9.490 -1.088 1.00 0.00 C ATOM 629 O TYR A 57 -8.201 -8.644 -1.236 1.00 0.00 O ATOM 630 CB TYR A 57 -7.746 -11.790 -2.044 1.00 0.00 C ATOM 631 CG TYR A 57 -7.974 -12.484 -3.370 1.00 0.00 C ATOM 632 CD1 TYR A 57 -7.029 -12.400 -4.393 1.00 0.00 C ATOM 633 CD2 TYR A 57 -9.137 -13.204 -3.611 1.00 0.00 C ATOM 634 CE1 TYR A 57 -7.237 -13.016 -5.605 1.00 0.00 C ATOM 635 CE2 TYR A 57 -9.351 -13.824 -4.827 1.00 0.00 C ATOM 636 CZ TYR A 57 -8.398 -13.725 -5.822 1.00 0.00 C ATOM 637 OH TYR A 57 -8.604 -14.344 -7.035 1.00 0.00 O ATOM 0 H TYR A 57 -5.275 -11.609 -1.826 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.313 -10.012 -3.135 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.187 -12.451 -1.381 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.707 -11.598 -1.566 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.119 -11.842 -4.230 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -9.885 -13.280 -2.836 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.493 -12.944 -6.384 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -10.259 -14.383 -4.999 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.470 -14.802 -7.025 1.00 0.00 H new ATOM 647 N ALA A 58 -6.601 -9.599 0.028 1.00 0.00 N ATOM 648 CA ALA A 58 -6.774 -8.695 1.163 1.00 0.00 C ATOM 649 C ALA A 58 -6.276 -7.298 0.834 1.00 0.00 C ATOM 650 O ALA A 58 -6.938 -6.296 1.106 1.00 0.00 O ATOM 651 CB ALA A 58 -6.012 -9.224 2.366 1.00 0.00 C ATOM 0 H ALA A 58 -5.886 -10.312 0.170 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.839 -8.642 1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.145 -8.545 3.208 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.391 -10.211 2.632 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.952 -9.296 2.122 1.00 0.00 H new ATOM 657 N LEU A 59 -5.098 -7.262 0.248 1.00 0.00 N ATOM 658 CA LEU A 59 -4.374 -6.033 0.003 1.00 0.00 C ATOM 659 C LEU A 59 -4.758 -5.414 -1.331 1.00 0.00 C ATOM 660 O LEU A 59 -4.983 -4.207 -1.435 1.00 0.00 O ATOM 661 CB LEU A 59 -2.877 -6.353 0.035 1.00 0.00 C ATOM 662 CG LEU A 59 -2.065 -5.576 1.050 1.00 0.00 C ATOM 663 CD1 LEU A 59 -2.840 -5.451 2.343 1.00 0.00 C ATOM 664 CD2 LEU A 59 -0.757 -6.278 1.293 1.00 0.00 C ATOM 0 H LEU A 59 -4.610 -8.097 -0.076 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.626 -5.304 0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.755 -7.417 0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.462 -6.166 -0.956 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.866 -4.576 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.250 -4.891 3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.777 -4.927 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.052 -6.445 2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.174 -5.718 2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.948 -7.281 1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.200 -6.344 0.358 1.00 0.00 H new ATOM 676 N GLY A 60 -4.870 -6.258 -2.335 1.00 0.00 N ATOM 677 CA GLY A 60 -5.055 -5.788 -3.685 1.00 0.00 C ATOM 678 C GLY A 60 -3.849 -6.132 -4.521 1.00 0.00 C ATOM 679 O GLY A 60 -2.731 -5.753 -4.179 1.00 0.00 O ATOM 0 H GLY A 60 -4.836 -7.273 -2.238 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.948 -6.240 -4.117 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.212 -4.709 -3.685 1.00 0.00 H new ATOM 683 N THR A 61 -4.070 -6.873 -5.593 1.00 0.00 N ATOM 684 CA THR A 61 -2.990 -7.347 -6.434 1.00 0.00 C ATOM 685 C THR A 61 -2.104 -6.198 -6.923 1.00 0.00 C ATOM 686 O THR A 61 -2.589 -5.134 -7.324 1.00 0.00 O ATOM 687 CB THR A 61 -3.551 -8.156 -7.613 1.00 0.00 C ATOM 688 OG1 THR A 61 -4.635 -7.446 -8.226 1.00 0.00 O ATOM 689 CG2 THR A 61 -4.041 -9.516 -7.127 1.00 0.00 C ATOM 0 H THR A 61 -4.999 -7.161 -5.902 1.00 0.00 H new ATOM 0 HA THR A 61 -2.358 -8.001 -5.833 1.00 0.00 H new ATOM 0 HB THR A 61 -2.758 -8.301 -8.346 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.985 -7.969 -8.977 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.437 -10.083 -7.970 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.211 -10.063 -6.680 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.826 -9.376 -6.383 1.00 0.00 H new ATOM 697 N PRO A 62 -0.781 -6.417 -6.876 1.00 0.00 N ATOM 698 CA PRO A 62 0.229 -5.385 -7.144 1.00 0.00 C ATOM 699 C PRO A 62 0.196 -4.871 -8.578 1.00 0.00 C ATOM 700 O PRO A 62 -0.384 -5.492 -9.469 1.00 0.00 O ATOM 701 CB PRO A 62 1.560 -6.099 -6.867 1.00 0.00 C ATOM 702 CG PRO A 62 1.204 -7.318 -6.089 1.00 0.00 C ATOM 703 CD PRO A 62 -0.164 -7.707 -6.551 1.00 0.00 C ATOM 0 HA PRO A 62 0.061 -4.501 -6.528 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.066 -6.361 -7.796 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.239 -5.459 -6.304 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.920 -8.120 -6.268 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.213 -7.116 -5.018 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.125 -8.366 -7.419 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.717 -8.235 -5.774 1.00 0.00 H new ATOM 711 N LEU A 63 0.865 -3.737 -8.780 1.00 0.00 N ATOM 712 CA LEU A 63 0.853 -3.005 -10.048 1.00 0.00 C ATOM 713 C LEU A 63 1.438 -3.836 -11.175 1.00 0.00 C ATOM 714 O LEU A 63 1.152 -3.603 -12.345 1.00 0.00 O ATOM 715 CB LEU A 63 1.669 -1.731 -9.902 1.00 0.00 C ATOM 716 CG LEU A 63 1.404 -0.945 -8.624 1.00 0.00 C ATOM 717 CD1 LEU A 63 2.712 -0.411 -8.088 1.00 0.00 C ATOM 718 CD2 LEU A 63 0.418 0.181 -8.886 1.00 0.00 C ATOM 0 H LEU A 63 1.437 -3.295 -8.061 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.183 -2.772 -10.292 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.728 -1.988 -9.941 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.466 -1.086 -10.757 1.00 0.00 H new ATOM 0 HG LEU A 63 0.960 -1.603 -7.877 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.528 0.152 -7.173 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.384 -1.242 -7.873 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.170 0.243 -8.831 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.241 0.732 -7.962 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.828 0.856 -9.638 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.523 -0.236 -9.246 1.00 0.00 H new ATOM 730 N MET A 64 2.286 -4.786 -10.807 1.00 0.00 N ATOM 731 CA MET A 64 2.857 -5.732 -11.771 1.00 0.00 C ATOM 732 C MET A 64 1.795 -6.690 -12.327 1.00 0.00 C ATOM 733 O MET A 64 2.099 -7.556 -13.145 1.00 0.00 O ATOM 734 CB MET A 64 4.008 -6.508 -11.130 1.00 0.00 C ATOM 735 CG MET A 64 3.655 -7.158 -9.802 1.00 0.00 C ATOM 736 SD MET A 64 5.110 -7.661 -8.878 1.00 0.00 S ATOM 737 CE MET A 64 4.316 -8.486 -7.513 1.00 0.00 C ATOM 0 H MET A 64 2.598 -4.927 -9.846 1.00 0.00 H new ATOM 0 HA MET A 64 3.244 -5.158 -12.613 1.00 0.00 H new ATOM 0 HB2 MET A 64 4.342 -7.280 -11.823 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.849 -5.831 -10.979 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.071 -6.460 -9.203 1.00 0.00 H new ATOM 0 HG3 MET A 64 3.024 -8.028 -9.983 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.863 -8.277 -6.594 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.292 -8.125 -7.416 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.306 -9.561 -7.693 1.00 0.00 H new ATOM 747 N SER A 65 0.561 -6.538 -11.843 1.00 0.00 N ATOM 748 CA SER A 65 -0.616 -7.211 -12.403 1.00 0.00 C ATOM 749 C SER A 65 -0.629 -8.713 -12.104 1.00 0.00 C ATOM 750 O SER A 65 -1.495 -9.442 -12.590 1.00 0.00 O ATOM 751 CB SER A 65 -0.707 -6.954 -13.914 1.00 0.00 C ATOM 752 OG SER A 65 -1.981 -7.306 -14.429 1.00 0.00 O ATOM 0 H SER A 65 0.347 -5.940 -11.045 1.00 0.00 H new ATOM 0 HA SER A 65 -1.494 -6.787 -11.916 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.510 -5.901 -14.117 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.065 -7.527 -14.428 1.00 0.00 H new ATOM 0 HG SER A 65 -2.291 -8.131 -14.000 1.00 0.00 H new ATOM 758 N ASP A 66 0.313 -9.167 -11.292 1.00 0.00 N ATOM 759 CA ASP A 66 0.357 -10.559 -10.869 1.00 0.00 C ATOM 760 C ASP A 66 1.291 -10.730 -9.687 1.00 0.00 C ATOM 761 O ASP A 66 2.505 -10.562 -9.792 1.00 0.00 O ATOM 762 CB ASP A 66 0.771 -11.497 -11.999 1.00 0.00 C ATOM 763 CG ASP A 66 0.920 -12.928 -11.521 1.00 0.00 C ATOM 764 OD1 ASP A 66 -0.088 -13.518 -11.069 1.00 0.00 O ATOM 765 OD2 ASP A 66 2.039 -13.468 -11.594 1.00 0.00 O ATOM 0 H ASP A 66 1.061 -8.588 -10.911 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.656 -10.829 -10.572 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.028 -11.456 -12.795 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.715 -11.157 -12.426 1.00 0.00 H new ATOM 770 N PRO A 67 0.706 -11.027 -8.537 1.00 0.00 N ATOM 771 CA PRO A 67 1.443 -11.236 -7.292 1.00 0.00 C ATOM 772 C PRO A 67 2.199 -12.568 -7.245 1.00 0.00 C ATOM 773 O PRO A 67 3.202 -12.699 -6.539 1.00 0.00 O ATOM 774 CB PRO A 67 0.331 -11.224 -6.241 1.00 0.00 C ATOM 775 CG PRO A 67 -0.890 -11.682 -6.967 1.00 0.00 C ATOM 776 CD PRO A 67 -0.749 -11.150 -8.362 1.00 0.00 C ATOM 0 HA PRO A 67 2.217 -10.482 -7.151 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.567 -11.887 -5.409 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.192 -10.226 -5.825 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.962 -12.770 -6.967 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.795 -11.303 -6.492 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.186 -11.827 -9.096 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.250 -10.189 -8.478 1.00 0.00 H new ATOM 784 N PHE A 68 1.737 -13.543 -8.016 1.00 0.00 N ATOM 785 CA PHE A 68 2.243 -14.906 -7.914 1.00 0.00 C ATOM 786 C PHE A 68 3.563 -15.106 -8.651 1.00 0.00 C ATOM 787 O PHE A 68 4.169 -16.173 -8.558 1.00 0.00 O ATOM 788 CB PHE A 68 1.200 -15.882 -8.454 1.00 0.00 C ATOM 789 CG PHE A 68 0.280 -16.435 -7.402 1.00 0.00 C ATOM 790 CD1 PHE A 68 -0.650 -15.624 -6.772 1.00 0.00 C ATOM 791 CD2 PHE A 68 0.349 -17.772 -7.041 1.00 0.00 C ATOM 792 CE1 PHE A 68 -1.494 -16.135 -5.806 1.00 0.00 C ATOM 793 CE2 PHE A 68 -0.493 -18.288 -6.076 1.00 0.00 C ATOM 794 CZ PHE A 68 -1.415 -17.468 -5.457 1.00 0.00 C ATOM 0 H PHE A 68 1.011 -13.415 -8.721 1.00 0.00 H new ATOM 0 HA PHE A 68 2.435 -15.098 -6.858 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.604 -15.377 -9.215 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.711 -16.709 -8.946 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.716 -14.580 -7.040 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.070 -18.418 -7.520 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.215 -15.492 -5.324 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.430 -19.332 -5.806 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.074 -17.869 -4.701 1.00 0.00 H new ATOM 804 N GLY A 69 4.015 -14.090 -9.366 1.00 0.00 N ATOM 805 CA GLY A 69 5.222 -14.233 -10.158 1.00 0.00 C ATOM 806 C GLY A 69 6.481 -13.964 -9.360 1.00 0.00 C ATOM 807 O GLY A 69 7.574 -14.371 -9.751 1.00 0.00 O ATOM 0 H GLY A 69 3.573 -13.172 -9.414 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.265 -15.242 -10.568 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.180 -13.547 -11.004 1.00 0.00 H new ATOM 811 N THR A 70 6.330 -13.288 -8.234 1.00 0.00 N ATOM 812 CA THR A 70 7.475 -12.852 -7.456 1.00 0.00 C ATOM 813 C THR A 70 7.394 -13.343 -6.011 1.00 0.00 C ATOM 814 O THR A 70 6.398 -13.939 -5.590 1.00 0.00 O ATOM 815 CB THR A 70 7.563 -11.316 -7.455 1.00 0.00 C ATOM 816 OG1 THR A 70 8.819 -10.884 -6.916 1.00 0.00 O ATOM 817 CG2 THR A 70 6.440 -10.739 -6.630 1.00 0.00 C ATOM 0 H THR A 70 5.426 -13.030 -7.839 1.00 0.00 H new ATOM 0 HA THR A 70 8.364 -13.279 -7.921 1.00 0.00 H new ATOM 0 HB THR A 70 7.480 -10.965 -8.484 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.710 -10.004 -6.498 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.508 -9.651 -6.633 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.483 -11.044 -7.054 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.516 -11.104 -5.606 1.00 0.00 H new ATOM 825 N ASN A 71 8.454 -13.066 -5.265 1.00 0.00 N ATOM 826 CA ASN A 71 8.527 -13.364 -3.841 1.00 0.00 C ATOM 827 C ASN A 71 8.678 -12.068 -3.053 1.00 0.00 C ATOM 828 O ASN A 71 8.774 -12.081 -1.824 1.00 0.00 O ATOM 829 CB ASN A 71 9.712 -14.290 -3.539 1.00 0.00 C ATOM 830 CG ASN A 71 9.474 -15.725 -3.971 1.00 0.00 C ATOM 831 OD1 ASN A 71 9.679 -16.082 -5.131 1.00 0.00 O ATOM 832 ND2 ASN A 71 9.074 -16.570 -3.032 1.00 0.00 N ATOM 0 H ASN A 71 9.296 -12.624 -5.634 1.00 0.00 H new ATOM 0 HA ASN A 71 7.607 -13.869 -3.546 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.600 -13.908 -4.042 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.918 -14.269 -2.469 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.926 -17.553 -3.260 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.914 -16.237 -2.081 1.00 0.00 H new ATOM 839 N THR A 72 8.707 -10.950 -3.776 1.00 0.00 N ATOM 840 CA THR A 72 8.877 -9.642 -3.175 1.00 0.00 C ATOM 841 C THR A 72 7.794 -8.676 -3.661 1.00 0.00 C ATOM 842 O THR A 72 7.764 -8.303 -4.834 1.00 0.00 O ATOM 843 CB THR A 72 10.256 -9.068 -3.532 1.00 0.00 C ATOM 844 OG1 THR A 72 11.261 -10.084 -3.405 1.00 0.00 O ATOM 845 CG2 THR A 72 10.598 -7.910 -2.624 1.00 0.00 C ATOM 0 H THR A 72 8.613 -10.932 -4.792 1.00 0.00 H new ATOM 0 HA THR A 72 8.795 -9.757 -2.094 1.00 0.00 H new ATOM 0 HB THR A 72 10.224 -8.715 -4.563 1.00 0.00 H new ATOM 0 HG1 THR A 72 12.136 -9.709 -3.636 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.578 -7.515 -2.891 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.849 -7.126 -2.736 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.614 -8.252 -1.589 1.00 0.00 H new ATOM 853 N TRP A 73 6.906 -8.285 -2.762 1.00 0.00 N ATOM 854 CA TRP A 73 5.805 -7.396 -3.113 1.00 0.00 C ATOM 855 C TRP A 73 6.076 -5.986 -2.614 1.00 0.00 C ATOM 856 O TRP A 73 6.556 -5.806 -1.495 1.00 0.00 O ATOM 857 CB TRP A 73 4.492 -7.923 -2.524 1.00 0.00 C ATOM 858 CG TRP A 73 4.059 -9.235 -3.112 1.00 0.00 C ATOM 859 CD1 TRP A 73 4.723 -9.974 -4.045 1.00 0.00 C ATOM 860 CD2 TRP A 73 2.863 -9.957 -2.812 1.00 0.00 C ATOM 861 NE1 TRP A 73 4.021 -11.112 -4.337 1.00 0.00 N ATOM 862 CE2 TRP A 73 2.876 -11.126 -3.593 1.00 0.00 C ATOM 863 CE3 TRP A 73 1.784 -9.733 -1.956 1.00 0.00 C ATOM 864 CZ2 TRP A 73 1.851 -12.063 -3.543 1.00 0.00 C ATOM 865 CZ3 TRP A 73 0.770 -10.665 -1.911 1.00 0.00 C ATOM 866 CH2 TRP A 73 0.811 -11.816 -2.699 1.00 0.00 C ATOM 0 H TRP A 73 6.924 -8.568 -1.782 1.00 0.00 H new ATOM 0 HA TRP A 73 5.718 -7.366 -4.199 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.606 -8.036 -1.446 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.707 -7.184 -2.686 1.00 0.00 H new ATOM 0 HD1 TRP A 73 5.668 -9.701 -4.490 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.306 -11.832 -5.001 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.744 -8.846 -1.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 1.878 -12.955 -4.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.072 -10.502 -1.254 1.00 0.00 H new ATOM 0 HH2 TRP A 73 0.000 -12.527 -2.638 1.00 0.00 H new ATOM 877 N PHE A 74 5.783 -4.991 -3.446 1.00 0.00 N ATOM 878 CA PHE A 74 6.059 -3.604 -3.089 1.00 0.00 C ATOM 879 C PHE A 74 4.767 -2.812 -2.912 1.00 0.00 C ATOM 880 O PHE A 74 4.045 -2.543 -3.875 1.00 0.00 O ATOM 881 CB PHE A 74 6.935 -2.928 -4.151 1.00 0.00 C ATOM 882 CG PHE A 74 8.131 -3.740 -4.564 1.00 0.00 C ATOM 883 CD1 PHE A 74 9.176 -3.966 -3.682 1.00 0.00 C ATOM 884 CD2 PHE A 74 8.204 -4.280 -5.837 1.00 0.00 C ATOM 885 CE1 PHE A 74 10.271 -4.716 -4.065 1.00 0.00 C ATOM 886 CE2 PHE A 74 9.296 -5.030 -6.226 1.00 0.00 C ATOM 887 CZ PHE A 74 10.332 -5.249 -5.339 1.00 0.00 C ATOM 0 H PHE A 74 5.358 -5.118 -4.365 1.00 0.00 H new ATOM 0 HA PHE A 74 6.596 -3.614 -2.140 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.327 -2.722 -5.032 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.276 -1.966 -3.767 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.134 -3.552 -2.686 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.397 -4.112 -6.534 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.079 -4.886 -3.369 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.340 -5.445 -7.222 1.00 0.00 H new ATOM 0 HZ PHE A 74 11.188 -5.835 -5.640 1.00 0.00 H new ATOM 897 N TYR A 75 4.484 -2.457 -1.669 1.00 0.00 N ATOM 898 CA TYR A 75 3.353 -1.605 -1.334 1.00 0.00 C ATOM 899 C TYR A 75 3.865 -0.422 -0.520 1.00 0.00 C ATOM 900 O TYR A 75 5.050 -0.368 -0.210 1.00 0.00 O ATOM 901 CB TYR A 75 2.316 -2.384 -0.529 1.00 0.00 C ATOM 902 CG TYR A 75 1.845 -3.655 -1.183 1.00 0.00 C ATOM 903 CD1 TYR A 75 1.108 -3.632 -2.360 1.00 0.00 C ATOM 904 CD2 TYR A 75 2.138 -4.881 -0.612 1.00 0.00 C ATOM 905 CE1 TYR A 75 0.670 -4.800 -2.948 1.00 0.00 C ATOM 906 CE2 TYR A 75 1.707 -6.057 -1.194 1.00 0.00 C ATOM 907 CZ TYR A 75 0.974 -6.010 -2.365 1.00 0.00 C ATOM 908 OH TYR A 75 0.536 -7.176 -2.944 1.00 0.00 O ATOM 0 H TYR A 75 5.033 -2.752 -0.862 1.00 0.00 H new ATOM 0 HA TYR A 75 2.876 -1.253 -2.249 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.739 -2.627 0.446 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.454 -1.741 -0.351 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.874 -2.684 -2.822 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.712 -4.919 0.302 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.092 -4.766 -3.860 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.941 -7.007 -0.737 1.00 0.00 H new ATOM 0 HH TYR A 75 1.202 -7.881 -2.804 1.00 0.00 H new ATOM 918 N VAL A 76 3.005 0.526 -0.181 1.00 0.00 N ATOM 919 CA VAL A 76 3.457 1.697 0.557 1.00 0.00 C ATOM 920 C VAL A 76 2.408 2.117 1.595 1.00 0.00 C ATOM 921 O VAL A 76 1.370 1.473 1.731 1.00 0.00 O ATOM 922 CB VAL A 76 3.792 2.858 -0.418 1.00 0.00 C ATOM 923 CG1 VAL A 76 2.545 3.622 -0.827 1.00 0.00 C ATOM 924 CG2 VAL A 76 4.851 3.795 0.153 1.00 0.00 C ATOM 0 H VAL A 76 2.009 0.511 -0.399 1.00 0.00 H new ATOM 0 HA VAL A 76 4.370 1.442 1.095 1.00 0.00 H new ATOM 0 HB VAL A 76 4.212 2.405 -1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.819 4.427 -1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.850 2.945 -1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.070 4.043 0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.055 4.592 -0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.489 4.228 1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.767 3.236 0.344 1.00 0.00 H new ATOM 934 N PHE A 77 2.699 3.176 2.338 1.00 0.00 N ATOM 935 CA PHE A 77 1.819 3.660 3.394 1.00 0.00 C ATOM 936 C PHE A 77 0.787 4.644 2.858 1.00 0.00 C ATOM 937 O PHE A 77 0.650 4.811 1.648 1.00 0.00 O ATOM 938 CB PHE A 77 2.636 4.316 4.512 1.00 0.00 C ATOM 939 CG PHE A 77 3.037 3.367 5.605 1.00 0.00 C ATOM 940 CD1 PHE A 77 2.986 1.998 5.408 1.00 0.00 C ATOM 941 CD2 PHE A 77 3.440 3.848 6.842 1.00 0.00 C ATOM 942 CE1 PHE A 77 3.333 1.126 6.416 1.00 0.00 C ATOM 943 CE2 PHE A 77 3.786 2.978 7.858 1.00 0.00 C ATOM 944 CZ PHE A 77 3.733 1.614 7.644 1.00 0.00 C ATOM 0 H PHE A 77 3.552 3.724 2.226 1.00 0.00 H new ATOM 0 HA PHE A 77 1.286 2.799 3.797 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.534 4.760 4.081 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.054 5.130 4.945 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.670 1.609 4.452 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.484 4.914 7.013 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.292 0.060 6.246 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.097 3.363 8.818 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.004 0.931 8.436 1.00 0.00 H new ATOM 1137 N THR A 90 7.462 1.788 2.781 1.00 0.00 N ATOM 1138 CA THR A 90 7.122 0.770 1.816 1.00 0.00 C ATOM 1139 C THR A 90 6.945 -0.579 2.491 1.00 0.00 C ATOM 1140 O THR A 90 7.788 -1.003 3.289 1.00 0.00 O ATOM 1141 CB THR A 90 8.203 0.662 0.725 1.00 0.00 C ATOM 1142 OG1 THR A 90 9.496 0.961 1.272 1.00 0.00 O ATOM 1143 CG2 THR A 90 7.898 1.584 -0.430 1.00 0.00 C ATOM 0 HA THR A 90 6.180 1.060 1.352 1.00 0.00 H new ATOM 0 HB THR A 90 8.207 -0.362 0.352 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.389 1.430 2.126 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.676 1.489 -1.187 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.935 1.317 -0.864 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.862 2.614 -0.074 1.00 0.00 H new ATOM 1151 N LEU A 91 5.845 -1.238 2.175 1.00 0.00 N ATOM 1152 CA LEU A 91 5.584 -2.570 2.673 1.00 0.00 C ATOM 1153 C LEU A 91 6.139 -3.577 1.685 1.00 0.00 C ATOM 1154 O LEU A 91 5.610 -3.739 0.587 1.00 0.00 O ATOM 1155 CB LEU A 91 4.086 -2.819 2.852 1.00 0.00 C ATOM 1156 CG LEU A 91 3.753 -4.115 3.586 1.00 0.00 C ATOM 1157 CD1 LEU A 91 3.934 -3.933 5.074 1.00 0.00 C ATOM 1158 CD2 LEU A 91 2.349 -4.607 3.292 1.00 0.00 C ATOM 0 H LEU A 91 5.114 -0.865 1.570 1.00 0.00 H new ATOM 0 HA LEU A 91 6.063 -2.674 3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.652 -1.982 3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.612 -2.838 1.871 1.00 0.00 H new ATOM 0 HG LEU A 91 4.445 -4.874 3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.693 -4.864 5.586 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.968 -3.660 5.284 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.271 -3.143 5.427 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.165 -5.531 3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.627 -3.852 3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.245 -4.792 2.223 1.00 0.00 H new ATOM 1170 N THR A 92 7.215 -4.230 2.065 1.00 0.00 N ATOM 1171 CA THR A 92 7.846 -5.207 1.211 1.00 0.00 C ATOM 1172 C THR A 92 7.486 -6.595 1.702 1.00 0.00 C ATOM 1173 O THR A 92 7.990 -7.055 2.721 1.00 0.00 O ATOM 1174 CB THR A 92 9.375 -5.034 1.203 1.00 0.00 C ATOM 1175 OG1 THR A 92 9.705 -3.658 0.964 1.00 0.00 O ATOM 1176 CG2 THR A 92 10.006 -5.908 0.135 1.00 0.00 C ATOM 0 H THR A 92 7.673 -4.099 2.967 1.00 0.00 H new ATOM 0 HA THR A 92 7.489 -5.066 0.191 1.00 0.00 H new ATOM 0 HB THR A 92 9.766 -5.338 2.174 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.479 -3.606 0.365 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.087 -5.772 0.145 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.770 -6.953 0.334 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.614 -5.628 -0.843 1.00 0.00 H new ATOM 1184 N LEU A 93 6.593 -7.255 1.005 1.00 0.00 N ATOM 1185 CA LEU A 93 6.105 -8.528 1.484 1.00 0.00 C ATOM 1186 C LEU A 93 6.985 -9.655 0.981 1.00 0.00 C ATOM 1187 O LEU A 93 7.280 -9.744 -0.213 1.00 0.00 O ATOM 1188 CB LEU A 93 4.650 -8.757 1.090 1.00 0.00 C ATOM 1189 CG LEU A 93 3.866 -9.518 2.128 1.00 0.00 C ATOM 1190 CD1 LEU A 93 3.773 -8.691 3.390 1.00 0.00 C ATOM 1191 CD2 LEU A 93 2.494 -9.869 1.627 1.00 0.00 C ATOM 0 H LEU A 93 6.195 -6.941 0.120 1.00 0.00 H new ATOM 0 HA LEU A 93 6.148 -8.513 2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.171 -7.793 0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.617 -9.303 0.147 1.00 0.00 H new ATOM 0 HG LEU A 93 4.385 -10.452 2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.206 -9.239 4.143 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.775 -8.488 3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.270 -7.749 3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.954 -10.417 2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.951 -8.956 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.580 -10.489 0.735 1.00 0.00 H new ATOM 1203 N THR A 94 7.425 -10.499 1.904 1.00 0.00 N ATOM 1204 CA THR A 94 8.334 -11.561 1.598 1.00 0.00 C ATOM 1205 C THR A 94 7.686 -12.925 1.836 1.00 0.00 C ATOM 1206 O THR A 94 7.210 -13.219 2.945 1.00 0.00 O ATOM 1207 CB THR A 94 9.591 -11.413 2.466 1.00 0.00 C ATOM 1208 OG1 THR A 94 10.335 -10.252 2.071 1.00 0.00 O ATOM 1209 CG2 THR A 94 10.443 -12.648 2.368 1.00 0.00 C ATOM 0 H THR A 94 7.152 -10.454 2.886 1.00 0.00 H new ATOM 0 HA THR A 94 8.605 -11.501 0.544 1.00 0.00 H new ATOM 0 HB THR A 94 9.286 -11.289 3.505 1.00 0.00 H new ATOM 0 HG1 THR A 94 11.133 -10.168 2.633 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.331 -12.528 2.989 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.873 -13.511 2.712 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.743 -12.801 1.332 1.00 0.00 H new ATOM 1217 N PHE A 95 7.665 -13.741 0.787 1.00 0.00 N ATOM 1218 CA PHE A 95 7.096 -15.082 0.854 1.00 0.00 C ATOM 1219 C PHE A 95 8.188 -16.130 0.706 1.00 0.00 C ATOM 1220 O PHE A 95 9.071 -15.982 -0.142 1.00 0.00 O ATOM 1221 CB PHE A 95 6.045 -15.292 -0.241 1.00 0.00 C ATOM 1222 CG PHE A 95 4.809 -14.472 -0.061 1.00 0.00 C ATOM 1223 CD1 PHE A 95 4.729 -13.182 -0.553 1.00 0.00 C ATOM 1224 CD2 PHE A 95 3.721 -14.998 0.604 1.00 0.00 C ATOM 1225 CE1 PHE A 95 3.584 -12.437 -0.377 1.00 0.00 C ATOM 1226 CE2 PHE A 95 2.574 -14.263 0.782 1.00 0.00 C ATOM 1227 CZ PHE A 95 2.504 -12.982 0.293 1.00 0.00 C ATOM 0 H PHE A 95 8.040 -13.493 -0.129 1.00 0.00 H new ATOM 0 HA PHE A 95 6.617 -15.188 1.827 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.489 -15.054 -1.207 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.769 -16.346 -0.268 1.00 0.00 H new ATOM 0 HD1 PHE A 95 5.570 -12.756 -1.079 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.772 -16.005 0.991 1.00 0.00 H new ATOM 0 HE1 PHE A 95 3.530 -11.429 -0.761 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.731 -14.691 1.304 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.605 -12.400 0.432 1.00 0.00 H new ATOM 1237 N ASN A 96 8.124 -17.176 1.519 1.00 0.00 N ATOM 1238 CA ASN A 96 9.175 -18.200 1.545 1.00 0.00 C ATOM 1239 C ASN A 96 9.401 -18.846 0.176 1.00 0.00 C ATOM 1240 O ASN A 96 10.309 -18.451 -0.562 1.00 0.00 O ATOM 1241 CB ASN A 96 8.889 -19.271 2.615 1.00 0.00 C ATOM 1242 CG ASN A 96 7.434 -19.714 2.702 1.00 0.00 C ATOM 1243 OD1 ASN A 96 6.707 -19.759 1.703 1.00 0.00 O ATOM 1244 ND2 ASN A 96 7.000 -20.034 3.912 1.00 0.00 N ATOM 0 H ASN A 96 7.358 -17.343 2.171 1.00 0.00 H new ATOM 0 HA ASN A 96 10.099 -17.686 1.812 1.00 0.00 H new ATOM 0 HB2 ASN A 96 9.508 -20.144 2.410 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.195 -18.884 3.587 1.00 0.00 H new ATOM 0 HD21 ASN A 96 6.033 -20.331 4.045 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.633 -19.983 4.711 1.00 0.00 H new ATOM 1251 N SER A 97 8.582 -19.824 -0.161 1.00 0.00 N ATOM 1252 CA SER A 97 8.710 -20.520 -1.426 1.00 0.00 C ATOM 1253 C SER A 97 7.371 -21.123 -1.827 1.00 0.00 C ATOM 1254 O SER A 97 7.031 -21.164 -3.004 1.00 0.00 O ATOM 1255 CB SER A 97 9.783 -21.612 -1.332 1.00 0.00 C ATOM 1256 OG SER A 97 9.991 -22.240 -2.588 1.00 0.00 O ATOM 0 H SER A 97 7.817 -20.155 0.427 1.00 0.00 H new ATOM 0 HA SER A 97 9.016 -19.805 -2.190 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.719 -21.176 -0.981 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.483 -22.357 -0.596 1.00 0.00 H new ATOM 0 HG SER A 97 10.681 -22.930 -2.498 1.00 0.00 H new ATOM 1262 N SER A 98 6.594 -21.564 -0.839 1.00 0.00 N ATOM 1263 CA SER A 98 5.299 -22.146 -1.098 1.00 0.00 C ATOM 1264 C SER A 98 4.269 -21.056 -1.359 1.00 0.00 C ATOM 1265 O SER A 98 3.135 -21.330 -1.753 1.00 0.00 O ATOM 1266 CB SER A 98 4.892 -22.980 0.105 1.00 0.00 C ATOM 1267 OG SER A 98 5.912 -23.905 0.442 1.00 0.00 O ATOM 0 H SER A 98 6.849 -21.524 0.148 1.00 0.00 H new ATOM 0 HA SER A 98 5.351 -22.778 -1.984 1.00 0.00 H new ATOM 0 HB2 SER A 98 4.691 -22.328 0.955 1.00 0.00 H new ATOM 0 HB3 SER A 98 3.967 -23.514 -0.113 1.00 0.00 H new ATOM 0 HG SER A 98 5.632 -24.431 1.220 1.00 0.00 H new ATOM 1273 N GLY A 99 4.682 -19.816 -1.141 1.00 0.00 N ATOM 1274 CA GLY A 99 3.783 -18.698 -1.298 1.00 0.00 C ATOM 1275 C GLY A 99 3.117 -18.356 0.011 1.00 0.00 C ATOM 1276 O GLY A 99 1.973 -17.916 0.046 1.00 0.00 O ATOM 0 H GLY A 99 5.629 -19.566 -0.857 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.333 -17.833 -1.668 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.026 -18.937 -2.045 1.00 0.00 H new ATOM 1280 N VAL A 100 3.849 -18.579 1.090 1.00 0.00 N ATOM 1281 CA VAL A 100 3.346 -18.345 2.429 1.00 0.00 C ATOM 1282 C VAL A 100 4.095 -17.181 3.062 1.00 0.00 C ATOM 1283 O VAL A 100 5.322 -17.099 2.956 1.00 0.00 O ATOM 1284 CB VAL A 100 3.521 -19.604 3.301 1.00 0.00 C ATOM 1285 CG1 VAL A 100 2.798 -19.455 4.631 1.00 0.00 C ATOM 1286 CG2 VAL A 100 3.042 -20.841 2.553 1.00 0.00 C ATOM 0 H VAL A 100 4.807 -18.927 1.060 1.00 0.00 H new ATOM 0 HA VAL A 100 2.284 -18.107 2.365 1.00 0.00 H new ATOM 0 HB VAL A 100 4.583 -19.724 3.516 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.939 -20.358 5.225 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.202 -18.599 5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.734 -19.301 4.451 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.173 -21.721 3.183 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.987 -20.728 2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.622 -20.961 1.638 1.00 0.00 H new ATOM 1296 N LEU A 101 3.357 -16.271 3.685 1.00 0.00 N ATOM 1297 CA LEU A 101 3.945 -15.109 4.317 1.00 0.00 C ATOM 1298 C LEU A 101 4.896 -15.481 5.430 1.00 0.00 C ATOM 1299 O LEU A 101 4.538 -16.203 6.362 1.00 0.00 O ATOM 1300 CB LEU A 101 2.856 -14.211 4.872 1.00 0.00 C ATOM 1301 CG LEU A 101 2.540 -13.006 4.009 1.00 0.00 C ATOM 1302 CD1 LEU A 101 1.517 -12.124 4.690 1.00 0.00 C ATOM 1303 CD2 LEU A 101 3.802 -12.226 3.728 1.00 0.00 C ATOM 0 H LEU A 101 2.341 -16.322 3.763 1.00 0.00 H new ATOM 0 HA LEU A 101 4.514 -14.583 3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.947 -14.799 5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.155 -13.866 5.862 1.00 0.00 H new ATOM 0 HG LEU A 101 2.122 -13.351 3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.301 -11.263 4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.601 -12.691 4.857 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.911 -11.782 5.647 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.565 -11.362 3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.238 -11.889 4.668 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.515 -12.864 3.205 1.00 0.00 H new ATOM 1315 N THR A 102 6.102 -14.966 5.325 1.00 0.00 N ATOM 1316 CA THR A 102 7.098 -15.144 6.361 1.00 0.00 C ATOM 1317 C THR A 102 7.377 -13.819 7.042 1.00 0.00 C ATOM 1318 O THR A 102 7.462 -13.741 8.273 1.00 0.00 O ATOM 1319 CB THR A 102 8.410 -15.725 5.793 1.00 0.00 C ATOM 1320 OG1 THR A 102 9.161 -14.708 5.115 1.00 0.00 O ATOM 1321 CG2 THR A 102 8.093 -16.829 4.810 1.00 0.00 C ATOM 0 H THR A 102 6.419 -14.416 4.526 1.00 0.00 H new ATOM 0 HA THR A 102 6.702 -15.854 7.087 1.00 0.00 H new ATOM 0 HB THR A 102 9.000 -16.115 6.623 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.619 -14.146 5.774 1.00 0.00 H new ATOM 0 HG21 THR A 102 9.021 -17.238 4.410 1.00 0.00 H new ATOM 0 HG22 THR A 102 7.537 -17.618 5.316 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.492 -16.428 3.994 1.00 0.00 H new ATOM 1329 N ASN A 103 7.484 -12.764 6.243 1.00 0.00 N ATOM 1330 CA ASN A 103 7.787 -11.442 6.786 1.00 0.00 C ATOM 1331 C ASN A 103 6.915 -10.372 6.161 1.00 0.00 C ATOM 1332 O ASN A 103 6.473 -10.487 5.015 1.00 0.00 O ATOM 1333 CB ASN A 103 9.246 -11.024 6.550 1.00 0.00 C ATOM 1334 CG ASN A 103 10.291 -11.918 7.197 1.00 0.00 C ATOM 1335 OD1 ASN A 103 10.155 -13.137 7.262 1.00 0.00 O ATOM 1336 ND2 ASN A 103 11.355 -11.301 7.682 1.00 0.00 N ATOM 0 H ASN A 103 7.368 -12.794 5.230 1.00 0.00 H new ATOM 0 HA ASN A 103 7.596 -11.526 7.856 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.430 -10.997 5.476 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.380 -10.008 6.922 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.097 -11.839 8.128 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.433 -10.287 7.610 1.00 0.00 H new ATOM 1343 N ILE A 104 6.690 -9.329 6.936 1.00 0.00 N ATOM 1344 CA ILE A 104 6.086 -8.101 6.445 1.00 0.00 C ATOM 1345 C ILE A 104 7.138 -7.005 6.589 1.00 0.00 C ATOM 1346 O ILE A 104 7.265 -6.403 7.655 1.00 0.00 O ATOM 1347 CB ILE A 104 4.832 -7.678 7.258 1.00 0.00 C ATOM 1348 CG1 ILE A 104 4.020 -8.888 7.751 1.00 0.00 C ATOM 1349 CG2 ILE A 104 3.955 -6.741 6.431 1.00 0.00 C ATOM 1350 CD1 ILE A 104 3.259 -9.631 6.676 1.00 0.00 C ATOM 0 H ILE A 104 6.921 -9.307 7.929 1.00 0.00 H new ATOM 0 HA ILE A 104 5.765 -8.258 5.415 1.00 0.00 H new ATOM 0 HB ILE A 104 5.183 -7.148 8.144 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.699 -9.586 8.242 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.312 -8.547 8.506 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.080 -6.453 7.014 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.524 -5.850 6.166 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.634 -7.250 5.522 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.719 -10.466 7.123 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.550 -8.955 6.199 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.958 -10.009 5.930 1.00 0.00 H new ATOM 1362 N ASP A 105 7.899 -6.761 5.538 1.00 0.00 N ATOM 1363 CA ASP A 105 9.062 -5.883 5.639 1.00 0.00 C ATOM 1364 C ASP A 105 8.656 -4.437 5.409 1.00 0.00 C ATOM 1365 O ASP A 105 8.581 -3.972 4.277 1.00 0.00 O ATOM 1366 CB ASP A 105 10.106 -6.310 4.609 1.00 0.00 C ATOM 1367 CG ASP A 105 11.504 -5.823 4.913 1.00 0.00 C ATOM 1368 OD1 ASP A 105 11.804 -4.642 4.649 1.00 0.00 O ATOM 1369 OD2 ASP A 105 12.324 -6.633 5.398 1.00 0.00 O ATOM 0 H ASP A 105 7.739 -7.152 4.610 1.00 0.00 H new ATOM 0 HA ASP A 105 9.487 -5.962 6.640 1.00 0.00 H new ATOM 0 HB2 ASP A 105 10.117 -7.398 4.547 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.808 -5.938 3.629 1.00 0.00 H new ATOM 1374 N ASN A 106 8.403 -3.729 6.490 1.00 0.00 N ATOM 1375 CA ASN A 106 7.936 -2.363 6.414 1.00 0.00 C ATOM 1376 C ASN A 106 8.981 -1.389 6.933 1.00 0.00 C ATOM 1377 O ASN A 106 9.315 -1.365 8.118 1.00 0.00 O ATOM 1378 CB ASN A 106 6.611 -2.204 7.167 1.00 0.00 C ATOM 1379 CG ASN A 106 6.654 -2.630 8.630 1.00 0.00 C ATOM 1380 OD1 ASN A 106 7.435 -3.493 9.034 1.00 0.00 O ATOM 1381 ND2 ASN A 106 5.795 -2.025 9.440 1.00 0.00 N ATOM 0 H ASN A 106 8.515 -4.083 7.440 1.00 0.00 H new ATOM 0 HA ASN A 106 7.763 -2.126 5.364 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.303 -1.160 7.116 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.846 -2.788 6.655 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.768 -2.270 10.430 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.162 -1.314 9.073 1.00 0.00 H new ATOM 1388 N LYS A 107 9.517 -0.615 6.015 1.00 0.00 N ATOM 1389 CA LYS A 107 10.491 0.417 6.330 1.00 0.00 C ATOM 1390 C LYS A 107 10.306 1.579 5.350 1.00 0.00 C ATOM 1391 O LYS A 107 9.565 1.433 4.379 1.00 0.00 O ATOM 1392 CB LYS A 107 11.909 -0.163 6.259 1.00 0.00 C ATOM 1393 CG LYS A 107 12.434 -0.354 4.851 1.00 0.00 C ATOM 1394 CD LYS A 107 11.808 -1.564 4.173 1.00 0.00 C ATOM 1395 CE LYS A 107 12.575 -1.985 2.929 1.00 0.00 C ATOM 1396 NZ LYS A 107 12.081 -3.285 2.403 1.00 0.00 N ATOM 0 H LYS A 107 9.291 -0.681 5.023 1.00 0.00 H new ATOM 0 HA LYS A 107 10.341 0.787 7.344 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.587 0.497 6.801 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.922 -1.124 6.773 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.228 0.540 4.262 1.00 0.00 H new ATOM 0 HG3 LYS A 107 13.517 -0.474 4.880 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.775 -2.396 4.876 1.00 0.00 H new ATOM 0 HD3 LYS A 107 10.777 -1.334 3.902 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.475 -1.218 2.161 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.636 -2.065 3.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 12.717 -3.620 1.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 12.056 -3.984 3.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.123 -3.162 2.016 1.00 0.00 H new