USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=14 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 Set 1.1: A 92 LYS NZ :NH3+ -136:sc= 0.361 (180deg=0) USER MOD Set 1.2: A 94 TYR OH : rot -92:sc= 0.634 USER MOD Set 2.1: A 50 MET CE :methyl 177:sc= -1 (180deg=-1.06) USER MOD Set 2.2: A 75 LYS NZ :NH3+ 148:sc= 0 (180deg=0) USER MOD Set 3.1: A 43 THR OG1 : rot -140:sc= -0.0195 USER MOD Set 3.2: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 3.3: A 64 MET CE :methyl 146:sc= -0.231 (180deg=-0.191) USER MOD Single : A 26 THR OG1 : rot -149:sc= 0.052 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 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 49 ASN : amide:sc= -0.269 X(o=-0.27,f=-0.37) USER MOD Single : A 51 LYS NZ :NH3+ 153:sc= -0.0466 (180deg=-0.776) 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 58:sc= 0.333 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.228 K(o=-0.23,f=-1.2) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0354 USER MOD Single : A 96 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.109) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 358 N VAL A 25 -5.660 -0.495 4.308 1.00 0.00 N ATOM 359 CA VAL A 25 -4.215 -0.449 4.497 1.00 0.00 C ATOM 360 C VAL A 25 -3.850 -0.691 5.958 1.00 0.00 C ATOM 361 O VAL A 25 -4.587 -0.303 6.864 1.00 0.00 O ATOM 362 CB VAL A 25 -3.634 0.905 4.045 1.00 0.00 C ATOM 363 CG1 VAL A 25 -2.114 0.891 4.119 1.00 0.00 C ATOM 364 CG2 VAL A 25 -4.101 1.241 2.637 1.00 0.00 C ATOM 0 HA VAL A 25 -3.785 -1.240 3.882 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.999 1.678 4.722 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.725 1.856 3.796 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.801 0.699 5.145 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.725 0.107 3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.681 2.200 2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.767 0.465 1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.189 1.299 2.619 1.00 0.00 H new ATOM 374 N THR A 26 -2.709 -1.336 6.179 1.00 0.00 N ATOM 375 CA THR A 26 -2.251 -1.638 7.529 1.00 0.00 C ATOM 376 C THR A 26 -1.201 -0.632 7.990 1.00 0.00 C ATOM 377 O THR A 26 -1.429 0.127 8.932 1.00 0.00 O ATOM 378 CB THR A 26 -1.677 -3.054 7.591 1.00 0.00 C ATOM 379 OG1 THR A 26 -2.163 -3.839 6.516 1.00 0.00 O ATOM 380 CG2 THR A 26 -2.006 -3.779 8.877 1.00 0.00 C ATOM 0 H THR A 26 -2.085 -1.659 5.440 1.00 0.00 H new ATOM 0 HA THR A 26 -3.109 -1.570 8.197 1.00 0.00 H new ATOM 0 HB THR A 26 -0.596 -2.930 7.532 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.222 -4.776 6.796 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.568 -4.777 8.854 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.599 -3.224 9.722 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.088 -3.860 8.983 1.00 0.00 H new ATOM 388 N LYS A 27 -0.050 -0.634 7.325 1.00 0.00 N ATOM 389 CA LYS A 27 1.033 0.276 7.675 1.00 0.00 C ATOM 390 C LYS A 27 1.357 1.214 6.518 1.00 0.00 C ATOM 391 O LYS A 27 0.862 1.038 5.405 1.00 0.00 O ATOM 392 CB LYS A 27 2.281 -0.511 8.073 1.00 0.00 C ATOM 393 CG LYS A 27 2.782 -0.191 9.472 1.00 0.00 C ATOM 394 CD LYS A 27 4.219 0.302 9.452 1.00 0.00 C ATOM 395 CE LYS A 27 4.732 0.573 10.856 1.00 0.00 C ATOM 396 NZ LYS A 27 5.308 -0.649 11.481 1.00 0.00 N ATOM 0 H LYS A 27 0.156 -1.255 6.542 1.00 0.00 H new ATOM 0 HA LYS A 27 0.705 0.877 8.523 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.064 -1.577 8.009 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.075 -0.304 7.356 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.143 0.568 9.923 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.711 -1.081 10.097 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.853 -0.441 8.968 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.284 1.213 8.857 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.491 1.355 10.821 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.916 0.947 11.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.647 -0.423 12.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.578 -1.387 11.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.103 -0.992 10.904 1.00 0.00 H new ATOM 410 N THR A 28 2.179 2.220 6.795 1.00 0.00 N ATOM 411 CA THR A 28 2.571 3.193 5.782 1.00 0.00 C ATOM 412 C THR A 28 4.070 3.469 5.847 1.00 0.00 C ATOM 413 O THR A 28 4.614 3.732 6.919 1.00 0.00 O ATOM 414 CB THR A 28 1.790 4.496 5.973 1.00 0.00 C ATOM 415 OG1 THR A 28 0.396 4.253 5.924 1.00 0.00 O ATOM 416 CG2 THR A 28 2.110 5.550 4.933 1.00 0.00 C ATOM 0 H THR A 28 2.588 2.383 7.715 1.00 0.00 H new ATOM 0 HA THR A 28 2.339 2.778 4.801 1.00 0.00 H new ATOM 0 HB THR A 28 2.094 4.873 6.949 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.088 5.096 6.049 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.521 6.446 5.130 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.171 5.796 4.979 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.869 5.168 3.941 1.00 0.00 H new ATOM 424 N LEU A 29 4.730 3.409 4.695 1.00 0.00 N ATOM 425 CA LEU A 29 6.163 3.660 4.624 1.00 0.00 C ATOM 426 C LEU A 29 6.445 5.018 3.993 1.00 0.00 C ATOM 427 O LEU A 29 6.177 5.232 2.811 1.00 0.00 O ATOM 428 CB LEU A 29 6.858 2.559 3.826 1.00 0.00 C ATOM 429 CG LEU A 29 8.365 2.466 4.059 1.00 0.00 C ATOM 430 CD1 LEU A 29 8.658 1.831 5.409 1.00 0.00 C ATOM 431 CD2 LEU A 29 9.035 1.685 2.939 1.00 0.00 C ATOM 0 H LEU A 29 4.295 3.189 3.799 1.00 0.00 H new ATOM 0 HA LEU A 29 6.556 3.662 5.641 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.404 1.601 4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.676 2.727 2.764 1.00 0.00 H new ATOM 0 HG LEU A 29 8.775 3.476 4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.736 1.773 5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.215 2.436 6.200 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.233 0.828 5.439 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.108 1.631 3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.622 0.677 2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.856 2.187 1.988 1.00 0.00 H new ATOM 443 N ASP A 30 6.980 5.934 4.794 1.00 0.00 N ATOM 444 CA ASP A 30 7.298 7.275 4.318 1.00 0.00 C ATOM 445 C ASP A 30 8.784 7.573 4.485 1.00 0.00 C ATOM 446 O ASP A 30 9.322 7.489 5.589 1.00 0.00 O ATOM 447 CB ASP A 30 6.470 8.317 5.073 1.00 0.00 C ATOM 448 CG ASP A 30 6.247 7.937 6.524 1.00 0.00 C ATOM 449 OD1 ASP A 30 7.180 8.116 7.335 1.00 0.00 O ATOM 450 OD2 ASP A 30 5.139 7.461 6.849 1.00 0.00 O ATOM 0 H ASP A 30 7.202 5.772 5.776 1.00 0.00 H new ATOM 0 HA ASP A 30 7.052 7.324 3.257 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.975 9.282 5.026 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.506 8.438 4.580 1.00 0.00 H new ATOM 455 N VAL A 31 9.442 7.919 3.384 1.00 0.00 N ATOM 456 CA VAL A 31 10.868 8.229 3.413 1.00 0.00 C ATOM 457 C VAL A 31 11.148 9.584 2.771 1.00 0.00 C ATOM 458 O VAL A 31 12.050 9.718 1.942 1.00 0.00 O ATOM 459 CB VAL A 31 11.705 7.147 2.699 1.00 0.00 C ATOM 460 CG1 VAL A 31 13.033 6.946 3.411 1.00 0.00 C ATOM 461 CG2 VAL A 31 10.935 5.837 2.611 1.00 0.00 C ATOM 0 H VAL A 31 9.012 7.992 2.462 1.00 0.00 H new ATOM 0 HA VAL A 31 11.160 8.258 4.463 1.00 0.00 H new ATOM 0 HB VAL A 31 11.908 7.486 1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.611 6.180 2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.591 7.882 3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.851 6.632 4.439 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.545 5.090 2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.694 5.488 3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.013 5.994 2.051 1.00 0.00 H new ATOM 471 N ARG A 32 10.368 10.588 3.161 1.00 0.00 N ATOM 472 CA ARG A 32 10.531 11.937 2.628 1.00 0.00 C ATOM 473 C ARG A 32 11.824 12.568 3.139 1.00 0.00 C ATOM 474 O ARG A 32 12.908 12.289 2.623 1.00 0.00 O ATOM 475 CB ARG A 32 9.330 12.809 3.005 1.00 0.00 C ATOM 476 CG ARG A 32 8.011 12.053 3.052 1.00 0.00 C ATOM 477 CD ARG A 32 7.008 12.741 3.963 1.00 0.00 C ATOM 478 NE ARG A 32 7.404 12.668 5.367 1.00 0.00 N ATOM 479 CZ ARG A 32 6.931 13.476 6.311 1.00 0.00 C ATOM 480 NH1 ARG A 32 6.047 14.414 6.004 1.00 0.00 N ATOM 481 NH2 ARG A 32 7.343 13.345 7.565 1.00 0.00 N ATOM 0 H ARG A 32 9.617 10.493 3.844 1.00 0.00 H new ATOM 0 HA ARG A 32 10.587 11.870 1.542 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.513 13.261 3.980 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.245 13.624 2.286 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.598 11.977 2.046 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.185 11.036 3.403 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.908 13.786 3.668 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.029 12.279 3.838 1.00 0.00 H new ATOM 0 HE ARG A 32 8.082 11.956 5.639 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.727 14.518 5.041 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.686 15.032 6.731 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.023 12.624 7.806 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.980 13.965 8.289 1.00 0.00 H new ATOM 631 N THR A 43 13.010 -0.207 5.488 1.00 0.00 N ATOM 632 CA THR A 43 12.443 -0.775 4.271 1.00 0.00 C ATOM 633 C THR A 43 13.022 -2.159 4.002 1.00 0.00 C ATOM 634 O THR A 43 12.334 -3.041 3.490 1.00 0.00 O ATOM 635 CB THR A 43 12.697 0.148 3.076 1.00 0.00 C ATOM 636 OG1 THR A 43 11.888 -0.227 1.975 1.00 0.00 O ATOM 637 CG2 THR A 43 14.137 0.153 2.608 1.00 0.00 C ATOM 0 HA THR A 43 11.366 -0.872 4.412 1.00 0.00 H new ATOM 0 HB THR A 43 12.449 1.149 3.430 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.407 -0.150 1.147 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.241 0.829 1.759 1.00 0.00 H new ATOM 0 HG22 THR A 43 14.782 0.488 3.420 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.425 -0.854 2.307 1.00 0.00 H new ATOM 645 N LYS A 44 14.286 -2.352 4.371 1.00 0.00 N ATOM 646 CA LYS A 44 14.947 -3.637 4.186 1.00 0.00 C ATOM 647 C LYS A 44 14.168 -4.743 4.884 1.00 0.00 C ATOM 648 O LYS A 44 13.988 -5.830 4.337 1.00 0.00 O ATOM 649 CB LYS A 44 16.378 -3.583 4.722 1.00 0.00 C ATOM 650 CG LYS A 44 17.415 -3.261 3.659 1.00 0.00 C ATOM 651 CD LYS A 44 18.024 -4.524 3.074 1.00 0.00 C ATOM 652 CE LYS A 44 19.522 -4.375 2.863 1.00 0.00 C ATOM 653 NZ LYS A 44 20.056 -5.394 1.918 1.00 0.00 N ATOM 0 H LYS A 44 14.871 -1.634 4.799 1.00 0.00 H new ATOM 0 HA LYS A 44 14.981 -3.855 3.118 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.433 -2.833 5.511 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.623 -4.543 5.177 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.953 -2.677 2.863 1.00 0.00 H new ATOM 0 HG3 LYS A 44 18.202 -2.643 4.092 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.831 -5.364 3.741 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.543 -4.754 2.123 1.00 0.00 H new ATOM 0 HE2 LYS A 44 19.737 -3.377 2.480 1.00 0.00 H new ATOM 0 HE3 LYS A 44 20.034 -4.465 3.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 21.080 -5.257 1.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 19.874 -6.346 2.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 19.587 -5.292 0.996 1.00 0.00 H new ATOM 667 N ARG A 45 13.690 -4.451 6.091 1.00 0.00 N ATOM 668 CA ARG A 45 12.908 -5.410 6.856 1.00 0.00 C ATOM 669 C ARG A 45 11.594 -5.723 6.155 1.00 0.00 C ATOM 670 O ARG A 45 11.062 -6.824 6.277 1.00 0.00 O ATOM 671 CB ARG A 45 12.630 -4.874 8.251 1.00 0.00 C ATOM 672 CG ARG A 45 11.985 -5.905 9.155 1.00 0.00 C ATOM 673 CD ARG A 45 13.021 -6.687 9.944 1.00 0.00 C ATOM 674 NE ARG A 45 12.947 -6.409 11.375 1.00 0.00 N ATOM 675 CZ ARG A 45 13.611 -5.423 11.970 1.00 0.00 C ATOM 676 NH1 ARG A 45 14.395 -4.621 11.262 1.00 0.00 N ATOM 677 NH2 ARG A 45 13.492 -5.237 13.278 1.00 0.00 N ATOM 0 H ARG A 45 13.833 -3.556 6.558 1.00 0.00 H new ATOM 0 HA ARG A 45 13.488 -6.329 6.934 1.00 0.00 H new ATOM 0 HB2 ARG A 45 13.565 -4.537 8.699 1.00 0.00 H new ATOM 0 HB3 ARG A 45 11.979 -4.003 8.178 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.302 -5.408 9.844 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.389 -6.593 8.555 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.875 -7.754 9.775 1.00 0.00 H new ATOM 0 HD3 ARG A 45 14.017 -6.439 9.578 1.00 0.00 H new ATOM 0 HE ARG A 45 12.352 -7.005 11.951 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.491 -4.759 10.256 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.902 -3.866 11.724 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.891 -5.851 13.828 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.002 -4.480 13.734 1.00 0.00 H new ATOM 691 N ALA A 46 11.071 -4.743 5.427 1.00 0.00 N ATOM 692 CA ALA A 46 9.816 -4.918 4.705 1.00 0.00 C ATOM 693 C ALA A 46 9.896 -6.108 3.750 1.00 0.00 C ATOM 694 O ALA A 46 9.072 -7.020 3.812 1.00 0.00 O ATOM 695 CB ALA A 46 9.460 -3.649 3.945 1.00 0.00 C ATOM 0 H ALA A 46 11.495 -3.821 5.321 1.00 0.00 H new ATOM 0 HA ALA A 46 9.031 -5.121 5.433 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.521 -3.796 3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.353 -2.822 4.647 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.251 -3.419 3.231 1.00 0.00 H new ATOM 701 N LEU A 47 10.904 -6.101 2.881 1.00 0.00 N ATOM 702 CA LEU A 47 11.085 -7.175 1.908 1.00 0.00 C ATOM 703 C LEU A 47 11.687 -8.425 2.549 1.00 0.00 C ATOM 704 O LEU A 47 11.346 -9.547 2.178 1.00 0.00 O ATOM 705 CB LEU A 47 11.990 -6.705 0.760 1.00 0.00 C ATOM 706 CG LEU A 47 11.617 -5.365 0.111 1.00 0.00 C ATOM 707 CD1 LEU A 47 10.109 -5.148 0.118 1.00 0.00 C ATOM 708 CD2 LEU A 47 12.330 -4.218 0.811 1.00 0.00 C ATOM 0 H LEU A 47 11.607 -5.364 2.831 1.00 0.00 H new ATOM 0 HA LEU A 47 10.099 -7.431 1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 47 13.011 -6.632 1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.989 -7.473 -0.014 1.00 0.00 H new ATOM 0 HG LEU A 47 11.943 -5.392 -0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.877 -4.191 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.623 -5.950 -0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.746 -5.148 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.054 -3.275 0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.039 -4.196 1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.408 -4.360 0.736 1.00 0.00 H new ATOM 720 N GLN A 48 12.606 -8.224 3.489 1.00 0.00 N ATOM 721 CA GLN A 48 13.282 -9.336 4.152 1.00 0.00 C ATOM 722 C GLN A 48 12.319 -10.125 5.039 1.00 0.00 C ATOM 723 O GLN A 48 12.486 -11.329 5.234 1.00 0.00 O ATOM 724 CB GLN A 48 14.465 -8.813 4.979 1.00 0.00 C ATOM 725 CG GLN A 48 14.610 -9.463 6.349 1.00 0.00 C ATOM 726 CD GLN A 48 15.991 -9.277 6.945 1.00 0.00 C ATOM 727 OE1 GLN A 48 16.803 -8.504 6.434 1.00 0.00 O ATOM 728 NE2 GLN A 48 16.266 -9.987 8.033 1.00 0.00 N ATOM 0 H GLN A 48 12.900 -7.301 3.809 1.00 0.00 H new ATOM 0 HA GLN A 48 13.654 -10.013 3.383 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.385 -8.971 4.416 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.353 -7.737 5.111 1.00 0.00 H new ATOM 0 HG2 GLN A 48 13.867 -9.041 7.026 1.00 0.00 H new ATOM 0 HG3 GLN A 48 14.396 -10.529 6.265 1.00 0.00 H new ATOM 0 HE21 GLN A 48 15.564 -10.615 8.423 1.00 0.00 H new ATOM 0 HE22 GLN A 48 17.180 -9.904 8.479 1.00 0.00 H new ATOM 737 N ASN A 49 11.328 -9.435 5.591 1.00 0.00 N ATOM 738 CA ASN A 49 10.357 -10.069 6.473 1.00 0.00 C ATOM 739 C ASN A 49 8.937 -9.630 6.126 1.00 0.00 C ATOM 740 O ASN A 49 8.312 -8.861 6.859 1.00 0.00 O ATOM 741 CB ASN A 49 10.679 -9.739 7.935 1.00 0.00 C ATOM 742 CG ASN A 49 9.648 -10.291 8.900 1.00 0.00 C ATOM 743 OD1 ASN A 49 8.899 -9.538 9.525 1.00 0.00 O ATOM 744 ND2 ASN A 49 9.605 -11.611 9.029 1.00 0.00 N ATOM 0 H ASN A 49 11.176 -8.437 5.443 1.00 0.00 H new ATOM 0 HA ASN A 49 10.419 -11.148 6.334 1.00 0.00 H new ATOM 0 HB2 ASN A 49 11.659 -10.143 8.187 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.740 -8.657 8.054 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.933 -12.040 9.665 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.244 -12.197 8.492 1.00 0.00 H new ATOM 751 N MET A 50 8.434 -10.123 4.997 1.00 0.00 N ATOM 752 CA MET A 50 7.087 -9.791 4.548 1.00 0.00 C ATOM 753 C MET A 50 6.056 -10.696 5.211 1.00 0.00 C ATOM 754 O MET A 50 6.285 -11.894 5.383 1.00 0.00 O ATOM 755 CB MET A 50 6.979 -9.917 3.025 1.00 0.00 C ATOM 756 CG MET A 50 8.255 -9.554 2.286 1.00 0.00 C ATOM 757 SD MET A 50 8.822 -10.872 1.196 1.00 0.00 S ATOM 758 CE MET A 50 9.180 -12.156 2.392 1.00 0.00 C ATOM 0 H MET A 50 8.941 -10.754 4.377 1.00 0.00 H new ATOM 0 HA MET A 50 6.885 -8.759 4.835 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.704 -10.941 2.774 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.172 -9.275 2.673 1.00 0.00 H new ATOM 0 HG2 MET A 50 8.087 -8.650 1.700 1.00 0.00 H new ATOM 0 HG3 MET A 50 9.037 -9.324 3.010 1.00 0.00 H new ATOM 0 HE1 MET A 50 9.492 -13.061 1.871 1.00 0.00 H new ATOM 0 HE2 MET A 50 9.980 -11.824 3.054 1.00 0.00 H new ATOM 0 HE3 MET A 50 8.286 -12.366 2.979 1.00 0.00 H new ATOM 768 N LYS A 51 4.916 -10.118 5.577 1.00 0.00 N ATOM 769 CA LYS A 51 3.847 -10.868 6.219 1.00 0.00 C ATOM 770 C LYS A 51 2.830 -11.357 5.185 1.00 0.00 C ATOM 771 O LYS A 51 2.658 -10.735 4.138 1.00 0.00 O ATOM 772 CB LYS A 51 3.161 -9.998 7.270 1.00 0.00 C ATOM 773 CG LYS A 51 2.965 -10.689 8.611 1.00 0.00 C ATOM 774 CD LYS A 51 2.926 -9.688 9.754 1.00 0.00 C ATOM 775 CE LYS A 51 4.323 -9.371 10.264 1.00 0.00 C ATOM 776 NZ LYS A 51 4.886 -8.152 9.620 1.00 0.00 N ATOM 0 H LYS A 51 4.710 -9.129 5.438 1.00 0.00 H new ATOM 0 HA LYS A 51 4.279 -11.741 6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.752 -9.094 7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.189 -9.684 6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.037 -11.260 8.595 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.774 -11.400 8.777 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.443 -8.770 9.419 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.322 -10.087 10.569 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.292 -9.229 11.344 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.980 -10.219 10.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.574 -7.708 10.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.359 -8.415 8.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.118 -7.480 9.417 1.00 0.00 H new ATOM 790 N PRO A 52 2.153 -12.491 5.463 1.00 0.00 N ATOM 791 CA PRO A 52 1.177 -13.092 4.549 1.00 0.00 C ATOM 792 C PRO A 52 0.310 -12.073 3.805 1.00 0.00 C ATOM 793 O PRO A 52 0.597 -11.728 2.660 1.00 0.00 O ATOM 794 CB PRO A 52 0.326 -13.937 5.492 1.00 0.00 C ATOM 795 CG PRO A 52 1.283 -14.398 6.537 1.00 0.00 C ATOM 796 CD PRO A 52 2.317 -13.309 6.683 1.00 0.00 C ATOM 0 HA PRO A 52 1.664 -13.646 3.746 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.486 -13.353 5.926 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.130 -14.779 4.970 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.770 -14.574 7.482 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.750 -15.339 6.247 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.150 -12.719 7.584 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.323 -13.722 6.754 1.00 0.00 H new ATOM 804 N GLY A 53 -0.789 -11.655 4.431 1.00 0.00 N ATOM 805 CA GLY A 53 -1.703 -10.722 3.795 1.00 0.00 C ATOM 806 C GLY A 53 -1.580 -9.311 4.330 1.00 0.00 C ATOM 807 O GLY A 53 -2.548 -8.751 4.845 1.00 0.00 O ATOM 0 H GLY A 53 -1.062 -11.947 5.369 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.516 -10.714 2.721 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.726 -11.070 3.938 1.00 0.00 H new ATOM 811 N GLU A 54 -0.391 -8.739 4.214 1.00 0.00 N ATOM 812 CA GLU A 54 -0.152 -7.381 4.697 1.00 0.00 C ATOM 813 C GLU A 54 -0.415 -6.342 3.612 1.00 0.00 C ATOM 814 O GLU A 54 -0.347 -6.637 2.420 1.00 0.00 O ATOM 815 CB GLU A 54 1.280 -7.236 5.212 1.00 0.00 C ATOM 816 CG GLU A 54 1.385 -7.320 6.724 1.00 0.00 C ATOM 817 CD GLU A 54 0.794 -6.109 7.418 1.00 0.00 C ATOM 818 OE1 GLU A 54 -0.434 -6.097 7.646 1.00 0.00 O ATOM 819 OE2 GLU A 54 1.558 -5.172 7.733 1.00 0.00 O ATOM 0 H GLU A 54 0.422 -9.189 3.792 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.849 -7.203 5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.899 -8.015 4.768 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.684 -6.280 4.879 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.874 -8.218 7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.433 -7.421 7.007 1.00 0.00 H new ATOM 826 N ILE A 55 -0.703 -5.118 4.045 1.00 0.00 N ATOM 827 CA ILE A 55 -0.946 -4.007 3.133 1.00 0.00 C ATOM 828 C ILE A 55 -0.199 -2.766 3.612 1.00 0.00 C ATOM 829 O ILE A 55 -0.441 -2.278 4.716 1.00 0.00 O ATOM 830 CB ILE A 55 -2.448 -3.680 3.019 1.00 0.00 C ATOM 831 CG1 ILE A 55 -3.256 -4.955 2.770 1.00 0.00 C ATOM 832 CG2 ILE A 55 -2.687 -2.672 1.904 1.00 0.00 C ATOM 833 CD1 ILE A 55 -3.909 -5.509 4.016 1.00 0.00 C ATOM 0 H ILE A 55 -0.774 -4.870 5.032 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.584 -4.306 2.149 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.779 -3.241 3.960 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.026 -4.748 2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.600 -5.714 2.345 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.752 -2.451 1.836 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.139 -1.755 2.119 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.341 -3.088 0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.465 -6.412 3.765 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.142 -5.748 4.753 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.591 -4.767 4.430 1.00 0.00 H new ATOM 845 N LEU A 56 0.734 -2.279 2.799 1.00 0.00 N ATOM 846 CA LEU A 56 1.536 -1.123 3.178 1.00 0.00 C ATOM 847 C LEU A 56 1.413 0.006 2.164 1.00 0.00 C ATOM 848 O LEU A 56 0.968 -0.197 1.034 1.00 0.00 O ATOM 849 CB LEU A 56 3.006 -1.524 3.321 1.00 0.00 C ATOM 850 CG LEU A 56 3.494 -1.714 4.759 1.00 0.00 C ATOM 851 CD1 LEU A 56 2.615 -2.711 5.497 1.00 0.00 C ATOM 852 CD2 LEU A 56 4.945 -2.170 4.770 1.00 0.00 C ATOM 0 H LEU A 56 0.951 -2.665 1.880 1.00 0.00 H new ATOM 0 HA LEU A 56 1.158 -0.762 4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.167 -2.453 2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.622 -0.762 2.843 1.00 0.00 H new ATOM 0 HG LEU A 56 3.428 -0.756 5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.979 -2.832 6.517 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.589 -2.345 5.519 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.646 -3.673 4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.278 -2.301 5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.033 -3.117 4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.566 -1.420 4.281 1.00 0.00 H new ATOM 864 N GLU A 57 1.831 1.195 2.580 1.00 0.00 N ATOM 865 CA GLU A 57 1.805 2.370 1.718 1.00 0.00 C ATOM 866 C GLU A 57 3.226 2.841 1.430 1.00 0.00 C ATOM 867 O GLU A 57 4.164 2.466 2.133 1.00 0.00 O ATOM 868 CB GLU A 57 0.999 3.491 2.381 1.00 0.00 C ATOM 869 CG GLU A 57 0.788 4.706 1.492 1.00 0.00 C ATOM 870 CD GLU A 57 -0.043 5.782 2.162 1.00 0.00 C ATOM 871 OE1 GLU A 57 -1.222 5.513 2.475 1.00 0.00 O ATOM 872 OE2 GLU A 57 0.487 6.893 2.378 1.00 0.00 O ATOM 0 H GLU A 57 2.195 1.371 3.516 1.00 0.00 H new ATOM 0 HA GLU A 57 1.327 2.105 0.775 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.027 3.099 2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.510 3.803 3.291 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.757 5.121 1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.298 4.396 0.569 1.00 0.00 H new ATOM 879 N VAL A 58 3.391 3.639 0.379 1.00 0.00 N ATOM 880 CA VAL A 58 4.709 4.146 0.011 1.00 0.00 C ATOM 881 C VAL A 58 4.626 5.582 -0.498 1.00 0.00 C ATOM 882 O VAL A 58 4.058 5.843 -1.557 1.00 0.00 O ATOM 883 CB VAL A 58 5.378 3.269 -1.067 1.00 0.00 C ATOM 884 CG1 VAL A 58 6.816 3.709 -1.297 1.00 0.00 C ATOM 885 CG2 VAL A 58 5.323 1.800 -0.674 1.00 0.00 C ATOM 0 H VAL A 58 2.633 3.947 -0.230 1.00 0.00 H new ATOM 0 HA VAL A 58 5.316 4.117 0.916 1.00 0.00 H new ATOM 0 HB VAL A 58 4.828 3.393 -2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.272 3.079 -2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.830 4.748 -1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.378 3.616 -0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.800 1.198 -1.448 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.846 1.656 0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.283 1.491 -0.564 1.00 0.00 H new ATOM 895 N TRP A 59 5.215 6.505 0.255 1.00 0.00 N ATOM 896 CA TRP A 59 5.217 7.915 -0.123 1.00 0.00 C ATOM 897 C TRP A 59 6.643 8.444 -0.232 1.00 0.00 C ATOM 898 O TRP A 59 7.303 8.686 0.780 1.00 0.00 O ATOM 899 CB TRP A 59 4.433 8.742 0.899 1.00 0.00 C ATOM 900 CG TRP A 59 3.607 9.829 0.281 1.00 0.00 C ATOM 901 CD1 TRP A 59 2.421 9.681 -0.379 1.00 0.00 C ATOM 902 CD2 TRP A 59 3.902 11.231 0.266 1.00 0.00 C ATOM 903 NE1 TRP A 59 1.962 10.904 -0.804 1.00 0.00 N ATOM 904 CE2 TRP A 59 2.852 11.872 -0.420 1.00 0.00 C ATOM 905 CE3 TRP A 59 4.952 12.008 0.767 1.00 0.00 C ATOM 906 CZ2 TRP A 59 2.824 13.250 -0.617 1.00 0.00 C ATOM 907 CZ3 TRP A 59 4.921 13.376 0.570 1.00 0.00 C ATOM 908 CH2 TRP A 59 3.863 13.985 -0.117 1.00 0.00 C ATOM 0 H TRP A 59 5.697 6.303 1.131 1.00 0.00 H new ATOM 0 HA TRP A 59 4.737 8.005 -1.097 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.780 8.079 1.467 1.00 0.00 H new ATOM 0 HB3 TRP A 59 5.132 9.186 1.608 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.917 8.740 -0.543 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.098 11.065 -1.322 1.00 0.00 H new ATOM 0 HE3 TRP A 59 5.772 11.547 1.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 2.010 13.722 -1.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 5.726 13.986 0.952 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.868 15.056 -0.254 1.00 0.00 H new ATOM 919 N ILE A 60 7.125 8.595 -1.465 1.00 0.00 N ATOM 920 CA ILE A 60 8.478 9.091 -1.702 1.00 0.00 C ATOM 921 C ILE A 60 8.609 9.674 -3.104 1.00 0.00 C ATOM 922 O ILE A 60 7.611 9.917 -3.782 1.00 0.00 O ATOM 923 CB ILE A 60 9.541 7.987 -1.518 1.00 0.00 C ATOM 924 CG1 ILE A 60 8.896 6.598 -1.531 1.00 0.00 C ATOM 925 CG2 ILE A 60 10.309 8.208 -0.224 1.00 0.00 C ATOM 926 CD1 ILE A 60 9.897 5.465 -1.617 1.00 0.00 C ATOM 0 H ILE A 60 6.599 8.381 -2.313 1.00 0.00 H new ATOM 0 HA ILE A 60 8.654 9.871 -0.961 1.00 0.00 H new ATOM 0 HB ILE A 60 10.239 8.041 -2.353 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.298 6.476 -0.628 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.212 6.532 -2.377 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.056 7.423 -0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 60 10.805 9.178 -0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.618 8.181 0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.368 4.512 -1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.478 5.562 -2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.566 5.505 -0.757 1.00 0.00 H new ATOM 938 N ASP A 61 9.849 9.894 -3.535 1.00 0.00 N ATOM 939 CA ASP A 61 10.112 10.447 -4.857 1.00 0.00 C ATOM 940 C ASP A 61 10.571 9.359 -5.824 1.00 0.00 C ATOM 941 O ASP A 61 10.799 9.621 -7.005 1.00 0.00 O ATOM 942 CB ASP A 61 11.170 11.549 -4.771 1.00 0.00 C ATOM 943 CG ASP A 61 12.578 10.995 -4.661 1.00 0.00 C ATOM 944 OD1 ASP A 61 12.932 10.481 -3.579 1.00 0.00 O ATOM 945 OD2 ASP A 61 13.326 11.075 -5.658 1.00 0.00 O ATOM 0 H ASP A 61 10.686 9.697 -2.986 1.00 0.00 H new ATOM 0 HA ASP A 61 9.183 10.873 -5.235 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.101 12.184 -5.654 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.963 12.180 -3.907 1.00 0.00 H new ATOM 950 N TYR A 62 10.705 8.137 -5.316 1.00 0.00 N ATOM 951 CA TYR A 62 11.136 7.009 -6.135 1.00 0.00 C ATOM 952 C TYR A 62 10.312 5.761 -5.822 1.00 0.00 C ATOM 953 O TYR A 62 9.873 5.567 -4.689 1.00 0.00 O ATOM 954 CB TYR A 62 12.625 6.726 -5.911 1.00 0.00 C ATOM 955 CG TYR A 62 12.966 6.325 -4.494 1.00 0.00 C ATOM 956 CD1 TYR A 62 13.040 7.273 -3.481 1.00 0.00 C ATOM 957 CD2 TYR A 62 13.220 4.998 -4.170 1.00 0.00 C ATOM 958 CE1 TYR A 62 13.354 6.910 -2.185 1.00 0.00 C ATOM 959 CE2 TYR A 62 13.535 4.627 -2.876 1.00 0.00 C ATOM 960 CZ TYR A 62 13.599 5.587 -1.888 1.00 0.00 C ATOM 961 OH TYR A 62 13.912 5.222 -0.599 1.00 0.00 O ATOM 0 H TYR A 62 10.521 7.903 -4.340 1.00 0.00 H new ATOM 0 HA TYR A 62 10.979 7.271 -7.181 1.00 0.00 H new ATOM 0 HB2 TYR A 62 12.940 5.932 -6.589 1.00 0.00 H new ATOM 0 HB3 TYR A 62 13.197 7.615 -6.174 1.00 0.00 H new ATOM 0 HD1 TYR A 62 12.849 8.311 -3.710 1.00 0.00 H new ATOM 0 HD2 TYR A 62 13.171 4.244 -4.942 1.00 0.00 H new ATOM 0 HE1 TYR A 62 13.407 7.659 -1.409 1.00 0.00 H new ATOM 0 HE2 TYR A 62 13.730 3.591 -2.640 1.00 0.00 H new ATOM 0 HH TYR A 62 14.054 4.253 -0.559 1.00 0.00 H new ATOM 971 N PRO A 63 10.089 4.893 -6.827 1.00 0.00 N ATOM 972 CA PRO A 63 9.305 3.666 -6.652 1.00 0.00 C ATOM 973 C PRO A 63 10.069 2.584 -5.891 1.00 0.00 C ATOM 974 O PRO A 63 10.955 1.932 -6.445 1.00 0.00 O ATOM 975 CB PRO A 63 9.033 3.217 -8.087 1.00 0.00 C ATOM 976 CG PRO A 63 10.183 3.749 -8.871 1.00 0.00 C ATOM 977 CD PRO A 63 10.571 5.047 -8.215 1.00 0.00 C ATOM 0 HA PRO A 63 8.404 3.840 -6.063 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.973 2.131 -8.158 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.086 3.613 -8.454 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.016 3.046 -8.867 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.905 3.907 -9.913 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.649 5.207 -8.250 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.106 5.900 -8.709 1.00 0.00 H new ATOM 985 N MET A 64 9.714 2.394 -4.624 1.00 0.00 N ATOM 986 CA MET A 64 10.353 1.380 -3.791 1.00 0.00 C ATOM 987 C MET A 64 9.995 -0.021 -4.280 1.00 0.00 C ATOM 988 O MET A 64 10.693 -0.996 -3.988 1.00 0.00 O ATOM 989 CB MET A 64 9.924 1.547 -2.331 1.00 0.00 C ATOM 990 CG MET A 64 10.881 0.909 -1.337 1.00 0.00 C ATOM 991 SD MET A 64 12.319 1.941 -0.995 1.00 0.00 S ATOM 992 CE MET A 64 11.845 2.676 0.567 1.00 0.00 C ATOM 0 H MET A 64 8.986 2.930 -4.151 1.00 0.00 H new ATOM 0 HA MET A 64 11.433 1.509 -3.862 1.00 0.00 H new ATOM 0 HB2 MET A 64 9.836 2.610 -2.107 1.00 0.00 H new ATOM 0 HB3 MET A 64 8.934 1.111 -2.200 1.00 0.00 H new ATOM 0 HG2 MET A 64 10.351 0.711 -0.405 1.00 0.00 H new ATOM 0 HG3 MET A 64 11.214 -0.053 -1.726 1.00 0.00 H new ATOM 0 HE1 MET A 64 12.731 2.818 1.186 1.00 0.00 H new ATOM 0 HE2 MET A 64 11.370 3.640 0.386 1.00 0.00 H new ATOM 0 HE3 MET A 64 11.145 2.018 1.081 1.00 0.00 H new ATOM 1002 N SER A 65 8.909 -0.108 -5.040 1.00 0.00 N ATOM 1003 CA SER A 65 8.449 -1.382 -5.575 1.00 0.00 C ATOM 1004 C SER A 65 9.520 -2.035 -6.444 1.00 0.00 C ATOM 1005 O SER A 65 9.395 -3.199 -6.821 1.00 0.00 O ATOM 1006 CB SER A 65 7.167 -1.183 -6.387 1.00 0.00 C ATOM 1007 OG SER A 65 7.458 -0.917 -7.748 1.00 0.00 O ATOM 0 H SER A 65 8.330 0.691 -5.299 1.00 0.00 H new ATOM 0 HA SER A 65 8.242 -2.044 -4.734 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.545 -2.075 -6.313 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.592 -0.357 -5.967 1.00 0.00 H new ATOM 0 HG SER A 65 6.621 -0.796 -8.244 1.00 0.00 H new ATOM 1013 N LYS A 66 10.571 -1.282 -6.761 1.00 0.00 N ATOM 1014 CA LYS A 66 11.661 -1.800 -7.583 1.00 0.00 C ATOM 1015 C LYS A 66 12.261 -3.053 -6.956 1.00 0.00 C ATOM 1016 O LYS A 66 12.503 -4.046 -7.641 1.00 0.00 O ATOM 1017 CB LYS A 66 12.746 -0.736 -7.773 1.00 0.00 C ATOM 1018 CG LYS A 66 13.236 -0.122 -6.471 1.00 0.00 C ATOM 1019 CD LYS A 66 14.750 -0.206 -6.351 1.00 0.00 C ATOM 1020 CE LYS A 66 15.423 1.039 -6.905 1.00 0.00 C ATOM 1021 NZ LYS A 66 16.233 1.741 -5.870 1.00 0.00 N ATOM 0 H LYS A 66 10.690 -0.314 -6.462 1.00 0.00 H new ATOM 0 HA LYS A 66 11.253 -2.061 -8.559 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.592 -1.182 -8.295 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.358 0.056 -8.414 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.923 0.921 -6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.774 -0.636 -5.628 1.00 0.00 H new ATOM 0 HD2 LYS A 66 15.026 -0.335 -5.305 1.00 0.00 H new ATOM 0 HD3 LYS A 66 15.110 -1.084 -6.887 1.00 0.00 H new ATOM 0 HE2 LYS A 66 16.064 0.763 -7.742 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.665 1.718 -7.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.675 2.584 -6.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 15.617 2.027 -5.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.973 1.102 -5.516 1.00 0.00 H new ATOM 1035 N GLU A 67 12.488 -3.005 -5.647 1.00 0.00 N ATOM 1036 CA GLU A 67 13.027 -4.151 -4.924 1.00 0.00 C ATOM 1037 C GLU A 67 11.895 -5.074 -4.489 1.00 0.00 C ATOM 1038 O GLU A 67 12.090 -6.280 -4.306 1.00 0.00 O ATOM 1039 CB GLU A 67 13.825 -3.687 -3.703 1.00 0.00 C ATOM 1040 CG GLU A 67 15.321 -3.589 -3.953 1.00 0.00 C ATOM 1041 CD GLU A 67 15.877 -2.209 -3.663 1.00 0.00 C ATOM 1042 OE1 GLU A 67 15.149 -1.385 -3.070 1.00 0.00 O ATOM 1043 OE2 GLU A 67 17.045 -1.951 -4.027 1.00 0.00 O ATOM 0 H GLU A 67 12.307 -2.186 -5.066 1.00 0.00 H new ATOM 0 HA GLU A 67 13.696 -4.698 -5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.454 -2.712 -3.386 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.648 -4.379 -2.880 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.837 -4.321 -3.332 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.529 -3.848 -4.991 1.00 0.00 H new ATOM 1050 N ARG A 68 10.703 -4.502 -4.351 1.00 0.00 N ATOM 1051 CA ARG A 68 9.533 -5.269 -3.950 1.00 0.00 C ATOM 1052 C ARG A 68 9.211 -6.360 -4.969 1.00 0.00 C ATOM 1053 O ARG A 68 8.868 -7.480 -4.595 1.00 0.00 O ATOM 1054 CB ARG A 68 8.324 -4.346 -3.783 1.00 0.00 C ATOM 1055 CG ARG A 68 8.146 -3.818 -2.369 1.00 0.00 C ATOM 1056 CD ARG A 68 8.987 -2.578 -2.123 1.00 0.00 C ATOM 1057 NE ARG A 68 8.818 -2.061 -0.766 1.00 0.00 N ATOM 1058 CZ ARG A 68 7.706 -1.473 -0.332 1.00 0.00 C ATOM 1059 NH1 ARG A 68 6.667 -1.327 -1.145 1.00 0.00 N ATOM 1060 NH2 ARG A 68 7.633 -1.031 0.916 1.00 0.00 N ATOM 0 H ARG A 68 10.524 -3.511 -4.511 1.00 0.00 H new ATOM 0 HA ARG A 68 9.759 -5.745 -2.996 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.426 -3.502 -4.466 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.423 -4.886 -4.075 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.095 -3.585 -2.197 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.422 -4.593 -1.654 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.038 -2.813 -2.293 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.713 -1.806 -2.842 1.00 0.00 H new ATOM 0 HE ARG A 68 9.597 -2.156 -0.115 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.719 -1.666 -2.106 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.816 -0.876 -0.809 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.429 -1.142 1.544 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.780 -0.580 1.248 1.00 0.00 H new ATOM 1074 N ILE A 69 9.320 -6.028 -6.256 1.00 0.00 N ATOM 1075 CA ILE A 69 9.012 -6.985 -7.319 1.00 0.00 C ATOM 1076 C ILE A 69 9.812 -8.284 -7.163 1.00 0.00 C ATOM 1077 O ILE A 69 9.225 -9.361 -7.080 1.00 0.00 O ATOM 1078 CB ILE A 69 9.254 -6.394 -8.724 1.00 0.00 C ATOM 1079 CG1 ILE A 69 8.432 -5.118 -8.915 1.00 0.00 C ATOM 1080 CG2 ILE A 69 8.904 -7.414 -9.799 1.00 0.00 C ATOM 1081 CD1 ILE A 69 9.098 -4.102 -9.818 1.00 0.00 C ATOM 0 H ILE A 69 9.617 -5.110 -6.586 1.00 0.00 H new ATOM 0 HA ILE A 69 7.950 -7.212 -7.221 1.00 0.00 H new ATOM 0 HB ILE A 69 10.311 -6.144 -8.815 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.459 -5.380 -9.331 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.250 -4.663 -7.941 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.081 -6.980 -10.783 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.526 -8.300 -9.676 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.854 -7.692 -9.708 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.460 -3.223 -9.909 1.00 0.00 H new ATOM 0 HD12 ILE A 69 10.058 -3.811 -9.392 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.256 -4.539 -10.804 1.00 0.00 H new ATOM 1093 N PRO A 70 11.163 -8.213 -7.115 1.00 0.00 N ATOM 1094 CA PRO A 70 12.007 -9.407 -6.974 1.00 0.00 C ATOM 1095 C PRO A 70 11.590 -10.287 -5.799 1.00 0.00 C ATOM 1096 O PRO A 70 11.644 -11.515 -5.883 1.00 0.00 O ATOM 1097 CB PRO A 70 13.404 -8.831 -6.737 1.00 0.00 C ATOM 1098 CG PRO A 70 13.374 -7.495 -7.389 1.00 0.00 C ATOM 1099 CD PRO A 70 11.972 -6.981 -7.212 1.00 0.00 C ATOM 0 HA PRO A 70 11.938 -10.054 -7.849 1.00 0.00 H new ATOM 0 HB2 PRO A 70 13.623 -8.748 -5.673 1.00 0.00 H new ATOM 0 HB3 PRO A 70 14.174 -9.467 -7.172 1.00 0.00 H new ATOM 0 HG2 PRO A 70 14.098 -6.821 -6.931 1.00 0.00 H new ATOM 0 HG3 PRO A 70 13.632 -7.570 -8.445 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.879 -6.368 -6.315 1.00 0.00 H new ATOM 0 HD3 PRO A 70 11.662 -6.362 -8.054 1.00 0.00 H new ATOM 1107 N GLU A 71 11.170 -9.658 -4.707 1.00 0.00 N ATOM 1108 CA GLU A 71 10.762 -10.394 -3.515 1.00 0.00 C ATOM 1109 C GLU A 71 9.422 -11.105 -3.721 1.00 0.00 C ATOM 1110 O GLU A 71 9.348 -12.335 -3.683 1.00 0.00 O ATOM 1111 CB GLU A 71 10.670 -9.450 -2.317 1.00 0.00 C ATOM 1112 CG GLU A 71 11.939 -9.408 -1.482 1.00 0.00 C ATOM 1113 CD GLU A 71 13.094 -8.744 -2.206 1.00 0.00 C ATOM 1114 OE1 GLU A 71 13.820 -9.450 -2.936 1.00 0.00 O ATOM 1115 OE2 GLU A 71 13.272 -7.519 -2.041 1.00 0.00 O ATOM 0 H GLU A 71 11.103 -8.644 -4.622 1.00 0.00 H new ATOM 0 HA GLU A 71 11.519 -11.154 -3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.445 -8.445 -2.673 1.00 0.00 H new ATOM 0 HB3 GLU A 71 9.838 -9.758 -1.684 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.741 -8.872 -0.554 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.223 -10.424 -1.209 1.00 0.00 H new ATOM 1122 N THR A 72 8.364 -10.323 -3.919 1.00 0.00 N ATOM 1123 CA THR A 72 7.026 -10.880 -4.096 1.00 0.00 C ATOM 1124 C THR A 72 6.984 -11.883 -5.244 1.00 0.00 C ATOM 1125 O THR A 72 6.193 -12.822 -5.221 1.00 0.00 O ATOM 1126 CB THR A 72 6.004 -9.771 -4.345 1.00 0.00 C ATOM 1127 OG1 THR A 72 6.595 -8.495 -4.185 1.00 0.00 O ATOM 1128 CG2 THR A 72 4.809 -9.841 -3.421 1.00 0.00 C ATOM 0 H THR A 72 8.407 -9.305 -3.961 1.00 0.00 H new ATOM 0 HA THR A 72 6.770 -11.402 -3.174 1.00 0.00 H new ATOM 0 HB THR A 72 5.662 -9.921 -5.369 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.349 -8.404 -4.804 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.123 -9.026 -3.651 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.299 -10.794 -3.558 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.143 -9.753 -2.387 1.00 0.00 H new ATOM 1136 N VAL A 73 7.829 -11.677 -6.251 1.00 0.00 N ATOM 1137 CA VAL A 73 7.863 -12.576 -7.399 1.00 0.00 C ATOM 1138 C VAL A 73 8.518 -13.902 -7.032 1.00 0.00 C ATOM 1139 O VAL A 73 8.184 -14.944 -7.596 1.00 0.00 O ATOM 1140 CB VAL A 73 8.590 -11.953 -8.606 1.00 0.00 C ATOM 1141 CG1 VAL A 73 10.095 -11.936 -8.388 1.00 0.00 C ATOM 1142 CG2 VAL A 73 8.240 -12.703 -9.883 1.00 0.00 C ATOM 0 H VAL A 73 8.493 -10.904 -6.295 1.00 0.00 H new ATOM 0 HA VAL A 73 6.827 -12.754 -7.687 1.00 0.00 H new ATOM 0 HB VAL A 73 8.255 -10.921 -8.708 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.583 -11.491 -9.255 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.327 -11.349 -7.500 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.455 -12.956 -8.253 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.762 -12.250 -10.726 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.542 -13.746 -9.787 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.164 -12.651 -10.052 1.00 0.00 H new ATOM 1152 N LYS A 74 9.431 -13.861 -6.065 1.00 0.00 N ATOM 1153 CA LYS A 74 10.081 -15.075 -5.593 1.00 0.00 C ATOM 1154 C LYS A 74 9.023 -16.040 -5.082 1.00 0.00 C ATOM 1155 O LYS A 74 9.057 -17.236 -5.371 1.00 0.00 O ATOM 1156 CB LYS A 74 11.084 -14.755 -4.483 1.00 0.00 C ATOM 1157 CG LYS A 74 11.937 -15.945 -4.074 1.00 0.00 C ATOM 1158 CD LYS A 74 13.364 -15.809 -4.581 1.00 0.00 C ATOM 1159 CE LYS A 74 14.321 -16.692 -3.798 1.00 0.00 C ATOM 1160 NZ LYS A 74 14.247 -18.115 -4.232 1.00 0.00 N ATOM 0 H LYS A 74 9.734 -13.006 -5.598 1.00 0.00 H new ATOM 0 HA LYS A 74 10.626 -15.532 -6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 74 11.737 -13.948 -4.816 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.543 -14.389 -3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.943 -16.033 -2.988 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.496 -16.862 -4.466 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.403 -16.076 -5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.681 -14.769 -4.503 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.340 -16.326 -3.926 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.090 -16.624 -2.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.915 -18.684 -3.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.281 -18.473 -4.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.493 -18.184 -5.240 1.00 0.00 H new ATOM 1174 N LYS A 75 8.054 -15.490 -4.356 1.00 0.00 N ATOM 1175 CA LYS A 75 6.938 -16.274 -3.847 1.00 0.00 C ATOM 1176 C LYS A 75 5.789 -16.273 -4.854 1.00 0.00 C ATOM 1177 O LYS A 75 5.569 -17.255 -5.563 1.00 0.00 O ATOM 1178 CB LYS A 75 6.461 -15.713 -2.506 1.00 0.00 C ATOM 1179 CG LYS A 75 7.577 -15.532 -1.488 1.00 0.00 C ATOM 1180 CD LYS A 75 7.728 -14.077 -1.071 1.00 0.00 C ATOM 1181 CE LYS A 75 6.547 -13.608 -0.236 1.00 0.00 C ATOM 1182 NZ LYS A 75 6.656 -14.058 1.179 1.00 0.00 N ATOM 0 H LYS A 75 8.021 -14.501 -4.108 1.00 0.00 H new ATOM 0 HA LYS A 75 7.275 -17.300 -3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.977 -14.751 -2.676 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.707 -16.381 -2.090 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.370 -16.143 -0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.516 -15.889 -1.911 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.649 -13.955 -0.500 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.818 -13.451 -1.959 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.489 -12.520 -0.268 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.622 -13.989 -0.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.218 -13.350 1.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.167 -14.969 1.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.659 -14.169 1.432 1.00 0.00 H new ATOM 1196 N LEU A 76 5.049 -15.169 -4.893 1.00 0.00 N ATOM 1197 CA LEU A 76 3.940 -15.014 -5.831 1.00 0.00 C ATOM 1198 C LEU A 76 4.371 -14.199 -7.051 1.00 0.00 C ATOM 1199 O LEU A 76 4.982 -14.730 -7.979 1.00 0.00 O ATOM 1200 CB LEU A 76 2.738 -14.348 -5.150 1.00 0.00 C ATOM 1201 CG LEU A 76 3.081 -13.367 -4.026 1.00 0.00 C ATOM 1202 CD1 LEU A 76 2.294 -12.075 -4.189 1.00 0.00 C ATOM 1203 CD2 LEU A 76 2.805 -13.996 -2.669 1.00 0.00 C ATOM 0 H LEU A 76 5.198 -14.365 -4.283 1.00 0.00 H new ATOM 0 HA LEU A 76 3.643 -16.008 -6.164 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.160 -13.819 -5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.093 -15.128 -4.745 1.00 0.00 H new ATOM 0 HG LEU A 76 4.143 -13.131 -4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.550 -11.389 -3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.541 -11.617 -5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.226 -12.293 -4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.054 -13.285 -1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.750 -14.261 -2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.413 -14.893 -2.554 1.00 0.00 H new ATOM 1215 N GLY A 77 4.048 -12.907 -7.038 1.00 0.00 N ATOM 1216 CA GLY A 77 4.414 -12.032 -8.135 1.00 0.00 C ATOM 1217 C GLY A 77 4.746 -10.628 -7.664 1.00 0.00 C ATOM 1218 O GLY A 77 5.916 -10.267 -7.544 1.00 0.00 O ATOM 0 H GLY A 77 3.537 -12.451 -6.282 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.273 -12.450 -8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.594 -11.988 -8.852 1.00 0.00 H new ATOM 1222 N HIS A 78 3.713 -9.830 -7.408 1.00 0.00 N ATOM 1223 CA HIS A 78 3.902 -8.462 -6.939 1.00 0.00 C ATOM 1224 C HIS A 78 2.795 -8.058 -5.970 1.00 0.00 C ATOM 1225 O HIS A 78 1.706 -8.631 -5.983 1.00 0.00 O ATOM 1226 CB HIS A 78 3.935 -7.488 -8.121 1.00 0.00 C ATOM 1227 CG HIS A 78 3.314 -8.030 -9.370 1.00 0.00 C ATOM 1228 ND1 HIS A 78 1.983 -8.368 -9.420 1.00 0.00 N ATOM 1229 CD2 HIS A 78 3.878 -8.271 -10.578 1.00 0.00 C ATOM 1230 CE1 HIS A 78 1.766 -8.804 -10.648 1.00 0.00 C ATOM 1231 NE2 HIS A 78 2.885 -8.763 -11.384 1.00 0.00 N ATOM 0 H HIS A 78 2.738 -10.107 -7.518 1.00 0.00 H new ATOM 0 HA HIS A 78 4.857 -8.419 -6.415 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.418 -6.571 -7.838 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.971 -7.219 -8.329 1.00 0.00 H new ATOM 0 HD2 HIS A 78 4.910 -8.107 -10.852 1.00 0.00 H new ATOM 0 HE1 HIS A 78 0.810 -9.149 -11.012 1.00 0.00 H new ATOM 0 HE2 HIS A 78 2.980 -9.045 -12.360 1.00 0.00 H new ATOM 1239 N GLU A 79 3.082 -7.064 -5.135 1.00 0.00 N ATOM 1240 CA GLU A 79 2.113 -6.553 -4.191 1.00 0.00 C ATOM 1241 C GLU A 79 1.524 -5.260 -4.731 1.00 0.00 C ATOM 1242 O GLU A 79 1.587 -4.218 -4.090 1.00 0.00 O ATOM 1243 CB GLU A 79 2.780 -6.314 -2.834 1.00 0.00 C ATOM 1244 CG GLU A 79 4.295 -6.447 -2.859 1.00 0.00 C ATOM 1245 CD GLU A 79 4.874 -6.800 -1.503 1.00 0.00 C ATOM 1246 OE1 GLU A 79 4.516 -7.868 -0.965 1.00 0.00 O ATOM 1247 OE2 GLU A 79 5.686 -6.008 -0.979 1.00 0.00 O ATOM 0 H GLU A 79 3.988 -6.598 -5.099 1.00 0.00 H new ATOM 0 HA GLU A 79 1.313 -7.281 -4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.519 -5.316 -2.483 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.375 -7.022 -2.111 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.576 -7.214 -3.580 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.732 -5.510 -3.203 1.00 0.00 H new ATOM 1254 N VAL A 80 0.972 -5.332 -5.934 1.00 0.00 N ATOM 1255 CA VAL A 80 0.430 -4.153 -6.594 1.00 0.00 C ATOM 1256 C VAL A 80 -1.081 -4.066 -6.417 1.00 0.00 C ATOM 1257 O VAL A 80 -1.816 -4.984 -6.781 1.00 0.00 O ATOM 1258 CB VAL A 80 0.778 -4.154 -8.099 1.00 0.00 C ATOM 1259 CG1 VAL A 80 0.557 -5.536 -8.699 1.00 0.00 C ATOM 1260 CG2 VAL A 80 -0.029 -3.102 -8.848 1.00 0.00 C ATOM 0 H VAL A 80 0.888 -6.194 -6.473 1.00 0.00 H new ATOM 0 HA VAL A 80 0.886 -3.281 -6.125 1.00 0.00 H new ATOM 0 HB VAL A 80 1.833 -3.901 -8.203 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.807 -5.516 -9.760 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.193 -6.260 -8.189 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.488 -5.822 -8.578 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.236 -3.125 -9.905 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.093 -3.312 -8.736 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.191 -2.116 -8.440 1.00 0.00 H new ATOM 1270 N LEU A 81 -1.533 -2.944 -5.863 1.00 0.00 N ATOM 1271 CA LEU A 81 -2.952 -2.726 -5.627 1.00 0.00 C ATOM 1272 C LEU A 81 -3.382 -1.341 -6.096 1.00 0.00 C ATOM 1273 O LEU A 81 -4.491 -1.168 -6.601 1.00 0.00 O ATOM 1274 CB LEU A 81 -3.282 -2.903 -4.141 1.00 0.00 C ATOM 1275 CG LEU A 81 -2.942 -1.705 -3.250 1.00 0.00 C ATOM 1276 CD1 LEU A 81 -4.209 -0.974 -2.832 1.00 0.00 C ATOM 1277 CD2 LEU A 81 -2.154 -2.152 -2.029 1.00 0.00 C ATOM 0 H LEU A 81 -0.934 -2.172 -5.570 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.503 -3.468 -6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.347 -3.116 -4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.747 -3.776 -3.768 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.322 -1.016 -3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.948 -0.126 -2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.733 -0.617 -3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.856 -1.654 -2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.922 -1.286 -1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.747 -2.863 -1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.227 -2.628 -2.349 1.00 0.00 H new ATOM 1289 N GLU A 82 -2.505 -0.358 -5.926 1.00 0.00 N ATOM 1290 CA GLU A 82 -2.821 1.010 -6.336 1.00 0.00 C ATOM 1291 C GLU A 82 -1.562 1.809 -6.666 1.00 0.00 C ATOM 1292 O GLU A 82 -0.517 1.631 -6.042 1.00 0.00 O ATOM 1293 CB GLU A 82 -3.627 1.712 -5.243 1.00 0.00 C ATOM 1294 CG GLU A 82 -3.587 3.230 -5.319 1.00 0.00 C ATOM 1295 CD GLU A 82 -4.946 3.863 -5.092 1.00 0.00 C ATOM 1296 OE1 GLU A 82 -5.821 3.722 -5.973 1.00 0.00 O ATOM 1297 OE2 GLU A 82 -5.135 4.502 -4.036 1.00 0.00 O ATOM 0 H GLU A 82 -1.580 -0.477 -5.513 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.420 0.955 -7.245 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.664 1.383 -5.304 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.250 1.398 -4.270 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.886 3.609 -4.575 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.209 3.531 -6.296 1.00 0.00 H new ATOM 1304 N ILE A 83 -1.679 2.698 -7.651 1.00 0.00 N ATOM 1305 CA ILE A 83 -0.570 3.557 -8.060 1.00 0.00 C ATOM 1306 C ILE A 83 -1.081 4.949 -8.425 1.00 0.00 C ATOM 1307 O ILE A 83 -2.098 5.084 -9.104 1.00 0.00 O ATOM 1308 CB ILE A 83 0.193 2.969 -9.267 1.00 0.00 C ATOM 1309 CG1 ILE A 83 0.634 1.532 -8.979 1.00 0.00 C ATOM 1310 CG2 ILE A 83 1.397 3.837 -9.606 1.00 0.00 C ATOM 1311 CD1 ILE A 83 -0.157 0.493 -9.744 1.00 0.00 C ATOM 0 H ILE A 83 -2.537 2.842 -8.183 1.00 0.00 H new ATOM 0 HA ILE A 83 0.115 3.622 -7.214 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.479 2.955 -10.125 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.690 1.428 -9.227 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.537 1.338 -7.911 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.925 3.410 -10.459 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.061 4.844 -9.854 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.068 3.879 -8.748 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.209 -0.502 -9.491 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.211 0.570 -9.478 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.039 0.662 -10.814 1.00 0.00 H new ATOM 1323 N GLU A 84 -0.378 5.982 -7.965 1.00 0.00 N ATOM 1324 CA GLU A 84 -0.780 7.359 -8.240 1.00 0.00 C ATOM 1325 C GLU A 84 0.397 8.317 -8.117 1.00 0.00 C ATOM 1326 O GLU A 84 1.514 7.912 -7.796 1.00 0.00 O ATOM 1327 CB GLU A 84 -1.895 7.783 -7.281 1.00 0.00 C ATOM 1328 CG GLU A 84 -1.550 7.575 -5.816 1.00 0.00 C ATOM 1329 CD GLU A 84 -2.731 7.081 -5.005 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -3.813 7.698 -5.094 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -2.575 6.076 -4.280 1.00 0.00 O ATOM 0 H GLU A 84 0.468 5.892 -7.403 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.146 7.401 -9.266 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.123 8.836 -7.446 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.798 7.220 -7.516 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.734 6.857 -5.737 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.191 8.514 -5.394 1.00 0.00 H new ATOM 1338 N GLU A 85 0.130 9.594 -8.370 1.00 0.00 N ATOM 1339 CA GLU A 85 1.160 10.624 -8.296 1.00 0.00 C ATOM 1340 C GLU A 85 0.657 11.841 -7.524 1.00 0.00 C ATOM 1341 O GLU A 85 -0.541 11.980 -7.277 1.00 0.00 O ATOM 1342 CB GLU A 85 1.591 11.042 -9.704 1.00 0.00 C ATOM 1343 CG GLU A 85 0.522 11.804 -10.470 1.00 0.00 C ATOM 1344 CD GLU A 85 0.361 11.308 -11.894 1.00 0.00 C ATOM 1345 OE1 GLU A 85 0.194 10.084 -12.082 1.00 0.00 O ATOM 1346 OE2 GLU A 85 0.404 12.143 -12.822 1.00 0.00 O ATOM 0 H GLU A 85 -0.794 9.941 -8.629 1.00 0.00 H new ATOM 0 HA GLU A 85 2.018 10.210 -7.767 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.485 11.662 -9.632 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.865 10.152 -10.270 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.430 11.712 -9.947 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.776 12.864 -10.485 1.00 0.00 H new ATOM 1353 N VAL A 86 1.581 12.720 -7.143 1.00 0.00 N ATOM 1354 CA VAL A 86 1.229 13.924 -6.399 1.00 0.00 C ATOM 1355 C VAL A 86 1.793 15.172 -7.073 1.00 0.00 C ATOM 1356 O VAL A 86 1.042 16.032 -7.534 1.00 0.00 O ATOM 1357 CB VAL A 86 1.741 13.867 -4.947 1.00 0.00 C ATOM 1358 CG1 VAL A 86 0.949 14.819 -4.063 1.00 0.00 C ATOM 1359 CG2 VAL A 86 1.673 12.446 -4.407 1.00 0.00 C ATOM 0 H VAL A 86 2.577 12.620 -7.337 1.00 0.00 H new ATOM 0 HA VAL A 86 0.140 13.976 -6.388 1.00 0.00 H new ATOM 0 HB VAL A 86 2.784 14.182 -4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.325 14.765 -3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.058 15.837 -4.436 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.104 14.538 -4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.039 12.429 -3.381 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.641 12.097 -4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.290 11.793 -5.023 1.00 0.00 H new ATOM 1369 N GLY A 87 3.119 15.265 -7.123 1.00 0.00 N ATOM 1370 CA GLY A 87 3.759 16.418 -7.731 1.00 0.00 C ATOM 1371 C GLY A 87 4.736 16.038 -8.831 1.00 0.00 C ATOM 1372 O GLY A 87 4.522 15.053 -9.538 1.00 0.00 O ATOM 0 H GLY A 87 3.761 14.563 -6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.995 17.077 -8.142 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.286 16.982 -6.962 1.00 0.00 H new ATOM 1376 N PRO A 88 5.825 16.811 -9.003 1.00 0.00 N ATOM 1377 CA PRO A 88 6.827 16.551 -10.043 1.00 0.00 C ATOM 1378 C PRO A 88 7.497 15.189 -9.885 1.00 0.00 C ATOM 1379 O PRO A 88 7.179 14.244 -10.609 1.00 0.00 O ATOM 1380 CB PRO A 88 7.852 17.678 -9.854 1.00 0.00 C ATOM 1381 CG PRO A 88 7.128 18.736 -9.094 1.00 0.00 C ATOM 1382 CD PRO A 88 6.155 18.011 -8.212 1.00 0.00 C ATOM 0 HA PRO A 88 6.377 16.531 -11.036 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.727 17.328 -9.306 1.00 0.00 H new ATOM 0 HB3 PRO A 88 8.206 18.054 -10.814 1.00 0.00 H new ATOM 0 HG2 PRO A 88 7.820 19.336 -8.503 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.611 19.418 -9.769 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.597 17.752 -7.250 1.00 0.00 H new ATOM 0 HD3 PRO A 88 5.271 18.614 -8.004 1.00 0.00 H new ATOM 1390 N SER A 89 8.432 15.095 -8.943 1.00 0.00 N ATOM 1391 CA SER A 89 9.159 13.851 -8.712 1.00 0.00 C ATOM 1392 C SER A 89 8.597 13.092 -7.517 1.00 0.00 C ATOM 1393 O SER A 89 9.065 12.002 -7.189 1.00 0.00 O ATOM 1394 CB SER A 89 10.646 14.141 -8.494 1.00 0.00 C ATOM 1395 OG SER A 89 10.875 15.527 -8.313 1.00 0.00 O ATOM 0 H SER A 89 8.703 15.863 -8.329 1.00 0.00 H new ATOM 0 HA SER A 89 9.039 13.225 -9.597 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.002 13.594 -7.621 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.219 13.784 -9.350 1.00 0.00 H new ATOM 0 HG SER A 89 11.832 15.685 -8.174 1.00 0.00 H new ATOM 1401 N GLU A 90 7.595 13.672 -6.870 1.00 0.00 N ATOM 1402 CA GLU A 90 6.962 13.041 -5.716 1.00 0.00 C ATOM 1403 C GLU A 90 5.747 12.226 -6.145 1.00 0.00 C ATOM 1404 O GLU A 90 4.804 12.763 -6.729 1.00 0.00 O ATOM 1405 CB GLU A 90 6.549 14.096 -4.685 1.00 0.00 C ATOM 1406 CG GLU A 90 6.045 15.391 -5.302 1.00 0.00 C ATOM 1407 CD GLU A 90 6.563 16.621 -4.580 1.00 0.00 C ATOM 1408 OE1 GLU A 90 7.704 16.577 -4.075 1.00 0.00 O ATOM 1409 OE2 GLU A 90 5.827 17.628 -4.522 1.00 0.00 O ATOM 0 H GLU A 90 7.202 14.578 -7.123 1.00 0.00 H new ATOM 0 HA GLU A 90 7.688 12.369 -5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.769 13.681 -4.046 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.402 14.318 -4.044 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.349 15.433 -6.348 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.955 15.397 -5.286 1.00 0.00 H new ATOM 1416 N TRP A 91 5.777 10.926 -5.864 1.00 0.00 N ATOM 1417 CA TRP A 91 4.680 10.040 -6.237 1.00 0.00 C ATOM 1418 C TRP A 91 4.235 9.185 -5.054 1.00 0.00 C ATOM 1419 O TRP A 91 4.934 9.090 -4.043 1.00 0.00 O ATOM 1420 CB TRP A 91 5.099 9.139 -7.402 1.00 0.00 C ATOM 1421 CG TRP A 91 5.606 9.895 -8.593 1.00 0.00 C ATOM 1422 CD1 TRP A 91 5.014 10.967 -9.199 1.00 0.00 C ATOM 1423 CD2 TRP A 91 6.804 9.628 -9.331 1.00 0.00 C ATOM 1424 NE1 TRP A 91 5.775 11.385 -10.265 1.00 0.00 N ATOM 1425 CE2 TRP A 91 6.878 10.579 -10.366 1.00 0.00 C ATOM 1426 CE3 TRP A 91 7.823 8.677 -9.215 1.00 0.00 C ATOM 1427 CZ2 TRP A 91 7.930 10.607 -11.278 1.00 0.00 C ATOM 1428 CZ3 TRP A 91 8.867 8.706 -10.121 1.00 0.00 C ATOM 1429 CH2 TRP A 91 8.914 9.665 -11.141 1.00 0.00 C ATOM 0 H TRP A 91 6.547 10.464 -5.380 1.00 0.00 H new ATOM 0 HA TRP A 91 3.839 10.660 -6.547 1.00 0.00 H new ATOM 0 HB2 TRP A 91 5.875 8.454 -7.060 1.00 0.00 H new ATOM 0 HB3 TRP A 91 4.247 8.530 -7.704 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.085 11.420 -8.886 1.00 0.00 H new ATOM 0 HE1 TRP A 91 5.554 12.168 -10.880 1.00 0.00 H new ATOM 0 HE3 TRP A 91 7.795 7.934 -8.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 7.968 11.345 -12.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 9.660 7.977 -10.041 1.00 0.00 H new ATOM 0 HH2 TRP A 91 9.743 9.661 -11.833 1.00 0.00 H new ATOM 1440 N LYS A 92 3.070 8.557 -5.194 1.00 0.00 N ATOM 1441 CA LYS A 92 2.527 7.703 -4.146 1.00 0.00 C ATOM 1442 C LYS A 92 2.178 6.327 -4.702 1.00 0.00 C ATOM 1443 O LYS A 92 1.494 6.213 -5.718 1.00 0.00 O ATOM 1444 CB LYS A 92 1.286 8.350 -3.528 1.00 0.00 C ATOM 1445 CG LYS A 92 0.582 7.468 -2.512 1.00 0.00 C ATOM 1446 CD LYS A 92 -0.636 8.162 -1.922 1.00 0.00 C ATOM 1447 CE LYS A 92 -0.775 7.876 -0.436 1.00 0.00 C ATOM 1448 NZ LYS A 92 -2.131 8.219 0.071 1.00 0.00 N ATOM 0 H LYS A 92 2.484 8.625 -6.026 1.00 0.00 H new ATOM 0 HA LYS A 92 3.286 7.582 -3.373 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.575 9.284 -3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.585 8.604 -4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.277 6.536 -2.987 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.276 7.206 -1.713 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.556 9.237 -2.081 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.534 7.829 -2.443 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.574 6.821 -0.249 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.027 8.446 0.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -2.046 8.722 0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.616 8.828 -0.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.681 7.347 0.209 1.00 0.00 H new ATOM 1462 N ILE A 93 2.648 5.284 -4.026 1.00 0.00 N ATOM 1463 CA ILE A 93 2.397 3.915 -4.459 1.00 0.00 C ATOM 1464 C ILE A 93 1.772 3.086 -3.341 1.00 0.00 C ATOM 1465 O ILE A 93 2.030 3.322 -2.160 1.00 0.00 O ATOM 1466 CB ILE A 93 3.695 3.227 -4.928 1.00 0.00 C ATOM 1467 CG1 ILE A 93 4.514 4.172 -5.811 1.00 0.00 C ATOM 1468 CG2 ILE A 93 3.376 1.943 -5.679 1.00 0.00 C ATOM 1469 CD1 ILE A 93 5.601 4.912 -5.061 1.00 0.00 C ATOM 0 H ILE A 93 3.205 5.361 -3.175 1.00 0.00 H new ATOM 0 HA ILE A 93 1.701 3.973 -5.295 1.00 0.00 H new ATOM 0 HB ILE A 93 4.288 2.975 -4.049 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.968 3.599 -6.619 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.844 4.897 -6.272 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.304 1.471 -6.003 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.832 1.263 -5.023 1.00 0.00 H new ATOM 0 HG23 ILE A 93 2.763 2.174 -6.550 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.140 5.563 -5.750 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.153 5.513 -4.270 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.294 4.194 -4.623 1.00 0.00 H new ATOM 1481 N TYR A 94 0.955 2.111 -3.725 1.00 0.00 N ATOM 1482 CA TYR A 94 0.307 1.224 -2.765 1.00 0.00 C ATOM 1483 C TYR A 94 0.740 -0.218 -3.005 1.00 0.00 C ATOM 1484 O TYR A 94 0.615 -0.736 -4.120 1.00 0.00 O ATOM 1485 CB TYR A 94 -1.214 1.337 -2.868 1.00 0.00 C ATOM 1486 CG TYR A 94 -1.804 2.427 -2.000 1.00 0.00 C ATOM 1487 CD1 TYR A 94 -1.540 3.767 -2.257 1.00 0.00 C ATOM 1488 CD2 TYR A 94 -2.632 2.117 -0.928 1.00 0.00 C ATOM 1489 CE1 TYR A 94 -2.079 4.765 -1.468 1.00 0.00 C ATOM 1490 CE2 TYR A 94 -3.175 3.109 -0.136 1.00 0.00 C ATOM 1491 CZ TYR A 94 -2.895 4.432 -0.410 1.00 0.00 C ATOM 1492 OH TYR A 94 -3.434 5.423 0.377 1.00 0.00 O ATOM 0 H TYR A 94 0.725 1.914 -4.699 1.00 0.00 H new ATOM 0 HA TYR A 94 0.610 1.524 -1.762 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.486 1.525 -3.907 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.660 0.382 -2.590 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.903 4.033 -3.087 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.855 1.083 -0.711 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -1.861 5.801 -1.680 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.816 2.851 0.694 1.00 0.00 H new ATOM 0 HH TYR A 94 -2.839 5.598 1.136 1.00 0.00 H new ATOM 1502 N ILE A 95 1.202 -0.871 -1.940 1.00 0.00 N ATOM 1503 CA ILE A 95 1.698 -2.240 -2.027 1.00 0.00 C ATOM 1504 C ILE A 95 0.955 -3.142 -1.044 1.00 0.00 C ATOM 1505 O ILE A 95 0.465 -2.671 -0.017 1.00 0.00 O ATOM 1506 CB ILE A 95 3.222 -2.285 -1.746 1.00 0.00 C ATOM 1507 CG1 ILE A 95 3.949 -3.065 -2.842 1.00 0.00 C ATOM 1508 CG2 ILE A 95 3.520 -2.890 -0.379 1.00 0.00 C ATOM 1509 CD1 ILE A 95 4.029 -2.329 -4.161 1.00 0.00 C ATOM 0 H ILE A 95 1.242 -0.470 -1.003 1.00 0.00 H new ATOM 0 HA ILE A 95 1.519 -2.605 -3.039 1.00 0.00 H new ATOM 0 HB ILE A 95 3.587 -1.258 -1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.959 -3.295 -2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.440 -4.016 -2.997 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.598 -2.906 -0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.044 -2.290 0.396 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.132 -3.908 -0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.558 -2.944 -4.889 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.022 -2.122 -4.524 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.565 -1.390 -4.022 1.00 0.00 H new ATOM 1521 N LYS A 96 0.812 -4.423 -1.386 1.00 0.00 N ATOM 1522 CA LYS A 96 0.084 -5.347 -0.517 1.00 0.00 C ATOM 1523 C LYS A 96 0.588 -6.781 -0.652 1.00 0.00 C ATOM 1524 O LYS A 96 0.352 -7.442 -1.664 1.00 0.00 O ATOM 1525 CB LYS A 96 -1.419 -5.272 -0.822 1.00 0.00 C ATOM 1526 CG LYS A 96 -2.196 -6.533 -0.474 1.00 0.00 C ATOM 1527 CD LYS A 96 -2.687 -7.243 -1.724 1.00 0.00 C ATOM 1528 CE LYS A 96 -4.149 -7.643 -1.604 1.00 0.00 C ATOM 1529 NZ LYS A 96 -4.311 -8.968 -0.943 1.00 0.00 N ATOM 0 H LYS A 96 1.182 -4.838 -2.241 1.00 0.00 H new ATOM 0 HA LYS A 96 0.261 -5.044 0.515 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.847 -4.433 -0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.552 -5.060 -1.883 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.562 -7.206 0.103 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.046 -6.276 0.158 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -2.558 -6.591 -2.588 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.080 -8.131 -1.901 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -4.687 -6.885 -1.034 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -4.599 -7.675 -2.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.281 -9.313 -1.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -3.637 -9.645 -1.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -4.128 -8.872 0.076 1.00 0.00 H new ATOM 1543 N VAL A 97 1.260 -7.264 0.388 1.00 0.00 N ATOM 1544 CA VAL A 97 1.760 -8.633 0.401 1.00 0.00 C ATOM 1545 C VAL A 97 0.598 -9.620 0.372 1.00 0.00 C ATOM 1546 O VAL A 97 -0.169 -9.713 1.332 1.00 0.00 O ATOM 1547 CB VAL A 97 2.628 -8.916 1.644 1.00 0.00 C ATOM 1548 CG1 VAL A 97 3.572 -10.081 1.385 1.00 0.00 C ATOM 1549 CG2 VAL A 97 3.405 -7.675 2.057 1.00 0.00 C ATOM 0 H VAL A 97 1.470 -6.729 1.231 1.00 0.00 H new ATOM 0 HA VAL A 97 2.379 -8.757 -0.487 1.00 0.00 H new ATOM 0 HB VAL A 97 1.965 -9.188 2.466 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.176 -10.265 2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.992 -10.973 1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 97 4.225 -9.840 0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.009 -7.900 2.936 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.055 -7.364 1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.708 -6.871 2.292 1.00 0.00 H new ATOM 1559 N LYS A 98 0.458 -10.328 -0.744 1.00 0.00 N ATOM 1560 CA LYS A 98 -0.623 -11.294 -0.910 1.00 0.00 C ATOM 1561 C LYS A 98 -0.379 -12.541 -0.067 1.00 0.00 C ATOM 1562 O LYS A 98 -1.226 -12.842 0.799 1.00 0.00 O ATOM 1563 CB LYS A 98 -0.761 -11.682 -2.384 1.00 0.00 C ATOM 1564 CG LYS A 98 -1.368 -10.587 -3.248 1.00 0.00 C ATOM 1565 CD LYS A 98 -2.703 -11.018 -3.835 1.00 0.00 C ATOM 1566 CE LYS A 98 -3.111 -10.135 -5.003 1.00 0.00 C ATOM 1567 NZ LYS A 98 -4.381 -10.596 -5.628 1.00 0.00 N ATOM 1568 OXT LYS A 98 0.655 -13.208 -0.284 1.00 0.00 O ATOM 0 H LYS A 98 1.081 -10.251 -1.548 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.548 -10.827 -0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.223 -11.940 -2.777 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.379 -12.577 -2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.506 -9.685 -2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.679 -10.334 -4.054 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.638 -12.054 -4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.471 -10.978 -3.062 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.228 -9.108 -4.658 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.318 -10.132 -5.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.626 -9.968 -6.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.262 -11.568 -5.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.144 -10.575 -4.921 1.00 0.00 H new