USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 559 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 26 THR OG1 : rot 147:sc= 1.11 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 169:sc= 0.81 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -173:sc= -0.158 (180deg=-0.271) USER MOD Single : A 51 LYS NZ :NH3+ 151:sc= -0.151 (180deg=-0.84) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc=-0.00116 USER MOD Single : A 66 LYS NZ :NH3+ 151:sc= -0.227 (180deg=-0.828) USER MOD Single : A 72 THR OG1 : rot 87:sc= 1.16 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0768) USER MOD Single : A 78 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.54) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -82:sc= 1.2 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.162) USER MOD ----------------------------------------------------------------- ATOM 358 N VAL A 25 -5.251 -1.057 4.683 1.00 0.00 N ATOM 359 CA VAL A 25 -3.856 -0.761 4.995 1.00 0.00 C ATOM 360 C VAL A 25 -3.594 -0.867 6.494 1.00 0.00 C ATOM 361 O VAL A 25 -4.283 -0.242 7.299 1.00 0.00 O ATOM 362 CB VAL A 25 -3.458 0.645 4.508 1.00 0.00 C ATOM 363 CG1 VAL A 25 -2.010 0.948 4.865 1.00 0.00 C ATOM 364 CG2 VAL A 25 -3.682 0.774 3.010 1.00 0.00 C ATOM 0 HA VAL A 25 -3.249 -1.501 4.472 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.091 1.375 5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.749 1.946 4.512 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.885 0.902 5.947 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.357 0.214 4.392 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.395 1.774 2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.076 0.034 2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.735 0.607 2.784 1.00 0.00 H new ATOM 374 N THR A 26 -2.594 -1.663 6.860 1.00 0.00 N ATOM 375 CA THR A 26 -2.238 -1.851 8.262 1.00 0.00 C ATOM 376 C THR A 26 -1.031 -0.998 8.637 1.00 0.00 C ATOM 377 O THR A 26 -1.044 -0.302 9.653 1.00 0.00 O ATOM 378 CB THR A 26 -1.941 -3.325 8.544 1.00 0.00 C ATOM 379 OG1 THR A 26 -2.741 -4.162 7.729 1.00 0.00 O ATOM 380 CG2 THR A 26 -2.180 -3.720 9.985 1.00 0.00 C ATOM 0 H THR A 26 -2.016 -2.188 6.204 1.00 0.00 H new ATOM 0 HA THR A 26 -3.087 -1.536 8.869 1.00 0.00 H new ATOM 0 HB THR A 26 -0.882 -3.454 8.322 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.245 -4.979 7.512 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.950 -4.777 10.115 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.538 -3.126 10.636 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.224 -3.541 10.243 1.00 0.00 H new ATOM 388 N LYS A 27 0.011 -1.055 7.812 1.00 0.00 N ATOM 389 CA LYS A 27 1.228 -0.291 8.066 1.00 0.00 C ATOM 390 C LYS A 27 1.535 0.654 6.908 1.00 0.00 C ATOM 391 O LYS A 27 1.226 0.358 5.753 1.00 0.00 O ATOM 392 CB LYS A 27 2.408 -1.237 8.296 1.00 0.00 C ATOM 393 CG LYS A 27 3.608 -0.566 8.943 1.00 0.00 C ATOM 394 CD LYS A 27 4.907 -0.983 8.274 1.00 0.00 C ATOM 395 CE LYS A 27 5.551 -2.159 8.993 1.00 0.00 C ATOM 396 NZ LYS A 27 7.013 -2.241 8.727 1.00 0.00 N ATOM 0 H LYS A 27 0.037 -1.621 6.964 1.00 0.00 H new ATOM 0 HA LYS A 27 1.069 0.308 8.963 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.082 -2.065 8.926 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.712 -1.664 7.340 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.497 0.517 8.882 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.644 -0.824 10.001 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.713 -1.252 7.236 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.598 -0.140 8.261 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.382 -2.065 10.066 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.072 -3.085 8.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.413 -3.055 9.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.174 -2.357 7.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.475 -1.368 9.054 1.00 0.00 H new ATOM 410 N THR A 28 2.147 1.790 7.227 1.00 0.00 N ATOM 411 CA THR A 28 2.502 2.780 6.217 1.00 0.00 C ATOM 412 C THR A 28 3.940 3.254 6.404 1.00 0.00 C ATOM 413 O THR A 28 4.403 3.435 7.530 1.00 0.00 O ATOM 414 CB THR A 28 1.546 3.974 6.288 1.00 0.00 C ATOM 415 OG1 THR A 28 0.198 3.541 6.237 1.00 0.00 O ATOM 416 CG2 THR A 28 1.751 4.972 5.169 1.00 0.00 C ATOM 0 H THR A 28 2.408 2.048 8.179 1.00 0.00 H new ATOM 0 HA THR A 28 2.417 2.312 5.236 1.00 0.00 H new ATOM 0 HB THR A 28 1.767 4.465 7.236 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.397 4.318 6.285 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.042 5.793 5.279 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.768 5.363 5.212 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.591 4.480 4.209 1.00 0.00 H new ATOM 424 N LEU A 29 4.643 3.449 5.292 1.00 0.00 N ATOM 425 CA LEU A 29 6.024 3.900 5.332 1.00 0.00 C ATOM 426 C LEU A 29 6.151 5.313 4.775 1.00 0.00 C ATOM 427 O LEU A 29 5.970 5.539 3.579 1.00 0.00 O ATOM 428 CB LEU A 29 6.914 2.944 4.542 1.00 0.00 C ATOM 429 CG LEU A 29 8.400 3.035 4.882 1.00 0.00 C ATOM 430 CD1 LEU A 29 8.674 2.412 6.241 1.00 0.00 C ATOM 431 CD2 LEU A 29 9.240 2.368 3.803 1.00 0.00 C ATOM 0 H LEU A 29 4.275 3.301 4.352 1.00 0.00 H new ATOM 0 HA LEU A 29 6.348 3.911 6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.576 1.923 4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.785 3.143 3.478 1.00 0.00 H new ATOM 0 HG LEU A 29 8.679 4.088 4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.738 2.486 6.467 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.103 2.940 7.005 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.378 1.363 6.227 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.295 2.444 4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.961 1.317 3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.066 2.864 2.848 1.00 0.00 H new ATOM 443 N ASP A 30 6.455 6.262 5.654 1.00 0.00 N ATOM 444 CA ASP A 30 6.604 7.656 5.254 1.00 0.00 C ATOM 445 C ASP A 30 8.074 8.052 5.216 1.00 0.00 C ATOM 446 O ASP A 30 8.742 8.093 6.250 1.00 0.00 O ATOM 447 CB ASP A 30 5.841 8.570 6.216 1.00 0.00 C ATOM 448 CG ASP A 30 5.589 7.916 7.562 1.00 0.00 C ATOM 449 OD1 ASP A 30 6.534 7.850 8.376 1.00 0.00 O ATOM 450 OD2 ASP A 30 4.446 7.471 7.801 1.00 0.00 O ATOM 0 H ASP A 30 6.603 6.091 6.649 1.00 0.00 H new ATOM 0 HA ASP A 30 6.188 7.769 4.253 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.406 9.490 6.363 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.888 8.850 5.767 1.00 0.00 H new ATOM 455 N VAL A 31 8.579 8.335 4.019 1.00 0.00 N ATOM 456 CA VAL A 31 9.977 8.718 3.857 1.00 0.00 C ATOM 457 C VAL A 31 10.111 9.976 3.005 1.00 0.00 C ATOM 458 O VAL A 31 10.727 9.954 1.940 1.00 0.00 O ATOM 459 CB VAL A 31 10.811 7.584 3.221 1.00 0.00 C ATOM 460 CG1 VAL A 31 12.069 7.326 4.036 1.00 0.00 C ATOM 461 CG2 VAL A 31 9.987 6.311 3.084 1.00 0.00 C ATOM 0 H VAL A 31 8.044 8.307 3.151 1.00 0.00 H new ATOM 0 HA VAL A 31 10.362 8.918 4.857 1.00 0.00 H new ATOM 0 HB VAL A 31 11.107 7.901 2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.644 6.524 3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.673 8.233 4.070 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.793 7.036 5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.598 5.529 2.634 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.651 5.987 4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.121 6.505 2.451 1.00 0.00 H new ATOM 471 N ARG A 32 9.536 11.075 3.486 1.00 0.00 N ATOM 472 CA ARG A 32 9.609 12.347 2.772 1.00 0.00 C ATOM 473 C ARG A 32 11.050 12.836 2.708 1.00 0.00 C ATOM 474 O ARG A 32 11.780 12.536 1.762 1.00 0.00 O ATOM 475 CB ARG A 32 8.724 13.404 3.443 1.00 0.00 C ATOM 476 CG ARG A 32 7.638 12.828 4.338 1.00 0.00 C ATOM 477 CD ARG A 32 7.147 13.853 5.345 1.00 0.00 C ATOM 478 NE ARG A 32 6.714 13.230 6.593 1.00 0.00 N ATOM 479 CZ ARG A 32 7.550 12.725 7.495 1.00 0.00 C ATOM 480 NH1 ARG A 32 8.860 12.768 7.290 1.00 0.00 N ATOM 481 NH2 ARG A 32 7.074 12.176 8.604 1.00 0.00 N ATOM 0 H ARG A 32 9.017 11.111 4.363 1.00 0.00 H new ATOM 0 HA ARG A 32 9.243 12.187 1.758 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.354 14.067 4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.257 14.015 2.670 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.803 12.488 3.726 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.024 11.955 4.864 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.944 14.567 5.554 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.319 14.416 4.915 1.00 0.00 H new ATOM 0 HE ARG A 32 5.713 13.179 6.783 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.229 13.190 6.438 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.498 12.379 7.985 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.067 12.141 8.764 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.715 11.788 9.297 1.00 0.00 H new ATOM 631 N THR A 43 13.435 -0.668 5.255 1.00 0.00 N ATOM 632 CA THR A 43 12.558 -1.242 4.242 1.00 0.00 C ATOM 633 C THR A 43 12.959 -2.680 3.930 1.00 0.00 C ATOM 634 O THR A 43 12.103 -3.539 3.721 1.00 0.00 O ATOM 635 CB THR A 43 12.590 -0.395 2.966 1.00 0.00 C ATOM 636 OG1 THR A 43 11.623 -0.856 2.036 1.00 0.00 O ATOM 637 CG2 THR A 43 13.934 -0.395 2.271 1.00 0.00 C ATOM 0 HA THR A 43 11.541 -1.246 4.635 1.00 0.00 H new ATOM 0 HB THR A 43 12.375 0.622 3.293 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.532 -0.205 1.309 1.00 0.00 H new ATOM 0 HG21 THR A 43 13.881 0.225 1.376 1.00 0.00 H new ATOM 0 HG22 THR A 43 14.692 0.004 2.945 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.199 -1.415 1.991 1.00 0.00 H new ATOM 645 N LYS A 44 14.265 -2.939 3.920 1.00 0.00 N ATOM 646 CA LYS A 44 14.778 -4.276 3.644 1.00 0.00 C ATOM 647 C LYS A 44 14.145 -5.304 4.578 1.00 0.00 C ATOM 648 O LYS A 44 13.780 -6.400 4.154 1.00 0.00 O ATOM 649 CB LYS A 44 16.301 -4.303 3.802 1.00 0.00 C ATOM 650 CG LYS A 44 17.053 -4.077 2.500 1.00 0.00 C ATOM 651 CD LYS A 44 17.475 -5.392 1.865 1.00 0.00 C ATOM 652 CE LYS A 44 18.855 -5.822 2.335 1.00 0.00 C ATOM 653 NZ LYS A 44 18.834 -7.172 2.961 1.00 0.00 N ATOM 0 H LYS A 44 14.986 -2.240 4.100 1.00 0.00 H new ATOM 0 HA LYS A 44 14.519 -4.532 2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.597 -3.538 4.520 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.597 -5.265 4.221 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.422 -3.522 1.806 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.934 -3.464 2.689 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.748 -6.166 2.112 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.475 -5.289 0.780 1.00 0.00 H new ATOM 0 HE2 LYS A 44 19.542 -5.825 1.489 1.00 0.00 H new ATOM 0 HE3 LYS A 44 19.237 -5.095 3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.794 -7.427 3.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.199 -7.163 3.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.494 -7.870 2.269 1.00 0.00 H new ATOM 667 N ARG A 45 14.009 -4.935 5.846 1.00 0.00 N ATOM 668 CA ARG A 45 13.409 -5.816 6.840 1.00 0.00 C ATOM 669 C ARG A 45 11.923 -6.016 6.560 1.00 0.00 C ATOM 670 O ARG A 45 11.367 -7.080 6.834 1.00 0.00 O ATOM 671 CB ARG A 45 13.605 -5.245 8.241 1.00 0.00 C ATOM 672 CG ARG A 45 13.296 -6.235 9.354 1.00 0.00 C ATOM 673 CD ARG A 45 11.859 -6.107 9.835 1.00 0.00 C ATOM 674 NE ARG A 45 11.664 -4.928 10.674 1.00 0.00 N ATOM 675 CZ ARG A 45 11.485 -4.980 11.991 1.00 0.00 C ATOM 676 NH1 ARG A 45 11.481 -6.149 12.620 1.00 0.00 N ATOM 677 NH2 ARG A 45 11.312 -3.861 12.682 1.00 0.00 N ATOM 0 H ARG A 45 14.307 -4.030 6.210 1.00 0.00 H new ATOM 0 HA ARG A 45 13.905 -6.785 6.780 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.636 -4.906 8.344 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.968 -4.369 8.359 1.00 0.00 H new ATOM 0 HG2 ARG A 45 13.472 -7.250 8.998 1.00 0.00 H new ATOM 0 HG3 ARG A 45 13.976 -6.068 10.189 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.192 -6.053 8.974 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.584 -7.000 10.396 1.00 0.00 H new ATOM 0 HE ARG A 45 11.665 -4.012 10.225 1.00 0.00 H new ATOM 0 HH11 ARG A 45 11.616 -7.012 12.093 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.343 -6.184 13.630 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.316 -2.960 12.203 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.175 -3.901 13.692 1.00 0.00 H new ATOM 691 N ALA A 46 11.287 -4.983 6.016 1.00 0.00 N ATOM 692 CA ALA A 46 9.863 -5.038 5.702 1.00 0.00 C ATOM 693 C ALA A 46 9.562 -6.145 4.697 1.00 0.00 C ATOM 694 O ALA A 46 8.655 -6.952 4.904 1.00 0.00 O ATOM 695 CB ALA A 46 9.387 -3.695 5.169 1.00 0.00 C ATOM 0 H ALA A 46 11.736 -4.097 5.783 1.00 0.00 H new ATOM 0 HA ALA A 46 9.324 -5.264 6.622 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.323 -3.751 4.939 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.555 -2.925 5.921 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.941 -3.446 4.264 1.00 0.00 H new ATOM 701 N LEU A 47 10.326 -6.178 3.608 1.00 0.00 N ATOM 702 CA LEU A 47 10.139 -7.189 2.573 1.00 0.00 C ATOM 703 C LEU A 47 10.296 -8.595 3.145 1.00 0.00 C ATOM 704 O LEU A 47 9.524 -9.497 2.821 1.00 0.00 O ATOM 705 CB LEU A 47 11.134 -6.980 1.431 1.00 0.00 C ATOM 706 CG LEU A 47 10.815 -5.826 0.471 1.00 0.00 C ATOM 707 CD1 LEU A 47 9.335 -5.810 0.108 1.00 0.00 C ATOM 708 CD2 LEU A 47 11.233 -4.497 1.078 1.00 0.00 C ATOM 0 H LEU A 47 11.079 -5.517 3.420 1.00 0.00 H new ATOM 0 HA LEU A 47 9.126 -7.084 2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.121 -6.808 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.194 -7.902 0.853 1.00 0.00 H new ATOM 0 HG LEU A 47 11.384 -5.981 -0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.136 -4.983 -0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.069 -6.750 -0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.740 -5.686 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 47 10.999 -3.690 0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 47 10.695 -4.339 2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.305 -4.508 1.274 1.00 0.00 H new ATOM 720 N GLN A 48 11.304 -8.775 3.994 1.00 0.00 N ATOM 721 CA GLN A 48 11.567 -10.074 4.604 1.00 0.00 C ATOM 722 C GLN A 48 10.561 -10.373 5.710 1.00 0.00 C ATOM 723 O GLN A 48 10.431 -11.515 6.153 1.00 0.00 O ATOM 724 CB GLN A 48 12.987 -10.116 5.168 1.00 0.00 C ATOM 725 CG GLN A 48 13.921 -11.036 4.399 1.00 0.00 C ATOM 726 CD GLN A 48 15.333 -11.030 4.950 1.00 0.00 C ATOM 727 OE1 GLN A 48 15.680 -10.204 5.795 1.00 0.00 O ATOM 728 NE2 GLN A 48 16.158 -11.955 4.473 1.00 0.00 N ATOM 0 H GLN A 48 11.951 -8.038 4.275 1.00 0.00 H new ATOM 0 HA GLN A 48 11.465 -10.836 3.831 1.00 0.00 H new ATOM 0 HB2 GLN A 48 13.400 -9.107 5.164 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.946 -10.440 6.208 1.00 0.00 H new ATOM 0 HG2 GLN A 48 13.528 -12.052 4.428 1.00 0.00 H new ATOM 0 HG3 GLN A 48 13.943 -10.733 3.352 1.00 0.00 H new ATOM 0 HE21 GLN A 48 15.829 -12.620 3.773 1.00 0.00 H new ATOM 0 HE22 GLN A 48 17.121 -12.000 4.806 1.00 0.00 H new ATOM 737 N ASN A 49 9.852 -9.340 6.155 1.00 0.00 N ATOM 738 CA ASN A 49 8.859 -9.491 7.212 1.00 0.00 C ATOM 739 C ASN A 49 7.467 -9.124 6.708 1.00 0.00 C ATOM 740 O ASN A 49 6.838 -8.191 7.209 1.00 0.00 O ATOM 741 CB ASN A 49 9.229 -8.614 8.412 1.00 0.00 C ATOM 742 CG ASN A 49 9.195 -9.376 9.723 1.00 0.00 C ATOM 743 OD1 ASN A 49 8.194 -9.355 10.441 1.00 0.00 O ATOM 744 ND2 ASN A 49 10.292 -10.051 10.045 1.00 0.00 N ATOM 0 H ASN A 49 9.947 -8.389 5.799 1.00 0.00 H new ATOM 0 HA ASN A 49 8.848 -10.536 7.522 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.226 -8.201 8.262 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.540 -7.771 8.468 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.328 -10.580 10.917 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.099 -10.041 9.421 1.00 0.00 H new ATOM 751 N MET A 50 6.991 -9.866 5.713 1.00 0.00 N ATOM 752 CA MET A 50 5.672 -9.622 5.139 1.00 0.00 C ATOM 753 C MET A 50 4.695 -10.722 5.537 1.00 0.00 C ATOM 754 O MET A 50 5.078 -11.881 5.691 1.00 0.00 O ATOM 755 CB MET A 50 5.762 -9.529 3.617 1.00 0.00 C ATOM 756 CG MET A 50 6.370 -8.230 3.117 1.00 0.00 C ATOM 757 SD MET A 50 5.700 -6.780 3.954 1.00 0.00 S ATOM 758 CE MET A 50 6.429 -5.464 2.985 1.00 0.00 C ATOM 0 H MET A 50 7.499 -10.641 5.287 1.00 0.00 H new ATOM 0 HA MET A 50 5.303 -8.674 5.530 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.356 -10.364 3.246 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.762 -9.637 3.196 1.00 0.00 H new ATOM 0 HG2 MET A 50 7.450 -8.260 3.260 1.00 0.00 H new ATOM 0 HG3 MET A 50 6.193 -8.140 2.045 1.00 0.00 H new ATOM 0 HE1 MET A 50 6.211 -4.504 3.453 1.00 0.00 H new ATOM 0 HE2 MET A 50 7.509 -5.605 2.933 1.00 0.00 H new ATOM 0 HE3 MET A 50 6.012 -5.480 1.978 1.00 0.00 H new ATOM 768 N LYS A 51 3.429 -10.348 5.702 1.00 0.00 N ATOM 769 CA LYS A 51 2.391 -11.300 6.082 1.00 0.00 C ATOM 770 C LYS A 51 1.537 -11.683 4.872 1.00 0.00 C ATOM 771 O LYS A 51 1.578 -11.012 3.842 1.00 0.00 O ATOM 772 CB LYS A 51 1.512 -10.704 7.186 1.00 0.00 C ATOM 773 CG LYS A 51 2.303 -10.012 8.285 1.00 0.00 C ATOM 774 CD LYS A 51 1.385 -9.314 9.275 1.00 0.00 C ATOM 775 CE LYS A 51 1.454 -9.959 10.650 1.00 0.00 C ATOM 776 NZ LYS A 51 2.845 -9.997 11.178 1.00 0.00 N ATOM 0 H LYS A 51 3.098 -9.391 5.578 1.00 0.00 H new ATOM 0 HA LYS A 51 2.871 -12.203 6.459 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.820 -9.988 6.742 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.910 -11.498 7.628 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.917 -10.744 8.810 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.983 -9.285 7.842 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.662 -8.263 9.351 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.359 -9.347 8.907 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.818 -9.407 11.342 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.059 -10.973 10.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.823 -9.964 12.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.310 -10.875 10.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.376 -9.179 10.817 1.00 0.00 H new ATOM 790 N PRO A 52 0.757 -12.780 4.976 1.00 0.00 N ATOM 791 CA PRO A 52 -0.087 -13.270 3.881 1.00 0.00 C ATOM 792 C PRO A 52 -0.895 -12.168 3.198 1.00 0.00 C ATOM 793 O PRO A 52 -0.616 -11.809 2.055 1.00 0.00 O ATOM 794 CB PRO A 52 -1.029 -14.279 4.562 1.00 0.00 C ATOM 795 CG PRO A 52 -0.743 -14.191 6.027 1.00 0.00 C ATOM 796 CD PRO A 52 0.651 -13.652 6.151 1.00 0.00 C ATOM 0 HA PRO A 52 0.520 -13.699 3.084 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.072 -14.040 4.354 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.853 -15.289 4.191 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.459 -13.537 6.524 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.825 -15.170 6.499 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.792 -13.100 7.080 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.397 -14.447 6.136 1.00 0.00 H new ATOM 804 N GLY A 53 -1.931 -11.681 3.874 1.00 0.00 N ATOM 805 CA GLY A 53 -2.787 -10.660 3.293 1.00 0.00 C ATOM 806 C GLY A 53 -2.539 -9.277 3.860 1.00 0.00 C ATOM 807 O GLY A 53 -3.453 -8.648 4.394 1.00 0.00 O ATOM 0 H GLY A 53 -2.194 -11.975 4.815 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.632 -10.636 2.214 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.829 -10.932 3.459 1.00 0.00 H new ATOM 811 N GLU A 54 -1.310 -8.790 3.729 1.00 0.00 N ATOM 812 CA GLU A 54 -0.965 -7.462 4.233 1.00 0.00 C ATOM 813 C GLU A 54 -1.183 -6.388 3.174 1.00 0.00 C ATOM 814 O GLU A 54 -1.071 -6.645 1.976 1.00 0.00 O ATOM 815 CB GLU A 54 0.485 -7.416 4.712 1.00 0.00 C ATOM 816 CG GLU A 54 0.633 -7.604 6.212 1.00 0.00 C ATOM 817 CD GLU A 54 0.132 -6.409 7.001 1.00 0.00 C ATOM 818 OE1 GLU A 54 -1.081 -6.360 7.298 1.00 0.00 O ATOM 819 OE2 GLU A 54 0.951 -5.522 7.319 1.00 0.00 O ATOM 0 H GLU A 54 -0.540 -9.288 3.282 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.626 -7.260 5.076 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.054 -8.191 4.199 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.923 -6.459 4.429 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.084 -8.494 6.519 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.682 -7.779 6.451 1.00 0.00 H new ATOM 826 N ILE A 55 -1.479 -5.178 3.637 1.00 0.00 N ATOM 827 CA ILE A 55 -1.683 -4.034 2.758 1.00 0.00 C ATOM 828 C ILE A 55 -0.939 -2.821 3.307 1.00 0.00 C ATOM 829 O ILE A 55 -1.269 -2.319 4.380 1.00 0.00 O ATOM 830 CB ILE A 55 -3.178 -3.691 2.609 1.00 0.00 C ATOM 831 CG1 ILE A 55 -3.987 -4.952 2.296 1.00 0.00 C ATOM 832 CG2 ILE A 55 -3.375 -2.648 1.521 1.00 0.00 C ATOM 833 CD1 ILE A 55 -4.573 -5.618 3.523 1.00 0.00 C ATOM 0 H ILE A 55 -1.584 -4.964 4.629 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.294 -4.298 1.774 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.535 -3.278 3.552 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.796 -4.694 1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.346 -5.665 1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.436 -2.416 1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.827 -1.742 1.782 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.004 -3.037 0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.133 -6.504 3.224 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.768 -5.908 4.199 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.240 -4.922 4.031 1.00 0.00 H new ATOM 845 N LEU A 56 0.082 -2.369 2.583 1.00 0.00 N ATOM 846 CA LEU A 56 0.907 -1.259 3.044 1.00 0.00 C ATOM 847 C LEU A 56 0.846 -0.073 2.090 1.00 0.00 C ATOM 848 O LEU A 56 0.770 -0.238 0.873 1.00 0.00 O ATOM 849 CB LEU A 56 2.363 -1.712 3.186 1.00 0.00 C ATOM 850 CG LEU A 56 2.639 -2.768 4.265 1.00 0.00 C ATOM 851 CD1 LEU A 56 1.558 -2.772 5.336 1.00 0.00 C ATOM 852 CD2 LEU A 56 2.773 -4.146 3.636 1.00 0.00 C ATOM 0 H LEU A 56 0.356 -2.753 1.679 1.00 0.00 H new ATOM 0 HA LEU A 56 0.515 -0.942 4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.694 -2.108 2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.976 -0.836 3.398 1.00 0.00 H new ATOM 0 HG LEU A 56 3.580 -2.509 4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.788 -3.532 6.082 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.517 -1.794 5.815 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.593 -2.992 4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.969 -4.884 4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.848 -4.401 3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.598 -4.142 2.924 1.00 0.00 H new ATOM 864 N GLU A 57 0.909 1.127 2.659 1.00 0.00 N ATOM 865 CA GLU A 57 0.909 2.356 1.874 1.00 0.00 C ATOM 866 C GLU A 57 2.273 3.032 1.964 1.00 0.00 C ATOM 867 O GLU A 57 2.861 3.108 3.041 1.00 0.00 O ATOM 868 CB GLU A 57 -0.181 3.307 2.368 1.00 0.00 C ATOM 869 CG GLU A 57 -0.241 4.615 1.598 1.00 0.00 C ATOM 870 CD GLU A 57 -1.198 5.617 2.214 1.00 0.00 C ATOM 871 OE1 GLU A 57 -1.377 5.585 3.450 1.00 0.00 O ATOM 872 OE2 GLU A 57 -1.765 6.435 1.461 1.00 0.00 O ATOM 0 H GLU A 57 0.961 1.274 3.667 1.00 0.00 H new ATOM 0 HA GLU A 57 0.704 2.104 0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.147 2.808 2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.012 3.523 3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.757 5.052 1.555 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.545 4.413 0.571 1.00 0.00 H new ATOM 879 N VAL A 58 2.791 3.495 0.829 1.00 0.00 N ATOM 880 CA VAL A 58 4.106 4.131 0.803 1.00 0.00 C ATOM 881 C VAL A 58 4.106 5.415 -0.021 1.00 0.00 C ATOM 882 O VAL A 58 3.733 5.414 -1.193 1.00 0.00 O ATOM 883 CB VAL A 58 5.184 3.185 0.232 1.00 0.00 C ATOM 884 CG1 VAL A 58 6.561 3.578 0.746 1.00 0.00 C ATOM 885 CG2 VAL A 58 4.873 1.734 0.572 1.00 0.00 C ATOM 0 H VAL A 58 2.326 3.443 -0.077 1.00 0.00 H new ATOM 0 HA VAL A 58 4.341 4.371 1.840 1.00 0.00 H new ATOM 0 HB VAL A 58 5.181 3.281 -0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.310 2.901 0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.786 4.599 0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.575 3.515 1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.648 1.089 0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.840 1.613 1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.907 1.460 0.147 1.00 0.00 H new ATOM 895 N TRP A 59 4.569 6.500 0.594 1.00 0.00 N ATOM 896 CA TRP A 59 4.689 7.785 -0.092 1.00 0.00 C ATOM 897 C TRP A 59 6.130 8.278 -0.021 1.00 0.00 C ATOM 898 O TRP A 59 6.664 8.515 1.065 1.00 0.00 O ATOM 899 CB TRP A 59 3.742 8.833 0.506 1.00 0.00 C ATOM 900 CG TRP A 59 3.344 8.569 1.926 1.00 0.00 C ATOM 901 CD1 TRP A 59 4.166 8.246 2.966 1.00 0.00 C ATOM 902 CD2 TRP A 59 2.020 8.641 2.470 1.00 0.00 C ATOM 903 NE1 TRP A 59 3.433 8.094 4.119 1.00 0.00 N ATOM 904 CE2 TRP A 59 2.113 8.333 3.840 1.00 0.00 C ATOM 905 CE3 TRP A 59 0.763 8.929 1.928 1.00 0.00 C ATOM 906 CZ2 TRP A 59 1.000 8.307 4.675 1.00 0.00 C ATOM 907 CZ3 TRP A 59 -0.342 8.901 2.759 1.00 0.00 C ATOM 908 CH2 TRP A 59 -0.217 8.591 4.118 1.00 0.00 C ATOM 0 H TRP A 59 4.868 6.516 1.569 1.00 0.00 H new ATOM 0 HA TRP A 59 4.406 7.638 -1.134 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.221 9.811 0.451 1.00 0.00 H new ATOM 0 HB3 TRP A 59 2.842 8.884 -0.107 1.00 0.00 H new ATOM 0 HD1 TRP A 59 5.237 8.127 2.894 1.00 0.00 H new ATOM 0 HE1 TRP A 59 3.810 7.844 5.033 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.657 9.169 0.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 1.094 8.071 5.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -1.318 9.122 2.352 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.100 8.576 4.740 1.00 0.00 H new ATOM 919 N ILE A 60 6.776 8.372 -1.182 1.00 0.00 N ATOM 920 CA ILE A 60 8.173 8.790 -1.250 1.00 0.00 C ATOM 921 C ILE A 60 8.457 9.565 -2.530 1.00 0.00 C ATOM 922 O ILE A 60 7.541 9.909 -3.278 1.00 0.00 O ATOM 923 CB ILE A 60 9.136 7.582 -1.191 1.00 0.00 C ATOM 924 CG1 ILE A 60 8.372 6.283 -0.923 1.00 0.00 C ATOM 925 CG2 ILE A 60 10.201 7.801 -0.129 1.00 0.00 C ATOM 926 CD1 ILE A 60 7.852 5.617 -2.178 1.00 0.00 C ATOM 0 H ILE A 60 6.354 8.164 -2.087 1.00 0.00 H new ATOM 0 HA ILE A 60 8.342 9.430 -0.384 1.00 0.00 H new ATOM 0 HB ILE A 60 9.625 7.493 -2.161 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.027 5.588 -0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.533 6.495 -0.260 1.00 0.00 H new ATOM 0 HG21 ILE A 60 10.870 6.941 -0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 60 10.773 8.698 -0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.725 7.922 0.844 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.322 4.703 -1.912 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.171 6.294 -2.694 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.688 5.373 -2.834 1.00 0.00 H new ATOM 938 N ASP A 61 9.737 9.820 -2.781 1.00 0.00 N ATOM 939 CA ASP A 61 10.159 10.526 -3.983 1.00 0.00 C ATOM 940 C ASP A 61 10.775 9.553 -4.983 1.00 0.00 C ATOM 941 O ASP A 61 11.002 9.897 -6.143 1.00 0.00 O ATOM 942 CB ASP A 61 11.166 11.625 -3.633 1.00 0.00 C ATOM 943 CG ASP A 61 11.392 11.753 -2.139 1.00 0.00 C ATOM 944 OD1 ASP A 61 12.263 11.033 -1.606 1.00 0.00 O ATOM 945 OD2 ASP A 61 10.700 12.573 -1.501 1.00 0.00 O ATOM 0 H ASP A 61 10.502 9.546 -2.164 1.00 0.00 H new ATOM 0 HA ASP A 61 9.281 10.987 -4.436 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.116 11.412 -4.124 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.810 12.577 -4.026 1.00 0.00 H new ATOM 950 N TYR A 62 11.042 8.336 -4.519 1.00 0.00 N ATOM 951 CA TYR A 62 11.627 7.302 -5.365 1.00 0.00 C ATOM 952 C TYR A 62 10.823 6.006 -5.262 1.00 0.00 C ATOM 953 O TYR A 62 10.312 5.669 -4.194 1.00 0.00 O ATOM 954 CB TYR A 62 13.082 7.048 -4.966 1.00 0.00 C ATOM 955 CG TYR A 62 14.036 8.127 -5.428 1.00 0.00 C ATOM 956 CD1 TYR A 62 14.655 8.049 -6.670 1.00 0.00 C ATOM 957 CD2 TYR A 62 14.319 9.223 -4.623 1.00 0.00 C ATOM 958 CE1 TYR A 62 15.527 9.033 -7.096 1.00 0.00 C ATOM 959 CE2 TYR A 62 15.190 10.211 -5.042 1.00 0.00 C ATOM 960 CZ TYR A 62 15.791 10.111 -6.279 1.00 0.00 C ATOM 961 OH TYR A 62 16.658 11.093 -6.700 1.00 0.00 O ATOM 0 H TYR A 62 10.862 8.042 -3.559 1.00 0.00 H new ATOM 0 HA TYR A 62 11.600 7.649 -6.398 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.142 6.962 -3.881 1.00 0.00 H new ATOM 0 HB3 TYR A 62 13.401 6.091 -5.380 1.00 0.00 H new ATOM 0 HD1 TYR A 62 14.451 7.205 -7.313 1.00 0.00 H new ATOM 0 HD2 TYR A 62 13.851 9.305 -3.653 1.00 0.00 H new ATOM 0 HE1 TYR A 62 15.999 8.958 -8.064 1.00 0.00 H new ATOM 0 HE2 TYR A 62 15.399 11.057 -4.404 1.00 0.00 H new ATOM 0 HH TYR A 62 16.733 11.782 -6.007 1.00 0.00 H new ATOM 971 N PRO A 63 10.693 5.262 -6.376 1.00 0.00 N ATOM 972 CA PRO A 63 9.938 4.003 -6.401 1.00 0.00 C ATOM 973 C PRO A 63 10.610 2.903 -5.583 1.00 0.00 C ATOM 974 O PRO A 63 11.471 2.182 -6.086 1.00 0.00 O ATOM 975 CB PRO A 63 9.915 3.628 -7.884 1.00 0.00 C ATOM 976 CG PRO A 63 11.103 4.309 -8.469 1.00 0.00 C ATOM 977 CD PRO A 63 11.266 5.588 -7.696 1.00 0.00 C ATOM 0 HA PRO A 63 8.947 4.117 -5.962 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.972 2.548 -8.019 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.994 3.961 -8.362 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.993 3.685 -8.384 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.955 4.510 -9.530 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.313 5.881 -7.619 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.738 6.415 -8.171 1.00 0.00 H new ATOM 985 N MET A 64 10.205 2.774 -4.322 1.00 0.00 N ATOM 986 CA MET A 64 10.756 1.748 -3.442 1.00 0.00 C ATOM 987 C MET A 64 10.328 0.359 -3.904 1.00 0.00 C ATOM 988 O MET A 64 10.908 -0.653 -3.500 1.00 0.00 O ATOM 989 CB MET A 64 10.300 1.981 -2.001 1.00 0.00 C ATOM 990 CG MET A 64 11.302 2.760 -1.164 1.00 0.00 C ATOM 991 SD MET A 64 12.018 1.768 0.162 1.00 0.00 S ATOM 992 CE MET A 64 13.044 2.987 0.980 1.00 0.00 C ATOM 0 H MET A 64 9.498 3.367 -3.887 1.00 0.00 H new ATOM 0 HA MET A 64 11.843 1.811 -3.483 1.00 0.00 H new ATOM 0 HB2 MET A 64 9.352 2.519 -2.011 1.00 0.00 H new ATOM 0 HB3 MET A 64 10.115 1.017 -1.527 1.00 0.00 H new ATOM 0 HG2 MET A 64 12.100 3.128 -1.809 1.00 0.00 H new ATOM 0 HG3 MET A 64 10.810 3.633 -0.735 1.00 0.00 H new ATOM 0 HE1 MET A 64 13.555 2.525 1.825 1.00 0.00 H new ATOM 0 HE2 MET A 64 13.782 3.372 0.277 1.00 0.00 H new ATOM 0 HE3 MET A 64 12.421 3.807 1.337 1.00 0.00 H new ATOM 1002 N SER A 65 9.309 0.320 -4.754 1.00 0.00 N ATOM 1003 CA SER A 65 8.798 -0.938 -5.279 1.00 0.00 C ATOM 1004 C SER A 65 9.870 -1.663 -6.087 1.00 0.00 C ATOM 1005 O SER A 65 9.746 -2.854 -6.367 1.00 0.00 O ATOM 1006 CB SER A 65 7.564 -0.688 -6.149 1.00 0.00 C ATOM 1007 OG SER A 65 7.571 -1.511 -7.301 1.00 0.00 O ATOM 0 H SER A 65 8.820 1.148 -5.094 1.00 0.00 H new ATOM 0 HA SER A 65 8.515 -1.569 -4.436 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.662 -0.880 -5.568 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.534 0.360 -6.448 1.00 0.00 H new ATOM 0 HG SER A 65 6.770 -1.331 -7.837 1.00 0.00 H new ATOM 1013 N LYS A 66 10.924 -0.937 -6.452 1.00 0.00 N ATOM 1014 CA LYS A 66 12.019 -1.513 -7.224 1.00 0.00 C ATOM 1015 C LYS A 66 12.629 -2.704 -6.492 1.00 0.00 C ATOM 1016 O LYS A 66 13.093 -3.658 -7.116 1.00 0.00 O ATOM 1017 CB LYS A 66 13.093 -0.455 -7.498 1.00 0.00 C ATOM 1018 CG LYS A 66 13.837 0.002 -6.252 1.00 0.00 C ATOM 1019 CD LYS A 66 15.331 0.122 -6.509 1.00 0.00 C ATOM 1020 CE LYS A 66 15.706 1.516 -6.987 1.00 0.00 C ATOM 1021 NZ LYS A 66 15.378 2.559 -5.976 1.00 0.00 N ATOM 0 H LYS A 66 11.042 0.050 -6.225 1.00 0.00 H new ATOM 0 HA LYS A 66 11.618 -1.862 -8.176 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.812 -0.857 -8.212 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.626 0.410 -7.969 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.444 0.965 -5.925 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.662 -0.706 -5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 66 15.878 -0.109 -5.595 1.00 0.00 H new ATOM 0 HD3 LYS A 66 15.633 -0.613 -7.255 1.00 0.00 H new ATOM 0 HE2 LYS A 66 16.773 1.549 -7.209 1.00 0.00 H new ATOM 0 HE3 LYS A 66 15.180 1.734 -7.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.038 3.357 -6.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.405 2.894 -6.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.462 2.156 -5.021 1.00 0.00 H new ATOM 1035 N GLU A 67 12.628 -2.638 -5.164 1.00 0.00 N ATOM 1036 CA GLU A 67 13.155 -3.719 -4.339 1.00 0.00 C ATOM 1037 C GLU A 67 12.033 -4.660 -3.916 1.00 0.00 C ATOM 1038 O GLU A 67 12.252 -5.853 -3.687 1.00 0.00 O ATOM 1039 CB GLU A 67 13.855 -3.150 -3.104 1.00 0.00 C ATOM 1040 CG GLU A 67 15.166 -3.845 -2.778 1.00 0.00 C ATOM 1041 CD GLU A 67 16.332 -2.880 -2.688 1.00 0.00 C ATOM 1042 OE1 GLU A 67 16.139 -1.759 -2.171 1.00 0.00 O ATOM 1043 OE2 GLU A 67 17.440 -3.245 -3.135 1.00 0.00 O ATOM 0 H GLU A 67 12.267 -1.844 -4.635 1.00 0.00 H new ATOM 0 HA GLU A 67 13.880 -4.281 -4.928 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.045 -2.088 -3.260 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.186 -3.232 -2.247 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.065 -4.377 -1.832 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.376 -4.593 -3.543 1.00 0.00 H new ATOM 1050 N ARG A 68 10.825 -4.117 -3.824 1.00 0.00 N ATOM 1051 CA ARG A 68 9.665 -4.903 -3.431 1.00 0.00 C ATOM 1052 C ARG A 68 9.338 -5.965 -4.478 1.00 0.00 C ATOM 1053 O ARG A 68 8.866 -7.049 -4.144 1.00 0.00 O ATOM 1054 CB ARG A 68 8.455 -3.992 -3.215 1.00 0.00 C ATOM 1055 CG ARG A 68 8.642 -2.991 -2.087 1.00 0.00 C ATOM 1056 CD ARG A 68 7.315 -2.398 -1.642 1.00 0.00 C ATOM 1057 NE ARG A 68 7.474 -1.052 -1.096 1.00 0.00 N ATOM 1058 CZ ARG A 68 7.779 -0.802 0.173 1.00 0.00 C ATOM 1059 NH1 ARG A 68 7.957 -1.803 1.026 1.00 0.00 N ATOM 1060 NH2 ARG A 68 7.907 0.451 0.591 1.00 0.00 N ATOM 0 H ARG A 68 10.625 -3.136 -4.016 1.00 0.00 H new ATOM 0 HA ARG A 68 9.904 -5.408 -2.495 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.248 -3.452 -4.139 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.581 -4.607 -3.003 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.125 -3.481 -1.241 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.307 -2.192 -2.415 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.629 -2.367 -2.489 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.863 -3.044 -0.889 1.00 0.00 H new ATOM 0 HE ARG A 68 7.343 -0.259 -1.725 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.860 -2.767 0.708 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.191 -1.608 1.999 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.771 1.223 -0.062 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.141 0.642 1.565 1.00 0.00 H new ATOM 1074 N ILE A 69 9.599 -5.652 -5.745 1.00 0.00 N ATOM 1075 CA ILE A 69 9.309 -6.580 -6.836 1.00 0.00 C ATOM 1076 C ILE A 69 10.141 -7.865 -6.728 1.00 0.00 C ATOM 1077 O ILE A 69 9.582 -8.959 -6.717 1.00 0.00 O ATOM 1078 CB ILE A 69 9.534 -5.930 -8.217 1.00 0.00 C ATOM 1079 CG1 ILE A 69 8.592 -4.738 -8.402 1.00 0.00 C ATOM 1080 CG2 ILE A 69 9.326 -6.949 -9.329 1.00 0.00 C ATOM 1081 CD1 ILE A 69 9.130 -3.683 -9.344 1.00 0.00 C ATOM 0 H ILE A 69 10.009 -4.766 -6.041 1.00 0.00 H new ATOM 0 HA ILE A 69 8.255 -6.840 -6.743 1.00 0.00 H new ATOM 0 HB ILE A 69 10.563 -5.573 -8.267 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.635 -5.097 -8.780 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.400 -4.282 -7.430 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.489 -6.472 -10.295 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.032 -7.771 -9.206 1.00 0.00 H new ATOM 0 HG23 ILE A 69 8.308 -7.335 -9.283 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.410 -2.869 -9.427 1.00 0.00 H new ATOM 0 HD12 ILE A 69 10.073 -3.296 -8.957 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.295 -4.123 -10.327 1.00 0.00 H new ATOM 1093 N PRO A 70 11.488 -7.762 -6.657 1.00 0.00 N ATOM 1094 CA PRO A 70 12.359 -8.941 -6.569 1.00 0.00 C ATOM 1095 C PRO A 70 12.024 -9.829 -5.373 1.00 0.00 C ATOM 1096 O PRO A 70 12.169 -11.051 -5.437 1.00 0.00 O ATOM 1097 CB PRO A 70 13.771 -8.357 -6.429 1.00 0.00 C ATOM 1098 CG PRO A 70 13.578 -6.924 -6.068 1.00 0.00 C ATOM 1099 CD PRO A 70 12.267 -6.513 -6.672 1.00 0.00 C ATOM 0 HA PRO A 70 12.244 -9.585 -7.441 1.00 0.00 H new ATOM 0 HB2 PRO A 70 14.338 -8.882 -5.660 1.00 0.00 H new ATOM 0 HB3 PRO A 70 14.330 -8.455 -7.360 1.00 0.00 H new ATOM 0 HG2 PRO A 70 13.566 -6.793 -4.986 1.00 0.00 H new ATOM 0 HG3 PRO A 70 14.393 -6.312 -6.454 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.783 -5.729 -6.090 1.00 0.00 H new ATOM 0 HD3 PRO A 70 12.392 -6.128 -7.684 1.00 0.00 H new ATOM 1107 N GLU A 71 11.564 -9.218 -4.287 1.00 0.00 N ATOM 1108 CA GLU A 71 11.216 -9.969 -3.085 1.00 0.00 C ATOM 1109 C GLU A 71 9.903 -10.731 -3.267 1.00 0.00 C ATOM 1110 O GLU A 71 9.868 -11.963 -3.182 1.00 0.00 O ATOM 1111 CB GLU A 71 11.114 -9.029 -1.884 1.00 0.00 C ATOM 1112 CG GLU A 71 12.357 -9.033 -1.009 1.00 0.00 C ATOM 1113 CD GLU A 71 13.463 -8.155 -1.562 1.00 0.00 C ATOM 1114 OE1 GLU A 71 14.185 -8.613 -2.471 1.00 0.00 O ATOM 1115 OE2 GLU A 71 13.606 -7.010 -1.083 1.00 0.00 O ATOM 0 H GLU A 71 11.424 -8.210 -4.213 1.00 0.00 H new ATOM 0 HA GLU A 71 12.008 -10.696 -2.904 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.932 -8.015 -2.240 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.252 -9.314 -1.280 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.093 -8.691 -0.008 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.724 -10.055 -0.911 1.00 0.00 H new ATOM 1122 N THR A 72 8.823 -9.996 -3.517 1.00 0.00 N ATOM 1123 CA THR A 72 7.512 -10.610 -3.688 1.00 0.00 C ATOM 1124 C THR A 72 7.499 -11.568 -4.875 1.00 0.00 C ATOM 1125 O THR A 72 6.694 -12.496 -4.918 1.00 0.00 O ATOM 1126 CB THR A 72 6.432 -9.542 -3.868 1.00 0.00 C ATOM 1127 OG1 THR A 72 6.862 -8.299 -3.343 1.00 0.00 O ATOM 1128 CG2 THR A 72 5.130 -9.896 -3.190 1.00 0.00 C ATOM 0 H THR A 72 8.830 -8.980 -3.605 1.00 0.00 H new ATOM 0 HA THR A 72 7.298 -11.180 -2.784 1.00 0.00 H new ATOM 0 HB THR A 72 6.263 -9.479 -4.943 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.356 -7.806 -4.031 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.405 -9.099 -3.355 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.745 -10.828 -3.605 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.298 -10.018 -2.120 1.00 0.00 H new ATOM 1136 N VAL A 73 8.393 -11.346 -5.837 1.00 0.00 N ATOM 1137 CA VAL A 73 8.473 -12.223 -7.000 1.00 0.00 C ATOM 1138 C VAL A 73 9.141 -13.538 -6.624 1.00 0.00 C ATOM 1139 O VAL A 73 8.837 -14.585 -7.196 1.00 0.00 O ATOM 1140 CB VAL A 73 9.218 -11.571 -8.181 1.00 0.00 C ATOM 1141 CG1 VAL A 73 10.723 -11.594 -7.963 1.00 0.00 C ATOM 1142 CG2 VAL A 73 8.852 -12.264 -9.484 1.00 0.00 C ATOM 0 H VAL A 73 9.063 -10.577 -5.834 1.00 0.00 H new ATOM 0 HA VAL A 73 7.451 -12.412 -7.328 1.00 0.00 H new ATOM 0 HB VAL A 73 8.908 -10.528 -8.243 1.00 0.00 H new ATOM 0 HG11 VAL A 73 11.221 -11.127 -8.813 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.967 -11.046 -7.053 1.00 0.00 H new ATOM 0 HG13 VAL A 73 11.061 -12.626 -7.867 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.386 -11.793 -10.309 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.129 -13.317 -9.427 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.778 -12.180 -9.652 1.00 0.00 H new ATOM 1152 N LYS A 74 10.024 -13.483 -5.627 1.00 0.00 N ATOM 1153 CA LYS A 74 10.678 -14.685 -5.133 1.00 0.00 C ATOM 1154 C LYS A 74 9.620 -15.667 -4.657 1.00 0.00 C ATOM 1155 O LYS A 74 9.661 -16.854 -4.981 1.00 0.00 O ATOM 1156 CB LYS A 74 11.636 -14.344 -3.990 1.00 0.00 C ATOM 1157 CG LYS A 74 12.927 -15.145 -4.019 1.00 0.00 C ATOM 1158 CD LYS A 74 14.136 -14.246 -4.218 1.00 0.00 C ATOM 1159 CE LYS A 74 15.436 -15.019 -4.068 1.00 0.00 C ATOM 1160 NZ LYS A 74 15.938 -15.522 -5.376 1.00 0.00 N ATOM 0 H LYS A 74 10.299 -12.624 -5.151 1.00 0.00 H new ATOM 0 HA LYS A 74 11.258 -15.135 -5.938 1.00 0.00 H new ATOM 0 HB2 LYS A 74 11.876 -13.282 -4.033 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.131 -14.518 -3.040 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.034 -15.699 -3.086 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.882 -15.880 -4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.094 -13.792 -5.208 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.109 -13.433 -3.493 1.00 0.00 H new ATOM 0 HE2 LYS A 74 16.190 -14.376 -3.613 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.282 -15.859 -3.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.826 -16.043 -5.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.230 -16.156 -5.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 16.109 -14.719 -6.014 1.00 0.00 H new ATOM 1174 N LYS A 75 8.632 -15.139 -3.939 1.00 0.00 N ATOM 1175 CA LYS A 75 7.510 -15.949 -3.476 1.00 0.00 C ATOM 1176 C LYS A 75 6.419 -16.004 -4.551 1.00 0.00 C ATOM 1177 O LYS A 75 6.291 -16.999 -5.264 1.00 0.00 O ATOM 1178 CB LYS A 75 6.941 -15.412 -2.152 1.00 0.00 C ATOM 1179 CG LYS A 75 6.751 -13.902 -2.107 1.00 0.00 C ATOM 1180 CD LYS A 75 7.483 -13.282 -0.930 1.00 0.00 C ATOM 1181 CE LYS A 75 6.542 -13.034 0.238 1.00 0.00 C ATOM 1182 NZ LYS A 75 6.660 -11.647 0.765 1.00 0.00 N ATOM 0 H LYS A 75 8.586 -14.157 -3.666 1.00 0.00 H new ATOM 0 HA LYS A 75 7.874 -16.960 -3.292 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.980 -15.891 -1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.607 -15.705 -1.341 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.114 -13.461 -3.035 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.688 -13.670 -2.038 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.292 -13.941 -0.614 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.940 -12.341 -1.238 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.515 -13.215 -0.079 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.759 -13.744 1.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.901 -11.472 1.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.583 -11.529 1.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.578 -10.969 -0.020 1.00 0.00 H new ATOM 1196 N LEU A 76 5.633 -14.934 -4.658 1.00 0.00 N ATOM 1197 CA LEU A 76 4.585 -14.846 -5.673 1.00 0.00 C ATOM 1198 C LEU A 76 5.064 -14.031 -6.873 1.00 0.00 C ATOM 1199 O LEU A 76 5.766 -14.544 -7.745 1.00 0.00 O ATOM 1200 CB LEU A 76 3.312 -14.220 -5.089 1.00 0.00 C ATOM 1201 CG LEU A 76 3.536 -13.178 -3.990 1.00 0.00 C ATOM 1202 CD1 LEU A 76 2.728 -11.923 -4.279 1.00 0.00 C ATOM 1203 CD2 LEU A 76 3.171 -13.750 -2.628 1.00 0.00 C ATOM 0 H LEU A 76 5.702 -14.115 -4.054 1.00 0.00 H new ATOM 0 HA LEU A 76 4.354 -15.858 -6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.752 -13.753 -5.900 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.687 -15.018 -4.688 1.00 0.00 H new ATOM 0 HG LEU A 76 4.593 -12.912 -3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.897 -11.191 -3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.038 -11.503 -5.236 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.668 -12.174 -4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.337 -12.995 -1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.122 -14.045 -2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.793 -14.621 -2.421 1.00 0.00 H new ATOM 1215 N GLY A 77 4.681 -12.756 -6.905 1.00 0.00 N ATOM 1216 CA GLY A 77 5.087 -11.875 -7.983 1.00 0.00 C ATOM 1217 C GLY A 77 5.313 -10.456 -7.498 1.00 0.00 C ATOM 1218 O GLY A 77 6.449 -10.046 -7.260 1.00 0.00 O ATOM 0 H GLY A 77 4.092 -12.317 -6.197 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.003 -12.254 -8.436 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.323 -11.876 -8.760 1.00 0.00 H new ATOM 1222 N HIS A 78 4.228 -9.702 -7.353 1.00 0.00 N ATOM 1223 CA HIS A 78 4.316 -8.327 -6.873 1.00 0.00 C ATOM 1224 C HIS A 78 3.096 -7.964 -6.035 1.00 0.00 C ATOM 1225 O HIS A 78 2.001 -8.481 -6.256 1.00 0.00 O ATOM 1226 CB HIS A 78 4.450 -7.352 -8.048 1.00 0.00 C ATOM 1227 CG HIS A 78 4.019 -7.926 -9.363 1.00 0.00 C ATOM 1228 ND1 HIS A 78 2.753 -8.431 -9.545 1.00 0.00 N ATOM 1229 CD2 HIS A 78 4.716 -8.050 -10.519 1.00 0.00 C ATOM 1230 CE1 HIS A 78 2.707 -8.849 -10.798 1.00 0.00 C ATOM 1231 NE2 HIS A 78 3.873 -8.638 -11.426 1.00 0.00 N ATOM 0 H HIS A 78 3.281 -10.018 -7.560 1.00 0.00 H new ATOM 0 HA HIS A 78 5.204 -8.249 -6.246 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.857 -6.462 -7.839 1.00 0.00 H new ATOM 0 HB3 HIS A 78 5.489 -7.031 -8.125 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.737 -7.745 -10.692 1.00 0.00 H new ATOM 0 HE1 HIS A 78 1.841 -9.302 -11.257 1.00 0.00 H new ATOM 0 HE2 HIS A 78 4.091 -8.871 -12.395 1.00 0.00 H new ATOM 1239 N GLU A 79 3.294 -7.072 -5.072 1.00 0.00 N ATOM 1240 CA GLU A 79 2.220 -6.604 -4.229 1.00 0.00 C ATOM 1241 C GLU A 79 1.713 -5.275 -4.763 1.00 0.00 C ATOM 1242 O GLU A 79 1.775 -4.252 -4.087 1.00 0.00 O ATOM 1243 CB GLU A 79 2.715 -6.454 -2.789 1.00 0.00 C ATOM 1244 CG GLU A 79 4.214 -6.662 -2.628 1.00 0.00 C ATOM 1245 CD GLU A 79 4.602 -7.053 -1.215 1.00 0.00 C ATOM 1246 OE1 GLU A 79 4.252 -8.174 -0.792 1.00 0.00 O ATOM 1247 OE2 GLU A 79 5.261 -6.239 -0.534 1.00 0.00 O ATOM 0 H GLU A 79 4.202 -6.659 -4.860 1.00 0.00 H new ATOM 0 HA GLU A 79 1.403 -7.326 -4.235 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.455 -5.459 -2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.189 -7.170 -2.158 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.545 -7.437 -3.319 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.736 -5.745 -2.903 1.00 0.00 H new ATOM 1254 N VAL A 80 1.260 -5.295 -6.008 1.00 0.00 N ATOM 1255 CA VAL A 80 0.797 -4.088 -6.674 1.00 0.00 C ATOM 1256 C VAL A 80 -0.723 -3.987 -6.628 1.00 0.00 C ATOM 1257 O VAL A 80 -1.431 -4.907 -7.038 1.00 0.00 O ATOM 1258 CB VAL A 80 1.273 -4.050 -8.142 1.00 0.00 C ATOM 1259 CG1 VAL A 80 1.120 -5.421 -8.790 1.00 0.00 C ATOM 1260 CG2 VAL A 80 0.523 -2.988 -8.933 1.00 0.00 C ATOM 0 H VAL A 80 1.203 -6.138 -6.579 1.00 0.00 H new ATOM 0 HA VAL A 80 1.223 -3.238 -6.142 1.00 0.00 H new ATOM 0 HB VAL A 80 2.330 -3.785 -8.149 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.461 -5.375 -9.824 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.718 -6.150 -8.244 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.072 -5.720 -8.766 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.878 -2.983 -9.963 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.544 -3.209 -8.918 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.697 -2.010 -8.485 1.00 0.00 H new ATOM 1270 N LEU A 81 -1.214 -2.861 -6.125 1.00 0.00 N ATOM 1271 CA LEU A 81 -2.648 -2.638 -6.018 1.00 0.00 C ATOM 1272 C LEU A 81 -3.026 -1.253 -6.529 1.00 0.00 C ATOM 1273 O LEU A 81 -4.083 -1.076 -7.135 1.00 0.00 O ATOM 1274 CB LEU A 81 -3.110 -2.813 -4.568 1.00 0.00 C ATOM 1275 CG LEU A 81 -2.859 -1.613 -3.654 1.00 0.00 C ATOM 1276 CD1 LEU A 81 -4.174 -0.952 -3.271 1.00 0.00 C ATOM 1277 CD2 LEU A 81 -2.091 -2.038 -2.414 1.00 0.00 C ATOM 0 H LEU A 81 -0.640 -2.089 -5.785 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.151 -3.379 -6.639 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.178 -3.032 -4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.606 -3.682 -4.146 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.255 -0.886 -4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.977 -0.100 -2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.685 -0.611 -4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.803 -1.671 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.922 -1.171 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.667 -2.784 -1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.132 -2.464 -2.708 1.00 0.00 H new ATOM 1289 N GLU A 82 -2.159 -0.277 -6.289 1.00 0.00 N ATOM 1290 CA GLU A 82 -2.425 1.089 -6.735 1.00 0.00 C ATOM 1291 C GLU A 82 -1.137 1.876 -6.958 1.00 0.00 C ATOM 1292 O GLU A 82 -0.158 1.706 -6.234 1.00 0.00 O ATOM 1293 CB GLU A 82 -3.308 1.811 -5.718 1.00 0.00 C ATOM 1294 CG GLU A 82 -4.599 2.354 -6.309 1.00 0.00 C ATOM 1295 CD GLU A 82 -4.643 3.869 -6.326 1.00 0.00 C ATOM 1296 OE1 GLU A 82 -3.580 4.492 -6.534 1.00 0.00 O ATOM 1297 OE2 GLU A 82 -5.741 4.434 -6.131 1.00 0.00 O ATOM 0 H GLU A 82 -1.276 -0.401 -5.794 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.945 1.027 -7.691 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.550 1.124 -4.907 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.744 2.635 -5.280 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.714 1.980 -7.326 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.444 1.977 -5.733 1.00 0.00 H new ATOM 1304 N ILE A 83 -1.155 2.745 -7.968 1.00 0.00 N ATOM 1305 CA ILE A 83 -0.009 3.594 -8.287 1.00 0.00 C ATOM 1306 C ILE A 83 -0.481 4.966 -8.764 1.00 0.00 C ATOM 1307 O ILE A 83 -1.325 5.061 -9.657 1.00 0.00 O ATOM 1308 CB ILE A 83 0.888 2.965 -9.375 1.00 0.00 C ATOM 1309 CG1 ILE A 83 1.290 1.541 -8.988 1.00 0.00 C ATOM 1310 CG2 ILE A 83 2.126 3.821 -9.602 1.00 0.00 C ATOM 1311 CD1 ILE A 83 0.508 0.471 -9.719 1.00 0.00 C ATOM 0 H ILE A 83 -1.957 2.880 -8.583 1.00 0.00 H new ATOM 0 HA ILE A 83 0.577 3.697 -7.374 1.00 0.00 H new ATOM 0 HB ILE A 83 0.319 2.921 -10.304 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.352 1.405 -9.190 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.150 1.412 -7.915 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.748 3.364 -10.372 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.825 4.818 -9.923 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.693 3.894 -8.674 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.847 -0.513 -9.394 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.554 0.581 -9.497 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.667 0.573 -10.792 1.00 0.00 H new ATOM 1323 N GLU A 84 0.053 6.027 -8.161 1.00 0.00 N ATOM 1324 CA GLU A 84 -0.342 7.386 -8.523 1.00 0.00 C ATOM 1325 C GLU A 84 0.799 8.374 -8.317 1.00 0.00 C ATOM 1326 O GLU A 84 1.900 8.002 -7.914 1.00 0.00 O ATOM 1327 CB GLU A 84 -1.556 7.818 -7.698 1.00 0.00 C ATOM 1328 CG GLU A 84 -1.388 7.592 -6.205 1.00 0.00 C ATOM 1329 CD GLU A 84 -2.710 7.599 -5.460 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -3.739 7.239 -6.070 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -2.716 7.966 -4.266 1.00 0.00 O ATOM 0 H GLU A 84 0.756 5.972 -7.424 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.601 7.385 -9.582 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.749 8.876 -7.877 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.433 7.271 -8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.888 6.638 -6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.740 8.367 -5.795 1.00 0.00 H new ATOM 1338 N GLU A 85 0.512 9.643 -8.589 1.00 0.00 N ATOM 1339 CA GLU A 85 1.500 10.708 -8.447 1.00 0.00 C ATOM 1340 C GLU A 85 0.903 11.899 -7.703 1.00 0.00 C ATOM 1341 O GLU A 85 -0.315 12.011 -7.569 1.00 0.00 O ATOM 1342 CB GLU A 85 2.007 11.156 -9.822 1.00 0.00 C ATOM 1343 CG GLU A 85 1.948 10.068 -10.882 1.00 0.00 C ATOM 1344 CD GLU A 85 1.743 10.623 -12.278 1.00 0.00 C ATOM 1345 OE1 GLU A 85 2.748 10.980 -12.928 1.00 0.00 O ATOM 1346 OE2 GLU A 85 0.578 10.701 -12.720 1.00 0.00 O ATOM 0 H GLU A 85 -0.402 9.961 -8.911 1.00 0.00 H new ATOM 0 HA GLU A 85 2.339 10.318 -7.870 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.416 12.009 -10.157 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.037 11.500 -9.725 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.872 9.491 -10.857 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.136 9.380 -10.646 1.00 0.00 H new ATOM 1353 N VAL A 86 1.769 12.785 -7.214 1.00 0.00 N ATOM 1354 CA VAL A 86 1.323 13.961 -6.473 1.00 0.00 C ATOM 1355 C VAL A 86 1.863 15.247 -7.091 1.00 0.00 C ATOM 1356 O VAL A 86 1.125 15.998 -7.729 1.00 0.00 O ATOM 1357 CB VAL A 86 1.755 13.892 -4.997 1.00 0.00 C ATOM 1358 CG1 VAL A 86 1.242 15.102 -4.230 1.00 0.00 C ATOM 1359 CG2 VAL A 86 1.259 12.604 -4.363 1.00 0.00 C ATOM 0 H VAL A 86 2.781 12.710 -7.318 1.00 0.00 H new ATOM 0 HA VAL A 86 0.234 13.970 -6.526 1.00 0.00 H new ATOM 0 HB VAL A 86 2.844 13.901 -4.954 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.558 15.034 -3.189 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.646 16.012 -4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.153 15.128 -4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.572 12.568 -3.319 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.171 12.567 -4.417 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.678 11.751 -4.897 1.00 0.00 H new ATOM 1369 N GLY A 87 3.155 15.495 -6.896 1.00 0.00 N ATOM 1370 CA GLY A 87 3.766 16.699 -7.426 1.00 0.00 C ATOM 1371 C GLY A 87 4.939 16.408 -8.344 1.00 0.00 C ATOM 1372 O GLY A 87 4.879 15.481 -9.152 1.00 0.00 O ATOM 0 H GLY A 87 3.788 14.884 -6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.016 17.271 -7.972 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.104 17.324 -6.599 1.00 0.00 H new ATOM 1376 N PRO A 88 6.027 17.195 -8.248 1.00 0.00 N ATOM 1377 CA PRO A 88 7.209 17.015 -9.098 1.00 0.00 C ATOM 1378 C PRO A 88 7.856 15.645 -8.916 1.00 0.00 C ATOM 1379 O PRO A 88 7.625 14.732 -9.709 1.00 0.00 O ATOM 1380 CB PRO A 88 8.162 18.126 -8.639 1.00 0.00 C ATOM 1381 CG PRO A 88 7.296 19.121 -7.947 1.00 0.00 C ATOM 1382 CD PRO A 88 6.183 18.330 -7.324 1.00 0.00 C ATOM 0 HA PRO A 88 6.955 17.069 -10.157 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.928 17.736 -7.968 1.00 0.00 H new ATOM 0 HB3 PRO A 88 8.680 18.576 -9.486 1.00 0.00 H new ATOM 0 HG2 PRO A 88 7.857 19.669 -7.190 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.907 19.857 -8.650 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.437 17.999 -6.317 1.00 0.00 H new ATOM 0 HD3 PRO A 88 5.267 18.915 -7.245 1.00 0.00 H new ATOM 1390 N SER A 89 8.675 15.509 -7.876 1.00 0.00 N ATOM 1391 CA SER A 89 9.362 14.251 -7.606 1.00 0.00 C ATOM 1392 C SER A 89 8.656 13.460 -6.511 1.00 0.00 C ATOM 1393 O SER A 89 9.103 12.379 -6.128 1.00 0.00 O ATOM 1394 CB SER A 89 10.815 14.517 -7.205 1.00 0.00 C ATOM 1395 OG SER A 89 10.886 15.393 -6.093 1.00 0.00 O ATOM 0 H SER A 89 8.878 16.253 -7.209 1.00 0.00 H new ATOM 0 HA SER A 89 9.345 13.657 -8.520 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.306 13.575 -6.962 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.355 14.950 -8.048 1.00 0.00 H new ATOM 0 HG SER A 89 11.825 15.545 -5.856 1.00 0.00 H new ATOM 1401 N GLU A 90 7.551 14.002 -6.015 1.00 0.00 N ATOM 1402 CA GLU A 90 6.774 13.339 -4.971 1.00 0.00 C ATOM 1403 C GLU A 90 5.663 12.490 -5.581 1.00 0.00 C ATOM 1404 O GLU A 90 4.791 13.005 -6.280 1.00 0.00 O ATOM 1405 CB GLU A 90 6.174 14.369 -4.009 1.00 0.00 C ATOM 1406 CG GLU A 90 5.834 15.699 -4.666 1.00 0.00 C ATOM 1407 CD GLU A 90 5.934 16.868 -3.706 1.00 0.00 C ATOM 1408 OE1 GLU A 90 6.019 16.628 -2.483 1.00 0.00 O ATOM 1409 OE2 GLU A 90 5.924 18.025 -4.177 1.00 0.00 O ATOM 0 H GLU A 90 7.171 14.899 -6.318 1.00 0.00 H new ATOM 0 HA GLU A 90 7.447 12.687 -4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.270 13.953 -3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.878 14.546 -3.196 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.507 15.866 -5.507 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.823 15.652 -5.071 1.00 0.00 H new ATOM 1416 N TRP A 91 5.703 11.186 -5.318 1.00 0.00 N ATOM 1417 CA TRP A 91 4.699 10.271 -5.848 1.00 0.00 C ATOM 1418 C TRP A 91 4.165 9.350 -4.757 1.00 0.00 C ATOM 1419 O TRP A 91 4.759 9.228 -3.685 1.00 0.00 O ATOM 1420 CB TRP A 91 5.286 9.438 -6.988 1.00 0.00 C ATOM 1421 CG TRP A 91 5.923 10.261 -8.066 1.00 0.00 C ATOM 1422 CD1 TRP A 91 5.333 11.251 -8.799 1.00 0.00 C ATOM 1423 CD2 TRP A 91 7.272 10.160 -8.539 1.00 0.00 C ATOM 1424 NE1 TRP A 91 6.233 11.774 -9.695 1.00 0.00 N ATOM 1425 CE2 TRP A 91 7.430 11.121 -9.556 1.00 0.00 C ATOM 1426 CE3 TRP A 91 8.361 9.353 -8.201 1.00 0.00 C ATOM 1427 CZ2 TRP A 91 8.633 11.296 -10.236 1.00 0.00 C ATOM 1428 CZ3 TRP A 91 9.554 9.527 -8.876 1.00 0.00 C ATOM 1429 CH2 TRP A 91 9.681 10.491 -9.884 1.00 0.00 C ATOM 0 H TRP A 91 6.418 10.741 -4.743 1.00 0.00 H new ATOM 0 HA TRP A 91 3.871 10.869 -6.230 1.00 0.00 H new ATOM 0 HB2 TRP A 91 6.028 8.751 -6.580 1.00 0.00 H new ATOM 0 HB3 TRP A 91 4.495 8.829 -7.427 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.309 11.575 -8.690 1.00 0.00 H new ATOM 0 HE1 TRP A 91 6.042 12.526 -10.357 1.00 0.00 H new ATOM 0 HE3 TRP A 91 8.272 8.606 -7.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 8.734 12.040 -11.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 10.403 8.909 -8.622 1.00 0.00 H new ATOM 0 HH2 TRP A 91 10.627 10.601 -10.394 1.00 0.00 H new ATOM 1440 N LYS A 92 3.043 8.696 -5.043 1.00 0.00 N ATOM 1441 CA LYS A 92 2.429 7.779 -4.092 1.00 0.00 C ATOM 1442 C LYS A 92 2.320 6.378 -4.684 1.00 0.00 C ATOM 1443 O LYS A 92 2.028 6.215 -5.868 1.00 0.00 O ATOM 1444 CB LYS A 92 1.041 8.282 -3.688 1.00 0.00 C ATOM 1445 CG LYS A 92 0.882 8.488 -2.191 1.00 0.00 C ATOM 1446 CD LYS A 92 -0.512 8.107 -1.721 1.00 0.00 C ATOM 1447 CE LYS A 92 -1.439 9.311 -1.699 1.00 0.00 C ATOM 1448 NZ LYS A 92 -2.533 9.153 -0.701 1.00 0.00 N ATOM 0 H LYS A 92 2.541 8.785 -5.927 1.00 0.00 H new ATOM 0 HA LYS A 92 3.063 7.734 -3.207 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.842 9.224 -4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.291 7.569 -4.030 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.622 7.890 -1.660 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.078 9.531 -1.943 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.923 7.342 -2.379 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.455 7.672 -0.723 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.864 10.208 -1.468 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.870 9.455 -2.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.143 9.995 -0.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.098 8.312 -0.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.123 9.041 0.248 1.00 0.00 H new ATOM 1462 N ILE A 93 2.569 5.371 -3.854 1.00 0.00 N ATOM 1463 CA ILE A 93 2.502 3.983 -4.295 1.00 0.00 C ATOM 1464 C ILE A 93 1.790 3.115 -3.261 1.00 0.00 C ATOM 1465 O ILE A 93 1.937 3.321 -2.055 1.00 0.00 O ATOM 1466 CB ILE A 93 3.909 3.405 -4.562 1.00 0.00 C ATOM 1467 CG1 ILE A 93 4.633 4.230 -5.629 1.00 0.00 C ATOM 1468 CG2 ILE A 93 3.817 1.947 -4.992 1.00 0.00 C ATOM 1469 CD1 ILE A 93 5.627 5.219 -5.061 1.00 0.00 C ATOM 0 H ILE A 93 2.819 5.490 -2.872 1.00 0.00 H new ATOM 0 HA ILE A 93 1.936 3.973 -5.226 1.00 0.00 H new ATOM 0 HB ILE A 93 4.481 3.456 -3.636 1.00 0.00 H new ATOM 0 HG12 ILE A 93 5.153 3.554 -6.307 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.894 4.770 -6.222 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.819 1.558 -5.175 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.340 1.365 -4.204 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.226 1.874 -5.905 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.101 5.767 -5.875 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.109 5.919 -4.405 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.388 4.684 -4.493 1.00 0.00 H new ATOM 1481 N TYR A 94 1.026 2.142 -3.741 1.00 0.00 N ATOM 1482 CA TYR A 94 0.302 1.230 -2.864 1.00 0.00 C ATOM 1483 C TYR A 94 0.772 -0.203 -3.084 1.00 0.00 C ATOM 1484 O TYR A 94 0.767 -0.703 -4.212 1.00 0.00 O ATOM 1485 CB TYR A 94 -1.203 1.334 -3.109 1.00 0.00 C ATOM 1486 CG TYR A 94 -1.890 2.367 -2.245 1.00 0.00 C ATOM 1487 CD1 TYR A 94 -2.020 3.683 -2.671 1.00 0.00 C ATOM 1488 CD2 TYR A 94 -2.415 2.025 -1.005 1.00 0.00 C ATOM 1489 CE1 TYR A 94 -2.650 4.629 -1.886 1.00 0.00 C ATOM 1490 CE2 TYR A 94 -3.047 2.965 -0.213 1.00 0.00 C ATOM 1491 CZ TYR A 94 -3.161 4.266 -0.658 1.00 0.00 C ATOM 1492 OH TYR A 94 -3.790 5.205 0.126 1.00 0.00 O ATOM 0 H TYR A 94 0.891 1.964 -4.736 1.00 0.00 H new ATOM 0 HA TYR A 94 0.507 1.511 -1.831 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.375 1.578 -4.157 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.660 0.361 -2.929 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.622 3.971 -3.633 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.328 1.007 -0.654 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.742 5.648 -2.232 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.449 2.683 0.749 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.119 5.719 0.622 1.00 0.00 H new ATOM 1502 N ILE A 95 1.144 -0.861 -1.987 1.00 0.00 N ATOM 1503 CA ILE A 95 1.669 -2.219 -2.032 1.00 0.00 C ATOM 1504 C ILE A 95 0.854 -3.131 -1.120 1.00 0.00 C ATOM 1505 O ILE A 95 0.318 -2.672 -0.114 1.00 0.00 O ATOM 1506 CB ILE A 95 3.149 -2.229 -1.589 1.00 0.00 C ATOM 1507 CG1 ILE A 95 4.018 -1.493 -2.617 1.00 0.00 C ATOM 1508 CG2 ILE A 95 3.654 -3.646 -1.377 1.00 0.00 C ATOM 1509 CD1 ILE A 95 4.013 -2.126 -3.992 1.00 0.00 C ATOM 0 H ILE A 95 1.089 -0.467 -1.048 1.00 0.00 H new ATOM 0 HA ILE A 95 1.598 -2.586 -3.056 1.00 0.00 H new ATOM 0 HB ILE A 95 3.218 -1.707 -0.634 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.670 -0.463 -2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.043 -1.454 -2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.698 -3.617 -1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.059 -4.133 -0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.568 -4.206 -2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.650 -1.548 -4.661 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.390 -3.147 -3.924 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.995 -2.140 -4.382 1.00 0.00 H new ATOM 1521 N LYS A 96 0.671 -4.393 -1.515 1.00 0.00 N ATOM 1522 CA LYS A 96 -0.130 -5.309 -0.702 1.00 0.00 C ATOM 1523 C LYS A 96 0.297 -6.762 -0.883 1.00 0.00 C ATOM 1524 O LYS A 96 0.077 -7.359 -1.938 1.00 0.00 O ATOM 1525 CB LYS A 96 -1.619 -5.135 -1.035 1.00 0.00 C ATOM 1526 CG LYS A 96 -2.471 -6.370 -0.777 1.00 0.00 C ATOM 1527 CD LYS A 96 -3.237 -6.783 -2.024 1.00 0.00 C ATOM 1528 CE LYS A 96 -4.706 -6.401 -1.929 1.00 0.00 C ATOM 1529 NZ LYS A 96 -5.473 -6.835 -3.128 1.00 0.00 N ATOM 0 H LYS A 96 1.055 -4.796 -2.370 1.00 0.00 H new ATOM 0 HA LYS A 96 0.037 -5.058 0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.015 -4.306 -0.448 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.714 -4.856 -2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.834 -7.192 -0.450 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.172 -6.168 0.033 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -2.793 -6.308 -2.899 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.149 -7.860 -2.166 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.141 -6.852 -1.037 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -4.793 -5.321 -1.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.469 -6.555 -3.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.075 -6.385 -3.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.412 -7.869 -3.224 1.00 0.00 H new ATOM 1543 N VAL A 97 0.881 -7.332 0.165 1.00 0.00 N ATOM 1544 CA VAL A 97 1.312 -8.726 0.136 1.00 0.00 C ATOM 1545 C VAL A 97 0.113 -9.654 -0.028 1.00 0.00 C ATOM 1546 O VAL A 97 -0.812 -9.631 0.784 1.00 0.00 O ATOM 1547 CB VAL A 97 2.070 -9.113 1.421 1.00 0.00 C ATOM 1548 CG1 VAL A 97 2.968 -10.315 1.169 1.00 0.00 C ATOM 1549 CG2 VAL A 97 2.878 -7.938 1.952 1.00 0.00 C ATOM 0 H VAL A 97 1.067 -6.851 1.045 1.00 0.00 H new ATOM 0 HA VAL A 97 1.985 -8.835 -0.715 1.00 0.00 H new ATOM 0 HB VAL A 97 1.336 -9.385 2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 97 3.495 -10.574 2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.361 -11.162 0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.692 -10.072 0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.403 -8.238 2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.602 -7.625 1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.208 -7.108 2.178 1.00 0.00 H new ATOM 1559 N LYS A 98 0.127 -10.453 -1.091 1.00 0.00 N ATOM 1560 CA LYS A 98 -0.962 -11.386 -1.362 1.00 0.00 C ATOM 1561 C LYS A 98 -0.711 -12.730 -0.687 1.00 0.00 C ATOM 1562 O LYS A 98 0.462 -13.152 -0.628 1.00 0.00 O ATOM 1563 CB LYS A 98 -1.131 -11.587 -2.870 1.00 0.00 C ATOM 1564 CG LYS A 98 -2.584 -11.658 -3.315 1.00 0.00 C ATOM 1565 CD LYS A 98 -2.695 -11.806 -4.825 1.00 0.00 C ATOM 1566 CE LYS A 98 -4.048 -12.368 -5.234 1.00 0.00 C ATOM 1567 NZ LYS A 98 -5.171 -11.702 -4.517 1.00 0.00 N ATOM 1568 OXT LYS A 98 -1.691 -13.350 -0.222 1.00 0.00 O ATOM 0 H LYS A 98 0.880 -10.473 -1.779 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.878 -10.959 -0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.638 -10.768 -3.395 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.624 -12.506 -3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.074 -12.501 -2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.108 -10.757 -2.997 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.545 -10.836 -5.298 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.903 -12.462 -5.186 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.181 -12.245 -6.309 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.072 -13.438 -5.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.068 -11.923 -4.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.208 -12.044 -3.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.022 -10.673 -4.519 1.00 0.00 H new