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 92 THR OG1 : rot -130:sc= 0.891 USER MOD Set 1.2: A 107 LYS NZ :NH3+ -170:sc= 1.06 (180deg=0) USER MOD Set 2.1: A 39 THR OG1 : rot -61:sc= 1.27 USER MOD Set 2.2: A 41 ASN : amide:sc= -0.0459 X(o=1.2,f=1.2) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -144:sc= 0.969 (180deg=0.238) USER MOD Single : A 50 MET CE :methyl -132:sc= -8.13! (180deg=-12.1!) USER MOD Single : A 51 THR OG1 : rot -137:sc= -1.13 USER MOD Single : A 52 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.2) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc=-0.00844 X(o=-0.0084,f=-0.19) 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 -138:sc= -0.207 (180deg=-1.96!) USER MOD Single : A 65 SER OG : rot -39:sc= 0.181 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0121 USER MOD Single : A 71 ASN : amide:sc=-0.00329 K(o=-0.0033,f=-4.3!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 162:sc= -0.541! USER MOD Single : A 90 THR OG1 : rot -17:sc= 0.432 USER MOD Single : A 94 THR OG1 : rot 113:sc= 1.26 USER MOD Single : A 96 ASN : amide:sc= -1.77! C(o=-1.8!,f=-9.5!) 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 102 THR OG1 : rot 170:sc= -0.873 USER MOD Single : A 103 ASN : amide:sc= -0.268 K(o=-0.27,f=-2.1) USER MOD Single : A 106 ASN : amide:sc= -0.0617 X(o=-0.062,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 334 N LEU A 38 -1.985 0.921 -2.232 1.00 0.00 N ATOM 335 CA LEU A 38 -2.040 0.429 -0.866 1.00 0.00 C ATOM 336 C LEU A 38 -1.315 1.380 0.074 1.00 0.00 C ATOM 337 O LEU A 38 -0.294 1.964 -0.284 1.00 0.00 O ATOM 338 CB LEU A 38 -1.418 -0.958 -0.764 1.00 0.00 C ATOM 339 CG LEU A 38 -1.708 -1.700 0.534 1.00 0.00 C ATOM 340 CD1 LEU A 38 -2.904 -2.613 0.350 1.00 0.00 C ATOM 341 CD2 LEU A 38 -0.497 -2.482 1.002 1.00 0.00 C ATOM 0 HA LEU A 38 -3.089 0.368 -0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.775 -1.562 -1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.338 -0.865 -0.878 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.941 -0.967 1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.106 -3.141 1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.775 -2.020 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.692 -3.336 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.735 -3.001 1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.218 -3.211 0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.334 -1.798 1.172 1.00 0.00 H new ATOM 353 N THR A 39 -1.864 1.531 1.264 1.00 0.00 N ATOM 354 CA THR A 39 -1.284 2.384 2.286 1.00 0.00 C ATOM 355 C THR A 39 -1.099 1.624 3.596 1.00 0.00 C ATOM 356 O THR A 39 -1.339 0.416 3.660 1.00 0.00 O ATOM 357 CB THR A 39 -2.150 3.631 2.548 1.00 0.00 C ATOM 358 OG1 THR A 39 -3.397 3.253 3.150 1.00 0.00 O ATOM 359 CG2 THR A 39 -2.414 4.372 1.255 1.00 0.00 C ATOM 0 H THR A 39 -2.725 1.066 1.551 1.00 0.00 H new ATOM 0 HA THR A 39 -0.312 2.703 1.910 1.00 0.00 H new ATOM 0 HB THR A 39 -1.608 4.287 3.229 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.885 2.657 2.545 1.00 0.00 H new ATOM 0 HG21 THR A 39 -3.027 5.250 1.458 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.467 4.684 0.815 1.00 0.00 H new ATOM 0 HG23 THR A 39 -2.938 3.716 0.560 1.00 0.00 H new ATOM 367 N ALA A 40 -0.700 2.337 4.644 1.00 0.00 N ATOM 368 CA ALA A 40 -0.453 1.718 5.946 1.00 0.00 C ATOM 369 C ALA A 40 -1.723 1.100 6.517 1.00 0.00 C ATOM 370 O ALA A 40 -1.696 0.033 7.133 1.00 0.00 O ATOM 371 CB ALA A 40 0.099 2.745 6.913 1.00 0.00 C ATOM 0 H ALA A 40 -0.540 3.344 4.620 1.00 0.00 H new ATOM 0 HA ALA A 40 0.278 0.922 5.805 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.280 2.275 7.880 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.035 3.145 6.524 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.620 3.555 7.033 1.00 0.00 H new ATOM 377 N ASN A 41 -2.835 1.785 6.297 1.00 0.00 N ATOM 378 CA ASN A 41 -4.134 1.340 6.783 1.00 0.00 C ATOM 379 C ASN A 41 -4.509 0.008 6.171 1.00 0.00 C ATOM 380 O ASN A 41 -5.013 -0.891 6.847 1.00 0.00 O ATOM 381 CB ASN A 41 -5.199 2.373 6.434 1.00 0.00 C ATOM 382 CG ASN A 41 -4.943 3.696 7.093 1.00 0.00 C ATOM 383 OD1 ASN A 41 -5.326 3.924 8.240 1.00 0.00 O ATOM 384 ND2 ASN A 41 -4.323 4.585 6.355 1.00 0.00 N ATOM 0 H ASN A 41 -2.863 2.663 5.778 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.073 1.225 7.865 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.231 2.508 5.353 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.177 2.001 6.738 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.138 5.517 6.727 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.026 4.345 5.409 1.00 0.00 H new ATOM 391 N ASP A 42 -4.249 -0.106 4.885 1.00 0.00 N ATOM 392 CA ASP A 42 -4.556 -1.315 4.139 1.00 0.00 C ATOM 393 C ASP A 42 -3.632 -2.454 4.549 1.00 0.00 C ATOM 394 O ASP A 42 -4.036 -3.610 4.552 1.00 0.00 O ATOM 395 CB ASP A 42 -4.437 -1.060 2.639 1.00 0.00 C ATOM 396 CG ASP A 42 -5.260 0.121 2.171 1.00 0.00 C ATOM 397 OD1 ASP A 42 -6.492 -0.029 2.013 1.00 0.00 O ATOM 398 OD2 ASP A 42 -4.674 1.206 1.959 1.00 0.00 O ATOM 0 H ASP A 42 -3.821 0.632 4.327 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.582 -1.602 4.368 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.390 -0.889 2.387 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.753 -1.952 2.099 1.00 0.00 H new ATOM 403 N VAL A 43 -2.396 -2.127 4.907 1.00 0.00 N ATOM 404 CA VAL A 43 -1.444 -3.131 5.380 1.00 0.00 C ATOM 405 C VAL A 43 -1.979 -3.860 6.615 1.00 0.00 C ATOM 406 O VAL A 43 -1.772 -5.059 6.783 1.00 0.00 O ATOM 407 CB VAL A 43 -0.077 -2.503 5.716 1.00 0.00 C ATOM 408 CG1 VAL A 43 0.818 -3.512 6.410 1.00 0.00 C ATOM 409 CG2 VAL A 43 0.600 -2.010 4.461 1.00 0.00 C ATOM 0 H VAL A 43 -2.028 -1.176 4.880 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.312 -3.846 4.568 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.249 -1.660 6.385 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.778 -3.050 6.639 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.345 -3.843 7.335 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.975 -4.370 5.756 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.564 -1.570 4.716 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.752 -2.845 3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.027 -1.258 3.981 1.00 0.00 H new ATOM 419 N SER A 44 -2.684 -3.128 7.464 1.00 0.00 N ATOM 420 CA SER A 44 -3.257 -3.692 8.682 1.00 0.00 C ATOM 421 C SER A 44 -4.277 -4.788 8.368 1.00 0.00 C ATOM 422 O SER A 44 -4.644 -5.576 9.241 1.00 0.00 O ATOM 423 CB SER A 44 -3.914 -2.588 9.496 1.00 0.00 C ATOM 424 OG SER A 44 -4.376 -3.073 10.746 1.00 0.00 O ATOM 0 H SER A 44 -2.875 -2.135 7.332 1.00 0.00 H new ATOM 0 HA SER A 44 -2.450 -4.144 9.259 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.201 -1.780 9.658 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.749 -2.168 8.935 1.00 0.00 H new ATOM 0 HG SER A 44 -4.792 -2.341 11.247 1.00 0.00 H new ATOM 430 N LYS A 45 -4.729 -4.827 7.121 1.00 0.00 N ATOM 431 CA LYS A 45 -5.705 -5.815 6.682 1.00 0.00 C ATOM 432 C LYS A 45 -5.076 -7.200 6.530 1.00 0.00 C ATOM 433 O LYS A 45 -5.771 -8.210 6.596 1.00 0.00 O ATOM 434 CB LYS A 45 -6.330 -5.384 5.365 1.00 0.00 C ATOM 435 CG LYS A 45 -7.073 -4.061 5.454 1.00 0.00 C ATOM 436 CD LYS A 45 -7.572 -3.622 4.093 1.00 0.00 C ATOM 437 CE LYS A 45 -8.563 -4.622 3.539 1.00 0.00 C ATOM 438 NZ LYS A 45 -8.811 -4.416 2.088 1.00 0.00 N ATOM 0 H LYS A 45 -4.432 -4.180 6.391 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.478 -5.879 7.448 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.548 -5.303 4.610 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.020 -6.158 5.028 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.915 -4.159 6.139 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.414 -3.297 5.867 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.042 -2.642 4.171 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.731 -3.518 3.408 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.188 -5.632 3.703 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.504 -4.539 4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.808 -4.618 1.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.596 -3.430 1.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.202 -5.055 1.538 1.00 0.00 H new ATOM 452 N ILE A 46 -3.763 -7.252 6.318 1.00 0.00 N ATOM 453 CA ILE A 46 -3.086 -8.520 6.176 1.00 0.00 C ATOM 454 C ILE A 46 -2.373 -8.934 7.445 1.00 0.00 C ATOM 455 O ILE A 46 -2.320 -8.192 8.428 1.00 0.00 O ATOM 456 CB ILE A 46 -2.064 -8.531 5.028 1.00 0.00 C ATOM 457 CG1 ILE A 46 -1.011 -7.434 5.180 1.00 0.00 C ATOM 458 CG2 ILE A 46 -2.781 -8.419 3.702 1.00 0.00 C ATOM 459 CD1 ILE A 46 0.161 -7.610 4.241 1.00 0.00 C ATOM 0 H ILE A 46 -3.159 -6.434 6.243 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.881 -9.231 5.950 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.529 -9.480 5.065 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.474 -6.465 4.997 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.649 -7.425 6.208 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.052 -8.427 2.892 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.463 -9.261 3.585 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.346 -7.488 3.672 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.875 -6.801 4.395 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.646 -8.566 4.440 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.193 -7.590 3.210 1.00 0.00 H new ATOM 471 N ARG A 47 -1.815 -10.124 7.388 1.00 0.00 N ATOM 472 CA ARG A 47 -1.134 -10.726 8.516 1.00 0.00 C ATOM 473 C ARG A 47 -0.289 -11.879 8.025 1.00 0.00 C ATOM 474 O ARG A 47 -0.607 -12.512 7.014 1.00 0.00 O ATOM 475 CB ARG A 47 -2.140 -11.226 9.564 1.00 0.00 C ATOM 476 CG ARG A 47 -3.069 -12.328 9.066 1.00 0.00 C ATOM 477 CD ARG A 47 -4.240 -11.774 8.267 1.00 0.00 C ATOM 478 NE ARG A 47 -5.095 -10.899 9.072 1.00 0.00 N ATOM 479 CZ ARG A 47 -6.326 -10.533 8.717 1.00 0.00 C ATOM 480 NH1 ARG A 47 -6.871 -11.029 7.611 1.00 0.00 N ATOM 481 NH2 ARG A 47 -7.022 -9.693 9.478 1.00 0.00 N ATOM 0 H ARG A 47 -1.821 -10.707 6.551 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.501 -9.974 8.987 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.591 -11.594 10.431 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.743 -10.384 9.902 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.505 -13.024 8.445 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.447 -12.894 9.917 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.862 -11.219 7.408 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.834 -12.600 7.876 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.726 -10.549 9.956 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.347 -11.689 7.036 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.813 -10.750 7.337 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.614 -9.326 10.338 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.964 -9.416 9.202 1.00 0.00 H new ATOM 495 N VAL A 48 0.790 -12.136 8.731 1.00 0.00 N ATOM 496 CA VAL A 48 1.705 -13.189 8.365 1.00 0.00 C ATOM 497 C VAL A 48 1.080 -14.539 8.673 1.00 0.00 C ATOM 498 O VAL A 48 0.376 -14.688 9.671 1.00 0.00 O ATOM 499 CB VAL A 48 3.026 -13.057 9.123 1.00 0.00 C ATOM 500 CG1 VAL A 48 4.176 -13.559 8.275 1.00 0.00 C ATOM 501 CG2 VAL A 48 3.252 -11.619 9.537 1.00 0.00 C ATOM 0 H VAL A 48 1.055 -11.622 9.571 1.00 0.00 H new ATOM 0 HA VAL A 48 1.909 -13.108 7.297 1.00 0.00 H new ATOM 0 HB VAL A 48 2.975 -13.670 10.023 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.109 -13.458 8.830 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.014 -14.608 8.026 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.234 -12.973 7.358 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.196 -11.540 10.076 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.286 -10.986 8.650 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.437 -11.294 10.184 1.00 0.00 H new ATOM 511 N GLY A 49 1.329 -15.513 7.821 1.00 0.00 N ATOM 512 CA GLY A 49 0.733 -16.816 8.013 1.00 0.00 C ATOM 513 C GLY A 49 -0.142 -17.225 6.850 1.00 0.00 C ATOM 514 O GLY A 49 -0.402 -18.414 6.656 1.00 0.00 O ATOM 0 H GLY A 49 1.931 -15.428 7.002 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.521 -17.557 8.150 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.139 -16.810 8.927 1.00 0.00 H new ATOM 518 N MET A 50 -0.612 -16.252 6.078 1.00 0.00 N ATOM 519 CA MET A 50 -1.395 -16.563 4.889 1.00 0.00 C ATOM 520 C MET A 50 -0.525 -16.563 3.644 1.00 0.00 C ATOM 521 O MET A 50 0.674 -16.293 3.707 1.00 0.00 O ATOM 522 CB MET A 50 -2.601 -15.632 4.700 1.00 0.00 C ATOM 523 CG MET A 50 -2.318 -14.151 4.818 1.00 0.00 C ATOM 524 SD MET A 50 -3.781 -13.166 4.436 1.00 0.00 S ATOM 525 CE MET A 50 -3.130 -11.512 4.562 1.00 0.00 C ATOM 0 H MET A 50 -0.468 -15.257 6.250 1.00 0.00 H new ATOM 0 HA MET A 50 -1.792 -17.566 5.044 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.032 -15.823 3.717 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.359 -15.897 5.437 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.979 -13.924 5.829 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.508 -13.879 4.141 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.798 -10.903 5.171 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.144 -11.543 5.026 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.049 -11.076 3.566 1.00 0.00 H new ATOM 535 N THR A 51 -1.140 -16.871 2.516 1.00 0.00 N ATOM 536 CA THR A 51 -0.411 -17.088 1.281 1.00 0.00 C ATOM 537 C THR A 51 -0.302 -15.822 0.458 1.00 0.00 C ATOM 538 O THR A 51 -0.738 -14.747 0.881 1.00 0.00 O ATOM 539 CB THR A 51 -1.107 -18.140 0.411 1.00 0.00 C ATOM 540 OG1 THR A 51 -2.357 -17.638 -0.064 1.00 0.00 O ATOM 541 CG2 THR A 51 -1.355 -19.387 1.203 1.00 0.00 C ATOM 0 H THR A 51 -2.151 -16.977 2.431 1.00 0.00 H new ATOM 0 HA THR A 51 0.584 -17.424 1.573 1.00 0.00 H new ATOM 0 HB THR A 51 -0.458 -18.367 -0.435 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.040 -18.337 0.010 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.850 -20.126 0.573 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.405 -19.789 1.556 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.991 -19.155 2.058 1.00 0.00 H new ATOM 549 N GLN A 52 0.269 -15.962 -0.726 1.00 0.00 N ATOM 550 CA GLN A 52 0.282 -14.891 -1.692 1.00 0.00 C ATOM 551 C GLN A 52 -1.137 -14.538 -2.117 1.00 0.00 C ATOM 552 O GLN A 52 -1.519 -13.367 -2.128 1.00 0.00 O ATOM 553 CB GLN A 52 1.088 -15.293 -2.919 1.00 0.00 C ATOM 554 CG GLN A 52 2.589 -15.340 -2.691 1.00 0.00 C ATOM 555 CD GLN A 52 3.353 -15.743 -3.937 1.00 0.00 C ATOM 556 OE1 GLN A 52 2.907 -15.508 -5.057 1.00 0.00 O ATOM 557 NE2 GLN A 52 4.518 -16.342 -3.751 1.00 0.00 N ATOM 0 H GLN A 52 0.732 -16.816 -1.038 1.00 0.00 H new ATOM 0 HA GLN A 52 0.744 -14.021 -1.225 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.752 -16.274 -3.255 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.876 -14.590 -3.725 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.934 -14.361 -2.358 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.810 -16.045 -1.889 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.855 -16.520 -2.805 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.079 -16.626 -4.554 1.00 0.00 H new ATOM 566 N GLN A 53 -1.933 -15.556 -2.428 1.00 0.00 N ATOM 567 CA GLN A 53 -3.259 -15.311 -2.979 1.00 0.00 C ATOM 568 C GLN A 53 -4.122 -14.618 -1.950 1.00 0.00 C ATOM 569 O GLN A 53 -4.941 -13.763 -2.275 1.00 0.00 O ATOM 570 CB GLN A 53 -3.932 -16.602 -3.440 1.00 0.00 C ATOM 571 CG GLN A 53 -4.142 -17.625 -2.354 1.00 0.00 C ATOM 572 CD GLN A 53 -5.190 -18.651 -2.718 1.00 0.00 C ATOM 573 OE1 GLN A 53 -4.887 -19.678 -3.324 1.00 0.00 O ATOM 574 NE2 GLN A 53 -6.430 -18.377 -2.349 1.00 0.00 N ATOM 0 H GLN A 53 -1.689 -16.539 -2.311 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.142 -14.670 -3.853 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.898 -16.355 -3.879 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.328 -17.049 -4.229 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.199 -18.131 -2.149 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.438 -17.119 -1.435 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.634 -17.512 -1.848 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.183 -19.030 -2.565 1.00 0.00 H new ATOM 583 N GLN A 54 -3.910 -14.989 -0.703 1.00 0.00 N ATOM 584 CA GLN A 54 -4.611 -14.368 0.406 1.00 0.00 C ATOM 585 C GLN A 54 -4.306 -12.875 0.451 1.00 0.00 C ATOM 586 O GLN A 54 -5.215 -12.046 0.483 1.00 0.00 O ATOM 587 CB GLN A 54 -4.190 -14.995 1.729 1.00 0.00 C ATOM 588 CG GLN A 54 -4.355 -16.500 1.801 1.00 0.00 C ATOM 589 CD GLN A 54 -5.540 -16.930 2.636 1.00 0.00 C ATOM 590 OE1 GLN A 54 -6.579 -16.265 2.665 1.00 0.00 O ATOM 591 NE2 GLN A 54 -5.367 -18.026 3.355 1.00 0.00 N ATOM 0 H GLN A 54 -3.254 -15.721 -0.430 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.679 -14.524 0.257 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.145 -14.749 1.915 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.772 -14.541 2.531 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.467 -16.895 0.791 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.448 -16.939 2.216 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.489 -18.541 3.296 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.112 -18.356 3.969 1.00 0.00 H new ATOM 600 N VAL A 55 -3.019 -12.540 0.435 1.00 0.00 N ATOM 601 CA VAL A 55 -2.590 -11.163 0.575 1.00 0.00 C ATOM 602 C VAL A 55 -3.003 -10.318 -0.615 1.00 0.00 C ATOM 603 O VAL A 55 -3.510 -9.219 -0.440 1.00 0.00 O ATOM 604 CB VAL A 55 -1.070 -11.067 0.764 1.00 0.00 C ATOM 605 CG1 VAL A 55 -0.616 -9.621 0.705 1.00 0.00 C ATOM 606 CG2 VAL A 55 -0.681 -11.685 2.084 1.00 0.00 C ATOM 0 H VAL A 55 -2.257 -13.210 0.326 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.086 -10.775 1.465 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.580 -11.612 -0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.464 -9.573 0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.879 -9.196 -0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.107 -9.053 1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.399 -11.615 2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.180 -11.154 2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.981 -12.733 2.098 1.00 0.00 H new ATOM 616 N ALA A 56 -2.811 -10.824 -1.824 1.00 0.00 N ATOM 617 CA ALA A 56 -3.160 -10.050 -3.008 1.00 0.00 C ATOM 618 C ALA A 56 -4.656 -9.799 -3.055 1.00 0.00 C ATOM 619 O ALA A 56 -5.113 -8.840 -3.664 1.00 0.00 O ATOM 620 CB ALA A 56 -2.693 -10.725 -4.287 1.00 0.00 C ATOM 0 H ALA A 56 -2.423 -11.749 -2.011 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.642 -9.094 -2.937 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.974 -10.114 -5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.609 -10.840 -4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.160 -11.706 -4.372 1.00 0.00 H new ATOM 626 N TYR A 57 -5.419 -10.668 -2.416 1.00 0.00 N ATOM 627 CA TYR A 57 -6.851 -10.477 -2.327 1.00 0.00 C ATOM 628 C TYR A 57 -7.205 -9.484 -1.216 1.00 0.00 C ATOM 629 O TYR A 57 -8.047 -8.605 -1.403 1.00 0.00 O ATOM 630 CB TYR A 57 -7.538 -11.825 -2.139 1.00 0.00 C ATOM 631 CG TYR A 57 -7.713 -12.568 -3.448 1.00 0.00 C ATOM 632 CD1 TYR A 57 -6.815 -12.385 -4.501 1.00 0.00 C ATOM 633 CD2 TYR A 57 -8.776 -13.439 -3.642 1.00 0.00 C ATOM 634 CE1 TYR A 57 -6.976 -13.043 -5.700 1.00 0.00 C ATOM 635 CE2 TYR A 57 -8.945 -14.103 -4.845 1.00 0.00 C ATOM 636 CZ TYR A 57 -8.041 -13.903 -5.870 1.00 0.00 C ATOM 637 OH TYR A 57 -8.205 -14.558 -7.072 1.00 0.00 O ATOM 0 H TYR A 57 -5.071 -11.508 -1.954 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.215 -10.042 -3.258 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -6.952 -12.436 -1.452 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.513 -11.672 -1.677 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.978 -11.715 -4.373 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -9.483 -13.601 -2.842 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.272 -12.886 -6.504 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -9.780 -14.774 -4.981 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.002 -15.127 -7.028 1.00 0.00 H new ATOM 647 N ALA A 58 -6.530 -9.614 -0.071 1.00 0.00 N ATOM 648 CA ALA A 58 -6.741 -8.724 1.069 1.00 0.00 C ATOM 649 C ALA A 58 -6.264 -7.313 0.765 1.00 0.00 C ATOM 650 O ALA A 58 -6.933 -6.326 1.068 1.00 0.00 O ATOM 651 CB ALA A 58 -5.991 -9.250 2.279 1.00 0.00 C ATOM 0 H ALA A 58 -5.827 -10.335 0.090 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.811 -8.693 1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.152 -8.582 3.125 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.356 -10.246 2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.926 -9.299 2.054 1.00 0.00 H new ATOM 657 N LEU A 59 -5.089 -7.247 0.171 1.00 0.00 N ATOM 658 CA LEU A 59 -4.388 -6.003 -0.064 1.00 0.00 C ATOM 659 C LEU A 59 -4.756 -5.400 -1.410 1.00 0.00 C ATOM 660 O LEU A 59 -4.899 -4.185 -1.546 1.00 0.00 O ATOM 661 CB LEU A 59 -2.884 -6.288 -0.001 1.00 0.00 C ATOM 662 CG LEU A 59 -2.109 -5.503 1.041 1.00 0.00 C ATOM 663 CD1 LEU A 59 -2.934 -5.367 2.299 1.00 0.00 C ATOM 664 CD2 LEU A 59 -0.803 -6.200 1.336 1.00 0.00 C ATOM 0 H LEU A 59 -4.588 -8.069 -0.166 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.673 -5.278 0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.742 -7.351 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.452 -6.081 -0.980 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.894 -4.506 0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.372 -4.803 3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.862 -4.843 2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.164 -6.357 2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.249 -5.633 2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.003 -7.203 1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.212 -6.268 0.422 1.00 0.00 H new ATOM 676 N GLY A 60 -4.955 -6.262 -2.384 1.00 0.00 N ATOM 677 CA GLY A 60 -5.116 -5.820 -3.748 1.00 0.00 C ATOM 678 C GLY A 60 -3.885 -6.166 -4.545 1.00 0.00 C ATOM 679 O GLY A 60 -2.770 -5.869 -4.120 1.00 0.00 O ATOM 0 H GLY A 60 -5.009 -7.272 -2.254 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.992 -6.292 -4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.286 -4.744 -3.774 1.00 0.00 H new ATOM 683 N THR A 61 -4.073 -6.832 -5.671 1.00 0.00 N ATOM 684 CA THR A 61 -2.954 -7.265 -6.485 1.00 0.00 C ATOM 685 C THR A 61 -2.112 -6.066 -6.927 1.00 0.00 C ATOM 686 O THR A 61 -2.647 -5.030 -7.333 1.00 0.00 O ATOM 687 CB THR A 61 -3.439 -8.062 -7.707 1.00 0.00 C ATOM 688 OG1 THR A 61 -4.367 -7.279 -8.469 1.00 0.00 O ATOM 689 CG2 THR A 61 -4.103 -9.362 -7.266 1.00 0.00 C ATOM 0 H THR A 61 -4.990 -7.084 -6.041 1.00 0.00 H new ATOM 0 HA THR A 61 -2.330 -7.920 -5.878 1.00 0.00 H new ATOM 0 HB THR A 61 -2.576 -8.301 -8.328 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.669 -7.794 -9.246 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.441 -9.914 -8.143 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.386 -9.967 -6.711 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.958 -9.136 -6.629 1.00 0.00 H new ATOM 697 N PRO A 62 -0.777 -6.205 -6.843 1.00 0.00 N ATOM 698 CA PRO A 62 0.168 -5.106 -7.077 1.00 0.00 C ATOM 699 C PRO A 62 0.100 -4.544 -8.489 1.00 0.00 C ATOM 700 O PRO A 62 -0.562 -5.112 -9.353 1.00 0.00 O ATOM 701 CB PRO A 62 1.545 -5.733 -6.814 1.00 0.00 C ATOM 702 CG PRO A 62 1.272 -6.999 -6.078 1.00 0.00 C ATOM 703 CD PRO A 62 -0.088 -7.458 -6.523 1.00 0.00 C ATOM 0 HA PRO A 62 -0.057 -4.256 -6.432 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.072 -5.928 -7.748 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.174 -5.065 -6.226 1.00 0.00 H new ATOM 0 HG2 PRO A 62 2.029 -7.751 -6.302 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.294 -6.835 -5.001 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.027 -8.116 -7.389 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.603 -8.011 -5.738 1.00 0.00 H new ATOM 711 N LEU A 63 0.805 -3.450 -8.713 1.00 0.00 N ATOM 712 CA LEU A 63 0.732 -2.698 -9.962 1.00 0.00 C ATOM 713 C LEU A 63 0.925 -3.601 -11.172 1.00 0.00 C ATOM 714 O LEU A 63 0.184 -3.502 -12.154 1.00 0.00 O ATOM 715 CB LEU A 63 1.809 -1.628 -9.942 1.00 0.00 C ATOM 716 CG LEU A 63 1.901 -0.862 -8.627 1.00 0.00 C ATOM 717 CD1 LEU A 63 3.301 -0.301 -8.459 1.00 0.00 C ATOM 718 CD2 LEU A 63 0.861 0.248 -8.583 1.00 0.00 C ATOM 0 H LEU A 63 1.450 -3.052 -8.031 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.257 -2.247 -10.044 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.773 -2.094 -10.147 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.619 -0.921 -10.749 1.00 0.00 H new ATOM 0 HG LEU A 63 1.697 -1.544 -7.801 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.363 0.246 -7.518 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.022 -1.118 -8.452 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.525 0.373 -9.286 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.941 0.784 -7.637 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.032 0.940 -9.408 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.136 -0.184 -8.672 1.00 0.00 H new ATOM 730 N MET A 64 1.906 -4.498 -11.077 1.00 0.00 N ATOM 731 CA MET A 64 2.203 -5.449 -12.155 1.00 0.00 C ATOM 732 C MET A 64 1.001 -6.336 -12.500 1.00 0.00 C ATOM 733 O MET A 64 1.015 -7.038 -13.511 1.00 0.00 O ATOM 734 CB MET A 64 3.413 -6.309 -11.783 1.00 0.00 C ATOM 735 CG MET A 64 3.380 -6.838 -10.357 1.00 0.00 C ATOM 736 SD MET A 64 4.915 -7.657 -9.886 1.00 0.00 S ATOM 737 CE MET A 64 4.597 -7.934 -8.149 1.00 0.00 C ATOM 0 H MET A 64 2.513 -4.588 -10.262 1.00 0.00 H new ATOM 0 HA MET A 64 2.435 -4.866 -13.046 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.472 -7.152 -12.471 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.320 -5.721 -11.921 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.188 -6.013 -9.672 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.552 -7.539 -10.252 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.496 -7.712 -7.575 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.786 -7.285 -7.819 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.315 -8.975 -7.992 1.00 0.00 H new ATOM 747 N SER A 65 -0.022 -6.308 -11.640 1.00 0.00 N ATOM 748 CA SER A 65 -1.297 -7.003 -11.872 1.00 0.00 C ATOM 749 C SER A 65 -1.137 -8.522 -11.804 1.00 0.00 C ATOM 750 O SER A 65 -2.106 -9.271 -11.937 1.00 0.00 O ATOM 751 CB SER A 65 -1.903 -6.572 -13.215 1.00 0.00 C ATOM 752 OG SER A 65 -3.251 -7.001 -13.350 1.00 0.00 O ATOM 0 H SER A 65 0.009 -5.799 -10.756 1.00 0.00 H new ATOM 0 HA SER A 65 -1.982 -6.718 -11.073 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.857 -5.486 -13.302 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.308 -6.983 -14.030 1.00 0.00 H new ATOM 0 HG SER A 65 -3.348 -7.899 -12.971 1.00 0.00 H new ATOM 758 N ASP A 66 0.081 -8.965 -11.568 1.00 0.00 N ATOM 759 CA ASP A 66 0.380 -10.377 -11.434 1.00 0.00 C ATOM 760 C ASP A 66 1.280 -10.586 -10.234 1.00 0.00 C ATOM 761 O ASP A 66 2.498 -10.486 -10.332 1.00 0.00 O ATOM 762 CB ASP A 66 1.047 -10.940 -12.687 1.00 0.00 C ATOM 763 CG ASP A 66 0.082 -11.122 -13.840 1.00 0.00 C ATOM 764 OD1 ASP A 66 -0.172 -10.149 -14.578 1.00 0.00 O ATOM 765 OD2 ASP A 66 -0.412 -12.256 -14.026 1.00 0.00 O ATOM 0 H ASP A 66 0.893 -8.356 -11.464 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.561 -10.910 -11.296 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.851 -10.272 -12.995 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.504 -11.900 -12.448 1.00 0.00 H new ATOM 770 N PRO A 67 0.673 -10.835 -9.080 1.00 0.00 N ATOM 771 CA PRO A 67 1.391 -11.022 -7.820 1.00 0.00 C ATOM 772 C PRO A 67 2.026 -12.406 -7.690 1.00 0.00 C ATOM 773 O PRO A 67 3.066 -12.564 -7.053 1.00 0.00 O ATOM 774 CB PRO A 67 0.280 -10.841 -6.786 1.00 0.00 C ATOM 775 CG PRO A 67 -0.949 -11.333 -7.471 1.00 0.00 C ATOM 776 CD PRO A 67 -0.785 -10.940 -8.915 1.00 0.00 C ATOM 0 HA PRO A 67 2.229 -10.333 -7.715 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.484 -11.411 -5.879 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.179 -9.797 -6.490 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.051 -12.413 -7.367 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.845 -10.885 -7.041 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.212 -11.686 -9.585 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.282 -9.995 -9.133 1.00 0.00 H new ATOM 784 N PHE A 68 1.412 -13.394 -8.333 1.00 0.00 N ATOM 785 CA PHE A 68 1.796 -14.787 -8.173 1.00 0.00 C ATOM 786 C PHE A 68 3.016 -15.146 -9.019 1.00 0.00 C ATOM 787 O PHE A 68 3.240 -16.317 -9.330 1.00 0.00 O ATOM 788 CB PHE A 68 0.617 -15.679 -8.559 1.00 0.00 C ATOM 789 CG PHE A 68 -0.673 -15.291 -7.895 1.00 0.00 C ATOM 790 CD1 PHE A 68 -0.706 -14.987 -6.545 1.00 0.00 C ATOM 791 CD2 PHE A 68 -1.849 -15.219 -8.622 1.00 0.00 C ATOM 792 CE1 PHE A 68 -1.887 -14.625 -5.929 1.00 0.00 C ATOM 793 CE2 PHE A 68 -3.037 -14.859 -8.013 1.00 0.00 C ATOM 794 CZ PHE A 68 -3.055 -14.558 -6.665 1.00 0.00 C ATOM 0 H PHE A 68 0.635 -13.249 -8.978 1.00 0.00 H new ATOM 0 HA PHE A 68 2.066 -14.946 -7.129 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.484 -15.644 -9.640 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.853 -16.711 -8.300 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.204 -15.034 -5.966 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.838 -15.447 -9.678 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.898 -14.395 -4.874 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.949 -14.813 -8.590 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.980 -14.271 -6.187 1.00 0.00 H new ATOM 804 N GLY A 69 3.795 -14.145 -9.395 1.00 0.00 N ATOM 805 CA GLY A 69 4.984 -14.391 -10.184 1.00 0.00 C ATOM 806 C GLY A 69 6.250 -14.088 -9.411 1.00 0.00 C ATOM 807 O GLY A 69 7.341 -14.519 -9.793 1.00 0.00 O ATOM 0 H GLY A 69 3.626 -13.165 -9.168 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.996 -15.432 -10.506 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.954 -13.779 -11.085 1.00 0.00 H new ATOM 811 N THR A 70 6.108 -13.336 -8.330 1.00 0.00 N ATOM 812 CA THR A 70 7.242 -12.956 -7.507 1.00 0.00 C ATOM 813 C THR A 70 7.008 -13.370 -6.054 1.00 0.00 C ATOM 814 O THR A 70 5.919 -13.817 -5.695 1.00 0.00 O ATOM 815 CB THR A 70 7.505 -11.431 -7.586 1.00 0.00 C ATOM 816 OG1 THR A 70 8.807 -11.123 -7.063 1.00 0.00 O ATOM 817 CG2 THR A 70 6.462 -10.655 -6.806 1.00 0.00 C ATOM 0 H THR A 70 5.212 -12.976 -8.002 1.00 0.00 H new ATOM 0 HA THR A 70 8.121 -13.475 -7.889 1.00 0.00 H new ATOM 0 HB THR A 70 7.450 -11.140 -8.635 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.962 -10.157 -7.120 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.672 -9.588 -6.879 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.473 -10.859 -7.217 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.489 -10.959 -5.760 1.00 0.00 H new ATOM 825 N ASN A 71 8.030 -13.225 -5.228 1.00 0.00 N ATOM 826 CA ASN A 71 7.924 -13.566 -3.813 1.00 0.00 C ATOM 827 C ASN A 71 8.321 -12.369 -2.958 1.00 0.00 C ATOM 828 O ASN A 71 8.604 -12.500 -1.765 1.00 0.00 O ATOM 829 CB ASN A 71 8.800 -14.776 -3.470 1.00 0.00 C ATOM 830 CG ASN A 71 10.284 -14.508 -3.649 1.00 0.00 C ATOM 831 OD1 ASN A 71 10.693 -13.704 -4.491 1.00 0.00 O ATOM 832 ND2 ASN A 71 11.102 -15.181 -2.856 1.00 0.00 N ATOM 0 H ASN A 71 8.945 -12.873 -5.510 1.00 0.00 H new ATOM 0 HA ASN A 71 6.888 -13.829 -3.601 1.00 0.00 H new ATOM 0 HB2 ASN A 71 8.612 -15.072 -2.438 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.510 -15.617 -4.100 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.110 -15.044 -2.928 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.724 -15.837 -2.172 1.00 0.00 H new ATOM 839 N THR A 72 8.362 -11.205 -3.594 1.00 0.00 N ATOM 840 CA THR A 72 8.658 -9.958 -2.923 1.00 0.00 C ATOM 841 C THR A 72 7.739 -8.864 -3.454 1.00 0.00 C ATOM 842 O THR A 72 7.868 -8.437 -4.602 1.00 0.00 O ATOM 843 CB THR A 72 10.120 -9.550 -3.147 1.00 0.00 C ATOM 844 OG1 THR A 72 10.984 -10.665 -2.888 1.00 0.00 O ATOM 845 CG2 THR A 72 10.484 -8.409 -2.231 1.00 0.00 C ATOM 0 H THR A 72 8.189 -11.105 -4.594 1.00 0.00 H new ATOM 0 HA THR A 72 8.496 -10.094 -1.854 1.00 0.00 H new ATOM 0 HB THR A 72 10.241 -9.232 -4.183 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.915 -10.398 -3.034 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.524 -8.126 -2.397 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.838 -7.556 -2.438 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.354 -8.719 -1.194 1.00 0.00 H new ATOM 853 N TRP A 73 6.801 -8.432 -2.626 1.00 0.00 N ATOM 854 CA TRP A 73 5.795 -7.463 -3.050 1.00 0.00 C ATOM 855 C TRP A 73 6.103 -6.088 -2.486 1.00 0.00 C ATOM 856 O TRP A 73 6.583 -5.969 -1.359 1.00 0.00 O ATOM 857 CB TRP A 73 4.402 -7.926 -2.611 1.00 0.00 C ATOM 858 CG TRP A 73 3.945 -9.165 -3.316 1.00 0.00 C ATOM 859 CD1 TRP A 73 4.584 -9.809 -4.333 1.00 0.00 C ATOM 860 CD2 TRP A 73 2.748 -9.905 -3.067 1.00 0.00 C ATOM 861 NE1 TRP A 73 3.863 -10.908 -4.724 1.00 0.00 N ATOM 862 CE2 TRP A 73 2.733 -10.987 -3.965 1.00 0.00 C ATOM 863 CE3 TRP A 73 1.689 -9.761 -2.172 1.00 0.00 C ATOM 864 CZ2 TRP A 73 1.706 -11.916 -3.993 1.00 0.00 C ATOM 865 CZ3 TRP A 73 0.667 -10.687 -2.204 1.00 0.00 C ATOM 866 CH2 TRP A 73 0.684 -11.750 -3.110 1.00 0.00 C ATOM 0 H TRP A 73 6.713 -8.735 -1.656 1.00 0.00 H new ATOM 0 HA TRP A 73 5.815 -7.394 -4.138 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.408 -8.108 -1.536 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.685 -7.126 -2.794 1.00 0.00 H new ATOM 0 HD1 TRP A 73 5.523 -9.499 -4.768 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.129 -11.560 -5.462 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.669 -8.942 -1.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 1.716 -12.741 -4.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.160 -10.588 -1.517 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -0.133 -12.456 -3.110 1.00 0.00 H new ATOM 877 N PHE A 74 5.836 -5.050 -3.274 1.00 0.00 N ATOM 878 CA PHE A 74 6.167 -3.687 -2.869 1.00 0.00 C ATOM 879 C PHE A 74 4.914 -2.824 -2.757 1.00 0.00 C ATOM 880 O PHE A 74 4.222 -2.577 -3.742 1.00 0.00 O ATOM 881 CB PHE A 74 7.151 -3.050 -3.856 1.00 0.00 C ATOM 882 CG PHE A 74 8.298 -3.949 -4.228 1.00 0.00 C ATOM 883 CD1 PHE A 74 9.252 -4.309 -3.290 1.00 0.00 C ATOM 884 CD2 PHE A 74 8.412 -4.440 -5.518 1.00 0.00 C ATOM 885 CE1 PHE A 74 10.298 -5.143 -3.633 1.00 0.00 C ATOM 886 CE2 PHE A 74 9.456 -5.273 -5.867 1.00 0.00 C ATOM 887 CZ PHE A 74 10.401 -5.625 -4.923 1.00 0.00 C ATOM 0 H PHE A 74 5.394 -5.125 -4.190 1.00 0.00 H new ATOM 0 HA PHE A 74 6.637 -3.742 -1.887 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.613 -2.768 -4.761 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.546 -2.132 -3.421 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.177 -3.934 -2.280 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.675 -4.168 -6.260 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.035 -5.418 -2.893 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.534 -5.649 -6.876 1.00 0.00 H new ATOM 0 HZ PHE A 74 11.219 -6.276 -5.193 1.00 0.00 H new ATOM 897 N TYR A 75 4.630 -2.392 -1.540 1.00 0.00 N ATOM 898 CA TYR A 75 3.512 -1.500 -1.255 1.00 0.00 C ATOM 899 C TYR A 75 4.033 -0.338 -0.418 1.00 0.00 C ATOM 900 O TYR A 75 5.214 -0.320 -0.075 1.00 0.00 O ATOM 901 CB TYR A 75 2.406 -2.241 -0.503 1.00 0.00 C ATOM 902 CG TYR A 75 1.925 -3.495 -1.187 1.00 0.00 C ATOM 903 CD1 TYR A 75 1.208 -3.438 -2.373 1.00 0.00 C ATOM 904 CD2 TYR A 75 2.179 -4.733 -0.629 1.00 0.00 C ATOM 905 CE1 TYR A 75 0.758 -4.589 -2.987 1.00 0.00 C ATOM 906 CE2 TYR A 75 1.737 -5.893 -1.235 1.00 0.00 C ATOM 907 CZ TYR A 75 1.026 -5.815 -2.413 1.00 0.00 C ATOM 908 OH TYR A 75 0.575 -6.965 -3.016 1.00 0.00 O ATOM 0 H TYR A 75 5.171 -2.650 -0.714 1.00 0.00 H new ATOM 0 HA TYR A 75 3.087 -1.132 -2.189 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.769 -2.500 0.492 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.560 -1.567 -0.368 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.999 -2.479 -2.823 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.732 -4.795 0.296 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.200 -4.531 -3.910 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.947 -6.854 -0.789 1.00 0.00 H new ATOM 0 HH TYR A 75 1.078 -7.733 -2.673 1.00 0.00 H new ATOM 918 N VAL A 76 3.196 0.640 -0.100 1.00 0.00 N ATOM 919 CA VAL A 76 3.680 1.804 0.636 1.00 0.00 C ATOM 920 C VAL A 76 2.817 2.093 1.860 1.00 0.00 C ATOM 921 O VAL A 76 1.650 1.718 1.922 1.00 0.00 O ATOM 922 CB VAL A 76 3.761 3.055 -0.276 1.00 0.00 C ATOM 923 CG1 VAL A 76 2.398 3.419 -0.826 1.00 0.00 C ATOM 924 CG2 VAL A 76 4.371 4.245 0.452 1.00 0.00 C ATOM 0 H VAL A 76 2.203 0.655 -0.332 1.00 0.00 H new ATOM 0 HA VAL A 76 4.686 1.567 0.981 1.00 0.00 H new ATOM 0 HB VAL A 76 4.415 2.800 -1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.486 4.300 -1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.008 2.586 -1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.718 3.633 -0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.410 5.102 -0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.760 4.493 1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.380 3.993 0.779 1.00 0.00 H new ATOM 934 N PHE A 77 3.434 2.722 2.845 1.00 0.00 N ATOM 935 CA PHE A 77 2.746 3.152 4.056 1.00 0.00 C ATOM 936 C PHE A 77 2.208 4.561 3.884 1.00 0.00 C ATOM 937 O PHE A 77 2.684 5.316 3.034 1.00 0.00 O ATOM 938 CB PHE A 77 3.700 3.117 5.253 1.00 0.00 C ATOM 939 CG PHE A 77 3.573 1.888 6.107 1.00 0.00 C ATOM 940 CD1 PHE A 77 3.184 0.680 5.558 1.00 0.00 C ATOM 941 CD2 PHE A 77 3.825 1.952 7.468 1.00 0.00 C ATOM 942 CE1 PHE A 77 3.056 -0.444 6.348 1.00 0.00 C ATOM 943 CE2 PHE A 77 3.698 0.832 8.264 1.00 0.00 C ATOM 944 CZ PHE A 77 3.310 -0.367 7.703 1.00 0.00 C ATOM 0 H PHE A 77 4.428 2.951 2.830 1.00 0.00 H new ATOM 0 HA PHE A 77 1.917 2.469 4.238 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.725 3.188 4.888 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.520 3.996 5.872 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.978 0.616 4.500 1.00 0.00 H new ATOM 0 HD2 PHE A 77 4.125 2.890 7.911 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.757 -1.383 5.907 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.902 0.894 9.323 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.205 -1.245 8.323 1.00 0.00 H new ATOM 1137 N THR A 90 8.157 1.612 2.830 1.00 0.00 N ATOM 1138 CA THR A 90 7.649 0.651 1.889 1.00 0.00 C ATOM 1139 C THR A 90 7.340 -0.672 2.566 1.00 0.00 C ATOM 1140 O THR A 90 8.051 -1.106 3.477 1.00 0.00 O ATOM 1141 CB THR A 90 8.668 0.429 0.771 1.00 0.00 C ATOM 1142 OG1 THR A 90 9.997 0.405 1.313 1.00 0.00 O ATOM 1143 CG2 THR A 90 8.553 1.524 -0.258 1.00 0.00 C ATOM 0 HA THR A 90 6.723 1.046 1.470 1.00 0.00 H new ATOM 0 HB THR A 90 8.463 -0.529 0.294 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.991 0.798 2.211 1.00 0.00 H new ATOM 0 HG21 THR A 90 9.283 1.357 -1.050 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.549 1.520 -0.683 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.744 2.488 0.214 1.00 0.00 H new ATOM 1151 N LEU A 91 6.261 -1.295 2.127 1.00 0.00 N ATOM 1152 CA LEU A 91 5.905 -2.614 2.594 1.00 0.00 C ATOM 1153 C LEU A 91 6.490 -3.642 1.650 1.00 0.00 C ATOM 1154 O LEU A 91 6.091 -3.729 0.491 1.00 0.00 O ATOM 1155 CB LEU A 91 4.392 -2.806 2.654 1.00 0.00 C ATOM 1156 CG LEU A 91 3.960 -4.097 3.352 1.00 0.00 C ATOM 1157 CD1 LEU A 91 4.037 -3.932 4.849 1.00 0.00 C ATOM 1158 CD2 LEU A 91 2.564 -4.535 2.957 1.00 0.00 C ATOM 0 H LEU A 91 5.615 -0.901 1.443 1.00 0.00 H new ATOM 0 HA LEU A 91 6.303 -2.734 3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.948 -1.957 3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.994 -2.802 1.639 1.00 0.00 H new ATOM 0 HG LEU A 91 4.650 -4.877 3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.727 -4.858 5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.062 -3.697 5.137 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.378 -3.121 5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.309 -5.456 3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.849 -3.756 3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.528 -4.709 1.882 1.00 0.00 H new ATOM 1170 N THR A 92 7.439 -4.394 2.139 1.00 0.00 N ATOM 1171 CA THR A 92 8.057 -5.437 1.362 1.00 0.00 C ATOM 1172 C THR A 92 7.576 -6.776 1.876 1.00 0.00 C ATOM 1173 O THR A 92 7.960 -7.209 2.959 1.00 0.00 O ATOM 1174 CB THR A 92 9.585 -5.362 1.465 1.00 0.00 C ATOM 1175 OG1 THR A 92 10.009 -4.005 1.268 1.00 0.00 O ATOM 1176 CG2 THR A 92 10.240 -6.254 0.426 1.00 0.00 C ATOM 0 H THR A 92 7.806 -4.302 3.086 1.00 0.00 H new ATOM 0 HA THR A 92 7.781 -5.313 0.315 1.00 0.00 H new ATOM 0 HB THR A 92 9.885 -5.706 2.455 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.725 -3.980 0.599 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.324 -6.185 0.518 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.928 -7.286 0.584 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.939 -5.933 -0.571 1.00 0.00 H new ATOM 1184 N LEU A 93 6.709 -7.418 1.131 1.00 0.00 N ATOM 1185 CA LEU A 93 6.133 -8.649 1.612 1.00 0.00 C ATOM 1186 C LEU A 93 7.014 -9.829 1.242 1.00 0.00 C ATOM 1187 O LEU A 93 7.246 -10.099 0.063 1.00 0.00 O ATOM 1188 CB LEU A 93 4.717 -8.850 1.092 1.00 0.00 C ATOM 1189 CG LEU A 93 3.836 -9.567 2.074 1.00 0.00 C ATOM 1190 CD1 LEU A 93 3.616 -8.683 3.281 1.00 0.00 C ATOM 1191 CD2 LEU A 93 2.525 -9.951 1.457 1.00 0.00 C ATOM 0 H LEU A 93 6.392 -7.117 0.209 1.00 0.00 H new ATOM 0 HA LEU A 93 6.075 -8.584 2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.279 -7.880 0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.753 -9.416 0.161 1.00 0.00 H new ATOM 0 HG LEU A 93 4.331 -10.488 2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.977 -9.198 3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.575 -8.458 3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.137 -7.755 2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.913 -10.468 2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.006 -9.054 1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.702 -10.610 0.607 1.00 0.00 H new ATOM 1203 N THR A 94 7.507 -10.515 2.264 1.00 0.00 N ATOM 1204 CA THR A 94 8.442 -11.586 2.097 1.00 0.00 C ATOM 1205 C THR A 94 7.749 -12.949 2.219 1.00 0.00 C ATOM 1206 O THR A 94 7.110 -13.252 3.240 1.00 0.00 O ATOM 1207 CB THR A 94 9.545 -11.441 3.153 1.00 0.00 C ATOM 1208 OG1 THR A 94 10.325 -10.267 2.898 1.00 0.00 O ATOM 1209 CG2 THR A 94 10.423 -12.656 3.163 1.00 0.00 C ATOM 0 H THR A 94 7.258 -10.331 3.236 1.00 0.00 H new ATOM 0 HA THR A 94 8.877 -11.534 1.099 1.00 0.00 H new ATOM 0 HB THR A 94 9.077 -11.344 4.132 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.181 -9.616 3.617 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.200 -12.537 3.918 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.824 -13.536 3.395 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.884 -12.780 2.183 1.00 0.00 H new ATOM 1217 N PHE A 95 7.882 -13.754 1.166 1.00 0.00 N ATOM 1218 CA PHE A 95 7.254 -15.070 1.100 1.00 0.00 C ATOM 1219 C PHE A 95 8.298 -16.177 1.036 1.00 0.00 C ATOM 1220 O PHE A 95 9.332 -16.032 0.384 1.00 0.00 O ATOM 1221 CB PHE A 95 6.351 -15.169 -0.131 1.00 0.00 C ATOM 1222 CG PHE A 95 5.083 -14.383 -0.024 1.00 0.00 C ATOM 1223 CD1 PHE A 95 4.009 -14.904 0.662 1.00 0.00 C ATOM 1224 CD2 PHE A 95 4.959 -13.140 -0.615 1.00 0.00 C ATOM 1225 CE1 PHE A 95 2.829 -14.209 0.769 1.00 0.00 C ATOM 1226 CE2 PHE A 95 3.776 -12.433 -0.515 1.00 0.00 C ATOM 1227 CZ PHE A 95 2.708 -12.975 0.179 1.00 0.00 C ATOM 0 H PHE A 95 8.426 -13.512 0.338 1.00 0.00 H new ATOM 0 HA PHE A 95 6.660 -15.194 2.006 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.906 -14.825 -1.004 1.00 0.00 H new ATOM 0 HB3 PHE A 95 6.103 -16.216 -0.303 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.096 -15.876 1.124 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.792 -12.719 -1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.999 -14.632 1.315 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.685 -11.461 -0.977 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.780 -12.428 0.256 1.00 0.00 H new ATOM 1237 N ASN A 96 8.025 -17.274 1.735 1.00 0.00 N ATOM 1238 CA ASN A 96 8.882 -18.456 1.685 1.00 0.00 C ATOM 1239 C ASN A 96 8.668 -19.238 0.390 1.00 0.00 C ATOM 1240 O ASN A 96 7.867 -18.833 -0.457 1.00 0.00 O ATOM 1241 CB ASN A 96 8.657 -19.363 2.905 1.00 0.00 C ATOM 1242 CG ASN A 96 7.214 -19.804 3.081 1.00 0.00 C ATOM 1243 OD1 ASN A 96 6.470 -19.975 2.112 1.00 0.00 O ATOM 1244 ND2 ASN A 96 6.806 -19.985 4.328 1.00 0.00 N ATOM 0 H ASN A 96 7.214 -17.370 2.346 1.00 0.00 H new ATOM 0 HA ASN A 96 9.915 -18.109 1.708 1.00 0.00 H new ATOM 0 HB2 ASN A 96 9.289 -20.246 2.811 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.978 -18.835 3.803 1.00 0.00 H new ATOM 0 HD21 ASN A 96 5.846 -20.276 4.513 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.452 -19.833 5.103 1.00 0.00 H new ATOM 1251 N SER A 97 9.355 -20.368 0.260 1.00 0.00 N ATOM 1252 CA SER A 97 9.313 -21.175 -0.956 1.00 0.00 C ATOM 1253 C SER A 97 7.878 -21.551 -1.363 1.00 0.00 C ATOM 1254 O SER A 97 7.544 -21.541 -2.553 1.00 0.00 O ATOM 1255 CB SER A 97 10.163 -22.438 -0.761 1.00 0.00 C ATOM 1256 OG SER A 97 10.328 -23.153 -1.978 1.00 0.00 O ATOM 0 H SER A 97 9.955 -20.750 0.991 1.00 0.00 H new ATOM 0 HA SER A 97 9.722 -20.574 -1.768 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.141 -22.161 -0.366 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.691 -23.084 -0.021 1.00 0.00 H new ATOM 0 HG SER A 97 10.875 -23.950 -1.818 1.00 0.00 H new ATOM 1262 N SER A 98 7.023 -21.850 -0.384 1.00 0.00 N ATOM 1263 CA SER A 98 5.685 -22.319 -0.663 1.00 0.00 C ATOM 1264 C SER A 98 4.738 -21.169 -1.011 1.00 0.00 C ATOM 1265 O SER A 98 3.576 -21.395 -1.353 1.00 0.00 O ATOM 1266 CB SER A 98 5.172 -23.073 0.557 1.00 0.00 C ATOM 1267 OG SER A 98 6.011 -24.173 0.873 1.00 0.00 O ATOM 0 H SER A 98 7.244 -21.772 0.609 1.00 0.00 H new ATOM 0 HA SER A 98 5.719 -22.977 -1.531 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.119 -22.396 1.410 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.159 -23.428 0.368 1.00 0.00 H new ATOM 0 HG SER A 98 5.659 -24.637 1.661 1.00 0.00 H new ATOM 1273 N GLY A 99 5.239 -19.942 -0.932 1.00 0.00 N ATOM 1274 CA GLY A 99 4.409 -18.788 -1.213 1.00 0.00 C ATOM 1275 C GLY A 99 3.611 -18.360 0.000 1.00 0.00 C ATOM 1276 O GLY A 99 2.525 -17.791 -0.124 1.00 0.00 O ATOM 0 H GLY A 99 6.203 -19.727 -0.679 1.00 0.00 H new ATOM 0 HA2 GLY A 99 5.037 -17.961 -1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.728 -19.021 -2.032 1.00 0.00 H new ATOM 1280 N VAL A 100 4.155 -18.644 1.174 1.00 0.00 N ATOM 1281 CA VAL A 100 3.501 -18.316 2.432 1.00 0.00 C ATOM 1282 C VAL A 100 4.206 -17.135 3.089 1.00 0.00 C ATOM 1283 O VAL A 100 5.433 -17.030 3.026 1.00 0.00 O ATOM 1284 CB VAL A 100 3.527 -19.519 3.399 1.00 0.00 C ATOM 1285 CG1 VAL A 100 2.570 -19.303 4.563 1.00 0.00 C ATOM 1286 CG2 VAL A 100 3.205 -20.808 2.658 1.00 0.00 C ATOM 0 H VAL A 100 5.058 -19.106 1.282 1.00 0.00 H new ATOM 0 HA VAL A 100 2.464 -18.059 2.216 1.00 0.00 H new ATOM 0 HB VAL A 100 4.533 -19.606 3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.607 -20.165 5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.861 -18.407 5.112 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.556 -19.182 4.183 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.228 -21.645 3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.213 -20.734 2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.943 -20.970 1.873 1.00 0.00 H new ATOM 1296 N LEU A 101 3.433 -16.236 3.689 1.00 0.00 N ATOM 1297 CA LEU A 101 3.981 -15.079 4.369 1.00 0.00 C ATOM 1298 C LEU A 101 4.906 -15.466 5.498 1.00 0.00 C ATOM 1299 O LEU A 101 4.541 -16.231 6.391 1.00 0.00 O ATOM 1300 CB LEU A 101 2.864 -14.208 4.912 1.00 0.00 C ATOM 1301 CG LEU A 101 2.509 -13.037 4.022 1.00 0.00 C ATOM 1302 CD1 LEU A 101 1.424 -12.204 4.660 1.00 0.00 C ATOM 1303 CD2 LEU A 101 3.735 -12.194 3.753 1.00 0.00 C ATOM 0 H LEU A 101 2.415 -16.292 3.715 1.00 0.00 H new ATOM 0 HA LEU A 101 4.562 -14.523 3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.976 -14.823 5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.155 -13.831 5.892 1.00 0.00 H new ATOM 0 HG LEU A 101 2.136 -13.420 3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.179 -11.365 4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.536 -12.818 4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.773 -11.827 5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.466 -11.355 3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.132 -11.817 4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.493 -12.801 3.257 1.00 0.00 H new ATOM 1315 N THR A 102 6.104 -14.922 5.446 1.00 0.00 N ATOM 1316 CA THR A 102 7.083 -15.130 6.498 1.00 0.00 C ATOM 1317 C THR A 102 7.316 -13.845 7.262 1.00 0.00 C ATOM 1318 O THR A 102 7.510 -13.855 8.478 1.00 0.00 O ATOM 1319 CB THR A 102 8.417 -15.632 5.926 1.00 0.00 C ATOM 1320 OG1 THR A 102 9.115 -14.566 5.272 1.00 0.00 O ATOM 1321 CG2 THR A 102 8.160 -16.720 4.917 1.00 0.00 C ATOM 0 H THR A 102 6.427 -14.328 4.682 1.00 0.00 H new ATOM 0 HA THR A 102 6.686 -15.889 7.173 1.00 0.00 H new ATOM 0 HB THR A 102 9.020 -16.013 6.750 1.00 0.00 H new ATOM 0 HG1 THR A 102 10.026 -14.856 5.056 1.00 0.00 H new ATOM 0 HG21 THR A 102 9.109 -17.074 4.513 1.00 0.00 H new ATOM 0 HG22 THR A 102 7.640 -17.548 5.399 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.545 -16.327 4.107 1.00 0.00 H new ATOM 1329 N ASN A 103 7.295 -12.733 6.544 1.00 0.00 N ATOM 1330 CA ASN A 103 7.435 -11.433 7.188 1.00 0.00 C ATOM 1331 C ASN A 103 6.757 -10.334 6.387 1.00 0.00 C ATOM 1332 O ASN A 103 6.606 -10.430 5.166 1.00 0.00 O ATOM 1333 CB ASN A 103 8.910 -11.076 7.375 1.00 0.00 C ATOM 1334 CG ASN A 103 9.105 -9.832 8.233 1.00 0.00 C ATOM 1335 OD1 ASN A 103 8.312 -9.553 9.137 1.00 0.00 O ATOM 1336 ND2 ASN A 103 10.149 -9.070 7.955 1.00 0.00 N ATOM 0 H ASN A 103 7.184 -12.701 5.531 1.00 0.00 H new ATOM 0 HA ASN A 103 6.950 -11.507 8.161 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.428 -11.917 7.836 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.368 -10.916 6.399 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.319 -8.221 8.495 1.00 0.00 H new ATOM 0 HD22 ASN A 103 10.784 -9.331 7.201 1.00 0.00 H new ATOM 1343 N ILE A 104 6.345 -9.298 7.099 1.00 0.00 N ATOM 1344 CA ILE A 104 5.837 -8.086 6.489 1.00 0.00 C ATOM 1345 C ILE A 104 6.892 -6.999 6.693 1.00 0.00 C ATOM 1346 O ILE A 104 6.898 -6.327 7.727 1.00 0.00 O ATOM 1347 CB ILE A 104 4.517 -7.615 7.157 1.00 0.00 C ATOM 1348 CG1 ILE A 104 3.658 -8.797 7.635 1.00 0.00 C ATOM 1349 CG2 ILE A 104 3.724 -6.719 6.213 1.00 0.00 C ATOM 1350 CD1 ILE A 104 3.059 -9.648 6.538 1.00 0.00 C ATOM 0 H ILE A 104 6.355 -9.276 8.119 1.00 0.00 H new ATOM 0 HA ILE A 104 5.633 -8.276 5.435 1.00 0.00 H new ATOM 0 HB ILE A 104 4.790 -7.036 8.039 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.270 -9.435 8.273 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.849 -8.409 8.254 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.803 -6.401 6.701 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.320 -5.843 5.956 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.481 -7.271 5.305 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.473 -10.453 6.981 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.414 -9.032 5.911 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.858 -10.073 5.930 1.00 0.00 H new ATOM 1362 N ASP A 105 7.786 -6.834 5.728 1.00 0.00 N ATOM 1363 CA ASP A 105 8.910 -5.917 5.874 1.00 0.00 C ATOM 1364 C ASP A 105 8.471 -4.478 5.654 1.00 0.00 C ATOM 1365 O ASP A 105 8.392 -4.016 4.520 1.00 0.00 O ATOM 1366 CB ASP A 105 10.013 -6.264 4.868 1.00 0.00 C ATOM 1367 CG ASP A 105 10.792 -7.515 5.219 1.00 0.00 C ATOM 1368 OD1 ASP A 105 10.269 -8.633 5.028 1.00 0.00 O ATOM 1369 OD2 ASP A 105 11.946 -7.383 5.680 1.00 0.00 O ATOM 0 H ASP A 105 7.755 -7.324 4.834 1.00 0.00 H new ATOM 0 HA ASP A 105 9.293 -6.020 6.889 1.00 0.00 H new ATOM 0 HB2 ASP A 105 9.565 -6.391 3.882 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.705 -5.425 4.798 1.00 0.00 H new ATOM 1374 N ASN A 106 8.186 -3.764 6.728 1.00 0.00 N ATOM 1375 CA ASN A 106 7.812 -2.373 6.618 1.00 0.00 C ATOM 1376 C ASN A 106 8.890 -1.484 7.213 1.00 0.00 C ATOM 1377 O ASN A 106 9.093 -1.433 8.426 1.00 0.00 O ATOM 1378 CB ASN A 106 6.450 -2.120 7.267 1.00 0.00 C ATOM 1379 CG ASN A 106 6.361 -2.536 8.726 1.00 0.00 C ATOM 1380 OD1 ASN A 106 6.609 -1.737 9.628 1.00 0.00 O ATOM 1381 ND2 ASN A 106 5.997 -3.788 8.968 1.00 0.00 N ATOM 0 H ASN A 106 8.207 -4.126 7.681 1.00 0.00 H new ATOM 0 HA ASN A 106 7.719 -2.122 5.561 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.216 -1.058 7.190 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.687 -2.656 6.702 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.914 -4.118 9.929 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.800 -4.421 8.193 1.00 0.00 H new ATOM 1388 N LYS A 107 9.605 -0.811 6.337 1.00 0.00 N ATOM 1389 CA LYS A 107 10.692 0.061 6.740 1.00 0.00 C ATOM 1390 C LYS A 107 10.801 1.227 5.756 1.00 0.00 C ATOM 1391 O LYS A 107 10.172 1.195 4.702 1.00 0.00 O ATOM 1392 CB LYS A 107 12.009 -0.727 6.791 1.00 0.00 C ATOM 1393 CG LYS A 107 12.679 -0.897 5.442 1.00 0.00 C ATOM 1394 CD LYS A 107 12.079 -2.035 4.628 1.00 0.00 C ATOM 1395 CE LYS A 107 12.810 -2.203 3.304 1.00 0.00 C ATOM 1396 NZ LYS A 107 12.352 -3.404 2.554 1.00 0.00 N ATOM 0 H LYS A 107 9.452 -0.851 5.329 1.00 0.00 H new ATOM 0 HA LYS A 107 10.491 0.456 7.736 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.698 -0.219 7.466 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.815 -1.712 7.215 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.593 0.032 4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 107 13.743 -1.083 5.590 1.00 0.00 H new ATOM 0 HD2 LYS A 107 12.134 -2.963 5.198 1.00 0.00 H new ATOM 0 HD3 LYS A 107 11.023 -1.837 4.442 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.656 -1.315 2.691 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.881 -2.280 3.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 12.988 -3.573 1.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 12.363 -4.232 3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.385 -3.247 2.205 1.00 0.00 H new