USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 497 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 THR OG1 : rot 120:sc= -2.37! USER MOD Set 1.2: A 80 HIS : no HE2:sc= -25.1! C(o=-27!,f=-35!) USER MOD Single : A 24 LYS NZ :NH3+ -149:sc= -0.131 (180deg=-1.59!) USER MOD Single : A 33 LYS NZ :NH3+ -120:sc= 0.862 (180deg=-1.37) USER MOD Single : A 38 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.26) USER MOD Single : A 39 MET CE :methyl -144:sc= -2.24! (180deg=-4.25!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 76:sc= 1.4 USER MOD Single : A 64 GLN : amide:sc= -1.44 K(o=-1.4,f=-0.021) USER MOD Single : A 65 THR OG1 : rot 158:sc= 0.386 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.53) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -6.73! C(o=-6.7!,f=-18!) USER MOD Single : A 79 SER OG : rot 23:sc= 0.886 USER MOD Single : A 83 ASN : amide:sc= -0.556 K(o=-0.56,f=0.18) USER MOD Single : A 84 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.135) USER MOD Single : A 86 GLN : amide:sc= -1.02 K(o=-1,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 353 N LEU A 21 -1.272 -1.812 -5.013 1.00 0.00 N ATOM 354 CA LEU A 21 -1.584 -0.581 -4.228 1.00 0.00 C ATOM 355 C LEU A 21 -0.687 0.583 -4.668 1.00 0.00 C ATOM 356 O LEU A 21 0.468 0.406 -4.995 1.00 0.00 O ATOM 357 CB LEU A 21 -1.355 -0.927 -2.744 1.00 0.00 C ATOM 358 CG LEU A 21 -0.144 -1.854 -2.551 1.00 0.00 C ATOM 359 CD1 LEU A 21 -0.518 -3.288 -2.932 1.00 0.00 C ATOM 360 CD2 LEU A 21 1.033 -1.379 -3.407 1.00 0.00 C ATOM 0 HA LEU A 21 -2.614 -0.264 -4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.203 -0.009 -2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.247 -1.407 -2.341 1.00 0.00 H new ATOM 0 HG LEU A 21 0.152 -1.827 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.345 -3.938 -2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.337 -3.631 -2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.830 -3.318 -3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.883 -2.046 -3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.745 -1.386 -4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.311 -0.367 -3.114 1.00 0.00 H new ATOM 372 N ILE A 22 -1.218 1.775 -4.688 1.00 0.00 N ATOM 373 CA ILE A 22 -0.399 2.947 -5.110 1.00 0.00 C ATOM 374 C ILE A 22 -0.008 3.782 -3.887 1.00 0.00 C ATOM 375 O ILE A 22 -0.852 4.276 -3.166 1.00 0.00 O ATOM 376 CB ILE A 22 -1.306 3.752 -6.041 1.00 0.00 C ATOM 377 CG1 ILE A 22 -1.991 2.804 -7.028 1.00 0.00 C ATOM 378 CG2 ILE A 22 -0.468 4.771 -6.815 1.00 0.00 C ATOM 379 CD1 ILE A 22 -3.037 3.576 -7.834 1.00 0.00 C ATOM 0 H ILE A 22 -2.182 1.988 -4.431 1.00 0.00 H new ATOM 0 HA ILE A 22 0.526 2.649 -5.603 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.060 4.274 -5.452 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.253 2.364 -7.698 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.464 1.982 -6.491 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.115 5.345 -7.479 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.023 5.446 -6.114 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.286 4.249 -7.405 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.525 2.901 -8.537 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.781 3.995 -7.157 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.551 4.382 -8.383 1.00 0.00 H new ATOM 391 N ALA A 23 1.264 3.941 -3.647 1.00 0.00 N ATOM 392 CA ALA A 23 1.706 4.741 -2.469 1.00 0.00 C ATOM 393 C ALA A 23 2.666 5.849 -2.910 1.00 0.00 C ATOM 394 O ALA A 23 3.356 5.727 -3.901 1.00 0.00 O ATOM 395 CB ALA A 23 2.421 3.744 -1.557 1.00 0.00 C ATOM 0 H ALA A 23 2.017 3.552 -4.215 1.00 0.00 H new ATOM 0 HA ALA A 23 0.871 5.227 -1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.777 4.258 -0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.728 2.953 -1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.268 3.309 -2.087 1.00 0.00 H new ATOM 401 N LYS A 24 2.713 6.930 -2.180 1.00 0.00 N ATOM 402 CA LYS A 24 3.628 8.045 -2.558 1.00 0.00 C ATOM 403 C LYS A 24 4.690 8.246 -1.473 1.00 0.00 C ATOM 404 O LYS A 24 4.383 8.375 -0.306 1.00 0.00 O ATOM 405 CB LYS A 24 2.729 9.277 -2.662 1.00 0.00 C ATOM 406 CG LYS A 24 3.564 10.483 -3.099 1.00 0.00 C ATOM 407 CD LYS A 24 2.752 11.344 -4.068 1.00 0.00 C ATOM 408 CE LYS A 24 3.685 11.953 -5.116 1.00 0.00 C ATOM 409 NZ LYS A 24 4.841 12.481 -4.341 1.00 0.00 N ATOM 0 H LYS A 24 2.158 7.089 -1.339 1.00 0.00 H new ATOM 0 HA LYS A 24 4.158 7.848 -3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.928 9.097 -3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.256 9.478 -1.701 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.854 11.072 -2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.484 10.147 -3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.987 10.739 -4.555 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.235 12.134 -3.523 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.005 11.205 -5.842 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.188 12.747 -5.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.231 13.315 -4.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.526 12.750 -3.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.575 11.748 -4.269 1.00 0.00 H new ATOM 423 N VAL A 25 5.939 8.273 -1.851 1.00 0.00 N ATOM 424 CA VAL A 25 7.019 8.465 -0.842 1.00 0.00 C ATOM 425 C VAL A 25 7.586 9.883 -0.936 1.00 0.00 C ATOM 426 O VAL A 25 7.848 10.389 -2.008 1.00 0.00 O ATOM 427 CB VAL A 25 8.090 7.435 -1.202 1.00 0.00 C ATOM 428 CG1 VAL A 25 7.576 6.033 -0.881 1.00 0.00 C ATOM 429 CG2 VAL A 25 8.408 7.535 -2.695 1.00 0.00 C ATOM 0 H VAL A 25 6.258 8.170 -2.814 1.00 0.00 H new ATOM 0 HA VAL A 25 6.656 8.335 0.178 1.00 0.00 H new ATOM 0 HB VAL A 25 8.993 7.630 -0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.339 5.298 -1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.348 5.964 0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.673 5.835 -1.459 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.171 6.802 -2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.505 7.339 -3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.774 8.536 -2.923 1.00 0.00 H new ATOM 439 N GLU A 26 7.777 10.526 0.182 1.00 0.00 N ATOM 440 CA GLU A 26 8.327 11.911 0.163 1.00 0.00 C ATOM 441 C GLU A 26 9.728 11.929 0.780 1.00 0.00 C ATOM 442 O GLU A 26 9.966 11.347 1.820 1.00 0.00 O ATOM 443 CB GLU A 26 7.356 12.735 1.010 1.00 0.00 C ATOM 444 CG GLU A 26 7.711 14.218 0.899 1.00 0.00 C ATOM 445 CD GLU A 26 6.554 15.062 1.432 1.00 0.00 C ATOM 446 OE1 GLU A 26 5.967 14.667 2.426 1.00 0.00 O ATOM 447 OE2 GLU A 26 6.272 16.089 0.838 1.00 0.00 O ATOM 0 H GLU A 26 7.576 10.152 1.109 1.00 0.00 H new ATOM 0 HA GLU A 26 8.420 12.306 -0.849 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.333 12.569 0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.404 12.416 2.051 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.619 14.429 1.464 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.915 14.477 -0.140 1.00 0.00 H new ATOM 511 N ILE A 32 11.000 11.949 5.948 1.00 0.00 N ATOM 512 CA ILE A 32 10.872 10.695 5.153 1.00 0.00 C ATOM 513 C ILE A 32 9.627 9.917 5.593 1.00 0.00 C ATOM 514 O ILE A 32 9.687 9.066 6.457 1.00 0.00 O ATOM 515 CB ILE A 32 12.146 9.902 5.458 1.00 0.00 C ATOM 516 CG1 ILE A 32 13.237 10.306 4.466 1.00 0.00 C ATOM 517 CG2 ILE A 32 11.871 8.402 5.318 1.00 0.00 C ATOM 518 CD1 ILE A 32 12.825 9.878 3.057 1.00 0.00 C ATOM 0 HA ILE A 32 10.762 10.888 4.086 1.00 0.00 H new ATOM 0 HB ILE A 32 12.469 10.116 6.477 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.393 11.384 4.499 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.183 9.838 4.738 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.781 7.843 5.536 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.089 8.109 6.018 1.00 0.00 H new ATOM 0 HG23 ILE A 32 11.547 8.185 4.300 1.00 0.00 H new ATOM 0 HD11 ILE A 32 13.601 10.165 2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 32 12.691 8.797 3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 32 11.889 10.367 2.787 1.00 0.00 H new ATOM 530 N LYS A 33 8.500 10.204 5.002 1.00 0.00 N ATOM 531 CA LYS A 33 7.255 9.480 5.384 1.00 0.00 C ATOM 532 C LYS A 33 6.550 8.946 4.135 1.00 0.00 C ATOM 533 O LYS A 33 6.675 9.494 3.058 1.00 0.00 O ATOM 534 CB LYS A 33 6.387 10.525 6.086 1.00 0.00 C ATOM 535 CG LYS A 33 6.203 11.734 5.168 1.00 0.00 C ATOM 536 CD LYS A 33 5.173 12.688 5.778 1.00 0.00 C ATOM 537 CE LYS A 33 4.943 13.866 4.830 1.00 0.00 C ATOM 538 NZ LYS A 33 6.150 14.725 4.986 1.00 0.00 N ATOM 0 H LYS A 33 8.387 10.908 4.272 1.00 0.00 H new ATOM 0 HA LYS A 33 7.457 8.622 6.025 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.417 10.097 6.340 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.854 10.833 7.021 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.154 12.248 5.032 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.873 11.408 4.182 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.235 12.162 5.955 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.524 13.049 6.745 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.829 13.528 3.800 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.035 14.410 5.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.864 15.668 5.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.795 14.294 5.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.634 14.813 4.070 1.00 0.00 H new ATOM 552 N THR A 34 5.808 7.880 4.269 1.00 0.00 N ATOM 553 CA THR A 34 5.097 7.317 3.087 1.00 0.00 C ATOM 554 C THR A 34 3.583 7.478 3.252 1.00 0.00 C ATOM 555 O THR A 34 3.016 7.105 4.261 1.00 0.00 O ATOM 556 CB THR A 34 5.479 5.836 3.059 1.00 0.00 C ATOM 557 OG1 THR A 34 6.822 5.703 2.611 1.00 0.00 O ATOM 558 CG2 THR A 34 4.545 5.086 2.107 1.00 0.00 C ATOM 0 H THR A 34 5.664 7.376 5.144 1.00 0.00 H new ATOM 0 HA THR A 34 5.371 7.825 2.162 1.00 0.00 H new ATOM 0 HB THR A 34 5.387 5.417 4.061 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.358 5.269 3.308 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.817 4.031 2.087 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.516 5.189 2.451 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.636 5.503 1.104 1.00 0.00 H new ATOM 566 N VAL A 35 2.926 8.032 2.271 1.00 0.00 N ATOM 567 CA VAL A 35 1.450 8.216 2.373 1.00 0.00 C ATOM 568 C VAL A 35 0.732 7.270 1.408 1.00 0.00 C ATOM 569 O VAL A 35 1.082 7.167 0.249 1.00 0.00 O ATOM 570 CB VAL A 35 1.203 9.673 1.979 1.00 0.00 C ATOM 571 CG1 VAL A 35 2.185 10.577 2.725 1.00 0.00 C ATOM 572 CG2 VAL A 35 1.410 9.833 0.471 1.00 0.00 C ATOM 0 H VAL A 35 3.346 8.365 1.403 1.00 0.00 H new ATOM 0 HA VAL A 35 1.075 7.996 3.372 1.00 0.00 H new ATOM 0 HB VAL A 35 0.182 9.952 2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.009 11.615 2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.041 10.462 3.799 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.206 10.299 2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.234 10.871 0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.431 9.554 0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.712 9.188 -0.063 1.00 0.00 H new ATOM 582 N ILE A 36 -0.271 6.577 1.875 1.00 0.00 N ATOM 583 CA ILE A 36 -1.008 5.638 0.982 1.00 0.00 C ATOM 584 C ILE A 36 -2.016 6.413 0.126 1.00 0.00 C ATOM 585 O ILE A 36 -2.799 7.195 0.627 1.00 0.00 O ATOM 586 CB ILE A 36 -1.715 4.668 1.932 1.00 0.00 C ATOM 587 CG1 ILE A 36 -1.003 3.313 1.891 1.00 0.00 C ATOM 588 CG2 ILE A 36 -3.176 4.486 1.509 1.00 0.00 C ATOM 589 CD1 ILE A 36 0.290 3.389 2.707 1.00 0.00 C ATOM 0 H ILE A 36 -0.612 6.620 2.835 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.352 5.112 0.288 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.686 5.073 2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.654 2.536 2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.779 3.039 0.860 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.669 3.794 2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.686 5.449 1.538 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.214 4.085 0.496 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.796 2.424 2.677 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.942 4.154 2.285 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.054 3.643 3.740 1.00 0.00 H new ATOM 601 N VAL A 37 -1.999 6.204 -1.163 1.00 0.00 N ATOM 602 CA VAL A 37 -2.952 6.931 -2.049 1.00 0.00 C ATOM 603 C VAL A 37 -4.134 6.030 -2.422 1.00 0.00 C ATOM 604 O VAL A 37 -5.277 6.438 -2.366 1.00 0.00 O ATOM 605 CB VAL A 37 -2.139 7.290 -3.293 1.00 0.00 C ATOM 606 CG1 VAL A 37 -3.078 7.810 -4.383 1.00 0.00 C ATOM 607 CG2 VAL A 37 -1.120 8.375 -2.940 1.00 0.00 C ATOM 0 H VAL A 37 -1.367 5.562 -1.640 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.371 7.813 -1.564 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.617 6.404 -3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.499 8.066 -5.270 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.806 7.039 -4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.599 8.696 -4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.540 8.632 -3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.642 9.261 -2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.451 8.007 -2.163 1.00 0.00 H new ATOM 617 N ASN A 38 -3.870 4.812 -2.812 1.00 0.00 N ATOM 618 CA ASN A 38 -4.984 3.897 -3.194 1.00 0.00 C ATOM 619 C ASN A 38 -5.047 2.694 -2.249 1.00 0.00 C ATOM 620 O ASN A 38 -5.899 1.838 -2.378 1.00 0.00 O ATOM 621 CB ASN A 38 -4.651 3.444 -4.616 1.00 0.00 C ATOM 622 CG ASN A 38 -5.886 3.595 -5.504 1.00 0.00 C ATOM 623 OD1 ASN A 38 -6.640 2.659 -5.684 1.00 0.00 O ATOM 624 ND2 ASN A 38 -6.129 4.745 -6.072 1.00 0.00 N ATOM 0 H ASN A 38 -2.934 4.412 -2.882 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.955 4.389 -3.135 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.829 4.038 -5.015 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.320 2.406 -4.610 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.951 4.857 -6.666 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.497 5.532 -5.922 1.00 0.00 H new ATOM 631 N MET A 39 -4.155 2.619 -1.300 1.00 0.00 N ATOM 632 CA MET A 39 -4.176 1.466 -0.352 1.00 0.00 C ATOM 633 C MET A 39 -5.505 1.434 0.405 1.00 0.00 C ATOM 634 O MET A 39 -6.016 0.383 0.736 1.00 0.00 O ATOM 635 CB MET A 39 -3.015 1.719 0.610 1.00 0.00 C ATOM 636 CG MET A 39 -2.320 0.396 0.934 1.00 0.00 C ATOM 637 SD MET A 39 -3.013 -0.293 2.458 1.00 0.00 S ATOM 638 CE MET A 39 -1.888 0.530 3.613 1.00 0.00 C ATOM 0 H MET A 39 -3.415 3.302 -1.139 1.00 0.00 H new ATOM 0 HA MET A 39 -4.076 0.508 -0.863 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.305 2.415 0.164 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.382 2.182 1.526 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.452 -0.307 0.112 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.248 0.555 1.049 1.00 0.00 H new ATOM 0 HE1 MET A 39 -1.667 -0.139 4.445 1.00 0.00 H new ATOM 0 HE2 MET A 39 -0.962 0.787 3.098 1.00 0.00 H new ATOM 0 HE3 MET A 39 -2.356 1.438 3.992 1.00 0.00 H new ATOM 648 N VAL A 40 -6.069 2.578 0.682 1.00 0.00 N ATOM 649 CA VAL A 40 -7.367 2.612 1.416 1.00 0.00 C ATOM 650 C VAL A 40 -8.457 1.927 0.588 1.00 0.00 C ATOM 651 O VAL A 40 -9.256 1.169 1.101 1.00 0.00 O ATOM 652 CB VAL A 40 -7.682 4.097 1.595 1.00 0.00 C ATOM 653 CG1 VAL A 40 -9.094 4.255 2.161 1.00 0.00 C ATOM 654 CG2 VAL A 40 -6.673 4.717 2.565 1.00 0.00 C ATOM 0 H VAL A 40 -5.688 3.490 0.432 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.317 2.089 2.371 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.619 4.601 0.631 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.318 5.314 2.289 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.814 3.812 1.473 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.158 3.752 3.126 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.896 5.776 2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.738 4.212 3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.666 4.604 2.164 1.00 0.00 H new ATOM 664 N ASP A 41 -8.494 2.187 -0.692 1.00 0.00 N ATOM 665 CA ASP A 41 -9.532 1.549 -1.551 1.00 0.00 C ATOM 666 C ASP A 41 -9.363 0.028 -1.540 1.00 0.00 C ATOM 667 O ASP A 41 -10.303 -0.710 -1.320 1.00 0.00 O ATOM 668 CB ASP A 41 -9.282 2.107 -2.953 1.00 0.00 C ATOM 669 CG ASP A 41 -10.603 2.585 -3.556 1.00 0.00 C ATOM 670 OD1 ASP A 41 -11.115 3.591 -3.090 1.00 0.00 O ATOM 671 OD2 ASP A 41 -11.081 1.940 -4.474 1.00 0.00 O ATOM 0 H ASP A 41 -7.851 2.812 -1.178 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.544 1.759 -1.204 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.572 2.933 -2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -8.837 1.340 -3.587 1.00 0.00 H new ATOM 676 N VAL A 42 -8.169 -0.446 -1.771 1.00 0.00 N ATOM 677 CA VAL A 42 -7.938 -1.919 -1.769 1.00 0.00 C ATOM 678 C VAL A 42 -8.275 -2.501 -0.395 1.00 0.00 C ATOM 679 O VAL A 42 -8.861 -3.560 -0.284 1.00 0.00 O ATOM 680 CB VAL A 42 -6.449 -2.086 -2.071 1.00 0.00 C ATOM 681 CG1 VAL A 42 -6.080 -3.570 -2.015 1.00 0.00 C ATOM 682 CG2 VAL A 42 -6.149 -1.540 -3.469 1.00 0.00 C ATOM 0 H VAL A 42 -7.344 0.123 -1.961 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.562 -2.438 -2.497 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.865 -1.538 -1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.018 -3.689 -2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.295 -3.961 -1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.664 -4.118 -2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.087 -1.658 -3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.734 -2.089 -4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.412 -0.483 -3.511 1.00 0.00 H new ATOM 692 N ALA A 43 -7.909 -1.816 0.654 1.00 0.00 N ATOM 693 CA ALA A 43 -8.209 -2.328 2.022 1.00 0.00 C ATOM 694 C ALA A 43 -9.722 -2.419 2.231 1.00 0.00 C ATOM 695 O ALA A 43 -10.217 -3.308 2.895 1.00 0.00 O ATOM 696 CB ALA A 43 -7.596 -1.301 2.973 1.00 0.00 C ATOM 0 H ALA A 43 -7.415 -0.924 0.623 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.805 -3.327 2.188 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.775 -1.607 4.004 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.523 -1.235 2.795 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.053 -0.327 2.800 1.00 0.00 H new ATOM 702 N LYS A 44 -10.459 -1.506 1.665 1.00 0.00 N ATOM 703 CA LYS A 44 -11.940 -1.536 1.827 1.00 0.00 C ATOM 704 C LYS A 44 -12.493 -2.871 1.320 1.00 0.00 C ATOM 705 O LYS A 44 -13.378 -3.454 1.915 1.00 0.00 O ATOM 706 CB LYS A 44 -12.457 -0.381 0.969 1.00 0.00 C ATOM 707 CG LYS A 44 -13.863 0.008 1.430 1.00 0.00 C ATOM 708 CD LYS A 44 -14.638 0.604 0.253 1.00 0.00 C ATOM 709 CE LYS A 44 -16.060 0.038 0.240 1.00 0.00 C ATOM 710 NZ LYS A 44 -16.844 0.990 -0.597 1.00 0.00 N ATOM 0 H LYS A 44 -10.100 -0.739 1.096 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.246 -1.436 2.868 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.787 0.475 1.050 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.475 -0.674 -0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.385 -0.867 1.818 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.804 0.731 2.244 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.668 1.690 0.336 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.133 0.370 -0.684 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.081 -0.967 -0.180 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.468 -0.029 1.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.832 0.670 -0.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.811 1.937 -0.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.437 1.028 -1.553 1.00 0.00 H new ATOM 724 N ALA A 45 -11.974 -3.361 0.228 1.00 0.00 N ATOM 725 CA ALA A 45 -12.465 -4.658 -0.315 1.00 0.00 C ATOM 726 C ALA A 45 -12.013 -5.810 0.588 1.00 0.00 C ATOM 727 O ALA A 45 -12.523 -6.911 0.510 1.00 0.00 O ATOM 728 CB ALA A 45 -11.826 -4.777 -1.699 1.00 0.00 C ATOM 0 H ALA A 45 -11.230 -2.918 -0.312 1.00 0.00 H new ATOM 0 HA ALA A 45 -13.553 -4.701 -0.366 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.140 -5.710 -2.166 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.141 -3.937 -2.319 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.740 -4.768 -1.601 1.00 0.00 H new ATOM 734 N LEU A 46 -11.059 -5.563 1.443 1.00 0.00 N ATOM 735 CA LEU A 46 -10.572 -6.642 2.351 1.00 0.00 C ATOM 736 C LEU A 46 -11.492 -6.762 3.570 1.00 0.00 C ATOM 737 O LEU A 46 -11.271 -7.571 4.449 1.00 0.00 O ATOM 738 CB LEU A 46 -9.171 -6.199 2.774 1.00 0.00 C ATOM 739 CG LEU A 46 -8.606 -7.191 3.791 1.00 0.00 C ATOM 740 CD1 LEU A 46 -7.084 -7.255 3.652 1.00 0.00 C ATOM 741 CD2 LEU A 46 -8.969 -6.731 5.204 1.00 0.00 C ATOM 0 H LEU A 46 -10.595 -4.661 1.553 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.561 -7.618 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.518 -6.143 1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.210 -5.200 3.208 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.029 -8.179 3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.682 -7.962 4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.824 -7.581 2.645 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.660 -6.268 3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.567 -7.437 5.931 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.546 -5.743 5.385 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.053 -6.685 5.304 1.00 0.00 H new ATOM 753 N ASN A 47 -12.524 -5.963 3.626 1.00 0.00 N ATOM 754 CA ASN A 47 -13.464 -6.028 4.785 1.00 0.00 C ATOM 755 C ASN A 47 -12.802 -5.461 6.043 1.00 0.00 C ATOM 756 O ASN A 47 -13.254 -4.483 6.606 1.00 0.00 O ATOM 757 CB ASN A 47 -13.773 -7.516 4.967 1.00 0.00 C ATOM 758 CG ASN A 47 -15.278 -7.705 5.159 1.00 0.00 C ATOM 759 OD1 ASN A 47 -16.053 -7.462 4.256 1.00 0.00 O ATOM 760 ND2 ASN A 47 -15.728 -8.133 6.307 1.00 0.00 N ATOM 0 H ASN A 47 -12.758 -5.267 2.918 1.00 0.00 H new ATOM 0 HA ASN A 47 -14.367 -5.442 4.612 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -13.433 -8.078 4.097 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -13.234 -7.907 5.830 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -16.730 -8.263 6.445 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -15.078 -8.337 7.066 1.00 0.00 H new ATOM 767 N ARG A 48 -11.735 -6.065 6.491 1.00 0.00 N ATOM 768 CA ARG A 48 -11.051 -5.557 7.715 1.00 0.00 C ATOM 769 C ARG A 48 -10.222 -4.314 7.381 1.00 0.00 C ATOM 770 O ARG A 48 -9.800 -4.131 6.256 1.00 0.00 O ATOM 771 CB ARG A 48 -10.143 -6.702 8.165 1.00 0.00 C ATOM 772 CG ARG A 48 -10.694 -7.313 9.455 1.00 0.00 C ATOM 773 CD ARG A 48 -11.906 -8.188 9.129 1.00 0.00 C ATOM 774 NE ARG A 48 -11.572 -9.529 9.684 1.00 0.00 N ATOM 775 CZ ARG A 48 -11.636 -9.737 10.971 1.00 0.00 C ATOM 776 NH1 ARG A 48 -12.797 -9.876 11.552 1.00 0.00 N ATOM 777 NH2 ARG A 48 -10.541 -9.805 11.677 1.00 0.00 N ATOM 0 H ARG A 48 -11.308 -6.887 6.064 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.758 -5.267 8.493 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.085 -7.462 7.386 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.130 -6.334 8.328 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -9.924 -7.908 9.946 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -10.979 -6.524 10.151 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -12.814 -7.789 9.581 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -12.080 -8.238 8.054 1.00 0.00 H new ATOM 0 HE ARG A 48 -11.293 -10.285 9.058 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -13.653 -9.822 11.000 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -12.848 -10.039 12.558 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.634 -9.696 11.223 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -10.592 -9.968 12.683 1.00 0.00 H new ATOM 791 N PRO A 49 -10.021 -3.496 8.378 1.00 0.00 N ATOM 792 CA PRO A 49 -9.235 -2.250 8.198 1.00 0.00 C ATOM 793 C PRO A 49 -7.746 -2.572 8.046 1.00 0.00 C ATOM 794 O PRO A 49 -7.230 -3.454 8.701 1.00 0.00 O ATOM 795 CB PRO A 49 -9.496 -1.475 9.486 1.00 0.00 C ATOM 796 CG PRO A 49 -9.853 -2.514 10.500 1.00 0.00 C ATOM 797 CD PRO A 49 -10.499 -3.655 9.756 1.00 0.00 C ATOM 0 HA PRO A 49 -9.515 -1.691 7.305 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.615 -0.911 9.792 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.305 -0.756 9.357 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.965 -2.855 11.032 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -10.534 -2.106 11.246 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.206 -4.619 10.171 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.586 -3.602 9.810 1.00 0.00 H new ATOM 805 N PRO A 50 -7.105 -1.837 7.178 1.00 0.00 N ATOM 806 CA PRO A 50 -5.657 -2.037 6.929 1.00 0.00 C ATOM 807 C PRO A 50 -4.835 -1.499 8.102 1.00 0.00 C ATOM 808 O PRO A 50 -3.723 -1.928 8.342 1.00 0.00 O ATOM 809 CB PRO A 50 -5.396 -1.219 5.666 1.00 0.00 C ATOM 810 CG PRO A 50 -6.467 -0.175 5.652 1.00 0.00 C ATOM 811 CD PRO A 50 -7.665 -0.758 6.356 1.00 0.00 C ATOM 0 HA PRO A 50 -5.382 -3.086 6.819 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.404 -0.767 5.687 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.443 -1.844 4.774 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -6.128 0.731 6.155 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.720 0.104 4.629 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -8.170 -0.011 6.968 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.399 -1.138 5.646 1.00 0.00 H new ATOM 819 N THR A 51 -5.372 -0.563 8.833 1.00 0.00 N ATOM 820 CA THR A 51 -4.622 0.005 9.991 1.00 0.00 C ATOM 821 C THR A 51 -4.220 -1.108 10.964 1.00 0.00 C ATOM 822 O THR A 51 -3.306 -0.957 11.749 1.00 0.00 O ATOM 823 CB THR A 51 -5.603 0.974 10.657 1.00 0.00 C ATOM 824 OG1 THR A 51 -6.658 0.237 11.259 1.00 0.00 O ATOM 825 CG2 THR A 51 -6.177 1.929 9.609 1.00 0.00 C ATOM 0 H THR A 51 -6.299 -0.165 8.680 1.00 0.00 H new ATOM 0 HA THR A 51 -3.701 0.501 9.684 1.00 0.00 H new ATOM 0 HB THR A 51 -5.080 1.551 11.420 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.286 0.855 11.687 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.875 2.617 10.087 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.367 2.495 9.150 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.700 1.357 8.843 1.00 0.00 H new ATOM 833 N TYR A 52 -4.901 -2.221 10.925 1.00 0.00 N ATOM 834 CA TYR A 52 -4.561 -3.337 11.857 1.00 0.00 C ATOM 835 C TYR A 52 -3.457 -4.229 11.273 1.00 0.00 C ATOM 836 O TYR A 52 -2.426 -4.417 11.889 1.00 0.00 O ATOM 837 CB TYR A 52 -5.859 -4.129 12.014 1.00 0.00 C ATOM 838 CG TYR A 52 -6.224 -4.212 13.477 1.00 0.00 C ATOM 839 CD1 TYR A 52 -5.659 -5.206 14.284 1.00 0.00 C ATOM 840 CD2 TYR A 52 -7.125 -3.292 14.027 1.00 0.00 C ATOM 841 CE1 TYR A 52 -5.996 -5.283 15.640 1.00 0.00 C ATOM 842 CE2 TYR A 52 -7.462 -3.369 15.383 1.00 0.00 C ATOM 843 CZ TYR A 52 -6.899 -4.365 16.190 1.00 0.00 C ATOM 844 OH TYR A 52 -7.231 -4.440 17.527 1.00 0.00 O ATOM 0 H TYR A 52 -5.677 -2.407 10.290 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.183 -2.965 12.810 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.661 -3.648 11.455 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.739 -5.130 11.601 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.962 -5.914 13.860 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.560 -2.523 13.405 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.560 -6.050 16.262 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.157 -2.660 15.807 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.868 -3.729 17.746 1.00 0.00 H new ATOM 854 N PRO A 53 -3.715 -4.764 10.109 1.00 0.00 N ATOM 855 CA PRO A 53 -2.733 -5.662 9.448 1.00 0.00 C ATOM 856 C PRO A 53 -1.512 -4.878 8.950 1.00 0.00 C ATOM 857 O PRO A 53 -0.427 -5.414 8.840 1.00 0.00 O ATOM 858 CB PRO A 53 -3.518 -6.252 8.279 1.00 0.00 C ATOM 859 CG PRO A 53 -4.593 -5.253 7.995 1.00 0.00 C ATOM 860 CD PRO A 53 -4.928 -4.587 9.303 1.00 0.00 C ATOM 0 HA PRO A 53 -2.337 -6.422 10.121 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.878 -6.402 7.409 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.940 -7.224 8.536 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.255 -4.519 7.264 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.472 -5.741 7.574 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -5.166 -3.532 9.165 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.794 -5.050 9.777 1.00 0.00 H new ATOM 868 N THR A 54 -1.676 -3.621 8.645 1.00 0.00 N ATOM 869 CA THR A 54 -0.515 -2.821 8.154 1.00 0.00 C ATOM 870 C THR A 54 0.629 -2.860 9.172 1.00 0.00 C ATOM 871 O THR A 54 1.752 -2.510 8.870 1.00 0.00 O ATOM 872 CB THR A 54 -1.049 -1.395 8.002 1.00 0.00 C ATOM 873 OG1 THR A 54 -0.068 -0.590 7.366 1.00 0.00 O ATOM 874 CG2 THR A 54 -1.369 -0.819 9.382 1.00 0.00 C ATOM 0 H THR A 54 -2.558 -3.113 8.713 1.00 0.00 H new ATOM 0 HA THR A 54 -0.117 -3.209 7.217 1.00 0.00 H new ATOM 0 HB THR A 54 -1.956 -1.408 7.398 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.409 0.323 7.266 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.749 0.197 9.273 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.122 -1.438 9.869 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.464 -0.804 9.989 1.00 0.00 H new ATOM 882 N LYS A 55 0.352 -3.279 10.377 1.00 0.00 N ATOM 883 CA LYS A 55 1.424 -3.336 11.414 1.00 0.00 C ATOM 884 C LYS A 55 2.387 -4.493 11.126 1.00 0.00 C ATOM 885 O LYS A 55 3.584 -4.374 11.302 1.00 0.00 O ATOM 886 CB LYS A 55 0.686 -3.570 12.732 1.00 0.00 C ATOM 887 CG LYS A 55 -0.250 -2.393 13.010 1.00 0.00 C ATOM 888 CD LYS A 55 0.248 -1.623 14.234 1.00 0.00 C ATOM 889 CE LYS A 55 -0.808 -1.682 15.340 1.00 0.00 C ATOM 890 NZ LYS A 55 -0.230 -0.897 16.466 1.00 0.00 N ATOM 0 H LYS A 55 -0.570 -3.584 10.689 1.00 0.00 H new ATOM 0 HA LYS A 55 2.023 -2.426 11.435 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.116 -4.498 12.682 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.401 -3.679 13.547 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.289 -1.733 12.143 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.264 -2.754 13.182 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.186 -2.051 14.589 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.452 -0.586 13.966 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.754 -1.255 15.006 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.010 -2.711 15.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.897 -0.891 17.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.666 -1.330 16.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.055 0.080 16.154 1.00 0.00 H new ATOM 904 N TYR A 56 1.877 -5.612 10.692 1.00 0.00 N ATOM 905 CA TYR A 56 2.765 -6.775 10.400 1.00 0.00 C ATOM 906 C TYR A 56 3.805 -6.401 9.340 1.00 0.00 C ATOM 907 O TYR A 56 4.989 -6.611 9.516 1.00 0.00 O ATOM 908 CB TYR A 56 1.829 -7.863 9.872 1.00 0.00 C ATOM 909 CG TYR A 56 1.659 -8.936 10.920 1.00 0.00 C ATOM 910 CD1 TYR A 56 2.767 -9.677 11.349 1.00 0.00 C ATOM 911 CD2 TYR A 56 0.394 -9.191 11.463 1.00 0.00 C ATOM 912 CE1 TYR A 56 2.609 -10.672 12.321 1.00 0.00 C ATOM 913 CE2 TYR A 56 0.237 -10.186 12.435 1.00 0.00 C ATOM 914 CZ TYR A 56 1.345 -10.927 12.864 1.00 0.00 C ATOM 915 OH TYR A 56 1.189 -11.908 13.822 1.00 0.00 O ATOM 0 H TYR A 56 0.883 -5.773 10.526 1.00 0.00 H new ATOM 0 HA TYR A 56 3.318 -7.102 11.281 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.861 -7.432 9.618 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.236 -8.295 8.958 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.743 -9.481 10.930 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.461 -8.620 11.132 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.464 -11.243 12.652 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.739 -10.382 12.854 1.00 0.00 H new ATOM 0 HH TYR A 56 0.248 -11.954 14.093 1.00 0.00 H new ATOM 925 N PHE A 57 3.372 -5.847 8.242 1.00 0.00 N ATOM 926 CA PHE A 57 4.334 -5.459 7.171 1.00 0.00 C ATOM 927 C PHE A 57 5.223 -4.309 7.650 1.00 0.00 C ATOM 928 O PHE A 57 6.367 -4.190 7.257 1.00 0.00 O ATOM 929 CB PHE A 57 3.461 -5.010 5.999 1.00 0.00 C ATOM 930 CG PHE A 57 2.527 -6.131 5.607 1.00 0.00 C ATOM 931 CD1 PHE A 57 3.018 -7.434 5.466 1.00 0.00 C ATOM 932 CD2 PHE A 57 1.170 -5.867 5.387 1.00 0.00 C ATOM 933 CE1 PHE A 57 2.153 -8.473 5.105 1.00 0.00 C ATOM 934 CE2 PHE A 57 0.304 -6.905 5.024 1.00 0.00 C ATOM 935 CZ PHE A 57 0.796 -8.208 4.883 1.00 0.00 C ATOM 0 H PHE A 57 2.393 -5.646 8.039 1.00 0.00 H new ATOM 0 HA PHE A 57 4.997 -6.279 6.895 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.888 -4.125 6.277 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.087 -4.731 5.151 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.065 -7.638 5.636 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.791 -4.862 5.497 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.532 -9.479 4.998 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.743 -6.701 4.853 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.128 -9.009 4.603 1.00 0.00 H new ATOM 945 N GLY A 58 4.703 -3.457 8.489 1.00 0.00 N ATOM 946 CA GLY A 58 5.513 -2.311 8.987 1.00 0.00 C ATOM 947 C GLY A 58 6.763 -2.826 9.704 1.00 0.00 C ATOM 948 O GLY A 58 7.862 -2.371 9.456 1.00 0.00 O ATOM 0 H GLY A 58 3.751 -3.505 8.852 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.800 -1.669 8.154 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.918 -1.703 9.668 1.00 0.00 H new ATOM 952 N CYS A 59 6.608 -3.767 10.592 1.00 0.00 N ATOM 953 CA CYS A 59 7.795 -4.299 11.322 1.00 0.00 C ATOM 954 C CYS A 59 8.813 -4.875 10.334 1.00 0.00 C ATOM 955 O CYS A 59 9.997 -4.620 10.428 1.00 0.00 O ATOM 956 CB CYS A 59 7.240 -5.402 12.224 1.00 0.00 C ATOM 957 SG CYS A 59 5.892 -4.739 13.231 1.00 0.00 S ATOM 0 H CYS A 59 5.715 -4.190 10.844 1.00 0.00 H new ATOM 0 HA CYS A 59 8.311 -3.525 11.891 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.880 -6.234 11.619 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.029 -5.793 12.866 1.00 0.00 H new ATOM 0 HG CYS A 59 4.828 -4.604 12.497 1.00 0.00 H new ATOM 963 N GLU A 60 8.362 -5.656 9.393 1.00 0.00 N ATOM 964 CA GLU A 60 9.301 -6.257 8.403 1.00 0.00 C ATOM 965 C GLU A 60 9.852 -5.189 7.452 1.00 0.00 C ATOM 966 O GLU A 60 10.944 -5.317 6.931 1.00 0.00 O ATOM 967 CB GLU A 60 8.461 -7.276 7.633 1.00 0.00 C ATOM 968 CG GLU A 60 8.771 -8.684 8.145 1.00 0.00 C ATOM 969 CD GLU A 60 7.686 -9.652 7.666 1.00 0.00 C ATOM 970 OE1 GLU A 60 6.576 -9.200 7.442 1.00 0.00 O ATOM 971 OE2 GLU A 60 7.985 -10.827 7.534 1.00 0.00 O ATOM 0 H GLU A 60 7.381 -5.905 9.266 1.00 0.00 H new ATOM 0 HA GLU A 60 10.164 -6.713 8.888 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.400 -7.057 7.758 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.677 -7.210 6.567 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.747 -9.007 7.783 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.819 -8.684 9.234 1.00 0.00 H new ATOM 978 N LEU A 61 9.107 -4.146 7.204 1.00 0.00 N ATOM 979 CA LEU A 61 9.600 -3.092 6.269 1.00 0.00 C ATOM 980 C LEU A 61 10.346 -1.985 7.033 1.00 0.00 C ATOM 981 O LEU A 61 10.641 -0.936 6.494 1.00 0.00 O ATOM 982 CB LEU A 61 8.334 -2.568 5.570 1.00 0.00 C ATOM 983 CG LEU A 61 7.947 -1.186 6.099 1.00 0.00 C ATOM 984 CD1 LEU A 61 8.598 -0.106 5.233 1.00 0.00 C ATOM 985 CD2 LEU A 61 6.424 -1.032 6.039 1.00 0.00 C ATOM 0 H LEU A 61 8.184 -3.978 7.605 1.00 0.00 H new ATOM 0 HA LEU A 61 10.322 -3.475 5.547 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.504 -2.515 4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.512 -3.265 5.729 1.00 0.00 H new ATOM 0 HG LEU A 61 8.289 -1.081 7.129 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.322 0.879 5.610 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.682 -0.217 5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.255 -0.209 4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.143 -0.048 6.415 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.088 -1.136 5.007 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.956 -1.802 6.652 1.00 0.00 H new ATOM 997 N GLY A 62 10.674 -2.221 8.276 1.00 0.00 N ATOM 998 CA GLY A 62 11.423 -1.196 9.068 1.00 0.00 C ATOM 999 C GLY A 62 10.585 0.076 9.227 1.00 0.00 C ATOM 1000 O GLY A 62 11.078 1.106 9.640 1.00 0.00 O ATOM 0 H GLY A 62 10.456 -3.081 8.780 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.674 -1.598 10.049 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.363 -0.959 8.570 1.00 0.00 H new ATOM 1004 N ALA A 63 9.325 0.012 8.908 1.00 0.00 N ATOM 1005 CA ALA A 63 8.455 1.217 9.047 1.00 0.00 C ATOM 1006 C ALA A 63 7.170 0.837 9.781 1.00 0.00 C ATOM 1007 O ALA A 63 6.831 -0.324 9.881 1.00 0.00 O ATOM 1008 CB ALA A 63 8.144 1.649 7.614 1.00 0.00 C ATOM 0 H ALA A 63 8.856 -0.823 8.556 1.00 0.00 H new ATOM 0 HA ALA A 63 8.932 2.016 9.615 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.506 2.533 7.631 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.073 1.882 7.094 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.630 0.841 7.094 1.00 0.00 H new ATOM 1014 N GLN A 64 6.440 1.791 10.291 1.00 0.00 N ATOM 1015 CA GLN A 64 5.193 1.446 10.995 1.00 0.00 C ATOM 1016 C GLN A 64 4.020 2.120 10.295 1.00 0.00 C ATOM 1017 O GLN A 64 3.813 1.956 9.109 1.00 0.00 O ATOM 1018 CB GLN A 64 5.379 1.985 12.413 1.00 0.00 C ATOM 1019 CG GLN A 64 4.346 1.348 13.343 1.00 0.00 C ATOM 1020 CD GLN A 64 4.918 0.060 13.936 1.00 0.00 C ATOM 1021 OE1 GLN A 64 4.484 -0.389 14.978 1.00 0.00 O ATOM 1022 NE2 GLN A 64 5.885 -0.558 13.312 1.00 0.00 N ATOM 0 H GLN A 64 6.659 2.786 10.246 1.00 0.00 H new ATOM 0 HA GLN A 64 4.987 0.376 11.005 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.386 1.766 12.767 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.268 3.069 12.418 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.082 2.042 14.141 1.00 0.00 H new ATOM 0 HG3 GLN A 64 3.430 1.132 12.793 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.250 -0.182 12.437 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.275 -1.417 13.700 1.00 0.00 H new ATOM 1031 N THR A 65 3.248 2.868 11.016 1.00 0.00 N ATOM 1032 CA THR A 65 2.078 3.544 10.384 1.00 0.00 C ATOM 1033 C THR A 65 1.726 4.859 11.088 1.00 0.00 C ATOM 1034 O THR A 65 2.215 5.165 12.156 1.00 0.00 O ATOM 1035 CB THR A 65 0.924 2.550 10.491 1.00 0.00 C ATOM 1036 OG1 THR A 65 -0.262 3.241 10.852 1.00 0.00 O ATOM 1037 CG2 THR A 65 1.239 1.485 11.544 1.00 0.00 C ATOM 0 H THR A 65 3.369 3.045 12.013 1.00 0.00 H new ATOM 0 HA THR A 65 2.296 3.811 9.350 1.00 0.00 H new ATOM 0 HB THR A 65 0.785 2.061 9.527 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.043 2.710 10.589 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.408 0.782 11.611 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.145 0.950 11.260 1.00 0.00 H new ATOM 0 HG23 THR A 65 1.388 1.963 12.512 1.00 0.00 H new ATOM 1045 N GLN A 66 0.845 5.615 10.491 1.00 0.00 N ATOM 1046 CA GLN A 66 0.394 6.902 11.099 1.00 0.00 C ATOM 1047 C GLN A 66 -1.039 7.166 10.633 1.00 0.00 C ATOM 1048 O GLN A 66 -1.380 6.903 9.497 1.00 0.00 O ATOM 1049 CB GLN A 66 1.350 7.966 10.556 1.00 0.00 C ATOM 1050 CG GLN A 66 1.554 9.054 11.612 1.00 0.00 C ATOM 1051 CD GLN A 66 1.191 10.417 11.017 1.00 0.00 C ATOM 1052 OE1 GLN A 66 1.800 10.858 10.064 1.00 0.00 O ATOM 1053 NE2 GLN A 66 0.216 11.105 11.544 1.00 0.00 N ATOM 0 H GLN A 66 0.412 5.393 9.595 1.00 0.00 H new ATOM 0 HA GLN A 66 0.404 6.896 12.189 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.306 7.512 10.296 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.945 8.402 9.643 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.934 8.849 12.485 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.590 9.057 11.951 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.295 10.734 12.345 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.035 12.014 11.155 1.00 0.00 H new ATOM 1062 N PHE A 67 -1.896 7.644 11.490 1.00 0.00 N ATOM 1063 CA PHE A 67 -3.304 7.863 11.052 1.00 0.00 C ATOM 1064 C PHE A 67 -3.804 9.277 11.318 1.00 0.00 C ATOM 1065 O PHE A 67 -3.490 9.883 12.323 1.00 0.00 O ATOM 1066 CB PHE A 67 -4.101 6.835 11.844 1.00 0.00 C ATOM 1067 CG PHE A 67 -3.975 5.538 11.110 1.00 0.00 C ATOM 1068 CD1 PHE A 67 -4.388 5.481 9.785 1.00 0.00 C ATOM 1069 CD2 PHE A 67 -3.411 4.416 11.724 1.00 0.00 C ATOM 1070 CE1 PHE A 67 -4.243 4.307 9.058 1.00 0.00 C ATOM 1071 CE2 PHE A 67 -3.270 3.228 10.999 1.00 0.00 C ATOM 1072 CZ PHE A 67 -3.683 3.175 9.661 1.00 0.00 C ATOM 0 H PHE A 67 -1.690 7.889 12.458 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.405 7.747 9.973 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.715 6.744 12.859 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -5.146 7.134 11.925 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.823 6.353 9.319 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.086 4.466 12.753 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.562 4.267 8.027 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.844 2.354 11.469 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.569 2.262 9.096 1.00 0.00 H new ATOM 1082 N ASP A 68 -4.618 9.796 10.433 1.00 0.00 N ATOM 1083 CA ASP A 68 -5.174 11.153 10.656 1.00 0.00 C ATOM 1084 C ASP A 68 -6.697 11.047 10.743 1.00 0.00 C ATOM 1085 O ASP A 68 -7.355 10.649 9.803 1.00 0.00 O ATOM 1086 CB ASP A 68 -4.750 11.968 9.433 1.00 0.00 C ATOM 1087 CG ASP A 68 -3.238 11.852 9.238 1.00 0.00 C ATOM 1088 OD1 ASP A 68 -2.743 10.736 9.235 1.00 0.00 O ATOM 1089 OD2 ASP A 68 -2.598 12.880 9.094 1.00 0.00 O ATOM 0 H ASP A 68 -4.917 9.337 9.572 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.820 11.618 11.576 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.270 11.608 8.545 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.031 13.013 9.565 1.00 0.00 H new ATOM 1094 N VAL A 69 -7.263 11.389 11.866 1.00 0.00 N ATOM 1095 CA VAL A 69 -8.743 11.294 12.009 1.00 0.00 C ATOM 1096 C VAL A 69 -9.393 12.578 11.507 1.00 0.00 C ATOM 1097 O VAL A 69 -10.108 12.578 10.525 1.00 0.00 O ATOM 1098 CB VAL A 69 -8.981 11.099 13.505 1.00 0.00 C ATOM 1099 CG1 VAL A 69 -10.422 10.644 13.737 1.00 0.00 C ATOM 1100 CG2 VAL A 69 -8.018 10.031 14.028 1.00 0.00 C ATOM 0 H VAL A 69 -6.767 11.729 12.690 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.174 10.478 11.428 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.811 12.038 14.031 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -10.592 10.505 14.805 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -11.108 11.400 13.356 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.594 9.702 13.216 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.181 9.885 15.096 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.195 9.093 13.503 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.991 10.353 13.859 1.00 0.00 H new ATOM 1110 N LYS A 70 -9.134 13.681 12.153 1.00 0.00 N ATOM 1111 CA LYS A 70 -9.726 14.959 11.677 1.00 0.00 C ATOM 1112 C LYS A 70 -9.309 15.179 10.222 1.00 0.00 C ATOM 1113 O LYS A 70 -9.872 15.991 9.516 1.00 0.00 O ATOM 1114 CB LYS A 70 -9.132 16.039 12.582 1.00 0.00 C ATOM 1115 CG LYS A 70 -7.614 16.085 12.397 1.00 0.00 C ATOM 1116 CD LYS A 70 -7.042 17.281 13.162 1.00 0.00 C ATOM 1117 CE LYS A 70 -6.474 18.298 12.170 1.00 0.00 C ATOM 1118 NZ LYS A 70 -5.022 18.377 12.490 1.00 0.00 N ATOM 0 H LYS A 70 -8.544 13.752 12.982 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.815 14.969 11.717 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.567 17.009 12.342 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.375 15.829 13.624 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.165 15.160 12.759 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.368 16.166 11.338 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.820 17.744 13.768 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.261 16.949 13.846 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.635 17.978 11.141 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.956 19.269 12.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.562 19.056 11.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.900 18.691 13.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.588 17.439 12.369 1.00 0.00 H new ATOM 1132 N ASN A 71 -8.323 14.446 9.773 1.00 0.00 N ATOM 1133 CA ASN A 71 -7.858 14.592 8.368 1.00 0.00 C ATOM 1134 C ASN A 71 -8.369 13.424 7.515 1.00 0.00 C ATOM 1135 O ASN A 71 -8.616 13.580 6.337 1.00 0.00 O ATOM 1136 CB ASN A 71 -6.332 14.572 8.452 1.00 0.00 C ATOM 1137 CG ASN A 71 -5.774 15.876 7.881 1.00 0.00 C ATOM 1138 OD1 ASN A 71 -5.233 15.894 6.793 1.00 0.00 O ATOM 1139 ND2 ASN A 71 -5.881 16.975 8.575 1.00 0.00 N ATOM 0 H ASN A 71 -7.820 13.751 10.324 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.227 15.506 7.903 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.016 14.451 9.488 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.937 13.721 7.897 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.511 17.850 8.205 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.335 16.959 9.488 1.00 0.00 H new ATOM 1146 N ASP A 72 -8.531 12.257 8.096 1.00 0.00 N ATOM 1147 CA ASP A 72 -9.032 11.091 7.304 1.00 0.00 C ATOM 1148 C ASP A 72 -7.946 10.602 6.353 1.00 0.00 C ATOM 1149 O ASP A 72 -8.199 9.856 5.427 1.00 0.00 O ATOM 1150 CB ASP A 72 -10.197 11.636 6.497 1.00 0.00 C ATOM 1151 CG ASP A 72 -11.050 12.556 7.372 1.00 0.00 C ATOM 1152 OD1 ASP A 72 -11.385 12.150 8.473 1.00 0.00 O ATOM 1153 OD2 ASP A 72 -11.355 13.650 6.927 1.00 0.00 O ATOM 0 H ASP A 72 -8.339 12.064 9.079 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.318 10.256 7.943 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.826 12.184 5.631 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.804 10.814 6.118 1.00 0.00 H new ATOM 1158 N ARG A 73 -6.741 11.017 6.577 1.00 0.00 N ATOM 1159 CA ARG A 73 -5.626 10.586 5.693 1.00 0.00 C ATOM 1160 C ARG A 73 -4.665 9.720 6.493 1.00 0.00 C ATOM 1161 O ARG A 73 -4.243 10.082 7.572 1.00 0.00 O ATOM 1162 CB ARG A 73 -4.946 11.879 5.242 1.00 0.00 C ATOM 1163 CG ARG A 73 -3.756 11.543 4.342 1.00 0.00 C ATOM 1164 CD ARG A 73 -2.965 12.818 4.042 1.00 0.00 C ATOM 1165 NE ARG A 73 -1.976 12.928 5.148 1.00 0.00 N ATOM 1166 CZ ARG A 73 -1.851 14.049 5.804 1.00 0.00 C ATOM 1167 NH1 ARG A 73 -2.765 14.408 6.662 1.00 0.00 N ATOM 1168 NH2 ARG A 73 -0.811 14.811 5.601 1.00 0.00 N ATOM 0 H ARG A 73 -6.474 11.641 7.338 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.964 10.000 4.838 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.656 12.507 4.704 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.610 12.447 6.109 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.113 10.810 4.830 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.105 11.092 3.413 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.469 12.756 3.074 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.619 13.689 4.009 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.395 12.126 5.394 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.578 13.812 6.820 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.667 15.284 7.175 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.096 14.530 4.930 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.713 15.687 6.114 1.00 0.00 H new ATOM 1182 N TYR A 74 -4.324 8.574 5.987 1.00 0.00 N ATOM 1183 CA TYR A 74 -3.406 7.689 6.745 1.00 0.00 C ATOM 1184 C TYR A 74 -2.034 7.637 6.075 1.00 0.00 C ATOM 1185 O TYR A 74 -1.909 7.395 4.891 1.00 0.00 O ATOM 1186 CB TYR A 74 -4.087 6.322 6.728 1.00 0.00 C ATOM 1187 CG TYR A 74 -5.534 6.473 7.162 1.00 0.00 C ATOM 1188 CD1 TYR A 74 -5.948 7.619 7.862 1.00 0.00 C ATOM 1189 CD2 TYR A 74 -6.461 5.469 6.861 1.00 0.00 C ATOM 1190 CE1 TYR A 74 -7.284 7.760 8.255 1.00 0.00 C ATOM 1191 CE2 TYR A 74 -7.798 5.608 7.256 1.00 0.00 C ATOM 1192 CZ TYR A 74 -8.210 6.754 7.950 1.00 0.00 C ATOM 1193 OH TYR A 74 -9.528 6.889 8.337 1.00 0.00 O ATOM 0 H TYR A 74 -4.639 8.213 5.087 1.00 0.00 H new ATOM 0 HA TYR A 74 -3.230 8.041 7.761 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.039 5.892 5.727 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.566 5.636 7.395 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.233 8.393 8.098 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.146 4.587 6.324 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.600 8.642 8.792 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.512 4.831 7.025 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.036 6.103 8.046 1.00 0.00 H new ATOM 1203 N ILE A 75 -1.007 7.867 6.839 1.00 0.00 N ATOM 1204 CA ILE A 75 0.376 7.844 6.288 1.00 0.00 C ATOM 1205 C ILE A 75 1.241 6.927 7.150 1.00 0.00 C ATOM 1206 O ILE A 75 1.008 6.781 8.330 1.00 0.00 O ATOM 1207 CB ILE A 75 0.865 9.288 6.376 1.00 0.00 C ATOM 1208 CG1 ILE A 75 0.233 10.109 5.248 1.00 0.00 C ATOM 1209 CG2 ILE A 75 2.388 9.323 6.238 1.00 0.00 C ATOM 1210 CD1 ILE A 75 0.844 11.511 5.232 1.00 0.00 C ATOM 0 H ILE A 75 -1.066 8.073 7.836 1.00 0.00 H new ATOM 0 HA ILE A 75 0.420 7.472 5.264 1.00 0.00 H new ATOM 0 HB ILE A 75 0.579 9.709 7.340 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.399 9.618 4.289 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.846 10.173 5.391 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.735 10.354 6.301 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.839 8.738 7.040 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.676 8.901 5.275 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.394 12.095 4.429 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.655 12.001 6.187 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.919 11.437 5.068 1.00 0.00 H new ATOM 1222 N VAL A 76 2.231 6.301 6.581 1.00 0.00 N ATOM 1223 CA VAL A 76 3.085 5.393 7.395 1.00 0.00 C ATOM 1224 C VAL A 76 4.488 5.982 7.524 1.00 0.00 C ATOM 1225 O VAL A 76 5.034 6.531 6.588 1.00 0.00 O ATOM 1226 CB VAL A 76 3.120 4.075 6.622 1.00 0.00 C ATOM 1227 CG1 VAL A 76 1.772 3.365 6.762 1.00 0.00 C ATOM 1228 CG2 VAL A 76 3.393 4.359 5.144 1.00 0.00 C ATOM 0 H VAL A 76 2.485 6.377 5.596 1.00 0.00 H new ATOM 0 HA VAL A 76 2.701 5.254 8.406 1.00 0.00 H new ATOM 0 HB VAL A 76 3.909 3.440 7.023 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.797 2.425 6.211 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.575 3.163 7.815 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.983 4.000 6.360 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.418 3.420 4.592 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.603 4.994 4.744 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.353 4.866 5.042 1.00 0.00 H new ATOM 1238 N ASN A 77 5.067 5.887 8.689 1.00 0.00 N ATOM 1239 CA ASN A 77 6.433 6.464 8.889 1.00 0.00 C ATOM 1240 C ASN A 77 7.470 5.673 8.093 1.00 0.00 C ATOM 1241 O ASN A 77 7.463 4.460 8.076 1.00 0.00 O ATOM 1242 CB ASN A 77 6.722 6.379 10.394 1.00 0.00 C ATOM 1243 CG ASN A 77 6.006 5.175 11.009 1.00 0.00 C ATOM 1244 OD1 ASN A 77 6.509 4.071 10.973 1.00 0.00 O ATOM 1245 ND2 ASN A 77 4.844 5.347 11.581 1.00 0.00 N ATOM 0 H ASN A 77 4.659 5.438 9.509 1.00 0.00 H new ATOM 0 HA ASN A 77 6.482 7.495 8.539 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.796 6.295 10.560 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.394 7.295 10.886 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.358 4.553 11.998 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.423 6.275 11.611 1.00 0.00 H new ATOM 1252 N GLY A 78 8.362 6.357 7.430 1.00 0.00 N ATOM 1253 CA GLY A 78 9.401 5.653 6.626 1.00 0.00 C ATOM 1254 C GLY A 78 9.068 5.794 5.141 1.00 0.00 C ATOM 1255 O GLY A 78 7.938 6.046 4.772 1.00 0.00 O ATOM 0 H GLY A 78 8.416 7.375 7.410 1.00 0.00 H new ATOM 0 HA2 GLY A 78 10.385 6.075 6.832 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.441 4.600 6.904 1.00 0.00 H new ATOM 1259 N SER A 79 10.038 5.636 4.283 1.00 0.00 N ATOM 1260 CA SER A 79 9.760 5.764 2.823 1.00 0.00 C ATOM 1261 C SER A 79 9.548 4.384 2.200 1.00 0.00 C ATOM 1262 O SER A 79 10.390 3.513 2.288 1.00 0.00 O ATOM 1263 CB SER A 79 11.000 6.430 2.234 1.00 0.00 C ATOM 1264 OG SER A 79 12.110 5.551 2.358 1.00 0.00 O ATOM 0 H SER A 79 11.006 5.425 4.527 1.00 0.00 H new ATOM 0 HA SER A 79 8.857 6.343 2.629 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.831 6.675 1.185 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.204 7.367 2.752 1.00 0.00 H new ATOM 0 HG SER A 79 11.789 4.629 2.447 1.00 0.00 H new ATOM 1270 N HIS A 80 8.427 4.182 1.567 1.00 0.00 N ATOM 1271 CA HIS A 80 8.155 2.859 0.931 1.00 0.00 C ATOM 1272 C HIS A 80 7.429 3.059 -0.402 1.00 0.00 C ATOM 1273 O HIS A 80 6.308 3.526 -0.444 1.00 0.00 O ATOM 1274 CB HIS A 80 7.258 2.103 1.917 1.00 0.00 C ATOM 1275 CG HIS A 80 7.413 2.675 3.300 1.00 0.00 C ATOM 1276 ND1 HIS A 80 6.395 3.374 3.928 1.00 0.00 N ATOM 1277 CD2 HIS A 80 8.462 2.664 4.187 1.00 0.00 C ATOM 1278 CE1 HIS A 80 6.847 3.751 5.138 1.00 0.00 C ATOM 1279 NE2 HIS A 80 8.102 3.342 5.347 1.00 0.00 N ATOM 0 H HIS A 80 7.686 4.875 1.461 1.00 0.00 H new ATOM 0 HA HIS A 80 9.074 2.311 0.723 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.217 2.173 1.601 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.520 1.045 1.921 1.00 0.00 H new ATOM 0 HD1 HIS A 80 5.471 3.568 3.543 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.421 2.199 4.010 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.267 4.315 5.853 1.00 0.00 H new ATOM 1287 N GLU A 81 8.052 2.703 -1.490 1.00 0.00 N ATOM 1288 CA GLU A 81 7.386 2.871 -2.813 1.00 0.00 C ATOM 1289 C GLU A 81 6.594 1.610 -3.162 1.00 0.00 C ATOM 1290 O GLU A 81 6.889 0.530 -2.689 1.00 0.00 O ATOM 1291 CB GLU A 81 8.528 3.092 -3.809 1.00 0.00 C ATOM 1292 CG GLU A 81 8.120 2.577 -5.192 1.00 0.00 C ATOM 1293 CD GLU A 81 8.864 3.367 -6.271 1.00 0.00 C ATOM 1294 OE1 GLU A 81 8.457 4.483 -6.546 1.00 0.00 O ATOM 1295 OE2 GLU A 81 9.829 2.842 -6.803 1.00 0.00 O ATOM 0 H GLU A 81 8.990 2.304 -1.522 1.00 0.00 H new ATOM 0 HA GLU A 81 6.680 3.701 -2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.774 4.152 -3.864 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.425 2.574 -3.468 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.351 1.515 -5.279 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.043 2.681 -5.327 1.00 0.00 H new ATOM 1302 N ALA A 82 5.591 1.736 -3.985 1.00 0.00 N ATOM 1303 CA ALA A 82 4.784 0.541 -4.360 1.00 0.00 C ATOM 1304 C ALA A 82 5.705 -0.576 -4.855 1.00 0.00 C ATOM 1305 O ALA A 82 5.548 -1.727 -4.496 1.00 0.00 O ATOM 1306 CB ALA A 82 3.866 1.022 -5.481 1.00 0.00 C ATOM 0 H ALA A 82 5.295 2.613 -4.414 1.00 0.00 H new ATOM 0 HA ALA A 82 4.219 0.138 -3.520 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.236 0.197 -5.815 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.237 1.833 -5.114 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.468 1.379 -6.316 1.00 0.00 H new ATOM 1312 N ASN A 83 6.671 -0.248 -5.670 1.00 0.00 N ATOM 1313 CA ASN A 83 7.604 -1.295 -6.174 1.00 0.00 C ATOM 1314 C ASN A 83 8.398 -1.881 -5.005 1.00 0.00 C ATOM 1315 O ASN A 83 8.727 -3.051 -4.985 1.00 0.00 O ATOM 1316 CB ASN A 83 8.533 -0.567 -7.145 1.00 0.00 C ATOM 1317 CG ASN A 83 7.698 0.239 -8.143 1.00 0.00 C ATOM 1318 OD1 ASN A 83 8.091 1.313 -8.552 1.00 0.00 O ATOM 1319 ND2 ASN A 83 6.556 -0.239 -8.554 1.00 0.00 N ATOM 0 H ASN A 83 6.854 0.697 -6.008 1.00 0.00 H new ATOM 0 HA ASN A 83 7.084 -2.121 -6.659 1.00 0.00 H new ATOM 0 HB2 ASN A 83 9.203 0.095 -6.597 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.158 -1.286 -7.675 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.992 0.289 -9.220 1.00 0.00 H new ATOM 0 HD22 ASN A 83 6.227 -1.141 -8.210 1.00 0.00 H new ATOM 1326 N LYS A 84 8.696 -1.073 -4.027 1.00 0.00 N ATOM 1327 CA LYS A 84 9.458 -1.572 -2.848 1.00 0.00 C ATOM 1328 C LYS A 84 8.570 -2.495 -2.011 1.00 0.00 C ATOM 1329 O LYS A 84 9.020 -3.484 -1.468 1.00 0.00 O ATOM 1330 CB LYS A 84 9.830 -0.319 -2.055 1.00 0.00 C ATOM 1331 CG LYS A 84 10.820 -0.689 -0.949 1.00 0.00 C ATOM 1332 CD LYS A 84 12.007 0.275 -0.982 1.00 0.00 C ATOM 1333 CE LYS A 84 13.308 -0.507 -0.792 1.00 0.00 C ATOM 1334 NZ LYS A 84 13.272 -0.975 0.621 1.00 0.00 N ATOM 0 H LYS A 84 8.444 -0.085 -3.993 1.00 0.00 H new ATOM 0 HA LYS A 84 10.340 -2.145 -3.133 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.271 0.426 -2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.936 0.129 -1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.329 -0.644 0.023 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.166 -1.714 -1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.028 0.810 -1.931 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.903 1.023 -0.197 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.369 -1.346 -1.485 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.178 0.123 -0.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.227 -1.261 0.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.936 -0.204 1.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.627 -1.787 0.701 1.00 0.00 H new ATOM 1348 N LEU A 85 7.308 -2.179 -1.908 1.00 0.00 N ATOM 1349 CA LEU A 85 6.387 -3.037 -1.111 1.00 0.00 C ATOM 1350 C LEU A 85 6.359 -4.450 -1.697 1.00 0.00 C ATOM 1351 O LEU A 85 6.232 -5.426 -0.984 1.00 0.00 O ATOM 1352 CB LEU A 85 5.015 -2.372 -1.243 1.00 0.00 C ATOM 1353 CG LEU A 85 4.692 -1.588 0.033 1.00 0.00 C ATOM 1354 CD1 LEU A 85 5.962 -0.927 0.572 1.00 0.00 C ATOM 1355 CD2 LEU A 85 3.653 -0.508 -0.284 1.00 0.00 C ATOM 0 H LEU A 85 6.875 -1.363 -2.342 1.00 0.00 H new ATOM 0 HA LEU A 85 6.695 -3.127 -0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.006 -1.703 -2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.250 -3.128 -1.419 1.00 0.00 H new ATOM 0 HG LEU A 85 4.296 -2.271 0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.726 -0.371 1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.703 -1.694 0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.363 -0.245 -0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.421 0.051 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.052 0.171 -1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.745 -0.977 -0.663 1.00 0.00 H new ATOM 1367 N GLN A 86 6.488 -4.567 -2.990 1.00 0.00 N ATOM 1368 CA GLN A 86 6.479 -5.918 -3.621 1.00 0.00 C ATOM 1369 C GLN A 86 7.745 -6.683 -3.228 1.00 0.00 C ATOM 1370 O GLN A 86 7.718 -7.878 -3.009 1.00 0.00 O ATOM 1371 CB GLN A 86 6.454 -5.652 -5.126 1.00 0.00 C ATOM 1372 CG GLN A 86 5.054 -5.198 -5.542 1.00 0.00 C ATOM 1373 CD GLN A 86 4.105 -6.398 -5.539 1.00 0.00 C ATOM 1374 OE1 GLN A 86 3.808 -6.951 -4.499 1.00 0.00 O ATOM 1375 NE2 GLN A 86 3.615 -6.829 -6.669 1.00 0.00 N ATOM 0 H GLN A 86 6.599 -3.786 -3.637 1.00 0.00 H new ATOM 0 HA GLN A 86 5.629 -6.522 -3.304 1.00 0.00 H new ATOM 0 HB2 GLN A 86 7.187 -4.887 -5.383 1.00 0.00 H new ATOM 0 HB3 GLN A 86 6.731 -6.555 -5.670 1.00 0.00 H new ATOM 0 HG2 GLN A 86 4.690 -4.432 -4.857 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.086 -4.749 -6.535 1.00 0.00 H new ATOM 0 HE21 GLN A 86 3.864 -6.365 -7.543 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.983 -7.630 -6.679 1.00 0.00 H new ATOM 1384 N ASP A 87 8.854 -6.000 -3.132 1.00 0.00 N ATOM 1385 CA ASP A 87 10.120 -6.686 -2.748 1.00 0.00 C ATOM 1386 C ASP A 87 9.983 -7.293 -1.349 1.00 0.00 C ATOM 1387 O ASP A 87 10.406 -8.403 -1.099 1.00 0.00 O ATOM 1388 CB ASP A 87 11.183 -5.586 -2.754 1.00 0.00 C ATOM 1389 CG ASP A 87 12.297 -5.957 -3.736 1.00 0.00 C ATOM 1390 OD1 ASP A 87 12.956 -6.957 -3.504 1.00 0.00 O ATOM 1391 OD2 ASP A 87 12.473 -5.234 -4.702 1.00 0.00 O ATOM 0 H ASP A 87 8.937 -4.998 -3.303 1.00 0.00 H new ATOM 0 HA ASP A 87 10.374 -7.501 -3.426 1.00 0.00 H new ATOM 0 HB2 ASP A 87 10.735 -4.634 -3.039 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.594 -5.458 -1.753 1.00 0.00 H new