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 -176:sc= 0.268 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 -88:sc= -0.6! USER MOD Single : A 77 SER OG : rot -58:sc= -0.221 USER MOD Single : A 78 LYS NZ :NH3+ -166:sc=-0.00871 (180deg=-0.344) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -1.82 K(o=-1.8,f=-4.3!) USER MOD Single : A 83 ASN : amide:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0435 USER MOD Single : A 89 SER OG : rot -71:sc= 1.2 USER MOD Single : A 91 ASN : amide:sc= -2.48 K(o=-2.5,f=-6.1!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS : no HE2:sc= -2.29 K(o=-2.3,f=-4.9!) USER MOD Single : A 95 TYR OH : rot 137:sc= 0.194 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 139:sc= -0.145 (180deg=-0.945) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -162:sc= -0.0359 (180deg=-0.328) USER MOD Single : A 108 GLN : amide:sc= -0.14 K(o=-0.14,f=-2.6!) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 385 N LEU A 63 16.633 27.459 20.788 1.00 15.00 N ATOM 386 CA LEU A 63 16.179 26.457 21.750 1.00 15.00 C ATOM 387 C LEU A 63 14.656 26.366 21.731 1.00 15.00 C ATOM 388 O LEU A 63 13.969 27.386 21.717 1.00 15.00 O ATOM 389 CB LEU A 63 16.652 26.827 23.159 1.00 15.00 C ATOM 390 CG LEU A 63 18.177 26.973 23.181 1.00 15.00 C ATOM 391 CD1 LEU A 63 18.623 27.430 24.571 1.00 15.00 C ATOM 392 CD2 LEU A 63 18.831 25.626 22.864 1.00 15.00 C ATOM 0 HA LEU A 63 16.601 25.491 21.473 1.00 15.00 H new ATOM 0 HB2 LEU A 63 16.185 27.760 23.475 1.00 15.00 H new ATOM 0 HB3 LEU A 63 16.342 26.060 23.868 1.00 15.00 H new ATOM 0 HG LEU A 63 18.477 27.708 22.434 1.00 15.00 H new ATOM 0 HD11 LEU A 63 19.708 27.535 24.589 1.00 15.00 H new ATOM 0 HD12 LEU A 63 18.162 28.390 24.804 1.00 15.00 H new ATOM 0 HD13 LEU A 63 18.317 26.692 25.312 1.00 15.00 H new ATOM 0 HD21 LEU A 63 19.915 25.735 22.881 1.00 15.00 H new ATOM 0 HD22 LEU A 63 18.529 24.890 23.609 1.00 15.00 H new ATOM 0 HD23 LEU A 63 18.515 25.292 21.876 1.00 15.00 H new ATOM 404 N PHE A 64 14.137 25.142 21.704 1.00 15.00 N ATOM 405 CA PHE A 64 12.692 24.934 21.705 1.00 15.00 C ATOM 406 C PHE A 64 12.174 24.666 23.115 1.00 15.00 C ATOM 407 O PHE A 64 12.727 23.839 23.840 1.00 15.00 O ATOM 408 CB PHE A 64 12.332 23.749 20.807 1.00 15.00 C ATOM 409 CG PHE A 64 12.578 24.002 19.339 1.00 15.00 C ATOM 410 CD1 PHE A 64 11.600 24.640 18.567 1.00 15.00 C ATOM 411 CD2 PHE A 64 13.779 23.591 18.748 1.00 15.00 C ATOM 412 CE1 PHE A 64 11.824 24.870 17.204 1.00 15.00 C ATOM 413 CE2 PHE A 64 14.003 23.821 17.385 1.00 15.00 C ATOM 414 CZ PHE A 64 13.024 24.460 16.614 1.00 15.00 C ATOM 0 H PHE A 64 14.690 24.285 21.681 1.00 15.00 H new ATOM 0 HA PHE A 64 12.225 25.843 21.326 1.00 15.00 H new ATOM 0 HB2 PHE A 64 12.911 22.880 21.119 1.00 15.00 H new ATOM 0 HB3 PHE A 64 11.281 23.501 20.952 1.00 15.00 H new ATOM 0 HD1 PHE A 64 10.673 24.955 19.023 1.00 15.00 H new ATOM 0 HD2 PHE A 64 14.532 23.097 19.343 1.00 15.00 H new ATOM 0 HE1 PHE A 64 11.070 25.364 16.609 1.00 15.00 H new ATOM 0 HE2 PHE A 64 14.930 23.506 16.929 1.00 15.00 H new ATOM 0 HZ PHE A 64 13.196 24.636 15.562 1.00 15.00 H new ATOM 424 N TYR A 65 11.111 25.368 23.500 1.00 15.00 N ATOM 425 CA TYR A 65 10.435 25.093 24.766 1.00 15.00 C ATOM 426 C TYR A 65 8.958 24.816 24.499 1.00 15.00 C ATOM 427 O TYR A 65 8.355 25.448 23.636 1.00 15.00 O ATOM 428 CB TYR A 65 10.573 26.286 25.713 1.00 15.00 C ATOM 429 CG TYR A 65 10.166 25.970 27.132 1.00 15.00 C ATOM 430 CD1 TYR A 65 11.097 25.409 28.013 1.00 15.00 C ATOM 431 CD2 TYR A 65 8.861 26.234 27.568 1.00 15.00 C ATOM 432 CE1 TYR A 65 10.726 25.111 29.330 1.00 15.00 C ATOM 433 CE2 TYR A 65 8.489 25.936 28.884 1.00 15.00 C ATOM 434 CZ TYR A 65 9.422 25.375 29.765 1.00 15.00 C ATOM 435 OH TYR A 65 9.059 25.079 31.064 1.00 15.00 O ATOM 0 H TYR A 65 10.701 26.128 22.957 1.00 15.00 H new ATOM 0 HA TYR A 65 10.894 24.222 25.233 1.00 15.00 H new ATOM 0 HB2 TYR A 65 11.608 26.629 25.707 1.00 15.00 H new ATOM 0 HB3 TYR A 65 9.962 27.109 25.342 1.00 15.00 H new ATOM 0 HD1 TYR A 65 12.103 25.206 27.677 1.00 15.00 H new ATOM 0 HD2 TYR A 65 8.142 26.667 26.889 1.00 15.00 H new ATOM 0 HE1 TYR A 65 11.445 24.678 30.009 1.00 15.00 H new ATOM 0 HE2 TYR A 65 7.483 26.139 29.220 1.00 15.00 H new ATOM 0 HH TYR A 65 8.104 25.261 31.186 1.00 15.00 H new ATOM 445 N THR A 66 8.377 23.871 25.233 1.00 15.00 N ATOM 446 CA THR A 66 6.991 23.470 24.992 1.00 15.00 C ATOM 447 C THR A 66 6.092 23.860 26.162 1.00 15.00 C ATOM 448 O THR A 66 6.492 23.782 27.323 1.00 15.00 O ATOM 449 CB THR A 66 6.919 21.956 24.782 1.00 15.00 C ATOM 450 OG1 THR A 66 7.840 21.578 23.768 1.00 15.00 O ATOM 451 CG2 THR A 66 5.502 21.562 24.357 1.00 15.00 C ATOM 0 H THR A 66 8.838 23.371 25.993 1.00 15.00 H new ATOM 0 HA THR A 66 6.641 23.987 24.099 1.00 15.00 H new ATOM 0 HB THR A 66 7.170 21.448 25.713 1.00 15.00 H new ATOM 0 HG1 THR A 66 7.797 20.608 23.632 1.00 15.00 H new ATOM 0 HG21 THR A 66 5.453 20.483 24.208 1.00 15.00 H new ATOM 0 HG22 THR A 66 4.795 21.853 25.134 1.00 15.00 H new ATOM 0 HG23 THR A 66 5.247 22.069 23.426 1.00 15.00 H new ATOM 459 N LEU A 67 4.872 24.279 25.837 1.00 15.00 N ATOM 460 CA LEU A 67 3.894 24.649 26.853 1.00 15.00 C ATOM 461 C LEU A 67 3.122 23.425 27.332 1.00 15.00 C ATOM 462 O LEU A 67 2.514 22.714 26.533 1.00 15.00 O ATOM 463 CB LEU A 67 2.911 25.667 26.264 1.00 15.00 C ATOM 464 CG LEU A 67 3.638 26.978 25.957 1.00 15.00 C ATOM 465 CD1 LEU A 67 2.703 27.907 25.181 1.00 15.00 C ATOM 466 CD2 LEU A 67 4.049 27.655 27.267 1.00 15.00 C ATOM 0 H LEU A 67 4.538 24.370 24.878 1.00 15.00 H new ATOM 0 HA LEU A 67 4.422 25.084 27.702 1.00 15.00 H new ATOM 0 HB2 LEU A 67 2.463 25.268 25.354 1.00 15.00 H new ATOM 0 HB3 LEU A 67 2.098 25.848 26.967 1.00 15.00 H new ATOM 0 HG LEU A 67 4.526 26.769 25.361 1.00 15.00 H new ATOM 0 HD11 LEU A 67 3.219 28.842 24.961 1.00 15.00 H new ATOM 0 HD12 LEU A 67 2.406 27.428 24.248 1.00 15.00 H new ATOM 0 HD13 LEU A 67 1.816 28.114 25.780 1.00 15.00 H new ATOM 0 HD21 LEU A 67 4.567 28.589 27.047 1.00 15.00 H new ATOM 0 HD22 LEU A 67 3.161 27.864 27.863 1.00 15.00 H new ATOM 0 HD23 LEU A 67 4.713 26.995 27.825 1.00 15.00 H new ATOM 478 N LYS A 68 3.123 23.207 28.645 1.00 15.00 N ATOM 479 CA LYS A 68 2.422 22.069 29.236 1.00 15.00 C ATOM 480 C LYS A 68 1.366 22.547 30.227 1.00 15.00 C ATOM 481 O LYS A 68 1.517 23.592 30.858 1.00 15.00 O ATOM 482 CB LYS A 68 3.421 21.158 29.953 1.00 15.00 C ATOM 483 CG LYS A 68 4.405 20.576 28.936 1.00 15.00 C ATOM 484 CD LYS A 68 5.334 19.582 29.635 1.00 15.00 C ATOM 485 CE LYS A 68 6.395 19.094 28.647 1.00 15.00 C ATOM 486 NZ LYS A 68 7.509 18.445 29.395 1.00 15.00 N ATOM 0 H LYS A 68 3.601 23.803 29.320 1.00 15.00 H new ATOM 0 HA LYS A 68 1.930 21.513 28.438 1.00 15.00 H new ATOM 0 HB2 LYS A 68 3.960 21.721 30.715 1.00 15.00 H new ATOM 0 HB3 LYS A 68 2.893 20.354 30.465 1.00 15.00 H new ATOM 0 HG2 LYS A 68 3.862 20.079 28.132 1.00 15.00 H new ATOM 0 HG3 LYS A 68 4.988 21.376 28.480 1.00 15.00 H new ATOM 0 HD2 LYS A 68 5.811 20.055 30.493 1.00 15.00 H new ATOM 0 HD3 LYS A 68 4.760 18.737 30.015 1.00 15.00 H new ATOM 0 HE2 LYS A 68 5.955 18.387 27.944 1.00 15.00 H new ATOM 0 HE3 LYS A 68 6.775 19.931 28.062 1.00 15.00 H new ATOM 0 HZ1 LYS A 68 8.231 18.113 28.724 1.00 15.00 H new ATOM 0 HZ2 LYS A 68 7.935 19.132 30.049 1.00 15.00 H new ATOM 0 HZ3 LYS A 68 7.140 17.636 29.935 1.00 15.00 H new ATOM 500 N THR A 69 0.305 21.762 30.386 1.00 15.00 N ATOM 501 CA THR A 69 -0.785 22.135 31.286 1.00 15.00 C ATOM 502 C THR A 69 -0.264 22.433 32.689 1.00 15.00 C ATOM 503 O THR A 69 0.560 21.695 33.228 1.00 15.00 O ATOM 504 CB THR A 69 -1.817 21.006 31.351 1.00 15.00 C ATOM 505 OG1 THR A 69 -2.852 21.365 32.254 1.00 15.00 O ATOM 506 CG2 THR A 69 -1.143 19.718 31.830 1.00 15.00 C ATOM 0 H THR A 69 0.175 20.870 29.908 1.00 15.00 H new ATOM 0 HA THR A 69 -1.253 23.038 30.894 1.00 15.00 H new ATOM 0 HB THR A 69 -2.239 20.843 30.359 1.00 15.00 H new ATOM 0 HG1 THR A 69 -3.515 20.644 32.296 1.00 15.00 H new ATOM 0 HG21 THR A 69 -1.880 18.917 31.875 1.00 15.00 H new ATOM 0 HG22 THR A 69 -0.350 19.442 31.135 1.00 15.00 H new ATOM 0 HG23 THR A 69 -0.718 19.877 32.821 1.00 15.00 H new ATOM 514 N GLY A 70 -0.754 23.523 33.274 1.00 15.00 N ATOM 515 CA GLY A 70 -0.335 23.921 34.617 1.00 15.00 C ATOM 516 C GLY A 70 0.632 25.109 34.602 1.00 15.00 C ATOM 517 O GLY A 70 0.740 25.829 35.595 1.00 15.00 O ATOM 0 H GLY A 70 -1.438 24.144 32.843 1.00 15.00 H new ATOM 0 HA2 GLY A 70 -1.214 24.180 35.207 1.00 15.00 H new ATOM 0 HA3 GLY A 70 0.142 23.075 35.111 1.00 15.00 H new ATOM 521 N GLU A 71 1.336 25.320 33.491 1.00 15.00 N ATOM 522 CA GLU A 71 2.287 26.422 33.390 1.00 15.00 C ATOM 523 C GLU A 71 1.730 27.532 32.504 1.00 15.00 C ATOM 524 O GLU A 71 1.032 27.267 31.526 1.00 15.00 O ATOM 525 CB GLU A 71 3.606 25.919 32.803 1.00 15.00 C ATOM 526 CG GLU A 71 4.659 27.031 32.882 1.00 15.00 C ATOM 527 CD GLU A 71 5.978 26.619 32.220 1.00 15.00 C ATOM 528 OE1 GLU A 71 6.061 25.528 31.673 1.00 15.00 O ATOM 529 OE2 GLU A 71 6.902 27.415 32.271 1.00 15.00 O ATOM 0 H GLU A 71 1.265 24.744 32.652 1.00 15.00 H new ATOM 0 HA GLU A 71 2.459 26.820 34.390 1.00 15.00 H new ATOM 0 HB2 GLU A 71 3.948 25.040 33.350 1.00 15.00 H new ATOM 0 HB3 GLU A 71 3.462 25.613 31.767 1.00 15.00 H new ATOM 0 HG2 GLU A 71 4.275 27.929 32.398 1.00 15.00 H new ATOM 0 HG3 GLU A 71 4.841 27.285 33.926 1.00 15.00 H new ATOM 536 N THR A 72 2.045 28.777 32.853 1.00 15.00 N ATOM 537 CA THR A 72 1.597 29.928 32.071 1.00 15.00 C ATOM 538 C THR A 72 2.793 30.632 31.439 1.00 15.00 C ATOM 539 O THR A 72 3.929 30.467 31.879 1.00 15.00 O ATOM 540 CB THR A 72 0.840 30.916 32.963 1.00 15.00 C ATOM 541 OG1 THR A 72 1.724 31.440 33.943 1.00 15.00 O ATOM 542 CG2 THR A 72 -0.331 30.209 33.653 1.00 15.00 C ATOM 0 H THR A 72 2.607 29.015 33.670 1.00 15.00 H new ATOM 0 HA THR A 72 0.931 29.571 31.286 1.00 15.00 H new ATOM 0 HB THR A 72 0.452 31.728 32.349 1.00 15.00 H new ATOM 0 HG1 THR A 72 1.725 30.855 34.729 1.00 15.00 H new ATOM 0 HG21 THR A 72 -0.863 30.920 34.285 1.00 15.00 H new ATOM 0 HG22 THR A 72 -1.012 29.813 32.900 1.00 15.00 H new ATOM 0 HG23 THR A 72 0.048 29.391 34.266 1.00 15.00 H new ATOM 550 N VAL A 73 2.529 31.437 30.413 1.00 15.00 N ATOM 551 CA VAL A 73 3.601 32.133 29.709 1.00 15.00 C ATOM 552 C VAL A 73 4.393 33.004 30.685 1.00 15.00 C ATOM 553 O VAL A 73 5.624 33.006 30.670 1.00 15.00 O ATOM 554 CB VAL A 73 3.015 32.998 28.586 1.00 15.00 C ATOM 555 CG1 VAL A 73 4.138 33.689 27.806 1.00 15.00 C ATOM 556 CG2 VAL A 73 2.211 32.117 27.626 1.00 15.00 C ATOM 0 H VAL A 73 1.592 31.622 30.054 1.00 15.00 H new ATOM 0 HA VAL A 73 4.274 31.395 29.272 1.00 15.00 H new ATOM 0 HB VAL A 73 2.367 33.754 29.030 1.00 15.00 H new ATOM 0 HG11 VAL A 73 3.707 34.299 27.012 1.00 15.00 H new ATOM 0 HG12 VAL A 73 4.712 34.324 28.481 1.00 15.00 H new ATOM 0 HG13 VAL A 73 4.794 32.936 27.369 1.00 15.00 H new ATOM 0 HG21 VAL A 73 1.795 32.733 26.829 1.00 15.00 H new ATOM 0 HG22 VAL A 73 2.864 31.358 27.195 1.00 15.00 H new ATOM 0 HG23 VAL A 73 1.400 31.632 28.170 1.00 15.00 H new ATOM 566 N ALA A 74 3.683 33.715 31.552 1.00 15.00 N ATOM 567 CA ALA A 74 4.338 34.600 32.509 1.00 15.00 C ATOM 568 C ALA A 74 5.256 33.808 33.437 1.00 15.00 C ATOM 569 O ALA A 74 6.365 34.244 33.743 1.00 15.00 O ATOM 570 CB ALA A 74 3.290 35.354 33.331 1.00 15.00 C ATOM 0 H ALA A 74 2.665 33.698 31.613 1.00 15.00 H new ATOM 0 HA ALA A 74 4.942 35.318 31.954 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.790 36.012 34.042 1.00 15.00 H new ATOM 0 HB2 ALA A 74 2.664 35.948 32.665 1.00 15.00 H new ATOM 0 HB3 ALA A 74 2.669 34.640 33.872 1.00 15.00 H new ATOM 576 N ASP A 75 4.806 32.630 33.860 1.00 15.00 N ATOM 577 CA ASP A 75 5.593 31.815 34.778 1.00 15.00 C ATOM 578 C ASP A 75 6.935 31.445 34.152 1.00 15.00 C ATOM 579 O ASP A 75 7.983 31.562 34.787 1.00 15.00 O ATOM 580 CB ASP A 75 4.828 30.537 35.139 1.00 15.00 C ATOM 581 CG ASP A 75 3.560 30.869 35.927 1.00 15.00 C ATOM 582 OD1 ASP A 75 3.538 31.889 36.598 1.00 15.00 O ATOM 583 OD2 ASP A 75 2.624 30.089 35.847 1.00 15.00 O ATOM 0 H ASP A 75 3.912 32.223 33.586 1.00 15.00 H new ATOM 0 HA ASP A 75 5.772 32.397 35.682 1.00 15.00 H new ATOM 0 HB2 ASP A 75 4.566 29.995 34.230 1.00 15.00 H new ATOM 0 HB3 ASP A 75 5.467 29.879 35.729 1.00 15.00 H new ATOM 588 N LEU A 76 6.898 31.027 32.892 1.00 15.00 N ATOM 589 CA LEU A 76 8.121 30.647 32.193 1.00 15.00 C ATOM 590 C LEU A 76 9.084 31.828 32.132 1.00 15.00 C ATOM 591 O LEU A 76 10.282 31.680 32.371 1.00 15.00 O ATOM 592 CB LEU A 76 7.785 30.177 30.774 1.00 15.00 C ATOM 593 CG LEU A 76 9.053 29.675 30.077 1.00 15.00 C ATOM 594 CD1 LEU A 76 9.511 28.367 30.723 1.00 15.00 C ATOM 595 CD2 LEU A 76 8.756 29.432 28.595 1.00 15.00 C ATOM 0 H LEU A 76 6.045 30.943 32.338 1.00 15.00 H new ATOM 0 HA LEU A 76 8.598 29.832 32.738 1.00 15.00 H new ATOM 0 HB2 LEU A 76 7.041 29.381 30.812 1.00 15.00 H new ATOM 0 HB3 LEU A 76 7.347 30.996 30.204 1.00 15.00 H new ATOM 0 HG LEU A 76 9.840 30.423 30.176 1.00 15.00 H new ATOM 0 HD11 LEU A 76 10.413 28.012 30.225 1.00 15.00 H new ATOM 0 HD12 LEU A 76 9.722 28.537 31.779 1.00 15.00 H new ATOM 0 HD13 LEU A 76 8.725 27.618 30.626 1.00 15.00 H new ATOM 0 HD21 LEU A 76 9.657 29.075 28.097 1.00 15.00 H new ATOM 0 HD22 LEU A 76 7.968 28.685 28.500 1.00 15.00 H new ATOM 0 HD23 LEU A 76 8.431 30.363 28.132 1.00 15.00 H new ATOM 607 N SER A 77 8.550 33.006 31.835 1.00 15.00 N ATOM 608 CA SER A 77 9.377 34.202 31.721 1.00 15.00 C ATOM 609 C SER A 77 10.111 34.488 33.026 1.00 15.00 C ATOM 610 O SER A 77 11.278 34.879 33.015 1.00 15.00 O ATOM 611 CB SER A 77 8.503 35.400 31.352 1.00 15.00 C ATOM 612 OG SER A 77 9.337 36.503 31.025 1.00 15.00 O ATOM 0 H SER A 77 7.555 33.159 31.670 1.00 15.00 H new ATOM 0 HA SER A 77 10.118 34.031 30.940 1.00 15.00 H new ATOM 0 HB2 SER A 77 7.861 35.151 30.507 1.00 15.00 H new ATOM 0 HB3 SER A 77 7.848 35.658 32.184 1.00 15.00 H new ATOM 0 HG SER A 77 9.921 36.708 31.785 1.00 15.00 H new ATOM 618 N LYS A 78 9.417 34.308 34.144 1.00 15.00 N ATOM 619 CA LYS A 78 10.008 34.572 35.452 1.00 15.00 C ATOM 620 C LYS A 78 11.188 33.641 35.717 1.00 15.00 C ATOM 621 O LYS A 78 12.251 34.079 36.154 1.00 15.00 O ATOM 622 CB LYS A 78 8.952 34.385 36.544 1.00 15.00 C ATOM 623 CG LYS A 78 9.528 34.810 37.897 1.00 15.00 C ATOM 624 CD LYS A 78 8.500 34.542 38.998 1.00 15.00 C ATOM 625 CE LYS A 78 9.011 35.106 40.324 1.00 15.00 C ATOM 626 NZ LYS A 78 10.269 34.407 40.710 1.00 15.00 N ATOM 0 H LYS A 78 8.451 33.983 34.172 1.00 15.00 H new ATOM 0 HA LYS A 78 10.370 35.600 35.462 1.00 15.00 H new ATOM 0 HB2 LYS A 78 8.067 34.977 36.313 1.00 15.00 H new ATOM 0 HB3 LYS A 78 8.636 33.342 36.584 1.00 15.00 H new ATOM 0 HG2 LYS A 78 10.447 34.260 38.102 1.00 15.00 H new ATOM 0 HG3 LYS A 78 9.787 35.869 37.877 1.00 15.00 H new ATOM 0 HD2 LYS A 78 7.546 35.002 38.739 1.00 15.00 H new ATOM 0 HD3 LYS A 78 8.323 33.471 39.091 1.00 15.00 H new ATOM 0 HE2 LYS A 78 9.192 36.177 40.230 1.00 15.00 H new ATOM 0 HE3 LYS A 78 8.257 34.977 41.101 1.00 15.00 H new ATOM 0 HZ1 LYS A 78 10.489 34.612 41.706 1.00 15.00 H new ATOM 0 HZ2 LYS A 78 10.148 33.381 40.586 1.00 15.00 H new ATOM 0 HZ3 LYS A 78 11.049 34.739 40.108 1.00 15.00 H new ATOM 640 N SER A 79 10.992 32.354 35.448 1.00 15.00 N ATOM 641 CA SER A 79 12.038 31.366 35.693 1.00 15.00 C ATOM 642 C SER A 79 13.285 31.682 34.874 1.00 15.00 C ATOM 643 O SER A 79 14.408 31.589 35.369 1.00 15.00 O ATOM 644 CB SER A 79 11.530 29.970 35.333 1.00 15.00 C ATOM 645 OG SER A 79 12.487 29.004 35.746 1.00 15.00 O ATOM 0 H SER A 79 10.127 31.973 35.064 1.00 15.00 H new ATOM 0 HA SER A 79 12.298 31.399 36.751 1.00 15.00 H new ATOM 0 HB2 SER A 79 10.573 29.782 35.819 1.00 15.00 H new ATOM 0 HB3 SER A 79 11.362 29.897 34.259 1.00 15.00 H new ATOM 0 HG SER A 79 12.165 28.107 35.519 1.00 15.00 H new ATOM 651 N GLN A 80 13.073 32.057 33.618 1.00 15.00 N ATOM 652 CA GLN A 80 14.181 32.403 32.727 1.00 15.00 C ATOM 653 C GLN A 80 14.777 33.785 33.024 1.00 15.00 C ATOM 654 O GLN A 80 15.867 34.097 32.545 1.00 15.00 O ATOM 655 CB GLN A 80 13.700 32.365 31.276 1.00 15.00 C ATOM 656 CG GLN A 80 13.293 30.935 30.909 1.00 15.00 C ATOM 657 CD GLN A 80 12.726 30.885 29.492 1.00 15.00 C ATOM 658 OE1 GLN A 80 12.336 31.911 28.932 1.00 15.00 O ATOM 659 NE2 GLN A 80 12.657 29.738 28.873 1.00 15.00 N ATOM 0 H GLN A 80 12.149 32.130 33.192 1.00 15.00 H new ATOM 0 HA GLN A 80 14.967 31.667 32.895 1.00 15.00 H new ATOM 0 HB2 GLN A 80 12.854 33.040 31.144 1.00 15.00 H new ATOM 0 HB3 GLN A 80 14.491 32.711 30.611 1.00 15.00 H new ATOM 0 HG2 GLN A 80 14.157 30.274 30.984 1.00 15.00 H new ATOM 0 HG3 GLN A 80 12.549 30.570 31.617 1.00 15.00 H new ATOM 0 HE21 GLN A 80 12.980 28.888 29.336 1.00 15.00 H new ATOM 0 HE22 GLN A 80 12.280 29.691 27.926 1.00 15.00 H new ATOM 668 N ASP A 81 14.075 34.614 33.796 1.00 15.00 N ATOM 669 CA ASP A 81 14.543 35.967 34.084 1.00 15.00 C ATOM 670 C ASP A 81 14.628 36.785 32.797 1.00 15.00 C ATOM 671 O ASP A 81 15.584 37.530 32.571 1.00 15.00 O ATOM 672 CB ASP A 81 15.911 35.917 34.773 1.00 15.00 C ATOM 673 CG ASP A 81 16.255 37.277 35.373 1.00 15.00 C ATOM 674 OD1 ASP A 81 15.343 37.975 35.785 1.00 15.00 O ATOM 675 OD2 ASP A 81 17.430 37.603 35.411 1.00 15.00 O ATOM 0 H ASP A 81 13.184 34.373 34.231 1.00 15.00 H new ATOM 0 HA ASP A 81 13.830 36.448 34.754 1.00 15.00 H new ATOM 0 HB2 ASP A 81 15.903 35.159 35.556 1.00 15.00 H new ATOM 0 HB3 ASP A 81 16.677 35.625 34.054 1.00 15.00 H new ATOM 680 N ILE A 82 13.607 36.645 31.955 1.00 15.00 N ATOM 681 CA ILE A 82 13.539 37.381 30.695 1.00 15.00 C ATOM 682 C ILE A 82 12.344 38.330 30.720 1.00 15.00 C ATOM 683 O ILE A 82 11.307 38.015 31.302 1.00 15.00 O ATOM 684 CB ILE A 82 13.407 36.406 29.518 1.00 15.00 C ATOM 685 CG1 ILE A 82 14.579 35.419 29.531 1.00 15.00 C ATOM 686 CG2 ILE A 82 13.423 37.180 28.197 1.00 15.00 C ATOM 687 CD1 ILE A 82 14.359 34.344 28.465 1.00 15.00 C ATOM 0 H ILE A 82 12.813 36.027 32.123 1.00 15.00 H new ATOM 0 HA ILE A 82 14.456 37.958 30.571 1.00 15.00 H new ATOM 0 HB ILE A 82 12.466 35.863 29.613 1.00 15.00 H new ATOM 0 HG12 ILE A 82 15.514 35.947 29.342 1.00 15.00 H new ATOM 0 HG13 ILE A 82 14.667 34.957 30.514 1.00 15.00 H new ATOM 0 HG21 ILE A 82 13.329 36.482 27.365 1.00 15.00 H new ATOM 0 HG22 ILE A 82 12.590 37.883 28.177 1.00 15.00 H new ATOM 0 HG23 ILE A 82 14.361 37.727 28.107 1.00 15.00 H new ATOM 0 HD11 ILE A 82 15.194 33.644 28.477 1.00 15.00 H new ATOM 0 HD12 ILE A 82 13.433 33.808 28.674 1.00 15.00 H new ATOM 0 HD13 ILE A 82 14.293 34.813 27.483 1.00 15.00 H new ATOM 699 N ASN A 83 12.499 39.493 30.097 1.00 15.00 N ATOM 700 CA ASN A 83 11.423 40.478 30.069 1.00 15.00 C ATOM 701 C ASN A 83 10.320 40.040 29.110 1.00 15.00 C ATOM 702 O ASN A 83 10.589 39.604 27.990 1.00 15.00 O ATOM 703 CB ASN A 83 11.970 41.839 29.636 1.00 15.00 C ATOM 704 CG ASN A 83 13.068 42.289 30.594 1.00 15.00 C ATOM 705 OD1 ASN A 83 14.128 42.735 30.157 1.00 15.00 O ATOM 706 ND2 ASN A 83 12.875 42.200 31.881 1.00 15.00 N ATOM 0 H ASN A 83 13.349 39.775 29.609 1.00 15.00 H new ATOM 0 HA ASN A 83 11.005 40.559 31.072 1.00 15.00 H new ATOM 0 HB2 ASN A 83 12.364 41.776 28.622 1.00 15.00 H new ATOM 0 HB3 ASN A 83 11.166 42.575 29.620 1.00 15.00 H new ATOM 0 HD21 ASN A 83 13.604 42.501 32.528 1.00 15.00 H new ATOM 0 HD22 ASN A 83 11.995 41.830 32.240 1.00 15.00 H new ATOM 713 N LEU A 84 9.071 40.174 29.548 1.00 15.00 N ATOM 714 CA LEU A 84 7.938 39.785 28.715 1.00 15.00 C ATOM 715 C LEU A 84 7.966 40.529 27.380 1.00 15.00 C ATOM 716 O LEU A 84 7.656 39.953 26.337 1.00 15.00 O ATOM 717 CB LEU A 84 6.622 40.081 29.441 1.00 15.00 C ATOM 718 CG LEU A 84 6.558 39.292 30.752 1.00 15.00 C ATOM 719 CD1 LEU A 84 5.303 39.695 31.529 1.00 15.00 C ATOM 720 CD2 LEU A 84 6.499 37.793 30.448 1.00 15.00 C ATOM 0 H LEU A 84 8.820 40.545 30.464 1.00 15.00 H new ATOM 0 HA LEU A 84 8.011 38.715 28.521 1.00 15.00 H new ATOM 0 HB2 LEU A 84 6.542 41.149 29.645 1.00 15.00 H new ATOM 0 HB3 LEU A 84 5.778 39.814 28.805 1.00 15.00 H new ATOM 0 HG LEU A 84 7.445 39.510 31.346 1.00 15.00 H new ATOM 0 HD11 LEU A 84 5.257 39.134 32.462 1.00 15.00 H new ATOM 0 HD12 LEU A 84 5.338 40.762 31.749 1.00 15.00 H new ATOM 0 HD13 LEU A 84 4.419 39.477 30.930 1.00 15.00 H new ATOM 0 HD21 LEU A 84 6.454 37.234 31.382 1.00 15.00 H new ATOM 0 HD22 LEU A 84 5.612 37.577 29.852 1.00 15.00 H new ATOM 0 HD23 LEU A 84 7.389 37.499 29.892 1.00 15.00 H new ATOM 732 N SER A 85 8.362 41.799 27.410 1.00 15.00 N ATOM 733 CA SER A 85 8.420 42.595 26.190 1.00 15.00 C ATOM 734 C SER A 85 9.368 41.954 25.181 1.00 15.00 C ATOM 735 O SER A 85 9.054 41.853 23.996 1.00 15.00 O ATOM 736 CB SER A 85 8.894 44.011 26.512 1.00 15.00 C ATOM 737 OG SER A 85 8.763 44.823 25.352 1.00 15.00 O ATOM 0 H SER A 85 8.644 42.293 28.256 1.00 15.00 H new ATOM 0 HA SER A 85 7.421 42.639 25.757 1.00 15.00 H new ATOM 0 HB2 SER A 85 8.306 44.427 27.330 1.00 15.00 H new ATOM 0 HB3 SER A 85 9.932 43.993 26.843 1.00 15.00 H new ATOM 0 HG SER A 85 9.065 45.733 25.554 1.00 15.00 H new ATOM 743 N THR A 86 10.520 41.498 25.661 1.00 15.00 N ATOM 744 CA THR A 86 11.509 40.882 24.783 1.00 15.00 C ATOM 745 C THR A 86 10.939 39.632 24.120 1.00 15.00 C ATOM 746 O THR A 86 11.079 39.431 22.912 1.00 15.00 O ATOM 747 CB THR A 86 12.760 40.515 25.584 1.00 15.00 C ATOM 748 OG1 THR A 86 13.228 41.662 26.279 1.00 15.00 O ATOM 749 CG2 THR A 86 13.850 40.011 24.636 1.00 15.00 C ATOM 0 H THR A 86 10.791 41.542 26.643 1.00 15.00 H new ATOM 0 HA THR A 86 11.772 41.599 24.006 1.00 15.00 H new ATOM 0 HB THR A 86 12.515 39.730 26.299 1.00 15.00 H new ATOM 0 HG1 THR A 86 14.028 41.428 26.794 1.00 15.00 H new ATOM 0 HG21 THR A 86 14.739 39.751 25.210 1.00 15.00 H new ATOM 0 HG22 THR A 86 13.491 39.130 24.104 1.00 15.00 H new ATOM 0 HG23 THR A 86 14.098 40.793 23.918 1.00 15.00 H new ATOM 757 N ILE A 87 10.260 38.805 24.909 1.00 15.00 N ATOM 758 CA ILE A 87 9.703 37.559 24.395 1.00 15.00 C ATOM 759 C ILE A 87 8.750 37.851 23.238 1.00 15.00 C ATOM 760 O ILE A 87 8.805 37.205 22.194 1.00 15.00 O ATOM 761 CB ILE A 87 8.963 36.812 25.513 1.00 15.00 C ATOM 762 CG1 ILE A 87 9.926 36.545 26.674 1.00 15.00 C ATOM 763 CG2 ILE A 87 8.435 35.473 24.989 1.00 15.00 C ATOM 764 CD1 ILE A 87 9.153 35.961 27.859 1.00 15.00 C ATOM 0 H ILE A 87 10.083 38.973 25.899 1.00 15.00 H new ATOM 0 HA ILE A 87 10.517 36.931 24.032 1.00 15.00 H new ATOM 0 HB ILE A 87 8.128 37.424 25.854 1.00 15.00 H new ATOM 0 HG12 ILE A 87 10.707 35.853 26.360 1.00 15.00 H new ATOM 0 HG13 ILE A 87 10.420 37.470 26.970 1.00 15.00 H new ATOM 0 HG21 ILE A 87 7.911 34.950 25.789 1.00 15.00 H new ATOM 0 HG22 ILE A 87 7.748 35.651 24.162 1.00 15.00 H new ATOM 0 HG23 ILE A 87 9.269 34.863 24.642 1.00 15.00 H new ATOM 0 HD11 ILE A 87 9.840 35.772 28.684 1.00 15.00 H new ATOM 0 HD12 ILE A 87 8.388 36.669 28.179 1.00 15.00 H new ATOM 0 HD13 ILE A 87 8.680 35.026 27.559 1.00 15.00 H new ATOM 776 N TRP A 88 7.890 38.844 23.429 1.00 15.00 N ATOM 777 CA TRP A 88 6.937 39.223 22.392 1.00 15.00 C ATOM 778 C TRP A 88 7.652 39.648 21.111 1.00 15.00 C ATOM 779 O TRP A 88 7.311 39.188 20.023 1.00 15.00 O ATOM 780 CB TRP A 88 6.055 40.371 22.885 1.00 15.00 C ATOM 781 CG TRP A 88 5.010 40.783 21.896 1.00 15.00 C ATOM 782 CD1 TRP A 88 3.889 40.082 21.614 1.00 15.00 C ATOM 783 CD2 TRP A 88 4.972 41.973 21.056 1.00 15.00 C ATOM 784 NE1 TRP A 88 3.162 40.765 20.656 1.00 15.00 N ATOM 785 CE2 TRP A 88 3.788 41.936 20.279 1.00 15.00 C ATOM 786 CE3 TRP A 88 5.837 43.068 20.893 1.00 15.00 C ATOM 787 CZ2 TRP A 88 3.476 42.953 19.372 1.00 15.00 C ATOM 788 CZ3 TRP A 88 5.528 44.091 19.985 1.00 15.00 C ATOM 789 CH2 TRP A 88 4.351 44.035 19.225 1.00 15.00 C ATOM 0 H TRP A 88 7.832 39.397 24.284 1.00 15.00 H new ATOM 0 HA TRP A 88 6.320 38.352 22.172 1.00 15.00 H new ATOM 0 HB2 TRP A 88 5.569 40.073 23.814 1.00 15.00 H new ATOM 0 HB3 TRP A 88 6.685 41.230 23.116 1.00 15.00 H new ATOM 0 HD1 TRP A 88 3.607 39.141 22.064 1.00 15.00 H new ATOM 0 HE1 TRP A 88 2.272 40.443 20.275 1.00 15.00 H new ATOM 0 HE3 TRP A 88 6.747 43.122 21.472 1.00 15.00 H new ATOM 0 HZ2 TRP A 88 2.568 42.904 18.790 1.00 15.00 H new ATOM 0 HZ3 TRP A 88 6.201 44.928 19.870 1.00 15.00 H new ATOM 0 HH2 TRP A 88 4.120 44.826 18.527 1.00 15.00 H new ATOM 800 N SER A 89 8.667 40.498 21.242 1.00 15.00 N ATOM 801 CA SER A 89 9.353 41.034 20.069 1.00 15.00 C ATOM 802 C SER A 89 9.863 39.916 19.162 1.00 15.00 C ATOM 803 O SER A 89 9.789 40.026 17.938 1.00 15.00 O ATOM 804 CB SER A 89 10.529 41.906 20.509 1.00 15.00 C ATOM 805 OG SER A 89 11.532 41.083 21.087 1.00 15.00 O ATOM 0 H SER A 89 9.030 40.827 22.137 1.00 15.00 H new ATOM 0 HA SER A 89 8.636 41.632 19.507 1.00 15.00 H new ATOM 0 HB2 SER A 89 10.935 42.448 19.655 1.00 15.00 H new ATOM 0 HB3 SER A 89 10.194 42.652 21.230 1.00 15.00 H new ATOM 0 HG SER A 89 11.222 40.750 21.955 1.00 15.00 H new ATOM 811 N LEU A 90 10.376 38.846 19.761 1.00 15.00 N ATOM 812 CA LEU A 90 10.882 37.722 18.978 1.00 15.00 C ATOM 813 C LEU A 90 9.745 36.907 18.363 1.00 15.00 C ATOM 814 O LEU A 90 9.707 36.695 17.150 1.00 15.00 O ATOM 815 CB LEU A 90 11.733 36.811 19.868 1.00 15.00 C ATOM 816 CG LEU A 90 12.888 37.607 20.482 1.00 15.00 C ATOM 817 CD1 LEU A 90 13.667 36.711 21.446 1.00 15.00 C ATOM 818 CD2 LEU A 90 13.830 38.091 19.376 1.00 15.00 C ATOM 0 H LEU A 90 10.452 38.733 20.772 1.00 15.00 H new ATOM 0 HA LEU A 90 11.488 38.128 18.168 1.00 15.00 H new ATOM 0 HB2 LEU A 90 11.116 36.382 20.658 1.00 15.00 H new ATOM 0 HB3 LEU A 90 12.125 35.980 19.282 1.00 15.00 H new ATOM 0 HG LEU A 90 12.485 38.466 21.018 1.00 15.00 H new ATOM 0 HD11 LEU A 90 14.490 37.276 21.884 1.00 15.00 H new ATOM 0 HD12 LEU A 90 13.003 36.364 22.238 1.00 15.00 H new ATOM 0 HD13 LEU A 90 14.064 35.853 20.904 1.00 15.00 H new ATOM 0 HD21 LEU A 90 14.650 38.657 19.818 1.00 15.00 H new ATOM 0 HD22 LEU A 90 14.231 37.232 18.838 1.00 15.00 H new ATOM 0 HD23 LEU A 90 13.281 38.729 18.684 1.00 15.00 H new ATOM 830 N ASN A 91 8.801 36.476 19.194 1.00 15.00 N ATOM 831 CA ASN A 91 7.726 35.596 18.728 1.00 15.00 C ATOM 832 C ASN A 91 6.525 36.351 18.145 1.00 15.00 C ATOM 833 O ASN A 91 5.497 35.739 17.855 1.00 15.00 O ATOM 834 CB ASN A 91 7.253 34.711 19.883 1.00 15.00 C ATOM 835 CG ASN A 91 8.387 33.795 20.332 1.00 15.00 C ATOM 836 OD1 ASN A 91 8.304 32.575 20.180 1.00 15.00 O ATOM 837 ND2 ASN A 91 9.454 34.309 20.879 1.00 15.00 N ATOM 0 H ASN A 91 8.755 36.717 20.184 1.00 15.00 H new ATOM 0 HA ASN A 91 8.144 34.996 17.920 1.00 15.00 H new ATOM 0 HB2 ASN A 91 6.923 35.331 20.716 1.00 15.00 H new ATOM 0 HB3 ASN A 91 6.395 34.116 19.569 1.00 15.00 H new ATOM 0 HD21 ASN A 91 10.216 33.701 21.179 1.00 15.00 H new ATOM 0 HD22 ASN A 91 9.526 35.318 21.006 1.00 15.00 H new ATOM 844 N LYS A 92 6.636 37.667 17.972 1.00 15.00 N ATOM 845 CA LYS A 92 5.557 38.451 17.380 1.00 15.00 C ATOM 846 C LYS A 92 5.079 37.860 16.049 1.00 15.00 C ATOM 847 O LYS A 92 3.918 38.033 15.677 1.00 15.00 O ATOM 848 CB LYS A 92 6.011 39.907 17.205 1.00 15.00 C ATOM 849 CG LYS A 92 7.107 40.017 16.137 1.00 15.00 C ATOM 850 CD LYS A 92 7.623 41.456 16.080 1.00 15.00 C ATOM 851 CE LYS A 92 8.474 41.645 14.822 1.00 15.00 C ATOM 852 NZ LYS A 92 9.286 42.888 14.955 1.00 15.00 N ATOM 0 H LYS A 92 7.459 38.210 18.233 1.00 15.00 H new ATOM 0 HA LYS A 92 4.705 38.421 18.059 1.00 15.00 H new ATOM 0 HB2 LYS A 92 5.159 40.526 16.922 1.00 15.00 H new ATOM 0 HB3 LYS A 92 6.383 40.292 18.154 1.00 15.00 H new ATOM 0 HG2 LYS A 92 7.925 39.335 16.369 1.00 15.00 H new ATOM 0 HG3 LYS A 92 6.713 39.722 15.165 1.00 15.00 H new ATOM 0 HD2 LYS A 92 6.786 42.154 16.073 1.00 15.00 H new ATOM 0 HD3 LYS A 92 8.215 41.677 16.968 1.00 15.00 H new ATOM 0 HE2 LYS A 92 9.127 40.784 14.679 1.00 15.00 H new ATOM 0 HE3 LYS A 92 7.833 41.708 13.942 1.00 15.00 H new ATOM 0 HZ1 LYS A 92 9.865 43.018 14.101 1.00 15.00 H new ATOM 0 HZ2 LYS A 92 8.653 43.705 15.072 1.00 15.00 H new ATOM 0 HZ3 LYS A 92 9.907 42.810 15.785 1.00 15.00 H new ATOM 866 N HIS A 93 5.973 37.188 15.325 1.00 15.00 N ATOM 867 CA HIS A 93 5.599 36.581 14.052 1.00 15.00 C ATOM 868 C HIS A 93 4.758 35.320 14.264 1.00 15.00 C ATOM 869 O HIS A 93 3.844 35.041 13.489 1.00 15.00 O ATOM 870 CB HIS A 93 6.851 36.269 13.223 1.00 15.00 C ATOM 871 CG HIS A 93 7.669 35.101 13.715 1.00 15.00 C ATOM 872 ND1 HIS A 93 8.617 35.218 14.721 1.00 15.00 N ATOM 873 CD2 HIS A 93 7.706 33.784 13.322 1.00 15.00 C ATOM 874 CE1 HIS A 93 9.179 34.009 14.893 1.00 15.00 C ATOM 875 NE2 HIS A 93 8.660 33.098 14.067 1.00 15.00 N ATOM 0 H HIS A 93 6.947 37.052 15.594 1.00 15.00 H new ATOM 0 HA HIS A 93 4.987 37.296 13.502 1.00 15.00 H new ATOM 0 HB2 HIS A 93 6.547 36.073 12.195 1.00 15.00 H new ATOM 0 HB3 HIS A 93 7.486 37.155 13.204 1.00 15.00 H new ATOM 0 HD1 HIS A 93 8.846 36.068 15.237 1.00 15.00 H new ATOM 0 HD2 HIS A 93 7.088 33.348 12.551 1.00 15.00 H new ATOM 0 HE1 HIS A 93 9.957 33.800 15.613 1.00 15.00 H new ATOM 883 N LEU A 94 5.067 34.561 15.313 1.00 15.00 N ATOM 884 CA LEU A 94 4.341 33.325 15.592 1.00 15.00 C ATOM 885 C LEU A 94 2.902 33.609 16.017 1.00 15.00 C ATOM 886 O LEU A 94 1.974 32.923 15.588 1.00 15.00 O ATOM 887 CB LEU A 94 5.043 32.543 16.705 1.00 15.00 C ATOM 888 CG LEU A 94 6.487 32.236 16.299 1.00 15.00 C ATOM 889 CD1 LEU A 94 7.206 31.550 17.462 1.00 15.00 C ATOM 890 CD2 LEU A 94 6.496 31.306 15.084 1.00 15.00 C ATOM 0 H LEU A 94 5.809 34.778 15.979 1.00 15.00 H new ATOM 0 HA LEU A 94 4.326 32.737 14.674 1.00 15.00 H new ATOM 0 HB2 LEU A 94 5.031 33.120 17.629 1.00 15.00 H new ATOM 0 HB3 LEU A 94 4.507 31.615 16.902 1.00 15.00 H new ATOM 0 HG LEU A 94 6.995 33.167 16.047 1.00 15.00 H new ATOM 0 HD11 LEU A 94 8.234 31.330 17.175 1.00 15.00 H new ATOM 0 HD12 LEU A 94 7.204 32.209 18.330 1.00 15.00 H new ATOM 0 HD13 LEU A 94 6.692 30.621 17.710 1.00 15.00 H new ATOM 0 HD21 LEU A 94 7.526 31.090 14.799 1.00 15.00 H new ATOM 0 HD22 LEU A 94 5.986 30.376 15.334 1.00 15.00 H new ATOM 0 HD23 LEU A 94 5.983 31.789 14.252 1.00 15.00 H new ATOM 902 N TYR A 95 2.720 34.622 16.861 1.00 15.00 N ATOM 903 CA TYR A 95 1.393 34.960 17.372 1.00 15.00 C ATOM 904 C TYR A 95 0.938 36.319 16.850 1.00 15.00 C ATOM 905 O TYR A 95 1.748 37.219 16.638 1.00 15.00 O ATOM 906 CB TYR A 95 1.419 34.979 18.901 1.00 15.00 C ATOM 907 CG TYR A 95 1.800 33.650 19.509 1.00 15.00 C ATOM 908 CD1 TYR A 95 0.839 32.641 19.641 1.00 15.00 C ATOM 909 CD2 TYR A 95 3.114 33.425 19.939 1.00 15.00 C ATOM 910 CE1 TYR A 95 1.190 31.409 20.204 1.00 15.00 C ATOM 911 CE2 TYR A 95 3.465 32.191 20.501 1.00 15.00 C ATOM 912 CZ TYR A 95 2.502 31.182 20.634 1.00 15.00 C ATOM 913 OH TYR A 95 2.843 29.967 21.191 1.00 15.00 O ATOM 0 H TYR A 95 3.471 35.221 17.205 1.00 15.00 H new ATOM 0 HA TYR A 95 0.688 34.204 17.026 1.00 15.00 H new ATOM 0 HB2 TYR A 95 2.124 35.739 19.236 1.00 15.00 H new ATOM 0 HB3 TYR A 95 0.436 35.271 19.271 1.00 15.00 H new ATOM 0 HD1 TYR A 95 -0.174 32.813 19.308 1.00 15.00 H new ATOM 0 HD2 TYR A 95 3.856 34.203 19.837 1.00 15.00 H new ATOM 0 HE1 TYR A 95 0.447 30.632 20.307 1.00 15.00 H new ATOM 0 HE2 TYR A 95 4.478 32.017 20.832 1.00 15.00 H new ATOM 0 HH TYR A 95 3.710 29.677 20.837 1.00 15.00 H new ATOM 923 N SER A 96 -0.369 36.461 16.658 1.00 15.00 N ATOM 924 CA SER A 96 -0.923 37.682 16.082 1.00 15.00 C ATOM 925 C SER A 96 -0.799 38.864 17.038 1.00 15.00 C ATOM 926 O SER A 96 -0.457 39.972 16.622 1.00 15.00 O ATOM 927 CB SER A 96 -2.395 37.467 15.731 1.00 15.00 C ATOM 928 OG SER A 96 -2.512 36.336 14.879 1.00 15.00 O ATOM 0 H SER A 96 -1.062 35.750 16.891 1.00 15.00 H new ATOM 0 HA SER A 96 -0.352 37.912 15.182 1.00 15.00 H new ATOM 0 HB2 SER A 96 -2.979 37.315 16.639 1.00 15.00 H new ATOM 0 HB3 SER A 96 -2.797 38.352 15.238 1.00 15.00 H new ATOM 0 HG SER A 96 -3.455 36.193 14.653 1.00 15.00 H new ATOM 934 N SER A 97 -1.073 38.627 18.318 1.00 15.00 N ATOM 935 CA SER A 97 -1.068 39.710 19.296 1.00 15.00 C ATOM 936 C SER A 97 -0.760 39.192 20.697 1.00 15.00 C ATOM 937 O SER A 97 -0.732 37.984 20.935 1.00 15.00 O ATOM 938 CB SER A 97 -2.427 40.411 19.302 1.00 15.00 C ATOM 939 OG SER A 97 -3.398 39.541 19.869 1.00 15.00 O ATOM 0 H SER A 97 -1.298 37.708 18.698 1.00 15.00 H new ATOM 0 HA SER A 97 -0.287 40.415 19.011 1.00 15.00 H new ATOM 0 HB2 SER A 97 -2.370 41.336 19.876 1.00 15.00 H new ATOM 0 HB3 SER A 97 -2.714 40.683 18.286 1.00 15.00 H new ATOM 0 HG SER A 97 -4.271 39.986 19.877 1.00 15.00 H new ATOM 945 N GLU A 98 -0.529 40.121 21.621 1.00 15.00 N ATOM 946 CA GLU A 98 -0.225 39.766 23.003 1.00 15.00 C ATOM 947 C GLU A 98 -1.376 38.996 23.648 1.00 15.00 C ATOM 948 O GLU A 98 -1.151 38.103 24.466 1.00 15.00 O ATOM 949 CB GLU A 98 0.046 41.034 23.815 1.00 15.00 C ATOM 950 CG GLU A 98 1.294 41.738 23.271 1.00 15.00 C ATOM 951 CD GLU A 98 1.657 42.975 24.099 1.00 15.00 C ATOM 952 OE1 GLU A 98 0.867 43.386 24.937 1.00 15.00 O ATOM 953 OE2 GLU A 98 2.737 43.499 23.882 1.00 15.00 O ATOM 0 H GLU A 98 -0.547 41.124 21.437 1.00 15.00 H new ATOM 0 HA GLU A 98 0.658 39.127 22.997 1.00 15.00 H new ATOM 0 HB2 GLU A 98 -0.813 41.703 23.761 1.00 15.00 H new ATOM 0 HB3 GLU A 98 0.188 40.781 24.866 1.00 15.00 H new ATOM 0 HG2 GLU A 98 2.133 41.042 23.271 1.00 15.00 H new ATOM 0 HG3 GLU A 98 1.123 42.031 22.235 1.00 15.00 H new ATOM 960 N SER A 99 -2.610 39.334 23.281 1.00 15.00 N ATOM 961 CA SER A 99 -3.777 38.692 23.881 1.00 15.00 C ATOM 962 C SER A 99 -3.708 37.176 23.713 1.00 15.00 C ATOM 963 O SER A 99 -3.958 36.423 24.655 1.00 15.00 O ATOM 964 CB SER A 99 -5.055 39.221 23.229 1.00 15.00 C ATOM 965 OG SER A 99 -6.181 38.736 23.949 1.00 15.00 O ATOM 0 H SER A 99 -2.827 40.041 22.579 1.00 15.00 H new ATOM 0 HA SER A 99 -3.786 38.925 24.946 1.00 15.00 H new ATOM 0 HB2 SER A 99 -5.052 40.311 23.226 1.00 15.00 H new ATOM 0 HB3 SER A 99 -5.107 38.899 22.189 1.00 15.00 H new ATOM 0 HG SER A 99 -7.003 39.073 23.536 1.00 15.00 H new ATOM 971 N GLU A 100 -3.328 36.731 22.520 1.00 15.00 N ATOM 972 CA GLU A 100 -3.223 35.302 22.252 1.00 15.00 C ATOM 973 C GLU A 100 -2.182 34.642 23.154 1.00 15.00 C ATOM 974 O GLU A 100 -2.352 33.492 23.562 1.00 15.00 O ATOM 975 CB GLU A 100 -2.872 35.071 20.780 1.00 15.00 C ATOM 976 CG GLU A 100 -4.040 35.545 19.907 1.00 15.00 C ATOM 977 CD GLU A 100 -3.788 35.274 18.422 1.00 15.00 C ATOM 978 OE1 GLU A 100 -2.656 35.000 18.051 1.00 15.00 O ATOM 979 OE2 GLU A 100 -4.738 35.375 17.664 1.00 15.00 O ATOM 0 H GLU A 100 -3.090 37.332 21.731 1.00 15.00 H new ATOM 0 HA GLU A 100 -4.189 34.845 22.467 1.00 15.00 H new ATOM 0 HB2 GLU A 100 -1.963 35.614 20.520 1.00 15.00 H new ATOM 0 HB3 GLU A 100 -2.674 34.014 20.602 1.00 15.00 H new ATOM 0 HG2 GLU A 100 -4.954 35.040 20.218 1.00 15.00 H new ATOM 0 HG3 GLU A 100 -4.198 36.613 20.060 1.00 15.00 H new ATOM 986 N MET A 101 -1.107 35.363 23.467 1.00 15.00 N ATOM 987 CA MET A 101 -0.076 34.828 24.350 1.00 15.00 C ATOM 988 C MET A 101 -0.635 34.588 25.749 1.00 15.00 C ATOM 989 O MET A 101 -0.464 33.511 26.321 1.00 15.00 O ATOM 990 CB MET A 101 1.099 35.806 24.433 1.00 15.00 C ATOM 991 CG MET A 101 1.754 35.941 23.058 1.00 15.00 C ATOM 992 SD MET A 101 3.265 36.928 23.202 1.00 15.00 S ATOM 993 CE MET A 101 4.281 35.684 24.037 1.00 15.00 C ATOM 0 H MET A 101 -0.929 36.308 23.126 1.00 15.00 H new ATOM 0 HA MET A 101 0.266 33.878 23.940 1.00 15.00 H new ATOM 0 HB2 MET A 101 0.751 36.780 24.778 1.00 15.00 H new ATOM 0 HB3 MET A 101 1.829 35.452 25.161 1.00 15.00 H new ATOM 0 HG2 MET A 101 1.988 34.955 22.657 1.00 15.00 H new ATOM 0 HG3 MET A 101 1.064 36.414 22.359 1.00 15.00 H new ATOM 0 HE1 MET A 101 5.289 35.699 23.622 1.00 15.00 H new ATOM 0 HE2 MET A 101 4.324 35.906 25.103 1.00 15.00 H new ATOM 0 HE3 MET A 101 3.842 34.697 23.889 1.00 15.00 H new ATOM 1003 N MET A 102 -1.359 35.570 26.273 1.00 15.00 N ATOM 1004 CA MET A 102 -1.926 35.457 27.615 1.00 15.00 C ATOM 1005 C MET A 102 -2.875 34.265 27.718 1.00 15.00 C ATOM 1006 O MET A 102 -2.918 33.582 28.742 1.00 15.00 O ATOM 1007 CB MET A 102 -2.682 36.739 27.967 1.00 15.00 C ATOM 1008 CG MET A 102 -1.697 37.907 28.062 1.00 15.00 C ATOM 1009 SD MET A 102 -2.577 39.398 28.590 1.00 15.00 S ATOM 1010 CE MET A 102 -1.182 40.543 28.457 1.00 15.00 C ATOM 0 H MET A 102 -1.567 36.447 25.796 1.00 15.00 H new ATOM 0 HA MET A 102 -1.105 35.305 28.315 1.00 15.00 H new ATOM 0 HB2 MET A 102 -3.437 36.948 27.209 1.00 15.00 H new ATOM 0 HB3 MET A 102 -3.207 36.615 28.914 1.00 15.00 H new ATOM 0 HG2 MET A 102 -0.903 37.670 28.771 1.00 15.00 H new ATOM 0 HG3 MET A 102 -1.222 38.075 27.096 1.00 15.00 H new ATOM 0 HE1 MET A 102 -1.505 41.544 28.742 1.00 15.00 H new ATOM 0 HE2 MET A 102 -0.380 40.218 29.120 1.00 15.00 H new ATOM 0 HE3 MET A 102 -0.820 40.557 27.429 1.00 15.00 H new ATOM 1020 N LYS A 103 -3.632 34.019 26.654 1.00 15.00 N ATOM 1021 CA LYS A 103 -4.595 32.919 26.640 1.00 15.00 C ATOM 1022 C LYS A 103 -3.992 31.614 26.100 1.00 15.00 C ATOM 1023 O LYS A 103 -4.733 30.692 25.756 1.00 15.00 O ATOM 1024 CB LYS A 103 -5.803 33.304 25.778 1.00 15.00 C ATOM 1025 CG LYS A 103 -6.795 34.139 26.594 1.00 15.00 C ATOM 1026 CD LYS A 103 -6.281 35.572 26.745 1.00 15.00 C ATOM 1027 CE LYS A 103 -7.343 36.425 27.441 1.00 15.00 C ATOM 1028 NZ LYS A 103 -8.478 36.662 26.507 1.00 15.00 N ATOM 0 H LYS A 103 -3.599 34.563 25.792 1.00 15.00 H new ATOM 0 HA LYS A 103 -4.896 32.743 27.673 1.00 15.00 H new ATOM 0 HB2 LYS A 103 -5.471 33.870 24.907 1.00 15.00 H new ATOM 0 HB3 LYS A 103 -6.294 32.405 25.406 1.00 15.00 H new ATOM 0 HG2 LYS A 103 -7.768 34.144 26.103 1.00 15.00 H new ATOM 0 HG3 LYS A 103 -6.937 33.690 27.577 1.00 15.00 H new ATOM 0 HD2 LYS A 103 -5.357 35.579 27.324 1.00 15.00 H new ATOM 0 HD3 LYS A 103 -6.047 35.991 25.766 1.00 15.00 H new ATOM 0 HE2 LYS A 103 -7.697 35.922 28.341 1.00 15.00 H new ATOM 0 HE3 LYS A 103 -6.913 37.376 27.756 1.00 15.00 H new ATOM 0 HZ1 LYS A 103 -9.043 37.468 26.844 1.00 15.00 H new ATOM 0 HZ2 LYS A 103 -8.108 36.871 25.558 1.00 15.00 H new ATOM 0 HZ3 LYS A 103 -9.077 35.813 26.466 1.00 15.00 H new ATOM 1042 N ALA A 104 -2.663 31.524 26.021 1.00 15.00 N ATOM 1043 CA ALA A 104 -2.010 30.329 25.493 1.00 15.00 C ATOM 1044 C ALA A 104 -2.489 29.070 26.211 1.00 15.00 C ATOM 1045 O ALA A 104 -2.799 29.098 27.403 1.00 15.00 O ATOM 1046 CB ALA A 104 -0.493 30.457 25.647 1.00 15.00 C ATOM 0 H ALA A 104 -2.022 32.261 26.315 1.00 15.00 H new ATOM 0 HA ALA A 104 -2.271 30.242 24.438 1.00 15.00 H new ATOM 0 HB1 ALA A 104 -0.010 29.563 25.252 1.00 15.00 H new ATOM 0 HB2 ALA A 104 -0.144 31.331 25.097 1.00 15.00 H new ATOM 0 HB3 ALA A 104 -0.242 30.568 26.702 1.00 15.00 H new ATOM 1052 N ALA A 105 -2.543 27.968 25.470 1.00 15.00 N ATOM 1053 CA ALA A 105 -3.000 26.694 26.016 1.00 15.00 C ATOM 1054 C ALA A 105 -1.957 25.598 25.767 1.00 15.00 C ATOM 1055 O ALA A 105 -1.026 25.805 24.988 1.00 15.00 O ATOM 1056 CB ALA A 105 -4.326 26.299 25.361 1.00 15.00 C ATOM 0 H ALA A 105 -2.275 27.931 24.487 1.00 15.00 H new ATOM 0 HA ALA A 105 -3.142 26.805 27.091 1.00 15.00 H new ATOM 0 HB1 ALA A 105 -4.665 25.347 25.771 1.00 15.00 H new ATOM 0 HB2 ALA A 105 -5.073 27.067 25.561 1.00 15.00 H new ATOM 0 HB3 ALA A 105 -4.185 26.201 24.285 1.00 15.00 H new ATOM 1062 N PRO A 106 -2.082 24.449 26.399 1.00 15.00 N ATOM 1063 CA PRO A 106 -1.086 23.346 26.220 1.00 15.00 C ATOM 1064 C PRO A 106 -0.973 22.891 24.766 1.00 15.00 C ATOM 1065 O PRO A 106 -1.956 22.898 24.025 1.00 15.00 O ATOM 1066 CB PRO A 106 -1.599 22.206 27.109 1.00 15.00 C ATOM 1067 CG PRO A 106 -2.546 22.839 28.069 1.00 15.00 C ATOM 1068 CD PRO A 106 -3.143 24.042 27.344 1.00 15.00 C ATOM 0 HA PRO A 106 -0.084 23.675 26.494 1.00 15.00 H new ATOM 0 HB2 PRO A 106 -2.097 21.440 26.515 1.00 15.00 H new ATOM 0 HB3 PRO A 106 -0.777 21.718 27.633 1.00 15.00 H new ATOM 0 HG2 PRO A 106 -3.325 22.138 28.367 1.00 15.00 H new ATOM 0 HG3 PRO A 106 -2.031 23.148 28.978 1.00 15.00 H new ATOM 0 HD2 PRO A 106 -4.063 23.778 26.822 1.00 15.00 H new ATOM 0 HD3 PRO A 106 -3.389 24.845 28.038 1.00 15.00 H new ATOM 1076 N GLY A 107 0.234 22.497 24.368 1.00 15.00 N ATOM 1077 CA GLY A 107 0.461 21.990 23.015 1.00 15.00 C ATOM 1078 C GLY A 107 1.151 23.003 22.096 1.00 15.00 C ATOM 1079 O GLY A 107 1.639 22.625 21.029 1.00 15.00 O ATOM 0 H GLY A 107 1.066 22.518 24.958 1.00 15.00 H new ATOM 0 HA2 GLY A 107 1.069 21.087 23.070 1.00 15.00 H new ATOM 0 HA3 GLY A 107 -0.495 21.704 22.576 1.00 15.00 H new ATOM 1083 N GLN A 108 1.200 24.277 22.490 1.00 15.00 N ATOM 1084 CA GLN A 108 1.826 25.297 21.654 1.00 15.00 C ATOM 1085 C GLN A 108 3.325 25.377 21.924 1.00 15.00 C ATOM 1086 O GLN A 108 3.792 25.002 22.998 1.00 15.00 O ATOM 1087 CB GLN A 108 1.171 26.659 21.889 1.00 15.00 C ATOM 1088 CG GLN A 108 -0.272 26.613 21.383 1.00 15.00 C ATOM 1089 CD GLN A 108 -0.928 27.979 21.541 1.00 15.00 C ATOM 1090 OE1 GLN A 108 -1.428 28.303 22.617 1.00 15.00 O ATOM 1091 NE2 GLN A 108 -0.957 28.803 20.529 1.00 15.00 N ATOM 0 H GLN A 108 0.819 24.622 23.371 1.00 15.00 H new ATOM 0 HA GLN A 108 1.681 25.015 20.611 1.00 15.00 H new ATOM 0 HB2 GLN A 108 1.190 26.908 22.950 1.00 15.00 H new ATOM 0 HB3 GLN A 108 1.727 27.439 21.369 1.00 15.00 H new ATOM 0 HG2 GLN A 108 -0.288 26.312 20.335 1.00 15.00 H new ATOM 0 HG3 GLN A 108 -0.836 25.864 21.938 1.00 15.00 H new ATOM 0 HE21 GLN A 108 -0.541 28.531 19.638 1.00 15.00 H new ATOM 0 HE22 GLN A 108 -1.395 29.719 20.629 1.00 15.00 H new ATOM 1100 N GLN A 109 4.075 25.859 20.936 1.00 15.00 N ATOM 1101 CA GLN A 109 5.529 25.931 21.049 1.00 15.00 C ATOM 1102 C GLN A 109 6.006 27.377 21.140 1.00 15.00 C ATOM 1103 O GLN A 109 5.360 28.295 20.634 1.00 15.00 O ATOM 1104 CB GLN A 109 6.174 25.260 19.834 1.00 15.00 C ATOM 1105 CG GLN A 109 5.823 23.770 19.825 1.00 15.00 C ATOM 1106 CD GLN A 109 6.384 23.094 18.576 1.00 15.00 C ATOM 1107 OE1 GLN A 109 6.716 23.761 17.594 1.00 15.00 O ATOM 1108 NE2 GLN A 109 6.511 21.795 18.554 1.00 15.00 N ATOM 0 H GLN A 109 3.702 26.204 20.052 1.00 15.00 H new ATOM 0 HA GLN A 109 5.823 25.413 21.962 1.00 15.00 H new ATOM 0 HB2 GLN A 109 5.824 25.732 18.916 1.00 15.00 H new ATOM 0 HB3 GLN A 109 7.256 25.389 19.866 1.00 15.00 H new ATOM 0 HG2 GLN A 109 6.226 23.290 20.717 1.00 15.00 H new ATOM 0 HG3 GLN A 109 4.741 23.645 19.858 1.00 15.00 H new ATOM 0 HE21 GLN A 109 6.237 21.242 19.366 1.00 15.00 H new ATOM 0 HE22 GLN A 109 6.885 21.333 17.725 1.00 15.00 H new ATOM 1117 N ILE A 110 7.123 27.564 21.835 1.00 15.00 N ATOM 1118 CA ILE A 110 7.764 28.870 21.943 1.00 15.00 C ATOM 1119 C ILE A 110 9.215 28.761 21.478 1.00 15.00 C ATOM 1120 O ILE A 110 9.915 27.814 21.837 1.00 15.00 O ATOM 1121 CB ILE A 110 7.706 29.357 23.397 1.00 15.00 C ATOM 1122 CG1 ILE A 110 6.244 29.450 23.840 1.00 15.00 C ATOM 1123 CG2 ILE A 110 8.363 30.735 23.523 1.00 15.00 C ATOM 1124 CD1 ILE A 110 6.176 29.753 25.338 1.00 15.00 C ATOM 0 H ILE A 110 7.607 26.820 22.337 1.00 15.00 H new ATOM 0 HA ILE A 110 7.241 29.589 21.313 1.00 15.00 H new ATOM 0 HB ILE A 110 8.243 28.650 24.030 1.00 15.00 H new ATOM 0 HG12 ILE A 110 5.733 30.232 23.278 1.00 15.00 H new ATOM 0 HG13 ILE A 110 5.729 28.514 23.625 1.00 15.00 H new ATOM 0 HG21 ILE A 110 8.314 31.068 24.560 1.00 15.00 H new ATOM 0 HG22 ILE A 110 9.405 30.671 23.211 1.00 15.00 H new ATOM 0 HG23 ILE A 110 7.837 31.448 22.888 1.00 15.00 H new ATOM 0 HD11 ILE A 110 5.133 29.818 25.649 1.00 15.00 H new ATOM 0 HD12 ILE A 110 6.671 28.956 25.893 1.00 15.00 H new ATOM 0 HD13 ILE A 110 6.675 30.701 25.541 1.00 15.00 H new ATOM 1136 N ILE A 111 9.667 29.734 20.690 1.00 15.00 N ATOM 1137 CA ILE A 111 11.041 29.728 20.192 1.00 15.00 C ATOM 1138 C ILE A 111 11.870 30.788 20.911 1.00 15.00 C ATOM 1139 O ILE A 111 11.439 31.931 21.065 1.00 15.00 O ATOM 1140 CB ILE A 111 11.063 29.993 18.680 1.00 15.00 C ATOM 1141 CG1 ILE A 111 10.190 28.960 17.960 1.00 15.00 C ATOM 1142 CG2 ILE A 111 12.499 29.885 18.152 1.00 15.00 C ATOM 1143 CD1 ILE A 111 10.073 29.326 16.480 1.00 15.00 C ATOM 0 H ILE A 111 9.108 30.530 20.384 1.00 15.00 H new ATOM 0 HA ILE A 111 11.472 28.746 20.387 1.00 15.00 H new ATOM 0 HB ILE A 111 10.678 30.996 18.493 1.00 15.00 H new ATOM 0 HG12 ILE A 111 10.624 27.966 18.065 1.00 15.00 H new ATOM 0 HG13 ILE A 111 9.200 28.925 18.415 1.00 15.00 H new ATOM 0 HG21 ILE A 111 12.507 30.074 17.079 1.00 15.00 H new ATOM 0 HG22 ILE A 111 13.128 30.620 18.655 1.00 15.00 H new ATOM 0 HG23 ILE A 111 12.884 28.884 18.347 1.00 15.00 H new ATOM 0 HD11 ILE A 111 9.452 28.589 15.971 1.00 15.00 H new ATOM 0 HD12 ILE A 111 9.619 30.312 16.384 1.00 15.00 H new ATOM 0 HD13 ILE A 111 11.065 29.338 16.029 1.00 15.00 H new ATOM 1155 N LEU A 112 13.057 30.392 21.358 1.00 15.00 N ATOM 1156 CA LEU A 112 14.004 31.325 21.957 1.00 15.00 C ATOM 1157 C LEU A 112 15.277 31.369 21.110 1.00 15.00 C ATOM 1158 O LEU A 112 16.187 30.571 21.335 1.00 15.00 O ATOM 1159 CB LEU A 112 14.352 30.875 23.378 1.00 15.00 C ATOM 1160 CG LEU A 112 13.116 31.003 24.271 1.00 15.00 C ATOM 1161 CD1 LEU A 112 13.270 30.092 25.490 1.00 15.00 C ATOM 1162 CD2 LEU A 112 12.973 32.454 24.736 1.00 15.00 C ATOM 0 H LEU A 112 13.387 29.428 21.316 1.00 15.00 H new ATOM 0 HA LEU A 112 13.554 32.317 21.997 1.00 15.00 H new ATOM 0 HB2 LEU A 112 14.702 29.843 23.369 1.00 15.00 H new ATOM 0 HB3 LEU A 112 15.165 31.483 23.775 1.00 15.00 H new ATOM 0 HG LEU A 112 12.229 30.710 23.708 1.00 15.00 H new ATOM 0 HD11 LEU A 112 12.390 30.183 26.126 1.00 15.00 H new ATOM 0 HD12 LEU A 112 13.374 29.058 25.161 1.00 15.00 H new ATOM 0 HD13 LEU A 112 14.156 30.384 26.053 1.00 15.00 H new ATOM 0 HD21 LEU A 112 12.093 32.547 25.372 1.00 15.00 H new ATOM 0 HD22 LEU A 112 13.860 32.745 25.299 1.00 15.00 H new ATOM 0 HD23 LEU A 112 12.864 33.105 23.869 1.00 15.00 H new ATOM 1174 N PRO A 113 15.344 32.221 20.109 1.00 15.00 N ATOM 1175 CA PRO A 113 16.538 32.297 19.221 1.00 15.00 C ATOM 1176 C PRO A 113 17.569 33.316 19.699 1.00 15.00 C ATOM 1177 O PRO A 113 17.276 34.505 19.808 1.00 15.00 O ATOM 1178 CB PRO A 113 15.933 32.725 17.886 1.00 15.00 C ATOM 1179 CG PRO A 113 14.773 33.594 18.248 1.00 15.00 C ATOM 1180 CD PRO A 113 14.320 33.185 19.653 1.00 15.00 C ATOM 0 HA PRO A 113 17.086 31.356 19.184 1.00 15.00 H new ATOM 0 HB2 PRO A 113 16.658 33.267 17.280 1.00 15.00 H new ATOM 0 HB3 PRO A 113 15.613 31.862 17.303 1.00 15.00 H new ATOM 0 HG2 PRO A 113 15.059 34.646 18.227 1.00 15.00 H new ATOM 0 HG3 PRO A 113 13.961 33.470 17.531 1.00 15.00 H new ATOM 0 HD2 PRO A 113 14.263 34.047 20.318 1.00 15.00 H new ATOM 0 HD3 PRO A 113 13.329 32.731 19.634 1.00 15.00 H new