USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=22 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 81:sc= 0.376 USER MOD Set 1.2: A 103 ASN : amide:sc= -0.0408 K(o=0.34,f=-5.7!) USER MOD Set 2.1: A 90 THR OG1 : rot -29:sc= 1.32 USER MOD Set 2.2: A 107 LYS NZ :NH3+ -150:sc=-0.00122 (180deg=-0.745) USER MOD Set 3.1: A 52 GLN :FLIP amide:sc= -0.193 F(o=-1.3!,f=-0.4) USER MOD Set 3.2: A 71 ASN :FLIP amide:sc= -0.209 F(o=-2.4!,f=-0.4) USER MOD Set 4.1: A 39 THR OG1 : rot -80:sc= 0.865 USER MOD Set 4.2: A 41 ASN : amide:sc= -0.516 X(o=0.35,f=0.14!) USER MOD Single : A 44 SER OG : rot -33:sc= 0.0135 USER MOD Single : A 45 LYS NZ :NH3+ -138:sc= 0.172 (180deg=0) USER MOD Single : A 50 MET CE :methyl -132:sc= -7.39! (180deg=-11.3!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.197 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.0197 F(o=-1.2,f=-0.02) USER MOD Single : A 54 GLN : amide:sc= -0.0467 X(o=-0.047,f=-0.42) 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 -135:sc= -0.338 (180deg=-3.65!) USER MOD Single : A 65 SER OG : rot 12:sc= 0.775 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 146:sc= 1.09 USER MOD Single : A 92 THR OG1 : rot -102:sc= -1.74! USER MOD Single : A 94 THR OG1 : rot 119:sc= 1.29 USER MOD Single : A 96 ASN : amide:sc= -2.13! C(o=-2.1!,f=-9.4!) USER MOD Single : A 97 SER OG : rot 180:sc= 0.00776 USER MOD Single : A 98 SER OG : rot -28:sc= 0.231 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 334 N LEU A 38 -2.354 0.821 -2.328 1.00 0.00 N ATOM 335 CA LEU A 38 -2.429 0.311 -0.969 1.00 0.00 C ATOM 336 C LEU A 38 -1.943 1.363 0.011 1.00 0.00 C ATOM 337 O LEU A 38 -1.118 2.211 -0.326 1.00 0.00 O ATOM 338 CB LEU A 38 -1.596 -0.957 -0.791 1.00 0.00 C ATOM 339 CG LEU A 38 -1.878 -1.713 0.504 1.00 0.00 C ATOM 340 CD1 LEU A 38 -2.968 -2.737 0.273 1.00 0.00 C ATOM 341 CD2 LEU A 38 -0.628 -2.368 1.061 1.00 0.00 C ATOM 0 HA LEU A 38 -3.473 0.067 -0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.782 -1.622 -1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.539 -0.691 -0.821 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.217 -0.993 1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.165 -3.274 1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.877 -2.233 -0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.648 -3.443 -0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.873 -2.895 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.233 -3.076 0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.121 -1.604 1.269 1.00 0.00 H new ATOM 353 N THR A 39 -2.482 1.317 1.213 1.00 0.00 N ATOM 354 CA THR A 39 -2.093 2.236 2.260 1.00 0.00 C ATOM 355 C THR A 39 -1.730 1.499 3.549 1.00 0.00 C ATOM 356 O THR A 39 -1.710 0.269 3.590 1.00 0.00 O ATOM 357 CB THR A 39 -3.211 3.244 2.559 1.00 0.00 C ATOM 358 OG1 THR A 39 -4.322 2.566 3.142 1.00 0.00 O ATOM 359 CG2 THR A 39 -3.663 3.935 1.290 1.00 0.00 C ATOM 0 H THR A 39 -3.198 0.645 1.489 1.00 0.00 H new ATOM 0 HA THR A 39 -1.214 2.769 1.897 1.00 0.00 H new ATOM 0 HB THR A 39 -2.824 3.993 3.250 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.847 2.133 2.437 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.456 4.645 1.525 1.00 0.00 H new ATOM 0 HG22 THR A 39 -2.821 4.465 0.845 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.038 3.193 0.585 1.00 0.00 H new ATOM 367 N ALA A 40 -1.474 2.263 4.600 1.00 0.00 N ATOM 368 CA ALA A 40 -1.123 1.708 5.905 1.00 0.00 C ATOM 369 C ALA A 40 -2.291 0.940 6.515 1.00 0.00 C ATOM 370 O ALA A 40 -2.126 -0.176 7.006 1.00 0.00 O ATOM 371 CB ALA A 40 -0.690 2.822 6.842 1.00 0.00 C ATOM 0 H ALA A 40 -1.503 3.282 4.576 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.298 1.010 5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.430 2.400 7.813 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.178 3.332 6.424 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.507 3.534 6.963 1.00 0.00 H new ATOM 377 N ASN A 41 -3.472 1.539 6.474 1.00 0.00 N ATOM 378 CA ASN A 41 -4.670 0.905 7.011 1.00 0.00 C ATOM 379 C ASN A 41 -5.008 -0.369 6.246 1.00 0.00 C ATOM 380 O ASN A 41 -5.606 -1.294 6.796 1.00 0.00 O ATOM 381 CB ASN A 41 -5.852 1.873 7.008 1.00 0.00 C ATOM 382 CG ASN A 41 -5.806 2.871 5.869 1.00 0.00 C ATOM 383 OD1 ASN A 41 -5.140 3.900 5.964 1.00 0.00 O ATOM 384 ND2 ASN A 41 -6.527 2.599 4.801 1.00 0.00 N ATOM 0 H ASN A 41 -3.628 2.464 6.074 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.464 0.629 8.045 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.779 1.303 6.946 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.873 2.413 7.955 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.545 3.252 4.018 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.067 1.735 4.757 1.00 0.00 H new ATOM 391 N ASP A 42 -4.609 -0.420 4.984 1.00 0.00 N ATOM 392 CA ASP A 42 -4.749 -1.639 4.193 1.00 0.00 C ATOM 393 C ASP A 42 -3.770 -2.700 4.674 1.00 0.00 C ATOM 394 O ASP A 42 -4.088 -3.884 4.691 1.00 0.00 O ATOM 395 CB ASP A 42 -4.515 -1.381 2.705 1.00 0.00 C ATOM 396 CG ASP A 42 -5.627 -0.601 2.043 1.00 0.00 C ATOM 397 OD1 ASP A 42 -6.659 -1.213 1.702 1.00 0.00 O ATOM 398 OD2 ASP A 42 -5.464 0.623 1.844 1.00 0.00 O ATOM 0 H ASP A 42 -4.187 0.363 4.485 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.772 -1.991 4.326 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.578 -0.837 2.582 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.398 -2.336 2.193 1.00 0.00 H new ATOM 403 N VAL A 43 -2.576 -2.270 5.060 1.00 0.00 N ATOM 404 CA VAL A 43 -1.568 -3.177 5.607 1.00 0.00 C ATOM 405 C VAL A 43 -2.088 -3.870 6.865 1.00 0.00 C ATOM 406 O VAL A 43 -1.824 -5.047 7.099 1.00 0.00 O ATOM 407 CB VAL A 43 -0.254 -2.432 5.936 1.00 0.00 C ATOM 408 CG1 VAL A 43 0.703 -3.332 6.688 1.00 0.00 C ATOM 409 CG2 VAL A 43 0.413 -1.946 4.676 1.00 0.00 C ATOM 0 H VAL A 43 -2.278 -1.296 5.005 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.360 -3.926 4.842 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.509 -1.577 6.563 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.620 -2.785 6.908 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.241 -3.656 7.621 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.938 -4.204 6.078 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.336 -1.425 4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.642 -2.797 4.034 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.256 -1.264 4.150 1.00 0.00 H new ATOM 419 N SER A 44 -2.846 -3.136 7.659 1.00 0.00 N ATOM 420 CA SER A 44 -3.436 -3.680 8.873 1.00 0.00 C ATOM 421 C SER A 44 -4.449 -4.784 8.548 1.00 0.00 C ATOM 422 O SER A 44 -4.847 -5.562 9.418 1.00 0.00 O ATOM 423 CB SER A 44 -4.098 -2.557 9.658 1.00 0.00 C ATOM 424 OG SER A 44 -4.505 -2.990 10.944 1.00 0.00 O ATOM 0 H SER A 44 -3.070 -2.156 7.485 1.00 0.00 H new ATOM 0 HA SER A 44 -2.648 -4.127 9.479 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.403 -1.723 9.757 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.963 -2.188 9.107 1.00 0.00 H new ATOM 0 HG SER A 44 -4.767 -3.934 10.904 1.00 0.00 H new ATOM 430 N LYS A 45 -4.849 -4.846 7.285 1.00 0.00 N ATOM 431 CA LYS A 45 -5.812 -5.836 6.819 1.00 0.00 C ATOM 432 C LYS A 45 -5.161 -7.189 6.531 1.00 0.00 C ATOM 433 O LYS A 45 -5.861 -8.162 6.249 1.00 0.00 O ATOM 434 CB LYS A 45 -6.498 -5.331 5.563 1.00 0.00 C ATOM 435 CG LYS A 45 -7.357 -4.102 5.791 1.00 0.00 C ATOM 436 CD LYS A 45 -7.920 -3.591 4.483 1.00 0.00 C ATOM 437 CE LYS A 45 -8.764 -4.655 3.814 1.00 0.00 C ATOM 438 NZ LYS A 45 -9.051 -4.325 2.393 1.00 0.00 N ATOM 0 H LYS A 45 -4.517 -4.214 6.557 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.540 -5.982 7.617 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.741 -5.101 4.814 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.120 -6.127 5.154 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.172 -4.344 6.473 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.764 -3.321 6.267 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.523 -2.701 4.663 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.106 -3.296 3.821 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.248 -5.614 3.867 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.702 -4.768 4.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.044 -4.549 2.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.881 -3.312 2.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.429 -4.883 1.774 1.00 0.00 H new ATOM 452 N ILE A 46 -3.834 -7.254 6.560 1.00 0.00 N ATOM 453 CA ILE A 46 -3.146 -8.512 6.365 1.00 0.00 C ATOM 454 C ILE A 46 -2.439 -8.975 7.619 1.00 0.00 C ATOM 455 O ILE A 46 -2.446 -8.304 8.651 1.00 0.00 O ATOM 456 CB ILE A 46 -2.117 -8.465 5.228 1.00 0.00 C ATOM 457 CG1 ILE A 46 -1.085 -7.352 5.432 1.00 0.00 C ATOM 458 CG2 ILE A 46 -2.822 -8.337 3.901 1.00 0.00 C ATOM 459 CD1 ILE A 46 -0.057 -7.285 4.327 1.00 0.00 C ATOM 0 H ILE A 46 -3.222 -6.453 6.716 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.933 -9.218 6.100 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.560 -9.402 5.235 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.601 -6.394 5.498 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.577 -7.506 6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.085 -8.304 3.099 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.480 -9.194 3.754 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.412 -7.420 3.889 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.645 -6.476 4.531 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.484 -8.230 4.275 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.557 -7.100 3.376 1.00 0.00 H new ATOM 471 N ARG A 47 -1.823 -10.139 7.499 1.00 0.00 N ATOM 472 CA ARG A 47 -1.129 -10.780 8.601 1.00 0.00 C ATOM 473 C ARG A 47 -0.317 -11.945 8.077 1.00 0.00 C ATOM 474 O ARG A 47 -0.667 -12.558 7.067 1.00 0.00 O ATOM 475 CB ARG A 47 -2.117 -11.275 9.668 1.00 0.00 C ATOM 476 CG ARG A 47 -3.194 -12.219 9.135 1.00 0.00 C ATOM 477 CD ARG A 47 -4.420 -11.469 8.630 1.00 0.00 C ATOM 478 NE ARG A 47 -5.040 -10.673 9.687 1.00 0.00 N ATOM 479 CZ ARG A 47 -6.118 -9.914 9.516 1.00 0.00 C ATOM 480 NH1 ARG A 47 -6.723 -9.859 8.334 1.00 0.00 N ATOM 481 NH2 ARG A 47 -6.603 -9.214 10.532 1.00 0.00 N ATOM 0 H ARG A 47 -1.791 -10.669 6.628 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.469 -10.046 9.064 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.560 -11.784 10.454 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.600 -10.413 10.127 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.779 -12.820 8.326 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.492 -12.909 9.924 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.134 -10.818 7.804 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.146 -12.181 8.237 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.619 -10.702 10.615 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.361 -10.402 7.550 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.550 -9.274 8.211 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.149 -9.258 11.444 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.430 -8.631 10.401 1.00 0.00 H new ATOM 495 N VAL A 48 0.768 -12.237 8.765 1.00 0.00 N ATOM 496 CA VAL A 48 1.669 -13.294 8.366 1.00 0.00 C ATOM 497 C VAL A 48 1.035 -14.651 8.635 1.00 0.00 C ATOM 498 O VAL A 48 0.320 -14.820 9.622 1.00 0.00 O ATOM 499 CB VAL A 48 2.993 -13.196 9.130 1.00 0.00 C ATOM 500 CG1 VAL A 48 4.135 -13.700 8.277 1.00 0.00 C ATOM 501 CG2 VAL A 48 3.243 -11.769 9.567 1.00 0.00 C ATOM 0 H VAL A 48 1.048 -11.748 9.615 1.00 0.00 H new ATOM 0 HA VAL A 48 1.866 -13.186 7.299 1.00 0.00 H new ATOM 0 HB VAL A 48 2.928 -13.823 10.019 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.068 -13.623 8.836 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.957 -14.742 8.009 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.204 -13.099 7.370 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.187 -11.715 10.109 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.290 -11.123 8.690 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.432 -11.440 10.217 1.00 0.00 H new ATOM 511 N GLY A 49 1.298 -15.607 7.766 1.00 0.00 N ATOM 512 CA GLY A 49 0.701 -16.916 7.912 1.00 0.00 C ATOM 513 C GLY A 49 -0.160 -17.287 6.725 1.00 0.00 C ATOM 514 O GLY A 49 -0.308 -18.465 6.402 1.00 0.00 O ATOM 0 H GLY A 49 1.915 -15.503 6.960 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.488 -17.661 8.035 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.096 -16.939 8.819 1.00 0.00 H new ATOM 518 N MET A 50 -0.737 -16.286 6.067 1.00 0.00 N ATOM 519 CA MET A 50 -1.537 -16.548 4.880 1.00 0.00 C ATOM 520 C MET A 50 -0.683 -16.506 3.624 1.00 0.00 C ATOM 521 O MET A 50 0.505 -16.176 3.674 1.00 0.00 O ATOM 522 CB MET A 50 -2.734 -15.601 4.754 1.00 0.00 C ATOM 523 CG MET A 50 -2.415 -14.127 4.885 1.00 0.00 C ATOM 524 SD MET A 50 -3.898 -13.104 4.735 1.00 0.00 S ATOM 525 CE MET A 50 -3.191 -11.464 4.698 1.00 0.00 C ATOM 0 H MET A 50 -0.667 -15.303 6.331 1.00 0.00 H new ATOM 0 HA MET A 50 -1.939 -17.555 4.994 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.207 -15.768 3.786 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.466 -15.866 5.517 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.942 -13.942 5.849 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.697 -13.841 4.117 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.727 -10.821 5.396 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.140 -11.514 4.984 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.274 -11.055 3.691 1.00 0.00 H new ATOM 535 N THR A 51 -1.295 -16.837 2.501 1.00 0.00 N ATOM 536 CA THR A 51 -0.560 -17.037 1.266 1.00 0.00 C ATOM 537 C THR A 51 -0.464 -15.765 0.449 1.00 0.00 C ATOM 538 O THR A 51 -0.929 -14.699 0.866 1.00 0.00 O ATOM 539 CB THR A 51 -1.230 -18.102 0.384 1.00 0.00 C ATOM 540 OG1 THR A 51 -2.472 -17.612 -0.132 1.00 0.00 O ATOM 541 CG2 THR A 51 -1.486 -19.354 1.174 1.00 0.00 C ATOM 0 H THR A 51 -2.303 -16.973 2.419 1.00 0.00 H new ATOM 0 HA THR A 51 0.438 -17.360 1.564 1.00 0.00 H new ATOM 0 HB THR A 51 -0.557 -18.328 -0.443 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.887 -18.300 -0.693 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.961 -20.097 0.534 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.541 -19.748 1.548 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.142 -19.126 2.014 1.00 0.00 H new ATOM 549 N GLN A 52 0.135 -15.895 -0.723 1.00 0.00 N ATOM 550 CA GLN A 52 0.131 -14.827 -1.703 1.00 0.00 C ATOM 551 C GLN A 52 -1.300 -14.515 -2.116 1.00 0.00 C ATOM 552 O GLN A 52 -1.713 -13.358 -2.139 1.00 0.00 O ATOM 553 CB GLN A 52 0.940 -15.229 -2.932 1.00 0.00 C ATOM 554 CG GLN A 52 2.396 -15.523 -2.634 1.00 0.00 C ATOM 555 CD GLN A 52 3.157 -16.012 -3.853 1.00 0.00 C ATOM 556 OE1 GLN A 52 2.470 -16.700 -4.754 1.00 0.00 O flip ATOM 557 NE2 GLN A 52 4.355 -15.780 -3.978 1.00 0.00 N flip ATOM 0 H GLN A 52 0.632 -16.735 -1.018 1.00 0.00 H new ATOM 0 HA GLN A 52 0.584 -13.942 -1.257 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.485 -16.111 -3.383 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.884 -14.429 -3.670 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.873 -14.621 -2.251 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.457 -16.275 -1.847 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.849 -15.247 -3.262 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.858 -16.120 -4.798 1.00 0.00 H new ATOM 566 N GLN A 53 -2.060 -15.565 -2.411 1.00 0.00 N ATOM 567 CA GLN A 53 -3.436 -15.421 -2.842 1.00 0.00 C ATOM 568 C GLN A 53 -4.263 -14.689 -1.805 1.00 0.00 C ATOM 569 O GLN A 53 -5.134 -13.892 -2.147 1.00 0.00 O ATOM 570 CB GLN A 53 -4.027 -16.794 -3.100 1.00 0.00 C ATOM 571 CG GLN A 53 -4.384 -17.023 -4.548 1.00 0.00 C ATOM 572 CD GLN A 53 -5.852 -16.770 -4.840 1.00 0.00 C ATOM 573 OE1 GLN A 53 -6.488 -15.914 -4.044 1.00 0.00 O flip ATOM 574 NE2 GLN A 53 -6.421 -17.352 -5.763 1.00 0.00 N flip ATOM 0 H GLN A 53 -1.737 -16.531 -2.357 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.452 -14.832 -3.759 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.314 -17.555 -2.783 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.920 -16.919 -2.488 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.776 -16.371 -5.175 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.136 -18.049 -4.821 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.902 -18.002 -6.353 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.412 -17.185 -5.938 1.00 0.00 H new ATOM 583 N GLN A 54 -3.986 -14.966 -0.543 1.00 0.00 N ATOM 584 CA GLN A 54 -4.704 -14.323 0.537 1.00 0.00 C ATOM 585 C GLN A 54 -4.368 -12.839 0.581 1.00 0.00 C ATOM 586 O GLN A 54 -5.259 -11.990 0.541 1.00 0.00 O ATOM 587 CB GLN A 54 -4.350 -14.956 1.878 1.00 0.00 C ATOM 588 CG GLN A 54 -4.482 -16.467 1.920 1.00 0.00 C ATOM 589 CD GLN A 54 -5.613 -16.935 2.811 1.00 0.00 C ATOM 590 OE1 GLN A 54 -6.651 -16.278 2.922 1.00 0.00 O ATOM 591 NE2 GLN A 54 -5.397 -18.050 3.490 1.00 0.00 N ATOM 0 H GLN A 54 -3.271 -15.630 -0.244 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.771 -14.453 0.354 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.325 -14.687 2.132 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.992 -14.527 2.648 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.644 -16.841 0.909 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.546 -16.899 2.273 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.523 -18.561 3.366 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.104 -18.398 4.137 1.00 0.00 H new ATOM 600 N VAL A 55 -3.076 -12.532 0.654 1.00 0.00 N ATOM 601 CA VAL A 55 -2.623 -11.155 0.737 1.00 0.00 C ATOM 602 C VAL A 55 -3.016 -10.356 -0.494 1.00 0.00 C ATOM 603 O VAL A 55 -3.494 -9.238 -0.372 1.00 0.00 O ATOM 604 CB VAL A 55 -1.101 -11.073 0.918 1.00 0.00 C ATOM 605 CG1 VAL A 55 -0.638 -9.631 0.852 1.00 0.00 C ATOM 606 CG2 VAL A 55 -0.700 -11.692 2.236 1.00 0.00 C ATOM 0 H VAL A 55 -2.326 -13.223 0.657 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.113 -10.725 1.610 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.623 -11.627 0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.443 -9.590 0.982 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.903 -9.208 -0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.121 -9.057 1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.382 -11.628 2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.186 -11.157 3.052 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.006 -12.738 2.255 1.00 0.00 H new ATOM 616 N ALA A 56 -2.832 -10.931 -1.676 1.00 0.00 N ATOM 617 CA ALA A 56 -3.139 -10.221 -2.909 1.00 0.00 C ATOM 618 C ALA A 56 -4.595 -9.802 -2.920 1.00 0.00 C ATOM 619 O ALA A 56 -4.947 -8.751 -3.446 1.00 0.00 O ATOM 620 CB ALA A 56 -2.833 -11.075 -4.127 1.00 0.00 C ATOM 0 H ALA A 56 -2.475 -11.878 -1.806 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.509 -9.333 -2.952 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.073 -10.517 -5.032 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.775 -11.336 -4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.431 -11.985 -4.093 1.00 0.00 H new ATOM 626 N TYR A 57 -5.440 -10.635 -2.343 1.00 0.00 N ATOM 627 CA TYR A 57 -6.858 -10.349 -2.291 1.00 0.00 C ATOM 628 C TYR A 57 -7.215 -9.404 -1.143 1.00 0.00 C ATOM 629 O TYR A 57 -8.093 -8.552 -1.284 1.00 0.00 O ATOM 630 CB TYR A 57 -7.637 -11.648 -2.234 1.00 0.00 C ATOM 631 CG TYR A 57 -7.915 -12.171 -3.623 1.00 0.00 C ATOM 632 CD1 TYR A 57 -6.911 -12.180 -4.588 1.00 0.00 C ATOM 633 CD2 TYR A 57 -9.179 -12.608 -3.988 1.00 0.00 C ATOM 634 CE1 TYR A 57 -7.159 -12.616 -5.866 1.00 0.00 C ATOM 635 CE2 TYR A 57 -9.437 -13.043 -5.274 1.00 0.00 C ATOM 636 CZ TYR A 57 -8.420 -13.045 -6.210 1.00 0.00 C ATOM 637 OH TYR A 57 -8.671 -13.469 -7.492 1.00 0.00 O ATOM 0 H TYR A 57 -5.168 -11.515 -1.904 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.139 -9.820 -3.202 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.074 -12.390 -1.668 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.577 -11.490 -1.706 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.920 -11.838 -4.327 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -9.974 -12.608 -3.257 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.366 -12.622 -6.599 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -10.427 -13.379 -5.546 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.610 -13.740 -7.569 1.00 0.00 H new ATOM 647 N ALA A 58 -6.529 -9.557 -0.012 1.00 0.00 N ATOM 648 CA ALA A 58 -6.728 -8.687 1.146 1.00 0.00 C ATOM 649 C ALA A 58 -6.233 -7.281 0.862 1.00 0.00 C ATOM 650 O ALA A 58 -6.872 -6.286 1.208 1.00 0.00 O ATOM 651 CB ALA A 58 -5.979 -9.239 2.345 1.00 0.00 C ATOM 0 H ALA A 58 -5.825 -10.282 0.128 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.797 -8.651 1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.133 -8.585 3.203 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.351 -10.237 2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.915 -9.293 2.116 1.00 0.00 H new ATOM 657 N LEU A 59 -5.074 -7.231 0.240 1.00 0.00 N ATOM 658 CA LEU A 59 -4.357 -6.001 -0.003 1.00 0.00 C ATOM 659 C LEU A 59 -4.766 -5.380 -1.326 1.00 0.00 C ATOM 660 O LEU A 59 -5.212 -4.232 -1.387 1.00 0.00 O ATOM 661 CB LEU A 59 -2.858 -6.320 0.005 1.00 0.00 C ATOM 662 CG LEU A 59 -2.034 -5.562 1.024 1.00 0.00 C ATOM 663 CD1 LEU A 59 -2.802 -5.440 2.317 1.00 0.00 C ATOM 664 CD2 LEU A 59 -0.735 -6.281 1.261 1.00 0.00 C ATOM 0 H LEU A 59 -4.597 -8.059 -0.116 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.594 -5.276 0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.733 -7.388 0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.456 -6.114 -0.987 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.823 -4.562 0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.203 -4.894 3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.734 -4.904 2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.025 -6.435 2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.144 -5.733 1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.938 -7.285 1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.180 -6.348 0.325 1.00 0.00 H new ATOM 676 N GLY A 60 -4.652 -6.169 -2.373 1.00 0.00 N ATOM 677 CA GLY A 60 -4.866 -5.678 -3.710 1.00 0.00 C ATOM 678 C GLY A 60 -3.688 -6.015 -4.584 1.00 0.00 C ATOM 679 O GLY A 60 -2.564 -5.600 -4.300 1.00 0.00 O ATOM 0 H GLY A 60 -4.411 -7.159 -2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.773 -6.117 -4.125 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.015 -4.598 -3.689 1.00 0.00 H new ATOM 683 N THR A 61 -3.934 -6.793 -5.626 1.00 0.00 N ATOM 684 CA THR A 61 -2.874 -7.252 -6.505 1.00 0.00 C ATOM 685 C THR A 61 -2.074 -6.076 -7.064 1.00 0.00 C ATOM 686 O THR A 61 -2.640 -5.107 -7.577 1.00 0.00 O ATOM 687 CB THR A 61 -3.435 -8.120 -7.642 1.00 0.00 C ATOM 688 OG1 THR A 61 -4.507 -7.438 -8.305 1.00 0.00 O ATOM 689 CG2 THR A 61 -3.940 -9.447 -7.091 1.00 0.00 C ATOM 0 H THR A 61 -4.865 -7.121 -5.883 1.00 0.00 H new ATOM 0 HA THR A 61 -2.197 -7.868 -5.913 1.00 0.00 H new ATOM 0 HB THR A 61 -2.635 -8.310 -8.358 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.855 -8.000 -9.028 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.335 -10.053 -7.906 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.118 -9.977 -6.610 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.729 -9.262 -6.362 1.00 0.00 H new ATOM 697 N PRO A 62 -0.738 -6.170 -6.963 1.00 0.00 N ATOM 698 CA PRO A 62 0.183 -5.059 -7.232 1.00 0.00 C ATOM 699 C PRO A 62 0.178 -4.593 -8.680 1.00 0.00 C ATOM 700 O PRO A 62 -0.426 -5.233 -9.537 1.00 0.00 O ATOM 701 CB PRO A 62 1.565 -5.621 -6.862 1.00 0.00 C ATOM 702 CG PRO A 62 1.292 -6.857 -6.076 1.00 0.00 C ATOM 703 CD PRO A 62 -0.013 -7.388 -6.590 1.00 0.00 C ATOM 0 HA PRO A 62 -0.107 -4.177 -6.661 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.150 -5.844 -7.754 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.138 -4.902 -6.277 1.00 0.00 H new ATOM 0 HG2 PRO A 62 2.090 -7.588 -6.207 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.232 -6.637 -5.010 1.00 0.00 H new ATOM 0 HD2 PRO A 62 0.129 -8.051 -7.443 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.545 -7.958 -5.828 1.00 0.00 H new ATOM 711 N LEU A 63 0.873 -3.498 -8.932 1.00 0.00 N ATOM 712 CA LEU A 63 0.872 -2.822 -10.229 1.00 0.00 C ATOM 713 C LEU A 63 1.136 -3.792 -11.376 1.00 0.00 C ATOM 714 O LEU A 63 0.456 -3.755 -12.405 1.00 0.00 O ATOM 715 CB LEU A 63 1.951 -1.748 -10.209 1.00 0.00 C ATOM 716 CG LEU A 63 2.022 -0.954 -8.909 1.00 0.00 C ATOM 717 CD1 LEU A 63 3.418 -0.389 -8.727 1.00 0.00 C ATOM 718 CD2 LEU A 63 0.984 0.159 -8.897 1.00 0.00 C ATOM 0 H LEU A 63 1.464 -3.043 -8.236 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.112 -2.384 -10.394 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.918 -2.218 -10.387 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.775 -1.057 -11.034 1.00 0.00 H new ATOM 0 HG LEU A 63 1.802 -1.623 -8.077 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.463 0.177 -7.797 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.139 -1.206 -8.690 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.657 0.268 -9.563 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.054 0.711 -7.960 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.167 0.836 -9.732 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.013 -0.272 -8.991 1.00 0.00 H new ATOM 730 N MET A 64 2.105 -4.682 -11.169 1.00 0.00 N ATOM 731 CA MET A 64 2.499 -5.670 -12.178 1.00 0.00 C ATOM 732 C MET A 64 1.365 -6.645 -12.512 1.00 0.00 C ATOM 733 O MET A 64 1.528 -7.514 -13.365 1.00 0.00 O ATOM 734 CB MET A 64 3.728 -6.447 -11.700 1.00 0.00 C ATOM 735 CG MET A 64 3.611 -6.950 -10.272 1.00 0.00 C ATOM 736 SD MET A 64 5.098 -7.790 -9.707 1.00 0.00 S ATOM 737 CE MET A 64 4.674 -8.027 -7.987 1.00 0.00 C ATOM 0 H MET A 64 2.639 -4.741 -10.302 1.00 0.00 H new ATOM 0 HA MET A 64 2.739 -5.123 -13.090 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.891 -7.296 -12.363 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.606 -5.807 -11.780 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.401 -6.109 -9.611 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.764 -7.632 -10.200 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.527 -7.762 -7.362 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.825 -7.393 -7.731 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.411 -9.071 -7.818 1.00 0.00 H new ATOM 747 N SER A 65 0.240 -6.505 -11.802 1.00 0.00 N ATOM 748 CA SER A 65 -1.000 -7.266 -12.039 1.00 0.00 C ATOM 749 C SER A 65 -0.821 -8.782 -11.907 1.00 0.00 C ATOM 750 O SER A 65 -1.765 -9.547 -12.114 1.00 0.00 O ATOM 751 CB SER A 65 -1.637 -6.898 -13.395 1.00 0.00 C ATOM 752 OG SER A 65 -0.755 -7.117 -14.484 1.00 0.00 O ATOM 0 H SER A 65 0.161 -5.845 -11.028 1.00 0.00 H new ATOM 0 HA SER A 65 -1.685 -6.971 -11.244 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.542 -7.488 -13.540 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.938 -5.850 -13.380 1.00 0.00 H new ATOM 0 HG SER A 65 0.018 -7.637 -14.179 1.00 0.00 H new ATOM 758 N ASP A 66 0.378 -9.208 -11.539 1.00 0.00 N ATOM 759 CA ASP A 66 0.658 -10.612 -11.288 1.00 0.00 C ATOM 760 C ASP A 66 1.489 -10.754 -10.031 1.00 0.00 C ATOM 761 O ASP A 66 2.717 -10.722 -10.072 1.00 0.00 O ATOM 762 CB ASP A 66 1.389 -11.271 -12.456 1.00 0.00 C ATOM 763 CG ASP A 66 0.499 -11.508 -13.655 1.00 0.00 C ATOM 764 OD1 ASP A 66 -0.229 -12.523 -13.662 1.00 0.00 O ATOM 765 OD2 ASP A 66 0.525 -10.691 -14.602 1.00 0.00 O ATOM 0 H ASP A 66 1.181 -8.592 -11.407 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.300 -11.118 -11.165 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.228 -10.642 -12.753 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.805 -12.223 -12.126 1.00 0.00 H new ATOM 770 N PRO A 67 0.818 -10.895 -8.892 1.00 0.00 N ATOM 771 CA PRO A 67 1.476 -11.026 -7.597 1.00 0.00 C ATOM 772 C PRO A 67 2.095 -12.407 -7.404 1.00 0.00 C ATOM 773 O PRO A 67 3.138 -12.551 -6.771 1.00 0.00 O ATOM 774 CB PRO A 67 0.328 -10.816 -6.610 1.00 0.00 C ATOM 775 CG PRO A 67 -0.888 -11.280 -7.340 1.00 0.00 C ATOM 776 CD PRO A 67 -0.649 -10.938 -8.786 1.00 0.00 C ATOM 0 HA PRO A 67 2.301 -10.324 -7.477 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.483 -11.388 -5.695 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.241 -9.769 -6.321 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.037 -12.352 -7.211 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.783 -10.786 -6.963 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.078 -11.687 -9.452 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.099 -9.981 -9.052 1.00 0.00 H new ATOM 784 N PHE A 68 1.461 -13.411 -7.996 1.00 0.00 N ATOM 785 CA PHE A 68 1.815 -14.801 -7.763 1.00 0.00 C ATOM 786 C PHE A 68 3.065 -15.215 -8.535 1.00 0.00 C ATOM 787 O PHE A 68 3.426 -16.394 -8.556 1.00 0.00 O ATOM 788 CB PHE A 68 0.644 -15.694 -8.172 1.00 0.00 C ATOM 789 CG PHE A 68 -0.687 -15.234 -7.643 1.00 0.00 C ATOM 790 CD1 PHE A 68 -0.836 -14.886 -6.312 1.00 0.00 C ATOM 791 CD2 PHE A 68 -1.785 -15.136 -8.484 1.00 0.00 C ATOM 792 CE1 PHE A 68 -2.053 -14.453 -5.827 1.00 0.00 C ATOM 793 CE2 PHE A 68 -3.005 -14.701 -8.003 1.00 0.00 C ATOM 794 CZ PHE A 68 -3.139 -14.360 -6.673 1.00 0.00 C ATOM 0 H PHE A 68 0.689 -13.283 -8.650 1.00 0.00 H new ATOM 0 HA PHE A 68 2.032 -14.916 -6.701 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.596 -15.738 -9.260 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.833 -16.708 -7.820 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.011 -14.954 -5.645 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.686 -15.402 -9.526 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.156 -14.187 -4.785 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.853 -14.628 -8.668 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.092 -14.021 -6.295 1.00 0.00 H new ATOM 804 N GLY A 69 3.724 -14.256 -9.167 1.00 0.00 N ATOM 805 CA GLY A 69 4.898 -14.568 -9.955 1.00 0.00 C ATOM 806 C GLY A 69 6.180 -14.261 -9.212 1.00 0.00 C ATOM 807 O GLY A 69 7.244 -14.782 -9.542 1.00 0.00 O ATOM 0 H GLY A 69 3.468 -13.269 -9.149 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.881 -15.623 -10.228 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.873 -13.998 -10.884 1.00 0.00 H new ATOM 811 N THR A 70 6.073 -13.419 -8.199 1.00 0.00 N ATOM 812 CA THR A 70 7.228 -12.997 -7.432 1.00 0.00 C ATOM 813 C THR A 70 7.011 -13.298 -5.952 1.00 0.00 C ATOM 814 O THR A 70 5.889 -13.569 -5.523 1.00 0.00 O ATOM 815 CB THR A 70 7.487 -11.489 -7.629 1.00 0.00 C ATOM 816 OG1 THR A 70 8.822 -11.159 -7.236 1.00 0.00 O ATOM 817 CG2 THR A 70 6.507 -10.667 -6.820 1.00 0.00 C ATOM 0 H THR A 70 5.191 -13.013 -7.888 1.00 0.00 H new ATOM 0 HA THR A 70 8.099 -13.549 -7.785 1.00 0.00 H new ATOM 0 HB THR A 70 7.354 -11.259 -8.686 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.974 -10.200 -7.367 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.708 -9.607 -6.974 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.490 -10.894 -7.140 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.616 -10.907 -5.762 1.00 0.00 H new ATOM 825 N ASN A 71 8.082 -13.243 -5.179 1.00 0.00 N ATOM 826 CA ASN A 71 8.016 -13.548 -3.753 1.00 0.00 C ATOM 827 C ASN A 71 8.407 -12.327 -2.933 1.00 0.00 C ATOM 828 O ASN A 71 8.661 -12.418 -1.732 1.00 0.00 O ATOM 829 CB ASN A 71 8.925 -14.733 -3.406 1.00 0.00 C ATOM 830 CG ASN A 71 8.447 -16.047 -4.011 1.00 0.00 C ATOM 831 OD1 ASN A 71 7.139 -16.200 -4.161 1.00 0.00 O flip ATOM 832 ND2 ASN A 71 9.248 -16.920 -4.341 1.00 0.00 N flip ATOM 0 H ASN A 71 9.012 -12.990 -5.513 1.00 0.00 H new ATOM 0 HA ASN A 71 6.989 -13.821 -3.510 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.935 -14.524 -3.757 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.980 -14.837 -2.322 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.248 -16.769 -4.212 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.912 -17.795 -4.744 1.00 0.00 H new ATOM 839 N THR A 72 8.468 -11.185 -3.600 1.00 0.00 N ATOM 840 CA THR A 72 8.792 -9.930 -2.956 1.00 0.00 C ATOM 841 C THR A 72 7.862 -8.830 -3.462 1.00 0.00 C ATOM 842 O THR A 72 7.983 -8.370 -4.597 1.00 0.00 O ATOM 843 CB THR A 72 10.253 -9.540 -3.226 1.00 0.00 C ATOM 844 OG1 THR A 72 11.120 -10.629 -2.878 1.00 0.00 O ATOM 845 CG2 THR A 72 10.632 -8.314 -2.425 1.00 0.00 C ATOM 0 H THR A 72 8.294 -11.106 -4.602 1.00 0.00 H new ATOM 0 HA THR A 72 8.659 -10.051 -1.881 1.00 0.00 H new ATOM 0 HB THR A 72 10.361 -9.313 -4.287 1.00 0.00 H new ATOM 0 HG1 THR A 72 12.050 -10.376 -3.054 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.670 -8.053 -2.629 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.986 -7.482 -2.706 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.513 -8.523 -1.362 1.00 0.00 H new ATOM 853 N TRP A 73 6.930 -8.420 -2.616 1.00 0.00 N ATOM 854 CA TRP A 73 5.895 -7.473 -3.018 1.00 0.00 C ATOM 855 C TRP A 73 6.186 -6.084 -2.473 1.00 0.00 C ATOM 856 O TRP A 73 6.757 -5.951 -1.396 1.00 0.00 O ATOM 857 CB TRP A 73 4.529 -7.948 -2.518 1.00 0.00 C ATOM 858 CG TRP A 73 4.045 -9.194 -3.194 1.00 0.00 C ATOM 859 CD1 TRP A 73 4.676 -9.894 -4.179 1.00 0.00 C ATOM 860 CD2 TRP A 73 2.821 -9.885 -2.938 1.00 0.00 C ATOM 861 NE1 TRP A 73 3.923 -10.978 -4.548 1.00 0.00 N ATOM 862 CE2 TRP A 73 2.781 -10.998 -3.799 1.00 0.00 C ATOM 863 CE3 TRP A 73 1.757 -9.677 -2.062 1.00 0.00 C ATOM 864 CZ2 TRP A 73 1.717 -11.891 -3.809 1.00 0.00 C ATOM 865 CZ3 TRP A 73 0.703 -10.564 -2.075 1.00 0.00 C ATOM 866 CH2 TRP A 73 0.691 -11.661 -2.941 1.00 0.00 C ATOM 0 H TRP A 73 6.867 -8.727 -1.645 1.00 0.00 H new ATOM 0 HA TRP A 73 5.886 -7.421 -4.107 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.586 -8.126 -1.444 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.799 -7.154 -2.672 1.00 0.00 H new ATOM 0 HD1 TRP A 73 5.632 -9.632 -4.607 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.174 -11.659 -5.265 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.759 -8.835 -1.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 1.703 -12.737 -4.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.129 -10.409 -1.404 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -0.148 -12.340 -2.922 1.00 0.00 H new ATOM 877 N PHE A 74 5.802 -5.056 -3.223 1.00 0.00 N ATOM 878 CA PHE A 74 5.973 -3.677 -2.775 1.00 0.00 C ATOM 879 C PHE A 74 4.644 -2.935 -2.793 1.00 0.00 C ATOM 880 O PHE A 74 3.954 -2.893 -3.811 1.00 0.00 O ATOM 881 CB PHE A 74 7.001 -2.926 -3.634 1.00 0.00 C ATOM 882 CG PHE A 74 8.429 -3.275 -3.319 1.00 0.00 C ATOM 883 CD1 PHE A 74 8.964 -4.497 -3.690 1.00 0.00 C ATOM 884 CD2 PHE A 74 9.241 -2.368 -2.652 1.00 0.00 C ATOM 885 CE1 PHE A 74 10.278 -4.811 -3.401 1.00 0.00 C ATOM 886 CE2 PHE A 74 10.556 -2.675 -2.363 1.00 0.00 C ATOM 887 CZ PHE A 74 11.076 -3.899 -2.736 1.00 0.00 C ATOM 0 H PHE A 74 5.371 -5.151 -4.143 1.00 0.00 H new ATOM 0 HA PHE A 74 6.347 -3.714 -1.752 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.808 -3.141 -4.685 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.861 -1.854 -3.497 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.347 -5.213 -4.212 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.839 -1.410 -2.355 1.00 0.00 H new ATOM 0 HE1 PHE A 74 10.682 -5.769 -3.695 1.00 0.00 H new ATOM 0 HE2 PHE A 74 11.177 -1.959 -1.846 1.00 0.00 H new ATOM 0 HZ PHE A 74 12.103 -4.143 -2.509 1.00 0.00 H new ATOM 897 N TYR A 75 4.290 -2.372 -1.650 1.00 0.00 N ATOM 898 CA TYR A 75 3.065 -1.595 -1.504 1.00 0.00 C ATOM 899 C TYR A 75 3.378 -0.264 -0.842 1.00 0.00 C ATOM 900 O TYR A 75 4.501 -0.048 -0.390 1.00 0.00 O ATOM 901 CB TYR A 75 2.056 -2.361 -0.660 1.00 0.00 C ATOM 902 CG TYR A 75 1.578 -3.650 -1.273 1.00 0.00 C ATOM 903 CD1 TYR A 75 0.718 -3.651 -2.358 1.00 0.00 C ATOM 904 CD2 TYR A 75 1.981 -4.861 -0.747 1.00 0.00 C ATOM 905 CE1 TYR A 75 0.268 -4.832 -2.907 1.00 0.00 C ATOM 906 CE2 TYR A 75 1.543 -6.053 -1.288 1.00 0.00 C ATOM 907 CZ TYR A 75 0.683 -6.031 -2.370 1.00 0.00 C ATOM 908 OH TYR A 75 0.234 -7.208 -2.916 1.00 0.00 O ATOM 0 H TYR A 75 4.842 -2.439 -0.795 1.00 0.00 H new ATOM 0 HA TYR A 75 2.640 -1.417 -2.492 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.504 -2.579 0.310 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.194 -1.720 -0.476 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.395 -2.711 -2.781 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.649 -4.876 0.101 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -0.405 -4.818 -3.752 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.869 -6.994 -0.870 1.00 0.00 H new ATOM 0 HH TYR A 75 0.938 -7.887 -2.853 1.00 0.00 H new ATOM 918 N VAL A 76 2.386 0.616 -0.760 1.00 0.00 N ATOM 919 CA VAL A 76 2.610 1.959 -0.242 1.00 0.00 C ATOM 920 C VAL A 76 1.893 2.130 1.093 1.00 0.00 C ATOM 921 O VAL A 76 0.970 1.383 1.416 1.00 0.00 O ATOM 922 CB VAL A 76 2.122 3.040 -1.243 1.00 0.00 C ATOM 923 CG1 VAL A 76 2.584 4.436 -0.834 1.00 0.00 C ATOM 924 CG2 VAL A 76 2.596 2.718 -2.654 1.00 0.00 C ATOM 0 H VAL A 76 1.425 0.425 -1.044 1.00 0.00 H new ATOM 0 HA VAL A 76 3.683 2.088 -0.099 1.00 0.00 H new ATOM 0 HB VAL A 76 1.032 3.032 -1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.223 5.166 -1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.186 4.677 0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.673 4.464 -0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.244 3.488 -3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.685 2.686 -2.673 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.199 1.750 -2.959 1.00 0.00 H new ATOM 934 N PHE A 77 2.351 3.087 1.879 1.00 0.00 N ATOM 935 CA PHE A 77 1.729 3.408 3.148 1.00 0.00 C ATOM 936 C PHE A 77 0.770 4.573 2.968 1.00 0.00 C ATOM 937 O PHE A 77 0.822 5.271 1.956 1.00 0.00 O ATOM 938 CB PHE A 77 2.804 3.761 4.177 1.00 0.00 C ATOM 939 CG PHE A 77 2.718 2.951 5.432 1.00 0.00 C ATOM 940 CD1 PHE A 77 2.457 1.598 5.369 1.00 0.00 C ATOM 941 CD2 PHE A 77 2.893 3.543 6.671 1.00 0.00 C ATOM 942 CE1 PHE A 77 2.372 0.840 6.518 1.00 0.00 C ATOM 943 CE2 PHE A 77 2.811 2.791 7.827 1.00 0.00 C ATOM 944 CZ PHE A 77 2.550 1.436 7.750 1.00 0.00 C ATOM 0 H PHE A 77 3.163 3.662 1.655 1.00 0.00 H new ATOM 0 HA PHE A 77 1.171 2.543 3.506 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.787 3.617 3.728 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.721 4.818 4.430 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.317 1.126 4.408 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.095 4.602 6.735 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.166 -0.218 6.454 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.951 3.261 8.789 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.485 0.845 8.652 1.00 0.00 H new ATOM 1137 N THR A 90 7.506 1.775 2.663 1.00 0.00 N ATOM 1138 CA THR A 90 6.767 0.897 1.781 1.00 0.00 C ATOM 1139 C THR A 90 6.664 -0.496 2.375 1.00 0.00 C ATOM 1140 O THR A 90 7.530 -0.927 3.142 1.00 0.00 O ATOM 1141 CB THR A 90 7.459 0.808 0.405 1.00 0.00 C ATOM 1142 OG1 THR A 90 8.886 0.861 0.560 1.00 0.00 O ATOM 1143 CG2 THR A 90 7.005 1.913 -0.516 1.00 0.00 C ATOM 0 HA THR A 90 5.766 1.311 1.659 1.00 0.00 H new ATOM 0 HB THR A 90 7.178 -0.145 -0.043 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.109 1.378 1.362 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.513 1.819 -1.476 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.928 1.841 -0.667 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.245 2.879 -0.072 1.00 0.00 H new ATOM 1151 N LEU A 91 5.600 -1.197 2.025 1.00 0.00 N ATOM 1152 CA LEU A 91 5.404 -2.542 2.508 1.00 0.00 C ATOM 1153 C LEU A 91 6.030 -3.528 1.543 1.00 0.00 C ATOM 1154 O LEU A 91 5.571 -3.683 0.413 1.00 0.00 O ATOM 1155 CB LEU A 91 3.922 -2.870 2.673 1.00 0.00 C ATOM 1156 CG LEU A 91 3.656 -4.160 3.443 1.00 0.00 C ATOM 1157 CD1 LEU A 91 3.941 -3.954 4.914 1.00 0.00 C ATOM 1158 CD2 LEU A 91 2.238 -4.663 3.260 1.00 0.00 C ATOM 0 H LEU A 91 4.863 -0.853 1.409 1.00 0.00 H new ATOM 0 HA LEU A 91 5.881 -2.618 3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.432 -2.044 3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.465 -2.947 1.686 1.00 0.00 H new ATOM 0 HG LEU A 91 4.325 -4.919 3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.748 -4.880 5.455 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.984 -3.667 5.046 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.296 -3.166 5.303 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.102 -5.583 3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.536 -3.909 3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.055 -4.859 2.204 1.00 0.00 H new ATOM 1170 N THR A 92 7.086 -4.174 1.981 1.00 0.00 N ATOM 1171 CA THR A 92 7.744 -5.182 1.187 1.00 0.00 C ATOM 1172 C THR A 92 7.435 -6.544 1.772 1.00 0.00 C ATOM 1173 O THR A 92 7.896 -6.887 2.854 1.00 0.00 O ATOM 1174 CB THR A 92 9.265 -4.953 1.138 1.00 0.00 C ATOM 1175 OG1 THR A 92 9.529 -3.641 0.622 1.00 0.00 O ATOM 1176 CG2 THR A 92 9.947 -5.997 0.266 1.00 0.00 C ATOM 0 H THR A 92 7.511 -4.015 2.895 1.00 0.00 H new ATOM 0 HA THR A 92 7.373 -5.124 0.164 1.00 0.00 H new ATOM 0 HB THR A 92 9.664 -5.042 2.148 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.808 -3.708 -0.315 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.021 -5.812 0.249 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.757 -6.991 0.672 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.552 -5.938 -0.748 1.00 0.00 H new ATOM 1184 N LEU A 93 6.621 -7.303 1.077 1.00 0.00 N ATOM 1185 CA LEU A 93 6.155 -8.557 1.616 1.00 0.00 C ATOM 1186 C LEU A 93 7.073 -9.693 1.198 1.00 0.00 C ATOM 1187 O LEU A 93 7.355 -9.869 0.011 1.00 0.00 O ATOM 1188 CB LEU A 93 4.722 -8.831 1.168 1.00 0.00 C ATOM 1189 CG LEU A 93 3.894 -9.552 2.195 1.00 0.00 C ATOM 1190 CD1 LEU A 93 3.749 -8.681 3.425 1.00 0.00 C ATOM 1191 CD2 LEU A 93 2.542 -9.909 1.645 1.00 0.00 C ATOM 0 H LEU A 93 6.271 -7.077 0.146 1.00 0.00 H new ATOM 0 HA LEU A 93 6.168 -8.490 2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.240 -7.884 0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.744 -9.422 0.252 1.00 0.00 H new ATOM 0 HG LEU A 93 4.399 -10.480 2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.149 -9.202 4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.735 -8.467 3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.259 -7.746 3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.964 -10.429 2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.018 -9.000 1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.662 -10.557 0.777 1.00 0.00 H new ATOM 1203 N THR A 94 7.546 -10.450 2.182 1.00 0.00 N ATOM 1204 CA THR A 94 8.463 -11.527 1.947 1.00 0.00 C ATOM 1205 C THR A 94 7.755 -12.882 2.045 1.00 0.00 C ATOM 1206 O THR A 94 7.157 -13.215 3.082 1.00 0.00 O ATOM 1207 CB THR A 94 9.606 -11.454 2.968 1.00 0.00 C ATOM 1208 OG1 THR A 94 10.448 -10.325 2.697 1.00 0.00 O ATOM 1209 CG2 THR A 94 10.409 -12.729 2.953 1.00 0.00 C ATOM 0 H THR A 94 7.295 -10.323 3.163 1.00 0.00 H new ATOM 0 HA THR A 94 8.866 -11.430 0.939 1.00 0.00 H new ATOM 0 HB THR A 94 9.175 -11.332 3.962 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.433 -9.714 3.463 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.215 -12.660 3.683 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.762 -13.569 3.205 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.831 -12.882 1.960 1.00 0.00 H new ATOM 1217 N PHE A 95 7.830 -13.648 0.961 1.00 0.00 N ATOM 1218 CA PHE A 95 7.198 -14.957 0.883 1.00 0.00 C ATOM 1219 C PHE A 95 8.238 -16.056 0.769 1.00 0.00 C ATOM 1220 O PHE A 95 9.244 -15.903 0.077 1.00 0.00 O ATOM 1221 CB PHE A 95 6.261 -15.032 -0.322 1.00 0.00 C ATOM 1222 CG PHE A 95 4.989 -14.269 -0.145 1.00 0.00 C ATOM 1223 CD1 PHE A 95 3.948 -14.824 0.563 1.00 0.00 C ATOM 1224 CD2 PHE A 95 4.831 -13.006 -0.687 1.00 0.00 C ATOM 1225 CE1 PHE A 95 2.768 -14.147 0.740 1.00 0.00 C ATOM 1226 CE2 PHE A 95 3.647 -12.319 -0.516 1.00 0.00 C ATOM 1227 CZ PHE A 95 2.614 -12.895 0.200 1.00 0.00 C ATOM 0 H PHE A 95 8.330 -13.378 0.114 1.00 0.00 H new ATOM 0 HA PHE A 95 6.625 -15.099 1.799 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.783 -14.652 -1.200 1.00 0.00 H new ATOM 0 HB3 PHE A 95 6.022 -16.077 -0.520 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.062 -15.811 0.987 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.638 -12.556 -1.246 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.963 -14.598 1.302 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.527 -11.333 -0.941 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.686 -12.359 0.334 1.00 0.00 H new ATOM 1237 N ASN A 96 7.997 -17.152 1.476 1.00 0.00 N ATOM 1238 CA ASN A 96 8.864 -18.323 1.396 1.00 0.00 C ATOM 1239 C ASN A 96 8.627 -19.105 0.108 1.00 0.00 C ATOM 1240 O ASN A 96 7.819 -18.701 -0.729 1.00 0.00 O ATOM 1241 CB ASN A 96 8.686 -19.240 2.616 1.00 0.00 C ATOM 1242 CG ASN A 96 7.265 -19.748 2.806 1.00 0.00 C ATOM 1243 OD1 ASN A 96 6.511 -19.934 1.849 1.00 0.00 O ATOM 1244 ND2 ASN A 96 6.902 -19.988 4.055 1.00 0.00 N ATOM 0 H ASN A 96 7.207 -17.256 2.113 1.00 0.00 H new ATOM 0 HA ASN A 96 9.891 -17.959 1.391 1.00 0.00 H new ATOM 0 HB2 ASN A 96 9.356 -20.094 2.517 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.990 -18.699 3.512 1.00 0.00 H new ATOM 0 HD21 ASN A 96 5.966 -20.341 4.255 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.558 -19.820 4.818 1.00 0.00 H new ATOM 1251 N SER A 97 9.304 -20.238 -0.023 1.00 0.00 N ATOM 1252 CA SER A 97 9.230 -21.066 -1.221 1.00 0.00 C ATOM 1253 C SER A 97 7.788 -21.400 -1.626 1.00 0.00 C ATOM 1254 O SER A 97 7.467 -21.443 -2.815 1.00 0.00 O ATOM 1255 CB SER A 97 10.006 -22.358 -0.978 1.00 0.00 C ATOM 1256 OG SER A 97 11.283 -22.084 -0.416 1.00 0.00 O ATOM 0 H SER A 97 9.921 -20.610 0.699 1.00 0.00 H new ATOM 0 HA SER A 97 9.666 -20.497 -2.042 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.441 -23.006 -0.308 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.126 -22.897 -1.918 1.00 0.00 H new ATOM 0 HG SER A 97 11.762 -22.926 -0.267 1.00 0.00 H new ATOM 1262 N SER A 98 6.912 -21.608 -0.649 1.00 0.00 N ATOM 1263 CA SER A 98 5.575 -22.103 -0.936 1.00 0.00 C ATOM 1264 C SER A 98 4.602 -20.949 -1.199 1.00 0.00 C ATOM 1265 O SER A 98 3.417 -21.170 -1.465 1.00 0.00 O ATOM 1266 CB SER A 98 5.084 -22.965 0.230 1.00 0.00 C ATOM 1267 OG SER A 98 3.914 -23.687 -0.114 1.00 0.00 O ATOM 0 H SER A 98 7.103 -21.443 0.339 1.00 0.00 H new ATOM 0 HA SER A 98 5.617 -22.712 -1.839 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.869 -23.661 0.525 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.881 -22.330 1.093 1.00 0.00 H new ATOM 0 HG SER A 98 3.414 -23.193 -0.797 1.00 0.00 H new ATOM 1273 N GLY A 99 5.103 -19.722 -1.128 1.00 0.00 N ATOM 1274 CA GLY A 99 4.253 -18.567 -1.347 1.00 0.00 C ATOM 1275 C GLY A 99 3.482 -18.213 -0.099 1.00 0.00 C ATOM 1276 O GLY A 99 2.367 -17.687 -0.158 1.00 0.00 O ATOM 0 H GLY A 99 6.079 -19.506 -0.924 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.862 -17.717 -1.655 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.558 -18.773 -2.161 1.00 0.00 H new ATOM 1280 N VAL A 100 4.082 -18.525 1.035 1.00 0.00 N ATOM 1281 CA VAL A 100 3.482 -18.268 2.329 1.00 0.00 C ATOM 1282 C VAL A 100 4.177 -17.089 2.990 1.00 0.00 C ATOM 1283 O VAL A 100 5.400 -16.955 2.902 1.00 0.00 O ATOM 1284 CB VAL A 100 3.605 -19.504 3.242 1.00 0.00 C ATOM 1285 CG1 VAL A 100 2.814 -19.314 4.528 1.00 0.00 C ATOM 1286 CG2 VAL A 100 3.165 -20.762 2.511 1.00 0.00 C ATOM 0 H VAL A 100 5.001 -18.965 1.084 1.00 0.00 H new ATOM 0 HA VAL A 100 2.426 -18.042 2.180 1.00 0.00 H new ATOM 0 HB VAL A 100 4.655 -19.621 3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.918 -20.201 5.154 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.195 -18.445 5.064 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.762 -19.160 4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.261 -21.621 3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.125 -20.657 2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.793 -20.911 1.633 1.00 0.00 H new ATOM 1296 N LEU A 101 3.397 -16.223 3.623 1.00 0.00 N ATOM 1297 CA LEU A 101 3.938 -15.074 4.318 1.00 0.00 C ATOM 1298 C LEU A 101 4.874 -15.476 5.435 1.00 0.00 C ATOM 1299 O LEU A 101 4.515 -16.256 6.318 1.00 0.00 O ATOM 1300 CB LEU A 101 2.817 -14.223 4.883 1.00 0.00 C ATOM 1301 CG LEU A 101 2.515 -12.982 4.072 1.00 0.00 C ATOM 1302 CD1 LEU A 101 1.461 -12.145 4.765 1.00 0.00 C ATOM 1303 CD2 LEU A 101 3.783 -12.181 3.863 1.00 0.00 C ATOM 0 H LEU A 101 2.381 -16.300 3.666 1.00 0.00 H new ATOM 0 HA LEU A 101 4.508 -14.498 3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.914 -14.829 4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.077 -13.926 5.899 1.00 0.00 H new ATOM 0 HG LEU A 101 2.127 -13.280 3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.254 -11.255 4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.547 -12.729 4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.822 -11.847 5.749 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.558 -11.289 3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.191 -11.887 4.830 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.514 -12.789 3.330 1.00 0.00 H new ATOM 1315 N THR A 102 6.074 -14.935 5.381 1.00 0.00 N ATOM 1316 CA THR A 102 7.047 -15.140 6.435 1.00 0.00 C ATOM 1317 C THR A 102 7.300 -13.834 7.167 1.00 0.00 C ATOM 1318 O THR A 102 7.355 -13.802 8.398 1.00 0.00 O ATOM 1319 CB THR A 102 8.379 -15.688 5.886 1.00 0.00 C ATOM 1320 OG1 THR A 102 9.137 -14.644 5.264 1.00 0.00 O ATOM 1321 CG2 THR A 102 8.110 -16.761 4.863 1.00 0.00 C ATOM 0 H THR A 102 6.400 -14.347 4.614 1.00 0.00 H new ATOM 0 HA THR A 102 6.636 -15.879 7.123 1.00 0.00 H new ATOM 0 HB THR A 102 8.946 -16.099 6.722 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.610 -14.129 5.951 1.00 0.00 H new ATOM 0 HG21 THR A 102 9.056 -17.143 4.480 1.00 0.00 H new ATOM 0 HG22 THR A 102 7.551 -17.574 5.327 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.528 -16.343 4.042 1.00 0.00 H new ATOM 1329 N ASN A 103 7.435 -12.751 6.404 1.00 0.00 N ATOM 1330 CA ASN A 103 7.699 -11.436 6.995 1.00 0.00 C ATOM 1331 C ASN A 103 6.868 -10.353 6.326 1.00 0.00 C ATOM 1332 O ASN A 103 6.474 -10.478 5.162 1.00 0.00 O ATOM 1333 CB ASN A 103 9.175 -11.011 6.870 1.00 0.00 C ATOM 1334 CG ASN A 103 10.178 -11.931 7.546 1.00 0.00 C ATOM 1335 OD1 ASN A 103 10.043 -13.153 7.546 1.00 0.00 O ATOM 1336 ND2 ASN A 103 11.210 -11.339 8.128 1.00 0.00 N ATOM 0 H ASN A 103 7.367 -12.754 5.386 1.00 0.00 H new ATOM 0 HA ASN A 103 7.436 -11.540 8.048 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.427 -10.942 5.812 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.284 -10.011 7.290 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.923 -11.900 8.595 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.292 -10.322 8.110 1.00 0.00 H new ATOM 1343 N ILE A 104 6.620 -9.294 7.075 1.00 0.00 N ATOM 1344 CA ILE A 104 6.038 -8.075 6.534 1.00 0.00 C ATOM 1345 C ILE A 104 7.082 -6.966 6.677 1.00 0.00 C ATOM 1346 O ILE A 104 7.150 -6.302 7.714 1.00 0.00 O ATOM 1347 CB ILE A 104 4.760 -7.637 7.301 1.00 0.00 C ATOM 1348 CG1 ILE A 104 3.930 -8.837 7.797 1.00 0.00 C ATOM 1349 CG2 ILE A 104 3.906 -6.714 6.433 1.00 0.00 C ATOM 1350 CD1 ILE A 104 3.236 -9.644 6.719 1.00 0.00 C ATOM 0 H ILE A 104 6.816 -9.253 8.075 1.00 0.00 H new ATOM 0 HA ILE A 104 5.757 -8.258 5.497 1.00 0.00 H new ATOM 0 HB ILE A 104 5.089 -7.091 8.185 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.586 -9.502 8.358 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.176 -8.471 8.494 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.015 -6.417 6.986 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.482 -5.827 6.169 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.611 -7.239 5.524 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.681 -10.463 7.178 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.547 -9.002 6.170 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.979 -10.049 6.032 1.00 0.00 H new ATOM 1362 N ASP A 105 7.891 -6.761 5.651 1.00 0.00 N ATOM 1363 CA ASP A 105 9.021 -5.849 5.734 1.00 0.00 C ATOM 1364 C ASP A 105 8.623 -4.432 5.341 1.00 0.00 C ATOM 1365 O ASP A 105 8.592 -4.088 4.162 1.00 0.00 O ATOM 1366 CB ASP A 105 10.152 -6.339 4.829 1.00 0.00 C ATOM 1367 CG ASP A 105 10.771 -7.643 5.298 1.00 0.00 C ATOM 1368 OD1 ASP A 105 11.657 -7.604 6.179 1.00 0.00 O ATOM 1369 OD2 ASP A 105 10.382 -8.710 4.785 1.00 0.00 O ATOM 0 H ASP A 105 7.785 -7.217 4.745 1.00 0.00 H new ATOM 0 HA ASP A 105 9.362 -5.829 6.769 1.00 0.00 H new ATOM 0 HB2 ASP A 105 9.768 -6.470 3.817 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.927 -5.574 4.780 1.00 0.00 H new ATOM 1374 N ASN A 106 8.332 -3.602 6.327 1.00 0.00 N ATOM 1375 CA ASN A 106 7.941 -2.227 6.065 1.00 0.00 C ATOM 1376 C ASN A 106 9.059 -1.274 6.447 1.00 0.00 C ATOM 1377 O ASN A 106 9.367 -1.083 7.623 1.00 0.00 O ATOM 1378 CB ASN A 106 6.648 -1.877 6.804 1.00 0.00 C ATOM 1379 CG ASN A 106 6.218 -0.433 6.598 1.00 0.00 C ATOM 1380 OD1 ASN A 106 6.573 0.453 7.375 1.00 0.00 O ATOM 1381 ND2 ASN A 106 5.445 -0.188 5.553 1.00 0.00 N ATOM 0 H ASN A 106 8.359 -3.855 7.315 1.00 0.00 H new ATOM 0 HA ASN A 106 7.754 -2.122 4.996 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.852 -2.539 6.465 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.784 -2.061 7.870 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.122 0.762 5.369 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.172 -0.949 4.931 1.00 0.00 H new ATOM 1388 N LYS A 107 9.672 -0.700 5.433 1.00 0.00 N ATOM 1389 CA LYS A 107 10.781 0.226 5.608 1.00 0.00 C ATOM 1390 C LYS A 107 10.692 1.328 4.546 1.00 0.00 C ATOM 1391 O LYS A 107 9.918 1.193 3.604 1.00 0.00 O ATOM 1392 CB LYS A 107 12.118 -0.525 5.507 1.00 0.00 C ATOM 1393 CG LYS A 107 12.598 -0.787 4.089 1.00 0.00 C ATOM 1394 CD LYS A 107 11.905 -1.974 3.429 1.00 0.00 C ATOM 1395 CE LYS A 107 10.748 -1.541 2.537 1.00 0.00 C ATOM 1396 NZ LYS A 107 11.187 -0.640 1.432 1.00 0.00 N ATOM 0 H LYS A 107 9.417 -0.861 4.459 1.00 0.00 H new ATOM 0 HA LYS A 107 10.725 0.683 6.596 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.881 0.048 6.033 1.00 0.00 H new ATOM 0 HB3 LYS A 107 12.022 -1.479 6.025 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.430 0.105 3.485 1.00 0.00 H new ATOM 0 HG3 LYS A 107 13.673 -0.965 4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 107 12.630 -2.532 2.836 1.00 0.00 H new ATOM 0 HD3 LYS A 107 11.535 -2.651 4.199 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.269 -2.424 2.113 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.998 -1.031 3.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.413 0.009 1.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 12.014 -0.090 1.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.441 -1.210 0.600 1.00 0.00 H new