USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 480 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 109 MET CE :methyl 179:sc= -0.804 (180deg=-0.828) USER MOD Set 1.2: A 124 MET CE :methyl -148:sc= 0 (180deg=0) USER MOD Set 2.1: A 107 HIS : no HE2:sc= -4.05! C(o=-9!,f=-10!) USER MOD Set 2.2: A 111 ASN : amide:sc= -4.97! C(o=-9!,f=-4.3!) USER MOD Set 3.1: A 101 SER OG : rot 180:sc= 0.0748 USER MOD Set 3.2: A 135 GLN : amide:sc= -6.03! C(o=-6!,f=-3!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -4.22! C(o=-4.2!,f=-17!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 74:sc= 0.808 USER MOD Single : A 115 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0325) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 137 ASN : amide:sc= -1.55! K(o=-1.5!,f=-0.0043) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.18) USER MOD Single : A 144 MET CE :methyl -160:sc= -0.0712 (180deg=-0.261) USER MOD Single : A 145 MET CE :methyl 166:sc= -0.469 (180deg=-0.97) USER MOD Single : A 146 THR OG1 : rot 83:sc= 0.327 USER MOD ----------------------------------------------------------------- ATOM 381 N GLU A 82 2.456 -13.484 -8.170 1.00 0.00 N ATOM 382 CA GLU A 82 1.674 -12.586 -9.010 1.00 0.00 C ATOM 383 C GLU A 82 0.196 -12.945 -8.954 1.00 0.00 C ATOM 384 O GLU A 82 -0.669 -12.070 -9.011 1.00 0.00 O ATOM 385 CB GLU A 82 2.167 -12.671 -10.460 1.00 0.00 C ATOM 386 CG GLU A 82 1.982 -14.099 -10.978 1.00 0.00 C ATOM 387 CD GLU A 82 2.581 -14.228 -12.375 1.00 0.00 C ATOM 388 OE1 GLU A 82 3.662 -13.703 -12.585 1.00 0.00 O ATOM 389 OE2 GLU A 82 1.950 -14.849 -13.214 1.00 0.00 O ATOM 0 HA GLU A 82 1.801 -11.569 -8.638 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.613 -11.971 -11.085 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.218 -12.386 -10.516 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.462 -14.805 -10.301 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.922 -14.351 -11.003 1.00 0.00 H new ATOM 396 N GLU A 83 -0.091 -14.238 -8.841 1.00 0.00 N ATOM 397 CA GLU A 83 -1.471 -14.700 -8.788 1.00 0.00 C ATOM 398 C GLU A 83 -2.164 -14.192 -7.531 1.00 0.00 C ATOM 399 O GLU A 83 -3.329 -13.794 -7.570 1.00 0.00 O ATOM 400 CB GLU A 83 -1.508 -16.233 -8.806 1.00 0.00 C ATOM 401 CG GLU A 83 -0.995 -16.741 -10.155 1.00 0.00 C ATOM 402 CD GLU A 83 -0.985 -18.266 -10.169 1.00 0.00 C ATOM 403 OE1 GLU A 83 -1.370 -18.850 -9.168 1.00 0.00 O ATOM 404 OE2 GLU A 83 -0.594 -18.828 -11.179 1.00 0.00 O ATOM 0 H GLU A 83 0.608 -14.978 -8.785 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.996 -14.309 -9.660 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.894 -16.632 -7.998 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.526 -16.585 -8.636 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.629 -16.366 -10.959 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.010 -16.361 -10.338 1.00 0.00 H new ATOM 411 N GLU A 84 -1.441 -14.204 -6.416 1.00 0.00 N ATOM 412 CA GLU A 84 -2.001 -13.747 -5.149 1.00 0.00 C ATOM 413 C GLU A 84 -2.363 -12.269 -5.223 1.00 0.00 C ATOM 414 O GLU A 84 -3.395 -11.846 -4.701 1.00 0.00 O ATOM 415 CB GLU A 84 -0.991 -13.975 -4.022 1.00 0.00 C ATOM 416 CG GLU A 84 -0.817 -15.476 -3.785 1.00 0.00 C ATOM 417 CD GLU A 84 -2.094 -16.064 -3.193 1.00 0.00 C ATOM 418 OE1 GLU A 84 -2.866 -15.305 -2.629 1.00 0.00 O ATOM 419 OE2 GLU A 84 -2.281 -17.263 -3.312 1.00 0.00 O ATOM 0 H GLU A 84 -0.473 -14.523 -6.363 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.907 -14.318 -4.946 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.033 -13.524 -4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.335 -13.490 -3.108 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.579 -15.975 -4.724 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.020 -15.651 -3.110 1.00 0.00 H new ATOM 426 N ILE A 85 -1.507 -11.489 -5.873 1.00 0.00 N ATOM 427 CA ILE A 85 -1.748 -10.057 -6.009 1.00 0.00 C ATOM 428 C ILE A 85 -3.005 -9.804 -6.841 1.00 0.00 C ATOM 429 O ILE A 85 -3.827 -8.956 -6.496 1.00 0.00 O ATOM 430 CB ILE A 85 -0.547 -9.387 -6.678 1.00 0.00 C ATOM 431 CG1 ILE A 85 0.661 -9.457 -5.741 1.00 0.00 C ATOM 432 CG2 ILE A 85 -0.875 -7.920 -6.971 1.00 0.00 C ATOM 433 CD1 ILE A 85 1.920 -9.027 -6.496 1.00 0.00 C ATOM 0 H ILE A 85 -0.647 -11.820 -6.311 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.891 -9.634 -5.015 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.319 -9.902 -7.611 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.503 -8.810 -4.878 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.781 -10.471 -5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.018 -7.444 -7.448 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.737 -7.866 -7.636 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.104 -7.405 -6.038 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.780 -9.077 -5.828 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.080 -9.692 -7.344 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.798 -8.005 -6.854 1.00 0.00 H new ATOM 445 N ARG A 86 -3.139 -10.540 -7.939 1.00 0.00 N ATOM 446 CA ARG A 86 -4.296 -10.383 -8.812 1.00 0.00 C ATOM 447 C ARG A 86 -5.583 -10.704 -8.061 1.00 0.00 C ATOM 448 O ARG A 86 -6.570 -9.973 -8.159 1.00 0.00 O ATOM 449 CB ARG A 86 -4.165 -11.310 -10.022 1.00 0.00 C ATOM 450 CG ARG A 86 -5.348 -11.088 -10.966 1.00 0.00 C ATOM 451 CD ARG A 86 -5.148 -11.912 -12.239 1.00 0.00 C ATOM 452 NE ARG A 86 -4.010 -11.402 -12.996 1.00 0.00 N ATOM 453 CZ ARG A 86 -3.671 -11.931 -14.167 1.00 0.00 C ATOM 454 NH1 ARG A 86 -4.291 -12.991 -14.609 1.00 0.00 N ATOM 455 NH2 ARG A 86 -2.717 -11.392 -14.875 1.00 0.00 N ATOM 0 H ARG A 86 -2.468 -11.245 -8.244 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.335 -9.347 -9.149 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.228 -11.114 -10.544 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.137 -12.350 -9.696 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.277 -11.377 -10.475 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.435 -10.030 -11.215 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.983 -12.958 -11.981 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.049 -11.873 -12.852 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.465 -10.626 -12.620 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.036 -13.414 -14.056 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.030 -13.397 -15.508 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.231 -10.564 -14.530 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.457 -11.798 -15.774 1.00 0.00 H new ATOM 469 N GLU A 87 -5.566 -11.799 -7.309 1.00 0.00 N ATOM 470 CA GLU A 87 -6.737 -12.206 -6.540 1.00 0.00 C ATOM 471 C GLU A 87 -7.034 -11.195 -5.438 1.00 0.00 C ATOM 472 O GLU A 87 -8.191 -10.856 -5.188 1.00 0.00 O ATOM 473 CB GLU A 87 -6.506 -13.585 -5.923 1.00 0.00 C ATOM 474 CG GLU A 87 -6.490 -14.645 -7.026 1.00 0.00 C ATOM 475 CD GLU A 87 -6.151 -16.009 -6.434 1.00 0.00 C ATOM 476 OE1 GLU A 87 -5.918 -16.072 -5.238 1.00 0.00 O ATOM 477 OE2 GLU A 87 -6.131 -16.970 -7.185 1.00 0.00 O ATOM 0 H GLU A 87 -4.760 -12.417 -7.215 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.592 -12.251 -7.215 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.562 -13.597 -5.379 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.292 -13.808 -5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.462 -14.684 -7.518 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.758 -14.378 -7.788 1.00 0.00 H new ATOM 484 N ALA A 88 -5.982 -10.714 -4.786 1.00 0.00 N ATOM 485 CA ALA A 88 -6.146 -9.746 -3.706 1.00 0.00 C ATOM 486 C ALA A 88 -6.925 -8.529 -4.198 1.00 0.00 C ATOM 487 O ALA A 88 -7.769 -7.993 -3.478 1.00 0.00 O ATOM 488 CB ALA A 88 -4.772 -9.295 -3.201 1.00 0.00 C ATOM 0 H ALA A 88 -5.016 -10.974 -4.983 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.698 -10.220 -2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.900 -8.572 -2.395 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.219 -10.158 -2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.218 -8.833 -4.018 1.00 0.00 H new ATOM 494 N PHE A 89 -6.647 -8.105 -5.425 1.00 0.00 N ATOM 495 CA PHE A 89 -7.332 -6.951 -5.997 1.00 0.00 C ATOM 496 C PHE A 89 -8.842 -7.173 -5.990 1.00 0.00 C ATOM 497 O PHE A 89 -9.607 -6.283 -5.613 1.00 0.00 O ATOM 498 CB PHE A 89 -6.855 -6.722 -7.434 1.00 0.00 C ATOM 499 CG PHE A 89 -7.460 -5.446 -7.966 1.00 0.00 C ATOM 500 CD1 PHE A 89 -6.800 -4.226 -7.775 1.00 0.00 C ATOM 501 CD2 PHE A 89 -8.680 -5.481 -8.652 1.00 0.00 C ATOM 502 CE1 PHE A 89 -7.359 -3.042 -8.269 1.00 0.00 C ATOM 503 CE2 PHE A 89 -9.240 -4.297 -9.147 1.00 0.00 C ATOM 504 CZ PHE A 89 -8.580 -3.078 -8.954 1.00 0.00 C ATOM 0 H PHE A 89 -5.958 -8.538 -6.039 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.100 -6.074 -5.393 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.767 -6.661 -7.462 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.143 -7.564 -8.063 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.859 -4.199 -7.246 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -9.189 -6.422 -8.799 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.849 -2.101 -8.122 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -10.180 -4.324 -9.677 1.00 0.00 H new ATOM 0 HZ PHE A 89 -9.013 -2.164 -9.334 1.00 0.00 H new ATOM 514 N ARG A 90 -9.265 -8.361 -6.409 1.00 0.00 N ATOM 515 CA ARG A 90 -10.686 -8.685 -6.440 1.00 0.00 C ATOM 516 C ARG A 90 -11.276 -8.646 -5.033 1.00 0.00 C ATOM 517 O ARG A 90 -12.348 -8.080 -4.815 1.00 0.00 O ATOM 518 CB ARG A 90 -10.891 -10.079 -7.038 1.00 0.00 C ATOM 519 CG ARG A 90 -10.595 -10.039 -8.538 1.00 0.00 C ATOM 520 CD ARG A 90 -10.902 -11.404 -9.157 1.00 0.00 C ATOM 521 NE ARG A 90 -9.965 -12.405 -8.664 1.00 0.00 N ATOM 522 CZ ARG A 90 -10.024 -13.666 -9.081 1.00 0.00 C ATOM 523 NH1 ARG A 90 -10.353 -13.929 -10.316 1.00 0.00 N ATOM 524 NH2 ARG A 90 -9.753 -14.639 -8.256 1.00 0.00 N ATOM 0 H ARG A 90 -8.650 -9.109 -6.729 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.194 -7.944 -7.058 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.235 -10.797 -6.546 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -11.915 -10.413 -6.867 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.197 -9.267 -9.017 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.550 -9.779 -8.706 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.922 -11.700 -8.914 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.839 -11.341 -10.243 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.252 -12.134 -7.987 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.565 -13.167 -10.961 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.398 -14.896 -10.637 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.496 -14.433 -7.291 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.798 -15.606 -8.576 1.00 0.00 H new ATOM 538 N VAL A 91 -10.568 -9.243 -4.082 1.00 0.00 N ATOM 539 CA VAL A 91 -11.028 -9.268 -2.698 1.00 0.00 C ATOM 540 C VAL A 91 -11.173 -7.847 -2.161 1.00 0.00 C ATOM 541 O VAL A 91 -12.144 -7.529 -1.474 1.00 0.00 O ATOM 542 CB VAL A 91 -10.039 -10.046 -1.830 1.00 0.00 C ATOM 543 CG1 VAL A 91 -10.499 -10.007 -0.371 1.00 0.00 C ATOM 544 CG2 VAL A 91 -9.979 -11.499 -2.306 1.00 0.00 C ATOM 0 H VAL A 91 -9.678 -9.714 -4.242 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.000 -9.760 -2.665 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.050 -9.594 -1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.794 -10.562 0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.544 -8.972 -0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.487 -10.459 -0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.274 -12.055 -1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.968 -11.950 -2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.652 -11.528 -3.345 1.00 0.00 H new ATOM 554 N GLU A 92 -10.201 -6.997 -2.477 1.00 0.00 N ATOM 555 CA GLU A 92 -10.231 -5.613 -2.018 1.00 0.00 C ATOM 556 C GLU A 92 -11.304 -4.828 -2.760 1.00 0.00 C ATOM 557 O GLU A 92 -11.812 -3.823 -2.260 1.00 0.00 O ATOM 558 CB GLU A 92 -8.866 -4.959 -2.250 1.00 0.00 C ATOM 559 CG GLU A 92 -7.817 -5.640 -1.370 1.00 0.00 C ATOM 560 CD GLU A 92 -8.077 -5.318 0.098 1.00 0.00 C ATOM 561 OE1 GLU A 92 -8.913 -4.470 0.359 1.00 0.00 O ATOM 562 OE2 GLU A 92 -7.440 -5.930 0.939 1.00 0.00 O ATOM 0 H GLU A 92 -9.389 -7.240 -3.045 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.462 -5.606 -0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -8.585 -5.042 -3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.916 -3.895 -2.017 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -7.846 -6.719 -1.525 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -6.820 -5.304 -1.653 1.00 0.00 H new ATOM 569 N ASP A 93 -11.654 -5.293 -3.957 1.00 0.00 N ATOM 570 CA ASP A 93 -12.677 -4.624 -4.758 1.00 0.00 C ATOM 571 C ASP A 93 -14.051 -5.231 -4.475 1.00 0.00 C ATOM 572 O ASP A 93 -14.700 -5.767 -5.373 1.00 0.00 O ATOM 573 CB ASP A 93 -12.350 -4.768 -6.244 1.00 0.00 C ATOM 574 CG ASP A 93 -13.239 -3.839 -7.063 1.00 0.00 C ATOM 575 OD1 ASP A 93 -13.898 -3.003 -6.466 1.00 0.00 O ATOM 576 OD2 ASP A 93 -13.249 -3.976 -8.275 1.00 0.00 O ATOM 0 H ASP A 93 -11.249 -6.123 -4.391 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.694 -3.567 -4.492 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.301 -4.530 -6.419 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.499 -5.800 -6.560 1.00 0.00 H new ATOM 581 N LYS A 94 -14.485 -5.143 -3.223 1.00 0.00 N ATOM 582 CA LYS A 94 -15.777 -5.693 -2.831 1.00 0.00 C ATOM 583 C LYS A 94 -16.901 -5.043 -3.625 1.00 0.00 C ATOM 584 O LYS A 94 -17.880 -5.697 -3.987 1.00 0.00 O ATOM 585 CB LYS A 94 -16.006 -5.478 -1.335 1.00 0.00 C ATOM 586 CG LYS A 94 -15.712 -4.020 -0.980 1.00 0.00 C ATOM 587 CD LYS A 94 -16.086 -3.762 0.480 1.00 0.00 C ATOM 588 CE LYS A 94 -15.086 -4.468 1.398 1.00 0.00 C ATOM 589 NZ LYS A 94 -15.183 -3.896 2.770 1.00 0.00 N ATOM 0 H LYS A 94 -13.965 -4.699 -2.466 1.00 0.00 H new ATOM 0 HA LYS A 94 -15.775 -6.762 -3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -17.035 -5.727 -1.074 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -15.361 -6.141 -0.758 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -14.656 -3.802 -1.139 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -16.277 -3.355 -1.634 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -16.087 -2.691 0.682 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -17.095 -4.125 0.677 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -15.292 -5.538 1.423 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -14.074 -4.347 1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -14.504 -4.375 3.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.967 -2.879 2.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -16.147 -4.034 3.136 1.00 0.00 H new ATOM 603 N ASP A 95 -16.760 -3.746 -3.886 1.00 0.00 N ATOM 604 CA ASP A 95 -17.776 -3.016 -4.632 1.00 0.00 C ATOM 605 C ASP A 95 -17.623 -3.261 -6.129 1.00 0.00 C ATOM 606 O ASP A 95 -18.420 -2.780 -6.932 1.00 0.00 O ATOM 607 CB ASP A 95 -17.651 -1.515 -4.346 1.00 0.00 C ATOM 608 CG ASP A 95 -16.231 -1.043 -4.642 1.00 0.00 C ATOM 609 OD1 ASP A 95 -15.402 -1.882 -4.954 1.00 0.00 O ATOM 610 OD2 ASP A 95 -15.994 0.150 -4.554 1.00 0.00 O ATOM 0 H ASP A 95 -15.960 -3.185 -3.594 1.00 0.00 H new ATOM 0 HA ASP A 95 -18.757 -3.370 -4.316 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -18.362 -0.960 -4.957 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -17.900 -1.313 -3.304 1.00 0.00 H new ATOM 615 N GLY A 96 -16.595 -4.020 -6.496 1.00 0.00 N ATOM 616 CA GLY A 96 -16.348 -4.327 -7.899 1.00 0.00 C ATOM 617 C GLY A 96 -16.198 -3.048 -8.718 1.00 0.00 C ATOM 618 O GLY A 96 -16.375 -3.057 -9.936 1.00 0.00 O ATOM 0 H GLY A 96 -15.925 -4.431 -5.846 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -15.444 -4.930 -7.990 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -17.170 -4.923 -8.295 1.00 0.00 H new ATOM 622 N ASN A 97 -15.870 -1.952 -8.042 1.00 0.00 N ATOM 623 CA ASN A 97 -15.696 -0.671 -8.718 1.00 0.00 C ATOM 624 C ASN A 97 -14.429 -0.684 -9.569 1.00 0.00 C ATOM 625 O ASN A 97 -14.255 0.154 -10.453 1.00 0.00 O ATOM 626 CB ASN A 97 -15.613 0.456 -7.690 1.00 0.00 C ATOM 627 CG ASN A 97 -14.336 0.318 -6.867 1.00 0.00 C ATOM 628 OD1 ASN A 97 -13.652 -0.701 -6.948 1.00 0.00 O ATOM 629 ND2 ASN A 97 -13.975 1.290 -6.074 1.00 0.00 N ATOM 0 H ASN A 97 -15.720 -1.924 -7.033 1.00 0.00 H new ATOM 0 HA ASN A 97 -16.555 -0.504 -9.368 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.627 1.422 -8.195 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -16.483 0.426 -7.034 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.123 1.206 -5.519 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.545 2.134 -6.009 1.00 0.00 H new ATOM 636 N GLY A 98 -13.547 -1.641 -9.294 1.00 0.00 N ATOM 637 CA GLY A 98 -12.302 -1.756 -10.044 1.00 0.00 C ATOM 638 C GLY A 98 -11.283 -0.730 -9.570 1.00 0.00 C ATOM 639 O GLY A 98 -10.357 -0.375 -10.299 1.00 0.00 O ATOM 0 H GLY A 98 -13.670 -2.342 -8.564 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.894 -2.760 -9.927 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.499 -1.614 -11.107 1.00 0.00 H new ATOM 643 N TYR A 99 -11.458 -0.253 -8.340 1.00 0.00 N ATOM 644 CA TYR A 99 -10.542 0.732 -7.777 1.00 0.00 C ATOM 645 C TYR A 99 -10.333 0.480 -6.290 1.00 0.00 C ATOM 646 O TYR A 99 -11.241 0.024 -5.591 1.00 0.00 O ATOM 647 CB TYR A 99 -11.101 2.141 -7.983 1.00 0.00 C ATOM 648 CG TYR A 99 -11.332 2.379 -9.456 1.00 0.00 C ATOM 649 CD1 TYR A 99 -10.253 2.682 -10.293 1.00 0.00 C ATOM 650 CD2 TYR A 99 -12.626 2.297 -9.984 1.00 0.00 C ATOM 651 CE1 TYR A 99 -10.467 2.904 -11.660 1.00 0.00 C ATOM 652 CE2 TYR A 99 -12.841 2.519 -11.349 1.00 0.00 C ATOM 653 CZ TYR A 99 -11.761 2.821 -12.187 1.00 0.00 C ATOM 654 OH TYR A 99 -11.973 3.040 -13.533 1.00 0.00 O ATOM 0 H TYR A 99 -12.219 -0.530 -7.720 1.00 0.00 H new ATOM 0 HA TYR A 99 -9.583 0.642 -8.287 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -12.035 2.257 -7.434 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -10.405 2.881 -7.589 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -9.255 2.745 -9.886 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -13.459 2.062 -9.338 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -9.634 3.139 -12.306 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -13.840 2.457 -11.756 1.00 0.00 H new ATOM 0 HH TYR A 99 -12.927 2.943 -13.734 1.00 0.00 H new ATOM 664 N ILE A 100 -9.131 0.781 -5.804 1.00 0.00 N ATOM 665 CA ILE A 100 -8.818 0.584 -4.393 1.00 0.00 C ATOM 666 C ILE A 100 -8.849 1.911 -3.648 1.00 0.00 C ATOM 667 O ILE A 100 -8.034 2.799 -3.901 1.00 0.00 O ATOM 668 CB ILE A 100 -7.430 -0.048 -4.250 1.00 0.00 C ATOM 669 CG1 ILE A 100 -7.299 -1.213 -5.235 1.00 0.00 C ATOM 670 CG2 ILE A 100 -7.247 -0.564 -2.821 1.00 0.00 C ATOM 671 CD1 ILE A 100 -8.469 -2.182 -5.043 1.00 0.00 C ATOM 0 H ILE A 100 -8.365 1.159 -6.361 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.568 -0.080 -3.963 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.666 0.699 -4.465 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -7.289 -0.838 -6.258 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.354 -1.732 -5.076 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.259 -1.014 -2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.342 0.265 -2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.010 -1.312 -2.604 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.374 -3.011 -5.745 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -8.459 -2.567 -4.023 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -9.408 -1.659 -5.224 1.00 0.00 H new ATOM 683 N SER A 101 -9.796 2.044 -2.723 1.00 0.00 N ATOM 684 CA SER A 101 -9.923 3.268 -1.940 1.00 0.00 C ATOM 685 C SER A 101 -9.217 3.116 -0.595 1.00 0.00 C ATOM 686 O SER A 101 -8.737 2.036 -0.255 1.00 0.00 O ATOM 687 CB SER A 101 -11.397 3.593 -1.710 1.00 0.00 C ATOM 688 OG SER A 101 -12.004 3.922 -2.953 1.00 0.00 O ATOM 0 H SER A 101 -10.482 1.324 -2.499 1.00 0.00 H new ATOM 0 HA SER A 101 -9.457 4.082 -2.495 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.904 2.740 -1.259 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.493 4.426 -1.013 1.00 0.00 H new ATOM 0 HG SER A 101 -12.951 4.130 -2.810 1.00 0.00 H new ATOM 694 N ALA A 102 -9.163 4.204 0.166 1.00 0.00 N ATOM 695 CA ALA A 102 -8.509 4.180 1.470 1.00 0.00 C ATOM 696 C ALA A 102 -9.061 3.040 2.321 1.00 0.00 C ATOM 697 O ALA A 102 -8.300 2.275 2.914 1.00 0.00 O ATOM 698 CB ALA A 102 -8.735 5.511 2.190 1.00 0.00 C ATOM 0 H ALA A 102 -9.561 5.107 -0.094 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.441 4.025 1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.244 5.486 3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.318 6.323 1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.804 5.674 2.327 1.00 0.00 H new ATOM 704 N ALA A 103 -10.384 2.932 2.375 1.00 0.00 N ATOM 705 CA ALA A 103 -11.023 1.881 3.162 1.00 0.00 C ATOM 706 C ALA A 103 -10.471 0.514 2.768 1.00 0.00 C ATOM 707 O ALA A 103 -10.090 -0.281 3.628 1.00 0.00 O ATOM 708 CB ALA A 103 -12.534 1.907 2.932 1.00 0.00 C ATOM 0 H ALA A 103 -11.031 3.553 1.888 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.812 2.058 4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -13.005 1.121 3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -12.932 2.876 3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -12.744 1.743 1.875 1.00 0.00 H new ATOM 714 N GLU A 104 -10.427 0.248 1.467 1.00 0.00 N ATOM 715 CA GLU A 104 -9.908 -1.022 0.972 1.00 0.00 C ATOM 716 C GLU A 104 -8.394 -1.088 1.163 1.00 0.00 C ATOM 717 O GLU A 104 -7.841 -2.149 1.452 1.00 0.00 O ATOM 718 CB GLU A 104 -10.245 -1.183 -0.510 1.00 0.00 C ATOM 719 CG GLU A 104 -11.757 -1.048 -0.705 1.00 0.00 C ATOM 720 CD GLU A 104 -12.105 -1.184 -2.183 1.00 0.00 C ATOM 721 OE1 GLU A 104 -11.200 -1.422 -2.965 1.00 0.00 O ATOM 722 OE2 GLU A 104 -13.272 -1.047 -2.511 1.00 0.00 O ATOM 0 H GLU A 104 -10.742 0.890 0.740 1.00 0.00 H new ATOM 0 HA GLU A 104 -10.372 -1.830 1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.723 -0.428 -1.097 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.906 -2.155 -0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.276 -1.814 -0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.096 -0.082 -0.330 1.00 0.00 H new ATOM 729 N LEU A 105 -7.730 0.051 0.998 1.00 0.00 N ATOM 730 CA LEU A 105 -6.282 0.111 1.153 1.00 0.00 C ATOM 731 C LEU A 105 -5.885 -0.229 2.590 1.00 0.00 C ATOM 732 O LEU A 105 -4.838 -0.822 2.836 1.00 0.00 O ATOM 733 CB LEU A 105 -5.777 1.512 0.798 1.00 0.00 C ATOM 734 CG LEU A 105 -4.388 1.409 0.159 1.00 0.00 C ATOM 735 CD1 LEU A 105 -3.881 2.807 -0.190 1.00 0.00 C ATOM 736 CD2 LEU A 105 -3.422 0.740 1.139 1.00 0.00 C ATOM 0 H LEU A 105 -8.169 0.940 0.758 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.830 -0.618 0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.470 1.996 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.732 2.131 1.694 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.450 0.811 -0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.893 2.733 -0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.569 3.279 -0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.819 3.408 0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.434 0.667 0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.359 1.335 2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.784 -0.259 1.382 1.00 0.00 H new ATOM 748 N ARG A 106 -6.734 0.154 3.538 1.00 0.00 N ATOM 749 CA ARG A 106 -6.473 -0.115 4.947 1.00 0.00 C ATOM 750 C ARG A 106 -6.613 -1.605 5.244 1.00 0.00 C ATOM 751 O ARG A 106 -5.922 -2.145 6.106 1.00 0.00 O ATOM 752 CB ARG A 106 -7.430 0.684 5.826 1.00 0.00 C ATOM 753 CG ARG A 106 -7.016 2.158 5.826 1.00 0.00 C ATOM 754 CD ARG A 106 -8.044 2.976 6.610 1.00 0.00 C ATOM 755 NE ARG A 106 -8.068 2.551 8.006 1.00 0.00 N ATOM 756 CZ ARG A 106 -9.136 1.953 8.527 1.00 0.00 C ATOM 757 NH1 ARG A 106 -10.012 1.386 7.740 1.00 0.00 N ATOM 758 NH2 ARG A 106 -9.309 1.931 9.816 1.00 0.00 N ATOM 0 H ARG A 106 -7.606 0.650 3.357 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.451 0.190 5.170 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.450 0.582 5.457 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.419 0.292 6.843 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -6.029 2.270 6.274 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -6.945 2.527 4.803 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -7.799 4.036 6.549 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.032 2.852 6.167 1.00 0.00 H new ATOM 0 HE ARG A 106 -7.250 2.716 8.593 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.876 1.403 6.729 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -10.832 0.927 8.137 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -8.625 2.373 10.430 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -10.129 1.472 10.213 1.00 0.00 H new ATOM 772 N HIS A 107 -7.524 -2.260 4.530 1.00 0.00 N ATOM 773 CA HIS A 107 -7.762 -3.684 4.739 1.00 0.00 C ATOM 774 C HIS A 107 -6.457 -4.463 4.585 1.00 0.00 C ATOM 775 O HIS A 107 -6.180 -5.382 5.357 1.00 0.00 O ATOM 776 CB HIS A 107 -8.783 -4.194 3.718 1.00 0.00 C ATOM 777 CG HIS A 107 -9.342 -5.512 4.183 1.00 0.00 C ATOM 778 ND1 HIS A 107 -8.556 -6.465 4.812 1.00 0.00 N ATOM 779 CD2 HIS A 107 -10.604 -6.043 4.124 1.00 0.00 C ATOM 780 CE1 HIS A 107 -9.349 -7.514 5.101 1.00 0.00 C ATOM 781 NE2 HIS A 107 -10.608 -7.309 4.703 1.00 0.00 N ATOM 0 H HIS A 107 -8.104 -1.832 3.808 1.00 0.00 H new ATOM 0 HA HIS A 107 -8.150 -3.831 5.747 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -9.587 -3.468 3.598 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -8.311 -4.311 2.743 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -7.560 -6.386 5.018 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -11.465 -5.553 3.694 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -9.009 -8.412 5.595 1.00 0.00 H new ATOM 789 N VAL A 108 -5.663 -4.093 3.586 1.00 0.00 N ATOM 790 CA VAL A 108 -4.390 -4.762 3.351 1.00 0.00 C ATOM 791 C VAL A 108 -3.405 -4.459 4.476 1.00 0.00 C ATOM 792 O VAL A 108 -2.728 -5.354 4.980 1.00 0.00 O ATOM 793 CB VAL A 108 -3.799 -4.304 2.016 1.00 0.00 C ATOM 794 CG1 VAL A 108 -2.415 -4.930 1.825 1.00 0.00 C ATOM 795 CG2 VAL A 108 -4.718 -4.744 0.875 1.00 0.00 C ATOM 0 H VAL A 108 -5.876 -3.340 2.932 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.568 -5.837 3.322 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.708 -3.218 2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.996 -4.603 0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.759 -4.617 2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.504 -6.016 1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.298 -4.418 -0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.808 -5.830 0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.703 -4.297 1.009 1.00 0.00 H new ATOM 805 N MET A 109 -3.328 -3.188 4.862 1.00 0.00 N ATOM 806 CA MET A 109 -2.419 -2.776 5.927 1.00 0.00 C ATOM 807 C MET A 109 -2.827 -3.405 7.254 1.00 0.00 C ATOM 808 O MET A 109 -1.983 -3.891 8.005 1.00 0.00 O ATOM 809 CB MET A 109 -2.426 -1.253 6.055 1.00 0.00 C ATOM 810 CG MET A 109 -1.923 -0.624 4.755 1.00 0.00 C ATOM 811 SD MET A 109 -0.167 -1.006 4.538 1.00 0.00 S ATOM 812 CE MET A 109 0.485 0.467 5.368 1.00 0.00 C ATOM 0 H MET A 109 -3.879 -2.431 4.457 1.00 0.00 H new ATOM 0 HA MET A 109 -1.414 -3.115 5.675 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.434 -0.901 6.274 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.793 -0.946 6.888 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.496 -1.004 3.909 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.071 0.456 4.780 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.574 0.432 5.368 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.150 1.360 4.840 1.00 0.00 H new ATOM 0 HE3 MET A 109 0.123 0.496 6.396 1.00 0.00 H new ATOM 822 N THR A 110 -4.125 -3.396 7.533 1.00 0.00 N ATOM 823 CA THR A 110 -4.641 -3.970 8.772 1.00 0.00 C ATOM 824 C THR A 110 -4.325 -5.462 8.833 1.00 0.00 C ATOM 825 O THR A 110 -3.959 -5.987 9.884 1.00 0.00 O ATOM 826 CB THR A 110 -6.149 -3.755 8.865 1.00 0.00 C ATOM 827 OG1 THR A 110 -6.426 -2.361 8.869 1.00 0.00 O ATOM 828 CG2 THR A 110 -6.676 -4.385 10.155 1.00 0.00 C ATOM 0 H THR A 110 -4.838 -2.999 6.921 1.00 0.00 H new ATOM 0 HA THR A 110 -4.160 -3.471 9.613 1.00 0.00 H new ATOM 0 HB THR A 110 -6.638 -4.221 8.009 1.00 0.00 H new ATOM 0 HG1 THR A 110 -6.300 -2.000 7.967 1.00 0.00 H new ATOM 0 HG21 THR A 110 -7.753 -4.231 10.221 1.00 0.00 H new ATOM 0 HG22 THR A 110 -6.461 -5.454 10.152 1.00 0.00 H new ATOM 0 HG23 THR A 110 -6.190 -3.920 11.012 1.00 0.00 H new ATOM 836 N ASN A 111 -4.477 -6.140 7.699 1.00 0.00 N ATOM 837 CA ASN A 111 -4.206 -7.572 7.633 1.00 0.00 C ATOM 838 C ASN A 111 -2.750 -7.853 7.996 1.00 0.00 C ATOM 839 O ASN A 111 -2.448 -8.849 8.655 1.00 0.00 O ATOM 840 CB ASN A 111 -4.495 -8.093 6.224 1.00 0.00 C ATOM 841 CG ASN A 111 -5.998 -8.240 6.020 1.00 0.00 C ATOM 842 OD1 ASN A 111 -6.753 -8.310 6.991 1.00 0.00 O ATOM 843 ND2 ASN A 111 -6.481 -8.289 4.811 1.00 0.00 N ATOM 0 H ASN A 111 -4.784 -5.724 6.820 1.00 0.00 H new ATOM 0 HA ASN A 111 -4.853 -8.083 8.346 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -4.085 -7.407 5.483 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -4.004 -9.055 6.075 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -7.486 -8.385 4.667 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -5.854 -8.231 4.009 1.00 0.00 H new ATOM 850 N LEU A 112 -1.854 -6.975 7.561 1.00 0.00 N ATOM 851 CA LEU A 112 -0.434 -7.141 7.847 1.00 0.00 C ATOM 852 C LEU A 112 -0.148 -6.846 9.314 1.00 0.00 C ATOM 853 O LEU A 112 0.936 -7.141 9.820 1.00 0.00 O ATOM 854 CB LEU A 112 0.389 -6.196 6.968 1.00 0.00 C ATOM 855 CG LEU A 112 0.281 -6.638 5.507 1.00 0.00 C ATOM 856 CD1 LEU A 112 0.866 -5.551 4.602 1.00 0.00 C ATOM 857 CD2 LEU A 112 1.061 -7.942 5.309 1.00 0.00 C ATOM 0 H LEU A 112 -2.083 -6.146 7.013 1.00 0.00 H new ATOM 0 HA LEU A 112 -0.157 -8.173 7.632 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.029 -5.173 7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.432 -6.202 7.285 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.766 -6.799 5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.790 -5.864 3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.312 -4.623 4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.914 -5.390 4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.984 -8.257 4.268 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.109 -7.781 5.563 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.645 -8.716 5.954 1.00 0.00 H new ATOM 869 N GLY A 113 -1.127 -6.260 9.999 1.00 0.00 N ATOM 870 CA GLY A 113 -0.968 -5.930 11.411 1.00 0.00 C ATOM 871 C GLY A 113 -0.556 -4.472 11.584 1.00 0.00 C ATOM 872 O GLY A 113 -0.437 -3.979 12.705 1.00 0.00 O ATOM 0 H GLY A 113 -2.032 -6.006 9.602 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.904 -6.113 11.939 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -0.217 -6.580 11.859 1.00 0.00 H new ATOM 876 N GLU A 114 -0.339 -3.787 10.465 1.00 0.00 N ATOM 877 CA GLU A 114 0.059 -2.383 10.504 1.00 0.00 C ATOM 878 C GLU A 114 -1.161 -1.490 10.676 1.00 0.00 C ATOM 879 O GLU A 114 -2.154 -1.629 9.960 1.00 0.00 O ATOM 880 CB GLU A 114 0.790 -2.010 9.216 1.00 0.00 C ATOM 881 CG GLU A 114 1.335 -0.586 9.331 1.00 0.00 C ATOM 882 CD GLU A 114 2.181 -0.251 8.108 1.00 0.00 C ATOM 883 OE1 GLU A 114 2.527 -1.169 7.382 1.00 0.00 O ATOM 884 OE2 GLU A 114 2.476 0.917 7.916 1.00 0.00 O ATOM 0 H GLU A 114 -0.431 -4.177 9.527 1.00 0.00 H new ATOM 0 HA GLU A 114 0.727 -2.237 11.353 1.00 0.00 H new ATOM 0 HB2 GLU A 114 1.606 -2.709 9.033 1.00 0.00 H new ATOM 0 HB3 GLU A 114 0.111 -2.083 8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 114 0.511 0.122 9.418 1.00 0.00 H new ATOM 0 HG3 GLU A 114 1.935 -0.489 10.236 1.00 0.00 H new ATOM 891 N LYS A 115 -1.087 -0.567 11.634 1.00 0.00 N ATOM 892 CA LYS A 115 -2.198 0.342 11.895 1.00 0.00 C ATOM 893 C LYS A 115 -1.748 1.789 11.763 1.00 0.00 C ATOM 894 O LYS A 115 -0.908 2.264 12.530 1.00 0.00 O ATOM 895 CB LYS A 115 -2.743 0.104 13.306 1.00 0.00 C ATOM 896 CG LYS A 115 -3.981 0.974 13.528 1.00 0.00 C ATOM 897 CD LYS A 115 -4.554 0.704 14.922 1.00 0.00 C ATOM 898 CE LYS A 115 -5.791 1.576 15.144 1.00 0.00 C ATOM 899 NZ LYS A 115 -6.949 0.994 14.409 1.00 0.00 N ATOM 0 H LYS A 115 -0.276 -0.431 12.237 1.00 0.00 H new ATOM 0 HA LYS A 115 -2.982 0.149 11.162 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.997 -0.948 13.437 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -1.980 0.343 14.047 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -3.720 2.028 13.429 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -4.731 0.758 12.767 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -4.816 -0.349 15.021 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -3.804 0.919 15.683 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -6.017 1.640 16.208 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -5.600 2.592 14.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -7.814 1.517 14.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -6.781 1.064 13.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -7.062 -0.005 14.674 1.00 0.00 H new ATOM 913 N LEU A 116 -2.309 2.491 10.783 1.00 0.00 N ATOM 914 CA LEU A 116 -1.953 3.889 10.554 1.00 0.00 C ATOM 915 C LEU A 116 -3.127 4.802 10.891 1.00 0.00 C ATOM 916 O LEU A 116 -4.283 4.376 10.875 1.00 0.00 O ATOM 917 CB LEU A 116 -1.555 4.093 9.091 1.00 0.00 C ATOM 918 CG LEU A 116 -0.520 3.038 8.692 1.00 0.00 C ATOM 919 CD1 LEU A 116 -0.044 3.306 7.263 1.00 0.00 C ATOM 920 CD2 LEU A 116 0.673 3.102 9.649 1.00 0.00 C ATOM 0 H LEU A 116 -3.007 2.119 10.139 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.112 4.140 11.200 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.433 4.017 8.450 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.144 5.093 8.951 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.973 2.048 8.745 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.693 2.555 6.978 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -0.893 3.258 6.582 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.408 4.296 7.210 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.409 2.350 9.364 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.127 4.092 9.599 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.334 2.910 10.667 1.00 0.00 H new ATOM 932 N THR A 117 -2.824 6.056 11.203 1.00 0.00 N ATOM 933 CA THR A 117 -3.862 7.021 11.550 1.00 0.00 C ATOM 934 C THR A 117 -4.586 7.499 10.296 1.00 0.00 C ATOM 935 O THR A 117 -4.161 7.216 9.177 1.00 0.00 O ATOM 936 CB THR A 117 -3.245 8.221 12.272 1.00 0.00 C ATOM 937 OG1 THR A 117 -2.659 9.095 11.316 1.00 0.00 O ATOM 938 CG2 THR A 117 -2.170 7.735 13.245 1.00 0.00 C ATOM 0 H THR A 117 -1.874 6.428 11.223 1.00 0.00 H new ATOM 0 HA THR A 117 -4.579 6.532 12.209 1.00 0.00 H new ATOM 0 HB THR A 117 -4.020 8.751 12.825 1.00 0.00 H new ATOM 0 HG1 THR A 117 -2.264 9.865 11.776 1.00 0.00 H new ATOM 0 HG21 THR A 117 -1.731 8.590 13.759 1.00 0.00 H new ATOM 0 HG22 THR A 117 -2.618 7.063 13.977 1.00 0.00 H new ATOM 0 HG23 THR A 117 -1.393 7.205 12.694 1.00 0.00 H new ATOM 946 N ASP A 118 -5.685 8.220 10.491 1.00 0.00 N ATOM 947 CA ASP A 118 -6.464 8.724 9.367 1.00 0.00 C ATOM 948 C ASP A 118 -5.643 9.703 8.537 1.00 0.00 C ATOM 949 O ASP A 118 -5.683 9.675 7.306 1.00 0.00 O ATOM 950 CB ASP A 118 -7.727 9.423 9.879 1.00 0.00 C ATOM 951 CG ASP A 118 -8.714 8.391 10.413 1.00 0.00 C ATOM 952 OD1 ASP A 118 -8.472 7.211 10.218 1.00 0.00 O ATOM 953 OD2 ASP A 118 -9.699 8.795 11.009 1.00 0.00 O ATOM 0 H ASP A 118 -6.054 8.467 11.409 1.00 0.00 H new ATOM 0 HA ASP A 118 -6.743 7.879 8.738 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -7.467 10.131 10.666 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -8.187 9.996 9.074 1.00 0.00 H new ATOM 958 N GLU A 119 -4.896 10.566 9.217 1.00 0.00 N ATOM 959 CA GLU A 119 -4.069 11.552 8.532 1.00 0.00 C ATOM 960 C GLU A 119 -2.928 10.873 7.785 1.00 0.00 C ATOM 961 O GLU A 119 -2.550 11.294 6.691 1.00 0.00 O ATOM 962 CB GLU A 119 -3.498 12.549 9.543 1.00 0.00 C ATOM 963 CG GLU A 119 -4.631 13.404 10.115 1.00 0.00 C ATOM 964 CD GLU A 119 -4.083 14.355 11.175 1.00 0.00 C ATOM 965 OE1 GLU A 119 -2.879 14.358 11.373 1.00 0.00 O ATOM 966 OE2 GLU A 119 -4.876 15.066 11.769 1.00 0.00 O ATOM 0 H GLU A 119 -4.846 10.603 10.235 1.00 0.00 H new ATOM 0 HA GLU A 119 -4.693 12.081 7.812 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -2.989 12.017 10.347 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -2.755 13.186 9.062 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -5.108 13.972 9.316 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -5.397 12.763 10.551 1.00 0.00 H new ATOM 973 N GLU A 120 -2.381 9.819 8.382 1.00 0.00 N ATOM 974 CA GLU A 120 -1.279 9.090 7.765 1.00 0.00 C ATOM 975 C GLU A 120 -1.724 8.445 6.459 1.00 0.00 C ATOM 976 O GLU A 120 -0.991 8.457 5.470 1.00 0.00 O ATOM 977 CB GLU A 120 -0.767 8.011 8.723 1.00 0.00 C ATOM 978 CG GLU A 120 0.009 8.666 9.867 1.00 0.00 C ATOM 979 CD GLU A 120 1.331 9.223 9.348 1.00 0.00 C ATOM 980 OE1 GLU A 120 1.779 8.761 8.311 1.00 0.00 O ATOM 981 OE2 GLU A 120 1.877 10.100 9.995 1.00 0.00 O ATOM 0 H GLU A 120 -2.680 9.453 9.286 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.477 9.796 7.550 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -1.604 7.436 9.120 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -0.125 7.311 8.189 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.584 9.467 10.308 1.00 0.00 H new ATOM 0 HG3 GLU A 120 0.196 7.937 10.655 1.00 0.00 H new ATOM 988 N VAL A 121 -2.928 7.884 6.462 1.00 0.00 N ATOM 989 CA VAL A 121 -3.461 7.237 5.269 1.00 0.00 C ATOM 990 C VAL A 121 -3.607 8.247 4.134 1.00 0.00 C ATOM 991 O VAL A 121 -3.223 7.976 2.998 1.00 0.00 O ATOM 992 CB VAL A 121 -4.821 6.609 5.579 1.00 0.00 C ATOM 993 CG1 VAL A 121 -5.476 6.136 4.279 1.00 0.00 C ATOM 994 CG2 VAL A 121 -4.628 5.413 6.513 1.00 0.00 C ATOM 0 H VAL A 121 -3.549 7.864 7.271 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.766 6.457 4.958 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.460 7.350 6.060 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -6.445 5.689 4.501 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.614 6.986 3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -4.837 5.396 3.798 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -5.596 4.965 6.735 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -3.988 4.674 6.031 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.162 5.747 7.440 1.00 0.00 H new ATOM 1004 N ASP A 122 -4.169 9.407 4.451 1.00 0.00 N ATOM 1005 CA ASP A 122 -4.363 10.447 3.447 1.00 0.00 C ATOM 1006 C ASP A 122 -3.026 10.849 2.829 1.00 0.00 C ATOM 1007 O ASP A 122 -2.891 10.909 1.607 1.00 0.00 O ATOM 1008 CB ASP A 122 -5.016 11.674 4.088 1.00 0.00 C ATOM 1009 CG ASP A 122 -5.390 12.688 3.013 1.00 0.00 C ATOM 1010 OD1 ASP A 122 -5.010 12.479 1.872 1.00 0.00 O ATOM 1011 OD2 ASP A 122 -6.055 13.656 3.343 1.00 0.00 O ATOM 0 H ASP A 122 -4.496 9.651 5.386 1.00 0.00 H new ATOM 0 HA ASP A 122 -5.012 10.055 2.664 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -5.906 11.375 4.642 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -4.331 12.128 4.805 1.00 0.00 H new ATOM 1016 N GLU A 123 -2.043 11.118 3.679 1.00 0.00 N ATOM 1017 CA GLU A 123 -0.720 11.506 3.203 1.00 0.00 C ATOM 1018 C GLU A 123 -0.022 10.331 2.531 1.00 0.00 C ATOM 1019 O GLU A 123 0.667 10.497 1.525 1.00 0.00 O ATOM 1020 CB GLU A 123 0.130 12.006 4.374 1.00 0.00 C ATOM 1021 CG GLU A 123 -0.420 13.343 4.872 1.00 0.00 C ATOM 1022 CD GLU A 123 0.333 13.784 6.124 1.00 0.00 C ATOM 1023 OE1 GLU A 123 1.241 13.075 6.524 1.00 0.00 O ATOM 1024 OE2 GLU A 123 -0.010 14.823 6.663 1.00 0.00 O ATOM 0 H GLU A 123 -2.135 11.075 4.694 1.00 0.00 H new ATOM 0 HA GLU A 123 -0.840 12.306 2.472 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.121 11.274 5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.167 12.122 4.060 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -0.321 14.099 4.093 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -1.483 13.249 5.092 1.00 0.00 H new ATOM 1031 N MET A 124 -0.202 9.140 3.096 1.00 0.00 N ATOM 1032 CA MET A 124 0.423 7.945 2.545 1.00 0.00 C ATOM 1033 C MET A 124 -0.063 7.685 1.125 1.00 0.00 C ATOM 1034 O MET A 124 0.735 7.429 0.223 1.00 0.00 O ATOM 1035 CB MET A 124 0.102 6.735 3.427 1.00 0.00 C ATOM 1036 CG MET A 124 0.792 5.492 2.863 1.00 0.00 C ATOM 1037 SD MET A 124 0.547 4.099 3.994 1.00 0.00 S ATOM 1038 CE MET A 124 -1.041 3.543 3.329 1.00 0.00 C ATOM 0 H MET A 124 -0.770 8.979 3.927 1.00 0.00 H new ATOM 0 HA MET A 124 1.501 8.103 2.520 1.00 0.00 H new ATOM 0 HB2 MET A 124 0.437 6.917 4.448 1.00 0.00 H new ATOM 0 HB3 MET A 124 -0.976 6.578 3.468 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.386 5.252 1.880 1.00 0.00 H new ATOM 0 HG3 MET A 124 1.857 5.683 2.730 1.00 0.00 H new ATOM 0 HE1 MET A 124 -1.643 3.118 4.132 1.00 0.00 H new ATOM 0 HE2 MET A 124 -1.568 4.390 2.890 1.00 0.00 H new ATOM 0 HE3 MET A 124 -0.870 2.786 2.564 1.00 0.00 H new ATOM 1048 N ILE A 125 -1.375 7.752 0.934 1.00 0.00 N ATOM 1049 CA ILE A 125 -1.952 7.517 -0.381 1.00 0.00 C ATOM 1050 C ILE A 125 -1.483 8.575 -1.374 1.00 0.00 C ATOM 1051 O ILE A 125 -1.103 8.257 -2.498 1.00 0.00 O ATOM 1052 CB ILE A 125 -3.483 7.553 -0.291 1.00 0.00 C ATOM 1053 CG1 ILE A 125 -3.972 6.357 0.529 1.00 0.00 C ATOM 1054 CG2 ILE A 125 -4.084 7.482 -1.698 1.00 0.00 C ATOM 1055 CD1 ILE A 125 -5.462 6.519 0.836 1.00 0.00 C ATOM 0 H ILE A 125 -2.053 7.965 1.666 1.00 0.00 H new ATOM 0 HA ILE A 125 -1.624 6.537 -0.728 1.00 0.00 H new ATOM 0 HB ILE A 125 -3.795 8.480 0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.803 5.432 -0.022 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.405 6.284 1.457 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -5.172 7.508 -1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.737 8.332 -2.285 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -3.772 6.556 -2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -5.808 5.666 1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -5.619 7.436 1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -6.022 6.571 -0.098 1.00 0.00 H new ATOM 1067 N ARG A 126 -1.507 9.833 -0.947 1.00 0.00 N ATOM 1068 CA ARG A 126 -1.089 10.929 -1.813 1.00 0.00 C ATOM 1069 C ARG A 126 0.368 10.767 -2.228 1.00 0.00 C ATOM 1070 O ARG A 126 0.714 10.948 -3.395 1.00 0.00 O ATOM 1071 CB ARG A 126 -1.270 12.265 -1.087 1.00 0.00 C ATOM 1072 CG ARG A 126 -0.913 13.414 -2.033 1.00 0.00 C ATOM 1073 CD ARG A 126 -1.220 14.750 -1.352 1.00 0.00 C ATOM 1074 NE ARG A 126 -2.659 14.900 -1.165 1.00 0.00 N ATOM 1075 CZ ARG A 126 -3.163 15.962 -0.545 1.00 0.00 C ATOM 1076 NH1 ARG A 126 -2.932 17.160 -1.008 1.00 0.00 N ATOM 1077 NH2 ARG A 126 -3.890 15.807 0.529 1.00 0.00 N ATOM 0 H ARG A 126 -1.809 10.117 -0.015 1.00 0.00 H new ATOM 0 HA ARG A 126 -1.710 10.913 -2.709 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -2.300 12.368 -0.745 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -0.635 12.299 -0.202 1.00 0.00 H new ATOM 0 HG2 ARG A 126 0.142 13.364 -2.301 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -1.481 13.327 -2.959 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -0.713 14.800 -0.388 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -0.837 15.572 -1.957 1.00 0.00 H new ATOM 0 HE ARG A 126 -3.288 14.178 -1.516 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -2.364 17.282 -1.847 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -3.319 17.974 -0.531 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -4.071 14.871 0.892 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -4.277 16.622 1.005 1.00 0.00 H new ATOM 1091 N GLU A 127 1.216 10.422 -1.266 1.00 0.00 N ATOM 1092 CA GLU A 127 2.633 10.233 -1.542 1.00 0.00 C ATOM 1093 C GLU A 127 2.861 8.961 -2.349 1.00 0.00 C ATOM 1094 O GLU A 127 3.752 8.899 -3.195 1.00 0.00 O ATOM 1095 CB GLU A 127 3.418 10.158 -0.230 1.00 0.00 C ATOM 1096 CG GLU A 127 3.401 11.525 0.455 1.00 0.00 C ATOM 1097 CD GLU A 127 4.127 11.446 1.795 1.00 0.00 C ATOM 1098 OE1 GLU A 127 4.572 10.364 2.141 1.00 0.00 O ATOM 1099 OE2 GLU A 127 4.228 12.468 2.452 1.00 0.00 O ATOM 0 H GLU A 127 0.948 10.268 -0.294 1.00 0.00 H new ATOM 0 HA GLU A 127 2.984 11.084 -2.126 1.00 0.00 H new ATOM 0 HB2 GLU A 127 2.980 9.406 0.426 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.445 9.851 -0.426 1.00 0.00 H new ATOM 0 HG2 GLU A 127 3.879 12.267 -0.184 1.00 0.00 H new ATOM 0 HG3 GLU A 127 2.372 11.852 0.608 1.00 0.00 H new ATOM 1106 N ALA A 128 2.053 7.942 -2.075 1.00 0.00 N ATOM 1107 CA ALA A 128 2.178 6.669 -2.776 1.00 0.00 C ATOM 1108 C ALA A 128 1.561 6.752 -4.166 1.00 0.00 C ATOM 1109 O ALA A 128 2.002 6.076 -5.095 1.00 0.00 O ATOM 1110 CB ALA A 128 1.490 5.562 -1.975 1.00 0.00 C ATOM 0 H ALA A 128 1.309 7.972 -1.377 1.00 0.00 H new ATOM 0 HA ALA A 128 3.239 6.439 -2.879 1.00 0.00 H new ATOM 0 HB1 ALA A 128 1.588 4.615 -2.505 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.957 5.479 -0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 128 0.434 5.803 -1.854 1.00 0.00 H new ATOM 1116 N ASP A 129 0.539 7.592 -4.303 1.00 0.00 N ATOM 1117 CA ASP A 129 -0.136 7.755 -5.587 1.00 0.00 C ATOM 1118 C ASP A 129 0.753 8.523 -6.561 1.00 0.00 C ATOM 1119 O ASP A 129 1.021 9.708 -6.372 1.00 0.00 O ATOM 1120 CB ASP A 129 -1.452 8.509 -5.393 1.00 0.00 C ATOM 1121 CG ASP A 129 -2.295 8.420 -6.657 1.00 0.00 C ATOM 1122 OD1 ASP A 129 -2.708 7.323 -6.995 1.00 0.00 O ATOM 1123 OD2 ASP A 129 -2.515 9.447 -7.271 1.00 0.00 O ATOM 0 H ASP A 129 0.163 8.166 -3.548 1.00 0.00 H new ATOM 0 HA ASP A 129 -0.342 6.767 -5.998 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -2.000 8.089 -4.550 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -1.250 9.553 -5.153 1.00 0.00 H new ATOM 1128 N ILE A 130 1.208 7.835 -7.604 1.00 0.00 N ATOM 1129 CA ILE A 130 2.067 8.458 -8.602 1.00 0.00 C ATOM 1130 C ILE A 130 1.298 9.492 -9.411 1.00 0.00 C ATOM 1131 O ILE A 130 1.798 10.585 -9.680 1.00 0.00 O ATOM 1132 CB ILE A 130 2.641 7.393 -9.539 1.00 0.00 C ATOM 1133 CG1 ILE A 130 3.375 6.330 -8.716 1.00 0.00 C ATOM 1134 CG2 ILE A 130 3.617 8.043 -10.519 1.00 0.00 C ATOM 1135 CD1 ILE A 130 3.748 5.152 -9.619 1.00 0.00 C ATOM 0 H ILE A 130 0.997 6.852 -7.778 1.00 0.00 H new ATOM 0 HA ILE A 130 2.882 8.961 -8.082 1.00 0.00 H new ATOM 0 HB ILE A 130 1.828 6.926 -10.095 1.00 0.00 H new ATOM 0 HG12 ILE A 130 4.272 6.757 -8.268 1.00 0.00 H new ATOM 0 HG13 ILE A 130 2.742 5.988 -7.897 1.00 0.00 H new ATOM 0 HG21 ILE A 130 4.024 7.282 -11.185 1.00 0.00 H new ATOM 0 HG22 ILE A 130 3.094 8.798 -11.107 1.00 0.00 H new ATOM 0 HG23 ILE A 130 4.430 8.513 -9.965 1.00 0.00 H new ATOM 0 HD11 ILE A 130 4.270 4.396 -9.033 1.00 0.00 H new ATOM 0 HD12 ILE A 130 2.843 4.720 -10.045 1.00 0.00 H new ATOM 0 HD13 ILE A 130 4.397 5.501 -10.422 1.00 0.00 H new ATOM 1147 N ASP A 131 0.078 9.139 -9.800 1.00 0.00 N ATOM 1148 CA ASP A 131 -0.755 10.041 -10.588 1.00 0.00 C ATOM 1149 C ASP A 131 -1.432 11.068 -9.694 1.00 0.00 C ATOM 1150 O ASP A 131 -2.219 11.893 -10.162 1.00 0.00 O ATOM 1151 CB ASP A 131 -1.813 9.240 -11.351 1.00 0.00 C ATOM 1152 CG ASP A 131 -2.522 8.281 -10.402 1.00 0.00 C ATOM 1153 OD1 ASP A 131 -2.119 8.210 -9.254 1.00 0.00 O ATOM 1154 OD2 ASP A 131 -3.457 7.629 -10.839 1.00 0.00 O ATOM 0 H ASP A 131 -0.354 8.241 -9.585 1.00 0.00 H new ATOM 0 HA ASP A 131 -0.117 10.567 -11.298 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -2.536 9.917 -11.805 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -1.345 8.683 -12.162 1.00 0.00 H new ATOM 1159 N GLY A 132 -1.125 11.015 -8.403 1.00 0.00 N ATOM 1160 CA GLY A 132 -1.706 11.956 -7.451 1.00 0.00 C ATOM 1161 C GLY A 132 -3.188 12.168 -7.732 1.00 0.00 C ATOM 1162 O GLY A 132 -3.726 13.250 -7.494 1.00 0.00 O ATOM 0 H GLY A 132 -0.483 10.337 -7.993 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -1.574 11.581 -6.436 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -1.181 12.909 -7.509 1.00 0.00 H new ATOM 1166 N ASP A 133 -3.845 11.134 -8.245 1.00 0.00 N ATOM 1167 CA ASP A 133 -5.266 11.221 -8.558 1.00 0.00 C ATOM 1168 C ASP A 133 -6.105 10.946 -7.312 1.00 0.00 C ATOM 1169 O ASP A 133 -7.334 10.985 -7.357 1.00 0.00 O ATOM 1170 CB ASP A 133 -5.627 10.208 -9.647 1.00 0.00 C ATOM 1171 CG ASP A 133 -5.235 8.803 -9.205 1.00 0.00 C ATOM 1172 OD1 ASP A 133 -4.542 8.687 -8.209 1.00 0.00 O ATOM 1173 OD2 ASP A 133 -5.635 7.862 -9.871 1.00 0.00 O ATOM 0 H ASP A 133 -3.419 10.231 -8.452 1.00 0.00 H new ATOM 0 HA ASP A 133 -5.478 12.229 -8.915 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -6.697 10.248 -9.852 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -5.115 10.462 -10.575 1.00 0.00 H new ATOM 1178 N GLY A 134 -5.430 10.666 -6.200 1.00 0.00 N ATOM 1179 CA GLY A 134 -6.121 10.392 -4.947 1.00 0.00 C ATOM 1180 C GLY A 134 -6.704 8.988 -4.944 1.00 0.00 C ATOM 1181 O GLY A 134 -7.199 8.509 -3.922 1.00 0.00 O ATOM 0 H GLY A 134 -4.413 10.623 -6.142 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -5.428 10.504 -4.113 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -6.918 11.121 -4.800 1.00 0.00 H new ATOM 1185 N GLN A 135 -6.643 8.322 -6.096 1.00 0.00 N ATOM 1186 CA GLN A 135 -7.174 6.967 -6.214 1.00 0.00 C ATOM 1187 C GLN A 135 -6.175 6.065 -6.926 1.00 0.00 C ATOM 1188 O GLN A 135 -5.439 6.506 -7.809 1.00 0.00 O ATOM 1189 CB GLN A 135 -8.491 6.991 -6.993 1.00 0.00 C ATOM 1190 CG GLN A 135 -9.151 5.612 -6.922 1.00 0.00 C ATOM 1191 CD GLN A 135 -9.614 5.329 -5.497 1.00 0.00 C ATOM 1192 OE1 GLN A 135 -9.810 6.256 -4.711 1.00 0.00 O ATOM 1193 NE2 GLN A 135 -9.800 4.095 -5.114 1.00 0.00 N ATOM 0 H GLN A 135 -6.235 8.695 -6.953 1.00 0.00 H new ATOM 0 HA GLN A 135 -7.352 6.574 -5.213 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -9.158 7.747 -6.578 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -8.306 7.265 -8.032 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -10.000 5.570 -7.604 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -8.446 4.845 -7.243 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -9.637 3.328 -5.767 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -10.108 3.897 -4.162 1.00 0.00 H new ATOM 1202 N VAL A 136 -6.154 4.791 -6.539 1.00 0.00 N ATOM 1203 CA VAL A 136 -5.236 3.834 -7.146 1.00 0.00 C ATOM 1204 C VAL A 136 -5.940 3.032 -8.231 1.00 0.00 C ATOM 1205 O VAL A 136 -6.968 2.399 -7.987 1.00 0.00 O ATOM 1206 CB VAL A 136 -4.696 2.883 -6.075 1.00 0.00 C ATOM 1207 CG1 VAL A 136 -3.542 2.062 -6.655 1.00 0.00 C ATOM 1208 CG2 VAL A 136 -4.190 3.695 -4.880 1.00 0.00 C ATOM 0 H VAL A 136 -6.757 4.402 -5.814 1.00 0.00 H new ATOM 0 HA VAL A 136 -4.410 4.384 -7.596 1.00 0.00 H new ATOM 0 HB VAL A 136 -5.493 2.213 -5.751 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -3.158 1.385 -5.892 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.899 1.483 -7.507 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -2.746 2.732 -6.980 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -3.805 3.018 -4.117 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -3.394 4.365 -5.206 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -5.010 4.281 -4.465 1.00 0.00 H new ATOM 1218 N ASN A 137 -5.377 3.055 -9.436 1.00 0.00 N ATOM 1219 CA ASN A 137 -5.958 2.324 -10.557 1.00 0.00 C ATOM 1220 C ASN A 137 -5.366 0.919 -10.640 1.00 0.00 C ATOM 1221 O ASN A 137 -4.336 0.631 -10.030 1.00 0.00 O ATOM 1222 CB ASN A 137 -5.690 3.068 -11.865 1.00 0.00 C ATOM 1223 CG ASN A 137 -6.428 4.403 -11.862 1.00 0.00 C ATOM 1224 OD1 ASN A 137 -6.113 5.289 -12.658 1.00 0.00 O ATOM 1225 ND2 ASN A 137 -7.395 4.604 -11.009 1.00 0.00 N ATOM 0 H ASN A 137 -4.525 3.568 -9.660 1.00 0.00 H new ATOM 0 HA ASN A 137 -7.034 2.248 -10.398 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.620 3.234 -11.986 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.017 2.464 -12.711 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -7.891 5.495 -11.001 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -7.655 3.870 -10.350 1.00 0.00 H new ATOM 1232 N TYR A 138 -6.027 0.048 -11.399 1.00 0.00 N ATOM 1233 CA TYR A 138 -5.561 -1.329 -11.546 1.00 0.00 C ATOM 1234 C TYR A 138 -4.149 -1.352 -12.125 1.00 0.00 C ATOM 1235 O TYR A 138 -3.263 -2.019 -11.591 1.00 0.00 O ATOM 1236 CB TYR A 138 -6.507 -2.101 -12.467 1.00 0.00 C ATOM 1237 CG TYR A 138 -5.979 -3.502 -12.668 1.00 0.00 C ATOM 1238 CD1 TYR A 138 -6.167 -4.468 -11.671 1.00 0.00 C ATOM 1239 CD2 TYR A 138 -5.304 -3.834 -13.847 1.00 0.00 C ATOM 1240 CE1 TYR A 138 -5.679 -5.766 -11.857 1.00 0.00 C ATOM 1241 CE2 TYR A 138 -4.816 -5.133 -14.032 1.00 0.00 C ATOM 1242 CZ TYR A 138 -5.003 -6.099 -13.037 1.00 0.00 C ATOM 1243 OH TYR A 138 -4.522 -7.379 -13.220 1.00 0.00 O ATOM 0 H TYR A 138 -6.878 0.268 -11.917 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.547 -1.800 -10.563 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -7.506 -2.136 -12.033 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -6.594 -1.592 -13.427 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -6.688 -4.211 -10.760 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -5.159 -3.088 -14.615 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -5.824 -6.512 -11.090 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -4.295 -5.390 -14.943 1.00 0.00 H new ATOM 0 HH TYR A 138 -4.080 -7.441 -14.092 1.00 0.00 H new ATOM 1253 N GLU A 139 -3.947 -0.620 -13.215 1.00 0.00 N ATOM 1254 CA GLU A 139 -2.635 -0.557 -13.848 1.00 0.00 C ATOM 1255 C GLU A 139 -1.598 -0.013 -12.870 1.00 0.00 C ATOM 1256 O GLU A 139 -0.451 -0.459 -12.856 1.00 0.00 O ATOM 1257 CB GLU A 139 -2.694 0.343 -15.083 1.00 0.00 C ATOM 1258 CG GLU A 139 -3.635 -0.273 -16.122 1.00 0.00 C ATOM 1259 CD GLU A 139 -5.081 0.102 -15.805 1.00 0.00 C ATOM 1260 OE1 GLU A 139 -5.300 0.725 -14.779 1.00 0.00 O ATOM 1261 OE2 GLU A 139 -5.946 -0.239 -16.592 1.00 0.00 O ATOM 0 H GLU A 139 -4.669 -0.066 -13.676 1.00 0.00 H new ATOM 0 HA GLU A 139 -2.346 -1.565 -14.147 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -3.044 1.337 -14.805 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -1.697 0.463 -15.506 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -3.370 0.079 -17.119 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -3.525 -1.357 -16.127 1.00 0.00 H new ATOM 1268 N GLU A 140 -2.008 0.953 -12.052 1.00 0.00 N ATOM 1269 CA GLU A 140 -1.106 1.543 -11.075 1.00 0.00 C ATOM 1270 C GLU A 140 -0.886 0.589 -9.902 1.00 0.00 C ATOM 1271 O GLU A 140 0.215 0.505 -9.358 1.00 0.00 O ATOM 1272 CB GLU A 140 -1.690 2.861 -10.557 1.00 0.00 C ATOM 1273 CG GLU A 140 -0.563 3.746 -10.021 1.00 0.00 C ATOM 1274 CD GLU A 140 -1.141 4.887 -9.194 1.00 0.00 C ATOM 1275 OE1 GLU A 140 -1.878 4.603 -8.264 1.00 0.00 O ATOM 1276 OE2 GLU A 140 -0.840 6.027 -9.502 1.00 0.00 O ATOM 0 H GLU A 140 -2.952 1.339 -12.048 1.00 0.00 H new ATOM 0 HA GLU A 140 -0.148 1.732 -11.560 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -2.220 3.375 -11.358 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -2.417 2.664 -9.769 1.00 0.00 H new ATOM 0 HG2 GLU A 140 0.117 3.152 -9.410 1.00 0.00 H new ATOM 0 HG3 GLU A 140 0.021 4.147 -10.850 1.00 0.00 H new ATOM 1283 N PHE A 141 -1.942 -0.122 -9.519 1.00 0.00 N ATOM 1284 CA PHE A 141 -1.851 -1.062 -8.406 1.00 0.00 C ATOM 1285 C PHE A 141 -0.817 -2.143 -8.703 1.00 0.00 C ATOM 1286 O PHE A 141 0.059 -2.416 -7.883 1.00 0.00 O ATOM 1287 CB PHE A 141 -3.217 -1.704 -8.155 1.00 0.00 C ATOM 1288 CG PHE A 141 -3.066 -2.853 -7.184 1.00 0.00 C ATOM 1289 CD1 PHE A 141 -2.820 -2.598 -5.832 1.00 0.00 C ATOM 1290 CD2 PHE A 141 -3.164 -4.173 -7.644 1.00 0.00 C ATOM 1291 CE1 PHE A 141 -2.676 -3.663 -4.935 1.00 0.00 C ATOM 1292 CE2 PHE A 141 -3.020 -5.237 -6.748 1.00 0.00 C ATOM 1293 CZ PHE A 141 -2.778 -4.982 -5.393 1.00 0.00 C ATOM 0 H PHE A 141 -2.862 -0.067 -9.957 1.00 0.00 H new ATOM 0 HA PHE A 141 -1.540 -0.518 -7.515 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.910 -0.964 -7.754 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -3.640 -2.061 -9.094 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.741 -1.580 -5.480 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -3.351 -4.368 -8.690 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.486 -3.467 -3.890 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -3.095 -6.255 -7.101 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.670 -5.804 -4.700 1.00 0.00 H new ATOM 1303 N VAL A 142 -0.934 -2.759 -9.874 1.00 0.00 N ATOM 1304 CA VAL A 142 -0.013 -3.822 -10.256 1.00 0.00 C ATOM 1305 C VAL A 142 1.421 -3.304 -10.246 1.00 0.00 C ATOM 1306 O VAL A 142 2.320 -3.955 -9.710 1.00 0.00 O ATOM 1307 CB VAL A 142 -0.362 -4.330 -11.658 1.00 0.00 C ATOM 1308 CG1 VAL A 142 0.681 -5.358 -12.104 1.00 0.00 C ATOM 1309 CG2 VAL A 142 -1.744 -4.984 -11.635 1.00 0.00 C ATOM 0 H VAL A 142 -1.649 -2.544 -10.568 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.102 -4.639 -9.540 1.00 0.00 H new ATOM 0 HB VAL A 142 -0.368 -3.492 -12.356 1.00 0.00 H new ATOM 0 HG11 VAL A 142 0.432 -5.719 -13.102 1.00 0.00 H new ATOM 0 HG12 VAL A 142 1.666 -4.892 -12.122 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.688 -6.195 -11.406 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.992 -5.345 -12.633 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -1.739 -5.821 -10.937 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -2.488 -4.252 -11.319 1.00 0.00 H new ATOM 1319 N GLN A 143 1.628 -2.133 -10.836 1.00 0.00 N ATOM 1320 CA GLN A 143 2.960 -1.537 -10.884 1.00 0.00 C ATOM 1321 C GLN A 143 3.438 -1.179 -9.480 1.00 0.00 C ATOM 1322 O GLN A 143 4.586 -1.439 -9.120 1.00 0.00 O ATOM 1323 CB GLN A 143 2.938 -0.283 -11.756 1.00 0.00 C ATOM 1324 CG GLN A 143 2.672 -0.673 -13.210 1.00 0.00 C ATOM 1325 CD GLN A 143 3.885 -1.393 -13.787 1.00 0.00 C ATOM 1326 OE1 GLN A 143 3.854 -2.608 -13.981 1.00 0.00 O ATOM 1327 NE2 GLN A 143 4.960 -0.711 -14.078 1.00 0.00 N ATOM 0 H GLN A 143 0.898 -1.580 -11.285 1.00 0.00 H new ATOM 0 HA GLN A 143 3.649 -2.264 -11.313 1.00 0.00 H new ATOM 0 HB2 GLN A 143 2.166 0.402 -11.406 1.00 0.00 H new ATOM 0 HB3 GLN A 143 3.890 0.243 -11.678 1.00 0.00 H new ATOM 0 HG2 GLN A 143 1.795 -1.318 -13.268 1.00 0.00 H new ATOM 0 HG3 GLN A 143 2.453 0.217 -13.800 1.00 0.00 H new ATOM 0 HE21 GLN A 143 4.984 0.296 -13.917 1.00 0.00 H new ATOM 0 HE22 GLN A 143 5.775 -1.185 -14.467 1.00 0.00 H new ATOM 1336 N MET A 144 2.552 -0.583 -8.692 1.00 0.00 N ATOM 1337 CA MET A 144 2.899 -0.185 -7.332 1.00 0.00 C ATOM 1338 C MET A 144 3.448 -1.374 -6.558 1.00 0.00 C ATOM 1339 O MET A 144 4.305 -1.217 -5.686 1.00 0.00 O ATOM 1340 CB MET A 144 1.658 0.358 -6.617 1.00 0.00 C ATOM 1341 CG MET A 144 2.055 0.885 -5.237 1.00 0.00 C ATOM 1342 SD MET A 144 0.606 1.611 -4.429 1.00 0.00 S ATOM 1343 CE MET A 144 0.748 3.264 -5.151 1.00 0.00 C ATOM 0 H MET A 144 1.594 -0.365 -8.968 1.00 0.00 H new ATOM 0 HA MET A 144 3.662 0.592 -7.380 1.00 0.00 H new ATOM 0 HB2 MET A 144 1.205 1.155 -7.206 1.00 0.00 H new ATOM 0 HB3 MET A 144 0.910 -0.428 -6.517 1.00 0.00 H new ATOM 0 HG2 MET A 144 2.457 0.075 -4.628 1.00 0.00 H new ATOM 0 HG3 MET A 144 2.843 1.632 -5.334 1.00 0.00 H new ATOM 0 HE1 MET A 144 0.189 3.976 -4.543 1.00 0.00 H new ATOM 0 HE2 MET A 144 1.797 3.558 -5.182 1.00 0.00 H new ATOM 0 HE3 MET A 144 0.343 3.255 -6.163 1.00 0.00 H new ATOM 1353 N MET A 145 2.958 -2.566 -6.879 1.00 0.00 N ATOM 1354 CA MET A 145 3.416 -3.780 -6.214 1.00 0.00 C ATOM 1355 C MET A 145 4.561 -4.424 -6.984 1.00 0.00 C ATOM 1356 O MET A 145 5.451 -5.043 -6.397 1.00 0.00 O ATOM 1357 CB MET A 145 2.261 -4.773 -6.081 1.00 0.00 C ATOM 1358 CG MET A 145 1.257 -4.257 -5.051 1.00 0.00 C ATOM 1359 SD MET A 145 0.024 -5.538 -4.719 1.00 0.00 S ATOM 1360 CE MET A 145 -0.394 -5.019 -3.035 1.00 0.00 C ATOM 0 H MET A 145 2.246 -2.718 -7.593 1.00 0.00 H new ATOM 0 HA MET A 145 3.776 -3.508 -5.222 1.00 0.00 H new ATOM 0 HB2 MET A 145 1.771 -4.908 -7.045 1.00 0.00 H new ATOM 0 HB3 MET A 145 2.640 -5.749 -5.777 1.00 0.00 H new ATOM 0 HG2 MET A 145 1.772 -3.985 -4.130 1.00 0.00 H new ATOM 0 HG3 MET A 145 0.770 -3.355 -5.422 1.00 0.00 H new ATOM 0 HE1 MET A 145 -1.312 -5.514 -2.719 1.00 0.00 H new ATOM 0 HE2 MET A 145 0.416 -5.291 -2.359 1.00 0.00 H new ATOM 0 HE3 MET A 145 -0.538 -3.939 -3.012 1.00 0.00 H new ATOM 1370 N THR A 146 4.534 -4.279 -8.304 1.00 0.00 N ATOM 1371 CA THR A 146 5.572 -4.854 -9.149 1.00 0.00 C ATOM 1372 C THR A 146 6.667 -3.831 -9.428 1.00 0.00 C ATOM 1373 O THR A 146 7.561 -4.066 -10.242 1.00 0.00 O ATOM 1374 CB THR A 146 4.967 -5.333 -10.472 1.00 0.00 C ATOM 1375 OG1 THR A 146 3.969 -6.309 -10.209 1.00 0.00 O ATOM 1376 CG2 THR A 146 6.064 -5.944 -11.348 1.00 0.00 C ATOM 0 H THR A 146 3.808 -3.771 -8.809 1.00 0.00 H new ATOM 0 HA THR A 146 6.010 -5.702 -8.623 1.00 0.00 H new ATOM 0 HB THR A 146 4.520 -4.487 -10.994 1.00 0.00 H new ATOM 0 HG1 THR A 146 3.127 -5.863 -9.981 1.00 0.00 H new ATOM 0 HG21 THR A 146 5.631 -6.284 -12.289 1.00 0.00 H new ATOM 0 HG22 THR A 146 6.828 -5.194 -11.550 1.00 0.00 H new ATOM 0 HG23 THR A 146 6.515 -6.790 -10.829 1.00 0.00 H new