USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 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 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 90:sc= 0.0404 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 170:sc= 0.549 USER MOD Single : A 41 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00128) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot -170:sc= -0.0963 USER MOD Single : A 53 SER OG : rot 180:sc= -0.718 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 56 GLN : amide:sc= -0.226 K(o=-0.23,f=-2.2!) USER MOD Single : A 58 LYS NZ :NH3+ -150:sc= -2.03! (180deg=-2.88!) USER MOD Single : A 62 SER OG : rot -106:sc= 0.582 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -17:sc= 0.407 USER MOD Single : A 68 GLN : amide:sc= -0.435 X(o=-0.43,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.0699 K(o=-0.07,f=-2!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0977 USER MOD Single : A 89 GLN : amide:sc= -0.224 K(o=-0.22,f=-1.9) USER MOD Single : A 90 HIS : no HE2:sc= -1.33 K(o=-1.3,f=-3!) USER MOD Single : A 93 HIS :FLIP no HD1:sc= -0.0648 F(o=-0.91,f=-0.065) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 380 N LYS A 31 7.570 -4.751 -10.825 1.00 0.00 N ATOM 381 CA LYS A 31 8.258 -3.902 -9.818 1.00 0.00 C ATOM 382 C LYS A 31 7.365 -2.688 -9.585 1.00 0.00 C ATOM 383 O LYS A 31 7.687 -1.577 -9.958 1.00 0.00 O ATOM 384 CB LYS A 31 9.583 -3.494 -10.463 1.00 0.00 C ATOM 385 CG LYS A 31 10.647 -4.554 -10.163 1.00 0.00 C ATOM 386 CD LYS A 31 12.003 -3.876 -9.940 1.00 0.00 C ATOM 387 CE LYS A 31 12.547 -4.255 -8.560 1.00 0.00 C ATOM 388 NZ LYS A 31 14.028 -4.139 -8.685 1.00 0.00 N ATOM 0 HA LYS A 31 8.441 -4.397 -8.864 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.457 -3.385 -11.540 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.902 -2.525 -10.080 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.366 -5.126 -9.279 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.714 -5.260 -10.991 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.705 -4.182 -10.715 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.896 -2.794 -10.015 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.163 -3.589 -7.788 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.252 -5.267 -8.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.473 -4.384 -7.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.366 -4.789 -9.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.279 -3.163 -8.942 1.00 0.00 H new ATOM 402 N ILE A 32 6.214 -2.910 -9.010 1.00 0.00 N ATOM 403 CA ILE A 32 5.255 -1.798 -8.799 1.00 0.00 C ATOM 404 C ILE A 32 5.889 -0.692 -7.956 1.00 0.00 C ATOM 405 O ILE A 32 6.005 -0.802 -6.751 1.00 0.00 O ATOM 406 CB ILE A 32 4.071 -2.434 -8.070 1.00 0.00 C ATOM 407 CG1 ILE A 32 3.349 -3.373 -9.039 1.00 0.00 C ATOM 408 CG2 ILE A 32 3.109 -1.347 -7.575 1.00 0.00 C ATOM 409 CD1 ILE A 32 2.556 -2.562 -10.070 1.00 0.00 C ATOM 0 H ILE A 32 5.899 -3.821 -8.677 1.00 0.00 H new ATOM 0 HA ILE A 32 4.952 -1.331 -9.736 1.00 0.00 H new ATOM 0 HB ILE A 32 4.427 -2.995 -7.206 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.073 -4.011 -9.546 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.677 -4.030 -8.487 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.270 -1.812 -7.058 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.634 -0.681 -6.890 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.739 -0.774 -8.425 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.047 -3.241 -10.754 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.819 -1.943 -9.558 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.237 -1.924 -10.633 1.00 0.00 H new ATOM 421 N ILE A 33 6.291 0.373 -8.586 1.00 0.00 N ATOM 422 CA ILE A 33 6.914 1.500 -7.830 1.00 0.00 C ATOM 423 C ILE A 33 5.854 2.562 -7.519 1.00 0.00 C ATOM 424 O ILE A 33 4.921 2.764 -8.276 1.00 0.00 O ATOM 425 CB ILE A 33 8.015 2.062 -8.740 1.00 0.00 C ATOM 426 CG1 ILE A 33 7.389 2.888 -9.871 1.00 0.00 C ATOM 427 CG2 ILE A 33 8.832 0.907 -9.333 1.00 0.00 C ATOM 428 CD1 ILE A 33 8.469 3.322 -10.861 1.00 0.00 C ATOM 0 H ILE A 33 6.217 0.515 -9.593 1.00 0.00 H new ATOM 0 HA ILE A 33 7.331 1.176 -6.876 1.00 0.00 H new ATOM 0 HB ILE A 33 8.671 2.704 -8.152 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.629 2.299 -10.384 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.889 3.764 -9.459 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.613 1.308 -9.979 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.287 0.332 -8.527 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.177 0.259 -9.915 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.015 3.908 -11.661 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.214 3.928 -10.345 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.949 2.440 -11.285 1.00 0.00 H new ATOM 440 N LYS A 34 5.989 3.236 -6.409 1.00 0.00 N ATOM 441 CA LYS A 34 4.992 4.283 -6.043 1.00 0.00 C ATOM 442 C LYS A 34 5.444 5.646 -6.569 1.00 0.00 C ATOM 443 O LYS A 34 6.614 5.972 -6.546 1.00 0.00 O ATOM 444 CB LYS A 34 4.961 4.281 -4.514 1.00 0.00 C ATOM 445 CG LYS A 34 3.820 3.387 -4.027 1.00 0.00 C ATOM 446 CD LYS A 34 3.273 3.930 -2.706 1.00 0.00 C ATOM 447 CE LYS A 34 2.183 2.993 -2.179 1.00 0.00 C ATOM 448 NZ LYS A 34 2.879 2.103 -1.208 1.00 0.00 N ATOM 0 H LYS A 34 6.747 3.107 -5.739 1.00 0.00 H new ATOM 0 HA LYS A 34 4.009 4.087 -6.471 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.912 3.921 -4.121 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.826 5.296 -4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.027 3.352 -4.774 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.176 2.366 -3.893 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.077 4.016 -1.975 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.867 4.931 -2.853 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.380 3.552 -1.698 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.731 2.419 -2.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.197 1.431 -0.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.633 1.579 -1.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.294 2.677 -0.446 1.00 0.00 H new ATOM 462 N VAL A 35 4.525 6.443 -7.044 1.00 0.00 N ATOM 463 CA VAL A 35 4.906 7.785 -7.572 1.00 0.00 C ATOM 464 C VAL A 35 4.023 8.866 -6.948 1.00 0.00 C ATOM 465 O VAL A 35 2.833 8.924 -7.189 1.00 0.00 O ATOM 466 CB VAL A 35 4.664 7.701 -9.080 1.00 0.00 C ATOM 467 CG1 VAL A 35 5.081 9.018 -9.741 1.00 0.00 C ATOM 468 CG2 VAL A 35 5.489 6.553 -9.667 1.00 0.00 C ATOM 0 H VAL A 35 3.530 6.224 -7.089 1.00 0.00 H new ATOM 0 HA VAL A 35 5.939 8.043 -7.339 1.00 0.00 H new ATOM 0 HB VAL A 35 3.605 7.521 -9.266 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.908 8.957 -10.815 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.493 9.836 -9.325 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.139 9.200 -9.554 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.316 6.493 -10.742 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.548 6.732 -9.479 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.191 5.615 -9.199 1.00 0.00 H new ATOM 478 N THR A 36 4.598 9.728 -6.152 1.00 0.00 N ATOM 479 CA THR A 36 3.794 10.809 -5.515 1.00 0.00 C ATOM 480 C THR A 36 3.783 12.047 -6.415 1.00 0.00 C ATOM 481 O THR A 36 4.783 12.720 -6.570 1.00 0.00 O ATOM 482 CB THR A 36 4.503 11.109 -4.194 1.00 0.00 C ATOM 483 OG1 THR A 36 4.769 9.890 -3.515 1.00 0.00 O ATOM 484 CG2 THR A 36 3.612 11.998 -3.324 1.00 0.00 C ATOM 0 H THR A 36 5.590 9.729 -5.916 1.00 0.00 H new ATOM 0 HA THR A 36 2.756 10.517 -5.357 1.00 0.00 H new ATOM 0 HB THR A 36 5.441 11.626 -4.394 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.647 9.549 -3.786 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.119 12.211 -2.383 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.410 12.933 -3.847 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.672 11.484 -3.122 1.00 0.00 H new ATOM 492 N VAL A 37 2.662 12.346 -7.013 1.00 0.00 N ATOM 493 CA VAL A 37 2.591 13.537 -7.908 1.00 0.00 C ATOM 494 C VAL A 37 2.074 14.751 -7.135 1.00 0.00 C ATOM 495 O VAL A 37 1.040 14.700 -6.499 1.00 0.00 O ATOM 496 CB VAL A 37 1.607 13.150 -9.014 1.00 0.00 C ATOM 497 CG1 VAL A 37 1.516 14.287 -10.033 1.00 0.00 C ATOM 498 CG2 VAL A 37 2.096 11.879 -9.713 1.00 0.00 C ATOM 0 H VAL A 37 1.794 11.819 -6.921 1.00 0.00 H new ATOM 0 HA VAL A 37 3.568 13.807 -8.309 1.00 0.00 H new ATOM 0 HB VAL A 37 0.624 12.969 -8.579 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.815 14.013 -10.822 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.168 15.193 -9.537 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.500 14.466 -10.467 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.394 11.604 -10.501 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.079 12.059 -10.149 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.163 11.068 -8.988 1.00 0.00 H new ATOM 508 N LYS A 38 2.784 15.844 -7.193 1.00 0.00 N ATOM 509 CA LYS A 38 2.334 17.068 -6.469 1.00 0.00 C ATOM 510 C LYS A 38 1.887 18.127 -7.477 1.00 0.00 C ATOM 511 O LYS A 38 2.639 18.530 -8.342 1.00 0.00 O ATOM 512 CB LYS A 38 3.563 17.546 -5.694 1.00 0.00 C ATOM 513 CG LYS A 38 3.488 17.042 -4.249 1.00 0.00 C ATOM 514 CD LYS A 38 3.631 18.222 -3.285 1.00 0.00 C ATOM 515 CE LYS A 38 5.058 18.770 -3.355 1.00 0.00 C ATOM 516 NZ LYS A 38 5.795 18.062 -2.272 1.00 0.00 N ATOM 0 H LYS A 38 3.657 15.943 -7.711 1.00 0.00 H new ATOM 0 HA LYS A 38 1.490 16.876 -5.806 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.472 17.179 -6.171 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.613 18.635 -5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.539 16.534 -4.079 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.277 16.313 -4.066 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.917 19.004 -3.543 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.402 17.904 -2.268 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.507 18.578 -4.329 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.074 19.849 -3.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.784 18.385 -2.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.349 18.269 -1.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.768 17.037 -2.447 1.00 0.00 H new ATOM 530 N THR A 39 0.666 18.579 -7.374 1.00 0.00 N ATOM 531 CA THR A 39 0.167 19.611 -8.329 1.00 0.00 C ATOM 532 C THR A 39 -0.345 20.835 -7.561 1.00 0.00 C ATOM 533 O THR A 39 -0.610 20.752 -6.379 1.00 0.00 O ATOM 534 CB THR A 39 -0.977 18.930 -9.085 1.00 0.00 C ATOM 535 OG1 THR A 39 -2.007 18.585 -8.170 1.00 0.00 O ATOM 536 CG2 THR A 39 -0.460 17.662 -9.775 1.00 0.00 C ATOM 0 H THR A 39 -0.008 18.278 -6.670 1.00 0.00 H new ATOM 0 HA THR A 39 0.946 19.964 -9.004 1.00 0.00 H new ATOM 0 HB THR A 39 -1.370 19.614 -9.838 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.804 18.303 -8.666 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.278 17.181 -10.312 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.330 17.927 -10.478 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.064 16.976 -9.026 1.00 0.00 H new ATOM 544 N PRO A 40 -0.470 21.936 -8.258 1.00 0.00 N ATOM 545 CA PRO A 40 -0.958 23.185 -7.620 1.00 0.00 C ATOM 546 C PRO A 40 -2.458 23.084 -7.325 1.00 0.00 C ATOM 547 O PRO A 40 -3.250 23.869 -7.805 1.00 0.00 O ATOM 548 CB PRO A 40 -0.679 24.258 -8.669 1.00 0.00 C ATOM 549 CG PRO A 40 -0.650 23.527 -9.973 1.00 0.00 C ATOM 550 CD PRO A 40 -0.174 22.127 -9.685 1.00 0.00 C ATOM 0 HA PRO A 40 -0.475 23.396 -6.666 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.453 25.025 -8.664 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.269 24.760 -8.477 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.640 23.511 -10.428 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.017 24.023 -10.678 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.694 21.394 -10.302 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.891 22.018 -9.890 1.00 0.00 H new ATOM 558 N LYS A 41 -2.850 22.118 -6.533 1.00 0.00 N ATOM 559 CA LYS A 41 -4.295 21.950 -6.195 1.00 0.00 C ATOM 560 C LYS A 41 -4.456 20.803 -5.194 1.00 0.00 C ATOM 561 O LYS A 41 -5.255 20.869 -4.279 1.00 0.00 O ATOM 562 CB LYS A 41 -4.986 21.606 -7.519 1.00 0.00 C ATOM 563 CG LYS A 41 -6.273 22.423 -7.655 1.00 0.00 C ATOM 564 CD LYS A 41 -5.944 23.799 -8.238 1.00 0.00 C ATOM 565 CE LYS A 41 -7.212 24.419 -8.830 1.00 0.00 C ATOM 566 NZ LYS A 41 -7.947 24.981 -7.664 1.00 0.00 N ATOM 0 H LYS A 41 -2.226 21.435 -6.104 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.722 22.844 -5.742 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.319 21.818 -8.355 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.214 20.541 -7.556 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.980 21.902 -8.300 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.751 22.533 -6.682 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.538 24.447 -7.461 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.178 23.706 -9.008 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.970 25.196 -9.555 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.811 23.672 -9.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.821 25.439 -7.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.185 24.215 -7.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.349 25.682 -7.182 1.00 0.00 H new ATOM 580 N GLU A 42 -3.697 19.754 -5.363 1.00 0.00 N ATOM 581 CA GLU A 42 -3.790 18.594 -4.429 1.00 0.00 C ATOM 582 C GLU A 42 -2.600 17.653 -4.645 1.00 0.00 C ATOM 583 O GLU A 42 -1.662 17.978 -5.347 1.00 0.00 O ATOM 584 CB GLU A 42 -5.106 17.898 -4.784 1.00 0.00 C ATOM 585 CG GLU A 42 -5.080 17.451 -6.249 1.00 0.00 C ATOM 586 CD GLU A 42 -6.452 17.688 -6.881 1.00 0.00 C ATOM 587 OE1 GLU A 42 -6.715 18.813 -7.277 1.00 0.00 O ATOM 588 OE2 GLU A 42 -7.219 16.742 -6.960 1.00 0.00 O ATOM 0 H GLU A 42 -3.013 19.650 -6.112 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.768 18.899 -3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.259 17.036 -4.134 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.943 18.576 -4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.316 18.004 -6.795 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.816 16.395 -6.313 1.00 0.00 H new ATOM 595 N LYS A 43 -2.633 16.492 -4.050 1.00 0.00 N ATOM 596 CA LYS A 43 -1.503 15.531 -4.224 1.00 0.00 C ATOM 597 C LYS A 43 -2.035 14.097 -4.300 1.00 0.00 C ATOM 598 O LYS A 43 -2.748 13.643 -3.426 1.00 0.00 O ATOM 599 CB LYS A 43 -0.625 15.718 -2.984 1.00 0.00 C ATOM 600 CG LYS A 43 -1.447 15.451 -1.721 1.00 0.00 C ATOM 601 CD LYS A 43 -0.685 15.963 -0.495 1.00 0.00 C ATOM 602 CE LYS A 43 0.056 14.801 0.171 1.00 0.00 C ATOM 603 NZ LYS A 43 0.276 15.241 1.578 1.00 0.00 N ATOM 0 H LYS A 43 -3.392 16.166 -3.451 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.947 15.710 -5.144 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.227 15.039 -3.025 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.224 16.731 -2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.415 15.947 -1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.642 14.383 -1.621 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.023 16.737 -0.791 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.378 16.419 0.212 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.531 13.884 0.131 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.002 14.596 -0.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.780 14.496 2.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.844 16.112 1.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.642 15.422 2.033 1.00 0.00 H new ATOM 617 N GLU A 44 -1.695 13.383 -5.340 1.00 0.00 N ATOM 618 CA GLU A 44 -2.183 11.980 -5.475 1.00 0.00 C ATOM 619 C GLU A 44 -1.041 11.056 -5.910 1.00 0.00 C ATOM 620 O GLU A 44 -0.310 11.351 -6.836 1.00 0.00 O ATOM 621 CB GLU A 44 -3.260 12.038 -6.557 1.00 0.00 C ATOM 622 CG GLU A 44 -4.599 12.423 -5.926 1.00 0.00 C ATOM 623 CD GLU A 44 -5.729 12.159 -6.922 1.00 0.00 C ATOM 624 OE1 GLU A 44 -5.664 11.152 -7.608 1.00 0.00 O ATOM 625 OE2 GLU A 44 -6.641 12.967 -6.983 1.00 0.00 O ATOM 0 H GLU A 44 -1.101 13.711 -6.101 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.567 11.588 -4.533 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.984 12.765 -7.321 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.344 11.071 -7.053 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.762 11.848 -5.015 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.590 13.475 -5.642 1.00 0.00 H new ATOM 632 N GLU A 45 -0.888 9.937 -5.254 1.00 0.00 N ATOM 633 CA GLU A 45 0.199 8.989 -5.632 1.00 0.00 C ATOM 634 C GLU A 45 -0.319 7.999 -6.678 1.00 0.00 C ATOM 635 O GLU A 45 -1.491 7.678 -6.709 1.00 0.00 O ATOM 636 CB GLU A 45 0.561 8.263 -4.336 1.00 0.00 C ATOM 637 CG GLU A 45 1.718 7.298 -4.597 1.00 0.00 C ATOM 638 CD GLU A 45 1.162 5.921 -4.962 1.00 0.00 C ATOM 639 OE1 GLU A 45 0.160 5.536 -4.383 1.00 0.00 O ATOM 640 OE2 GLU A 45 1.748 5.274 -5.814 1.00 0.00 O ATOM 0 H GLU A 45 -1.470 9.638 -4.471 1.00 0.00 H new ATOM 0 HA GLU A 45 1.062 9.494 -6.066 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.842 8.985 -3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.304 7.717 -3.959 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.344 7.675 -5.406 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.350 7.224 -3.712 1.00 0.00 H new ATOM 647 N PHE A 46 0.538 7.515 -7.538 1.00 0.00 N ATOM 648 CA PHE A 46 0.081 6.552 -8.578 1.00 0.00 C ATOM 649 C PHE A 46 0.888 5.255 -8.498 1.00 0.00 C ATOM 650 O PHE A 46 2.083 5.265 -8.282 1.00 0.00 O ATOM 651 CB PHE A 46 0.341 7.260 -9.908 1.00 0.00 C ATOM 652 CG PHE A 46 -0.885 8.046 -10.311 1.00 0.00 C ATOM 653 CD1 PHE A 46 -1.293 9.145 -9.546 1.00 0.00 C ATOM 654 CD2 PHE A 46 -1.612 7.673 -11.448 1.00 0.00 C ATOM 655 CE1 PHE A 46 -2.429 9.873 -9.920 1.00 0.00 C ATOM 656 CE2 PHE A 46 -2.748 8.402 -11.821 1.00 0.00 C ATOM 657 CZ PHE A 46 -3.157 9.501 -11.057 1.00 0.00 C ATOM 0 H PHE A 46 1.531 7.745 -7.564 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.967 6.279 -8.454 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.199 7.926 -9.815 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.587 6.529 -10.679 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.732 9.431 -8.668 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.297 6.824 -12.037 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.744 10.722 -9.331 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.309 8.116 -12.699 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.034 10.062 -11.344 1.00 0.00 H new ATOM 667 N ALA A 47 0.238 4.140 -8.687 1.00 0.00 N ATOM 668 CA ALA A 47 0.955 2.835 -8.644 1.00 0.00 C ATOM 669 C ALA A 47 1.188 2.357 -10.073 1.00 0.00 C ATOM 670 O ALA A 47 0.253 2.122 -10.815 1.00 0.00 O ATOM 671 CB ALA A 47 0.016 1.885 -7.900 1.00 0.00 C ATOM 0 H ALA A 47 -0.763 4.077 -8.870 1.00 0.00 H new ATOM 0 HA ALA A 47 1.925 2.895 -8.151 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.477 0.900 -7.828 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.173 2.271 -6.898 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.926 1.806 -8.442 1.00 0.00 H new ATOM 677 N VAL A 48 2.420 2.239 -10.481 1.00 0.00 N ATOM 678 CA VAL A 48 2.689 1.806 -11.881 1.00 0.00 C ATOM 679 C VAL A 48 3.515 0.510 -11.899 1.00 0.00 C ATOM 680 O VAL A 48 4.319 0.280 -11.017 1.00 0.00 O ATOM 681 CB VAL A 48 3.462 2.972 -12.502 1.00 0.00 C ATOM 682 CG1 VAL A 48 2.634 4.259 -12.385 1.00 0.00 C ATOM 683 CG2 VAL A 48 4.789 3.159 -11.763 1.00 0.00 C ATOM 0 H VAL A 48 3.246 2.422 -9.912 1.00 0.00 H new ATOM 0 HA VAL A 48 1.776 1.584 -12.434 1.00 0.00 H new ATOM 0 HB VAL A 48 3.655 2.755 -13.553 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.186 5.088 -12.828 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.687 4.132 -12.910 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.440 4.472 -11.334 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.338 3.990 -12.206 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.593 3.373 -10.712 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.382 2.248 -11.843 1.00 0.00 H new ATOM 693 N PRO A 49 3.278 -0.302 -12.902 1.00 0.00 N ATOM 694 CA PRO A 49 3.999 -1.595 -13.025 1.00 0.00 C ATOM 695 C PRO A 49 5.433 -1.399 -13.535 1.00 0.00 C ATOM 696 O PRO A 49 5.847 -2.030 -14.485 1.00 0.00 O ATOM 697 CB PRO A 49 3.171 -2.369 -14.047 1.00 0.00 C ATOM 698 CG PRO A 49 2.476 -1.326 -14.862 1.00 0.00 C ATOM 699 CD PRO A 49 2.326 -0.098 -14.001 1.00 0.00 C ATOM 0 HA PRO A 49 4.096 -2.106 -12.067 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.805 -2.998 -14.671 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.454 -3.027 -13.556 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.050 -1.096 -15.760 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.500 -1.684 -15.191 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.554 0.809 -14.560 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.306 0.004 -13.629 1.00 0.00 H new ATOM 707 N GLU A 50 6.196 -0.546 -12.898 1.00 0.00 N ATOM 708 CA GLU A 50 7.614 -0.316 -13.325 1.00 0.00 C ATOM 709 C GLU A 50 7.703 0.091 -14.805 1.00 0.00 C ATOM 710 O GLU A 50 7.920 1.243 -15.126 1.00 0.00 O ATOM 711 CB GLU A 50 8.325 -1.654 -13.089 1.00 0.00 C ATOM 712 CG GLU A 50 9.807 -1.529 -13.460 1.00 0.00 C ATOM 713 CD GLU A 50 10.581 -0.891 -12.302 1.00 0.00 C ATOM 714 OE1 GLU A 50 9.981 -0.661 -11.265 1.00 0.00 O ATOM 715 OE2 GLU A 50 11.764 -0.644 -12.474 1.00 0.00 O ATOM 0 H GLU A 50 5.896 0.006 -12.094 1.00 0.00 H new ATOM 0 HA GLU A 50 8.069 0.500 -12.764 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.226 -1.949 -12.044 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.856 -2.436 -13.687 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.219 -2.513 -13.686 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.916 -0.923 -14.360 1.00 0.00 H new ATOM 722 N ASN A 51 7.560 -0.849 -15.701 1.00 0.00 N ATOM 723 CA ASN A 51 7.660 -0.541 -17.165 1.00 0.00 C ATOM 724 C ASN A 51 6.840 0.699 -17.551 1.00 0.00 C ATOM 725 O ASN A 51 7.075 1.300 -18.580 1.00 0.00 O ATOM 726 CB ASN A 51 7.106 -1.782 -17.865 1.00 0.00 C ATOM 727 CG ASN A 51 7.333 -1.660 -19.374 1.00 0.00 C ATOM 728 OD1 ASN A 51 8.395 -1.983 -19.868 1.00 0.00 O ATOM 729 ND2 ASN A 51 6.373 -1.204 -20.131 1.00 0.00 N ATOM 0 H ASN A 51 7.376 -1.828 -15.482 1.00 0.00 H new ATOM 0 HA ASN A 51 8.688 -0.317 -17.450 1.00 0.00 H new ATOM 0 HB2 ASN A 51 7.597 -2.677 -17.484 1.00 0.00 H new ATOM 0 HB3 ASN A 51 6.042 -1.887 -17.654 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.514 -1.119 -21.138 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.481 -0.933 -19.716 1.00 0.00 H new ATOM 736 N SER A 52 5.883 1.087 -16.750 1.00 0.00 N ATOM 737 CA SER A 52 5.065 2.288 -17.103 1.00 0.00 C ATOM 738 C SER A 52 5.969 3.519 -17.243 1.00 0.00 C ATOM 739 O SER A 52 6.248 4.212 -16.284 1.00 0.00 O ATOM 740 CB SER A 52 4.089 2.468 -15.939 1.00 0.00 C ATOM 741 OG SER A 52 2.757 2.387 -16.429 1.00 0.00 O ATOM 0 H SER A 52 5.632 0.630 -15.873 1.00 0.00 H new ATOM 0 HA SER A 52 4.543 2.165 -18.052 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.259 1.700 -15.184 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.254 3.431 -15.456 1.00 0.00 H new ATOM 0 HG SER A 52 2.132 2.657 -15.724 1.00 0.00 H new ATOM 747 N SER A 53 6.429 3.787 -18.437 1.00 0.00 N ATOM 748 CA SER A 53 7.320 4.966 -18.659 1.00 0.00 C ATOM 749 C SER A 53 6.545 6.268 -18.439 1.00 0.00 C ATOM 750 O SER A 53 5.351 6.257 -18.212 1.00 0.00 O ATOM 751 CB SER A 53 7.762 4.853 -20.116 1.00 0.00 C ATOM 752 OG SER A 53 8.516 3.661 -20.287 1.00 0.00 O ATOM 0 H SER A 53 6.225 3.238 -19.272 1.00 0.00 H new ATOM 0 HA SER A 53 8.165 4.979 -17.971 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.892 4.844 -20.772 1.00 0.00 H new ATOM 0 HB3 SER A 53 8.362 5.719 -20.394 1.00 0.00 H new ATOM 0 HG SER A 53 8.800 3.585 -21.222 1.00 0.00 H new ATOM 758 N VAL A 54 7.214 7.390 -18.511 1.00 0.00 N ATOM 759 CA VAL A 54 6.507 8.688 -18.311 1.00 0.00 C ATOM 760 C VAL A 54 5.547 8.952 -19.470 1.00 0.00 C ATOM 761 O VAL A 54 4.491 9.503 -19.283 1.00 0.00 O ATOM 762 CB VAL A 54 7.585 9.766 -18.251 1.00 0.00 C ATOM 763 CG1 VAL A 54 6.927 11.109 -17.907 1.00 0.00 C ATOM 764 CG2 VAL A 54 8.609 9.409 -17.169 1.00 0.00 C ATOM 0 H VAL A 54 8.214 7.463 -18.699 1.00 0.00 H new ATOM 0 HA VAL A 54 5.915 8.678 -17.396 1.00 0.00 H new ATOM 0 HB VAL A 54 8.090 9.836 -19.215 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.689 11.887 -17.862 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.195 11.363 -18.674 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.428 11.033 -16.941 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.378 10.180 -17.128 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.109 9.343 -16.203 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.069 8.450 -17.406 1.00 0.00 H new ATOM 774 N GLN A 55 5.899 8.573 -20.667 1.00 0.00 N ATOM 775 CA GLN A 55 4.976 8.819 -21.817 1.00 0.00 C ATOM 776 C GLN A 55 3.568 8.311 -21.470 1.00 0.00 C ATOM 777 O GLN A 55 2.585 9.012 -21.628 1.00 0.00 O ATOM 778 CB GLN A 55 5.565 8.017 -22.980 1.00 0.00 C ATOM 779 CG GLN A 55 4.729 8.255 -24.239 1.00 0.00 C ATOM 780 CD GLN A 55 5.250 9.493 -24.972 1.00 0.00 C ATOM 781 OE1 GLN A 55 6.361 9.499 -25.463 1.00 0.00 O ATOM 782 NE2 GLN A 55 4.488 10.548 -25.068 1.00 0.00 N ATOM 0 H GLN A 55 6.776 8.108 -20.901 1.00 0.00 H new ATOM 0 HA GLN A 55 4.887 9.878 -22.061 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.599 8.316 -23.155 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.577 6.955 -22.734 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.780 7.384 -24.892 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.681 8.392 -23.972 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.555 10.543 -24.656 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.825 11.378 -25.556 1.00 0.00 H new ATOM 791 N GLN A 56 3.473 7.105 -20.982 1.00 0.00 N ATOM 792 CA GLN A 56 2.139 6.547 -20.610 1.00 0.00 C ATOM 793 C GLN A 56 1.659 7.147 -19.282 1.00 0.00 C ATOM 794 O GLN A 56 0.529 7.577 -19.159 1.00 0.00 O ATOM 795 CB GLN A 56 2.373 5.042 -20.465 1.00 0.00 C ATOM 796 CG GLN A 56 1.038 4.341 -20.207 1.00 0.00 C ATOM 797 CD GLN A 56 0.345 4.053 -21.540 1.00 0.00 C ATOM 798 OE1 GLN A 56 0.994 3.924 -22.559 1.00 0.00 O ATOM 799 NE2 GLN A 56 -0.955 3.945 -21.576 1.00 0.00 N ATOM 0 H GLN A 56 4.263 6.479 -20.824 1.00 0.00 H new ATOM 0 HA GLN A 56 1.374 6.775 -21.352 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.835 4.646 -21.369 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.063 4.848 -19.644 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.203 3.411 -19.663 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.401 4.967 -19.582 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.500 4.053 -20.720 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.426 3.752 -22.460 1.00 0.00 H new ATOM 808 N PHE A 57 2.511 7.177 -18.290 1.00 0.00 N ATOM 809 CA PHE A 57 2.106 7.746 -16.967 1.00 0.00 C ATOM 810 C PHE A 57 1.729 9.225 -17.115 1.00 0.00 C ATOM 811 O PHE A 57 0.679 9.657 -16.676 1.00 0.00 O ATOM 812 CB PHE A 57 3.343 7.591 -16.077 1.00 0.00 C ATOM 813 CG PHE A 57 3.070 8.180 -14.712 1.00 0.00 C ATOM 814 CD1 PHE A 57 1.916 7.815 -14.007 1.00 0.00 C ATOM 815 CD2 PHE A 57 3.973 9.092 -14.151 1.00 0.00 C ATOM 816 CE1 PHE A 57 1.666 8.362 -12.744 1.00 0.00 C ATOM 817 CE2 PHE A 57 3.723 9.638 -12.887 1.00 0.00 C ATOM 818 CZ PHE A 57 2.569 9.273 -12.183 1.00 0.00 C ATOM 0 H PHE A 57 3.470 6.832 -18.338 1.00 0.00 H new ATOM 0 HA PHE A 57 1.235 7.241 -16.549 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.604 6.537 -15.983 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.196 8.091 -16.535 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.219 7.111 -14.438 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.863 9.374 -14.694 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.776 8.081 -12.201 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.420 10.341 -12.455 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.376 9.694 -11.207 1.00 0.00 H new ATOM 828 N LYS A 58 2.582 10.001 -17.727 1.00 0.00 N ATOM 829 CA LYS A 58 2.287 11.451 -17.906 1.00 0.00 C ATOM 830 C LYS A 58 0.966 11.625 -18.665 1.00 0.00 C ATOM 831 O LYS A 58 0.252 12.590 -18.474 1.00 0.00 O ATOM 832 CB LYS A 58 3.474 12.019 -18.705 1.00 0.00 C ATOM 833 CG LYS A 58 3.331 11.701 -20.198 1.00 0.00 C ATOM 834 CD LYS A 58 2.620 12.859 -20.900 1.00 0.00 C ATOM 835 CE LYS A 58 3.661 13.820 -21.479 1.00 0.00 C ATOM 836 NZ LYS A 58 3.157 14.164 -22.839 1.00 0.00 N ATOM 0 H LYS A 58 3.474 9.691 -18.112 1.00 0.00 H new ATOM 0 HA LYS A 58 2.173 11.972 -16.956 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.530 13.098 -18.563 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.406 11.599 -18.327 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.313 11.540 -20.642 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.766 10.779 -20.332 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.979 12.478 -21.695 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.976 13.385 -20.196 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.763 14.711 -20.859 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.644 13.352 -21.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.961 14.363 -23.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.611 13.365 -23.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.547 15.004 -22.781 1.00 0.00 H new ATOM 850 N GLU A 59 0.632 10.689 -19.517 1.00 0.00 N ATOM 851 CA GLU A 59 -0.649 10.792 -20.274 1.00 0.00 C ATOM 852 C GLU A 59 -1.812 10.332 -19.391 1.00 0.00 C ATOM 853 O GLU A 59 -2.947 10.715 -19.593 1.00 0.00 O ATOM 854 CB GLU A 59 -0.481 9.855 -21.473 1.00 0.00 C ATOM 855 CG GLU A 59 -1.360 10.339 -22.631 1.00 0.00 C ATOM 856 CD GLU A 59 -0.474 10.835 -23.775 1.00 0.00 C ATOM 857 OE1 GLU A 59 0.495 10.160 -24.084 1.00 0.00 O ATOM 858 OE2 GLU A 59 -0.778 11.881 -24.324 1.00 0.00 O ATOM 0 H GLU A 59 1.191 9.860 -19.720 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.866 11.813 -20.587 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.564 9.828 -21.783 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.757 8.838 -21.194 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.000 9.528 -22.979 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.017 11.140 -22.292 1.00 0.00 H new ATOM 865 N ALA A 60 -1.534 9.514 -18.409 1.00 0.00 N ATOM 866 CA ALA A 60 -2.620 9.029 -17.507 1.00 0.00 C ATOM 867 C ALA A 60 -3.173 10.189 -16.677 1.00 0.00 C ATOM 868 O ALA A 60 -4.367 10.319 -16.493 1.00 0.00 O ATOM 869 CB ALA A 60 -1.955 7.991 -16.603 1.00 0.00 C ATOM 0 H ALA A 60 -0.602 9.161 -18.193 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.458 8.606 -18.061 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.692 7.587 -15.909 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.550 7.183 -17.213 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.148 8.461 -16.041 1.00 0.00 H new ATOM 875 N ILE A 61 -2.312 11.037 -16.174 1.00 0.00 N ATOM 876 CA ILE A 61 -2.791 12.192 -15.357 1.00 0.00 C ATOM 877 C ILE A 61 -3.704 13.087 -16.203 1.00 0.00 C ATOM 878 O ILE A 61 -4.676 13.629 -15.720 1.00 0.00 O ATOM 879 CB ILE A 61 -1.514 12.934 -14.929 1.00 0.00 C ATOM 880 CG1 ILE A 61 -0.937 12.258 -13.681 1.00 0.00 C ATOM 881 CG2 ILE A 61 -1.825 14.402 -14.602 1.00 0.00 C ATOM 882 CD1 ILE A 61 0.321 13.003 -13.225 1.00 0.00 C ATOM 0 H ILE A 61 -1.301 10.980 -16.294 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.377 11.883 -14.492 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.796 12.899 -15.748 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.679 12.254 -12.882 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.696 11.217 -13.898 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.909 14.910 -14.301 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.238 14.891 -15.484 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.549 14.448 -13.788 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.729 12.519 -12.337 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.064 12.984 -14.022 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.067 14.037 -12.991 1.00 0.00 H new ATOM 894 N SER A 62 -3.401 13.249 -17.461 1.00 0.00 N ATOM 895 CA SER A 62 -4.256 14.116 -18.326 1.00 0.00 C ATOM 896 C SER A 62 -5.723 13.674 -18.247 1.00 0.00 C ATOM 897 O SER A 62 -6.611 14.478 -18.044 1.00 0.00 O ATOM 898 CB SER A 62 -3.711 13.927 -19.742 1.00 0.00 C ATOM 899 OG SER A 62 -4.225 12.720 -20.290 1.00 0.00 O ATOM 0 H SER A 62 -2.602 12.821 -17.928 1.00 0.00 H new ATOM 0 HA SER A 62 -4.227 15.160 -18.015 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.994 14.773 -20.368 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.622 13.895 -19.723 1.00 0.00 H new ATOM 0 HG SER A 62 -3.519 12.040 -20.304 1.00 0.00 H new ATOM 905 N LYS A 63 -5.981 12.406 -18.416 1.00 0.00 N ATOM 906 CA LYS A 63 -7.391 11.914 -18.359 1.00 0.00 C ATOM 907 C LYS A 63 -7.966 12.025 -16.941 1.00 0.00 C ATOM 908 O LYS A 63 -9.022 12.592 -16.735 1.00 0.00 O ATOM 909 CB LYS A 63 -7.315 10.448 -18.792 1.00 0.00 C ATOM 910 CG LYS A 63 -8.726 9.856 -18.853 1.00 0.00 C ATOM 911 CD LYS A 63 -9.508 10.499 -20.002 1.00 0.00 C ATOM 912 CE LYS A 63 -8.836 10.159 -21.335 1.00 0.00 C ATOM 913 NZ LYS A 63 -9.795 10.622 -22.377 1.00 0.00 N ATOM 0 H LYS A 63 -5.278 11.688 -18.591 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.047 12.504 -18.999 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.835 10.371 -19.768 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.703 9.882 -18.090 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.672 8.777 -18.997 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.243 10.026 -17.909 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.537 10.140 -20.000 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.547 11.580 -19.868 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.874 10.662 -21.432 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.646 9.089 -21.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.405 10.423 -23.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.699 10.121 -22.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.951 11.645 -22.275 1.00 0.00 H new ATOM 927 N ARG A 64 -7.294 11.470 -15.963 1.00 0.00 N ATOM 928 CA ARG A 64 -7.824 11.528 -14.563 1.00 0.00 C ATOM 929 C ARG A 64 -7.714 12.944 -13.985 1.00 0.00 C ATOM 930 O ARG A 64 -8.683 13.508 -13.518 1.00 0.00 O ATOM 931 CB ARG A 64 -6.945 10.559 -13.771 1.00 0.00 C ATOM 932 CG ARG A 64 -7.816 9.743 -12.815 1.00 0.00 C ATOM 933 CD ARG A 64 -8.729 8.815 -13.621 1.00 0.00 C ATOM 934 NE ARG A 64 -8.738 7.530 -12.867 1.00 0.00 N ATOM 935 CZ ARG A 64 -9.482 6.538 -13.278 1.00 0.00 C ATOM 936 NH1 ARG A 64 -10.774 6.574 -13.100 1.00 0.00 N ATOM 937 NH2 ARG A 64 -8.933 5.512 -13.867 1.00 0.00 N ATOM 0 H ARG A 64 -6.405 10.981 -16.071 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.880 11.263 -14.521 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.413 9.894 -14.452 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.191 11.111 -13.211 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.188 9.158 -12.143 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.414 10.409 -12.193 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.734 9.228 -13.708 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.353 8.675 -14.635 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.164 7.425 -12.031 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.203 7.377 -12.640 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.355 5.799 -13.421 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.923 5.484 -14.007 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.514 4.737 -14.188 1.00 0.00 H new ATOM 951 N PHE A 65 -6.542 13.519 -14.011 1.00 0.00 N ATOM 952 CA PHE A 65 -6.370 14.898 -13.461 1.00 0.00 C ATOM 953 C PHE A 65 -7.119 15.908 -14.336 1.00 0.00 C ATOM 954 O PHE A 65 -7.677 16.871 -13.849 1.00 0.00 O ATOM 955 CB PHE A 65 -4.863 15.160 -13.487 1.00 0.00 C ATOM 956 CG PHE A 65 -4.400 15.609 -12.120 1.00 0.00 C ATOM 957 CD1 PHE A 65 -4.946 16.760 -11.538 1.00 0.00 C ATOM 958 CD2 PHE A 65 -3.425 14.874 -11.435 1.00 0.00 C ATOM 959 CE1 PHE A 65 -4.516 17.174 -10.272 1.00 0.00 C ATOM 960 CE2 PHE A 65 -2.996 15.287 -10.170 1.00 0.00 C ATOM 961 CZ PHE A 65 -3.541 16.438 -9.587 1.00 0.00 C ATOM 0 H PHE A 65 -5.695 13.095 -14.389 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.772 14.995 -12.452 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.332 14.255 -13.782 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.630 15.923 -14.229 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.698 17.328 -12.066 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.004 13.987 -11.884 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.936 18.062 -9.823 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.244 14.719 -9.642 1.00 0.00 H new ATOM 0 HZ PHE A 65 -3.210 16.758 -8.610 1.00 0.00 H new ATOM 971 N LYS A 66 -7.126 15.691 -15.628 1.00 0.00 N ATOM 972 CA LYS A 66 -7.829 16.630 -16.560 1.00 0.00 C ATOM 973 C LYS A 66 -7.120 17.986 -16.579 1.00 0.00 C ATOM 974 O LYS A 66 -7.523 18.922 -15.916 1.00 0.00 O ATOM 975 CB LYS A 66 -9.262 16.770 -16.021 1.00 0.00 C ATOM 976 CG LYS A 66 -10.263 16.368 -17.109 1.00 0.00 C ATOM 977 CD LYS A 66 -10.863 17.625 -17.745 1.00 0.00 C ATOM 978 CE LYS A 66 -12.285 17.324 -18.227 1.00 0.00 C ATOM 979 NZ LYS A 66 -13.087 18.516 -17.831 1.00 0.00 N ATOM 0 H LYS A 66 -6.672 14.898 -16.081 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.829 16.256 -17.584 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.393 16.140 -15.141 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.444 17.798 -15.707 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.766 15.765 -17.869 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -11.054 15.752 -16.680 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.878 18.440 -17.021 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.246 17.952 -18.582 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.312 17.171 -19.306 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.674 16.416 -17.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.075 18.384 -18.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.049 18.633 -16.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.698 19.364 -18.290 1.00 0.00 H new ATOM 993 N SER A 67 -6.065 18.094 -17.342 1.00 0.00 N ATOM 994 CA SER A 67 -5.318 19.383 -17.419 1.00 0.00 C ATOM 995 C SER A 67 -4.550 19.464 -18.742 1.00 0.00 C ATOM 996 O SER A 67 -4.832 20.293 -19.585 1.00 0.00 O ATOM 997 CB SER A 67 -4.349 19.351 -16.238 1.00 0.00 C ATOM 998 OG SER A 67 -5.089 19.255 -15.027 1.00 0.00 O ATOM 0 H SER A 67 -5.687 17.342 -17.918 1.00 0.00 H new ATOM 0 HA SER A 67 -5.979 20.249 -17.378 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.671 18.503 -16.332 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.735 20.251 -16.232 1.00 0.00 H new ATOM 0 HG SER A 67 -6.021 19.509 -15.192 1.00 0.00 H new ATOM 1004 N GLN A 68 -3.583 18.604 -18.928 1.00 0.00 N ATOM 1005 CA GLN A 68 -2.794 18.622 -20.195 1.00 0.00 C ATOM 1006 C GLN A 68 -1.902 17.380 -20.276 1.00 0.00 C ATOM 1007 O GLN A 68 -1.951 16.514 -19.423 1.00 0.00 O ATOM 1008 CB GLN A 68 -1.942 19.890 -20.120 1.00 0.00 C ATOM 1009 CG GLN A 68 -1.791 20.489 -21.521 1.00 0.00 C ATOM 1010 CD GLN A 68 -1.970 22.008 -21.452 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -2.991 22.529 -21.856 1.00 0.00 O ATOM 1012 NE2 GLN A 68 -1.015 22.743 -20.954 1.00 0.00 N ATOM 0 H GLN A 68 -3.305 17.889 -18.256 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.433 18.616 -21.078 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.408 20.614 -19.452 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.961 19.658 -19.705 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.809 20.246 -21.927 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -2.531 20.056 -22.194 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.158 22.305 -20.615 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.125 23.756 -20.903 1.00 0.00 H new ATOM 1021 N THR A 69 -1.088 17.285 -21.294 1.00 0.00 N ATOM 1022 CA THR A 69 -0.193 16.098 -21.425 1.00 0.00 C ATOM 1023 C THR A 69 1.184 16.524 -21.944 1.00 0.00 C ATOM 1024 O THR A 69 2.198 16.244 -21.336 1.00 0.00 O ATOM 1025 CB THR A 69 -0.888 15.184 -22.437 1.00 0.00 C ATOM 1026 OG1 THR A 69 -2.287 15.184 -22.191 1.00 0.00 O ATOM 1027 CG2 THR A 69 -0.343 13.759 -22.301 1.00 0.00 C ATOM 0 H THR A 69 -1.004 17.977 -22.039 1.00 0.00 H new ATOM 0 HA THR A 69 -0.031 15.599 -20.470 1.00 0.00 H new ATOM 0 HB THR A 69 -0.697 15.548 -23.446 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.733 14.600 -22.839 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.839 13.109 -23.022 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.730 13.760 -22.492 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.532 13.392 -21.292 1.00 0.00 H new ATOM 1035 N ASP A 70 1.227 17.197 -23.063 1.00 0.00 N ATOM 1036 CA ASP A 70 2.540 17.639 -23.621 1.00 0.00 C ATOM 1037 C ASP A 70 3.280 18.517 -22.608 1.00 0.00 C ATOM 1038 O ASP A 70 4.305 18.138 -22.075 1.00 0.00 O ATOM 1039 CB ASP A 70 2.191 18.446 -24.873 1.00 0.00 C ATOM 1040 CG ASP A 70 2.072 17.504 -26.072 1.00 0.00 C ATOM 1041 OD1 ASP A 70 2.929 16.646 -26.213 1.00 0.00 O ATOM 1042 OD2 ASP A 70 1.128 17.655 -26.829 1.00 0.00 O ATOM 0 H ASP A 70 0.411 17.460 -23.615 1.00 0.00 H new ATOM 0 HA ASP A 70 3.193 16.796 -23.848 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.253 18.981 -24.724 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.960 19.196 -25.061 1.00 0.00 H new ATOM 1047 N GLN A 71 2.764 19.686 -22.336 1.00 0.00 N ATOM 1048 CA GLN A 71 3.432 20.591 -21.354 1.00 0.00 C ATOM 1049 C GLN A 71 3.509 19.920 -19.980 1.00 0.00 C ATOM 1050 O GLN A 71 4.365 20.228 -19.175 1.00 0.00 O ATOM 1051 CB GLN A 71 2.545 21.836 -21.294 1.00 0.00 C ATOM 1052 CG GLN A 71 2.820 22.721 -22.512 1.00 0.00 C ATOM 1053 CD GLN A 71 1.519 23.387 -22.965 1.00 0.00 C ATOM 1054 OE1 GLN A 71 0.682 22.757 -23.579 1.00 0.00 O ATOM 1055 NE2 GLN A 71 1.314 24.646 -22.686 1.00 0.00 N ATOM 0 H GLN A 71 1.908 20.054 -22.751 1.00 0.00 H new ATOM 0 HA GLN A 71 4.454 20.832 -21.646 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.495 21.546 -21.272 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.741 22.391 -20.377 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.562 23.480 -22.263 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.236 22.123 -23.323 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.017 25.175 -22.170 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.451 25.100 -22.984 1.00 0.00 H new ATOM 1064 N LEU A 72 2.614 19.008 -19.707 1.00 0.00 N ATOM 1065 CA LEU A 72 2.622 18.315 -18.383 1.00 0.00 C ATOM 1066 C LEU A 72 4.002 17.713 -18.091 1.00 0.00 C ATOM 1067 O LEU A 72 4.314 16.616 -18.511 1.00 0.00 O ATOM 1068 CB LEU A 72 1.576 17.208 -18.510 1.00 0.00 C ATOM 1069 CG LEU A 72 1.266 16.639 -17.125 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -0.111 15.976 -17.144 1.00 0.00 C ATOM 1071 CD2 LEU A 72 2.327 15.600 -16.751 1.00 0.00 C ATOM 0 H LEU A 72 1.875 18.712 -20.345 1.00 0.00 H new ATOM 0 HA LEU A 72 2.401 19.001 -17.565 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.667 17.602 -18.965 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.944 16.419 -19.165 1.00 0.00 H new ATOM 0 HG LEU A 72 1.272 17.445 -16.391 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.333 15.570 -16.157 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.867 16.715 -17.411 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.117 15.170 -17.878 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.107 15.194 -15.764 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.321 14.794 -17.484 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.310 16.072 -16.738 1.00 0.00 H new ATOM 1083 N VAL A 73 4.823 18.421 -17.362 1.00 0.00 N ATOM 1084 CA VAL A 73 6.179 17.896 -17.026 1.00 0.00 C ATOM 1085 C VAL A 73 6.374 17.921 -15.509 1.00 0.00 C ATOM 1086 O VAL A 73 5.837 18.770 -14.825 1.00 0.00 O ATOM 1087 CB VAL A 73 7.155 18.853 -17.712 1.00 0.00 C ATOM 1088 CG1 VAL A 73 8.592 18.448 -17.379 1.00 0.00 C ATOM 1089 CG2 VAL A 73 6.948 18.793 -19.227 1.00 0.00 C ATOM 0 H VAL A 73 4.612 19.344 -16.983 1.00 0.00 H new ATOM 0 HA VAL A 73 6.327 16.867 -17.355 1.00 0.00 H new ATOM 0 HB VAL A 73 6.974 19.868 -17.358 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.285 19.131 -17.869 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.741 18.491 -16.300 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.774 17.432 -17.730 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.643 19.475 -19.717 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.128 17.777 -19.579 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.925 19.084 -19.466 1.00 0.00 H new ATOM 1099 N LEU A 74 7.134 17.003 -14.971 1.00 0.00 N ATOM 1100 CA LEU A 74 7.344 16.996 -13.495 1.00 0.00 C ATOM 1101 C LEU A 74 8.826 17.207 -13.173 1.00 0.00 C ATOM 1102 O LEU A 74 9.695 16.626 -13.793 1.00 0.00 O ATOM 1103 CB LEU A 74 6.876 15.617 -13.031 1.00 0.00 C ATOM 1104 CG LEU A 74 5.426 15.393 -13.461 1.00 0.00 C ATOM 1105 CD1 LEU A 74 5.403 14.718 -14.833 1.00 0.00 C ATOM 1106 CD2 LEU A 74 4.727 14.495 -12.439 1.00 0.00 C ATOM 0 H LEU A 74 7.614 16.264 -15.485 1.00 0.00 H new ATOM 0 HA LEU A 74 6.797 17.795 -12.994 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.515 14.843 -13.456 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.960 15.540 -11.947 1.00 0.00 H new ATOM 0 HG LEU A 74 4.909 16.351 -13.518 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.370 14.557 -15.142 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.904 15.356 -15.561 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.918 13.759 -14.775 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.693 14.334 -12.743 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.243 13.536 -12.384 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.747 14.974 -11.460 1.00 0.00 H new ATOM 1118 N ILE A 75 9.119 18.043 -12.212 1.00 0.00 N ATOM 1119 CA ILE A 75 10.543 18.302 -11.852 1.00 0.00 C ATOM 1120 C ILE A 75 11.030 17.276 -10.826 1.00 0.00 C ATOM 1121 O ILE A 75 10.742 17.375 -9.648 1.00 0.00 O ATOM 1122 CB ILE A 75 10.548 19.710 -11.251 1.00 0.00 C ATOM 1123 CG1 ILE A 75 10.032 20.715 -12.288 1.00 0.00 C ATOM 1124 CG2 ILE A 75 11.972 20.089 -10.840 1.00 0.00 C ATOM 1125 CD1 ILE A 75 10.881 20.631 -13.559 1.00 0.00 C ATOM 0 H ILE A 75 8.433 18.558 -11.661 1.00 0.00 H new ATOM 0 HA ILE A 75 11.207 18.223 -12.713 1.00 0.00 H new ATOM 0 HB ILE A 75 9.900 19.728 -10.374 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.988 20.506 -12.522 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.071 21.725 -11.880 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.973 21.092 -10.413 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.338 19.378 -10.099 1.00 0.00 H new ATOM 0 HG23 ILE A 75 12.621 20.067 -11.715 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.510 21.347 -14.292 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.919 20.862 -13.319 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.819 19.624 -13.972 1.00 0.00 H new ATOM 1137 N PHE A 76 11.769 16.293 -11.265 1.00 0.00 N ATOM 1138 CA PHE A 76 12.280 15.259 -10.317 1.00 0.00 C ATOM 1139 C PHE A 76 13.471 15.809 -9.524 1.00 0.00 C ATOM 1140 O PHE A 76 14.614 15.567 -9.857 1.00 0.00 O ATOM 1141 CB PHE A 76 12.717 14.088 -11.201 1.00 0.00 C ATOM 1142 CG PHE A 76 13.317 13.003 -10.339 1.00 0.00 C ATOM 1143 CD1 PHE A 76 12.509 12.287 -9.448 1.00 0.00 C ATOM 1144 CD2 PHE A 76 14.685 12.718 -10.428 1.00 0.00 C ATOM 1145 CE1 PHE A 76 13.069 11.286 -8.646 1.00 0.00 C ATOM 1146 CE2 PHE A 76 15.245 11.715 -9.626 1.00 0.00 C ATOM 1147 CZ PHE A 76 14.437 11.000 -8.735 1.00 0.00 C ATOM 0 H PHE A 76 12.041 16.161 -12.239 1.00 0.00 H new ATOM 0 HA PHE A 76 11.526 14.959 -9.589 1.00 0.00 H new ATOM 0 HB2 PHE A 76 11.863 13.697 -11.754 1.00 0.00 H new ATOM 0 HB3 PHE A 76 13.446 14.427 -11.938 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.454 12.507 -9.379 1.00 0.00 H new ATOM 0 HD2 PHE A 76 15.308 13.271 -11.115 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.446 10.734 -7.958 1.00 0.00 H new ATOM 0 HE2 PHE A 76 16.300 11.494 -9.695 1.00 0.00 H new ATOM 0 HZ PHE A 76 14.868 10.227 -8.116 1.00 0.00 H new ATOM 1157 N ALA A 77 13.209 16.542 -8.472 1.00 0.00 N ATOM 1158 CA ALA A 77 14.320 17.108 -7.645 1.00 0.00 C ATOM 1159 C ALA A 77 15.336 17.838 -8.531 1.00 0.00 C ATOM 1160 O ALA A 77 16.525 17.804 -8.282 1.00 0.00 O ATOM 1161 CB ALA A 77 14.970 15.898 -6.971 1.00 0.00 C ATOM 0 H ALA A 77 12.270 16.774 -8.148 1.00 0.00 H new ATOM 0 HA ALA A 77 13.957 17.836 -6.920 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.797 16.231 -6.344 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.232 15.385 -6.355 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.345 15.215 -7.733 1.00 0.00 H new ATOM 1167 N GLY A 78 14.876 18.497 -9.561 1.00 0.00 N ATOM 1168 CA GLY A 78 15.814 19.228 -10.461 1.00 0.00 C ATOM 1169 C GLY A 78 15.728 18.644 -11.872 1.00 0.00 C ATOM 1170 O GLY A 78 15.470 19.347 -12.829 1.00 0.00 O ATOM 0 H GLY A 78 13.891 18.561 -9.818 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.564 20.289 -10.479 1.00 0.00 H new ATOM 0 HA3 GLY A 78 16.834 19.147 -10.084 1.00 0.00 H new ATOM 1174 N LYS A 79 15.942 17.363 -12.007 1.00 0.00 N ATOM 1175 CA LYS A 79 15.872 16.729 -13.357 1.00 0.00 C ATOM 1176 C LYS A 79 14.475 16.918 -13.954 1.00 0.00 C ATOM 1177 O LYS A 79 13.667 17.667 -13.437 1.00 0.00 O ATOM 1178 CB LYS A 79 16.156 15.245 -13.118 1.00 0.00 C ATOM 1179 CG LYS A 79 17.657 14.981 -13.267 1.00 0.00 C ATOM 1180 CD LYS A 79 18.095 13.920 -12.254 1.00 0.00 C ATOM 1181 CE LYS A 79 18.856 14.588 -11.105 1.00 0.00 C ATOM 1182 NZ LYS A 79 20.293 14.313 -11.382 1.00 0.00 N ATOM 0 H LYS A 79 16.163 16.727 -11.241 1.00 0.00 H new ATOM 0 HA LYS A 79 16.582 17.170 -14.057 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.822 14.956 -12.121 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.597 14.638 -13.830 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.879 14.645 -14.280 1.00 0.00 H new ATOM 0 HG3 LYS A 79 18.216 15.903 -13.108 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.224 13.391 -11.867 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.729 13.178 -12.740 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.659 15.659 -11.071 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.555 14.178 -10.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 20.878 14.740 -10.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.452 13.285 -11.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 20.553 14.721 -12.303 1.00 0.00 H new ATOM 1196 N ILE A 80 14.181 16.244 -15.033 1.00 0.00 N ATOM 1197 CA ILE A 80 12.829 16.389 -15.653 1.00 0.00 C ATOM 1198 C ILE A 80 12.088 15.057 -15.647 1.00 0.00 C ATOM 1199 O ILE A 80 12.229 14.262 -16.555 1.00 0.00 O ATOM 1200 CB ILE A 80 13.033 16.858 -17.110 1.00 0.00 C ATOM 1201 CG1 ILE A 80 14.431 16.489 -17.629 1.00 0.00 C ATOM 1202 CG2 ILE A 80 12.858 18.375 -17.181 1.00 0.00 C ATOM 1203 CD1 ILE A 80 14.534 14.973 -17.802 1.00 0.00 C ATOM 0 H ILE A 80 14.813 15.602 -15.511 1.00 0.00 H new ATOM 0 HA ILE A 80 12.236 17.108 -15.088 1.00 0.00 H new ATOM 0 HB ILE A 80 12.293 16.358 -17.734 1.00 0.00 H new ATOM 0 HG12 ILE A 80 14.619 16.987 -18.580 1.00 0.00 H new ATOM 0 HG13 ILE A 80 15.192 16.837 -16.931 1.00 0.00 H new ATOM 0 HG21 ILE A 80 13.001 18.710 -18.208 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.855 18.641 -16.849 1.00 0.00 H new ATOM 0 HG23 ILE A 80 13.593 18.857 -16.536 1.00 0.00 H new ATOM 0 HD11 ILE A 80 15.527 14.715 -18.170 1.00 0.00 H new ATOM 0 HD12 ILE A 80 14.365 14.485 -16.842 1.00 0.00 H new ATOM 0 HD13 ILE A 80 13.783 14.637 -18.517 1.00 0.00 H new ATOM 1215 N LEU A 81 11.273 14.815 -14.655 1.00 0.00 N ATOM 1216 CA LEU A 81 10.502 13.544 -14.644 1.00 0.00 C ATOM 1217 C LEU A 81 9.511 13.603 -15.804 1.00 0.00 C ATOM 1218 O LEU A 81 8.347 13.922 -15.634 1.00 0.00 O ATOM 1219 CB LEU A 81 9.780 13.504 -13.295 1.00 0.00 C ATOM 1220 CG LEU A 81 9.935 12.112 -12.678 1.00 0.00 C ATOM 1221 CD1 LEU A 81 9.787 12.201 -11.156 1.00 0.00 C ATOM 1222 CD2 LEU A 81 8.853 11.185 -13.239 1.00 0.00 C ATOM 0 H LEU A 81 11.111 15.436 -13.862 1.00 0.00 H new ATOM 0 HA LEU A 81 11.120 12.654 -14.761 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.193 14.259 -12.626 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.724 13.740 -13.428 1.00 0.00 H new ATOM 0 HG LEU A 81 10.921 11.717 -12.922 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.898 11.208 -10.721 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.555 12.861 -10.754 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.802 12.597 -10.909 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.961 10.193 -12.801 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.869 11.584 -12.994 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.958 11.117 -14.322 1.00 0.00 H new ATOM 1234 N LYS A 82 9.989 13.343 -16.988 1.00 0.00 N ATOM 1235 CA LYS A 82 9.117 13.416 -18.188 1.00 0.00 C ATOM 1236 C LYS A 82 9.384 12.229 -19.112 1.00 0.00 C ATOM 1237 O LYS A 82 9.906 11.211 -18.701 1.00 0.00 O ATOM 1238 CB LYS A 82 9.525 14.723 -18.871 1.00 0.00 C ATOM 1239 CG LYS A 82 8.315 15.340 -19.569 1.00 0.00 C ATOM 1240 CD LYS A 82 8.768 16.063 -20.842 1.00 0.00 C ATOM 1241 CE LYS A 82 9.752 17.179 -20.480 1.00 0.00 C ATOM 1242 NZ LYS A 82 9.556 18.223 -21.525 1.00 0.00 N ATOM 0 H LYS A 82 10.957 13.081 -17.175 1.00 0.00 H new ATOM 0 HA LYS A 82 8.057 13.387 -17.937 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.926 15.419 -18.135 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.317 14.534 -19.595 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.591 14.564 -19.818 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.814 16.040 -18.900 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.240 15.356 -21.525 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.905 16.480 -21.361 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.550 17.575 -19.485 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.779 16.813 -20.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.198 19.021 -21.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.762 17.820 -22.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.572 18.558 -21.501 1.00 0.00 H new ATOM 1256 N ASP A 83 9.034 12.357 -20.359 1.00 0.00 N ATOM 1257 CA ASP A 83 9.266 11.240 -21.321 1.00 0.00 C ATOM 1258 C ASP A 83 10.755 11.130 -21.656 1.00 0.00 C ATOM 1259 O ASP A 83 11.207 10.136 -22.192 1.00 0.00 O ATOM 1260 CB ASP A 83 8.439 11.588 -22.563 1.00 0.00 C ATOM 1261 CG ASP A 83 8.817 12.980 -23.085 1.00 0.00 C ATOM 1262 OD1 ASP A 83 9.834 13.501 -22.659 1.00 0.00 O ATOM 1263 OD2 ASP A 83 8.078 13.501 -23.905 1.00 0.00 O ATOM 0 H ASP A 83 8.596 13.188 -20.757 1.00 0.00 H new ATOM 0 HA ASP A 83 8.969 10.275 -20.910 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.608 10.843 -23.341 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.377 11.560 -22.320 1.00 0.00 H new ATOM 1268 N GLN A 84 11.523 12.139 -21.335 1.00 0.00 N ATOM 1269 CA GLN A 84 12.987 12.088 -21.625 1.00 0.00 C ATOM 1270 C GLN A 84 13.599 10.843 -20.977 1.00 0.00 C ATOM 1271 O GLN A 84 14.530 10.256 -21.493 1.00 0.00 O ATOM 1272 CB GLN A 84 13.568 13.362 -21.003 1.00 0.00 C ATOM 1273 CG GLN A 84 14.227 14.211 -22.093 1.00 0.00 C ATOM 1274 CD GLN A 84 13.145 14.884 -22.940 1.00 0.00 C ATOM 1275 OE1 GLN A 84 12.056 15.138 -22.466 1.00 0.00 O ATOM 1276 NE2 GLN A 84 13.402 15.185 -24.183 1.00 0.00 N ATOM 0 H GLN A 84 11.200 12.995 -20.885 1.00 0.00 H new ATOM 0 HA GLN A 84 13.197 12.033 -22.693 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.779 13.931 -20.512 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.299 13.104 -20.237 1.00 0.00 H new ATOM 0 HG2 GLN A 84 14.872 14.965 -21.641 1.00 0.00 H new ATOM 0 HG3 GLN A 84 14.860 13.586 -22.723 1.00 0.00 H new ATOM 0 HE21 GLN A 84 14.317 14.972 -24.581 1.00 0.00 H new ATOM 0 HE22 GLN A 84 12.688 15.634 -24.757 1.00 0.00 H new ATOM 1285 N ASP A 85 13.079 10.439 -19.847 1.00 0.00 N ATOM 1286 CA ASP A 85 13.630 9.231 -19.164 1.00 0.00 C ATOM 1287 C ASP A 85 12.490 8.358 -18.636 1.00 0.00 C ATOM 1288 O ASP A 85 11.407 8.838 -18.367 1.00 0.00 O ATOM 1289 CB ASP A 85 14.474 9.775 -18.008 1.00 0.00 C ATOM 1290 CG ASP A 85 13.601 10.634 -17.089 1.00 0.00 C ATOM 1291 OD1 ASP A 85 13.459 11.812 -17.372 1.00 0.00 O ATOM 1292 OD2 ASP A 85 13.092 10.099 -16.118 1.00 0.00 O ATOM 0 H ASP A 85 12.300 10.891 -19.369 1.00 0.00 H new ATOM 0 HA ASP A 85 14.220 8.609 -19.837 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.910 8.950 -17.444 1.00 0.00 H new ATOM 0 HB3 ASP A 85 15.302 10.368 -18.397 1.00 0.00 H new ATOM 1297 N THR A 86 12.723 7.080 -18.483 1.00 0.00 N ATOM 1298 CA THR A 86 11.645 6.187 -17.969 1.00 0.00 C ATOM 1299 C THR A 86 11.385 6.484 -16.491 1.00 0.00 C ATOM 1300 O THR A 86 12.284 6.840 -15.751 1.00 0.00 O ATOM 1301 CB THR A 86 12.172 4.759 -18.144 1.00 0.00 C ATOM 1302 OG1 THR A 86 13.180 4.736 -19.147 1.00 0.00 O ATOM 1303 CG2 THR A 86 11.023 3.837 -18.553 1.00 0.00 C ATOM 0 H THR A 86 13.609 6.619 -18.691 1.00 0.00 H new ATOM 0 HA THR A 86 10.705 6.333 -18.501 1.00 0.00 H new ATOM 0 HB THR A 86 12.597 4.415 -17.201 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.515 3.821 -19.254 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.398 2.821 -18.677 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.255 3.848 -17.780 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.596 4.184 -19.494 1.00 0.00 H new ATOM 1311 N LEU A 87 10.163 6.342 -16.058 1.00 0.00 N ATOM 1312 CA LEU A 87 9.843 6.619 -14.629 1.00 0.00 C ATOM 1313 C LEU A 87 10.736 5.773 -13.717 1.00 0.00 C ATOM 1314 O LEU A 87 11.321 6.268 -12.774 1.00 0.00 O ATOM 1315 CB LEU A 87 8.369 6.227 -14.479 1.00 0.00 C ATOM 1316 CG LEU A 87 7.812 6.759 -13.158 1.00 0.00 C ATOM 1317 CD1 LEU A 87 8.074 8.266 -13.045 1.00 0.00 C ATOM 1318 CD2 LEU A 87 6.303 6.503 -13.102 1.00 0.00 C ATOM 0 H LEU A 87 9.373 6.046 -16.631 1.00 0.00 H new ATOM 0 HA LEU A 87 10.014 7.659 -14.351 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.792 6.627 -15.313 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.268 5.142 -14.514 1.00 0.00 H new ATOM 0 HG LEU A 87 8.305 6.247 -12.332 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.674 8.635 -12.101 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.147 8.452 -13.082 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.588 8.783 -13.872 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.904 6.882 -12.161 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.816 7.013 -13.933 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.113 5.432 -13.172 1.00 0.00 H new ATOM 1330 N ILE A 88 10.858 4.506 -14.003 1.00 0.00 N ATOM 1331 CA ILE A 88 11.731 3.630 -13.166 1.00 0.00 C ATOM 1332 C ILE A 88 13.208 3.938 -13.426 1.00 0.00 C ATOM 1333 O ILE A 88 14.078 3.519 -12.687 1.00 0.00 O ATOM 1334 CB ILE A 88 11.415 2.200 -13.609 1.00 0.00 C ATOM 1335 CG1 ILE A 88 11.610 2.070 -15.127 1.00 0.00 C ATOM 1336 CG2 ILE A 88 9.970 1.868 -13.253 1.00 0.00 C ATOM 1337 CD1 ILE A 88 12.654 0.991 -15.423 1.00 0.00 C ATOM 0 H ILE A 88 10.392 4.038 -14.780 1.00 0.00 H new ATOM 0 HA ILE A 88 11.550 3.783 -12.102 1.00 0.00 H new ATOM 0 HB ILE A 88 12.087 1.509 -13.100 1.00 0.00 H new ATOM 0 HG12 ILE A 88 10.664 1.815 -15.604 1.00 0.00 H new ATOM 0 HG13 ILE A 88 11.931 3.024 -15.545 1.00 0.00 H new ATOM 0 HG21 ILE A 88 9.743 0.850 -13.568 1.00 0.00 H new ATOM 0 HG22 ILE A 88 9.832 1.954 -12.175 1.00 0.00 H new ATOM 0 HG23 ILE A 88 9.301 2.563 -13.761 1.00 0.00 H new ATOM 0 HD11 ILE A 88 12.789 0.902 -16.501 1.00 0.00 H new ATOM 0 HD12 ILE A 88 13.602 1.265 -14.960 1.00 0.00 H new ATOM 0 HD13 ILE A 88 12.315 0.037 -15.020 1.00 0.00 H new ATOM 1349 N GLN A 89 13.500 4.642 -14.487 1.00 0.00 N ATOM 1350 CA GLN A 89 14.922 4.947 -14.812 1.00 0.00 C ATOM 1351 C GLN A 89 15.417 6.198 -14.081 1.00 0.00 C ATOM 1352 O GLN A 89 16.605 6.454 -14.039 1.00 0.00 O ATOM 1353 CB GLN A 89 14.937 5.175 -16.324 1.00 0.00 C ATOM 1354 CG GLN A 89 16.379 5.371 -16.800 1.00 0.00 C ATOM 1355 CD GLN A 89 17.167 4.075 -16.594 1.00 0.00 C ATOM 1356 OE1 GLN A 89 16.593 3.009 -16.501 1.00 0.00 O ATOM 1357 NE2 GLN A 89 18.469 4.123 -16.520 1.00 0.00 N ATOM 0 H GLN A 89 12.815 5.019 -15.142 1.00 0.00 H new ATOM 0 HA GLN A 89 15.582 4.138 -14.500 1.00 0.00 H new ATOM 0 HB2 GLN A 89 14.487 4.323 -16.835 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.338 6.050 -16.576 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.390 5.652 -17.853 1.00 0.00 H new ATOM 0 HG3 GLN A 89 16.848 6.185 -16.248 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.952 5.018 -16.598 1.00 0.00 H new ATOM 0 HE22 GLN A 89 19.004 3.265 -16.384 1.00 0.00 H new ATOM 1366 N HIS A 90 14.543 6.990 -13.509 1.00 0.00 N ATOM 1367 CA HIS A 90 15.036 8.215 -12.806 1.00 0.00 C ATOM 1368 C HIS A 90 13.918 8.875 -12.008 1.00 0.00 C ATOM 1369 O HIS A 90 14.123 9.348 -10.907 1.00 0.00 O ATOM 1370 CB HIS A 90 15.501 9.147 -13.927 1.00 0.00 C ATOM 1371 CG HIS A 90 16.877 9.669 -13.614 1.00 0.00 C ATOM 1372 ND1 HIS A 90 18.026 9.017 -14.032 1.00 0.00 N ATOM 1373 CD2 HIS A 90 17.303 10.778 -12.928 1.00 0.00 C ATOM 1374 CE1 HIS A 90 19.079 9.733 -13.597 1.00 0.00 C ATOM 1375 NE2 HIS A 90 18.694 10.817 -12.918 1.00 0.00 N ATOM 0 H HIS A 90 13.533 6.847 -13.497 1.00 0.00 H new ATOM 0 HA HIS A 90 15.830 7.982 -12.096 1.00 0.00 H new ATOM 0 HB2 HIS A 90 15.512 8.612 -14.877 1.00 0.00 H new ATOM 0 HB3 HIS A 90 14.803 9.977 -14.036 1.00 0.00 H new ATOM 0 HD1 HIS A 90 18.066 8.152 -14.571 1.00 0.00 H new ATOM 0 HD2 HIS A 90 16.657 11.510 -12.466 1.00 0.00 H new ATOM 0 HE1 HIS A 90 20.110 9.464 -13.775 1.00 0.00 H new ATOM 1383 N GLY A 91 12.742 8.928 -12.560 1.00 0.00 N ATOM 1384 CA GLY A 91 11.614 9.577 -11.843 1.00 0.00 C ATOM 1385 C GLY A 91 11.363 8.875 -10.510 1.00 0.00 C ATOM 1386 O GLY A 91 11.195 9.515 -9.490 1.00 0.00 O ATOM 0 H GLY A 91 12.512 8.549 -13.479 1.00 0.00 H new ATOM 0 HA2 GLY A 91 11.840 10.629 -11.671 1.00 0.00 H new ATOM 0 HA3 GLY A 91 10.714 9.540 -12.457 1.00 0.00 H new ATOM 1390 N ILE A 92 11.310 7.569 -10.502 1.00 0.00 N ATOM 1391 CA ILE A 92 11.036 6.852 -9.222 1.00 0.00 C ATOM 1392 C ILE A 92 11.938 5.629 -9.066 1.00 0.00 C ATOM 1393 O ILE A 92 12.224 4.925 -10.015 1.00 0.00 O ATOM 1394 CB ILE A 92 9.573 6.396 -9.308 1.00 0.00 C ATOM 1395 CG1 ILE A 92 8.785 7.301 -10.267 1.00 0.00 C ATOM 1396 CG2 ILE A 92 8.940 6.434 -7.914 1.00 0.00 C ATOM 1397 CD1 ILE A 92 8.617 8.700 -9.666 1.00 0.00 C ATOM 0 H ILE A 92 11.443 6.972 -11.318 1.00 0.00 H new ATOM 0 HA ILE A 92 11.225 7.502 -8.368 1.00 0.00 H new ATOM 0 HB ILE A 92 9.543 5.376 -9.691 1.00 0.00 H new ATOM 0 HG12 ILE A 92 9.305 7.369 -11.222 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.806 6.865 -10.467 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.901 6.110 -7.977 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.488 5.768 -7.247 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.980 7.451 -7.524 1.00 0.00 H new ATOM 0 HD11 ILE A 92 8.057 9.328 -10.358 1.00 0.00 H new ATOM 0 HD12 ILE A 92 8.076 8.628 -8.722 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.598 9.140 -9.489 1.00 0.00 H new ATOM 1409 N HIS A 93 12.356 5.357 -7.862 1.00 0.00 N ATOM 1410 CA HIS A 93 13.205 4.162 -7.609 1.00 0.00 C ATOM 1411 C HIS A 93 12.378 3.132 -6.838 1.00 0.00 C ATOM 1412 O HIS A 93 12.522 1.940 -7.013 1.00 0.00 O ATOM 1413 CB HIS A 93 14.371 4.668 -6.759 1.00 0.00 C ATOM 1414 CG HIS A 93 15.298 5.488 -7.614 1.00 0.00 C ATOM 1415 ND1 HIS A 93 15.062 6.483 -8.529 1.00 0.00 N flip ATOM 1416 CD2 HIS A 93 16.674 5.322 -7.581 1.00 0.00 C flip ATOM 1417 CE1 HIS A 93 16.270 6.930 -9.057 1.00 0.00 C flip ATOM 1418 NE2 HIS A 93 17.208 6.197 -8.452 1.00 0.00 N flip ATOM 0 H HIS A 93 12.144 5.917 -7.036 1.00 0.00 H new ATOM 0 HA HIS A 93 13.563 3.689 -8.523 1.00 0.00 H new ATOM 0 HB2 HIS A 93 13.997 5.269 -5.930 1.00 0.00 H new ATOM 0 HB3 HIS A 93 14.910 3.826 -6.324 1.00 0.00 H new ATOM 0 HD2 HIS A 93 17.218 4.619 -6.968 1.00 0.00 H new ATOM 0 HE1 HIS A 93 16.417 7.703 -9.797 1.00 0.00 H new ATOM 0 HE2 HIS A 93 18.208 6.289 -8.629 1.00 0.00 H new ATOM 1426 N ASP A 94 11.498 3.605 -5.992 1.00 0.00 N ATOM 1427 CA ASP A 94 10.625 2.692 -5.195 1.00 0.00 C ATOM 1428 C ASP A 94 9.697 3.521 -4.302 1.00 0.00 C ATOM 1429 O ASP A 94 9.394 3.145 -3.186 1.00 0.00 O ATOM 1430 CB ASP A 94 11.576 1.846 -4.342 1.00 0.00 C ATOM 1431 CG ASP A 94 12.468 2.761 -3.499 1.00 0.00 C ATOM 1432 OD1 ASP A 94 11.999 3.236 -2.478 1.00 0.00 O ATOM 1433 OD2 ASP A 94 13.604 2.971 -3.890 1.00 0.00 O ATOM 0 H ASP A 94 11.346 4.598 -5.818 1.00 0.00 H new ATOM 0 HA ASP A 94 9.998 2.064 -5.829 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.004 1.182 -3.694 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.190 1.214 -4.984 1.00 0.00 H new ATOM 1438 N GLY A 95 9.250 4.650 -4.788 1.00 0.00 N ATOM 1439 CA GLY A 95 8.346 5.513 -3.973 1.00 0.00 C ATOM 1440 C GLY A 95 9.014 6.870 -3.736 1.00 0.00 C ATOM 1441 O GLY A 95 9.446 7.176 -2.642 1.00 0.00 O ATOM 0 H GLY A 95 9.473 5.011 -5.715 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.394 5.649 -4.487 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.128 5.032 -3.020 1.00 0.00 H new ATOM 1445 N LEU A 96 9.103 7.688 -4.754 1.00 0.00 N ATOM 1446 CA LEU A 96 9.745 9.025 -4.585 1.00 0.00 C ATOM 1447 C LEU A 96 8.713 10.138 -4.788 1.00 0.00 C ATOM 1448 O LEU A 96 7.547 9.882 -5.020 1.00 0.00 O ATOM 1449 CB LEU A 96 10.824 9.090 -5.670 1.00 0.00 C ATOM 1450 CG LEU A 96 12.211 9.018 -5.023 1.00 0.00 C ATOM 1451 CD1 LEU A 96 13.121 8.119 -5.862 1.00 0.00 C ATOM 1452 CD2 LEU A 96 12.812 10.423 -4.949 1.00 0.00 C ATOM 0 H LEU A 96 8.759 7.487 -5.693 1.00 0.00 H new ATOM 0 HA LEU A 96 10.163 9.157 -3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 96 10.697 8.267 -6.373 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.725 10.014 -6.240 1.00 0.00 H new ATOM 0 HG LEU A 96 12.121 8.606 -4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 96 14.107 8.068 -5.401 1.00 0.00 H new ATOM 0 HD12 LEU A 96 12.694 7.118 -5.916 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.211 8.530 -6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 96 13.799 10.373 -4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 96 12.901 10.834 -5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 96 12.165 11.064 -4.351 1.00 0.00 H new ATOM 1464 N THR A 97 9.135 11.372 -4.702 1.00 0.00 N ATOM 1465 CA THR A 97 8.182 12.506 -4.890 1.00 0.00 C ATOM 1466 C THR A 97 8.690 13.447 -5.985 1.00 0.00 C ATOM 1467 O THR A 97 9.880 13.631 -6.154 1.00 0.00 O ATOM 1468 CB THR A 97 8.149 13.222 -3.539 1.00 0.00 C ATOM 1469 OG1 THR A 97 8.035 12.262 -2.498 1.00 0.00 O ATOM 1470 CG2 THR A 97 6.952 14.173 -3.492 1.00 0.00 C ATOM 0 H THR A 97 10.099 11.644 -4.510 1.00 0.00 H new ATOM 0 HA THR A 97 7.192 12.168 -5.197 1.00 0.00 H new ATOM 0 HB THR A 97 9.068 13.793 -3.408 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.016 12.720 -1.632 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.930 14.683 -2.529 1.00 0.00 H new ATOM 0 HG22 THR A 97 7.041 14.910 -4.290 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.031 13.605 -3.624 1.00 0.00 H new ATOM 1478 N VAL A 98 7.799 14.042 -6.731 1.00 0.00 N ATOM 1479 CA VAL A 98 8.232 14.972 -7.815 1.00 0.00 C ATOM 1480 C VAL A 98 7.269 16.160 -7.916 1.00 0.00 C ATOM 1481 O VAL A 98 6.098 16.052 -7.606 1.00 0.00 O ATOM 1482 CB VAL A 98 8.193 14.134 -9.097 1.00 0.00 C ATOM 1483 CG1 VAL A 98 6.773 13.609 -9.329 1.00 0.00 C ATOM 1484 CG2 VAL A 98 8.614 15.004 -10.283 1.00 0.00 C ATOM 0 H VAL A 98 6.790 13.925 -6.637 1.00 0.00 H new ATOM 0 HA VAL A 98 9.223 15.387 -7.630 1.00 0.00 H new ATOM 0 HB VAL A 98 8.877 13.291 -8.999 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.750 13.014 -10.242 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.471 12.990 -8.484 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.086 14.449 -9.426 1.00 0.00 H new ATOM 0 HG21 VAL A 98 8.587 14.411 -11.197 1.00 0.00 H new ATOM 0 HG22 VAL A 98 7.929 15.847 -10.377 1.00 0.00 H new ATOM 0 HG23 VAL A 98 9.626 15.375 -10.121 1.00 0.00 H new ATOM 1494 N HIS A 99 7.757 17.292 -8.349 1.00 0.00 N ATOM 1495 CA HIS A 99 6.876 18.490 -8.474 1.00 0.00 C ATOM 1496 C HIS A 99 6.255 18.548 -9.873 1.00 0.00 C ATOM 1497 O HIS A 99 6.879 18.190 -10.853 1.00 0.00 O ATOM 1498 CB HIS A 99 7.803 19.689 -8.249 1.00 0.00 C ATOM 1499 CG HIS A 99 7.459 20.355 -6.944 1.00 0.00 C ATOM 1500 ND1 HIS A 99 6.774 21.558 -6.887 1.00 0.00 N ATOM 1501 CD2 HIS A 99 7.699 19.997 -5.641 1.00 0.00 C ATOM 1502 CE1 HIS A 99 6.627 21.879 -5.588 1.00 0.00 C ATOM 1503 NE2 HIS A 99 7.173 20.961 -4.786 1.00 0.00 N ATOM 0 H HIS A 99 8.729 17.439 -8.622 1.00 0.00 H new ATOM 0 HA HIS A 99 6.051 18.472 -7.761 1.00 0.00 H new ATOM 0 HB2 HIS A 99 8.842 19.361 -8.239 1.00 0.00 H new ATOM 0 HB3 HIS A 99 7.701 20.399 -9.069 1.00 0.00 H new ATOM 0 HD2 HIS A 99 8.217 19.103 -5.327 1.00 0.00 H new ATOM 0 HE1 HIS A 99 6.128 22.770 -5.237 1.00 0.00 H new ATOM 0 HE2 HIS A 99 7.199 20.965 -3.766 1.00 0.00 H new ATOM 1511 N LEU A 100 5.032 18.999 -9.975 1.00 0.00 N ATOM 1512 CA LEU A 100 4.376 19.084 -11.313 1.00 0.00 C ATOM 1513 C LEU A 100 4.494 20.507 -11.865 1.00 0.00 C ATOM 1514 O LEU A 100 4.020 21.455 -11.270 1.00 0.00 O ATOM 1515 CB LEU A 100 2.909 18.723 -11.065 1.00 0.00 C ATOM 1516 CG LEU A 100 2.131 18.804 -12.383 1.00 0.00 C ATOM 1517 CD1 LEU A 100 1.140 17.641 -12.470 1.00 0.00 C ATOM 1518 CD2 LEU A 100 1.367 20.129 -12.444 1.00 0.00 C ATOM 0 H LEU A 100 4.460 19.312 -9.191 1.00 0.00 H new ATOM 0 HA LEU A 100 4.838 18.418 -12.042 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.836 17.718 -10.649 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.475 19.403 -10.332 1.00 0.00 H new ATOM 0 HG LEU A 100 2.830 18.746 -13.218 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.589 17.702 -13.408 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.683 16.697 -12.429 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.442 17.695 -11.635 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.814 20.187 -13.381 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.671 20.186 -11.607 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.072 20.958 -12.387 1.00 0.00 H new ATOM 1530 N VAL A 101 5.122 20.662 -13.000 1.00 0.00 N ATOM 1531 CA VAL A 101 5.271 22.023 -13.593 1.00 0.00 C ATOM 1532 C VAL A 101 5.067 21.960 -15.110 1.00 0.00 C ATOM 1533 O VAL A 101 5.679 21.164 -15.796 1.00 0.00 O ATOM 1534 CB VAL A 101 6.703 22.449 -13.260 1.00 0.00 C ATOM 1535 CG1 VAL A 101 6.953 23.861 -13.789 1.00 0.00 C ATOM 1536 CG2 VAL A 101 6.899 22.435 -11.741 1.00 0.00 C ATOM 0 H VAL A 101 5.538 19.905 -13.542 1.00 0.00 H new ATOM 0 HA VAL A 101 4.538 22.728 -13.201 1.00 0.00 H new ATOM 0 HB VAL A 101 7.404 21.756 -13.726 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.973 24.163 -13.551 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.813 23.875 -14.870 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.252 24.553 -13.324 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.919 22.738 -11.503 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.197 23.128 -11.277 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.721 21.429 -11.360 1.00 0.00 H new ATOM 1546 N ILE A 102 4.211 22.795 -15.638 1.00 0.00 N ATOM 1547 CA ILE A 102 3.967 22.784 -17.112 1.00 0.00 C ATOM 1548 C ILE A 102 4.658 23.981 -17.772 1.00 0.00 C ATOM 1549 O ILE A 102 4.518 25.108 -17.336 1.00 0.00 O ATOM 1550 CB ILE A 102 2.444 22.875 -17.276 1.00 0.00 C ATOM 1551 CG1 ILE A 102 1.945 24.233 -16.770 1.00 0.00 C ATOM 1552 CG2 ILE A 102 1.771 21.757 -16.477 1.00 0.00 C ATOM 1553 CD1 ILE A 102 1.843 25.205 -17.945 1.00 0.00 C ATOM 0 H ILE A 102 3.671 23.483 -15.114 1.00 0.00 H new ATOM 0 HA ILE A 102 4.367 21.888 -17.586 1.00 0.00 H new ATOM 0 HB ILE A 102 2.194 22.769 -18.332 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.972 24.120 -16.291 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.627 24.626 -16.016 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.690 21.825 -16.596 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.116 20.790 -16.843 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.027 21.859 -15.422 1.00 0.00 H new ATOM 0 HD11 ILE A 102 1.488 26.172 -17.588 1.00 0.00 H new ATOM 0 HD12 ILE A 102 2.824 25.326 -18.404 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.143 24.812 -18.683 1.00 0.00 H new