USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=11 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 -160:sc= -1.49! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -118:sc= 0.822 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 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=-0.6) USER MOD Single : A 49 ASN : amide:sc= -1.02 K(o=-1,f=-2.7!) USER MOD Single : A 50 MET CE :methyl 163:sc= -1.17 (180deg=-2.23!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.731 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HE2:sc= 0.115 K(o=0.12,f=-2.1) 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 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -150:sc= -5.82! (180deg=-9.33!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 358 N VAL A 25 -5.748 0.555 4.311 1.00 0.00 N ATOM 359 CA VAL A 25 -4.339 0.208 4.451 1.00 0.00 C ATOM 360 C VAL A 25 -4.002 -0.146 5.897 1.00 0.00 C ATOM 361 O VAL A 25 -4.535 0.449 6.833 1.00 0.00 O ATOM 362 CB VAL A 25 -3.429 1.359 3.978 1.00 0.00 C ATOM 363 CG1 VAL A 25 -1.962 0.964 4.078 1.00 0.00 C ATOM 364 CG2 VAL A 25 -3.780 1.764 2.554 1.00 0.00 C ATOM 0 HA VAL A 25 -4.159 -0.663 3.821 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.594 2.216 4.631 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.339 1.791 3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.719 0.727 5.114 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.777 0.090 3.453 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.128 2.578 2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.646 0.911 1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.818 2.094 2.515 1.00 0.00 H new ATOM 374 N THR A 26 -3.110 -1.118 6.069 1.00 0.00 N ATOM 375 CA THR A 26 -2.708 -1.567 7.396 1.00 0.00 C ATOM 376 C THR A 26 -1.380 -0.940 7.812 1.00 0.00 C ATOM 377 O THR A 26 -1.255 -0.408 8.915 1.00 0.00 O ATOM 378 CB THR A 26 -2.597 -3.094 7.428 1.00 0.00 C ATOM 379 OG1 THR A 26 -3.234 -3.666 6.299 1.00 0.00 O ATOM 380 CG2 THR A 26 -3.208 -3.714 8.665 1.00 0.00 C ATOM 0 H THR A 26 -2.651 -1.610 5.302 1.00 0.00 H new ATOM 0 HA THR A 26 -3.473 -1.248 8.104 1.00 0.00 H new ATOM 0 HB THR A 26 -1.528 -3.306 7.428 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.436 -4.608 6.480 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.095 -4.797 8.623 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.703 -3.330 9.552 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.267 -3.462 8.713 1.00 0.00 H new ATOM 388 N LYS A 27 -0.389 -1.004 6.925 1.00 0.00 N ATOM 389 CA LYS A 27 0.925 -0.439 7.212 1.00 0.00 C ATOM 390 C LYS A 27 1.294 0.632 6.191 1.00 0.00 C ATOM 391 O LYS A 27 1.202 0.411 4.984 1.00 0.00 O ATOM 392 CB LYS A 27 1.986 -1.541 7.220 1.00 0.00 C ATOM 393 CG LYS A 27 3.018 -1.385 8.326 1.00 0.00 C ATOM 394 CD LYS A 27 4.428 -1.305 7.764 1.00 0.00 C ATOM 395 CE LYS A 27 5.421 -2.050 8.641 1.00 0.00 C ATOM 396 NZ LYS A 27 5.678 -3.428 8.142 1.00 0.00 N ATOM 0 H LYS A 27 -0.471 -1.439 6.006 1.00 0.00 H new ATOM 0 HA LYS A 27 0.885 0.025 8.198 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.493 -2.507 7.328 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.496 -1.549 6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.803 -0.485 8.902 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.946 -2.228 9.014 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.444 -1.724 6.758 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.728 -0.261 7.679 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.359 -1.496 8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.039 -2.099 9.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.360 -3.902 8.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.787 -3.965 8.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.066 -3.381 7.178 1.00 0.00 H new ATOM 410 N THR A 28 1.712 1.793 6.685 1.00 0.00 N ATOM 411 CA THR A 28 2.095 2.900 5.815 1.00 0.00 C ATOM 412 C THR A 28 3.558 3.274 6.025 1.00 0.00 C ATOM 413 O THR A 28 3.963 3.636 7.130 1.00 0.00 O ATOM 414 CB THR A 28 1.202 4.114 6.082 1.00 0.00 C ATOM 415 OG1 THR A 28 -0.154 3.808 5.805 1.00 0.00 O ATOM 416 CG2 THR A 28 1.577 5.331 5.262 1.00 0.00 C ATOM 0 H THR A 28 1.794 1.992 7.682 1.00 0.00 H new ATOM 0 HA THR A 28 1.966 2.581 4.781 1.00 0.00 H new ATOM 0 HB THR A 28 1.347 4.352 7.136 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.481 4.390 5.087 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.903 6.153 5.502 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.602 5.623 5.492 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.497 5.094 4.201 1.00 0.00 H new ATOM 424 N LEU A 29 4.343 3.197 4.955 1.00 0.00 N ATOM 425 CA LEU A 29 5.760 3.529 5.027 1.00 0.00 C ATOM 426 C LEU A 29 6.020 4.939 4.508 1.00 0.00 C ATOM 427 O LEU A 29 5.811 5.227 3.330 1.00 0.00 O ATOM 428 CB LEU A 29 6.586 2.519 4.228 1.00 0.00 C ATOM 429 CG LEU A 29 8.097 2.601 4.454 1.00 0.00 C ATOM 430 CD1 LEU A 29 8.713 1.210 4.452 1.00 0.00 C ATOM 431 CD2 LEU A 29 8.749 3.478 3.399 1.00 0.00 C ATOM 0 H LEU A 29 4.022 2.908 4.031 1.00 0.00 H new ATOM 0 HA LEU A 29 6.061 3.487 6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.249 1.514 4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.383 2.664 3.167 1.00 0.00 H new ATOM 0 HG LEU A 29 8.274 3.053 5.430 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.788 1.288 4.614 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.268 0.614 5.249 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.525 0.730 3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.823 3.524 3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.563 3.058 2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.330 4.483 3.451 1.00 0.00 H new ATOM 443 N ASP A 30 6.485 5.809 5.397 1.00 0.00 N ATOM 444 CA ASP A 30 6.798 7.187 5.037 1.00 0.00 C ATOM 445 C ASP A 30 8.284 7.462 5.227 1.00 0.00 C ATOM 446 O ASP A 30 8.799 7.388 6.342 1.00 0.00 O ATOM 447 CB ASP A 30 5.974 8.158 5.885 1.00 0.00 C ATOM 448 CG ASP A 30 6.179 9.602 5.473 1.00 0.00 C ATOM 449 OD1 ASP A 30 7.096 10.252 6.018 1.00 0.00 O ATOM 450 OD2 ASP A 30 5.422 10.084 4.604 1.00 0.00 O ATOM 0 H ASP A 30 6.654 5.583 6.377 1.00 0.00 H new ATOM 0 HA ASP A 30 6.546 7.334 3.987 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.917 7.905 5.799 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.245 8.040 6.934 1.00 0.00 H new ATOM 455 N VAL A 31 8.975 7.751 4.130 1.00 0.00 N ATOM 456 CA VAL A 31 10.406 8.018 4.184 1.00 0.00 C ATOM 457 C VAL A 31 10.790 9.163 3.245 1.00 0.00 C ATOM 458 O VAL A 31 11.349 8.951 2.169 1.00 0.00 O ATOM 459 CB VAL A 31 11.226 6.754 3.853 1.00 0.00 C ATOM 460 CG1 VAL A 31 10.848 6.193 2.491 1.00 0.00 C ATOM 461 CG2 VAL A 31 12.713 7.053 3.931 1.00 0.00 C ATOM 0 H VAL A 31 8.569 7.806 3.196 1.00 0.00 H new ATOM 0 HA VAL A 31 10.642 8.318 5.205 1.00 0.00 H new ATOM 0 HB VAL A 31 10.991 5.991 4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.443 5.303 2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.790 5.931 2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.040 6.942 1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 31 13.278 6.151 3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.965 7.837 3.216 1.00 0.00 H new ATOM 0 HG23 VAL A 31 12.965 7.386 4.938 1.00 0.00 H new ATOM 471 N ARG A 32 10.494 10.385 3.674 1.00 0.00 N ATOM 472 CA ARG A 32 10.808 11.573 2.889 1.00 0.00 C ATOM 473 C ARG A 32 12.318 11.738 2.725 1.00 0.00 C ATOM 474 O ARG A 32 13.082 10.797 2.943 1.00 0.00 O ATOM 475 CB ARG A 32 10.218 12.819 3.553 1.00 0.00 C ATOM 476 CG ARG A 32 9.503 13.745 2.583 1.00 0.00 C ATOM 477 CD ARG A 32 8.592 14.722 3.310 1.00 0.00 C ATOM 478 NE ARG A 32 8.568 16.031 2.665 1.00 0.00 N ATOM 479 CZ ARG A 32 7.678 16.978 2.950 1.00 0.00 C ATOM 480 NH1 ARG A 32 6.743 16.761 3.865 1.00 0.00 N ATOM 481 NH2 ARG A 32 7.724 18.143 2.319 1.00 0.00 N ATOM 0 H ARG A 32 10.035 10.579 4.564 1.00 0.00 H new ATOM 0 HA ARG A 32 10.365 11.450 1.901 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.518 12.510 4.330 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.018 13.371 4.046 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.238 14.298 1.998 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.916 13.154 1.880 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.581 14.317 3.346 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.928 14.832 4.341 1.00 0.00 H new ATOM 0 HE ARG A 32 9.273 16.231 1.956 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.705 15.866 4.353 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.062 17.489 4.081 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.442 18.314 1.615 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.041 18.869 2.538 1.00 0.00 H new ATOM 631 N THR A 43 13.516 -0.490 4.600 1.00 0.00 N ATOM 632 CA THR A 43 12.705 -1.322 3.719 1.00 0.00 C ATOM 633 C THR A 43 13.120 -2.785 3.821 1.00 0.00 C ATOM 634 O THR A 43 12.338 -3.684 3.509 1.00 0.00 O ATOM 635 CB THR A 43 12.829 -0.844 2.272 1.00 0.00 C ATOM 636 OG1 THR A 43 12.048 -1.654 1.409 1.00 0.00 O ATOM 637 CG2 THR A 43 14.251 -0.860 1.755 1.00 0.00 C ATOM 0 HA THR A 43 11.665 -1.234 4.034 1.00 0.00 H new ATOM 0 HB THR A 43 12.474 0.187 2.276 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.138 -1.332 0.488 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.267 -0.509 0.723 1.00 0.00 H new ATOM 0 HG22 THR A 43 14.869 -0.206 2.370 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.643 -1.876 1.799 1.00 0.00 H new ATOM 645 N LYS A 44 14.356 -3.018 4.254 1.00 0.00 N ATOM 646 CA LYS A 44 14.867 -4.375 4.407 1.00 0.00 C ATOM 647 C LYS A 44 14.036 -5.148 5.426 1.00 0.00 C ATOM 648 O LYS A 44 13.671 -6.302 5.200 1.00 0.00 O ATOM 649 CB LYS A 44 16.335 -4.346 4.834 1.00 0.00 C ATOM 650 CG LYS A 44 16.883 -5.704 5.242 1.00 0.00 C ATOM 651 CD LYS A 44 17.559 -6.406 4.075 1.00 0.00 C ATOM 652 CE LYS A 44 19.074 -6.351 4.193 1.00 0.00 C ATOM 653 NZ LYS A 44 19.641 -5.155 3.511 1.00 0.00 N ATOM 0 H LYS A 44 15.020 -2.286 4.504 1.00 0.00 H new ATOM 0 HA LYS A 44 14.793 -4.881 3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.935 -3.955 4.012 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.447 -3.654 5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 44 17.597 -5.580 6.056 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.072 -6.326 5.621 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.234 -7.446 4.037 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.249 -5.940 3.140 1.00 0.00 H new ATOM 0 HE2 LYS A 44 19.356 -6.336 5.246 1.00 0.00 H new ATOM 0 HE3 LYS A 44 19.505 -7.254 3.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 20.676 -5.154 3.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 19.394 -5.182 2.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 19.250 -4.292 3.940 1.00 0.00 H new ATOM 667 N ARG A 45 13.730 -4.494 6.543 1.00 0.00 N ATOM 668 CA ARG A 45 12.933 -5.107 7.597 1.00 0.00 C ATOM 669 C ARG A 45 11.491 -5.303 7.143 1.00 0.00 C ATOM 670 O ARG A 45 10.863 -6.314 7.460 1.00 0.00 O ATOM 671 CB ARG A 45 12.974 -4.242 8.853 1.00 0.00 C ATOM 672 CG ARG A 45 12.399 -4.925 10.084 1.00 0.00 C ATOM 673 CD ARG A 45 10.960 -4.505 10.335 1.00 0.00 C ATOM 674 NE ARG A 45 10.725 -4.169 11.736 1.00 0.00 N ATOM 675 CZ ARG A 45 10.263 -5.034 12.635 1.00 0.00 C ATOM 676 NH1 ARG A 45 9.990 -6.282 12.279 1.00 0.00 N ATOM 677 NH2 ARG A 45 10.075 -4.651 13.890 1.00 0.00 N ATOM 0 H ARG A 45 14.024 -3.537 6.740 1.00 0.00 H new ATOM 0 HA ARG A 45 13.357 -6.086 7.823 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.007 -3.958 9.055 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.421 -3.321 8.668 1.00 0.00 H new ATOM 0 HG2 ARG A 45 12.446 -6.006 9.956 1.00 0.00 H new ATOM 0 HG3 ARG A 45 13.007 -4.680 10.955 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.719 -3.645 9.711 1.00 0.00 H new ATOM 0 HD3 ARG A 45 10.290 -5.312 10.038 1.00 0.00 H new ATOM 0 HE ARG A 45 10.926 -3.217 12.043 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.134 -6.580 11.314 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.636 -6.944 12.970 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.285 -3.692 14.167 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.721 -5.315 14.578 1.00 0.00 H new ATOM 691 N ALA A 46 10.971 -4.329 6.400 1.00 0.00 N ATOM 692 CA ALA A 46 9.604 -4.396 5.899 1.00 0.00 C ATOM 693 C ALA A 46 9.429 -5.589 4.963 1.00 0.00 C ATOM 694 O ALA A 46 8.440 -6.315 5.047 1.00 0.00 O ATOM 695 CB ALA A 46 9.237 -3.102 5.190 1.00 0.00 C ATOM 0 H ALA A 46 11.477 -3.485 6.133 1.00 0.00 H new ATOM 0 HA ALA A 46 8.933 -4.529 6.748 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.213 -3.167 4.821 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.319 -2.269 5.888 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.915 -2.941 4.352 1.00 0.00 H new ATOM 701 N LEU A 47 10.409 -5.792 4.087 1.00 0.00 N ATOM 702 CA LEU A 47 10.376 -6.898 3.136 1.00 0.00 C ATOM 703 C LEU A 47 10.496 -8.239 3.854 1.00 0.00 C ATOM 704 O LEU A 47 9.927 -9.240 3.419 1.00 0.00 O ATOM 705 CB LEU A 47 11.513 -6.756 2.122 1.00 0.00 C ATOM 706 CG LEU A 47 11.271 -5.777 0.962 1.00 0.00 C ATOM 707 CD1 LEU A 47 10.198 -4.751 1.306 1.00 0.00 C ATOM 708 CD2 LEU A 47 12.568 -5.078 0.586 1.00 0.00 C ATOM 0 H LEU A 47 11.238 -5.203 4.016 1.00 0.00 H new ATOM 0 HA LEU A 47 9.419 -6.866 2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.410 -6.440 2.655 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.722 -7.740 1.702 1.00 0.00 H new ATOM 0 HG LEU A 47 10.915 -6.354 0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 47 10.055 -4.077 0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.261 -5.264 1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.509 -4.178 2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.384 -4.387 -0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.946 -4.525 1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.305 -5.820 0.279 1.00 0.00 H new ATOM 720 N GLN A 48 11.252 -8.253 4.946 1.00 0.00 N ATOM 721 CA GLN A 48 11.457 -9.471 5.718 1.00 0.00 C ATOM 722 C GLN A 48 10.282 -9.733 6.651 1.00 0.00 C ATOM 723 O GLN A 48 10.217 -10.775 7.305 1.00 0.00 O ATOM 724 CB GLN A 48 12.748 -9.373 6.530 1.00 0.00 C ATOM 725 CG GLN A 48 13.889 -10.192 5.954 1.00 0.00 C ATOM 726 CD GLN A 48 15.153 -10.101 6.786 1.00 0.00 C ATOM 727 OE1 GLN A 48 15.096 -9.971 8.010 1.00 0.00 O ATOM 728 NE2 GLN A 48 16.304 -10.171 6.127 1.00 0.00 N ATOM 0 H GLN A 48 11.733 -7.433 5.316 1.00 0.00 H new ATOM 0 HA GLN A 48 11.534 -10.302 5.017 1.00 0.00 H new ATOM 0 HB2 GLN A 48 13.054 -8.328 6.587 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.552 -9.704 7.550 1.00 0.00 H new ATOM 0 HG2 GLN A 48 13.581 -11.235 5.881 1.00 0.00 H new ATOM 0 HG3 GLN A 48 14.101 -9.850 4.941 1.00 0.00 H new ATOM 0 HE21 GLN A 48 16.305 -10.279 5.113 1.00 0.00 H new ATOM 0 HE22 GLN A 48 17.187 -10.117 6.635 1.00 0.00 H new ATOM 737 N ASN A 49 9.356 -8.782 6.714 1.00 0.00 N ATOM 738 CA ASN A 49 8.194 -8.913 7.582 1.00 0.00 C ATOM 739 C ASN A 49 6.900 -8.613 6.827 1.00 0.00 C ATOM 740 O ASN A 49 6.078 -7.816 7.280 1.00 0.00 O ATOM 741 CB ASN A 49 8.325 -7.976 8.784 1.00 0.00 C ATOM 742 CG ASN A 49 7.863 -8.621 10.076 1.00 0.00 C ATOM 743 OD1 ASN A 49 7.547 -9.811 10.112 1.00 0.00 O ATOM 744 ND2 ASN A 49 7.819 -7.837 11.146 1.00 0.00 N ATOM 0 H ASN A 49 9.388 -7.916 6.176 1.00 0.00 H new ATOM 0 HA ASN A 49 8.152 -9.945 7.931 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.365 -7.667 8.888 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.741 -7.074 8.603 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.514 -8.215 12.043 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.090 -6.856 11.071 1.00 0.00 H new ATOM 751 N MET A 50 6.719 -9.264 5.682 1.00 0.00 N ATOM 752 CA MET A 50 5.519 -9.070 4.876 1.00 0.00 C ATOM 753 C MET A 50 4.520 -10.199 5.107 1.00 0.00 C ATOM 754 O MET A 50 4.741 -11.333 4.680 1.00 0.00 O ATOM 755 CB MET A 50 5.874 -8.993 3.389 1.00 0.00 C ATOM 756 CG MET A 50 7.099 -8.150 3.098 1.00 0.00 C ATOM 757 SD MET A 50 7.539 -8.141 1.350 1.00 0.00 S ATOM 758 CE MET A 50 6.993 -6.503 0.873 1.00 0.00 C ATOM 0 H MET A 50 7.387 -9.929 5.292 1.00 0.00 H new ATOM 0 HA MET A 50 5.062 -8.129 5.182 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.040 -10.002 3.012 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.024 -8.584 2.842 1.00 0.00 H new ATOM 0 HG2 MET A 50 6.918 -7.127 3.428 1.00 0.00 H new ATOM 0 HG3 MET A 50 7.941 -8.528 3.678 1.00 0.00 H new ATOM 0 HE1 MET A 50 7.455 -6.227 -0.075 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.909 -6.498 0.764 1.00 0.00 H new ATOM 0 HE3 MET A 50 7.283 -5.785 1.640 1.00 0.00 H new ATOM 768 N LYS A 51 3.415 -9.880 5.773 1.00 0.00 N ATOM 769 CA LYS A 51 2.378 -10.866 6.044 1.00 0.00 C ATOM 770 C LYS A 51 1.581 -11.163 4.778 1.00 0.00 C ATOM 771 O LYS A 51 1.265 -10.252 4.013 1.00 0.00 O ATOM 772 CB LYS A 51 1.442 -10.364 7.146 1.00 0.00 C ATOM 773 CG LYS A 51 0.860 -11.476 8.005 1.00 0.00 C ATOM 774 CD LYS A 51 0.676 -11.029 9.446 1.00 0.00 C ATOM 775 CE LYS A 51 1.880 -11.392 10.300 1.00 0.00 C ATOM 776 NZ LYS A 51 1.612 -12.572 11.167 1.00 0.00 N ATOM 0 H LYS A 51 3.216 -8.947 6.134 1.00 0.00 H new ATOM 0 HA LYS A 51 2.857 -11.786 6.380 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.987 -9.670 7.786 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.626 -9.804 6.690 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.100 -11.789 7.595 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.519 -12.344 7.974 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.519 -9.951 9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.219 -11.493 9.861 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.733 -11.602 9.654 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.154 -10.540 10.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.458 -12.786 11.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.815 -12.363 11.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.376 -13.393 10.573 1.00 0.00 H new ATOM 790 N PRO A 52 1.263 -12.449 4.529 1.00 0.00 N ATOM 791 CA PRO A 52 0.517 -12.865 3.338 1.00 0.00 C ATOM 792 C PRO A 52 -0.651 -11.938 3.015 1.00 0.00 C ATOM 793 O PRO A 52 -0.898 -11.625 1.853 1.00 0.00 O ATOM 794 CB PRO A 52 0.013 -14.253 3.720 1.00 0.00 C ATOM 795 CG PRO A 52 1.060 -14.787 4.635 1.00 0.00 C ATOM 796 CD PRO A 52 1.611 -13.602 5.386 1.00 0.00 C ATOM 0 HA PRO A 52 1.136 -12.845 2.441 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.958 -14.202 4.213 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.109 -14.887 2.842 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.638 -15.521 5.322 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.846 -15.291 4.074 1.00 0.00 H new ATOM 0 HD2 PRO A 52 1.165 -13.513 6.377 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.689 -13.684 5.528 1.00 0.00 H new ATOM 804 N GLY A 53 -1.377 -11.520 4.047 1.00 0.00 N ATOM 805 CA GLY A 53 -2.512 -10.633 3.846 1.00 0.00 C ATOM 806 C GLY A 53 -2.218 -9.197 4.242 1.00 0.00 C ATOM 807 O GLY A 53 -2.978 -8.592 4.997 1.00 0.00 O ATOM 0 H GLY A 53 -1.201 -11.778 5.018 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.808 -10.662 2.797 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.359 -10.998 4.426 1.00 0.00 H new ATOM 811 N GLU A 54 -1.110 -8.652 3.747 1.00 0.00 N ATOM 812 CA GLU A 54 -0.724 -7.286 4.088 1.00 0.00 C ATOM 813 C GLU A 54 -1.286 -6.266 3.103 1.00 0.00 C ATOM 814 O GLU A 54 -1.484 -6.554 1.923 1.00 0.00 O ATOM 815 CB GLU A 54 0.797 -7.153 4.151 1.00 0.00 C ATOM 816 CG GLU A 54 1.346 -7.220 5.566 1.00 0.00 C ATOM 817 CD GLU A 54 2.816 -6.853 5.641 1.00 0.00 C ATOM 818 OE1 GLU A 54 3.453 -6.730 4.574 1.00 0.00 O ATOM 819 OE2 GLU A 54 3.329 -6.688 6.767 1.00 0.00 O ATOM 0 H GLU A 54 -0.469 -9.130 3.114 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.149 -7.075 5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.249 -7.945 3.555 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.091 -6.206 3.699 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.775 -6.547 6.205 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.207 -8.227 5.958 1.00 0.00 H new ATOM 826 N ILE A 55 -1.512 -5.061 3.615 1.00 0.00 N ATOM 827 CA ILE A 55 -2.018 -3.946 2.828 1.00 0.00 C ATOM 828 C ILE A 55 -1.198 -2.697 3.148 1.00 0.00 C ATOM 829 O ILE A 55 -1.301 -2.158 4.248 1.00 0.00 O ATOM 830 CB ILE A 55 -3.504 -3.675 3.144 1.00 0.00 C ATOM 831 CG1 ILE A 55 -4.335 -4.938 2.909 1.00 0.00 C ATOM 832 CG2 ILE A 55 -4.029 -2.529 2.299 1.00 0.00 C ATOM 833 CD1 ILE A 55 -4.822 -5.588 4.186 1.00 0.00 C ATOM 0 H ILE A 55 -1.348 -4.831 4.595 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.931 -4.197 1.771 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.589 -3.393 4.193 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.195 -4.687 2.288 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.737 -5.658 2.350 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.078 -2.353 2.536 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.453 -1.628 2.510 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.933 -2.782 1.243 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.404 -6.477 3.943 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.967 -5.871 4.800 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.447 -4.885 4.737 1.00 0.00 H new ATOM 845 N LEU A 56 -0.324 -2.278 2.231 1.00 0.00 N ATOM 846 CA LEU A 56 0.561 -1.156 2.520 1.00 0.00 C ATOM 847 C LEU A 56 0.530 -0.074 1.451 1.00 0.00 C ATOM 848 O LEU A 56 0.224 -0.326 0.286 1.00 0.00 O ATOM 849 CB LEU A 56 1.999 -1.651 2.691 1.00 0.00 C ATOM 850 CG LEU A 56 2.145 -3.151 2.929 1.00 0.00 C ATOM 851 CD1 LEU A 56 3.578 -3.598 2.678 1.00 0.00 C ATOM 852 CD2 LEU A 56 1.714 -3.499 4.341 1.00 0.00 C ATOM 0 H LEU A 56 -0.213 -2.689 1.304 1.00 0.00 H new ATOM 0 HA LEU A 56 0.195 -0.709 3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.567 -1.384 1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.452 -1.121 3.529 1.00 0.00 H new ATOM 0 HG LEU A 56 1.499 -3.680 2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.661 -4.671 2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.853 -3.377 1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.248 -3.067 3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.822 -4.572 4.500 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.338 -2.961 5.055 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.672 -3.214 4.484 1.00 0.00 H new ATOM 864 N GLU A 57 0.902 1.130 1.872 1.00 0.00 N ATOM 865 CA GLU A 57 1.006 2.276 0.981 1.00 0.00 C ATOM 866 C GLU A 57 2.302 3.027 1.280 1.00 0.00 C ATOM 867 O GLU A 57 2.672 3.195 2.444 1.00 0.00 O ATOM 868 CB GLU A 57 -0.203 3.203 1.140 1.00 0.00 C ATOM 869 CG GLU A 57 -0.188 4.019 2.423 1.00 0.00 C ATOM 870 CD GLU A 57 -1.512 4.707 2.694 1.00 0.00 C ATOM 871 OE1 GLU A 57 -2.293 4.893 1.737 1.00 0.00 O ATOM 872 OE2 GLU A 57 -1.770 5.058 3.865 1.00 0.00 O ATOM 0 H GLU A 57 1.140 1.337 2.842 1.00 0.00 H new ATOM 0 HA GLU A 57 1.020 1.926 -0.051 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.242 3.883 0.289 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.114 2.605 1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.056 3.366 3.261 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.601 4.769 2.363 1.00 0.00 H new ATOM 879 N VAL A 58 3.013 3.438 0.238 1.00 0.00 N ATOM 880 CA VAL A 58 4.296 4.106 0.420 1.00 0.00 C ATOM 881 C VAL A 58 4.260 5.554 -0.055 1.00 0.00 C ATOM 882 O VAL A 58 3.677 5.868 -1.094 1.00 0.00 O ATOM 883 CB VAL A 58 5.427 3.365 -0.323 1.00 0.00 C ATOM 884 CG1 VAL A 58 6.695 3.347 0.516 1.00 0.00 C ATOM 885 CG2 VAL A 58 5.000 1.947 -0.679 1.00 0.00 C ATOM 0 H VAL A 58 2.727 3.322 -0.734 1.00 0.00 H new ATOM 0 HA VAL A 58 4.495 4.093 1.492 1.00 0.00 H new ATOM 0 HB VAL A 58 5.635 3.901 -1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.481 2.820 -0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.014 4.370 0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.500 2.838 1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.813 1.443 -1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.760 1.399 0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.121 1.982 -1.322 1.00 0.00 H new ATOM 895 N TRP A 59 4.913 6.427 0.707 1.00 0.00 N ATOM 896 CA TRP A 59 4.989 7.845 0.371 1.00 0.00 C ATOM 897 C TRP A 59 6.445 8.285 0.253 1.00 0.00 C ATOM 898 O TRP A 59 7.114 8.531 1.260 1.00 0.00 O ATOM 899 CB TRP A 59 4.270 8.683 1.434 1.00 0.00 C ATOM 900 CG TRP A 59 3.854 10.046 0.959 1.00 0.00 C ATOM 901 CD1 TRP A 59 4.061 10.589 -0.278 1.00 0.00 C ATOM 902 CD2 TRP A 59 3.160 11.042 1.721 1.00 0.00 C ATOM 903 NE1 TRP A 59 3.537 11.858 -0.331 1.00 0.00 N ATOM 904 CE2 TRP A 59 2.979 12.158 0.883 1.00 0.00 C ATOM 905 CE3 TRP A 59 2.673 11.096 3.030 1.00 0.00 C ATOM 906 CZ2 TRP A 59 2.332 13.315 1.312 1.00 0.00 C ATOM 907 CZ3 TRP A 59 2.031 12.245 3.455 1.00 0.00 C ATOM 908 CH2 TRP A 59 1.866 13.341 2.598 1.00 0.00 C ATOM 0 H TRP A 59 5.400 6.175 1.567 1.00 0.00 H new ATOM 0 HA TRP A 59 4.497 8.000 -0.589 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.386 8.142 1.772 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.925 8.795 2.298 1.00 0.00 H new ATOM 0 HD1 TRP A 59 4.563 10.093 -1.095 1.00 0.00 H new ATOM 0 HE1 TRP A 59 3.560 12.476 -1.142 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.796 10.256 3.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 2.203 14.161 0.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.651 12.298 4.464 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.361 14.224 2.960 1.00 0.00 H new ATOM 919 N ILE A 60 6.944 8.339 -0.982 1.00 0.00 N ATOM 920 CA ILE A 60 8.332 8.726 -1.233 1.00 0.00 C ATOM 921 C ILE A 60 8.472 9.476 -2.553 1.00 0.00 C ATOM 922 O ILE A 60 7.482 9.781 -3.218 1.00 0.00 O ATOM 923 CB ILE A 60 9.278 7.505 -1.277 1.00 0.00 C ATOM 924 CG1 ILE A 60 8.590 6.247 -0.745 1.00 0.00 C ATOM 925 CG2 ILE A 60 10.547 7.791 -0.491 1.00 0.00 C ATOM 926 CD1 ILE A 60 8.935 4.997 -1.525 1.00 0.00 C ATOM 0 H ILE A 60 6.409 8.120 -1.822 1.00 0.00 H new ATOM 0 HA ILE A 60 8.614 9.373 -0.402 1.00 0.00 H new ATOM 0 HB ILE A 60 9.543 7.323 -2.319 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.869 6.103 0.299 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.510 6.395 -0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.203 6.922 -0.531 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.057 8.651 -0.924 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.292 8.005 0.547 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.413 4.143 -1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.631 5.121 -2.564 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.010 4.825 -1.480 1.00 0.00 H new ATOM 938 N ASP A 61 9.717 9.741 -2.933 1.00 0.00 N ATOM 939 CA ASP A 61 10.015 10.413 -4.190 1.00 0.00 C ATOM 940 C ASP A 61 10.649 9.428 -5.170 1.00 0.00 C ATOM 941 O ASP A 61 10.697 9.672 -6.376 1.00 0.00 O ATOM 942 CB ASP A 61 10.946 11.607 -3.947 1.00 0.00 C ATOM 943 CG ASP A 61 12.122 11.648 -4.906 1.00 0.00 C ATOM 944 OD1 ASP A 61 11.983 12.251 -5.990 1.00 0.00 O ATOM 945 OD2 ASP A 61 13.180 11.076 -4.571 1.00 0.00 O ATOM 0 H ASP A 61 10.541 9.498 -2.383 1.00 0.00 H new ATOM 0 HA ASP A 61 9.086 10.785 -4.622 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.375 12.531 -4.041 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.320 11.567 -2.924 1.00 0.00 H new ATOM 950 N TYR A 62 11.118 8.304 -4.635 1.00 0.00 N ATOM 951 CA TYR A 62 11.730 7.259 -5.447 1.00 0.00 C ATOM 952 C TYR A 62 11.004 5.929 -5.246 1.00 0.00 C ATOM 953 O TYR A 62 10.829 5.478 -4.114 1.00 0.00 O ATOM 954 CB TYR A 62 13.209 7.105 -5.085 1.00 0.00 C ATOM 955 CG TYR A 62 14.153 7.665 -6.124 1.00 0.00 C ATOM 956 CD1 TYR A 62 14.268 7.073 -7.377 1.00 0.00 C ATOM 957 CD2 TYR A 62 14.932 8.783 -5.854 1.00 0.00 C ATOM 958 CE1 TYR A 62 15.130 7.581 -8.329 1.00 0.00 C ATOM 959 CE2 TYR A 62 15.797 9.297 -6.802 1.00 0.00 C ATOM 960 CZ TYR A 62 15.892 8.693 -8.037 1.00 0.00 C ATOM 961 OH TYR A 62 16.752 9.201 -8.983 1.00 0.00 O ATOM 0 H TYR A 62 11.085 8.094 -3.637 1.00 0.00 H new ATOM 0 HA TYR A 62 11.649 7.547 -6.495 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.394 7.603 -4.133 1.00 0.00 H new ATOM 0 HB3 TYR A 62 13.430 6.048 -4.940 1.00 0.00 H new ATOM 0 HD1 TYR A 62 13.674 6.202 -7.609 1.00 0.00 H new ATOM 0 HD2 TYR A 62 14.861 9.259 -4.887 1.00 0.00 H new ATOM 0 HE1 TYR A 62 15.207 7.110 -9.298 1.00 0.00 H new ATOM 0 HE2 TYR A 62 16.395 10.167 -6.576 1.00 0.00 H new ATOM 0 HH TYR A 62 17.213 9.985 -8.619 1.00 0.00 H new ATOM 971 N PRO A 63 10.562 5.284 -6.344 1.00 0.00 N ATOM 972 CA PRO A 63 9.836 4.008 -6.274 1.00 0.00 C ATOM 973 C PRO A 63 10.621 2.924 -5.538 1.00 0.00 C ATOM 974 O PRO A 63 11.434 2.218 -6.136 1.00 0.00 O ATOM 975 CB PRO A 63 9.643 3.621 -7.744 1.00 0.00 C ATOM 976 CG PRO A 63 9.740 4.905 -8.494 1.00 0.00 C ATOM 977 CD PRO A 63 10.718 5.755 -7.733 1.00 0.00 C ATOM 0 HA PRO A 63 8.903 4.107 -5.719 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.406 2.914 -8.070 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.677 3.142 -7.903 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.082 4.736 -9.515 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.768 5.393 -8.560 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.737 5.617 -8.093 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.488 6.816 -7.827 1.00 0.00 H new ATOM 985 N MET A 64 10.370 2.796 -4.239 1.00 0.00 N ATOM 986 CA MET A 64 11.042 1.791 -3.422 1.00 0.00 C ATOM 987 C MET A 64 10.591 0.385 -3.808 1.00 0.00 C ATOM 988 O MET A 64 11.236 -0.604 -3.457 1.00 0.00 O ATOM 989 CB MET A 64 10.761 2.037 -1.938 1.00 0.00 C ATOM 990 CG MET A 64 11.869 2.796 -1.227 1.00 0.00 C ATOM 991 SD MET A 64 12.941 1.716 -0.261 1.00 0.00 S ATOM 992 CE MET A 64 13.586 2.871 0.946 1.00 0.00 C ATOM 0 H MET A 64 9.705 3.377 -3.728 1.00 0.00 H new ATOM 0 HA MET A 64 12.114 1.873 -3.601 1.00 0.00 H new ATOM 0 HB2 MET A 64 9.830 2.595 -1.841 1.00 0.00 H new ATOM 0 HB3 MET A 64 10.612 1.078 -1.441 1.00 0.00 H new ATOM 0 HG2 MET A 64 12.468 3.331 -1.964 1.00 0.00 H new ATOM 0 HG3 MET A 64 11.427 3.545 -0.570 1.00 0.00 H new ATOM 0 HE1 MET A 64 14.268 2.351 1.619 1.00 0.00 H new ATOM 0 HE2 MET A 64 14.121 3.671 0.434 1.00 0.00 H new ATOM 0 HE3 MET A 64 12.762 3.295 1.521 1.00 0.00 H new ATOM 1002 N SER A 65 9.478 0.304 -4.530 1.00 0.00 N ATOM 1003 CA SER A 65 8.944 -0.981 -4.962 1.00 0.00 C ATOM 1004 C SER A 65 9.914 -1.682 -5.907 1.00 0.00 C ATOM 1005 O SER A 65 9.742 -2.857 -6.224 1.00 0.00 O ATOM 1006 CB SER A 65 7.587 -0.795 -5.645 1.00 0.00 C ATOM 1007 OG SER A 65 7.745 -0.461 -7.013 1.00 0.00 O ATOM 0 H SER A 65 8.930 1.111 -4.827 1.00 0.00 H new ATOM 0 HA SER A 65 8.811 -1.605 -4.078 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.003 -1.711 -5.556 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.026 -0.010 -5.138 1.00 0.00 H new ATOM 0 HG SER A 65 6.864 -0.349 -7.426 1.00 0.00 H new ATOM 1013 N LYS A 66 10.939 -0.955 -6.347 1.00 0.00 N ATOM 1014 CA LYS A 66 11.942 -1.517 -7.243 1.00 0.00 C ATOM 1015 C LYS A 66 12.661 -2.686 -6.578 1.00 0.00 C ATOM 1016 O LYS A 66 13.048 -3.647 -7.241 1.00 0.00 O ATOM 1017 CB LYS A 66 12.952 -0.445 -7.657 1.00 0.00 C ATOM 1018 CG LYS A 66 13.734 0.140 -6.492 1.00 0.00 C ATOM 1019 CD LYS A 66 14.908 0.975 -6.974 1.00 0.00 C ATOM 1020 CE LYS A 66 15.880 1.277 -5.846 1.00 0.00 C ATOM 1021 NZ LYS A 66 17.268 0.857 -6.184 1.00 0.00 N ATOM 0 H LYS A 66 11.095 0.022 -6.097 1.00 0.00 H new ATOM 0 HA LYS A 66 11.435 -1.883 -8.136 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.652 -0.875 -8.373 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.425 0.360 -8.170 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.074 0.756 -5.882 1.00 0.00 H new ATOM 0 HG3 LYS A 66 14.097 -0.666 -5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 66 15.429 0.445 -7.772 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.541 1.909 -7.399 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.866 2.345 -5.631 1.00 0.00 H new ATOM 0 HE3 LYS A 66 15.556 0.765 -4.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 17.901 1.080 -5.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 17.287 -0.167 -6.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 17.587 1.365 -7.034 1.00 0.00 H new ATOM 1035 N GLU A 67 12.827 -2.597 -5.261 1.00 0.00 N ATOM 1036 CA GLU A 67 13.463 -3.661 -4.491 1.00 0.00 C ATOM 1037 C GLU A 67 12.406 -4.608 -3.935 1.00 0.00 C ATOM 1038 O GLU A 67 12.651 -5.805 -3.744 1.00 0.00 O ATOM 1039 CB GLU A 67 14.293 -3.072 -3.348 1.00 0.00 C ATOM 1040 CG GLU A 67 15.784 -3.334 -3.481 1.00 0.00 C ATOM 1041 CD GLU A 67 16.404 -3.849 -2.196 1.00 0.00 C ATOM 1042 OE1 GLU A 67 15.662 -4.409 -1.361 1.00 0.00 O ATOM 1043 OE2 GLU A 67 17.631 -3.693 -2.026 1.00 0.00 O ATOM 0 H GLU A 67 12.529 -1.796 -4.704 1.00 0.00 H new ATOM 0 HA GLU A 67 14.127 -4.218 -5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.124 -1.996 -3.305 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.942 -3.488 -2.404 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.952 -4.060 -4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.286 -2.413 -3.778 1.00 0.00 H new ATOM 1050 N ARG A 68 11.216 -4.065 -3.703 1.00 0.00 N ATOM 1051 CA ARG A 68 10.107 -4.856 -3.196 1.00 0.00 C ATOM 1052 C ARG A 68 9.745 -5.965 -4.179 1.00 0.00 C ATOM 1053 O ARG A 68 9.461 -7.091 -3.776 1.00 0.00 O ATOM 1054 CB ARG A 68 8.891 -3.964 -2.939 1.00 0.00 C ATOM 1055 CG ARG A 68 8.991 -3.153 -1.656 1.00 0.00 C ATOM 1056 CD ARG A 68 7.835 -2.174 -1.525 1.00 0.00 C ATOM 1057 NE ARG A 68 8.231 -0.945 -0.843 1.00 0.00 N ATOM 1058 CZ ARG A 68 8.280 -0.819 0.480 1.00 0.00 C ATOM 1059 NH1 ARG A 68 7.961 -1.843 1.261 1.00 0.00 N ATOM 1060 NH2 ARG A 68 8.650 0.332 1.025 1.00 0.00 N ATOM 0 H ARG A 68 10.997 -3.081 -3.859 1.00 0.00 H new ATOM 0 HA ARG A 68 10.414 -5.313 -2.255 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.766 -3.283 -3.781 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.997 -4.586 -2.897 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.998 -3.826 -0.798 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.935 -2.608 -1.641 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.452 -1.931 -2.516 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.021 -2.647 -0.976 1.00 0.00 H new ATOM 0 HE ARG A 68 8.484 -0.138 -1.413 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.677 -2.731 0.847 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.000 -1.742 2.275 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.897 1.122 0.429 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.687 0.427 2.040 1.00 0.00 H new ATOM 1074 N ILE A 69 9.782 -5.644 -5.473 1.00 0.00 N ATOM 1075 CA ILE A 69 9.454 -6.617 -6.514 1.00 0.00 C ATOM 1076 C ILE A 69 10.326 -7.872 -6.397 1.00 0.00 C ATOM 1077 O ILE A 69 9.798 -8.971 -6.260 1.00 0.00 O ATOM 1078 CB ILE A 69 9.586 -6.018 -7.931 1.00 0.00 C ATOM 1079 CG1 ILE A 69 8.561 -4.900 -8.133 1.00 0.00 C ATOM 1080 CG2 ILE A 69 9.409 -7.098 -8.988 1.00 0.00 C ATOM 1081 CD1 ILE A 69 9.016 -3.832 -9.105 1.00 0.00 C ATOM 0 H ILE A 69 10.035 -4.720 -5.824 1.00 0.00 H new ATOM 0 HA ILE A 69 8.411 -6.895 -6.360 1.00 0.00 H new ATOM 0 HB ILE A 69 10.586 -5.597 -8.035 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.628 -5.334 -8.493 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.346 -4.436 -7.170 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.505 -6.656 -9.980 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.173 -7.864 -8.857 1.00 0.00 H new ATOM 0 HG23 ILE A 69 8.422 -7.548 -8.886 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.240 -3.072 -9.200 1.00 0.00 H new ATOM 0 HD12 ILE A 69 9.933 -3.371 -8.737 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.203 -4.283 -10.080 1.00 0.00 H new ATOM 1093 N PRO A 70 11.672 -7.735 -6.437 1.00 0.00 N ATOM 1094 CA PRO A 70 12.579 -8.881 -6.318 1.00 0.00 C ATOM 1095 C PRO A 70 12.181 -9.822 -5.184 1.00 0.00 C ATOM 1096 O PRO A 70 12.247 -11.043 -5.324 1.00 0.00 O ATOM 1097 CB PRO A 70 13.929 -8.231 -6.025 1.00 0.00 C ATOM 1098 CG PRO A 70 13.854 -6.902 -6.689 1.00 0.00 C ATOM 1099 CD PRO A 70 12.413 -6.468 -6.601 1.00 0.00 C ATOM 0 HA PRO A 70 12.574 -9.501 -7.214 1.00 0.00 H new ATOM 0 HB2 PRO A 70 14.097 -8.130 -4.953 1.00 0.00 H new ATOM 0 HB3 PRO A 70 14.751 -8.827 -6.421 1.00 0.00 H new ATOM 0 HG2 PRO A 70 14.508 -6.183 -6.195 1.00 0.00 H new ATOM 0 HG3 PRO A 70 14.178 -6.967 -7.728 1.00 0.00 H new ATOM 0 HD2 PRO A 70 12.248 -5.797 -5.758 1.00 0.00 H new ATOM 0 HD3 PRO A 70 12.100 -5.935 -7.499 1.00 0.00 H new ATOM 1107 N GLU A 71 11.744 -9.248 -4.066 1.00 0.00 N ATOM 1108 CA GLU A 71 11.337 -10.047 -2.913 1.00 0.00 C ATOM 1109 C GLU A 71 10.016 -10.774 -3.173 1.00 0.00 C ATOM 1110 O GLU A 71 9.954 -12.008 -3.139 1.00 0.00 O ATOM 1111 CB GLU A 71 11.209 -9.159 -1.676 1.00 0.00 C ATOM 1112 CG GLU A 71 12.422 -9.217 -0.764 1.00 0.00 C ATOM 1113 CD GLU A 71 13.607 -8.447 -1.315 1.00 0.00 C ATOM 1114 OE1 GLU A 71 13.482 -7.218 -1.500 1.00 0.00 O ATOM 1115 OE2 GLU A 71 14.659 -9.073 -1.561 1.00 0.00 O ATOM 0 H GLU A 71 11.663 -8.240 -3.934 1.00 0.00 H new ATOM 0 HA GLU A 71 12.107 -10.799 -2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.051 -8.128 -1.993 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.325 -9.459 -1.113 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.156 -8.815 0.214 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.709 -10.258 -0.613 1.00 0.00 H new ATOM 1122 N THR A 72 8.957 -10.006 -3.420 1.00 0.00 N ATOM 1123 CA THR A 72 7.634 -10.578 -3.657 1.00 0.00 C ATOM 1124 C THR A 72 7.651 -11.566 -4.819 1.00 0.00 C ATOM 1125 O THR A 72 6.876 -12.519 -4.837 1.00 0.00 O ATOM 1126 CB THR A 72 6.611 -9.475 -3.939 1.00 0.00 C ATOM 1127 OG1 THR A 72 7.230 -8.203 -3.950 1.00 0.00 O ATOM 1128 CG2 THR A 72 5.484 -9.428 -2.932 1.00 0.00 C ATOM 0 H THR A 72 8.989 -8.987 -3.461 1.00 0.00 H new ATOM 0 HA THR A 72 7.347 -11.114 -2.752 1.00 0.00 H new ATOM 0 HB THR A 72 6.193 -9.718 -4.916 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.558 -7.514 -4.133 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.796 -8.623 -3.193 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.950 -10.378 -2.939 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.892 -9.248 -1.937 1.00 0.00 H new ATOM 1136 N VAL A 73 8.522 -11.328 -5.796 1.00 0.00 N ATOM 1137 CA VAL A 73 8.613 -12.205 -6.958 1.00 0.00 C ATOM 1138 C VAL A 73 9.301 -13.514 -6.597 1.00 0.00 C ATOM 1139 O VAL A 73 9.043 -14.549 -7.211 1.00 0.00 O ATOM 1140 CB VAL A 73 9.349 -11.537 -8.138 1.00 0.00 C ATOM 1141 CG1 VAL A 73 10.844 -11.452 -7.874 1.00 0.00 C ATOM 1142 CG2 VAL A 73 9.074 -12.289 -9.431 1.00 0.00 C ATOM 0 H VAL A 73 9.170 -10.541 -5.806 1.00 0.00 H new ATOM 0 HA VAL A 73 7.591 -12.411 -7.275 1.00 0.00 H new ATOM 0 HB VAL A 73 8.969 -10.520 -8.241 1.00 0.00 H new ATOM 0 HG11 VAL A 73 11.337 -10.977 -8.722 1.00 0.00 H new ATOM 0 HG12 VAL A 73 11.022 -10.863 -6.974 1.00 0.00 H new ATOM 0 HG13 VAL A 73 11.247 -12.455 -7.736 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.601 -11.804 -10.253 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.421 -13.318 -9.334 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.003 -12.285 -9.634 1.00 0.00 H new ATOM 1152 N LYS A 74 10.152 -13.470 -5.575 1.00 0.00 N ATOM 1153 CA LYS A 74 10.820 -14.673 -5.101 1.00 0.00 C ATOM 1154 C LYS A 74 9.773 -15.695 -4.691 1.00 0.00 C ATOM 1155 O LYS A 74 9.826 -16.859 -5.090 1.00 0.00 O ATOM 1156 CB LYS A 74 11.728 -14.350 -3.914 1.00 0.00 C ATOM 1157 CG LYS A 74 13.187 -14.711 -4.146 1.00 0.00 C ATOM 1158 CD LYS A 74 13.534 -16.054 -3.525 1.00 0.00 C ATOM 1159 CE LYS A 74 15.030 -16.189 -3.291 1.00 0.00 C ATOM 1160 NZ LYS A 74 15.527 -17.549 -3.645 1.00 0.00 N ATOM 0 H LYS A 74 10.392 -12.620 -5.064 1.00 0.00 H new ATOM 0 HA LYS A 74 11.437 -15.079 -5.903 1.00 0.00 H new ATOM 0 HB2 LYS A 74 11.657 -13.285 -3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.366 -14.883 -3.035 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.390 -14.741 -5.217 1.00 0.00 H new ATOM 0 HG3 LYS A 74 13.826 -13.937 -3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.005 -16.166 -2.579 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.193 -16.857 -4.178 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.559 -15.443 -3.884 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.254 -15.981 -2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.551 -17.600 -3.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.041 -18.259 -3.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.336 -17.738 -4.650 1.00 0.00 H new ATOM 1174 N LYS A 75 8.786 -15.226 -3.934 1.00 0.00 N ATOM 1175 CA LYS A 75 7.676 -16.069 -3.511 1.00 0.00 C ATOM 1176 C LYS A 75 6.552 -16.020 -4.545 1.00 0.00 C ATOM 1177 O LYS A 75 6.346 -16.973 -5.298 1.00 0.00 O ATOM 1178 CB LYS A 75 7.156 -15.620 -2.144 1.00 0.00 C ATOM 1179 CG LYS A 75 8.256 -15.400 -1.116 1.00 0.00 C ATOM 1180 CD LYS A 75 8.602 -13.926 -0.974 1.00 0.00 C ATOM 1181 CE LYS A 75 7.534 -13.176 -0.194 1.00 0.00 C ATOM 1182 NZ LYS A 75 8.107 -12.049 0.592 1.00 0.00 N ATOM 0 H LYS A 75 8.734 -14.263 -3.601 1.00 0.00 H new ATOM 0 HA LYS A 75 8.032 -17.096 -3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.593 -14.695 -2.265 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.461 -16.369 -1.765 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.937 -15.794 -0.151 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.146 -15.957 -1.410 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.562 -13.824 -0.469 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.713 -13.480 -1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.783 -12.792 -0.884 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.025 -13.866 0.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.346 -11.564 1.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.805 -12.418 1.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.571 -11.377 -0.052 1.00 0.00 H new ATOM 1196 N LEU A 76 5.830 -14.902 -4.579 1.00 0.00 N ATOM 1197 CA LEU A 76 4.756 -14.704 -5.549 1.00 0.00 C ATOM 1198 C LEU A 76 5.256 -13.878 -6.733 1.00 0.00 C ATOM 1199 O LEU A 76 6.023 -14.363 -7.563 1.00 0.00 O ATOM 1200 CB LEU A 76 3.558 -14.004 -4.896 1.00 0.00 C ATOM 1201 CG LEU A 76 3.909 -13.019 -3.778 1.00 0.00 C ATOM 1202 CD1 LEU A 76 2.936 -11.851 -3.772 1.00 0.00 C ATOM 1203 CD2 LEU A 76 3.914 -13.723 -2.429 1.00 0.00 C ATOM 0 H LEU A 76 5.970 -14.117 -3.943 1.00 0.00 H new ATOM 0 HA LEU A 76 4.436 -15.683 -5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.004 -13.470 -5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.889 -14.764 -4.492 1.00 0.00 H new ATOM 0 HG LEU A 76 4.910 -12.629 -3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.201 -11.161 -2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.985 -11.332 -4.729 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.924 -12.222 -3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.166 -13.007 -1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.927 -14.142 -2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.653 -14.524 -2.439 1.00 0.00 H new ATOM 1215 N GLY A 77 4.821 -12.622 -6.791 1.00 0.00 N ATOM 1216 CA GLY A 77 5.248 -11.728 -7.845 1.00 0.00 C ATOM 1217 C GLY A 77 5.373 -10.303 -7.348 1.00 0.00 C ATOM 1218 O GLY A 77 6.449 -9.874 -6.931 1.00 0.00 O ATOM 0 H GLY A 77 4.175 -12.208 -6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.207 -12.062 -8.240 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.534 -11.766 -8.667 1.00 0.00 H new ATOM 1222 N HIS A 78 4.277 -9.560 -7.430 1.00 0.00 N ATOM 1223 CA HIS A 78 4.240 -8.185 -6.955 1.00 0.00 C ATOM 1224 C HIS A 78 2.847 -7.847 -6.429 1.00 0.00 C ATOM 1225 O HIS A 78 1.847 -8.341 -6.952 1.00 0.00 O ATOM 1226 CB HIS A 78 4.636 -7.224 -8.076 1.00 0.00 C ATOM 1227 CG HIS A 78 4.215 -7.681 -9.440 1.00 0.00 C ATOM 1228 ND1 HIS A 78 2.926 -8.089 -9.693 1.00 0.00 N ATOM 1229 CD2 HIS A 78 4.940 -7.771 -10.582 1.00 0.00 C ATOM 1230 CE1 HIS A 78 2.894 -8.417 -10.972 1.00 0.00 C ATOM 1231 NE2 HIS A 78 4.092 -8.241 -11.550 1.00 0.00 N ATOM 0 H HIS A 78 3.396 -9.891 -7.824 1.00 0.00 H new ATOM 0 HA HIS A 78 4.956 -8.077 -6.140 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.195 -6.247 -7.878 1.00 0.00 H new ATOM 0 HB3 HIS A 78 5.718 -7.093 -8.065 1.00 0.00 H new ATOM 0 HD1 HIS A 78 2.153 -8.130 -9.029 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.983 -7.521 -10.705 1.00 0.00 H new ATOM 0 HE1 HIS A 78 2.017 -8.780 -11.486 1.00 0.00 H new ATOM 1239 N GLU A 79 2.779 -7.012 -5.396 1.00 0.00 N ATOM 1240 CA GLU A 79 1.510 -6.611 -4.832 1.00 0.00 C ATOM 1241 C GLU A 79 1.093 -5.271 -5.414 1.00 0.00 C ATOM 1242 O GLU A 79 0.950 -4.286 -4.695 1.00 0.00 O ATOM 1243 CB GLU A 79 1.628 -6.514 -3.312 1.00 0.00 C ATOM 1244 CG GLU A 79 2.912 -7.111 -2.753 1.00 0.00 C ATOM 1245 CD GLU A 79 3.410 -6.379 -1.522 1.00 0.00 C ATOM 1246 OE1 GLU A 79 2.590 -5.726 -0.845 1.00 0.00 O ATOM 1247 OE2 GLU A 79 4.624 -6.459 -1.236 1.00 0.00 O ATOM 0 H GLU A 79 3.593 -6.604 -4.937 1.00 0.00 H new ATOM 0 HA GLU A 79 0.752 -7.355 -5.079 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.569 -5.466 -3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.776 -7.020 -2.858 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.743 -8.159 -2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.684 -7.087 -3.522 1.00 0.00 H new ATOM 1254 N VAL A 80 0.904 -5.237 -6.726 1.00 0.00 N ATOM 1255 CA VAL A 80 0.562 -3.999 -7.405 1.00 0.00 C ATOM 1256 C VAL A 80 -0.931 -3.896 -7.656 1.00 0.00 C ATOM 1257 O VAL A 80 -1.514 -4.715 -8.367 1.00 0.00 O ATOM 1258 CB VAL A 80 1.300 -3.864 -8.750 1.00 0.00 C ATOM 1259 CG1 VAL A 80 1.707 -2.417 -8.981 1.00 0.00 C ATOM 1260 CG2 VAL A 80 2.511 -4.788 -8.799 1.00 0.00 C ATOM 0 H VAL A 80 0.982 -6.050 -7.337 1.00 0.00 H new ATOM 0 HA VAL A 80 0.874 -3.192 -6.743 1.00 0.00 H new ATOM 0 HB VAL A 80 0.623 -4.163 -9.550 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.228 -2.333 -9.935 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.818 -1.787 -8.997 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.368 -2.092 -8.177 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.016 -4.675 -9.758 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.199 -4.529 -7.994 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.185 -5.821 -8.680 1.00 0.00 H new ATOM 1270 N LEU A 81 -1.540 -2.873 -7.073 1.00 0.00 N ATOM 1271 CA LEU A 81 -2.966 -2.647 -7.231 1.00 0.00 C ATOM 1272 C LEU A 81 -3.256 -1.188 -7.541 1.00 0.00 C ATOM 1273 O LEU A 81 -4.252 -0.873 -8.191 1.00 0.00 O ATOM 1274 CB LEU A 81 -3.711 -3.067 -5.966 1.00 0.00 C ATOM 1275 CG LEU A 81 -3.256 -2.357 -4.694 1.00 0.00 C ATOM 1276 CD1 LEU A 81 -4.453 -1.911 -3.871 1.00 0.00 C ATOM 1277 CD2 LEU A 81 -2.345 -3.260 -3.879 1.00 0.00 C ATOM 0 H LEU A 81 -1.066 -2.187 -6.486 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.312 -3.252 -8.069 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.776 -2.881 -6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.590 -4.142 -5.829 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.692 -1.469 -4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.107 -1.407 -2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.063 -1.225 -4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.049 -2.781 -3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.030 -2.738 -2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.883 -4.168 -3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.468 -3.522 -4.471 1.00 0.00 H new ATOM 1289 N GLU A 82 -2.386 -0.294 -7.074 1.00 0.00 N ATOM 1290 CA GLU A 82 -2.591 1.133 -7.317 1.00 0.00 C ATOM 1291 C GLU A 82 -1.282 1.916 -7.316 1.00 0.00 C ATOM 1292 O GLU A 82 -0.399 1.675 -6.496 1.00 0.00 O ATOM 1293 CB GLU A 82 -3.545 1.712 -6.272 1.00 0.00 C ATOM 1294 CG GLU A 82 -4.752 2.413 -6.872 1.00 0.00 C ATOM 1295 CD GLU A 82 -4.688 3.920 -6.720 1.00 0.00 C ATOM 1296 OE1 GLU A 82 -4.473 4.392 -5.584 1.00 0.00 O ATOM 1297 OE2 GLU A 82 -4.855 4.627 -7.735 1.00 0.00 O ATOM 0 H GLU A 82 -1.550 -0.525 -6.537 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.028 1.231 -8.311 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.889 0.908 -5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.999 2.418 -5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.825 2.161 -7.930 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.658 2.042 -6.393 1.00 0.00 H new ATOM 1304 N ILE A 83 -1.181 2.866 -8.245 1.00 0.00 N ATOM 1305 CA ILE A 83 -0.008 3.731 -8.355 1.00 0.00 C ATOM 1306 C ILE A 83 -0.429 5.138 -8.775 1.00 0.00 C ATOM 1307 O ILE A 83 -1.153 5.306 -9.757 1.00 0.00 O ATOM 1308 CB ILE A 83 1.016 3.190 -9.376 1.00 0.00 C ATOM 1309 CG1 ILE A 83 1.336 1.721 -9.095 1.00 0.00 C ATOM 1310 CG2 ILE A 83 2.287 4.026 -9.343 1.00 0.00 C ATOM 1311 CD1 ILE A 83 0.533 0.754 -9.939 1.00 0.00 C ATOM 0 H ILE A 83 -1.905 3.057 -8.938 1.00 0.00 H new ATOM 0 HA ILE A 83 0.465 3.755 -7.373 1.00 0.00 H new ATOM 0 HB ILE A 83 0.578 3.260 -10.372 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.398 1.549 -9.271 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.150 1.512 -8.042 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.000 3.633 -10.068 1.00 0.00 H new ATOM 0 HG22 ILE A 83 2.049 5.060 -9.592 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.724 3.985 -8.345 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.812 -0.269 -9.686 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.530 0.898 -9.746 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.738 0.935 -10.994 1.00 0.00 H new ATOM 1323 N GLU A 84 0.013 6.145 -8.025 1.00 0.00 N ATOM 1324 CA GLU A 84 -0.349 7.527 -8.324 1.00 0.00 C ATOM 1325 C GLU A 84 0.672 8.503 -7.759 1.00 0.00 C ATOM 1326 O GLU A 84 1.683 8.104 -7.179 1.00 0.00 O ATOM 1327 CB GLU A 84 -1.734 7.842 -7.758 1.00 0.00 C ATOM 1328 CG GLU A 84 -1.881 7.498 -6.284 1.00 0.00 C ATOM 1329 CD GLU A 84 -2.901 8.371 -5.579 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -3.972 8.628 -6.169 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -2.630 8.797 -4.438 1.00 0.00 O ATOM 0 H GLU A 84 0.618 6.031 -7.212 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.364 7.641 -9.408 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.942 8.903 -7.898 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.484 7.293 -8.327 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.174 6.453 -6.186 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.914 7.605 -5.792 1.00 0.00 H new ATOM 1338 N GLU A 85 0.383 9.786 -7.919 1.00 0.00 N ATOM 1339 CA GLU A 85 1.262 10.841 -7.428 1.00 0.00 C ATOM 1340 C GLU A 85 0.463 11.904 -6.681 1.00 0.00 C ATOM 1341 O GLU A 85 -0.755 11.999 -6.835 1.00 0.00 O ATOM 1342 CB GLU A 85 2.022 11.482 -8.592 1.00 0.00 C ATOM 1343 CG GLU A 85 1.148 11.789 -9.797 1.00 0.00 C ATOM 1344 CD GLU A 85 1.953 12.220 -11.008 1.00 0.00 C ATOM 1345 OE1 GLU A 85 2.854 13.070 -10.850 1.00 0.00 O ATOM 1346 OE2 GLU A 85 1.681 11.709 -12.115 1.00 0.00 O ATOM 0 H GLU A 85 -0.458 10.124 -8.387 1.00 0.00 H new ATOM 0 HA GLU A 85 1.978 10.395 -6.738 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.486 12.406 -8.246 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.828 10.815 -8.899 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.562 10.905 -10.051 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.441 12.576 -9.537 1.00 0.00 H new ATOM 1353 N VAL A 86 1.154 12.697 -5.866 1.00 0.00 N ATOM 1354 CA VAL A 86 0.501 13.740 -5.082 1.00 0.00 C ATOM 1355 C VAL A 86 0.938 15.128 -5.537 1.00 0.00 C ATOM 1356 O VAL A 86 0.105 15.969 -5.878 1.00 0.00 O ATOM 1357 CB VAL A 86 0.802 13.591 -3.577 1.00 0.00 C ATOM 1358 CG1 VAL A 86 -0.383 14.064 -2.748 1.00 0.00 C ATOM 1359 CG2 VAL A 86 1.158 12.151 -3.236 1.00 0.00 C ATOM 0 H VAL A 86 2.163 12.637 -5.732 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.571 13.626 -5.244 1.00 0.00 H new ATOM 0 HB VAL A 86 1.662 14.217 -3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.154 13.952 -1.688 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.585 15.113 -2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.261 13.467 -2.994 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.366 12.071 -2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.323 11.499 -3.493 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.040 11.851 -3.801 1.00 0.00 H new ATOM 1369 N GLY A 87 2.247 15.364 -5.537 1.00 0.00 N ATOM 1370 CA GLY A 87 2.768 16.657 -5.942 1.00 0.00 C ATOM 1371 C GLY A 87 3.756 16.558 -7.091 1.00 0.00 C ATOM 1372 O GLY A 87 3.547 15.779 -8.022 1.00 0.00 O ATOM 0 H GLY A 87 2.956 14.683 -5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.940 17.302 -6.235 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.255 17.131 -5.090 1.00 0.00 H new ATOM 1376 N PRO A 88 4.848 17.345 -7.059 1.00 0.00 N ATOM 1377 CA PRO A 88 5.862 17.335 -8.121 1.00 0.00 C ATOM 1378 C PRO A 88 6.568 15.987 -8.239 1.00 0.00 C ATOM 1379 O PRO A 88 6.202 15.157 -9.070 1.00 0.00 O ATOM 1380 CB PRO A 88 6.848 18.429 -7.695 1.00 0.00 C ATOM 1381 CG PRO A 88 6.635 18.591 -6.230 1.00 0.00 C ATOM 1382 CD PRO A 88 5.179 18.307 -5.992 1.00 0.00 C ATOM 0 HA PRO A 88 5.421 17.508 -9.103 1.00 0.00 H new ATOM 0 HB2 PRO A 88 7.876 18.141 -7.915 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.657 19.361 -8.227 1.00 0.00 H new ATOM 0 HG2 PRO A 88 7.265 17.903 -5.665 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.894 19.599 -5.907 1.00 0.00 H new ATOM 0 HD2 PRO A 88 5.007 17.886 -5.002 1.00 0.00 H new ATOM 0 HD3 PRO A 88 4.575 19.211 -6.063 1.00 0.00 H new ATOM 1390 N SER A 89 7.585 15.776 -7.407 1.00 0.00 N ATOM 1391 CA SER A 89 8.340 14.528 -7.425 1.00 0.00 C ATOM 1392 C SER A 89 7.863 13.585 -6.327 1.00 0.00 C ATOM 1393 O SER A 89 8.374 12.475 -6.181 1.00 0.00 O ATOM 1394 CB SER A 89 9.835 14.807 -7.260 1.00 0.00 C ATOM 1395 OG SER A 89 10.096 15.476 -6.039 1.00 0.00 O ATOM 0 H SER A 89 7.904 16.452 -6.713 1.00 0.00 H new ATOM 0 HA SER A 89 8.172 14.047 -8.389 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.389 13.869 -7.290 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.189 15.413 -8.094 1.00 0.00 H new ATOM 0 HG SER A 89 11.058 15.642 -5.956 1.00 0.00 H new ATOM 1401 N GLU A 90 6.881 14.039 -5.558 1.00 0.00 N ATOM 1402 CA GLU A 90 6.322 13.236 -4.476 1.00 0.00 C ATOM 1403 C GLU A 90 5.106 12.454 -4.960 1.00 0.00 C ATOM 1404 O GLU A 90 4.137 13.036 -5.447 1.00 0.00 O ATOM 1405 CB GLU A 90 5.934 14.127 -3.293 1.00 0.00 C ATOM 1406 CG GLU A 90 5.283 15.438 -3.703 1.00 0.00 C ATOM 1407 CD GLU A 90 4.795 16.244 -2.516 1.00 0.00 C ATOM 1408 OE1 GLU A 90 3.796 15.834 -1.889 1.00 0.00 O ATOM 1409 OE2 GLU A 90 5.413 17.285 -2.211 1.00 0.00 O ATOM 0 H GLU A 90 6.455 14.960 -5.663 1.00 0.00 H new ATOM 0 HA GLU A 90 7.084 12.529 -4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.250 13.579 -2.646 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.826 14.343 -2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 90 5.999 16.032 -4.271 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.443 15.230 -4.366 1.00 0.00 H new ATOM 1416 N TRP A 91 5.165 11.132 -4.829 1.00 0.00 N ATOM 1417 CA TRP A 91 4.066 10.277 -5.261 1.00 0.00 C ATOM 1418 C TRP A 91 3.754 9.208 -4.220 1.00 0.00 C ATOM 1419 O TRP A 91 4.542 8.964 -3.303 1.00 0.00 O ATOM 1420 CB TRP A 91 4.391 9.611 -6.601 1.00 0.00 C ATOM 1421 CG TRP A 91 5.859 9.525 -6.897 1.00 0.00 C ATOM 1422 CD1 TRP A 91 6.800 8.830 -6.193 1.00 0.00 C ATOM 1423 CD2 TRP A 91 6.548 10.145 -7.988 1.00 0.00 C ATOM 1424 NE1 TRP A 91 8.034 8.986 -6.776 1.00 0.00 N ATOM 1425 CE2 TRP A 91 7.906 9.789 -7.880 1.00 0.00 C ATOM 1426 CE3 TRP A 91 6.151 10.969 -9.045 1.00 0.00 C ATOM 1427 CZ2 TRP A 91 8.866 10.229 -8.787 1.00 0.00 C ATOM 1428 CZ3 TRP A 91 7.105 11.405 -9.945 1.00 0.00 C ATOM 1429 CH2 TRP A 91 8.448 11.035 -9.812 1.00 0.00 C ATOM 0 H TRP A 91 5.959 10.632 -4.429 1.00 0.00 H new ATOM 0 HA TRP A 91 3.188 10.911 -5.381 1.00 0.00 H new ATOM 0 HB2 TRP A 91 3.970 8.606 -6.608 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.901 10.167 -7.400 1.00 0.00 H new ATOM 0 HD1 TRP A 91 6.603 8.244 -5.308 1.00 0.00 H new ATOM 0 HE1 TRP A 91 8.904 8.572 -6.442 1.00 0.00 H new ATOM 0 HE3 TRP A 91 5.117 11.260 -9.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 9.903 9.945 -8.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 6.809 12.042 -10.765 1.00 0.00 H new ATOM 0 HH2 TRP A 91 9.169 11.392 -10.532 1.00 0.00 H new ATOM 1440 N LYS A 92 2.595 8.575 -4.372 1.00 0.00 N ATOM 1441 CA LYS A 92 2.168 7.522 -3.461 1.00 0.00 C ATOM 1442 C LYS A 92 1.934 6.224 -4.223 1.00 0.00 C ATOM 1443 O LYS A 92 1.425 6.235 -5.344 1.00 0.00 O ATOM 1444 CB LYS A 92 0.891 7.940 -2.729 1.00 0.00 C ATOM 1445 CG LYS A 92 0.347 6.872 -1.795 1.00 0.00 C ATOM 1446 CD LYS A 92 -0.005 7.449 -0.433 1.00 0.00 C ATOM 1447 CE LYS A 92 -1.486 7.778 -0.333 1.00 0.00 C ATOM 1448 NZ LYS A 92 -1.714 9.213 -0.008 1.00 0.00 N ATOM 0 H LYS A 92 1.933 8.775 -5.122 1.00 0.00 H new ATOM 0 HA LYS A 92 2.957 7.359 -2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.091 8.845 -2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.127 8.191 -3.464 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -0.539 6.417 -2.238 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.087 6.080 -1.676 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.264 6.736 0.346 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.582 8.350 -0.256 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.976 7.537 -1.276 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.946 7.154 0.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -2.736 9.397 0.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.268 9.437 0.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.298 9.808 -0.752 1.00 0.00 H new ATOM 1462 N ILE A 93 2.312 5.108 -3.613 1.00 0.00 N ATOM 1463 CA ILE A 93 2.159 3.806 -4.249 1.00 0.00 C ATOM 1464 C ILE A 93 1.378 2.848 -3.358 1.00 0.00 C ATOM 1465 O ILE A 93 1.387 2.975 -2.135 1.00 0.00 O ATOM 1466 CB ILE A 93 3.527 3.179 -4.581 1.00 0.00 C ATOM 1467 CG1 ILE A 93 4.503 4.252 -5.066 1.00 0.00 C ATOM 1468 CG2 ILE A 93 3.372 2.087 -5.628 1.00 0.00 C ATOM 1469 CD1 ILE A 93 5.497 4.687 -4.010 1.00 0.00 C ATOM 0 H ILE A 93 2.726 5.078 -2.681 1.00 0.00 H new ATOM 0 HA ILE A 93 1.607 3.969 -5.175 1.00 0.00 H new ATOM 0 HB ILE A 93 3.931 2.731 -3.673 1.00 0.00 H new ATOM 0 HG12 ILE A 93 5.047 3.873 -5.931 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.937 5.121 -5.401 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.348 1.655 -5.851 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.709 1.310 -5.248 1.00 0.00 H new ATOM 0 HG23 ILE A 93 2.948 2.512 -6.537 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.157 5.449 -4.424 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.962 5.097 -3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.089 3.829 -3.692 1.00 0.00 H new ATOM 1481 N TYR A 94 0.696 1.897 -3.983 1.00 0.00 N ATOM 1482 CA TYR A 94 -0.076 0.906 -3.247 1.00 0.00 C ATOM 1483 C TYR A 94 0.446 -0.495 -3.522 1.00 0.00 C ATOM 1484 O TYR A 94 0.280 -1.025 -4.629 1.00 0.00 O ATOM 1485 CB TYR A 94 -1.560 0.985 -3.611 1.00 0.00 C ATOM 1486 CG TYR A 94 -2.252 2.227 -3.091 1.00 0.00 C ATOM 1487 CD1 TYR A 94 -1.935 3.485 -3.589 1.00 0.00 C ATOM 1488 CD2 TYR A 94 -3.226 2.138 -2.105 1.00 0.00 C ATOM 1489 CE1 TYR A 94 -2.566 4.621 -3.114 1.00 0.00 C ATOM 1490 CE2 TYR A 94 -3.863 3.269 -1.626 1.00 0.00 C ATOM 1491 CZ TYR A 94 -3.529 4.506 -2.134 1.00 0.00 C ATOM 1492 OH TYR A 94 -4.160 5.633 -1.660 1.00 0.00 O ATOM 0 H TYR A 94 0.662 1.791 -4.997 1.00 0.00 H new ATOM 0 HA TYR A 94 0.035 1.124 -2.185 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.661 0.952 -4.696 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.068 0.105 -3.217 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.184 3.577 -4.359 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.491 1.170 -1.706 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.306 5.592 -3.509 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.618 3.183 -0.858 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.812 5.379 -0.974 1.00 0.00 H new ATOM 1502 N ILE A 95 1.039 -1.094 -2.490 1.00 0.00 N ATOM 1503 CA ILE A 95 1.559 -2.450 -2.565 1.00 0.00 C ATOM 1504 C ILE A 95 0.918 -3.260 -1.452 1.00 0.00 C ATOM 1505 O ILE A 95 0.886 -2.820 -0.300 1.00 0.00 O ATOM 1506 CB ILE A 95 3.105 -2.483 -2.466 1.00 0.00 C ATOM 1507 CG1 ILE A 95 3.666 -3.619 -3.324 1.00 0.00 C ATOM 1508 CG2 ILE A 95 3.575 -2.622 -1.024 1.00 0.00 C ATOM 1509 CD1 ILE A 95 3.958 -3.208 -4.750 1.00 0.00 C ATOM 0 H ILE A 95 1.170 -0.650 -1.581 1.00 0.00 H new ATOM 0 HA ILE A 95 1.310 -2.882 -3.534 1.00 0.00 H new ATOM 0 HB ILE A 95 3.482 -1.532 -2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.583 -3.991 -2.866 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.955 -4.445 -3.330 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.664 -2.641 -0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.212 -1.776 -0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.185 -3.548 -0.602 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.353 -4.062 -5.301 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.039 -2.863 -5.225 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.693 -2.403 -4.753 1.00 0.00 H new ATOM 1521 N LYS A 96 0.222 -4.325 -1.823 1.00 0.00 N ATOM 1522 CA LYS A 96 -0.563 -5.073 -0.846 1.00 0.00 C ATOM 1523 C LYS A 96 -0.342 -6.573 -0.967 1.00 0.00 C ATOM 1524 O LYS A 96 -0.845 -7.210 -1.894 1.00 0.00 O ATOM 1525 CB LYS A 96 -2.054 -4.762 -1.034 1.00 0.00 C ATOM 1526 CG LYS A 96 -2.543 -3.487 -0.358 1.00 0.00 C ATOM 1527 CD LYS A 96 -1.877 -2.230 -0.887 1.00 0.00 C ATOM 1528 CE LYS A 96 -2.779 -1.014 -0.741 1.00 0.00 C ATOM 1529 NZ LYS A 96 -4.222 -1.373 -0.820 1.00 0.00 N ATOM 0 H LYS A 96 0.183 -4.688 -2.776 1.00 0.00 H new ATOM 0 HA LYS A 96 -0.235 -4.764 0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.262 -4.690 -2.102 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.635 -5.602 -0.652 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -3.621 -3.403 -0.495 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.362 -3.561 0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.944 -2.058 -0.350 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.619 -2.369 -1.937 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -2.579 -0.528 0.214 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -2.542 -0.292 -1.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -4.757 -0.575 -1.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -4.339 -2.207 -1.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -4.579 -1.588 0.133 1.00 0.00 H new ATOM 1543 N VAL A 97 0.386 -7.139 -0.012 1.00 0.00 N ATOM 1544 CA VAL A 97 0.663 -8.569 -0.016 1.00 0.00 C ATOM 1545 C VAL A 97 -0.634 -9.371 -0.043 1.00 0.00 C ATOM 1546 O VAL A 97 -1.421 -9.329 0.904 1.00 0.00 O ATOM 1547 CB VAL A 97 1.499 -8.986 1.210 1.00 0.00 C ATOM 1548 CG1 VAL A 97 1.936 -10.440 1.093 1.00 0.00 C ATOM 1549 CG2 VAL A 97 2.704 -8.072 1.374 1.00 0.00 C ATOM 0 H VAL A 97 0.794 -6.631 0.773 1.00 0.00 H new ATOM 0 HA VAL A 97 1.238 -8.783 -0.917 1.00 0.00 H new ATOM 0 HB VAL A 97 0.875 -8.889 2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.525 -10.715 1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.056 -11.081 1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.540 -10.567 0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.281 -8.383 2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.330 -8.132 0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.366 -7.045 1.511 1.00 0.00 H new ATOM 1559 N LYS A 98 -0.866 -10.070 -1.150 1.00 0.00 N ATOM 1560 CA LYS A 98 -2.073 -10.872 -1.311 1.00 0.00 C ATOM 1561 C LYS A 98 -1.862 -12.287 -0.785 1.00 0.00 C ATOM 1562 O LYS A 98 -2.864 -12.939 -0.425 1.00 0.00 O ATOM 1563 CB LYS A 98 -2.485 -10.920 -2.785 1.00 0.00 C ATOM 1564 CG LYS A 98 -2.794 -9.553 -3.376 1.00 0.00 C ATOM 1565 CD LYS A 98 -4.270 -9.211 -3.248 1.00 0.00 C ATOM 1566 CE LYS A 98 -4.583 -7.854 -3.859 1.00 0.00 C ATOM 1567 NZ LYS A 98 -4.322 -6.741 -2.905 1.00 0.00 N ATOM 1568 OXT LYS A 98 -0.696 -12.729 -0.735 1.00 0.00 O ATOM 0 H LYS A 98 -0.233 -10.097 -1.949 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.869 -10.404 -0.732 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.685 -11.384 -3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.363 -11.558 -2.888 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.198 -8.794 -2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.505 -9.536 -4.427 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.866 -9.979 -3.740 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.555 -9.212 -2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.980 -7.712 -4.756 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.627 -7.828 -4.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.548 -5.834 -3.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.916 -6.862 -2.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.320 -6.749 -2.628 1.00 0.00 H new