USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 404 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 65 TYR OH : rot 169:sc= 0.227 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -66:sc= -0.184 USER MOD Single : A 78 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0118) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -1.13 K(o=-1.1,f=-4.6!) USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -66:sc= 1.26 USER MOD Single : A 91 ASN : amide:sc= -2.74! C(o=-2.7!,f=-6.4!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS : no HE2:sc= -2.27 K(o=-2.3,f=-4.8!) USER MOD Single : A 95 TYR OH : rot 137:sc= 0.233 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 128:sc= -0.131 (180deg=-0.96) USER MOD Single : A 102 MET CE :methyl -167:sc= -1 (180deg=-1.51) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0.26 K(o=0.26,f=-2.5!) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 385 N LEU A 63 16.600 27.543 20.772 1.00 15.00 N ATOM 386 CA LEU A 63 16.124 26.680 21.849 1.00 15.00 C ATOM 387 C LEU A 63 14.601 26.589 21.817 1.00 15.00 C ATOM 388 O LEU A 63 13.912 27.608 21.847 1.00 15.00 O ATOM 389 CB LEU A 63 16.576 27.236 23.201 1.00 15.00 C ATOM 390 CG LEU A 63 16.204 26.252 24.312 1.00 15.00 C ATOM 391 CD1 LEU A 63 17.101 25.016 24.222 1.00 15.00 C ATOM 392 CD2 LEU A 63 16.402 26.924 25.672 1.00 15.00 C ATOM 0 HA LEU A 63 16.543 25.684 21.710 1.00 15.00 H new ATOM 0 HB2 LEU A 63 17.653 27.403 23.195 1.00 15.00 H new ATOM 0 HB3 LEU A 63 16.105 28.202 23.384 1.00 15.00 H new ATOM 0 HG LEU A 63 15.162 25.954 24.199 1.00 15.00 H new ATOM 0 HD11 LEU A 63 16.836 24.315 25.014 1.00 15.00 H new ATOM 0 HD12 LEU A 63 16.964 24.537 23.253 1.00 15.00 H new ATOM 0 HD13 LEU A 63 18.143 25.314 24.336 1.00 15.00 H new ATOM 0 HD21 LEU A 63 16.138 26.225 26.465 1.00 15.00 H new ATOM 0 HD22 LEU A 63 17.445 27.221 25.783 1.00 15.00 H new ATOM 0 HD23 LEU A 63 15.765 27.806 25.738 1.00 15.00 H new ATOM 404 N PHE A 64 14.084 25.369 21.717 1.00 15.00 N ATOM 405 CA PHE A 64 12.641 25.160 21.702 1.00 15.00 C ATOM 406 C PHE A 64 12.122 24.806 23.094 1.00 15.00 C ATOM 407 O PHE A 64 12.669 23.928 23.761 1.00 15.00 O ATOM 408 CB PHE A 64 12.288 24.036 20.726 1.00 15.00 C ATOM 409 CG PHE A 64 12.619 24.363 19.289 1.00 15.00 C ATOM 410 CD1 PHE A 64 11.713 25.094 18.511 1.00 15.00 C ATOM 411 CD2 PHE A 64 13.831 23.935 18.734 1.00 15.00 C ATOM 412 CE1 PHE A 64 12.018 25.397 17.179 1.00 15.00 C ATOM 413 CE2 PHE A 64 14.137 24.238 17.402 1.00 15.00 C ATOM 414 CZ PHE A 64 13.231 24.969 16.625 1.00 15.00 C ATOM 0 H PHE A 64 14.638 24.516 21.646 1.00 15.00 H new ATOM 0 HA PHE A 64 12.168 26.089 21.382 1.00 15.00 H new ATOM 0 HB2 PHE A 64 12.822 23.131 21.017 1.00 15.00 H new ATOM 0 HB3 PHE A 64 11.223 23.817 20.805 1.00 15.00 H new ATOM 0 HD1 PHE A 64 10.778 25.424 18.939 1.00 15.00 H new ATOM 0 HD2 PHE A 64 14.530 23.371 19.334 1.00 15.00 H new ATOM 0 HE1 PHE A 64 11.319 25.960 16.579 1.00 15.00 H new ATOM 0 HE2 PHE A 64 15.072 23.908 16.974 1.00 15.00 H new ATOM 0 HZ PHE A 64 13.467 25.203 15.598 1.00 15.00 H new ATOM 424 N TYR A 65 11.067 25.490 23.528 1.00 15.00 N ATOM 425 CA TYR A 65 10.406 25.153 24.788 1.00 15.00 C ATOM 426 C TYR A 65 8.935 24.847 24.526 1.00 15.00 C ATOM 427 O TYR A 65 8.300 25.498 23.699 1.00 15.00 O ATOM 428 CB TYR A 65 10.519 26.316 25.775 1.00 15.00 C ATOM 429 CG TYR A 65 10.076 25.954 27.174 1.00 15.00 C ATOM 430 CD1 TYR A 65 10.988 25.372 28.064 1.00 15.00 C ATOM 431 CD2 TYR A 65 8.758 26.196 27.581 1.00 15.00 C ATOM 432 CE1 TYR A 65 10.582 25.031 29.358 1.00 15.00 C ATOM 433 CE2 TYR A 65 8.352 25.853 28.878 1.00 15.00 C ATOM 434 CZ TYR A 65 9.265 25.272 29.767 1.00 15.00 C ATOM 435 OH TYR A 65 8.869 24.933 31.045 1.00 15.00 O ATOM 0 H TYR A 65 10.652 26.277 23.030 1.00 15.00 H new ATOM 0 HA TYR A 65 10.892 24.277 25.218 1.00 15.00 H new ATOM 0 HB2 TYR A 65 11.553 26.659 25.806 1.00 15.00 H new ATOM 0 HB3 TYR A 65 9.917 27.150 25.414 1.00 15.00 H new ATOM 0 HD1 TYR A 65 12.005 25.187 27.751 1.00 15.00 H new ATOM 0 HD2 TYR A 65 8.055 26.647 26.896 1.00 15.00 H new ATOM 0 HE1 TYR A 65 11.286 24.581 30.043 1.00 15.00 H new ATOM 0 HE2 TYR A 65 7.335 26.037 29.192 1.00 15.00 H new ATOM 0 HH TYR A 65 7.986 25.318 31.227 1.00 15.00 H new ATOM 445 N THR A 66 8.392 23.857 25.230 1.00 15.00 N ATOM 446 CA THR A 66 7.010 23.435 25.004 1.00 15.00 C ATOM 447 C THR A 66 6.108 23.868 26.157 1.00 15.00 C ATOM 448 O THR A 66 6.508 23.839 27.320 1.00 15.00 O ATOM 449 CB THR A 66 6.952 21.913 24.855 1.00 15.00 C ATOM 450 OG1 THR A 66 7.871 21.502 23.853 1.00 15.00 O ATOM 451 CG2 THR A 66 5.538 21.488 24.455 1.00 15.00 C ATOM 0 H THR A 66 8.882 23.335 25.956 1.00 15.00 H new ATOM 0 HA THR A 66 6.654 23.910 24.090 1.00 15.00 H new ATOM 0 HB THR A 66 7.214 21.446 25.805 1.00 15.00 H new ATOM 0 HG1 THR A 66 7.836 20.527 23.757 1.00 15.00 H new ATOM 0 HG21 THR A 66 5.500 20.404 24.350 1.00 15.00 H new ATOM 0 HG22 THR A 66 4.832 21.803 25.224 1.00 15.00 H new ATOM 0 HG23 THR A 66 5.273 21.954 23.506 1.00 15.00 H new ATOM 459 N LEU A 67 4.886 24.268 25.816 1.00 15.00 N ATOM 460 CA LEU A 67 3.909 24.681 26.815 1.00 15.00 C ATOM 461 C LEU A 67 3.146 23.478 27.359 1.00 15.00 C ATOM 462 O LEU A 67 2.601 22.680 26.595 1.00 15.00 O ATOM 463 CB LEU A 67 2.921 25.666 26.186 1.00 15.00 C ATOM 464 CG LEU A 67 3.639 26.971 25.832 1.00 15.00 C ATOM 465 CD1 LEU A 67 2.704 27.860 25.008 1.00 15.00 C ATOM 466 CD2 LEU A 67 4.031 27.704 27.118 1.00 15.00 C ATOM 0 H LEU A 67 4.550 24.314 24.854 1.00 15.00 H new ATOM 0 HA LEU A 67 4.439 25.159 27.639 1.00 15.00 H new ATOM 0 HB2 LEU A 67 2.479 25.229 25.290 1.00 15.00 H new ATOM 0 HB3 LEU A 67 2.104 25.867 26.879 1.00 15.00 H new ATOM 0 HG LEU A 67 4.535 26.746 25.253 1.00 15.00 H new ATOM 0 HD11 LEU A 67 3.214 28.789 24.756 1.00 15.00 H new ATOM 0 HD12 LEU A 67 2.422 27.341 24.092 1.00 15.00 H new ATOM 0 HD13 LEU A 67 1.809 28.084 25.589 1.00 15.00 H new ATOM 0 HD21 LEU A 67 4.542 28.633 26.866 1.00 15.00 H new ATOM 0 HD22 LEU A 67 3.135 27.928 27.697 1.00 15.00 H new ATOM 0 HD23 LEU A 67 4.695 27.073 27.708 1.00 15.00 H new ATOM 478 N LYS A 68 3.078 23.383 28.685 1.00 15.00 N ATOM 479 CA LYS A 68 2.397 22.271 29.343 1.00 15.00 C ATOM 480 C LYS A 68 1.347 22.791 30.319 1.00 15.00 C ATOM 481 O LYS A 68 1.539 23.821 30.966 1.00 15.00 O ATOM 482 CB LYS A 68 3.415 21.413 30.099 1.00 15.00 C ATOM 483 CG LYS A 68 2.725 20.161 30.645 1.00 15.00 C ATOM 484 CD LYS A 68 3.723 19.348 31.472 1.00 15.00 C ATOM 485 CE LYS A 68 3.082 18.023 31.888 1.00 15.00 C ATOM 486 NZ LYS A 68 2.256 18.233 33.110 1.00 15.00 N ATOM 0 H LYS A 68 3.487 24.064 29.325 1.00 15.00 H new ATOM 0 HA LYS A 68 1.904 21.667 28.581 1.00 15.00 H new ATOM 0 HB2 LYS A 68 4.232 21.130 29.435 1.00 15.00 H new ATOM 0 HB3 LYS A 68 3.853 21.986 30.917 1.00 15.00 H new ATOM 0 HG2 LYS A 68 1.871 20.443 31.261 1.00 15.00 H new ATOM 0 HG3 LYS A 68 2.340 19.557 29.823 1.00 15.00 H new ATOM 0 HD2 LYS A 68 4.626 19.161 30.891 1.00 15.00 H new ATOM 0 HD3 LYS A 68 4.024 19.912 32.355 1.00 15.00 H new ATOM 0 HE2 LYS A 68 2.462 17.637 31.079 1.00 15.00 H new ATOM 0 HE3 LYS A 68 3.854 17.278 32.081 1.00 15.00 H new ATOM 0 HZ1 LYS A 68 1.820 17.332 33.393 1.00 15.00 H new ATOM 0 HZ2 LYS A 68 2.860 18.583 33.881 1.00 15.00 H new ATOM 0 HZ3 LYS A 68 1.511 18.930 32.910 1.00 15.00 H new ATOM 500 N THR A 69 0.240 22.063 30.444 1.00 15.00 N ATOM 501 CA THR A 69 -0.854 22.485 31.317 1.00 15.00 C ATOM 502 C THR A 69 -0.357 22.793 32.728 1.00 15.00 C ATOM 503 O THR A 69 0.430 22.040 33.302 1.00 15.00 O ATOM 504 CB THR A 69 -1.920 21.388 31.381 1.00 15.00 C ATOM 505 OG1 THR A 69 -2.961 21.793 32.258 1.00 15.00 O ATOM 506 CG2 THR A 69 -1.294 20.089 31.895 1.00 15.00 C ATOM 0 H THR A 69 0.076 21.183 29.955 1.00 15.00 H new ATOM 0 HA THR A 69 -1.282 23.396 30.899 1.00 15.00 H new ATOM 0 HB THR A 69 -2.327 21.220 30.384 1.00 15.00 H new ATOM 0 HG1 THR A 69 -3.645 21.093 32.299 1.00 15.00 H new ATOM 0 HG21 THR A 69 -2.056 19.311 31.939 1.00 15.00 H new ATOM 0 HG22 THR A 69 -0.496 19.778 31.221 1.00 15.00 H new ATOM 0 HG23 THR A 69 -0.884 20.252 32.892 1.00 15.00 H new ATOM 514 N GLY A 70 -0.826 23.910 33.279 1.00 15.00 N ATOM 515 CA GLY A 70 -0.414 24.335 34.615 1.00 15.00 C ATOM 516 C GLY A 70 0.510 25.555 34.571 1.00 15.00 C ATOM 517 O GLY A 70 0.545 26.341 35.518 1.00 15.00 O ATOM 0 H GLY A 70 -1.490 24.536 32.823 1.00 15.00 H new ATOM 0 HA2 GLY A 70 -1.297 24.571 35.209 1.00 15.00 H new ATOM 0 HA3 GLY A 70 0.096 23.512 35.116 1.00 15.00 H new ATOM 521 N GLU A 71 1.256 25.718 33.479 1.00 15.00 N ATOM 522 CA GLU A 71 2.171 26.848 33.344 1.00 15.00 C ATOM 523 C GLU A 71 1.645 27.844 32.316 1.00 15.00 C ATOM 524 O GLU A 71 1.046 27.458 31.312 1.00 15.00 O ATOM 525 CB GLU A 71 3.549 26.354 32.902 1.00 15.00 C ATOM 526 CG GLU A 71 4.550 27.515 32.958 1.00 15.00 C ATOM 527 CD GLU A 71 5.929 27.110 32.429 1.00 15.00 C ATOM 528 OE1 GLU A 71 6.094 25.985 31.978 1.00 15.00 O ATOM 529 OE2 GLU A 71 6.817 27.945 32.487 1.00 15.00 O ATOM 0 H GLU A 71 1.244 25.085 32.679 1.00 15.00 H new ATOM 0 HA GLU A 71 2.249 27.342 34.313 1.00 15.00 H new ATOM 0 HB2 GLU A 71 3.881 25.542 33.549 1.00 15.00 H new ATOM 0 HB3 GLU A 71 3.496 25.954 31.890 1.00 15.00 H new ATOM 0 HG2 GLU A 71 4.168 28.351 32.372 1.00 15.00 H new ATOM 0 HG3 GLU A 71 4.644 27.863 33.987 1.00 15.00 H new ATOM 536 N THR A 72 1.873 29.129 32.574 1.00 15.00 N ATOM 537 CA THR A 72 1.469 30.182 31.645 1.00 15.00 C ATOM 538 C THR A 72 2.702 30.876 31.079 1.00 15.00 C ATOM 539 O THR A 72 3.810 30.708 31.590 1.00 15.00 O ATOM 540 CB THR A 72 0.583 31.211 32.355 1.00 15.00 C ATOM 541 OG1 THR A 72 1.337 31.866 33.365 1.00 15.00 O ATOM 542 CG2 THR A 72 -0.627 30.515 32.982 1.00 15.00 C ATOM 0 H THR A 72 2.335 29.467 33.418 1.00 15.00 H new ATOM 0 HA THR A 72 0.902 29.728 30.832 1.00 15.00 H new ATOM 0 HB THR A 72 0.232 31.945 31.630 1.00 15.00 H new ATOM 0 HG1 THR A 72 0.772 32.526 33.819 1.00 15.00 H new ATOM 0 HG21 THR A 72 -1.251 31.254 33.485 1.00 15.00 H new ATOM 0 HG22 THR A 72 -1.206 30.020 32.203 1.00 15.00 H new ATOM 0 HG23 THR A 72 -0.286 29.775 33.706 1.00 15.00 H new ATOM 550 N VAL A 73 2.510 31.671 30.031 1.00 15.00 N ATOM 551 CA VAL A 73 3.630 32.345 29.381 1.00 15.00 C ATOM 552 C VAL A 73 4.399 33.197 30.392 1.00 15.00 C ATOM 553 O VAL A 73 5.629 33.168 30.431 1.00 15.00 O ATOM 554 CB VAL A 73 3.117 33.223 28.231 1.00 15.00 C ATOM 555 CG1 VAL A 73 4.292 33.888 27.505 1.00 15.00 C ATOM 556 CG2 VAL A 73 2.341 32.359 27.233 1.00 15.00 C ATOM 0 H VAL A 73 1.598 31.864 29.616 1.00 15.00 H new ATOM 0 HA VAL A 73 4.306 31.591 28.978 1.00 15.00 H new ATOM 0 HB VAL A 73 2.466 33.993 28.644 1.00 15.00 H new ATOM 0 HG11 VAL A 73 3.914 34.508 26.692 1.00 15.00 H new ATOM 0 HG12 VAL A 73 4.848 34.510 28.206 1.00 15.00 H new ATOM 0 HG13 VAL A 73 4.951 33.120 27.100 1.00 15.00 H new ATOM 0 HG21 VAL A 73 1.977 32.983 26.417 1.00 15.00 H new ATOM 0 HG22 VAL A 73 2.997 31.586 26.834 1.00 15.00 H new ATOM 0 HG23 VAL A 73 1.495 31.892 27.737 1.00 15.00 H new ATOM 566 N ALA A 74 3.668 33.926 31.228 1.00 15.00 N ATOM 567 CA ALA A 74 4.303 34.798 32.211 1.00 15.00 C ATOM 568 C ALA A 74 5.158 33.987 33.183 1.00 15.00 C ATOM 569 O ALA A 74 6.273 34.385 33.516 1.00 15.00 O ATOM 570 CB ALA A 74 3.239 35.583 32.981 1.00 15.00 C ATOM 0 H ALA A 74 2.648 33.932 31.246 1.00 15.00 H new ATOM 0 HA ALA A 74 4.951 35.497 31.682 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.723 36.231 33.712 1.00 15.00 H new ATOM 0 HB2 ALA A 74 2.660 36.190 32.285 1.00 15.00 H new ATOM 0 HB3 ALA A 74 2.575 34.888 33.495 1.00 15.00 H new ATOM 576 N ASP A 75 4.648 32.835 33.614 1.00 15.00 N ATOM 577 CA ASP A 75 5.372 32.012 34.577 1.00 15.00 C ATOM 578 C ASP A 75 6.717 31.573 34.005 1.00 15.00 C ATOM 579 O ASP A 75 7.747 31.661 34.674 1.00 15.00 O ATOM 580 CB ASP A 75 4.544 30.776 34.944 1.00 15.00 C ATOM 581 CG ASP A 75 3.282 31.162 35.717 1.00 15.00 C ATOM 582 OD1 ASP A 75 3.256 32.233 36.305 1.00 15.00 O ATOM 583 OD2 ASP A 75 2.354 30.371 35.715 1.00 15.00 O ATOM 0 H ASP A 75 3.749 32.455 33.316 1.00 15.00 H new ATOM 0 HA ASP A 75 5.547 32.609 35.472 1.00 15.00 H new ATOM 0 HB2 ASP A 75 4.267 30.239 34.037 1.00 15.00 H new ATOM 0 HB3 ASP A 75 5.148 30.097 35.545 1.00 15.00 H new ATOM 588 N LEU A 76 6.705 31.126 32.754 1.00 15.00 N ATOM 589 CA LEU A 76 7.931 30.666 32.112 1.00 15.00 C ATOM 590 C LEU A 76 8.960 31.791 32.068 1.00 15.00 C ATOM 591 O LEU A 76 10.135 31.586 32.369 1.00 15.00 O ATOM 592 CB LEU A 76 7.625 30.187 30.690 1.00 15.00 C ATOM 593 CG LEU A 76 8.888 29.597 30.055 1.00 15.00 C ATOM 594 CD1 LEU A 76 9.231 28.269 30.732 1.00 15.00 C ATOM 595 CD2 LEU A 76 8.639 29.356 28.564 1.00 15.00 C ATOM 0 H LEU A 76 5.870 31.072 32.170 1.00 15.00 H new ATOM 0 HA LEU A 76 8.340 29.838 32.691 1.00 15.00 H new ATOM 0 HB2 LEU A 76 6.834 29.437 30.712 1.00 15.00 H new ATOM 0 HB3 LEU A 76 7.259 31.019 30.088 1.00 15.00 H new ATOM 0 HG LEU A 76 9.717 30.293 30.182 1.00 15.00 H new ATOM 0 HD11 LEU A 76 10.130 27.851 30.279 1.00 15.00 H new ATOM 0 HD12 LEU A 76 9.405 28.437 31.795 1.00 15.00 H new ATOM 0 HD13 LEU A 76 8.403 27.572 30.606 1.00 15.00 H new ATOM 0 HD21 LEU A 76 9.536 28.936 28.109 1.00 15.00 H new ATOM 0 HD22 LEU A 76 7.810 28.659 28.442 1.00 15.00 H new ATOM 0 HD23 LEU A 76 8.394 30.301 28.079 1.00 15.00 H new ATOM 607 N SER A 77 8.505 32.986 31.717 1.00 15.00 N ATOM 608 CA SER A 77 9.398 34.133 31.614 1.00 15.00 C ATOM 609 C SER A 77 10.069 34.428 32.951 1.00 15.00 C ATOM 610 O SER A 77 11.254 34.754 32.998 1.00 15.00 O ATOM 611 CB SER A 77 8.610 35.359 31.156 1.00 15.00 C ATOM 612 OG SER A 77 9.516 36.400 30.819 1.00 15.00 O ATOM 0 H SER A 77 7.529 33.186 31.500 1.00 15.00 H new ATOM 0 HA SER A 77 10.173 33.898 30.885 1.00 15.00 H new ATOM 0 HB2 SER A 77 7.991 35.107 30.295 1.00 15.00 H new ATOM 0 HB3 SER A 77 7.937 35.689 31.947 1.00 15.00 H new ATOM 0 HG SER A 77 9.982 36.702 31.626 1.00 15.00 H new ATOM 618 N LYS A 78 9.304 34.326 34.032 1.00 15.00 N ATOM 619 CA LYS A 78 9.834 34.613 35.361 1.00 15.00 C ATOM 620 C LYS A 78 10.964 33.651 35.716 1.00 15.00 C ATOM 621 O LYS A 78 12.015 34.066 36.205 1.00 15.00 O ATOM 622 CB LYS A 78 8.716 34.499 36.399 1.00 15.00 C ATOM 623 CG LYS A 78 9.233 34.948 37.767 1.00 15.00 C ATOM 624 CD LYS A 78 8.137 34.755 38.816 1.00 15.00 C ATOM 625 CE LYS A 78 8.594 35.347 40.151 1.00 15.00 C ATOM 626 NZ LYS A 78 8.400 36.825 40.131 1.00 15.00 N ATOM 0 H LYS A 78 8.322 34.049 34.016 1.00 15.00 H new ATOM 0 HA LYS A 78 10.232 35.628 35.361 1.00 15.00 H new ATOM 0 HB2 LYS A 78 7.866 35.114 36.101 1.00 15.00 H new ATOM 0 HB3 LYS A 78 8.361 33.470 36.454 1.00 15.00 H new ATOM 0 HG2 LYS A 78 10.118 34.372 38.040 1.00 15.00 H new ATOM 0 HG3 LYS A 78 9.533 35.995 37.728 1.00 15.00 H new ATOM 0 HD2 LYS A 78 7.217 35.239 38.488 1.00 15.00 H new ATOM 0 HD3 LYS A 78 7.915 33.694 38.934 1.00 15.00 H new ATOM 0 HE2 LYS A 78 8.026 34.906 40.970 1.00 15.00 H new ATOM 0 HE3 LYS A 78 9.643 35.109 40.326 1.00 15.00 H new ATOM 0 HZ1 LYS A 78 8.614 37.216 41.071 1.00 15.00 H new ATOM 0 HZ2 LYS A 78 9.037 37.249 39.426 1.00 15.00 H new ATOM 0 HZ3 LYS A 78 7.414 37.042 39.882 1.00 15.00 H new ATOM 640 N SER A 79 10.739 32.366 35.469 1.00 15.00 N ATOM 641 CA SER A 79 11.734 31.349 35.794 1.00 15.00 C ATOM 642 C SER A 79 13.025 31.583 35.015 1.00 15.00 C ATOM 643 O SER A 79 14.122 31.478 35.566 1.00 15.00 O ATOM 644 CB SER A 79 11.185 29.960 35.465 1.00 15.00 C ATOM 645 OG SER A 79 12.081 28.975 35.960 1.00 15.00 O ATOM 0 H SER A 79 9.883 32.004 35.048 1.00 15.00 H new ATOM 0 HA SER A 79 11.953 31.414 36.860 1.00 15.00 H new ATOM 0 HB2 SER A 79 10.199 29.830 35.912 1.00 15.00 H new ATOM 0 HB3 SER A 79 11.063 29.850 34.387 1.00 15.00 H new ATOM 0 HG SER A 79 11.733 28.083 35.753 1.00 15.00 H new ATOM 651 N GLN A 80 12.885 31.898 33.733 1.00 15.00 N ATOM 652 CA GLN A 80 14.045 32.146 32.876 1.00 15.00 C ATOM 653 C GLN A 80 14.698 33.514 33.120 1.00 15.00 C ATOM 654 O GLN A 80 15.766 33.787 32.572 1.00 15.00 O ATOM 655 CB GLN A 80 13.624 32.047 31.408 1.00 15.00 C ATOM 656 CG GLN A 80 13.168 30.617 31.102 1.00 15.00 C ATOM 657 CD GLN A 80 12.660 30.511 29.666 1.00 15.00 C ATOM 658 OE1 GLN A 80 12.342 31.519 29.034 1.00 15.00 O ATOM 659 NE2 GLN A 80 12.565 29.334 29.108 1.00 15.00 N ATOM 0 H GLN A 80 11.985 31.988 33.262 1.00 15.00 H new ATOM 0 HA GLN A 80 14.787 31.387 33.124 1.00 15.00 H new ATOM 0 HB2 GLN A 80 12.816 32.749 31.202 1.00 15.00 H new ATOM 0 HB3 GLN A 80 14.457 32.321 30.761 1.00 15.00 H new ATOM 0 HG2 GLN A 80 13.997 29.925 31.252 1.00 15.00 H new ATOM 0 HG3 GLN A 80 12.379 30.325 31.795 1.00 15.00 H new ATOM 0 HE21 GLN A 80 12.828 28.499 29.631 1.00 15.00 H new ATOM 0 HE22 GLN A 80 12.228 29.250 28.149 1.00 15.00 H new ATOM 668 N ASP A 81 14.071 34.373 33.925 1.00 15.00 N ATOM 669 CA ASP A 81 14.608 35.706 34.175 1.00 15.00 C ATOM 670 C ASP A 81 14.709 36.495 32.871 1.00 15.00 C ATOM 671 O ASP A 81 15.692 37.192 32.616 1.00 15.00 O ATOM 672 CB ASP A 81 15.986 35.598 34.837 1.00 15.00 C ATOM 673 CG ASP A 81 16.445 36.972 35.313 1.00 15.00 C ATOM 674 OD1 ASP A 81 16.041 37.367 36.395 1.00 15.00 O ATOM 675 OD2 ASP A 81 17.191 37.611 34.589 1.00 15.00 O ATOM 0 H ASP A 81 13.197 34.169 34.411 1.00 15.00 H new ATOM 0 HA ASP A 81 13.932 36.236 34.846 1.00 15.00 H new ATOM 0 HB2 ASP A 81 15.941 34.908 35.680 1.00 15.00 H new ATOM 0 HB3 ASP A 81 16.707 35.189 34.129 1.00 15.00 H new ATOM 680 N ILE A 82 13.670 36.383 32.047 1.00 15.00 N ATOM 681 CA ILE A 82 13.611 37.101 30.776 1.00 15.00 C ATOM 682 C ILE A 82 12.465 38.109 30.810 1.00 15.00 C ATOM 683 O ILE A 82 11.440 37.868 31.446 1.00 15.00 O ATOM 684 CB ILE A 82 13.406 36.114 29.619 1.00 15.00 C ATOM 685 CG1 ILE A 82 14.529 35.072 29.624 1.00 15.00 C ATOM 686 CG2 ILE A 82 13.428 36.866 28.285 1.00 15.00 C ATOM 687 CD1 ILE A 82 14.236 33.994 28.578 1.00 15.00 C ATOM 0 H ILE A 82 12.855 35.800 32.237 1.00 15.00 H new ATOM 0 HA ILE A 82 14.552 37.630 30.622 1.00 15.00 H new ATOM 0 HB ILE A 82 12.443 35.618 29.743 1.00 15.00 H new ATOM 0 HG12 ILE A 82 15.484 35.551 29.409 1.00 15.00 H new ATOM 0 HG13 ILE A 82 14.615 34.620 30.612 1.00 15.00 H new ATOM 0 HG21 ILE A 82 13.282 36.160 27.467 1.00 15.00 H new ATOM 0 HG22 ILE A 82 12.629 37.607 28.272 1.00 15.00 H new ATOM 0 HG23 ILE A 82 14.389 37.366 28.165 1.00 15.00 H new ATOM 0 HD11 ILE A 82 15.037 33.254 28.584 1.00 15.00 H new ATOM 0 HD12 ILE A 82 13.290 33.507 28.813 1.00 15.00 H new ATOM 0 HD13 ILE A 82 14.173 34.452 27.591 1.00 15.00 H new ATOM 699 N ASN A 83 12.648 39.239 30.135 1.00 15.00 N ATOM 700 CA ASN A 83 11.626 40.279 30.124 1.00 15.00 C ATOM 701 C ASN A 83 10.503 39.925 29.155 1.00 15.00 C ATOM 702 O ASN A 83 10.749 39.490 28.029 1.00 15.00 O ATOM 703 CB ASN A 83 12.248 41.618 29.720 1.00 15.00 C ATOM 704 CG ASN A 83 13.282 42.056 30.754 1.00 15.00 C ATOM 705 OD1 ASN A 83 13.230 41.631 31.909 1.00 15.00 O ATOM 706 ND2 ASN A 83 14.227 42.886 30.405 1.00 15.00 N ATOM 0 H ASN A 83 13.485 39.457 29.594 1.00 15.00 H new ATOM 0 HA ASN A 83 11.209 40.358 31.128 1.00 15.00 H new ATOM 0 HB2 ASN A 83 12.719 41.527 28.741 1.00 15.00 H new ATOM 0 HB3 ASN A 83 11.470 42.376 29.631 1.00 15.00 H new ATOM 0 HD21 ASN A 83 14.923 43.183 31.089 1.00 15.00 H new ATOM 0 HD22 ASN A 83 14.269 43.237 29.448 1.00 15.00 H new ATOM 713 N LEU A 84 9.264 40.126 29.594 1.00 15.00 N ATOM 714 CA LEU A 84 8.111 39.820 28.752 1.00 15.00 C ATOM 715 C LEU A 84 8.185 40.586 27.433 1.00 15.00 C ATOM 716 O LEU A 84 7.838 40.050 26.381 1.00 15.00 O ATOM 717 CB LEU A 84 6.813 40.179 29.481 1.00 15.00 C ATOM 718 CG LEU A 84 6.707 39.391 30.790 1.00 15.00 C ATOM 719 CD1 LEU A 84 5.456 39.835 31.552 1.00 15.00 C ATOM 720 CD2 LEU A 84 6.602 37.895 30.485 1.00 15.00 C ATOM 0 H LEU A 84 9.033 40.495 30.517 1.00 15.00 H new ATOM 0 HA LEU A 84 8.122 38.751 28.538 1.00 15.00 H new ATOM 0 HB2 LEU A 84 6.788 41.249 29.689 1.00 15.00 H new ATOM 0 HB3 LEU A 84 5.956 39.958 28.844 1.00 15.00 H new ATOM 0 HG LEU A 84 7.594 39.579 31.394 1.00 15.00 H new ATOM 0 HD11 LEU A 84 5.380 39.275 32.484 1.00 15.00 H new ATOM 0 HD12 LEU A 84 5.524 40.900 31.773 1.00 15.00 H new ATOM 0 HD13 LEU A 84 4.572 39.647 30.942 1.00 15.00 H new ATOM 0 HD21 LEU A 84 6.527 37.338 31.419 1.00 15.00 H new ATOM 0 HD22 LEU A 84 5.716 37.709 29.879 1.00 15.00 H new ATOM 0 HD23 LEU A 84 7.489 37.572 29.940 1.00 15.00 H new ATOM 732 N SER A 85 8.661 41.827 27.483 1.00 15.00 N ATOM 733 CA SER A 85 8.758 42.642 26.278 1.00 15.00 C ATOM 734 C SER A 85 9.647 41.959 25.245 1.00 15.00 C ATOM 735 O SER A 85 9.309 41.895 24.064 1.00 15.00 O ATOM 736 CB SER A 85 9.333 44.017 26.621 1.00 15.00 C ATOM 737 OG SER A 85 9.243 44.859 25.479 1.00 15.00 O ATOM 0 H SER A 85 8.982 42.286 28.336 1.00 15.00 H new ATOM 0 HA SER A 85 7.759 42.763 25.860 1.00 15.00 H new ATOM 0 HB2 SER A 85 8.786 44.456 27.455 1.00 15.00 H new ATOM 0 HB3 SER A 85 10.372 43.922 26.937 1.00 15.00 H new ATOM 0 HG SER A 85 9.609 45.742 25.694 1.00 15.00 H new ATOM 743 N THR A 86 10.774 41.423 25.700 1.00 15.00 N ATOM 744 CA THR A 86 11.711 40.764 24.796 1.00 15.00 C ATOM 745 C THR A 86 11.062 39.554 24.129 1.00 15.00 C ATOM 746 O THR A 86 11.158 39.370 22.915 1.00 15.00 O ATOM 747 CB THR A 86 12.955 40.319 25.569 1.00 15.00 C ATOM 748 OG1 THR A 86 13.498 41.431 26.268 1.00 15.00 O ATOM 749 CG2 THR A 86 13.998 39.769 24.595 1.00 15.00 C ATOM 0 H THR A 86 11.060 41.431 26.679 1.00 15.00 H new ATOM 0 HA THR A 86 11.998 41.476 24.022 1.00 15.00 H new ATOM 0 HB THR A 86 12.680 39.539 26.279 1.00 15.00 H new ATOM 0 HG1 THR A 86 14.294 41.148 26.765 1.00 15.00 H new ATOM 0 HG21 THR A 86 14.882 39.453 25.149 1.00 15.00 H new ATOM 0 HG22 THR A 86 13.581 38.916 24.059 1.00 15.00 H new ATOM 0 HG23 THR A 86 14.275 40.545 23.882 1.00 15.00 H new ATOM 757 N ILE A 87 10.364 38.748 24.923 1.00 15.00 N ATOM 758 CA ILE A 87 9.736 37.538 24.402 1.00 15.00 C ATOM 759 C ILE A 87 8.768 37.894 23.276 1.00 15.00 C ATOM 760 O ILE A 87 8.764 37.262 22.221 1.00 15.00 O ATOM 761 CB ILE A 87 8.990 36.804 25.525 1.00 15.00 C ATOM 762 CG1 ILE A 87 9.964 36.476 26.660 1.00 15.00 C ATOM 763 CG2 ILE A 87 8.393 35.498 24.991 1.00 15.00 C ATOM 764 CD1 ILE A 87 9.192 35.907 27.852 1.00 15.00 C ATOM 0 H ILE A 87 10.220 38.908 25.920 1.00 15.00 H new ATOM 0 HA ILE A 87 10.511 36.881 24.007 1.00 15.00 H new ATOM 0 HB ILE A 87 8.191 37.446 25.895 1.00 15.00 H new ATOM 0 HG12 ILE A 87 10.707 35.756 26.318 1.00 15.00 H new ATOM 0 HG13 ILE A 87 10.505 37.374 26.959 1.00 15.00 H new ATOM 0 HG21 ILE A 87 7.866 34.984 25.794 1.00 15.00 H new ATOM 0 HG22 ILE A 87 7.696 35.720 24.183 1.00 15.00 H new ATOM 0 HG23 ILE A 87 9.192 34.860 24.615 1.00 15.00 H new ATOM 0 HD11 ILE A 87 9.888 35.674 28.658 1.00 15.00 H new ATOM 0 HD12 ILE A 87 8.466 36.642 28.200 1.00 15.00 H new ATOM 0 HD13 ILE A 87 8.672 34.999 27.548 1.00 15.00 H new ATOM 776 N TRP A 88 7.964 38.924 23.504 1.00 15.00 N ATOM 777 CA TRP A 88 6.994 39.357 22.503 1.00 15.00 C ATOM 778 C TRP A 88 7.682 39.765 21.203 1.00 15.00 C ATOM 779 O TRP A 88 7.292 39.325 20.123 1.00 15.00 O ATOM 780 CB TRP A 88 6.184 40.539 23.040 1.00 15.00 C ATOM 781 CG TRP A 88 5.123 41.006 22.096 1.00 15.00 C ATOM 782 CD1 TRP A 88 4.058 40.272 21.699 1.00 15.00 C ATOM 783 CD2 TRP A 88 5.003 42.296 21.425 1.00 15.00 C ATOM 784 NE1 TRP A 88 3.294 41.026 20.829 1.00 15.00 N ATOM 785 CE2 TRP A 88 3.834 42.281 20.627 1.00 15.00 C ATOM 786 CE3 TRP A 88 5.787 43.462 21.431 1.00 15.00 C ATOM 787 CZ2 TRP A 88 3.457 43.387 19.862 1.00 15.00 C ATOM 788 CZ3 TRP A 88 5.412 44.575 20.665 1.00 15.00 C ATOM 789 CH2 TRP A 88 4.250 44.539 19.882 1.00 15.00 C ATOM 0 H TRP A 88 7.962 39.472 24.364 1.00 15.00 H new ATOM 0 HA TRP A 88 6.332 38.517 22.294 1.00 15.00 H new ATOM 0 HB2 TRP A 88 5.720 40.254 23.984 1.00 15.00 H new ATOM 0 HB3 TRP A 88 6.860 41.367 23.254 1.00 15.00 H new ATOM 0 HD1 TRP A 88 3.840 39.261 22.011 1.00 15.00 H new ATOM 0 HE1 TRP A 88 2.435 40.696 20.389 1.00 15.00 H new ATOM 0 HE3 TRP A 88 6.685 43.501 22.030 1.00 15.00 H new ATOM 0 HZ2 TRP A 88 2.561 43.353 19.260 1.00 15.00 H new ATOM 0 HZ3 TRP A 88 6.022 45.466 20.678 1.00 15.00 H new ATOM 0 HH2 TRP A 88 3.967 45.400 19.295 1.00 15.00 H new ATOM 800 N SER A 89 8.730 40.576 21.309 1.00 15.00 N ATOM 801 CA SER A 89 9.405 41.089 20.121 1.00 15.00 C ATOM 802 C SER A 89 9.861 39.955 19.207 1.00 15.00 C ATOM 803 O SER A 89 9.785 40.071 17.983 1.00 15.00 O ATOM 804 CB SER A 89 10.617 41.924 20.537 1.00 15.00 C ATOM 805 OG SER A 89 11.593 41.071 21.121 1.00 15.00 O ATOM 0 H SER A 89 9.127 40.890 22.195 1.00 15.00 H new ATOM 0 HA SER A 89 8.696 41.708 19.571 1.00 15.00 H new ATOM 0 HB2 SER A 89 11.036 42.436 19.671 1.00 15.00 H new ATOM 0 HB3 SER A 89 10.317 42.694 21.248 1.00 15.00 H new ATOM 0 HG SER A 89 11.247 40.705 21.962 1.00 15.00 H new ATOM 811 N LEU A 90 10.340 38.864 19.797 1.00 15.00 N ATOM 812 CA LEU A 90 10.806 37.729 19.005 1.00 15.00 C ATOM 813 C LEU A 90 9.643 36.952 18.388 1.00 15.00 C ATOM 814 O LEU A 90 9.596 36.751 17.175 1.00 15.00 O ATOM 815 CB LEU A 90 11.636 36.789 19.886 1.00 15.00 C ATOM 816 CG LEU A 90 12.817 37.549 20.498 1.00 15.00 C ATOM 817 CD1 LEU A 90 13.573 36.627 21.457 1.00 15.00 C ATOM 818 CD2 LEU A 90 13.767 38.010 19.390 1.00 15.00 C ATOM 0 H LEU A 90 10.416 38.741 20.807 1.00 15.00 H new ATOM 0 HA LEU A 90 11.419 38.121 18.193 1.00 15.00 H new ATOM 0 HB2 LEU A 90 11.012 36.373 20.677 1.00 15.00 H new ATOM 0 HB3 LEU A 90 12.001 35.950 19.294 1.00 15.00 H new ATOM 0 HG LEU A 90 12.442 38.418 21.039 1.00 15.00 H new ATOM 0 HD11 LEU A 90 14.414 37.166 21.893 1.00 15.00 H new ATOM 0 HD12 LEU A 90 12.902 36.298 22.250 1.00 15.00 H new ATOM 0 HD13 LEU A 90 13.943 35.759 20.911 1.00 15.00 H new ATOM 0 HD21 LEU A 90 14.605 38.550 19.831 1.00 15.00 H new ATOM 0 HD22 LEU A 90 14.140 37.142 18.846 1.00 15.00 H new ATOM 0 HD23 LEU A 90 13.233 38.667 18.703 1.00 15.00 H new ATOM 830 N ASN A 91 8.686 36.547 19.217 1.00 15.00 N ATOM 831 CA ASN A 91 7.609 35.669 18.754 1.00 15.00 C ATOM 832 C ASN A 91 6.389 36.419 18.207 1.00 15.00 C ATOM 833 O ASN A 91 5.370 35.792 17.913 1.00 15.00 O ATOM 834 CB ASN A 91 7.166 34.755 19.900 1.00 15.00 C ATOM 835 CG ASN A 91 8.313 33.835 20.302 1.00 15.00 C ATOM 836 OD1 ASN A 91 8.240 32.621 20.109 1.00 15.00 O ATOM 837 ND2 ASN A 91 9.379 34.341 20.857 1.00 15.00 N ATOM 0 H ASN A 91 8.631 36.807 20.202 1.00 15.00 H new ATOM 0 HA ASN A 91 8.019 35.093 17.925 1.00 15.00 H new ATOM 0 HB2 ASN A 91 6.852 35.355 20.755 1.00 15.00 H new ATOM 0 HB3 ASN A 91 6.304 34.163 19.592 1.00 15.00 H new ATOM 0 HD21 ASN A 91 10.150 33.732 21.130 1.00 15.00 H new ATOM 0 HD22 ASN A 91 9.442 35.346 21.018 1.00 15.00 H new ATOM 844 N LYS A 92 6.472 37.743 18.067 1.00 15.00 N ATOM 845 CA LYS A 92 5.356 38.511 17.515 1.00 15.00 C ATOM 846 C LYS A 92 4.890 37.953 16.168 1.00 15.00 C ATOM 847 O LYS A 92 3.725 38.112 15.806 1.00 15.00 O ATOM 848 CB LYS A 92 5.737 39.987 17.356 1.00 15.00 C ATOM 849 CG LYS A 92 6.912 40.132 16.385 1.00 15.00 C ATOM 850 CD LYS A 92 7.120 41.611 16.042 1.00 15.00 C ATOM 851 CE LYS A 92 7.687 42.363 17.249 1.00 15.00 C ATOM 852 NZ LYS A 92 7.704 43.824 16.955 1.00 15.00 N ATOM 0 H LYS A 92 7.288 38.299 18.324 1.00 15.00 H new ATOM 0 HA LYS A 92 4.531 38.425 18.222 1.00 15.00 H new ATOM 0 HB2 LYS A 92 4.881 40.553 16.988 1.00 15.00 H new ATOM 0 HB3 LYS A 92 6.004 40.407 18.326 1.00 15.00 H new ATOM 0 HG2 LYS A 92 7.818 39.722 16.831 1.00 15.00 H new ATOM 0 HG3 LYS A 92 6.718 39.562 15.476 1.00 15.00 H new ATOM 0 HD2 LYS A 92 7.801 41.703 15.196 1.00 15.00 H new ATOM 0 HD3 LYS A 92 6.173 42.058 15.739 1.00 15.00 H new ATOM 0 HE2 LYS A 92 7.081 42.165 18.133 1.00 15.00 H new ATOM 0 HE3 LYS A 92 8.695 42.013 17.469 1.00 15.00 H new ATOM 0 HZ1 LYS A 92 8.089 44.338 17.773 1.00 15.00 H new ATOM 0 HZ2 LYS A 92 8.300 44.004 16.122 1.00 15.00 H new ATOM 0 HZ3 LYS A 92 6.735 44.151 16.765 1.00 15.00 H new ATOM 866 N HIS A 93 5.795 37.321 15.418 1.00 15.00 N ATOM 867 CA HIS A 93 5.427 36.750 14.127 1.00 15.00 C ATOM 868 C HIS A 93 4.625 35.457 14.301 1.00 15.00 C ATOM 869 O HIS A 93 3.709 35.181 13.528 1.00 15.00 O ATOM 870 CB HIS A 93 6.682 36.508 13.275 1.00 15.00 C ATOM 871 CG HIS A 93 7.528 35.332 13.692 1.00 15.00 C ATOM 872 ND1 HIS A 93 8.483 35.411 14.696 1.00 15.00 N ATOM 873 CD2 HIS A 93 7.589 34.042 13.223 1.00 15.00 C ATOM 874 CE1 HIS A 93 9.070 34.205 14.793 1.00 15.00 C ATOM 875 NE2 HIS A 93 8.563 33.333 13.919 1.00 15.00 N ATOM 0 H HIS A 93 6.773 37.194 15.679 1.00 15.00 H new ATOM 0 HA HIS A 93 4.788 37.464 13.607 1.00 15.00 H new ATOM 0 HB2 HIS A 93 6.375 36.364 12.239 1.00 15.00 H new ATOM 0 HB3 HIS A 93 7.299 37.406 13.303 1.00 15.00 H new ATOM 0 HD1 HIS A 93 8.700 36.234 15.258 1.00 15.00 H new ATOM 0 HD2 HIS A 93 6.973 33.639 12.433 1.00 15.00 H new ATOM 0 HE1 HIS A 93 9.857 33.970 15.494 1.00 15.00 H new ATOM 883 N LEU A 94 4.972 34.669 15.318 1.00 15.00 N ATOM 884 CA LEU A 94 4.286 33.403 15.561 1.00 15.00 C ATOM 885 C LEU A 94 2.839 33.631 15.992 1.00 15.00 C ATOM 886 O LEU A 94 1.933 32.923 15.550 1.00 15.00 O ATOM 887 CB LEU A 94 5.012 32.615 16.653 1.00 15.00 C ATOM 888 CG LEU A 94 6.467 32.371 16.245 1.00 15.00 C ATOM 889 CD1 LEU A 94 7.203 31.672 17.389 1.00 15.00 C ATOM 890 CD2 LEU A 94 6.514 31.480 15.001 1.00 15.00 C ATOM 0 H LEU A 94 5.717 34.883 15.981 1.00 15.00 H new ATOM 0 HA LEU A 94 4.290 32.839 14.628 1.00 15.00 H new ATOM 0 HB2 LEU A 94 4.977 33.165 17.594 1.00 15.00 H new ATOM 0 HB3 LEU A 94 4.509 31.663 16.821 1.00 15.00 H new ATOM 0 HG LEU A 94 6.943 33.327 16.026 1.00 15.00 H new ATOM 0 HD11 LEU A 94 8.240 31.497 17.101 1.00 15.00 H new ATOM 0 HD12 LEU A 94 7.175 32.302 18.278 1.00 15.00 H new ATOM 0 HD13 LEU A 94 6.720 30.719 17.604 1.00 15.00 H new ATOM 0 HD21 LEU A 94 7.552 31.309 14.715 1.00 15.00 H new ATOM 0 HD22 LEU A 94 6.036 30.525 15.219 1.00 15.00 H new ATOM 0 HD23 LEU A 94 5.988 31.970 14.182 1.00 15.00 H new ATOM 902 N TYR A 95 2.627 34.621 16.855 1.00 15.00 N ATOM 903 CA TYR A 95 1.290 34.906 17.375 1.00 15.00 C ATOM 904 C TYR A 95 0.778 36.246 16.859 1.00 15.00 C ATOM 905 O TYR A 95 1.550 37.178 16.640 1.00 15.00 O ATOM 906 CB TYR A 95 1.327 34.923 18.904 1.00 15.00 C ATOM 907 CG TYR A 95 1.730 33.597 19.507 1.00 15.00 C ATOM 908 CD1 TYR A 95 0.780 32.579 19.649 1.00 15.00 C ATOM 909 CD2 TYR A 95 3.051 33.385 19.921 1.00 15.00 C ATOM 910 CE1 TYR A 95 1.148 31.349 20.206 1.00 15.00 C ATOM 911 CE2 TYR A 95 3.420 32.154 20.479 1.00 15.00 C ATOM 912 CZ TYR A 95 2.469 31.137 20.620 1.00 15.00 C ATOM 913 OH TYR A 95 2.828 29.924 21.174 1.00 15.00 O ATOM 0 H TYR A 95 3.359 35.237 17.208 1.00 15.00 H new ATOM 0 HA TYR A 95 0.613 34.124 17.031 1.00 15.00 H new ATOM 0 HB2 TYR A 95 2.025 35.692 19.235 1.00 15.00 H new ATOM 0 HB3 TYR A 95 0.343 35.202 19.281 1.00 15.00 H new ATOM 0 HD1 TYR A 95 -0.238 32.743 19.328 1.00 15.00 H new ATOM 0 HD2 TYR A 95 3.785 34.170 19.810 1.00 15.00 H new ATOM 0 HE1 TYR A 95 0.414 30.564 20.316 1.00 15.00 H new ATOM 0 HE2 TYR A 95 4.438 31.990 20.800 1.00 15.00 H new ATOM 0 HH TYR A 95 3.687 29.635 20.801 1.00 15.00 H new ATOM 923 N SER A 96 -0.536 36.337 16.677 1.00 15.00 N ATOM 924 CA SER A 96 -1.143 37.535 16.108 1.00 15.00 C ATOM 925 C SER A 96 -1.037 38.724 17.058 1.00 15.00 C ATOM 926 O SER A 96 -0.754 39.843 16.632 1.00 15.00 O ATOM 927 CB SER A 96 -2.615 37.267 15.792 1.00 15.00 C ATOM 928 OG SER A 96 -2.712 36.124 14.953 1.00 15.00 O ATOM 0 H SER A 96 -1.198 35.599 16.914 1.00 15.00 H new ATOM 0 HA SER A 96 -0.602 37.781 15.194 1.00 15.00 H new ATOM 0 HB2 SER A 96 -3.174 37.105 16.714 1.00 15.00 H new ATOM 0 HB3 SER A 96 -3.057 38.133 15.300 1.00 15.00 H new ATOM 0 HG SER A 96 -3.654 35.947 14.749 1.00 15.00 H new ATOM 934 N SER A 97 -1.265 38.477 18.346 1.00 15.00 N ATOM 935 CA SER A 97 -1.266 39.559 19.325 1.00 15.00 C ATOM 936 C SER A 97 -0.877 39.051 20.710 1.00 15.00 C ATOM 937 O SER A 97 -0.787 37.845 20.941 1.00 15.00 O ATOM 938 CB SER A 97 -2.653 40.199 19.390 1.00 15.00 C ATOM 939 OG SER A 97 -3.561 39.286 19.991 1.00 15.00 O ATOM 0 H SER A 97 -1.449 37.551 18.731 1.00 15.00 H new ATOM 0 HA SER A 97 -0.531 40.299 19.010 1.00 15.00 H new ATOM 0 HB2 SER A 97 -2.613 41.123 19.966 1.00 15.00 H new ATOM 0 HB3 SER A 97 -2.993 40.462 18.388 1.00 15.00 H new ATOM 0 HG SER A 97 -4.452 39.693 20.037 1.00 15.00 H new ATOM 945 N GLU A 98 -0.648 39.987 21.627 1.00 15.00 N ATOM 946 CA GLU A 98 -0.269 39.640 22.993 1.00 15.00 C ATOM 947 C GLU A 98 -1.355 38.816 23.682 1.00 15.00 C ATOM 948 O GLU A 98 -1.054 37.934 24.487 1.00 15.00 O ATOM 949 CB GLU A 98 -0.017 40.916 23.799 1.00 15.00 C ATOM 950 CG GLU A 98 1.173 41.675 23.203 1.00 15.00 C ATOM 951 CD GLU A 98 1.521 42.922 24.024 1.00 15.00 C ATOM 952 OE1 GLU A 98 0.754 43.296 24.899 1.00 15.00 O ATOM 953 OE2 GLU A 98 2.566 43.494 23.759 1.00 15.00 O ATOM 0 H GLU A 98 -0.718 40.989 21.449 1.00 15.00 H new ATOM 0 HA GLU A 98 0.640 39.040 22.946 1.00 15.00 H new ATOM 0 HB2 GLU A 98 -0.906 41.547 23.788 1.00 15.00 H new ATOM 0 HB3 GLU A 98 0.183 40.666 24.841 1.00 15.00 H new ATOM 0 HG2 GLU A 98 2.040 41.015 23.159 1.00 15.00 H new ATOM 0 HG3 GLU A 98 0.942 41.967 22.179 1.00 15.00 H new ATOM 960 N SER A 99 -2.618 39.098 23.368 1.00 15.00 N ATOM 961 CA SER A 99 -3.726 38.400 24.012 1.00 15.00 C ATOM 962 C SER A 99 -3.598 36.891 23.823 1.00 15.00 C ATOM 963 O SER A 99 -3.754 36.121 24.773 1.00 15.00 O ATOM 964 CB SER A 99 -5.055 38.877 23.426 1.00 15.00 C ATOM 965 OG SER A 99 -6.125 38.330 24.186 1.00 15.00 O ATOM 0 H SER A 99 -2.897 39.797 22.679 1.00 15.00 H new ATOM 0 HA SER A 99 -3.697 38.623 25.079 1.00 15.00 H new ATOM 0 HB2 SER A 99 -5.102 39.966 23.441 1.00 15.00 H new ATOM 0 HB3 SER A 99 -5.138 38.568 22.384 1.00 15.00 H new ATOM 0 HG SER A 99 -6.979 38.635 23.815 1.00 15.00 H new ATOM 971 N GLU A 100 -3.273 36.473 22.606 1.00 15.00 N ATOM 972 CA GLU A 100 -3.122 35.051 22.315 1.00 15.00 C ATOM 973 C GLU A 100 -2.006 34.428 23.153 1.00 15.00 C ATOM 974 O GLU A 100 -2.104 33.268 23.554 1.00 15.00 O ATOM 975 CB GLU A 100 -2.839 34.847 20.825 1.00 15.00 C ATOM 976 CG GLU A 100 -4.070 35.277 20.018 1.00 15.00 C ATOM 977 CD GLU A 100 -3.884 35.027 18.520 1.00 15.00 C ATOM 978 OE1 GLU A 100 -2.763 34.797 18.088 1.00 15.00 O ATOM 979 OE2 GLU A 100 -4.874 35.097 17.811 1.00 15.00 O ATOM 0 H GLU A 100 -3.110 37.091 21.811 1.00 15.00 H new ATOM 0 HA GLU A 100 -4.056 34.552 22.575 1.00 15.00 H new ATOM 0 HB2 GLU A 100 -1.969 35.431 20.524 1.00 15.00 H new ATOM 0 HB3 GLU A 100 -2.605 33.801 20.626 1.00 15.00 H new ATOM 0 HG2 GLU A 100 -4.945 34.731 20.372 1.00 15.00 H new ATOM 0 HG3 GLU A 100 -4.264 36.336 20.188 1.00 15.00 H new ATOM 986 N MET A 101 -0.950 35.194 23.419 1.00 15.00 N ATOM 987 CA MET A 101 0.162 34.686 24.216 1.00 15.00 C ATOM 988 C MET A 101 -0.287 34.397 25.645 1.00 15.00 C ATOM 989 O MET A 101 -0.100 33.292 26.154 1.00 15.00 O ATOM 990 CB MET A 101 1.296 35.714 24.240 1.00 15.00 C ATOM 991 CG MET A 101 1.848 35.905 22.826 1.00 15.00 C ATOM 992 SD MET A 101 3.315 36.964 22.887 1.00 15.00 S ATOM 993 CE MET A 101 4.444 35.763 23.633 1.00 15.00 C ATOM 0 H MET A 101 -0.842 36.156 23.099 1.00 15.00 H new ATOM 0 HA MET A 101 0.514 33.759 23.763 1.00 15.00 H new ATOM 0 HB2 MET A 101 0.930 36.664 24.630 1.00 15.00 H new ATOM 0 HB3 MET A 101 2.089 35.379 24.908 1.00 15.00 H new ATOM 0 HG2 MET A 101 2.102 34.939 22.390 1.00 15.00 H new ATOM 0 HG3 MET A 101 1.089 36.354 22.186 1.00 15.00 H new ATOM 0 HE1 MET A 101 5.351 35.695 23.033 1.00 15.00 H new ATOM 0 HE2 MET A 101 4.701 36.083 24.643 1.00 15.00 H new ATOM 0 HE3 MET A 101 3.961 34.786 23.674 1.00 15.00 H new ATOM 1003 N MET A 102 -0.943 35.370 26.268 1.00 15.00 N ATOM 1004 CA MET A 102 -1.373 35.221 27.656 1.00 15.00 C ATOM 1005 C MET A 102 -2.335 34.046 27.821 1.00 15.00 C ATOM 1006 O MET A 102 -2.296 33.339 28.828 1.00 15.00 O ATOM 1007 CB MET A 102 -2.050 36.507 28.135 1.00 15.00 C ATOM 1008 CG MET A 102 -1.023 37.641 28.170 1.00 15.00 C ATOM 1009 SD MET A 102 -1.751 39.100 28.959 1.00 15.00 S ATOM 1010 CE MET A 102 -3.113 39.347 27.793 1.00 15.00 C ATOM 0 H MET A 102 -1.187 36.263 25.840 1.00 15.00 H new ATOM 0 HA MET A 102 -0.487 35.024 28.259 1.00 15.00 H new ATOM 0 HB2 MET A 102 -2.873 36.767 27.469 1.00 15.00 H new ATOM 0 HB3 MET A 102 -2.477 36.358 29.127 1.00 15.00 H new ATOM 0 HG2 MET A 102 -0.136 37.324 28.718 1.00 15.00 H new ATOM 0 HG3 MET A 102 -0.702 37.885 27.157 1.00 15.00 H new ATOM 0 HE1 MET A 102 -3.558 40.329 27.956 1.00 15.00 H new ATOM 0 HE2 MET A 102 -2.734 39.285 26.773 1.00 15.00 H new ATOM 0 HE3 MET A 102 -3.868 38.577 27.947 1.00 15.00 H new ATOM 1020 N LYS A 103 -3.195 33.840 26.830 1.00 15.00 N ATOM 1021 CA LYS A 103 -4.188 32.766 26.893 1.00 15.00 C ATOM 1022 C LYS A 103 -3.685 31.459 26.266 1.00 15.00 C ATOM 1023 O LYS A 103 -4.485 30.571 25.974 1.00 15.00 O ATOM 1024 CB LYS A 103 -5.469 33.198 26.171 1.00 15.00 C ATOM 1025 CG LYS A 103 -6.001 34.510 26.759 1.00 15.00 C ATOM 1026 CD LYS A 103 -6.398 34.306 28.222 1.00 15.00 C ATOM 1027 CE LYS A 103 -7.111 35.558 28.735 1.00 15.00 C ATOM 1028 NZ LYS A 103 -7.655 35.298 30.097 1.00 15.00 N ATOM 0 H LYS A 103 -3.228 34.397 25.976 1.00 15.00 H new ATOM 0 HA LYS A 103 -4.383 32.579 27.949 1.00 15.00 H new ATOM 0 HB2 LYS A 103 -5.269 33.324 25.107 1.00 15.00 H new ATOM 0 HB3 LYS A 103 -6.225 32.419 26.263 1.00 15.00 H new ATOM 0 HG2 LYS A 103 -5.239 35.286 26.685 1.00 15.00 H new ATOM 0 HG3 LYS A 103 -6.862 34.853 26.185 1.00 15.00 H new ATOM 0 HD2 LYS A 103 -7.051 33.438 28.315 1.00 15.00 H new ATOM 0 HD3 LYS A 103 -5.513 34.105 28.826 1.00 15.00 H new ATOM 0 HE2 LYS A 103 -6.417 36.398 28.763 1.00 15.00 H new ATOM 0 HE3 LYS A 103 -7.918 35.834 28.056 1.00 15.00 H new ATOM 0 HZ1 LYS A 103 -8.140 36.150 30.446 1.00 15.00 H new ATOM 0 HZ2 LYS A 103 -8.330 34.508 30.056 1.00 15.00 H new ATOM 0 HZ3 LYS A 103 -6.876 35.055 30.741 1.00 15.00 H new ATOM 1042 N ALA A 104 -2.373 31.329 26.055 1.00 15.00 N ATOM 1043 CA ALA A 104 -1.816 30.123 25.449 1.00 15.00 C ATOM 1044 C ALA A 104 -2.250 28.873 26.210 1.00 15.00 C ATOM 1045 O ALA A 104 -2.425 28.900 27.428 1.00 15.00 O ATOM 1046 CB ALA A 104 -0.288 30.208 25.436 1.00 15.00 C ATOM 0 H ALA A 104 -1.682 32.041 26.294 1.00 15.00 H new ATOM 0 HA ALA A 104 -2.191 30.052 24.428 1.00 15.00 H new ATOM 0 HB1 ALA A 104 0.123 29.306 24.983 1.00 15.00 H new ATOM 0 HB2 ALA A 104 0.023 31.078 24.858 1.00 15.00 H new ATOM 0 HB3 ALA A 104 0.080 30.301 26.458 1.00 15.00 H new ATOM 1052 N ALA A 105 -2.418 27.778 25.474 1.00 15.00 N ATOM 1053 CA ALA A 105 -2.849 26.512 26.062 1.00 15.00 C ATOM 1054 C ALA A 105 -1.821 25.411 25.787 1.00 15.00 C ATOM 1055 O ALA A 105 -0.907 25.616 24.986 1.00 15.00 O ATOM 1056 CB ALA A 105 -4.203 26.103 25.477 1.00 15.00 C ATOM 0 H ALA A 105 -2.262 27.741 24.467 1.00 15.00 H new ATOM 0 HA ALA A 105 -2.940 26.646 27.140 1.00 15.00 H new ATOM 0 HB1 ALA A 105 -4.520 25.158 25.919 1.00 15.00 H new ATOM 0 HB2 ALA A 105 -4.942 26.873 25.698 1.00 15.00 H new ATOM 0 HB3 ALA A 105 -4.112 25.986 24.397 1.00 15.00 H new ATOM 1062 N PRO A 106 -1.938 24.261 26.418 1.00 15.00 N ATOM 1063 CA PRO A 106 -0.950 23.156 26.217 1.00 15.00 C ATOM 1064 C PRO A 106 -0.836 22.736 24.753 1.00 15.00 C ATOM 1065 O PRO A 106 -1.815 22.767 24.009 1.00 15.00 O ATOM 1066 CB PRO A 106 -1.477 21.998 27.072 1.00 15.00 C ATOM 1067 CG PRO A 106 -2.411 22.617 28.055 1.00 15.00 C ATOM 1068 CD PRO A 106 -2.989 23.853 27.374 1.00 15.00 C ATOM 0 HA PRO A 106 0.053 23.471 26.504 1.00 15.00 H new ATOM 0 HB2 PRO A 106 -1.989 21.258 26.457 1.00 15.00 H new ATOM 0 HB3 PRO A 106 -0.661 21.482 27.578 1.00 15.00 H new ATOM 0 HG2 PRO A 106 -3.202 21.920 28.333 1.00 15.00 H new ATOM 0 HG3 PRO A 106 -1.888 22.887 28.972 1.00 15.00 H new ATOM 0 HD2 PRO A 106 -3.926 23.626 26.864 1.00 15.00 H new ATOM 0 HD3 PRO A 106 -3.201 24.643 28.095 1.00 15.00 H new ATOM 1076 N GLY A 107 0.369 22.343 24.348 1.00 15.00 N ATOM 1077 CA GLY A 107 0.592 21.856 22.988 1.00 15.00 C ATOM 1078 C GLY A 107 1.254 22.892 22.074 1.00 15.00 C ATOM 1079 O GLY A 107 1.772 22.530 21.017 1.00 15.00 O ATOM 0 H GLY A 107 1.202 22.352 24.937 1.00 15.00 H new ATOM 0 HA2 GLY A 107 1.217 20.964 23.027 1.00 15.00 H new ATOM 0 HA3 GLY A 107 -0.363 21.557 22.555 1.00 15.00 H new ATOM 1083 N GLN A 108 1.244 24.167 22.464 1.00 15.00 N ATOM 1084 CA GLN A 108 1.845 25.208 21.637 1.00 15.00 C ATOM 1085 C GLN A 108 3.334 25.343 21.940 1.00 15.00 C ATOM 1086 O GLN A 108 3.788 24.994 23.028 1.00 15.00 O ATOM 1087 CB GLN A 108 1.134 26.544 21.854 1.00 15.00 C ATOM 1088 CG GLN A 108 -0.300 26.437 21.332 1.00 15.00 C ATOM 1089 CD GLN A 108 -1.014 27.777 21.473 1.00 15.00 C ATOM 1090 OE1 GLN A 108 -1.535 28.089 22.543 1.00 15.00 O ATOM 1091 NE2 GLN A 108 -1.069 28.590 20.454 1.00 15.00 N ATOM 0 H GLN A 108 0.832 24.499 23.336 1.00 15.00 H new ATOM 0 HA GLN A 108 1.731 24.921 20.592 1.00 15.00 H new ATOM 0 HB2 GLN A 108 1.131 26.801 22.913 1.00 15.00 H new ATOM 0 HB3 GLN A 108 1.665 27.342 21.334 1.00 15.00 H new ATOM 0 HG2 GLN A 108 -0.292 26.129 20.286 1.00 15.00 H new ATOM 0 HG3 GLN A 108 -0.840 25.669 21.886 1.00 15.00 H new ATOM 0 HE21 GLN A 108 -0.636 28.328 19.569 1.00 15.00 H new ATOM 0 HE22 GLN A 108 -1.545 29.488 20.543 1.00 15.00 H new ATOM 1100 N GLN A 109 4.093 25.835 20.965 1.00 15.00 N ATOM 1101 CA GLN A 109 5.543 25.944 21.110 1.00 15.00 C ATOM 1102 C GLN A 109 5.989 27.402 21.158 1.00 15.00 C ATOM 1103 O GLN A 109 5.337 28.288 20.604 1.00 15.00 O ATOM 1104 CB GLN A 109 6.231 25.242 19.937 1.00 15.00 C ATOM 1105 CG GLN A 109 5.912 23.746 19.977 1.00 15.00 C ATOM 1106 CD GLN A 109 6.517 23.035 18.767 1.00 15.00 C ATOM 1107 OE1 GLN A 109 6.861 23.671 17.771 1.00 15.00 O ATOM 1108 NE2 GLN A 109 6.665 21.739 18.795 1.00 15.00 N ATOM 0 H GLN A 109 3.731 26.163 20.070 1.00 15.00 H new ATOM 0 HA GLN A 109 5.825 25.468 22.049 1.00 15.00 H new ATOM 0 HB2 GLN A 109 5.893 25.671 18.994 1.00 15.00 H new ATOM 0 HB3 GLN A 109 7.309 25.396 19.989 1.00 15.00 H new ATOM 0 HG2 GLN A 109 6.304 23.309 20.896 1.00 15.00 H new ATOM 0 HG3 GLN A 109 4.832 23.599 19.990 1.00 15.00 H new ATOM 0 HE21 GLN A 109 6.380 21.211 19.620 1.00 15.00 H new ATOM 0 HE22 GLN A 109 7.065 21.254 17.992 1.00 15.00 H new ATOM 1117 N ILE A 110 7.087 27.637 21.869 1.00 15.00 N ATOM 1118 CA ILE A 110 7.710 28.955 21.930 1.00 15.00 C ATOM 1119 C ILE A 110 9.163 28.844 21.474 1.00 15.00 C ATOM 1120 O ILE A 110 9.877 27.930 21.887 1.00 15.00 O ATOM 1121 CB ILE A 110 7.641 29.494 23.365 1.00 15.00 C ATOM 1122 CG1 ILE A 110 6.175 29.588 23.798 1.00 15.00 C ATOM 1123 CG2 ILE A 110 8.281 30.883 23.440 1.00 15.00 C ATOM 1124 CD1 ILE A 110 6.094 29.928 25.288 1.00 15.00 C ATOM 0 H ILE A 110 7.568 26.924 22.417 1.00 15.00 H new ATOM 0 HA ILE A 110 7.180 29.645 21.273 1.00 15.00 H new ATOM 0 HB ILE A 110 8.183 28.818 24.026 1.00 15.00 H new ATOM 0 HG12 ILE A 110 5.662 30.352 23.213 1.00 15.00 H new ATOM 0 HG13 ILE A 110 5.668 28.643 23.603 1.00 15.00 H new ATOM 0 HG21 ILE A 110 8.226 31.254 24.463 1.00 15.00 H new ATOM 0 HG22 ILE A 110 9.325 30.820 23.133 1.00 15.00 H new ATOM 0 HG23 ILE A 110 7.749 31.565 22.777 1.00 15.00 H new ATOM 0 HD11 ILE A 110 5.049 29.994 25.590 1.00 15.00 H new ATOM 0 HD12 ILE A 110 6.591 29.149 25.866 1.00 15.00 H new ATOM 0 HD13 ILE A 110 6.585 30.884 25.470 1.00 15.00 H new ATOM 1136 N ILE A 111 9.602 29.777 20.633 1.00 15.00 N ATOM 1137 CA ILE A 111 10.972 29.750 20.123 1.00 15.00 C ATOM 1138 C ILE A 111 11.804 30.850 20.777 1.00 15.00 C ATOM 1139 O ILE A 111 11.360 31.992 20.898 1.00 15.00 O ATOM 1140 CB ILE A 111 10.982 29.931 18.598 1.00 15.00 C ATOM 1141 CG1 ILE A 111 10.100 28.862 17.944 1.00 15.00 C ATOM 1142 CG2 ILE A 111 12.414 29.787 18.070 1.00 15.00 C ATOM 1143 CD1 ILE A 111 9.977 29.143 16.445 1.00 15.00 C ATOM 0 H ILE A 111 9.036 30.554 20.292 1.00 15.00 H new ATOM 0 HA ILE A 111 11.408 28.781 20.367 1.00 15.00 H new ATOM 0 HB ILE A 111 10.598 30.922 18.356 1.00 15.00 H new ATOM 0 HG12 ILE A 111 10.530 27.873 18.105 1.00 15.00 H new ATOM 0 HG13 ILE A 111 9.113 28.859 18.406 1.00 15.00 H new ATOM 0 HG21 ILE A 111 12.417 29.916 16.988 1.00 15.00 H new ATOM 0 HG22 ILE A 111 13.049 30.546 18.528 1.00 15.00 H new ATOM 0 HG23 ILE A 111 12.796 28.797 18.319 1.00 15.00 H new ATOM 0 HD11 ILE A 111 9.349 28.381 15.982 1.00 15.00 H new ATOM 0 HD12 ILE A 111 9.527 30.124 16.294 1.00 15.00 H new ATOM 0 HD13 ILE A 111 10.967 29.124 15.989 1.00 15.00 H new ATOM 1155 N LEU A 112 13.005 30.488 21.213 1.00 15.00 N ATOM 1156 CA LEU A 112 13.946 31.455 21.770 1.00 15.00 C ATOM 1157 C LEU A 112 15.220 31.488 20.921 1.00 15.00 C ATOM 1158 O LEU A 112 16.128 30.691 21.155 1.00 15.00 O ATOM 1159 CB LEU A 112 14.301 31.064 23.206 1.00 15.00 C ATOM 1160 CG LEU A 112 13.073 31.240 24.101 1.00 15.00 C ATOM 1161 CD1 LEU A 112 13.223 30.370 25.350 1.00 15.00 C ATOM 1162 CD2 LEU A 112 12.951 32.708 24.516 1.00 15.00 C ATOM 0 H LEU A 112 13.352 29.529 21.192 1.00 15.00 H new ATOM 0 HA LEU A 112 13.484 32.442 21.767 1.00 15.00 H new ATOM 0 HB2 LEU A 112 14.643 30.029 23.239 1.00 15.00 H new ATOM 0 HB3 LEU A 112 15.121 31.682 23.570 1.00 15.00 H new ATOM 0 HG LEU A 112 12.179 30.940 23.554 1.00 15.00 H new ATOM 0 HD11 LEU A 112 12.348 30.495 25.988 1.00 15.00 H new ATOM 0 HD12 LEU A 112 13.311 29.324 25.056 1.00 15.00 H new ATOM 0 HD13 LEU A 112 14.117 30.670 25.897 1.00 15.00 H new ATOM 0 HD21 LEU A 112 12.076 32.834 25.154 1.00 15.00 H new ATOM 0 HD22 LEU A 112 13.845 33.007 25.063 1.00 15.00 H new ATOM 0 HD23 LEU A 112 12.845 33.330 23.627 1.00 15.00 H new ATOM 1174 N PRO A 113 15.289 32.330 19.910 1.00 15.00 N ATOM 1175 CA PRO A 113 16.513 32.444 19.068 1.00 15.00 C ATOM 1176 C PRO A 113 17.485 33.492 19.600 1.00 15.00 C ATOM 1177 O PRO A 113 17.234 34.693 19.496 1.00 15.00 O ATOM 1178 CB PRO A 113 15.952 32.859 17.709 1.00 15.00 C ATOM 1179 CG PRO A 113 14.743 33.677 18.023 1.00 15.00 C ATOM 1180 CD PRO A 113 14.240 33.238 19.402 1.00 15.00 C ATOM 0 HA PRO A 113 17.091 31.520 19.043 1.00 15.00 H new ATOM 0 HB2 PRO A 113 16.682 33.435 17.140 1.00 15.00 H new ATOM 0 HB3 PRO A 113 15.694 31.988 17.106 1.00 15.00 H new ATOM 0 HG2 PRO A 113 14.988 34.739 18.024 1.00 15.00 H new ATOM 0 HG3 PRO A 113 13.972 33.528 17.267 1.00 15.00 H new ATOM 0 HD2 PRO A 113 14.101 34.093 20.064 1.00 15.00 H new ATOM 0 HD3 PRO A 113 13.278 32.731 19.330 1.00 15.00 H new