USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=21 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 Single : A 39 THR OG1 : rot -86:sc= 1.24 USER MOD Single : A 41 ASN : amide:sc= -0.0409 X(o=-0.041,f=-0.27) USER MOD Single : A 44 SER OG : rot -27:sc= 0.0876 USER MOD Single : A 45 LYS NZ :NH3+ -171:sc= 1.22 (180deg=0.979) USER MOD Single : A 50 MET CE :methyl -132:sc= -6.49! (180deg=-10.2!) USER MOD Single : A 51 THR OG1 : rot -127:sc= -2.62! USER MOD Single : A 52 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.146 F(o=-1.5,f=-0.15) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc=0.000255 USER MOD Single : A 64 MET CE :methyl -126:sc= -2.59! (180deg=-5.74!) USER MOD Single : A 65 SER OG : rot -40:sc= 0.13 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0119 USER MOD Single : A 71 ASN : amide:sc= -0.003 K(o=-0.003,f=-3.7!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 138:sc= -0.675! USER MOD Single : A 90 THR OG1 : rot -20:sc= 0.3 USER MOD Single : A 92 THR OG1 : rot -160:sc= -0.629 USER MOD Single : A 94 THR OG1 : rot 120:sc= 1.11 USER MOD Single : A 96 ASN : amide:sc= 0.586 K(o=0.59,f=-4.5!) USER MOD Single : A 97 SER OG : rot 180:sc= 0.0105 USER MOD Single : A 98 SER OG : rot -28:sc= 0.0173 USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.388 USER MOD Single : A 103 ASN : amide:sc= -0.608 K(o=-0.61,f=-5.5!) USER MOD Single : A 106 ASN : amide:sc= -0.0742 K(o=-0.074,f=-0.72) USER MOD Single : A 107 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0376) USER MOD ----------------------------------------------------------------- ATOM 334 N LEU A 38 -2.277 0.395 -2.242 1.00 0.00 N ATOM 335 CA LEU A 38 -2.261 0.089 -0.825 1.00 0.00 C ATOM 336 C LEU A 38 -1.947 1.314 0.012 1.00 0.00 C ATOM 337 O LEU A 38 -1.292 2.253 -0.440 1.00 0.00 O ATOM 338 CB LEU A 38 -1.232 -0.986 -0.511 1.00 0.00 C ATOM 339 CG LEU A 38 -1.751 -2.423 -0.479 1.00 0.00 C ATOM 340 CD1 LEU A 38 -2.959 -2.528 0.432 1.00 0.00 C ATOM 341 CD2 LEU A 38 -2.079 -2.916 -1.880 1.00 0.00 C ATOM 0 HA LEU A 38 -3.260 -0.268 -0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.435 -0.925 -1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.785 -0.761 0.457 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.964 -3.063 -0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.317 -3.557 0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.680 -2.229 1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.749 -1.873 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.446 -3.941 -1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.845 -2.278 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.181 -2.883 -2.497 1.00 0.00 H new ATOM 353 N THR A 39 -2.434 1.282 1.229 1.00 0.00 N ATOM 354 CA THR A 39 -2.138 2.301 2.215 1.00 0.00 C ATOM 355 C THR A 39 -1.656 1.646 3.498 1.00 0.00 C ATOM 356 O THR A 39 -1.514 0.425 3.558 1.00 0.00 O ATOM 357 CB THR A 39 -3.365 3.178 2.533 1.00 0.00 C ATOM 358 OG1 THR A 39 -4.344 2.421 3.257 1.00 0.00 O ATOM 359 CG2 THR A 39 -3.983 3.710 1.260 1.00 0.00 C ATOM 0 H THR A 39 -3.051 0.544 1.568 1.00 0.00 H new ATOM 0 HA THR A 39 -1.363 2.943 1.795 1.00 0.00 H new ATOM 0 HB THR A 39 -3.032 4.017 3.145 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.923 1.945 2.625 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.848 4.327 1.505 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.249 4.311 0.723 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.298 2.876 0.633 1.00 0.00 H new ATOM 367 N ALA A 40 -1.443 2.443 4.531 1.00 0.00 N ATOM 368 CA ALA A 40 -1.053 1.900 5.830 1.00 0.00 C ATOM 369 C ALA A 40 -2.232 1.183 6.463 1.00 0.00 C ATOM 370 O ALA A 40 -2.086 0.158 7.132 1.00 0.00 O ATOM 371 CB ALA A 40 -0.566 3.008 6.744 1.00 0.00 C ATOM 0 H ALA A 40 -1.531 3.459 4.502 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.239 1.190 5.683 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.280 2.586 7.707 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.296 3.500 6.293 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.364 3.736 6.890 1.00 0.00 H new ATOM 377 N ASN A 41 -3.402 1.738 6.209 1.00 0.00 N ATOM 378 CA ASN A 41 -4.657 1.237 6.748 1.00 0.00 C ATOM 379 C ASN A 41 -4.911 -0.174 6.267 1.00 0.00 C ATOM 380 O ASN A 41 -5.313 -1.055 7.028 1.00 0.00 O ATOM 381 CB ASN A 41 -5.792 2.136 6.274 1.00 0.00 C ATOM 382 CG ASN A 41 -5.546 3.597 6.590 1.00 0.00 C ATOM 383 OD1 ASN A 41 -4.937 3.936 7.603 1.00 0.00 O ATOM 384 ND2 ASN A 41 -5.985 4.473 5.704 1.00 0.00 N ATOM 0 H ASN A 41 -3.511 2.560 5.615 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.602 1.235 7.837 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.920 2.017 5.198 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.723 1.818 6.743 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.822 5.470 5.848 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.486 4.153 4.876 1.00 0.00 H new ATOM 391 N ASP A 42 -4.666 -0.371 4.988 1.00 0.00 N ATOM 392 CA ASP A 42 -4.898 -1.654 4.345 1.00 0.00 C ATOM 393 C ASP A 42 -3.866 -2.679 4.783 1.00 0.00 C ATOM 394 O ASP A 42 -4.158 -3.866 4.852 1.00 0.00 O ATOM 395 CB ASP A 42 -4.880 -1.511 2.827 1.00 0.00 C ATOM 396 CG ASP A 42 -5.878 -0.490 2.328 1.00 0.00 C ATOM 397 OD1 ASP A 42 -7.096 -0.736 2.442 1.00 0.00 O ATOM 398 OD2 ASP A 42 -5.444 0.569 1.831 1.00 0.00 O ATOM 0 H ASP A 42 -4.302 0.349 4.364 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.884 -2.003 4.652 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.879 -1.223 2.505 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.096 -2.478 2.372 1.00 0.00 H new ATOM 403 N VAL A 43 -2.659 -2.220 5.092 1.00 0.00 N ATOM 404 CA VAL A 43 -1.620 -3.107 5.615 1.00 0.00 C ATOM 405 C VAL A 43 -2.101 -3.790 6.893 1.00 0.00 C ATOM 406 O VAL A 43 -1.819 -4.964 7.132 1.00 0.00 O ATOM 407 CB VAL A 43 -0.309 -2.346 5.900 1.00 0.00 C ATOM 408 CG1 VAL A 43 0.660 -3.224 6.663 1.00 0.00 C ATOM 409 CG2 VAL A 43 0.333 -1.898 4.611 1.00 0.00 C ATOM 0 H VAL A 43 -2.374 -1.246 4.991 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.418 -3.858 4.851 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.552 -1.471 6.503 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.579 -2.670 6.855 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.212 -3.523 7.611 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.888 -4.112 6.074 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.257 -1.363 4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.556 -2.768 3.994 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.349 -1.238 4.075 1.00 0.00 H new ATOM 419 N SER A 44 -2.855 -3.048 7.693 1.00 0.00 N ATOM 420 CA SER A 44 -3.413 -3.564 8.937 1.00 0.00 C ATOM 421 C SER A 44 -4.364 -4.734 8.684 1.00 0.00 C ATOM 422 O SER A 44 -4.678 -5.499 9.595 1.00 0.00 O ATOM 423 CB SER A 44 -4.147 -2.447 9.668 1.00 0.00 C ATOM 424 OG SER A 44 -4.635 -2.884 10.927 1.00 0.00 O ATOM 0 H SER A 44 -3.097 -2.076 7.500 1.00 0.00 H new ATOM 0 HA SER A 44 -2.591 -3.931 9.551 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.475 -1.601 9.811 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.978 -2.095 9.057 1.00 0.00 H new ATOM 0 HG SER A 44 -4.787 -3.852 10.901 1.00 0.00 H new ATOM 430 N LYS A 45 -4.828 -4.858 7.451 1.00 0.00 N ATOM 431 CA LYS A 45 -5.746 -5.922 7.083 1.00 0.00 C ATOM 432 C LYS A 45 -5.038 -7.271 6.982 1.00 0.00 C ATOM 433 O LYS A 45 -5.611 -8.303 7.333 1.00 0.00 O ATOM 434 CB LYS A 45 -6.423 -5.597 5.764 1.00 0.00 C ATOM 435 CG LYS A 45 -7.265 -4.334 5.810 1.00 0.00 C ATOM 436 CD LYS A 45 -7.841 -4.022 4.445 1.00 0.00 C ATOM 437 CE LYS A 45 -8.758 -5.137 3.988 1.00 0.00 C ATOM 438 NZ LYS A 45 -9.075 -5.045 2.537 1.00 0.00 N ATOM 0 H LYS A 45 -4.582 -4.231 6.685 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.496 -5.995 7.870 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.662 -5.489 4.991 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.056 -6.436 5.473 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.073 -4.456 6.531 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.656 -3.498 6.152 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.392 -3.082 4.483 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.034 -3.889 3.725 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.289 -6.099 4.195 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.683 -5.103 4.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.820 -5.731 2.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.405 -4.084 2.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.222 -5.256 1.981 1.00 0.00 H new ATOM 452 N ILE A 46 -3.801 -7.274 6.504 1.00 0.00 N ATOM 453 CA ILE A 46 -3.086 -8.517 6.329 1.00 0.00 C ATOM 454 C ILE A 46 -2.347 -8.932 7.577 1.00 0.00 C ATOM 455 O ILE A 46 -2.359 -8.245 8.597 1.00 0.00 O ATOM 456 CB ILE A 46 -2.085 -8.495 5.167 1.00 0.00 C ATOM 457 CG1 ILE A 46 -1.034 -7.393 5.326 1.00 0.00 C ATOM 458 CG2 ILE A 46 -2.823 -8.370 3.855 1.00 0.00 C ATOM 459 CD1 ILE A 46 0.119 -7.561 4.367 1.00 0.00 C ATOM 0 H ILE A 46 -3.283 -6.438 6.235 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.868 -9.241 6.099 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.540 -9.439 5.176 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.501 -6.422 5.163 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.657 -7.398 6.349 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.106 -8.355 3.034 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.496 -9.219 3.734 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.401 -7.446 3.849 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.838 -6.756 4.518 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.605 -8.520 4.547 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.252 -7.529 3.343 1.00 0.00 H new ATOM 471 N ARG A 47 -1.705 -10.079 7.464 1.00 0.00 N ATOM 472 CA ARG A 47 -1.007 -10.697 8.568 1.00 0.00 C ATOM 473 C ARG A 47 -0.233 -11.897 8.067 1.00 0.00 C ATOM 474 O ARG A 47 -0.614 -12.528 7.078 1.00 0.00 O ATOM 475 CB ARG A 47 -1.994 -11.124 9.666 1.00 0.00 C ATOM 476 CG ARG A 47 -2.996 -12.189 9.236 1.00 0.00 C ATOM 477 CD ARG A 47 -4.167 -11.604 8.456 1.00 0.00 C ATOM 478 NE ARG A 47 -4.890 -10.564 9.198 1.00 0.00 N ATOM 479 CZ ARG A 47 -5.869 -10.807 10.073 1.00 0.00 C ATOM 480 NH1 ARG A 47 -6.147 -12.049 10.447 1.00 0.00 N ATOM 481 NH2 ARG A 47 -6.559 -9.802 10.597 1.00 0.00 N ATOM 0 H ARG A 47 -1.655 -10.610 6.595 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.315 -9.972 8.997 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.429 -11.499 10.519 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.541 -10.245 10.007 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.490 -12.933 8.622 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.373 -12.707 10.118 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.799 -11.185 7.520 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.859 -12.405 8.196 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.627 -9.592 9.034 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.611 -12.829 10.066 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.897 -12.224 11.116 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.342 -8.841 10.332 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.306 -9.990 11.265 1.00 0.00 H new ATOM 495 N VAL A 48 0.860 -12.189 8.742 1.00 0.00 N ATOM 496 CA VAL A 48 1.729 -13.280 8.361 1.00 0.00 C ATOM 497 C VAL A 48 1.053 -14.614 8.644 1.00 0.00 C ATOM 498 O VAL A 48 0.328 -14.753 9.631 1.00 0.00 O ATOM 499 CB VAL A 48 3.054 -13.210 9.125 1.00 0.00 C ATOM 500 CG1 VAL A 48 4.184 -13.742 8.266 1.00 0.00 C ATOM 501 CG2 VAL A 48 3.332 -11.788 9.566 1.00 0.00 C ATOM 0 H VAL A 48 1.169 -11.677 9.568 1.00 0.00 H new ATOM 0 HA VAL A 48 1.931 -13.194 7.293 1.00 0.00 H new ATOM 0 HB VAL A 48 2.981 -13.834 10.016 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.120 -13.686 8.821 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.981 -14.779 7.999 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.264 -13.143 7.359 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.277 -11.753 10.108 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.391 -11.141 8.691 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.528 -11.445 10.217 1.00 0.00 H new ATOM 511 N GLY A 49 1.285 -15.589 7.784 1.00 0.00 N ATOM 512 CA GLY A 49 0.660 -16.881 7.957 1.00 0.00 C ATOM 513 C GLY A 49 -0.186 -17.286 6.770 1.00 0.00 C ATOM 514 O GLY A 49 -0.294 -18.473 6.457 1.00 0.00 O ATOM 0 H GLY A 49 1.894 -15.510 6.970 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.431 -17.634 8.122 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.037 -16.862 8.852 1.00 0.00 H new ATOM 518 N MET A 50 -0.799 -16.309 6.107 1.00 0.00 N ATOM 519 CA MET A 50 -1.588 -16.601 4.919 1.00 0.00 C ATOM 520 C MET A 50 -0.717 -16.600 3.670 1.00 0.00 C ATOM 521 O MET A 50 0.484 -16.327 3.733 1.00 0.00 O ATOM 522 CB MET A 50 -2.781 -15.649 4.744 1.00 0.00 C ATOM 523 CG MET A 50 -2.481 -14.178 4.938 1.00 0.00 C ATOM 524 SD MET A 50 -3.937 -13.151 4.623 1.00 0.00 S ATOM 525 CE MET A 50 -3.227 -11.513 4.683 1.00 0.00 C ATOM 0 H MET A 50 -0.765 -15.324 6.369 1.00 0.00 H new ATOM 0 HA MET A 50 -1.999 -17.600 5.063 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.190 -15.789 3.743 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.560 -15.938 5.450 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.130 -14.009 5.956 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.674 -13.880 4.269 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.840 -10.874 5.319 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.217 -11.569 5.090 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.190 -11.095 3.677 1.00 0.00 H new ATOM 535 N THR A 51 -1.329 -16.903 2.539 1.00 0.00 N ATOM 536 CA THR A 51 -0.587 -17.115 1.307 1.00 0.00 C ATOM 537 C THR A 51 -0.467 -15.842 0.493 1.00 0.00 C ATOM 538 O THR A 51 -0.896 -14.765 0.922 1.00 0.00 O ATOM 539 CB THR A 51 -1.251 -18.175 0.418 1.00 0.00 C ATOM 540 OG1 THR A 51 -2.446 -17.664 -0.173 1.00 0.00 O ATOM 541 CG2 THR A 51 -1.592 -19.388 1.227 1.00 0.00 C ATOM 0 H THR A 51 -2.339 -17.008 2.447 1.00 0.00 H new ATOM 0 HA THR A 51 0.403 -17.453 1.615 1.00 0.00 H new ATOM 0 HB THR A 51 -0.546 -18.441 -0.369 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.189 -18.275 0.011 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.063 -20.133 0.585 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.682 -19.804 1.660 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.280 -19.111 2.026 1.00 0.00 H new ATOM 549 N GLN A 52 0.100 -15.978 -0.690 1.00 0.00 N ATOM 550 CA GLN A 52 0.159 -14.885 -1.631 1.00 0.00 C ATOM 551 C GLN A 52 -1.238 -14.483 -2.086 1.00 0.00 C ATOM 552 O GLN A 52 -1.567 -13.298 -2.136 1.00 0.00 O ATOM 553 CB GLN A 52 1.003 -15.274 -2.835 1.00 0.00 C ATOM 554 CG GLN A 52 2.453 -15.549 -2.488 1.00 0.00 C ATOM 555 CD GLN A 52 3.306 -15.894 -3.691 1.00 0.00 C ATOM 556 OE1 GLN A 52 2.704 -16.505 -4.702 1.00 0.00 O flip ATOM 557 NE2 GLN A 52 4.501 -15.621 -3.709 1.00 0.00 N flip ATOM 0 H GLN A 52 0.528 -16.843 -1.021 1.00 0.00 H new ATOM 0 HA GLN A 52 0.618 -14.032 -1.132 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.573 -16.162 -3.300 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.959 -14.474 -3.574 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.873 -14.673 -1.994 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.498 -16.370 -1.773 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.929 -15.150 -2.912 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.068 -15.865 -4.521 1.00 0.00 H new ATOM 566 N GLN A 53 -2.075 -15.472 -2.386 1.00 0.00 N ATOM 567 CA GLN A 53 -3.399 -15.186 -2.925 1.00 0.00 C ATOM 568 C GLN A 53 -4.242 -14.486 -1.882 1.00 0.00 C ATOM 569 O GLN A 53 -5.053 -13.621 -2.196 1.00 0.00 O ATOM 570 CB GLN A 53 -4.095 -16.459 -3.409 1.00 0.00 C ATOM 571 CG GLN A 53 -4.459 -17.460 -2.325 1.00 0.00 C ATOM 572 CD GLN A 53 -5.959 -17.570 -2.089 1.00 0.00 C ATOM 573 OE1 GLN A 53 -6.684 -16.478 -2.284 1.00 0.00 O flip ATOM 574 NE2 GLN A 53 -6.460 -18.633 -1.722 1.00 0.00 N flip ATOM 0 H GLN A 53 -1.864 -16.463 -2.267 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.278 -14.530 -3.787 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.005 -16.176 -3.938 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.447 -16.953 -4.133 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.068 -18.440 -2.598 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.972 -17.171 -1.394 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.870 -19.453 -1.582 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.465 -18.693 -1.558 1.00 0.00 H new ATOM 583 N GLN A 54 -4.030 -14.876 -0.641 1.00 0.00 N ATOM 584 CA GLN A 54 -4.706 -14.262 0.489 1.00 0.00 C ATOM 585 C GLN A 54 -4.388 -12.774 0.564 1.00 0.00 C ATOM 586 O GLN A 54 -5.289 -11.940 0.646 1.00 0.00 O ATOM 587 CB GLN A 54 -4.269 -14.927 1.783 1.00 0.00 C ATOM 588 CG GLN A 54 -4.486 -16.424 1.818 1.00 0.00 C ATOM 589 CD GLN A 54 -5.755 -16.827 2.532 1.00 0.00 C ATOM 590 OE1 GLN A 54 -6.772 -16.134 2.475 1.00 0.00 O ATOM 591 NE2 GLN A 54 -5.682 -17.933 3.251 1.00 0.00 N ATOM 0 H GLN A 54 -3.387 -15.625 -0.386 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.779 -14.392 0.351 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.211 -14.721 1.944 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.812 -14.473 2.612 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.516 -16.804 0.797 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.635 -16.896 2.309 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.818 -18.475 3.267 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.490 -18.245 3.790 1.00 0.00 H new ATOM 600 N VAL A 55 -3.101 -12.448 0.523 1.00 0.00 N ATOM 601 CA VAL A 55 -2.665 -11.073 0.655 1.00 0.00 C ATOM 602 C VAL A 55 -3.063 -10.240 -0.552 1.00 0.00 C ATOM 603 O VAL A 55 -3.529 -9.120 -0.396 1.00 0.00 O ATOM 604 CB VAL A 55 -1.149 -10.984 0.855 1.00 0.00 C ATOM 605 CG1 VAL A 55 -0.692 -9.535 0.835 1.00 0.00 C ATOM 606 CG2 VAL A 55 -0.766 -11.641 2.161 1.00 0.00 C ATOM 0 H VAL A 55 -2.345 -13.121 0.399 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.164 -10.672 1.537 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.654 -11.507 0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.388 -9.492 0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.949 -9.086 -0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.187 -8.986 1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.313 -11.575 2.299 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.269 -11.134 2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.066 -12.689 2.143 1.00 0.00 H new ATOM 616 N ALA A 56 -2.903 -10.780 -1.752 1.00 0.00 N ATOM 617 CA ALA A 56 -3.253 -10.024 -2.948 1.00 0.00 C ATOM 618 C ALA A 56 -4.745 -9.735 -2.974 1.00 0.00 C ATOM 619 O ALA A 56 -5.190 -8.779 -3.594 1.00 0.00 O ATOM 620 CB ALA A 56 -2.819 -10.743 -4.218 1.00 0.00 C ATOM 0 H ALA A 56 -2.541 -11.718 -1.923 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.714 -9.078 -2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.098 -10.147 -5.087 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.738 -10.883 -4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.310 -11.715 -4.272 1.00 0.00 H new ATOM 626 N TYR A 57 -5.516 -10.576 -2.311 1.00 0.00 N ATOM 627 CA TYR A 57 -6.941 -10.349 -2.193 1.00 0.00 C ATOM 628 C TYR A 57 -7.261 -9.354 -1.076 1.00 0.00 C ATOM 629 O TYR A 57 -8.123 -8.487 -1.233 1.00 0.00 O ATOM 630 CB TYR A 57 -7.659 -11.675 -1.993 1.00 0.00 C ATOM 631 CG TYR A 57 -7.902 -12.394 -3.302 1.00 0.00 C ATOM 632 CD1 TYR A 57 -6.998 -12.277 -4.356 1.00 0.00 C ATOM 633 CD2 TYR A 57 -9.040 -13.163 -3.499 1.00 0.00 C ATOM 634 CE1 TYR A 57 -7.221 -12.908 -5.556 1.00 0.00 C ATOM 635 CE2 TYR A 57 -9.270 -13.798 -4.705 1.00 0.00 C ATOM 636 CZ TYR A 57 -8.357 -13.668 -5.730 1.00 0.00 C ATOM 637 OH TYR A 57 -8.581 -14.297 -6.932 1.00 0.00 O ATOM 0 H TYR A 57 -5.179 -11.420 -1.848 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.301 -9.900 -3.119 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.067 -12.311 -1.335 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.612 -11.499 -1.494 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.107 -11.680 -4.227 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -9.757 -13.267 -2.698 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.508 -12.809 -6.361 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -10.161 -14.393 -4.844 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.425 -14.793 -6.889 1.00 0.00 H new ATOM 647 N ALA A 58 -6.551 -9.486 0.047 1.00 0.00 N ATOM 648 CA ALA A 58 -6.740 -8.610 1.201 1.00 0.00 C ATOM 649 C ALA A 58 -6.252 -7.201 0.911 1.00 0.00 C ATOM 650 O ALA A 58 -6.914 -6.210 1.228 1.00 0.00 O ATOM 651 CB ALA A 58 -5.985 -9.164 2.399 1.00 0.00 C ATOM 0 H ALA A 58 -5.834 -10.199 0.180 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.807 -8.569 1.418 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.130 -8.506 3.256 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.361 -10.159 2.637 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.922 -9.224 2.163 1.00 0.00 H new ATOM 657 N LEU A 59 -5.080 -7.139 0.312 1.00 0.00 N ATOM 658 CA LEU A 59 -4.387 -5.894 0.056 1.00 0.00 C ATOM 659 C LEU A 59 -4.760 -5.326 -1.303 1.00 0.00 C ATOM 660 O LEU A 59 -5.034 -4.137 -1.444 1.00 0.00 O ATOM 661 CB LEU A 59 -2.883 -6.165 0.125 1.00 0.00 C ATOM 662 CG LEU A 59 -2.127 -5.397 1.193 1.00 0.00 C ATOM 663 CD1 LEU A 59 -2.946 -5.351 2.459 1.00 0.00 C ATOM 664 CD2 LEU A 59 -0.805 -6.062 1.453 1.00 0.00 C ATOM 0 H LEU A 59 -4.576 -7.963 -0.015 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.675 -5.156 0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.731 -7.231 0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.445 -5.930 -0.845 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.948 -4.378 0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.401 -4.799 3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.896 -4.854 2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.134 -6.366 2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.264 -5.508 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.972 -7.084 1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.218 -6.077 0.535 1.00 0.00 H new ATOM 676 N GLY A 60 -4.794 -6.199 -2.287 1.00 0.00 N ATOM 677 CA GLY A 60 -4.952 -5.779 -3.656 1.00 0.00 C ATOM 678 C GLY A 60 -3.792 -6.279 -4.480 1.00 0.00 C ATOM 679 O GLY A 60 -2.641 -6.169 -4.055 1.00 0.00 O ATOM 0 H GLY A 60 -4.714 -7.208 -2.160 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.889 -6.164 -4.059 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.006 -4.692 -3.709 1.00 0.00 H new ATOM 683 N THR A 61 -4.084 -6.871 -5.626 1.00 0.00 N ATOM 684 CA THR A 61 -3.044 -7.432 -6.464 1.00 0.00 C ATOM 685 C THR A 61 -2.053 -6.352 -6.889 1.00 0.00 C ATOM 686 O THR A 61 -2.444 -5.254 -7.295 1.00 0.00 O ATOM 687 CB THR A 61 -3.639 -8.140 -7.689 1.00 0.00 C ATOM 688 OG1 THR A 61 -4.638 -7.317 -8.306 1.00 0.00 O ATOM 689 CG2 THR A 61 -4.238 -9.474 -7.286 1.00 0.00 C ATOM 0 H THR A 61 -5.030 -6.974 -5.994 1.00 0.00 H new ATOM 0 HA THR A 61 -2.507 -8.178 -5.878 1.00 0.00 H new ATOM 0 HB THR A 61 -2.840 -8.317 -8.408 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.007 -7.780 -9.087 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.656 -9.965 -8.164 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.462 -10.105 -6.852 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.026 -9.312 -6.551 1.00 0.00 H new ATOM 697 N PRO A 62 -0.754 -6.671 -6.785 1.00 0.00 N ATOM 698 CA PRO A 62 0.340 -5.705 -6.932 1.00 0.00 C ATOM 699 C PRO A 62 0.447 -5.084 -8.317 1.00 0.00 C ATOM 700 O PRO A 62 -0.223 -5.511 -9.253 1.00 0.00 O ATOM 701 CB PRO A 62 1.599 -6.525 -6.630 1.00 0.00 C ATOM 702 CG PRO A 62 1.120 -7.773 -5.973 1.00 0.00 C ATOM 703 CD PRO A 62 -0.254 -8.021 -6.514 1.00 0.00 C ATOM 0 HA PRO A 62 0.182 -4.855 -6.269 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.148 -6.750 -7.544 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.277 -5.975 -5.978 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.783 -8.610 -6.193 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.098 -7.660 -4.889 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.227 -8.630 -7.418 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.882 -8.546 -5.794 1.00 0.00 H new ATOM 711 N LEU A 63 1.316 -4.093 -8.426 1.00 0.00 N ATOM 712 CA LEU A 63 1.499 -3.313 -9.646 1.00 0.00 C ATOM 713 C LEU A 63 1.685 -4.218 -10.857 1.00 0.00 C ATOM 714 O LEU A 63 1.034 -4.035 -11.889 1.00 0.00 O ATOM 715 CB LEU A 63 2.726 -2.427 -9.469 1.00 0.00 C ATOM 716 CG LEU A 63 2.811 -1.732 -8.109 1.00 0.00 C ATOM 717 CD1 LEU A 63 4.243 -1.320 -7.827 1.00 0.00 C ATOM 718 CD2 LEU A 63 1.886 -0.524 -8.064 1.00 0.00 C ATOM 0 H LEU A 63 1.924 -3.801 -7.661 1.00 0.00 H new ATOM 0 HA LEU A 63 0.610 -2.707 -9.820 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.621 -3.033 -9.610 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.728 -1.669 -10.252 1.00 0.00 H new ATOM 0 HG LEU A 63 2.489 -2.432 -7.338 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.295 -0.826 -6.857 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.881 -2.204 -7.819 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.584 -0.634 -8.602 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.962 -0.044 -7.088 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.175 0.185 -8.840 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.858 -0.846 -8.231 1.00 0.00 H new ATOM 730 N MET A 64 2.560 -5.208 -10.698 1.00 0.00 N ATOM 731 CA MET A 64 2.853 -6.190 -11.747 1.00 0.00 C ATOM 732 C MET A 64 1.599 -6.905 -12.264 1.00 0.00 C ATOM 733 O MET A 64 1.658 -7.598 -13.278 1.00 0.00 O ATOM 734 CB MET A 64 3.867 -7.229 -11.246 1.00 0.00 C ATOM 735 CG MET A 64 3.677 -7.658 -9.793 1.00 0.00 C ATOM 736 SD MET A 64 4.374 -6.474 -8.625 1.00 0.00 S ATOM 737 CE MET A 64 4.700 -7.559 -7.243 1.00 0.00 C ATOM 0 H MET A 64 3.088 -5.355 -9.838 1.00 0.00 H new ATOM 0 HA MET A 64 3.276 -5.630 -12.581 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.806 -8.112 -11.882 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.871 -6.822 -11.362 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.613 -7.780 -9.590 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.144 -8.631 -9.641 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.224 -7.161 -6.347 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.300 -8.550 -7.456 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.776 -7.629 -7.081 1.00 0.00 H new ATOM 747 N SER A 65 0.485 -6.758 -11.544 1.00 0.00 N ATOM 748 CA SER A 65 -0.810 -7.310 -11.954 1.00 0.00 C ATOM 749 C SER A 65 -0.827 -8.835 -11.837 1.00 0.00 C ATOM 750 O SER A 65 -1.822 -9.490 -12.152 1.00 0.00 O ATOM 751 CB SER A 65 -1.153 -6.862 -13.380 1.00 0.00 C ATOM 752 OG SER A 65 -2.527 -7.052 -13.673 1.00 0.00 O ATOM 0 H SER A 65 0.454 -6.252 -10.659 1.00 0.00 H new ATOM 0 HA SER A 65 -1.573 -6.923 -11.279 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.897 -5.810 -13.502 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.548 -7.422 -14.093 1.00 0.00 H new ATOM 0 HG SER A 65 -2.826 -7.907 -13.299 1.00 0.00 H new ATOM 758 N ASP A 66 0.278 -9.385 -11.370 1.00 0.00 N ATOM 759 CA ASP A 66 0.381 -10.804 -11.079 1.00 0.00 C ATOM 760 C ASP A 66 1.257 -11.006 -9.863 1.00 0.00 C ATOM 761 O ASP A 66 2.482 -10.901 -9.926 1.00 0.00 O ATOM 762 CB ASP A 66 0.916 -11.602 -12.268 1.00 0.00 C ATOM 763 CG ASP A 66 1.278 -13.034 -11.897 1.00 0.00 C ATOM 764 OD1 ASP A 66 0.597 -13.624 -11.031 1.00 0.00 O ATOM 765 OD2 ASP A 66 2.251 -13.574 -12.471 1.00 0.00 O ATOM 0 H ASP A 66 1.132 -8.860 -11.181 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.622 -11.180 -10.876 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.167 -11.614 -13.059 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.797 -11.101 -12.670 1.00 0.00 H new ATOM 770 N PRO A 67 0.614 -11.260 -8.730 1.00 0.00 N ATOM 771 CA PRO A 67 1.294 -11.480 -7.457 1.00 0.00 C ATOM 772 C PRO A 67 2.085 -12.786 -7.432 1.00 0.00 C ATOM 773 O PRO A 67 3.072 -12.910 -6.712 1.00 0.00 O ATOM 774 CB PRO A 67 0.135 -11.534 -6.453 1.00 0.00 C ATOM 775 CG PRO A 67 -1.055 -11.942 -7.253 1.00 0.00 C ATOM 776 CD PRO A 67 -0.851 -11.342 -8.612 1.00 0.00 C ATOM 0 HA PRO A 67 2.031 -10.705 -7.246 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.338 -12.249 -5.656 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.022 -10.565 -5.980 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.135 -13.028 -7.312 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.977 -11.579 -6.798 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.283 -11.964 -9.395 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.317 -10.360 -8.692 1.00 0.00 H new ATOM 784 N PHE A 68 1.663 -13.744 -8.247 1.00 0.00 N ATOM 785 CA PHE A 68 2.234 -15.077 -8.232 1.00 0.00 C ATOM 786 C PHE A 68 3.465 -15.170 -9.131 1.00 0.00 C ATOM 787 O PHE A 68 3.940 -16.265 -9.435 1.00 0.00 O ATOM 788 CB PHE A 68 1.179 -16.081 -8.688 1.00 0.00 C ATOM 789 CG PHE A 68 -0.130 -15.941 -7.964 1.00 0.00 C ATOM 790 CD1 PHE A 68 -0.159 -15.735 -6.593 1.00 0.00 C ATOM 791 CD2 PHE A 68 -1.328 -16.002 -8.652 1.00 0.00 C ATOM 792 CE1 PHE A 68 -1.360 -15.596 -5.925 1.00 0.00 C ATOM 793 CE2 PHE A 68 -2.533 -15.862 -7.989 1.00 0.00 C ATOM 794 CZ PHE A 68 -2.548 -15.661 -6.624 1.00 0.00 C ATOM 0 H PHE A 68 0.919 -13.616 -8.933 1.00 0.00 H new ATOM 0 HA PHE A 68 2.550 -15.304 -7.214 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.009 -15.958 -9.758 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.561 -17.091 -8.540 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.768 -15.683 -6.041 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.322 -16.161 -9.720 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.369 -15.437 -4.857 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.461 -15.910 -8.539 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.488 -15.555 -6.103 1.00 0.00 H new ATOM 804 N GLY A 69 3.970 -14.026 -9.567 1.00 0.00 N ATOM 805 CA GLY A 69 5.140 -14.019 -10.420 1.00 0.00 C ATOM 806 C GLY A 69 6.396 -13.651 -9.665 1.00 0.00 C ATOM 807 O GLY A 69 7.505 -13.928 -10.116 1.00 0.00 O ATOM 0 H GLY A 69 3.592 -13.105 -9.346 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.265 -15.004 -10.871 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.988 -13.312 -11.236 1.00 0.00 H new ATOM 811 N THR A 70 6.222 -13.008 -8.524 1.00 0.00 N ATOM 812 CA THR A 70 7.347 -12.560 -7.727 1.00 0.00 C ATOM 813 C THR A 70 7.224 -13.080 -6.293 1.00 0.00 C ATOM 814 O THR A 70 6.196 -13.647 -5.919 1.00 0.00 O ATOM 815 CB THR A 70 7.421 -11.021 -7.726 1.00 0.00 C ATOM 816 OG1 THR A 70 8.692 -10.575 -7.244 1.00 0.00 O ATOM 817 CG2 THR A 70 6.328 -10.438 -6.858 1.00 0.00 C ATOM 0 H THR A 70 5.309 -12.784 -8.129 1.00 0.00 H new ATOM 0 HA THR A 70 8.262 -12.956 -8.166 1.00 0.00 H new ATOM 0 HB THR A 70 7.288 -10.681 -8.753 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.720 -9.595 -7.253 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.396 -9.350 -6.869 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.355 -10.745 -7.243 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.444 -10.798 -5.836 1.00 0.00 H new ATOM 825 N ASN A 71 8.265 -12.869 -5.498 1.00 0.00 N ATOM 826 CA ASN A 71 8.267 -13.284 -4.097 1.00 0.00 C ATOM 827 C ASN A 71 8.508 -12.077 -3.200 1.00 0.00 C ATOM 828 O ASN A 71 8.760 -12.213 -2.000 1.00 0.00 O ATOM 829 CB ASN A 71 9.345 -14.346 -3.829 1.00 0.00 C ATOM 830 CG ASN A 71 9.023 -15.707 -4.425 1.00 0.00 C ATOM 831 OD1 ASN A 71 8.383 -15.817 -5.471 1.00 0.00 O ATOM 832 ND2 ASN A 71 9.468 -16.761 -3.757 1.00 0.00 N ATOM 0 H ASN A 71 9.125 -12.410 -5.800 1.00 0.00 H new ATOM 0 HA ASN A 71 7.293 -13.721 -3.875 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.295 -13.997 -4.234 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.478 -14.453 -2.752 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.283 -17.701 -4.106 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.995 -16.632 -2.893 1.00 0.00 H new ATOM 839 N THR A 72 8.457 -10.894 -3.801 1.00 0.00 N ATOM 840 CA THR A 72 8.680 -9.651 -3.094 1.00 0.00 C ATOM 841 C THR A 72 7.691 -8.587 -3.573 1.00 0.00 C ATOM 842 O THR A 72 7.742 -8.150 -4.724 1.00 0.00 O ATOM 843 CB THR A 72 10.114 -9.164 -3.330 1.00 0.00 C ATOM 844 OG1 THR A 72 11.039 -10.223 -3.037 1.00 0.00 O ATOM 845 CG2 THR A 72 10.414 -7.973 -2.451 1.00 0.00 C ATOM 0 H THR A 72 8.259 -10.776 -4.795 1.00 0.00 H new ATOM 0 HA THR A 72 8.530 -9.823 -2.028 1.00 0.00 H new ATOM 0 HB THR A 72 10.217 -8.868 -4.374 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.955 -9.909 -3.190 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.436 -7.638 -2.629 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.721 -7.165 -2.684 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.302 -8.256 -1.404 1.00 0.00 H new ATOM 853 N TRP A 73 6.783 -8.191 -2.695 1.00 0.00 N ATOM 854 CA TRP A 73 5.735 -7.242 -3.056 1.00 0.00 C ATOM 855 C TRP A 73 6.037 -5.865 -2.488 1.00 0.00 C ATOM 856 O TRP A 73 6.590 -5.750 -1.396 1.00 0.00 O ATOM 857 CB TRP A 73 4.381 -7.748 -2.554 1.00 0.00 C ATOM 858 CG TRP A 73 3.958 -9.033 -3.201 1.00 0.00 C ATOM 859 CD1 TRP A 73 4.630 -9.726 -4.164 1.00 0.00 C ATOM 860 CD2 TRP A 73 2.768 -9.776 -2.937 1.00 0.00 C ATOM 861 NE1 TRP A 73 3.938 -10.855 -4.509 1.00 0.00 N ATOM 862 CE2 TRP A 73 2.791 -10.909 -3.772 1.00 0.00 C ATOM 863 CE3 TRP A 73 1.685 -9.597 -2.077 1.00 0.00 C ATOM 864 CZ2 TRP A 73 1.778 -11.855 -3.764 1.00 0.00 C ATOM 865 CZ3 TRP A 73 0.678 -10.538 -2.076 1.00 0.00 C ATOM 866 CH2 TRP A 73 0.731 -11.652 -2.915 1.00 0.00 C ATOM 0 H TRP A 73 6.748 -8.510 -1.727 1.00 0.00 H new ATOM 0 HA TRP A 73 5.698 -7.156 -4.142 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.430 -7.890 -1.474 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.623 -6.987 -2.741 1.00 0.00 H new ATOM 0 HD1 TRP A 73 5.574 -9.426 -4.594 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.231 -11.543 -5.203 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.636 -8.738 -1.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 1.817 -12.722 -4.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.166 -10.411 -1.415 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -0.076 -12.370 -2.891 1.00 0.00 H new ATOM 877 N PHE A 74 5.678 -4.823 -3.231 1.00 0.00 N ATOM 878 CA PHE A 74 5.979 -3.455 -2.823 1.00 0.00 C ATOM 879 C PHE A 74 4.699 -2.635 -2.706 1.00 0.00 C ATOM 880 O PHE A 74 4.022 -2.379 -3.701 1.00 0.00 O ATOM 881 CB PHE A 74 6.921 -2.783 -3.830 1.00 0.00 C ATOM 882 CG PHE A 74 8.088 -3.637 -4.247 1.00 0.00 C ATOM 883 CD1 PHE A 74 9.060 -4.009 -3.334 1.00 0.00 C ATOM 884 CD2 PHE A 74 8.202 -4.070 -5.558 1.00 0.00 C ATOM 885 CE1 PHE A 74 10.126 -4.796 -3.723 1.00 0.00 C ATOM 886 CE2 PHE A 74 9.267 -4.855 -5.951 1.00 0.00 C ATOM 887 CZ PHE A 74 10.230 -5.220 -5.033 1.00 0.00 C ATOM 0 H PHE A 74 5.179 -4.899 -4.117 1.00 0.00 H new ATOM 0 HA PHE A 74 6.468 -3.498 -1.850 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.350 -2.509 -4.717 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.299 -1.858 -3.395 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.984 -3.681 -2.308 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.449 -3.790 -6.280 1.00 0.00 H new ATOM 0 HE1 PHE A 74 10.879 -5.080 -3.002 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.346 -5.183 -6.977 1.00 0.00 H new ATOM 0 HZ PHE A 74 11.063 -5.836 -5.338 1.00 0.00 H new ATOM 897 N TYR A 75 4.365 -2.245 -1.486 1.00 0.00 N ATOM 898 CA TYR A 75 3.212 -1.390 -1.235 1.00 0.00 C ATOM 899 C TYR A 75 3.657 -0.165 -0.451 1.00 0.00 C ATOM 900 O TYR A 75 4.818 -0.078 -0.054 1.00 0.00 O ATOM 901 CB TYR A 75 2.132 -2.153 -0.474 1.00 0.00 C ATOM 902 CG TYR A 75 1.714 -3.432 -1.156 1.00 0.00 C ATOM 903 CD1 TYR A 75 1.239 -3.423 -2.461 1.00 0.00 C ATOM 904 CD2 TYR A 75 1.791 -4.642 -0.491 1.00 0.00 C ATOM 905 CE1 TYR A 75 0.852 -4.591 -3.085 1.00 0.00 C ATOM 906 CE2 TYR A 75 1.408 -5.817 -1.109 1.00 0.00 C ATOM 907 CZ TYR A 75 0.939 -5.785 -2.407 1.00 0.00 C ATOM 908 OH TYR A 75 0.546 -6.946 -3.022 1.00 0.00 O ATOM 0 H TYR A 75 4.880 -2.509 -0.646 1.00 0.00 H new ATOM 0 HA TYR A 75 2.787 -1.072 -2.187 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.497 -2.385 0.526 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.259 -1.511 -0.354 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.172 -2.487 -2.996 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.155 -4.669 0.525 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.483 -4.568 -4.100 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.475 -6.756 -0.579 1.00 0.00 H new ATOM 0 HH TYR A 75 1.189 -7.657 -2.819 1.00 0.00 H new ATOM 918 N VAL A 76 2.757 0.779 -0.225 1.00 0.00 N ATOM 919 CA VAL A 76 3.141 2.031 0.404 1.00 0.00 C ATOM 920 C VAL A 76 2.112 2.451 1.453 1.00 0.00 C ATOM 921 O VAL A 76 1.029 1.874 1.543 1.00 0.00 O ATOM 922 CB VAL A 76 3.327 3.141 -0.656 1.00 0.00 C ATOM 923 CG1 VAL A 76 1.990 3.646 -1.172 1.00 0.00 C ATOM 924 CG2 VAL A 76 4.178 4.280 -0.117 1.00 0.00 C ATOM 0 H VAL A 76 1.768 0.704 -0.464 1.00 0.00 H new ATOM 0 HA VAL A 76 4.095 1.878 0.908 1.00 0.00 H new ATOM 0 HB VAL A 76 3.858 2.703 -1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.158 4.425 -1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.441 2.822 -1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.411 4.054 -0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.291 5.045 -0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.694 4.713 0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.160 3.899 0.163 1.00 0.00 H new ATOM 934 N PHE A 77 2.478 3.446 2.248 1.00 0.00 N ATOM 935 CA PHE A 77 1.641 3.922 3.339 1.00 0.00 C ATOM 936 C PHE A 77 0.786 5.115 2.926 1.00 0.00 C ATOM 937 O PHE A 77 1.022 5.738 1.892 1.00 0.00 O ATOM 938 CB PHE A 77 2.510 4.295 4.543 1.00 0.00 C ATOM 939 CG PHE A 77 2.647 3.186 5.549 1.00 0.00 C ATOM 940 CD1 PHE A 77 2.366 1.877 5.200 1.00 0.00 C ATOM 941 CD2 PHE A 77 3.033 3.460 6.849 1.00 0.00 C ATOM 942 CE1 PHE A 77 2.469 0.862 6.127 1.00 0.00 C ATOM 943 CE2 PHE A 77 3.135 2.449 7.784 1.00 0.00 C ATOM 944 CZ PHE A 77 2.853 1.147 7.422 1.00 0.00 C ATOM 0 H PHE A 77 3.363 3.945 2.155 1.00 0.00 H new ATOM 0 HA PHE A 77 0.966 3.111 3.611 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.501 4.581 4.191 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.082 5.169 5.033 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.062 1.648 4.189 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.257 4.477 7.136 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.249 -0.156 5.840 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.435 2.676 8.796 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.933 0.353 8.150 1.00 0.00 H new ATOM 1137 N THR A 90 7.414 1.842 2.965 1.00 0.00 N ATOM 1138 CA THR A 90 6.973 0.825 2.042 1.00 0.00 C ATOM 1139 C THR A 90 6.723 -0.498 2.734 1.00 0.00 C ATOM 1140 O THR A 90 7.427 -0.871 3.677 1.00 0.00 O ATOM 1141 CB THR A 90 8.010 0.633 0.923 1.00 0.00 C ATOM 1142 OG1 THR A 90 9.335 0.592 1.471 1.00 0.00 O ATOM 1143 CG2 THR A 90 7.914 1.752 -0.086 1.00 0.00 C ATOM 0 HA THR A 90 6.030 1.165 1.615 1.00 0.00 H new ATOM 0 HB THR A 90 7.800 -0.313 0.424 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.334 1.001 2.361 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.655 1.599 -0.870 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.917 1.761 -0.526 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.100 2.705 0.409 1.00 0.00 H new ATOM 1151 N LEU A 91 5.710 -1.195 2.263 1.00 0.00 N ATOM 1152 CA LEU A 91 5.435 -2.530 2.732 1.00 0.00 C ATOM 1153 C LEU A 91 6.028 -3.522 1.751 1.00 0.00 C ATOM 1154 O LEU A 91 5.492 -3.724 0.661 1.00 0.00 O ATOM 1155 CB LEU A 91 3.936 -2.797 2.869 1.00 0.00 C ATOM 1156 CG LEU A 91 3.612 -4.105 3.583 1.00 0.00 C ATOM 1157 CD1 LEU A 91 3.833 -3.959 5.070 1.00 0.00 C ATOM 1158 CD2 LEU A 91 2.202 -4.589 3.324 1.00 0.00 C ATOM 0 H LEU A 91 5.063 -0.854 1.552 1.00 0.00 H new ATOM 0 HA LEU A 91 5.881 -2.639 3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.477 -1.972 3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.486 -2.813 1.876 1.00 0.00 H new ATOM 0 HG LEU A 91 4.289 -4.855 3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.598 -4.900 5.567 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.874 -3.699 5.259 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.186 -3.172 5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.034 -5.523 3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.491 -3.839 3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.064 -4.754 2.255 1.00 0.00 H new ATOM 1170 N THR A 92 7.141 -4.112 2.126 1.00 0.00 N ATOM 1171 CA THR A 92 7.795 -5.089 1.285 1.00 0.00 C ATOM 1172 C THR A 92 7.435 -6.475 1.774 1.00 0.00 C ATOM 1173 O THR A 92 7.913 -6.922 2.813 1.00 0.00 O ATOM 1174 CB THR A 92 9.322 -4.909 1.290 1.00 0.00 C ATOM 1175 OG1 THR A 92 9.647 -3.541 1.004 1.00 0.00 O ATOM 1176 CG2 THR A 92 9.971 -5.821 0.259 1.00 0.00 C ATOM 0 H THR A 92 7.614 -3.931 3.012 1.00 0.00 H new ATOM 0 HA THR A 92 7.453 -4.950 0.259 1.00 0.00 H new ATOM 0 HB THR A 92 9.703 -5.175 2.276 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.576 -3.483 0.696 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.052 -5.680 0.277 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.737 -6.859 0.493 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.590 -5.578 -0.733 1.00 0.00 H new ATOM 1184 N LEU A 93 6.569 -7.147 1.055 1.00 0.00 N ATOM 1185 CA LEU A 93 6.087 -8.420 1.522 1.00 0.00 C ATOM 1186 C LEU A 93 7.002 -9.539 1.060 1.00 0.00 C ATOM 1187 O LEU A 93 7.255 -9.698 -0.138 1.00 0.00 O ATOM 1188 CB LEU A 93 4.650 -8.673 1.081 1.00 0.00 C ATOM 1189 CG LEU A 93 3.854 -9.463 2.086 1.00 0.00 C ATOM 1190 CD1 LEU A 93 3.731 -8.659 3.361 1.00 0.00 C ATOM 1191 CD2 LEU A 93 2.492 -9.813 1.551 1.00 0.00 C ATOM 0 H LEU A 93 6.190 -6.839 0.160 1.00 0.00 H new ATOM 0 HA LEU A 93 6.093 -8.398 2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.156 -7.717 0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.657 -9.207 0.131 1.00 0.00 H new ATOM 0 HG LEU A 93 4.374 -10.399 2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.156 -9.225 4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.725 -8.454 3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.224 -7.718 3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.942 -10.383 2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.946 -8.898 1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.599 -10.411 0.646 1.00 0.00 H new ATOM 1203 N THR A 94 7.497 -10.298 2.023 1.00 0.00 N ATOM 1204 CA THR A 94 8.439 -11.347 1.775 1.00 0.00 C ATOM 1205 C THR A 94 7.750 -12.704 1.889 1.00 0.00 C ATOM 1206 O THR A 94 7.136 -13.018 2.919 1.00 0.00 O ATOM 1207 CB THR A 94 9.590 -11.235 2.786 1.00 0.00 C ATOM 1208 OG1 THR A 94 10.384 -10.074 2.512 1.00 0.00 O ATOM 1209 CG2 THR A 94 10.440 -12.474 2.762 1.00 0.00 C ATOM 0 H THR A 94 7.246 -10.192 3.006 1.00 0.00 H new ATOM 0 HA THR A 94 8.840 -11.254 0.766 1.00 0.00 H new ATOM 0 HB THR A 94 9.163 -11.134 3.784 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.367 -9.475 3.288 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.249 -12.374 3.485 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.829 -13.339 3.018 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.859 -12.608 1.765 1.00 0.00 H new ATOM 1217 N PHE A 95 7.835 -13.496 0.829 1.00 0.00 N ATOM 1218 CA PHE A 95 7.130 -14.767 0.779 1.00 0.00 C ATOM 1219 C PHE A 95 8.063 -15.964 0.821 1.00 0.00 C ATOM 1220 O PHE A 95 9.222 -15.902 0.403 1.00 0.00 O ATOM 1221 CB PHE A 95 6.240 -14.837 -0.456 1.00 0.00 C ATOM 1222 CG PHE A 95 4.941 -14.134 -0.263 1.00 0.00 C ATOM 1223 CD1 PHE A 95 3.949 -14.727 0.487 1.00 0.00 C ATOM 1224 CD2 PHE A 95 4.710 -12.890 -0.814 1.00 0.00 C ATOM 1225 CE1 PHE A 95 2.743 -14.101 0.687 1.00 0.00 C ATOM 1226 CE2 PHE A 95 3.505 -12.255 -0.617 1.00 0.00 C ATOM 1227 CZ PHE A 95 2.519 -12.864 0.136 1.00 0.00 C ATOM 0 H PHE A 95 8.383 -13.281 -0.004 1.00 0.00 H new ATOM 0 HA PHE A 95 6.512 -14.814 1.676 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.765 -14.397 -1.304 1.00 0.00 H new ATOM 0 HB3 PHE A 95 6.051 -15.881 -0.705 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.122 -15.699 0.924 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.479 -12.412 -1.403 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.974 -14.580 1.275 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.330 -11.281 -1.051 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.573 -12.367 0.291 1.00 0.00 H new ATOM 1237 N ASN A 96 7.530 -17.046 1.363 1.00 0.00 N ATOM 1238 CA ASN A 96 8.238 -18.310 1.500 1.00 0.00 C ATOM 1239 C ASN A 96 8.341 -19.035 0.162 1.00 0.00 C ATOM 1240 O ASN A 96 7.885 -18.524 -0.861 1.00 0.00 O ATOM 1241 CB ASN A 96 7.482 -19.183 2.494 1.00 0.00 C ATOM 1242 CG ASN A 96 8.368 -20.069 3.317 1.00 0.00 C ATOM 1243 OD1 ASN A 96 9.474 -20.428 2.918 1.00 0.00 O ATOM 1244 ND2 ASN A 96 7.853 -20.455 4.460 1.00 0.00 N ATOM 0 H ASN A 96 6.577 -17.072 1.727 1.00 0.00 H new ATOM 0 HA ASN A 96 9.250 -18.111 1.853 1.00 0.00 H new ATOM 0 HB2 ASN A 96 6.905 -18.542 3.160 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.769 -19.802 1.950 1.00 0.00 H new ATOM 0 HD21 ASN A 96 8.376 -21.085 5.068 1.00 0.00 H new ATOM 0 HD22 ASN A 96 6.930 -20.125 4.741 1.00 0.00 H new ATOM 1251 N SER A 97 8.896 -20.240 0.177 1.00 0.00 N ATOM 1252 CA SER A 97 9.027 -21.034 -1.035 1.00 0.00 C ATOM 1253 C SER A 97 7.656 -21.467 -1.561 1.00 0.00 C ATOM 1254 O SER A 97 7.399 -21.424 -2.765 1.00 0.00 O ATOM 1255 CB SER A 97 9.913 -22.253 -0.768 1.00 0.00 C ATOM 1256 OG SER A 97 9.508 -22.927 0.413 1.00 0.00 O ATOM 0 H SER A 97 9.263 -20.688 1.017 1.00 0.00 H new ATOM 0 HA SER A 97 9.497 -20.418 -1.802 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.863 -22.936 -1.616 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.952 -21.938 -0.673 1.00 0.00 H new ATOM 0 HG SER A 97 10.088 -23.703 0.562 1.00 0.00 H new ATOM 1262 N SER A 98 6.764 -21.860 -0.651 1.00 0.00 N ATOM 1263 CA SER A 98 5.423 -22.285 -1.033 1.00 0.00 C ATOM 1264 C SER A 98 4.562 -21.077 -1.408 1.00 0.00 C ATOM 1265 O SER A 98 3.497 -21.217 -2.014 1.00 0.00 O ATOM 1266 CB SER A 98 4.776 -23.067 0.119 1.00 0.00 C ATOM 1267 OG SER A 98 3.483 -23.541 -0.221 1.00 0.00 O ATOM 0 H SER A 98 6.948 -21.892 0.352 1.00 0.00 H new ATOM 0 HA SER A 98 5.496 -22.935 -1.905 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.412 -23.910 0.387 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.708 -22.427 0.999 1.00 0.00 H new ATOM 0 HG SER A 98 3.078 -22.942 -0.882 1.00 0.00 H new ATOM 1273 N GLY A 99 5.041 -19.887 -1.063 1.00 0.00 N ATOM 1274 CA GLY A 99 4.271 -18.683 -1.297 1.00 0.00 C ATOM 1275 C GLY A 99 3.486 -18.297 -0.067 1.00 0.00 C ATOM 1276 O GLY A 99 2.392 -17.741 -0.158 1.00 0.00 O ATOM 0 H GLY A 99 5.950 -19.736 -0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.939 -17.868 -1.577 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.590 -18.839 -2.134 1.00 0.00 H new ATOM 1280 N VAL A 100 4.045 -18.623 1.087 1.00 0.00 N ATOM 1281 CA VAL A 100 3.422 -18.323 2.361 1.00 0.00 C ATOM 1282 C VAL A 100 4.089 -17.096 2.966 1.00 0.00 C ATOM 1283 O VAL A 100 5.302 -16.937 2.850 1.00 0.00 O ATOM 1284 CB VAL A 100 3.580 -19.519 3.321 1.00 0.00 C ATOM 1285 CG1 VAL A 100 2.779 -19.313 4.596 1.00 0.00 C ATOM 1286 CG2 VAL A 100 3.180 -20.813 2.629 1.00 0.00 C ATOM 0 H VAL A 100 4.942 -19.102 1.165 1.00 0.00 H new ATOM 0 HA VAL A 100 2.360 -18.130 2.206 1.00 0.00 H new ATOM 0 HB VAL A 100 4.631 -19.590 3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.911 -20.173 5.252 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.127 -18.413 5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.723 -19.204 4.349 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.298 -21.647 3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.139 -20.749 2.311 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.816 -20.972 1.758 1.00 0.00 H new ATOM 1296 N LEU A 101 3.310 -16.216 3.577 1.00 0.00 N ATOM 1297 CA LEU A 101 3.868 -15.052 4.228 1.00 0.00 C ATOM 1298 C LEU A 101 4.825 -15.443 5.327 1.00 0.00 C ATOM 1299 O LEU A 101 4.484 -16.215 6.223 1.00 0.00 O ATOM 1300 CB LEU A 101 2.770 -14.179 4.799 1.00 0.00 C ATOM 1301 CG LEU A 101 2.470 -12.941 3.977 1.00 0.00 C ATOM 1302 CD1 LEU A 101 1.474 -12.063 4.699 1.00 0.00 C ATOM 1303 CD2 LEU A 101 3.747 -12.176 3.696 1.00 0.00 C ATOM 0 H LEU A 101 2.294 -16.290 3.633 1.00 0.00 H new ATOM 0 HA LEU A 101 4.417 -14.490 3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.860 -14.772 4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.051 -13.873 5.807 1.00 0.00 H new ATOM 0 HG LEU A 101 2.035 -13.248 3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.267 -11.177 4.098 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.549 -12.617 4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.886 -11.760 5.661 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.517 -11.289 3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.206 -11.875 4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.438 -12.812 3.143 1.00 0.00 H new ATOM 1315 N THR A 102 6.019 -14.903 5.240 1.00 0.00 N ATOM 1316 CA THR A 102 7.032 -15.141 6.245 1.00 0.00 C ATOM 1317 C THR A 102 7.330 -13.860 6.986 1.00 0.00 C ATOM 1318 O THR A 102 7.396 -13.831 8.218 1.00 0.00 O ATOM 1319 CB THR A 102 8.321 -15.684 5.614 1.00 0.00 C ATOM 1320 OG1 THR A 102 8.819 -14.771 4.625 1.00 0.00 O ATOM 1321 CG2 THR A 102 8.033 -17.010 4.966 1.00 0.00 C ATOM 0 H THR A 102 6.315 -14.292 4.479 1.00 0.00 H new ATOM 0 HA THR A 102 6.650 -15.887 6.941 1.00 0.00 H new ATOM 0 HB THR A 102 9.074 -15.803 6.393 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.642 -15.131 4.233 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.946 -17.401 4.516 1.00 0.00 H new ATOM 0 HG22 THR A 102 7.670 -17.711 5.718 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.274 -16.881 4.194 1.00 0.00 H new ATOM 1329 N ASN A 103 7.475 -12.792 6.221 1.00 0.00 N ATOM 1330 CA ASN A 103 7.775 -11.481 6.797 1.00 0.00 C ATOM 1331 C ASN A 103 6.947 -10.385 6.148 1.00 0.00 C ATOM 1332 O ASN A 103 6.531 -10.492 4.994 1.00 0.00 O ATOM 1333 CB ASN A 103 9.256 -11.098 6.647 1.00 0.00 C ATOM 1334 CG ASN A 103 10.215 -11.929 7.489 1.00 0.00 C ATOM 1335 OD1 ASN A 103 9.993 -13.106 7.746 1.00 0.00 O ATOM 1336 ND2 ASN A 103 11.306 -11.314 7.917 1.00 0.00 N ATOM 0 H ASN A 103 7.392 -12.800 5.204 1.00 0.00 H new ATOM 0 HA ASN A 103 7.529 -11.567 7.855 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.538 -11.194 5.598 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.375 -10.048 6.915 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.991 -11.821 8.478 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.462 -10.333 7.686 1.00 0.00 H new ATOM 1343 N ILE A 104 6.734 -9.330 6.915 1.00 0.00 N ATOM 1344 CA ILE A 104 6.100 -8.110 6.427 1.00 0.00 C ATOM 1345 C ILE A 104 7.092 -6.968 6.618 1.00 0.00 C ATOM 1346 O ILE A 104 7.144 -6.381 7.697 1.00 0.00 O ATOM 1347 CB ILE A 104 4.818 -7.738 7.220 1.00 0.00 C ATOM 1348 CG1 ILE A 104 4.027 -8.974 7.682 1.00 0.00 C ATOM 1349 CG2 ILE A 104 3.934 -6.795 6.405 1.00 0.00 C ATOM 1350 CD1 ILE A 104 3.350 -9.755 6.583 1.00 0.00 C ATOM 0 H ILE A 104 6.996 -9.292 7.900 1.00 0.00 H new ATOM 0 HA ILE A 104 5.822 -8.273 5.386 1.00 0.00 H new ATOM 0 HB ILE A 104 5.142 -7.221 8.123 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.705 -9.641 8.214 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.269 -8.653 8.397 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.041 -6.547 6.979 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.486 -5.883 6.180 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.643 -7.282 5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.821 -10.605 7.014 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.641 -9.111 6.063 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.099 -10.114 5.877 1.00 0.00 H new ATOM 1362 N ASP A 105 7.881 -6.660 5.602 1.00 0.00 N ATOM 1363 CA ASP A 105 8.908 -5.637 5.735 1.00 0.00 C ATOM 1364 C ASP A 105 8.297 -4.246 5.646 1.00 0.00 C ATOM 1365 O ASP A 105 8.083 -3.719 4.559 1.00 0.00 O ATOM 1366 CB ASP A 105 9.982 -5.808 4.660 1.00 0.00 C ATOM 1367 CG ASP A 105 10.909 -6.975 4.927 1.00 0.00 C ATOM 1368 OD1 ASP A 105 11.916 -6.784 5.643 1.00 0.00 O ATOM 1369 OD2 ASP A 105 10.650 -8.083 4.411 1.00 0.00 O ATOM 0 H ASP A 105 7.832 -7.099 4.683 1.00 0.00 H new ATOM 0 HA ASP A 105 9.373 -5.751 6.714 1.00 0.00 H new ATOM 0 HB2 ASP A 105 9.500 -5.949 3.692 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.570 -4.893 4.593 1.00 0.00 H new ATOM 1374 N ASN A 106 8.027 -3.656 6.798 1.00 0.00 N ATOM 1375 CA ASN A 106 7.447 -2.322 6.857 1.00 0.00 C ATOM 1376 C ASN A 106 8.460 -1.338 7.407 1.00 0.00 C ATOM 1377 O ASN A 106 8.736 -1.299 8.608 1.00 0.00 O ATOM 1378 CB ASN A 106 6.174 -2.327 7.706 1.00 0.00 C ATOM 1379 CG ASN A 106 5.664 -0.934 8.041 1.00 0.00 C ATOM 1380 OD1 ASN A 106 5.867 0.023 7.291 1.00 0.00 O ATOM 1381 ND2 ASN A 106 4.997 -0.810 9.178 1.00 0.00 N ATOM 0 H ASN A 106 8.200 -4.080 7.709 1.00 0.00 H new ATOM 0 HA ASN A 106 7.177 -2.011 5.848 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.394 -2.873 7.175 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.367 -2.868 8.633 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.632 0.100 9.458 1.00 0.00 H new ATOM 0 HD22 ASN A 106 4.848 -1.625 9.773 1.00 0.00 H new ATOM 1388 N LYS A 107 9.010 -0.549 6.510 1.00 0.00 N ATOM 1389 CA LYS A 107 10.059 0.396 6.840 1.00 0.00 C ATOM 1390 C LYS A 107 9.991 1.595 5.891 1.00 0.00 C ATOM 1391 O LYS A 107 9.315 1.538 4.868 1.00 0.00 O ATOM 1392 CB LYS A 107 11.421 -0.296 6.723 1.00 0.00 C ATOM 1393 CG LYS A 107 11.886 -0.486 5.294 1.00 0.00 C ATOM 1394 CD LYS A 107 11.078 -1.548 4.564 1.00 0.00 C ATOM 1395 CE LYS A 107 11.504 -1.686 3.111 1.00 0.00 C ATOM 1396 NZ LYS A 107 12.889 -2.210 2.980 1.00 0.00 N ATOM 0 H LYS A 107 8.742 -0.544 5.526 1.00 0.00 H new ATOM 0 HA LYS A 107 9.925 0.750 7.862 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.164 0.291 7.263 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.367 -1.269 7.211 1.00 0.00 H new ATOM 0 HG2 LYS A 107 11.807 0.460 4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.939 -0.767 5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.197 -2.506 5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 107 10.019 -1.293 4.609 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.814 -2.353 2.594 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.437 -0.715 2.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 13.095 -2.400 1.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.562 -1.506 3.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 12.980 -3.091 3.525 1.00 0.00 H new