USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 661 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 24 ASN : amide:sc= -3.38 X(o=-5.4,f=-5.1) USER MOD Set 1.2: A 102 ASN : amide:sc= -2.02 K(o=-5.4,f=-9.9!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -3.31 K(o=-3.3,f=-5.5!) USER MOD Single : A 38 THR OG1 : rot 100:sc= 0.478 USER MOD Single : A 40 THR OG1 : rot 150:sc= 0 USER MOD Single : A 41 THR OG1 : rot -151:sc= -0.694 USER MOD Single : A 43 GLN : amide:sc= -0.822 K(o=-0.82,f=-1.8!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 180:sc= -0.041 USER MOD Single : A 65 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.24) USER MOD Single : A 67 ASN : amide:sc= -0.0464 X(o=-0.046,f=-0.35) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.8!) USER MOD Single : A 84 GLN : amide:sc= -1.26 K(o=-1.3,f=-5.6!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -160:sc= -0.0606 (180deg=-0.119) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.28) USER MOD Single : A 99 GLN : amide:sc= -2.41 K(o=-2.4,f=-3.1) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.03) USER MOD ----------------------------------------------------------------- ATOM 325 N ASN A 24 -5.385 -5.460 8.566 1.00 0.00 N ATOM 326 CA ASN A 24 -4.547 -4.443 7.941 1.00 0.00 C ATOM 327 C ASN A 24 -3.626 -5.065 6.896 1.00 0.00 C ATOM 328 O ASN A 24 -2.905 -6.024 7.178 1.00 0.00 O ATOM 329 CB ASN A 24 -3.716 -3.716 9.001 1.00 0.00 C ATOM 330 CG ASN A 24 -4.574 -3.127 10.103 1.00 0.00 C ATOM 331 OD1 ASN A 24 -5.407 -2.254 9.857 1.00 0.00 O ATOM 332 ND2 ASN A 24 -4.374 -3.601 11.327 1.00 0.00 N ATOM 0 HA ASN A 24 -5.199 -3.725 7.444 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.998 -4.411 9.436 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.142 -2.920 8.526 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.921 -3.241 12.109 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.673 -4.325 11.485 1.00 0.00 H new ATOM 339 N TYR A 25 -3.652 -4.513 5.688 1.00 0.00 N ATOM 340 CA TYR A 25 -2.822 -5.014 4.600 1.00 0.00 C ATOM 341 C TYR A 25 -1.545 -4.188 4.464 1.00 0.00 C ATOM 342 O TYR A 25 -0.541 -4.662 3.932 1.00 0.00 O ATOM 343 CB TYR A 25 -3.599 -4.989 3.283 1.00 0.00 C ATOM 344 CG TYR A 25 -4.008 -6.361 2.795 1.00 0.00 C ATOM 345 CD1 TYR A 25 -5.190 -6.950 3.229 1.00 0.00 C ATOM 346 CD2 TYR A 25 -3.211 -7.068 1.903 1.00 0.00 C ATOM 347 CE1 TYR A 25 -5.566 -8.204 2.786 1.00 0.00 C ATOM 348 CE2 TYR A 25 -3.582 -8.322 1.455 1.00 0.00 C ATOM 349 CZ TYR A 25 -4.759 -8.885 1.899 1.00 0.00 C ATOM 350 OH TYR A 25 -5.130 -10.134 1.456 1.00 0.00 O ATOM 0 H TYR A 25 -4.240 -3.718 5.438 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.547 -6.043 4.832 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.492 -4.376 3.409 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.988 -4.508 2.519 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.825 -6.419 3.923 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.287 -6.631 1.554 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.487 -8.648 3.133 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.952 -8.858 0.760 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.453 -10.476 0.835 1.00 0.00 H new ATOM 360 N ILE A 26 -1.593 -2.953 4.951 1.00 0.00 N ATOM 361 CA ILE A 26 -0.442 -2.062 4.886 1.00 0.00 C ATOM 362 C ILE A 26 -0.445 -1.074 6.048 1.00 0.00 C ATOM 363 O ILE A 26 -1.403 -0.322 6.234 1.00 0.00 O ATOM 364 CB ILE A 26 -0.409 -1.279 3.560 1.00 0.00 C ATOM 365 CG1 ILE A 26 -1.801 -0.737 3.229 1.00 0.00 C ATOM 366 CG2 ILE A 26 0.101 -2.164 2.434 1.00 0.00 C ATOM 367 CD1 ILE A 26 -1.775 0.548 2.431 1.00 0.00 C ATOM 0 H ILE A 26 -2.417 -2.547 5.395 1.00 0.00 H new ATOM 0 HA ILE A 26 0.447 -2.690 4.949 1.00 0.00 H new ATOM 0 HB ILE A 26 0.273 -0.436 3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.352 -1.492 2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.346 -0.568 4.157 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.118 -1.596 1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.109 -2.507 2.669 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.558 -3.025 2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.796 0.874 2.233 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.252 1.318 2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.258 0.379 1.486 1.00 0.00 H new ATOM 379 N HIS A 27 0.632 -1.079 6.825 1.00 0.00 N ATOM 380 CA HIS A 27 0.756 -0.181 7.968 1.00 0.00 C ATOM 381 C HIS A 27 1.620 1.026 7.620 1.00 0.00 C ATOM 382 O HIS A 27 2.647 0.895 6.952 1.00 0.00 O ATOM 383 CB HIS A 27 1.353 -0.923 9.165 1.00 0.00 C ATOM 384 CG HIS A 27 1.162 -0.209 10.467 1.00 0.00 C ATOM 385 ND1 HIS A 27 0.478 -0.757 11.533 1.00 0.00 N ATOM 386 CD2 HIS A 27 1.571 1.015 10.874 1.00 0.00 C ATOM 387 CE1 HIS A 27 0.474 0.100 12.537 1.00 0.00 C ATOM 388 NE2 HIS A 27 1.130 1.183 12.165 1.00 0.00 N ATOM 0 H HIS A 27 1.433 -1.695 6.685 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.241 0.172 8.230 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.899 -1.912 9.232 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.419 -1.072 8.995 1.00 0.00 H new ATOM 0 HD1 HIS A 27 0.044 -1.680 11.543 1.00 0.00 H new ATOM 0 HD2 HIS A 27 2.138 1.727 10.293 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.012 -0.058 13.500 1.00 0.00 H new ATOM 396 N ILE A 28 1.199 2.201 8.076 1.00 0.00 N ATOM 397 CA ILE A 28 1.936 3.431 7.813 1.00 0.00 C ATOM 398 C ILE A 28 1.861 4.382 9.002 1.00 0.00 C ATOM 399 O ILE A 28 0.798 4.914 9.320 1.00 0.00 O ATOM 400 CB ILE A 28 1.400 4.150 6.561 1.00 0.00 C ATOM 401 CG1 ILE A 28 0.892 3.132 5.539 1.00 0.00 C ATOM 402 CG2 ILE A 28 2.482 5.027 5.950 1.00 0.00 C ATOM 403 CD1 ILE A 28 0.419 3.759 4.246 1.00 0.00 C ATOM 0 H ILE A 28 0.351 2.327 8.629 1.00 0.00 H new ATOM 0 HA ILE A 28 2.975 3.147 7.643 1.00 0.00 H new ATOM 0 HB ILE A 28 0.566 4.787 6.856 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.689 2.422 5.319 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.072 2.565 5.980 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.088 5.528 5.066 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.800 5.773 6.678 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.334 4.409 5.667 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.073 2.978 3.568 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.399 4.448 4.454 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.242 4.303 3.783 1.00 0.00 H new ATOM 415 N ARG A 29 2.999 4.593 9.657 1.00 0.00 N ATOM 416 CA ARG A 29 3.063 5.480 10.812 1.00 0.00 C ATOM 417 C ARG A 29 3.766 6.786 10.456 1.00 0.00 C ATOM 418 O ARG A 29 4.989 6.892 10.562 1.00 0.00 O ATOM 419 CB ARG A 29 3.792 4.795 11.968 1.00 0.00 C ATOM 420 CG ARG A 29 3.329 3.369 12.222 1.00 0.00 C ATOM 421 CD ARG A 29 4.097 2.729 13.368 1.00 0.00 C ATOM 422 NE ARG A 29 3.732 1.327 13.557 1.00 0.00 N ATOM 423 CZ ARG A 29 4.101 0.354 12.730 1.00 0.00 C ATOM 424 NH1 ARG A 29 4.841 0.629 11.665 1.00 0.00 N ATOM 425 NH2 ARG A 29 3.727 -0.897 12.969 1.00 0.00 N ATOM 0 H ARG A 29 3.889 4.161 9.407 1.00 0.00 H new ATOM 0 HA ARG A 29 2.043 5.709 11.120 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.862 4.789 11.759 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.648 5.382 12.875 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.263 3.367 12.451 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.462 2.776 11.317 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.167 2.802 13.173 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.903 3.281 14.287 1.00 0.00 H new ATOM 0 HE ARG A 29 3.163 1.082 14.367 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.129 1.590 11.478 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.122 -0.120 11.032 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.157 -1.111 13.787 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.010 -1.644 12.335 1.00 0.00 H new ATOM 439 N ILE A 30 2.987 7.774 10.032 1.00 0.00 N ATOM 440 CA ILE A 30 3.536 9.073 9.660 1.00 0.00 C ATOM 441 C ILE A 30 3.676 9.979 10.878 1.00 0.00 C ATOM 442 O ILE A 30 2.763 10.079 11.698 1.00 0.00 O ATOM 443 CB ILE A 30 2.657 9.777 8.610 1.00 0.00 C ATOM 444 CG1 ILE A 30 3.335 11.057 8.118 1.00 0.00 C ATOM 445 CG2 ILE A 30 1.284 10.087 9.189 1.00 0.00 C ATOM 446 CD1 ILE A 30 3.260 11.244 6.619 1.00 0.00 C ATOM 0 H ILE A 30 1.974 7.701 9.937 1.00 0.00 H new ATOM 0 HA ILE A 30 4.521 8.888 9.232 1.00 0.00 H new ATOM 0 HB ILE A 30 2.528 9.107 7.760 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.872 11.914 8.606 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.382 11.044 8.422 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.675 10.585 8.434 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.799 9.159 9.493 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.393 10.740 10.055 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.761 12.172 6.343 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.749 10.406 6.123 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.216 11.290 6.310 1.00 0.00 H new ATOM 583 N THR A 38 11.110 15.088 7.271 1.00 0.00 N ATOM 584 CA THR A 38 9.964 14.268 7.647 1.00 0.00 C ATOM 585 C THR A 38 10.374 12.818 7.869 1.00 0.00 C ATOM 586 O THR A 38 11.413 12.373 7.377 1.00 0.00 O ATOM 587 CB THR A 38 8.861 14.319 6.574 1.00 0.00 C ATOM 588 OG1 THR A 38 9.447 14.449 5.274 1.00 0.00 O ATOM 589 CG2 THR A 38 7.913 15.483 6.826 1.00 0.00 C ATOM 0 HA THR A 38 9.574 14.679 8.578 1.00 0.00 H new ATOM 0 HB THR A 38 8.293 13.390 6.625 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.462 13.574 4.833 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.143 15.498 6.055 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.446 15.367 7.804 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.471 16.419 6.800 1.00 0.00 H new ATOM 597 N LEU A 39 9.552 12.083 8.611 1.00 0.00 N ATOM 598 CA LEU A 39 9.831 10.680 8.898 1.00 0.00 C ATOM 599 C LEU A 39 8.545 9.858 8.897 1.00 0.00 C ATOM 600 O LEU A 39 7.544 10.251 9.497 1.00 0.00 O ATOM 601 CB LEU A 39 10.534 10.544 10.250 1.00 0.00 C ATOM 602 CG LEU A 39 11.789 11.395 10.442 1.00 0.00 C ATOM 603 CD1 LEU A 39 11.438 12.729 11.083 1.00 0.00 C ATOM 604 CD2 LEU A 39 12.815 10.651 11.284 1.00 0.00 C ATOM 0 H LEU A 39 8.688 12.435 9.024 1.00 0.00 H new ATOM 0 HA LEU A 39 10.486 10.299 8.115 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.822 10.800 11.035 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.803 9.498 10.393 1.00 0.00 H new ATOM 0 HG LEU A 39 12.225 11.590 9.462 1.00 0.00 H new ATOM 0 HD11 LEU A 39 12.344 13.321 11.212 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.741 13.268 10.442 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.977 12.555 12.055 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.702 11.272 11.410 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.389 10.425 12.261 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.091 9.722 10.785 1.00 0.00 H new ATOM 616 N THR A 40 8.580 8.714 8.218 1.00 0.00 N ATOM 617 CA THR A 40 7.418 7.839 8.139 1.00 0.00 C ATOM 618 C THR A 40 7.838 6.381 7.993 1.00 0.00 C ATOM 619 O THR A 40 8.704 6.050 7.180 1.00 0.00 O ATOM 620 CB THR A 40 6.507 8.218 6.958 1.00 0.00 C ATOM 621 OG1 THR A 40 6.036 9.563 7.113 1.00 0.00 O ATOM 622 CG2 THR A 40 5.321 7.270 6.861 1.00 0.00 C ATOM 0 H THR A 40 9.400 8.373 7.716 1.00 0.00 H new ATOM 0 HA THR A 40 6.864 7.965 9.069 1.00 0.00 H new ATOM 0 HB THR A 40 7.090 8.140 6.041 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.889 9.962 6.230 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.692 7.559 6.019 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.680 6.252 6.713 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.739 7.319 7.782 1.00 0.00 H new ATOM 630 N THR A 41 7.222 5.509 8.785 1.00 0.00 N ATOM 631 CA THR A 41 7.532 4.086 8.744 1.00 0.00 C ATOM 632 C THR A 41 6.448 3.307 8.010 1.00 0.00 C ATOM 633 O THR A 41 5.325 3.788 7.848 1.00 0.00 O ATOM 634 CB THR A 41 7.695 3.505 10.162 1.00 0.00 C ATOM 635 OG1 THR A 41 6.415 3.387 10.793 1.00 0.00 O ATOM 636 CG2 THR A 41 8.605 4.386 11.006 1.00 0.00 C ATOM 0 H THR A 41 6.504 5.764 9.463 1.00 0.00 H new ATOM 0 HA THR A 41 8.475 3.984 8.207 1.00 0.00 H new ATOM 0 HB THR A 41 8.149 2.518 10.077 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.520 3.473 11.764 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.705 3.956 12.003 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.587 4.449 10.537 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.175 5.385 11.083 1.00 0.00 H new ATOM 644 N VAL A 42 6.787 2.100 7.568 1.00 0.00 N ATOM 645 CA VAL A 42 5.841 1.254 6.853 1.00 0.00 C ATOM 646 C VAL A 42 6.061 -0.218 7.183 1.00 0.00 C ATOM 647 O VAL A 42 7.178 -0.635 7.490 1.00 0.00 O ATOM 648 CB VAL A 42 5.954 1.448 5.329 1.00 0.00 C ATOM 649 CG1 VAL A 42 4.829 0.716 4.611 1.00 0.00 C ATOM 650 CG2 VAL A 42 5.946 2.929 4.979 1.00 0.00 C ATOM 0 H VAL A 42 7.711 1.687 7.693 1.00 0.00 H new ATOM 0 HA VAL A 42 4.844 1.552 7.177 1.00 0.00 H new ATOM 0 HB VAL A 42 6.901 1.024 4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.926 0.865 3.536 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.886 -0.349 4.836 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.868 1.107 4.946 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.027 3.048 3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.016 3.380 5.325 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.790 3.422 5.462 1.00 0.00 H new ATOM 660 N GLN A 43 4.988 -1.001 7.118 1.00 0.00 N ATOM 661 CA GLN A 43 5.065 -2.427 7.411 1.00 0.00 C ATOM 662 C GLN A 43 4.113 -3.218 6.520 1.00 0.00 C ATOM 663 O GLN A 43 3.217 -2.652 5.896 1.00 0.00 O ATOM 664 CB GLN A 43 4.737 -2.686 8.884 1.00 0.00 C ATOM 665 CG GLN A 43 5.179 -4.054 9.374 1.00 0.00 C ATOM 666 CD GLN A 43 4.040 -5.053 9.421 1.00 0.00 C ATOM 667 OE1 GLN A 43 2.901 -4.699 9.727 1.00 0.00 O ATOM 668 NE2 GLN A 43 4.341 -6.311 9.118 1.00 0.00 N ATOM 0 H GLN A 43 4.056 -0.672 6.865 1.00 0.00 H new ATOM 0 HA GLN A 43 6.083 -2.759 7.209 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.214 -1.919 9.494 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.662 -2.587 9.031 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.964 -4.434 8.720 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.613 -3.957 10.369 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.298 -6.561 8.870 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.615 -7.027 9.133 1.00 0.00 H new ATOM 677 N GLY A 44 4.314 -4.531 6.466 1.00 0.00 N ATOM 678 CA GLY A 44 3.467 -5.379 5.648 1.00 0.00 C ATOM 679 C GLY A 44 4.154 -5.832 4.375 1.00 0.00 C ATOM 680 O GLY A 44 3.521 -6.405 3.489 1.00 0.00 O ATOM 0 H GLY A 44 5.049 -5.023 6.975 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.167 -6.253 6.226 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.556 -4.838 5.392 1.00 0.00 H new ATOM 684 N VAL A 45 5.455 -5.572 4.282 1.00 0.00 N ATOM 685 CA VAL A 45 6.229 -5.957 3.108 1.00 0.00 C ATOM 686 C VAL A 45 6.221 -7.469 2.917 1.00 0.00 C ATOM 687 O VAL A 45 6.435 -8.239 3.852 1.00 0.00 O ATOM 688 CB VAL A 45 7.687 -5.470 3.215 1.00 0.00 C ATOM 689 CG1 VAL A 45 8.469 -5.853 1.968 1.00 0.00 C ATOM 690 CG2 VAL A 45 7.732 -3.966 3.443 1.00 0.00 C ATOM 0 H VAL A 45 5.994 -5.097 5.006 1.00 0.00 H new ATOM 0 HA VAL A 45 5.758 -5.483 2.247 1.00 0.00 H new ATOM 0 HB VAL A 45 8.153 -5.957 4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.497 -5.501 2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.465 -6.937 1.855 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.006 -5.395 1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.770 -3.640 3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.250 -3.457 2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.209 -3.722 4.368 1.00 0.00 H new ATOM 700 N PRO A 46 5.971 -7.905 1.673 1.00 0.00 N ATOM 701 CA PRO A 46 5.931 -9.329 1.327 1.00 0.00 C ATOM 702 C PRO A 46 7.308 -9.978 1.383 1.00 0.00 C ATOM 703 O PRO A 46 8.281 -9.355 1.807 1.00 0.00 O ATOM 704 CB PRO A 46 5.396 -9.331 -0.108 1.00 0.00 C ATOM 705 CG PRO A 46 5.771 -7.995 -0.653 1.00 0.00 C ATOM 706 CD PRO A 46 5.709 -7.042 0.509 1.00 0.00 C ATOM 0 HA PRO A 46 5.319 -9.901 2.025 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.838 -10.136 -0.694 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.316 -9.478 -0.128 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.771 -8.017 -1.087 1.00 0.00 H new ATOM 0 HG3 PRO A 46 5.087 -7.690 -1.445 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.453 -6.251 0.420 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.735 -6.557 0.579 1.00 0.00 H new ATOM 714 N GLU A 47 7.386 -11.233 0.950 1.00 0.00 N ATOM 715 CA GLU A 47 8.646 -11.966 0.953 1.00 0.00 C ATOM 716 C GLU A 47 9.431 -11.701 -0.328 1.00 0.00 C ATOM 717 O GLU A 47 10.661 -11.737 -0.333 1.00 0.00 O ATOM 718 CB GLU A 47 8.389 -13.467 1.104 1.00 0.00 C ATOM 719 CG GLU A 47 9.501 -14.204 1.832 1.00 0.00 C ATOM 720 CD GLU A 47 9.365 -14.123 3.339 1.00 0.00 C ATOM 721 OE1 GLU A 47 9.488 -13.009 3.888 1.00 0.00 O ATOM 722 OE2 GLU A 47 9.135 -15.176 3.971 1.00 0.00 O ATOM 0 H GLU A 47 6.591 -11.763 0.593 1.00 0.00 H new ATOM 0 HA GLU A 47 9.237 -11.619 1.801 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.453 -13.615 1.643 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.260 -13.906 0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.499 -15.250 1.527 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.463 -13.787 1.535 1.00 0.00 H new ATOM 729 N GLU A 48 8.710 -11.434 -1.414 1.00 0.00 N ATOM 730 CA GLU A 48 9.340 -11.163 -2.700 1.00 0.00 C ATOM 731 C GLU A 48 9.990 -9.782 -2.709 1.00 0.00 C ATOM 732 O GLU A 48 10.665 -9.408 -3.668 1.00 0.00 O ATOM 733 CB GLU A 48 8.310 -11.262 -3.828 1.00 0.00 C ATOM 734 CG GLU A 48 8.688 -12.256 -4.912 1.00 0.00 C ATOM 735 CD GLU A 48 7.503 -12.669 -5.764 1.00 0.00 C ATOM 736 OE1 GLU A 48 6.354 -12.502 -5.302 1.00 0.00 O ATOM 737 OE2 GLU A 48 7.724 -13.158 -6.892 1.00 0.00 O ATOM 0 H GLU A 48 7.691 -11.400 -1.428 1.00 0.00 H new ATOM 0 HA GLU A 48 10.117 -11.911 -2.860 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.347 -11.548 -3.405 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.181 -10.278 -4.278 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.455 -11.817 -5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.126 -13.142 -4.451 1.00 0.00 H new ATOM 744 N TYR A 49 9.780 -9.029 -1.636 1.00 0.00 N ATOM 745 CA TYR A 49 10.341 -7.689 -1.520 1.00 0.00 C ATOM 746 C TYR A 49 11.165 -7.552 -0.242 1.00 0.00 C ATOM 747 O TYR A 49 10.617 -7.425 0.852 1.00 0.00 O ATOM 748 CB TYR A 49 9.225 -6.643 -1.535 1.00 0.00 C ATOM 749 CG TYR A 49 9.545 -5.429 -2.379 1.00 0.00 C ATOM 750 CD1 TYR A 49 10.844 -4.945 -2.469 1.00 0.00 C ATOM 751 CD2 TYR A 49 8.548 -4.767 -3.084 1.00 0.00 C ATOM 752 CE1 TYR A 49 11.141 -3.837 -3.239 1.00 0.00 C ATOM 753 CE2 TYR A 49 8.836 -3.658 -3.857 1.00 0.00 C ATOM 754 CZ TYR A 49 10.134 -3.197 -3.931 1.00 0.00 C ATOM 755 OH TYR A 49 10.424 -2.093 -4.699 1.00 0.00 O ATOM 0 H TYR A 49 9.225 -9.324 -0.833 1.00 0.00 H new ATOM 0 HA TYR A 49 10.998 -7.522 -2.374 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.311 -7.104 -1.909 1.00 0.00 H new ATOM 0 HB3 TYR A 49 9.025 -6.322 -0.513 1.00 0.00 H new ATOM 0 HD1 TYR A 49 11.635 -5.443 -1.928 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.531 -5.125 -3.027 1.00 0.00 H new ATOM 0 HE1 TYR A 49 12.156 -3.474 -3.299 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.049 -3.155 -4.400 1.00 0.00 H new ATOM 0 HH TYR A 49 9.603 -1.763 -5.121 1.00 0.00 H new ATOM 765 N ASP A 50 12.485 -7.577 -0.391 1.00 0.00 N ATOM 766 CA ASP A 50 13.385 -7.454 0.748 1.00 0.00 C ATOM 767 C ASP A 50 13.685 -5.988 1.048 1.00 0.00 C ATOM 768 O ASP A 50 13.347 -5.101 0.263 1.00 0.00 O ATOM 769 CB ASP A 50 14.688 -8.208 0.479 1.00 0.00 C ATOM 770 CG ASP A 50 15.104 -9.080 1.649 1.00 0.00 C ATOM 771 OD1 ASP A 50 14.223 -9.736 2.243 1.00 0.00 O ATOM 772 OD2 ASP A 50 16.311 -9.105 1.970 1.00 0.00 O ATOM 0 H ASP A 50 12.955 -7.681 -1.290 1.00 0.00 H new ATOM 0 HA ASP A 50 12.893 -7.891 1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.569 -8.829 -0.409 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.481 -7.492 0.263 1.00 0.00 H new ATOM 777 N LEU A 51 14.319 -5.741 2.189 1.00 0.00 N ATOM 778 CA LEU A 51 14.663 -4.383 2.594 1.00 0.00 C ATOM 779 C LEU A 51 15.733 -3.796 1.679 1.00 0.00 C ATOM 780 O LEU A 51 15.856 -2.578 1.550 1.00 0.00 O ATOM 781 CB LEU A 51 15.152 -4.370 4.043 1.00 0.00 C ATOM 782 CG LEU A 51 14.076 -4.192 5.114 1.00 0.00 C ATOM 783 CD1 LEU A 51 13.336 -2.879 4.916 1.00 0.00 C ATOM 784 CD2 LEU A 51 13.103 -5.363 5.092 1.00 0.00 C ATOM 0 H LEU A 51 14.605 -6.463 2.850 1.00 0.00 H new ATOM 0 HA LEU A 51 13.766 -3.769 2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.677 -5.305 4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 51 15.881 -3.567 4.152 1.00 0.00 H new ATOM 0 HG LEU A 51 14.563 -4.167 6.089 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.574 -2.771 5.688 1.00 0.00 H new ATOM 0 HD12 LEU A 51 14.041 -2.050 4.983 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.861 -2.873 3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.344 -5.220 5.861 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.624 -5.419 4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.644 -6.289 5.285 1.00 0.00 H new ATOM 796 N LYS A 52 16.504 -4.671 1.042 1.00 0.00 N ATOM 797 CA LYS A 52 17.562 -4.241 0.136 1.00 0.00 C ATOM 798 C LYS A 52 16.979 -3.759 -1.190 1.00 0.00 C ATOM 799 O LYS A 52 17.509 -2.837 -1.812 1.00 0.00 O ATOM 800 CB LYS A 52 18.544 -5.388 -0.116 1.00 0.00 C ATOM 801 CG LYS A 52 19.800 -4.962 -0.855 1.00 0.00 C ATOM 802 CD LYS A 52 20.088 -5.875 -2.037 1.00 0.00 C ATOM 803 CE LYS A 52 21.581 -5.986 -2.303 1.00 0.00 C ATOM 804 NZ LYS A 52 22.166 -7.205 -1.678 1.00 0.00 N ATOM 0 H LYS A 52 16.416 -5.683 1.137 1.00 0.00 H new ATOM 0 HA LYS A 52 18.092 -3.412 0.605 1.00 0.00 H new ATOM 0 HB2 LYS A 52 18.827 -5.829 0.840 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.041 -6.166 -0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.687 -3.936 -1.205 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.648 -4.973 -0.170 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.677 -6.866 -1.842 1.00 0.00 H new ATOM 0 HD3 LYS A 52 19.586 -5.491 -2.925 1.00 0.00 H new ATOM 0 HE2 LYS A 52 21.758 -6.009 -3.378 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.086 -5.101 -1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 23.185 -7.245 -1.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 22.020 -7.172 -0.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 21.702 -8.051 -2.066 1.00 0.00 H new ATOM 818 N ARG A 53 15.887 -4.385 -1.615 1.00 0.00 N ATOM 819 CA ARG A 53 15.234 -4.018 -2.866 1.00 0.00 C ATOM 820 C ARG A 53 14.446 -2.721 -2.707 1.00 0.00 C ATOM 821 O ARG A 53 14.340 -1.930 -3.644 1.00 0.00 O ATOM 822 CB ARG A 53 14.301 -5.139 -3.326 1.00 0.00 C ATOM 823 CG ARG A 53 13.755 -4.940 -4.731 1.00 0.00 C ATOM 824 CD ARG A 53 14.716 -5.471 -5.782 1.00 0.00 C ATOM 825 NE ARG A 53 14.682 -6.929 -5.867 1.00 0.00 N ATOM 826 CZ ARG A 53 15.395 -7.631 -6.742 1.00 0.00 C ATOM 827 NH1 ARG A 53 16.192 -7.013 -7.601 1.00 0.00 N ATOM 828 NH2 ARG A 53 15.310 -8.955 -6.757 1.00 0.00 N ATOM 0 H ARG A 53 15.436 -5.149 -1.112 1.00 0.00 H new ATOM 0 HA ARG A 53 16.007 -3.865 -3.619 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.838 -6.087 -3.285 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.467 -5.215 -2.629 1.00 0.00 H new ATOM 0 HG2 ARG A 53 12.795 -5.447 -4.825 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.573 -3.879 -4.905 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.463 -5.045 -6.753 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.729 -5.145 -5.545 1.00 0.00 H new ATOM 0 HE ARG A 53 14.078 -7.436 -5.220 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.260 -5.995 -7.592 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.738 -7.555 -8.271 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.697 -9.434 -6.097 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.857 -9.494 -7.429 1.00 0.00 H new ATOM 842 N ILE A 54 13.897 -2.510 -1.516 1.00 0.00 N ATOM 843 CA ILE A 54 13.120 -1.309 -1.235 1.00 0.00 C ATOM 844 C ILE A 54 14.031 -0.113 -0.974 1.00 0.00 C ATOM 845 O ILE A 54 13.674 1.029 -1.267 1.00 0.00 O ATOM 846 CB ILE A 54 12.194 -1.508 -0.020 1.00 0.00 C ATOM 847 CG1 ILE A 54 11.241 -2.680 -0.265 1.00 0.00 C ATOM 848 CG2 ILE A 54 11.413 -0.234 0.265 1.00 0.00 C ATOM 849 CD1 ILE A 54 10.361 -3.002 0.921 1.00 0.00 C ATOM 0 H ILE A 54 13.976 -3.155 -0.730 1.00 0.00 H new ATOM 0 HA ILE A 54 12.511 -1.114 -2.118 1.00 0.00 H new ATOM 0 HB ILE A 54 12.807 -1.738 0.852 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.610 -2.451 -1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.824 -3.564 -0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 54 10.763 -0.390 1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 54 12.108 0.579 0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.808 0.024 -0.604 1.00 0.00 H new ATOM 0 HD11 ILE A 54 9.712 -3.843 0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.984 -3.263 1.776 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.751 -2.133 1.168 1.00 0.00 H new ATOM 861 N LEU A 55 15.209 -0.384 -0.423 1.00 0.00 N ATOM 862 CA LEU A 55 16.174 0.669 -0.125 1.00 0.00 C ATOM 863 C LEU A 55 16.943 1.075 -1.378 1.00 0.00 C ATOM 864 O LEU A 55 17.390 2.216 -1.503 1.00 0.00 O ATOM 865 CB LEU A 55 17.149 0.203 0.957 1.00 0.00 C ATOM 866 CG LEU A 55 18.458 0.986 1.064 1.00 0.00 C ATOM 867 CD1 LEU A 55 18.182 2.445 1.390 1.00 0.00 C ATOM 868 CD2 LEU A 55 19.368 0.365 2.114 1.00 0.00 C ATOM 0 H LEU A 55 15.519 -1.323 -0.174 1.00 0.00 H new ATOM 0 HA LEU A 55 15.625 1.538 0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.641 0.250 1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.389 -0.844 0.774 1.00 0.00 H new ATOM 0 HG LEU A 55 18.966 0.940 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 55 19.125 2.986 1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 55 17.571 2.885 0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 55 17.652 2.512 2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 55 20.295 0.936 2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 55 18.868 0.378 3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 55 19.594 -0.665 1.837 1.00 0.00 H new ATOM 880 N LYS A 56 17.090 0.135 -2.305 1.00 0.00 N ATOM 881 CA LYS A 56 17.802 0.395 -3.552 1.00 0.00 C ATOM 882 C LYS A 56 16.901 1.112 -4.553 1.00 0.00 C ATOM 883 O LYS A 56 17.355 1.977 -5.303 1.00 0.00 O ATOM 884 CB LYS A 56 18.310 -0.916 -4.155 1.00 0.00 C ATOM 885 CG LYS A 56 19.438 -0.728 -5.154 1.00 0.00 C ATOM 886 CD LYS A 56 20.145 -2.040 -5.450 1.00 0.00 C ATOM 887 CE LYS A 56 20.699 -2.067 -6.868 1.00 0.00 C ATOM 888 NZ LYS A 56 22.157 -2.367 -6.887 1.00 0.00 N ATOM 0 H LYS A 56 16.726 -0.814 -2.217 1.00 0.00 H new ATOM 0 HA LYS A 56 18.653 1.039 -3.329 1.00 0.00 H new ATOM 0 HB2 LYS A 56 18.653 -1.567 -3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 56 17.481 -1.425 -4.647 1.00 0.00 H new ATOM 0 HG2 LYS A 56 19.040 -0.311 -6.079 1.00 0.00 H new ATOM 0 HG3 LYS A 56 20.156 -0.007 -4.762 1.00 0.00 H new ATOM 0 HD2 LYS A 56 20.957 -2.186 -4.738 1.00 0.00 H new ATOM 0 HD3 LYS A 56 19.450 -2.868 -5.314 1.00 0.00 H new ATOM 0 HE2 LYS A 56 20.166 -2.817 -7.452 1.00 0.00 H new ATOM 0 HE3 LYS A 56 20.520 -1.104 -7.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 22.497 -2.377 -7.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 22.669 -1.637 -6.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 22.326 -3.297 -6.453 1.00 0.00 H new ATOM 902 N VAL A 57 15.622 0.750 -4.556 1.00 0.00 N ATOM 903 CA VAL A 57 14.658 1.362 -5.463 1.00 0.00 C ATOM 904 C VAL A 57 14.279 2.763 -4.999 1.00 0.00 C ATOM 905 O VAL A 57 14.173 3.689 -5.805 1.00 0.00 O ATOM 906 CB VAL A 57 13.381 0.508 -5.582 1.00 0.00 C ATOM 907 CG1 VAL A 57 12.314 1.251 -6.373 1.00 0.00 C ATOM 908 CG2 VAL A 57 13.694 -0.835 -6.223 1.00 0.00 C ATOM 0 H VAL A 57 15.230 0.037 -3.941 1.00 0.00 H new ATOM 0 HA VAL A 57 15.137 1.425 -6.440 1.00 0.00 H new ATOM 0 HB VAL A 57 12.994 0.323 -4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 57 11.419 0.633 -6.447 1.00 0.00 H new ATOM 0 HG12 VAL A 57 12.069 2.184 -5.866 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.688 1.469 -7.373 1.00 0.00 H new ATOM 0 HG21 VAL A 57 12.780 -1.424 -6.299 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.106 -0.675 -7.219 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.421 -1.370 -5.611 1.00 0.00 H new ATOM 918 N LEU A 58 14.074 2.914 -3.695 1.00 0.00 N ATOM 919 CA LEU A 58 13.708 4.204 -3.122 1.00 0.00 C ATOM 920 C LEU A 58 14.878 5.181 -3.187 1.00 0.00 C ATOM 921 O LEU A 58 14.702 6.354 -3.518 1.00 0.00 O ATOM 922 CB LEU A 58 13.254 4.029 -1.672 1.00 0.00 C ATOM 923 CG LEU A 58 11.795 3.620 -1.471 1.00 0.00 C ATOM 924 CD1 LEU A 58 10.893 4.843 -1.459 1.00 0.00 C ATOM 925 CD2 LEU A 58 11.360 2.644 -2.553 1.00 0.00 C ATOM 0 H LEU A 58 14.155 2.158 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 58 12.885 4.614 -3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 58 13.889 3.278 -1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.424 4.967 -1.143 1.00 0.00 H new ATOM 0 HG LEU A 58 11.708 3.122 -0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 58 9.859 4.531 -1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 58 11.189 5.505 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.984 5.371 -2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.319 2.364 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.463 3.115 -3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.986 1.752 -2.512 1.00 0.00 H new ATOM 937 N LYS A 59 16.071 4.689 -2.871 1.00 0.00 N ATOM 938 CA LYS A 59 17.271 5.516 -2.897 1.00 0.00 C ATOM 939 C LYS A 59 17.638 5.900 -4.327 1.00 0.00 C ATOM 940 O LYS A 59 18.132 6.999 -4.580 1.00 0.00 O ATOM 941 CB LYS A 59 18.439 4.777 -2.240 1.00 0.00 C ATOM 942 CG LYS A 59 19.734 5.572 -2.230 1.00 0.00 C ATOM 943 CD LYS A 59 20.329 5.649 -0.835 1.00 0.00 C ATOM 944 CE LYS A 59 21.734 6.233 -0.859 1.00 0.00 C ATOM 945 NZ LYS A 59 22.243 6.512 0.512 1.00 0.00 N ATOM 0 H LYS A 59 16.232 3.721 -2.594 1.00 0.00 H new ATOM 0 HA LYS A 59 17.065 6.428 -2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 59 18.168 4.526 -1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 59 18.604 3.836 -2.765 1.00 0.00 H new ATOM 0 HG2 LYS A 59 20.451 5.109 -2.908 1.00 0.00 H new ATOM 0 HG3 LYS A 59 19.547 6.579 -2.603 1.00 0.00 H new ATOM 0 HD2 LYS A 59 19.690 6.262 -0.199 1.00 0.00 H new ATOM 0 HD3 LYS A 59 20.356 4.652 -0.394 1.00 0.00 H new ATOM 0 HE2 LYS A 59 22.407 5.539 -1.362 1.00 0.00 H new ATOM 0 HE3 LYS A 59 21.734 7.155 -1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 23.202 6.909 0.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 21.615 7.194 0.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 22.267 5.628 1.060 1.00 0.00 H new ATOM 959 N LYS A 60 17.392 4.986 -5.261 1.00 0.00 N ATOM 960 CA LYS A 60 17.693 5.229 -6.666 1.00 0.00 C ATOM 961 C LYS A 60 16.586 6.043 -7.328 1.00 0.00 C ATOM 962 O LYS A 60 16.826 6.760 -8.299 1.00 0.00 O ATOM 963 CB LYS A 60 17.874 3.901 -7.406 1.00 0.00 C ATOM 964 CG LYS A 60 18.474 4.055 -8.793 1.00 0.00 C ATOM 965 CD LYS A 60 19.852 3.421 -8.880 1.00 0.00 C ATOM 966 CE LYS A 60 20.144 2.914 -10.283 1.00 0.00 C ATOM 967 NZ LYS A 60 21.179 1.843 -10.283 1.00 0.00 N ATOM 0 H LYS A 60 16.985 4.071 -5.069 1.00 0.00 H new ATOM 0 HA LYS A 60 18.620 5.799 -6.719 1.00 0.00 H new ATOM 0 HB2 LYS A 60 18.514 3.248 -6.813 1.00 0.00 H new ATOM 0 HB3 LYS A 60 16.906 3.407 -7.491 1.00 0.00 H new ATOM 0 HG2 LYS A 60 17.814 3.595 -9.529 1.00 0.00 H new ATOM 0 HG3 LYS A 60 18.543 5.113 -9.045 1.00 0.00 H new ATOM 0 HD2 LYS A 60 20.608 4.151 -8.591 1.00 0.00 H new ATOM 0 HD3 LYS A 60 19.919 2.595 -8.172 1.00 0.00 H new ATOM 0 HE2 LYS A 60 19.226 2.531 -10.729 1.00 0.00 H new ATOM 0 HE3 LYS A 60 20.480 3.743 -10.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 21.349 1.525 -11.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 22.063 2.215 -9.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 20.848 1.041 -9.710 1.00 0.00 H new ATOM 981 N ASP A 61 15.374 5.929 -6.794 1.00 0.00 N ATOM 982 CA ASP A 61 14.230 6.657 -7.332 1.00 0.00 C ATOM 983 C ASP A 61 14.359 8.152 -7.056 1.00 0.00 C ATOM 984 O ASP A 61 14.521 8.952 -7.979 1.00 0.00 O ATOM 985 CB ASP A 61 12.931 6.125 -6.727 1.00 0.00 C ATOM 986 CG ASP A 61 11.714 6.895 -7.201 1.00 0.00 C ATOM 987 OD1 ASP A 61 11.638 7.199 -8.410 1.00 0.00 O ATOM 988 OD2 ASP A 61 10.837 7.193 -6.363 1.00 0.00 O ATOM 0 H ASP A 61 15.159 5.340 -5.990 1.00 0.00 H new ATOM 0 HA ASP A 61 14.208 6.505 -8.411 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.816 5.073 -6.988 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.991 6.179 -5.640 1.00 0.00 H new ATOM 993 N PHE A 62 14.287 8.522 -5.782 1.00 0.00 N ATOM 994 CA PHE A 62 14.393 9.920 -5.386 1.00 0.00 C ATOM 995 C PHE A 62 15.214 10.063 -4.107 1.00 0.00 C ATOM 996 O PHE A 62 15.020 10.999 -3.333 1.00 0.00 O ATOM 997 CB PHE A 62 13.001 10.523 -5.181 1.00 0.00 C ATOM 998 CG PHE A 62 12.443 11.173 -6.413 1.00 0.00 C ATOM 999 CD1 PHE A 62 12.060 10.409 -7.504 1.00 0.00 C ATOM 1000 CD2 PHE A 62 12.299 12.549 -6.483 1.00 0.00 C ATOM 1001 CE1 PHE A 62 11.545 11.004 -8.639 1.00 0.00 C ATOM 1002 CE2 PHE A 62 11.786 13.152 -7.616 1.00 0.00 C ATOM 1003 CZ PHE A 62 11.407 12.379 -8.696 1.00 0.00 C ATOM 0 H PHE A 62 14.156 7.873 -5.006 1.00 0.00 H new ATOM 0 HA PHE A 62 14.901 10.459 -6.186 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.319 9.739 -4.853 1.00 0.00 H new ATOM 0 HB3 PHE A 62 13.048 11.261 -4.380 1.00 0.00 H new ATOM 0 HD1 PHE A 62 12.166 9.335 -7.466 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.592 13.159 -5.641 1.00 0.00 H new ATOM 0 HE1 PHE A 62 11.250 10.396 -9.482 1.00 0.00 H new ATOM 0 HE2 PHE A 62 11.682 14.226 -7.657 1.00 0.00 H new ATOM 0 HZ PHE A 62 11.004 12.847 -9.582 1.00 0.00 H new ATOM 1013 N ALA A 63 16.131 9.125 -3.893 1.00 0.00 N ATOM 1014 CA ALA A 63 16.982 9.145 -2.710 1.00 0.00 C ATOM 1015 C ALA A 63 16.150 9.098 -1.434 1.00 0.00 C ATOM 1016 O ALA A 63 16.198 10.018 -0.616 1.00 0.00 O ATOM 1017 CB ALA A 63 17.870 10.382 -2.718 1.00 0.00 C ATOM 0 H ALA A 63 16.303 8.342 -4.524 1.00 0.00 H new ATOM 0 HA ALA A 63 17.614 8.257 -2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 63 18.500 10.383 -1.828 1.00 0.00 H new ATOM 0 HB2 ALA A 63 18.499 10.373 -3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 63 17.247 11.277 -2.723 1.00 0.00 H new ATOM 1023 N CYS A 64 15.386 8.023 -1.269 1.00 0.00 N ATOM 1024 CA CYS A 64 14.541 7.859 -0.092 1.00 0.00 C ATOM 1025 C CYS A 64 15.120 6.807 0.850 1.00 0.00 C ATOM 1026 O CYS A 64 14.897 5.610 0.672 1.00 0.00 O ATOM 1027 CB CYS A 64 13.124 7.463 -0.508 1.00 0.00 C ATOM 1028 SG CYS A 64 11.958 8.845 -0.559 1.00 0.00 S ATOM 0 H CYS A 64 15.335 7.253 -1.936 1.00 0.00 H new ATOM 0 HA CYS A 64 14.504 8.812 0.435 1.00 0.00 H new ATOM 0 HB2 CYS A 64 13.162 6.997 -1.493 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.750 6.711 0.186 1.00 0.00 H new ATOM 0 HG CYS A 64 10.788 8.412 -0.923 1.00 0.00 H new ATOM 1034 N ASN A 65 15.867 7.262 1.850 1.00 0.00 N ATOM 1035 CA ASN A 65 16.480 6.361 2.819 1.00 0.00 C ATOM 1036 C ASN A 65 15.449 5.389 3.385 1.00 0.00 C ATOM 1037 O ASN A 65 14.451 5.800 3.975 1.00 0.00 O ATOM 1038 CB ASN A 65 17.122 7.160 3.955 1.00 0.00 C ATOM 1039 CG ASN A 65 17.935 8.335 3.448 1.00 0.00 C ATOM 1040 OD1 ASN A 65 17.508 9.485 3.538 1.00 0.00 O ATOM 1041 ND2 ASN A 65 19.115 8.049 2.908 1.00 0.00 N ATOM 0 H ASN A 65 16.063 8.250 2.011 1.00 0.00 H new ATOM 0 HA ASN A 65 17.252 5.787 2.307 1.00 0.00 H new ATOM 0 HB2 ASN A 65 16.343 7.523 4.625 1.00 0.00 H new ATOM 0 HB3 ASN A 65 17.765 6.502 4.540 1.00 0.00 H new ATOM 0 HD21 ASN A 65 19.706 8.798 2.548 1.00 0.00 H new ATOM 0 HD22 ASN A 65 19.430 7.080 2.854 1.00 0.00 H new ATOM 1048 N GLY A 66 15.699 4.096 3.203 1.00 0.00 N ATOM 1049 CA GLY A 66 14.784 3.086 3.701 1.00 0.00 C ATOM 1050 C GLY A 66 15.473 2.070 4.592 1.00 0.00 C ATOM 1051 O GLY A 66 15.877 1.004 4.131 1.00 0.00 O ATOM 0 H GLY A 66 16.519 3.730 2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.982 3.570 4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.321 2.572 2.859 1.00 0.00 H new ATOM 1055 N ASN A 67 15.608 2.403 5.871 1.00 0.00 N ATOM 1056 CA ASN A 67 16.254 1.512 6.828 1.00 0.00 C ATOM 1057 C ASN A 67 15.237 0.570 7.468 1.00 0.00 C ATOM 1058 O ASN A 67 14.043 0.636 7.172 1.00 0.00 O ATOM 1059 CB ASN A 67 16.965 2.324 7.913 1.00 0.00 C ATOM 1060 CG ASN A 67 17.585 3.596 7.369 1.00 0.00 C ATOM 1061 OD1 ASN A 67 18.148 3.605 6.273 1.00 0.00 O ATOM 1062 ND2 ASN A 67 17.488 4.677 8.133 1.00 0.00 N ATOM 0 H ASN A 67 15.279 3.283 6.269 1.00 0.00 H new ATOM 0 HA ASN A 67 16.989 0.914 6.290 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.253 2.577 8.699 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.742 1.712 8.371 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.889 5.561 7.819 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.013 4.624 9.034 1.00 0.00 H new ATOM 1069 N ILE A 68 15.719 -0.304 8.345 1.00 0.00 N ATOM 1070 CA ILE A 68 14.852 -1.258 9.026 1.00 0.00 C ATOM 1071 C ILE A 68 14.961 -1.116 10.540 1.00 0.00 C ATOM 1072 O ILE A 68 16.020 -0.774 11.068 1.00 0.00 O ATOM 1073 CB ILE A 68 15.191 -2.708 8.632 1.00 0.00 C ATOM 1074 CG1 ILE A 68 14.053 -3.648 9.034 1.00 0.00 C ATOM 1075 CG2 ILE A 68 16.498 -3.141 9.282 1.00 0.00 C ATOM 1076 CD1 ILE A 68 12.760 -3.380 8.298 1.00 0.00 C ATOM 0 H ILE A 68 16.704 -0.371 8.601 1.00 0.00 H new ATOM 0 HA ILE A 68 13.831 -1.035 8.715 1.00 0.00 H new ATOM 0 HB ILE A 68 15.312 -2.757 7.550 1.00 0.00 H new ATOM 0 HG12 ILE A 68 14.360 -4.677 8.849 1.00 0.00 H new ATOM 0 HG13 ILE A 68 13.878 -3.555 10.106 1.00 0.00 H new ATOM 0 HG21 ILE A 68 16.725 -4.168 8.995 1.00 0.00 H new ATOM 0 HG22 ILE A 68 17.304 -2.485 8.951 1.00 0.00 H new ATOM 0 HG23 ILE A 68 16.403 -3.080 10.366 1.00 0.00 H new ATOM 0 HD11 ILE A 68 11.998 -4.084 8.633 1.00 0.00 H new ATOM 0 HD12 ILE A 68 12.429 -2.362 8.503 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.919 -3.501 7.227 1.00 0.00 H new ATOM 1088 N VAL A 69 13.860 -1.381 11.235 1.00 0.00 N ATOM 1089 CA VAL A 69 13.832 -1.285 12.690 1.00 0.00 C ATOM 1090 C VAL A 69 13.052 -2.444 13.302 1.00 0.00 C ATOM 1091 O VAL A 69 12.366 -3.185 12.598 1.00 0.00 O ATOM 1092 CB VAL A 69 13.205 0.044 13.153 1.00 0.00 C ATOM 1093 CG1 VAL A 69 13.766 0.456 14.505 1.00 0.00 C ATOM 1094 CG2 VAL A 69 13.438 1.132 12.116 1.00 0.00 C ATOM 0 H VAL A 69 12.975 -1.664 10.814 1.00 0.00 H new ATOM 0 HA VAL A 69 14.867 -1.327 13.030 1.00 0.00 H new ATOM 0 HB VAL A 69 12.130 -0.099 13.261 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.312 1.397 14.816 1.00 0.00 H new ATOM 0 HG12 VAL A 69 13.543 -0.316 15.242 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.846 0.583 14.428 1.00 0.00 H new ATOM 0 HG21 VAL A 69 12.989 2.064 12.459 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.509 1.276 11.974 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.983 0.837 11.170 1.00 0.00 H new ATOM 1104 N LYS A 70 13.160 -2.593 14.617 1.00 0.00 N ATOM 1105 CA LYS A 70 12.465 -3.659 15.327 1.00 0.00 C ATOM 1106 C LYS A 70 11.645 -3.098 16.484 1.00 0.00 C ATOM 1107 O LYS A 70 12.198 -2.603 17.467 1.00 0.00 O ATOM 1108 CB LYS A 70 13.468 -4.690 15.852 1.00 0.00 C ATOM 1109 CG LYS A 70 12.819 -5.846 16.594 1.00 0.00 C ATOM 1110 CD LYS A 70 13.789 -6.501 17.564 1.00 0.00 C ATOM 1111 CE LYS A 70 13.057 -7.298 18.631 1.00 0.00 C ATOM 1112 NZ LYS A 70 13.761 -7.247 19.941 1.00 0.00 N ATOM 0 H LYS A 70 13.724 -1.988 15.214 1.00 0.00 H new ATOM 0 HA LYS A 70 11.787 -4.145 14.626 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.043 -5.084 15.014 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.173 -4.192 16.517 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.946 -5.486 17.138 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.464 -6.586 15.877 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.464 -7.159 17.016 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.404 -5.736 18.038 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.046 -6.907 18.747 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.963 -8.335 18.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.230 -7.803 20.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.717 -7.643 19.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.828 -6.260 20.261 1.00 0.00 H new ATOM 1126 N ASP A 71 10.324 -3.178 16.362 1.00 0.00 N ATOM 1127 CA ASP A 71 9.428 -2.681 17.399 1.00 0.00 C ATOM 1128 C ASP A 71 8.914 -3.825 18.267 1.00 0.00 C ATOM 1129 O ASP A 71 8.935 -4.992 17.876 1.00 0.00 O ATOM 1130 CB ASP A 71 8.253 -1.933 16.771 1.00 0.00 C ATOM 1131 CG ASP A 71 8.500 -0.439 16.677 1.00 0.00 C ATOM 1132 OD1 ASP A 71 9.678 -0.041 16.554 1.00 0.00 O ATOM 1133 OD2 ASP A 71 7.518 0.329 16.725 1.00 0.00 O ATOM 0 H ASP A 71 9.850 -3.583 15.554 1.00 0.00 H new ATOM 0 HA ASP A 71 9.990 -1.994 18.031 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.065 -2.330 15.774 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.354 -2.113 17.361 1.00 0.00 H new ATOM 1138 N PRO A 72 8.441 -3.485 19.475 1.00 0.00 N ATOM 1139 CA PRO A 72 7.912 -4.470 20.424 1.00 0.00 C ATOM 1140 C PRO A 72 6.586 -5.064 19.965 1.00 0.00 C ATOM 1141 O PRO A 72 6.071 -6.000 20.574 1.00 0.00 O ATOM 1142 CB PRO A 72 7.718 -3.657 21.707 1.00 0.00 C ATOM 1143 CG PRO A 72 7.537 -2.253 21.242 1.00 0.00 C ATOM 1144 CD PRO A 72 8.386 -2.113 20.008 1.00 0.00 C ATOM 0 HA PRO A 72 8.580 -5.323 20.540 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.850 -4.003 22.268 1.00 0.00 H new ATOM 0 HB3 PRO A 72 8.581 -3.747 22.367 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.490 -2.047 21.021 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.846 -1.544 22.011 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.943 -1.421 19.292 1.00 0.00 H new ATOM 0 HD3 PRO A 72 9.380 -1.734 20.245 1.00 0.00 H new ATOM 1152 N GLU A 73 6.039 -4.513 18.885 1.00 0.00 N ATOM 1153 CA GLU A 73 4.770 -4.990 18.345 1.00 0.00 C ATOM 1154 C GLU A 73 4.997 -6.111 17.335 1.00 0.00 C ATOM 1155 O GLU A 73 4.179 -7.021 17.207 1.00 0.00 O ATOM 1156 CB GLU A 73 4.007 -3.840 17.684 1.00 0.00 C ATOM 1157 CG GLU A 73 2.497 -4.006 17.731 1.00 0.00 C ATOM 1158 CD GLU A 73 1.764 -2.863 17.056 1.00 0.00 C ATOM 1159 OE1 GLU A 73 2.411 -2.110 16.297 1.00 0.00 O ATOM 1160 OE2 GLU A 73 0.545 -2.721 17.286 1.00 0.00 O ATOM 0 H GLU A 73 6.454 -3.738 18.368 1.00 0.00 H new ATOM 0 HA GLU A 73 4.177 -5.382 19.171 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.277 -2.906 18.176 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.323 -3.756 16.644 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.223 -4.944 17.248 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.175 -4.076 18.770 1.00 0.00 H new ATOM 1167 N MET A 74 6.115 -6.038 16.618 1.00 0.00 N ATOM 1168 CA MET A 74 6.450 -7.046 15.620 1.00 0.00 C ATOM 1169 C MET A 74 7.961 -7.230 15.518 1.00 0.00 C ATOM 1170 O MET A 74 8.491 -8.287 15.855 1.00 0.00 O ATOM 1171 CB MET A 74 5.880 -6.653 14.255 1.00 0.00 C ATOM 1172 CG MET A 74 5.347 -7.832 13.457 1.00 0.00 C ATOM 1173 SD MET A 74 3.556 -8.002 13.581 1.00 0.00 S ATOM 1174 CE MET A 74 3.421 -9.639 14.295 1.00 0.00 C ATOM 0 H MET A 74 6.803 -5.291 16.710 1.00 0.00 H new ATOM 0 HA MET A 74 6.007 -7.991 15.933 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.077 -5.930 14.400 1.00 0.00 H new ATOM 0 HB3 MET A 74 6.657 -6.154 13.676 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.625 -7.712 12.410 1.00 0.00 H new ATOM 0 HG3 MET A 74 5.820 -8.748 13.810 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.369 -9.890 14.433 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.883 -10.366 13.627 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.929 -9.658 15.259 1.00 0.00 H new ATOM 1184 N GLY A 75 8.649 -6.192 15.052 1.00 0.00 N ATOM 1185 CA GLY A 75 10.093 -6.260 14.915 1.00 0.00 C ATOM 1186 C GLY A 75 10.541 -6.191 13.468 1.00 0.00 C ATOM 1187 O GLY A 75 11.536 -6.809 13.091 1.00 0.00 O ATOM 0 H GLY A 75 8.233 -5.306 14.767 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.547 -5.441 15.472 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.454 -7.187 15.360 1.00 0.00 H new ATOM 1191 N GLU A 76 9.803 -5.440 12.656 1.00 0.00 N ATOM 1192 CA GLU A 76 10.130 -5.295 11.243 1.00 0.00 C ATOM 1193 C GLU A 76 9.601 -3.974 10.693 1.00 0.00 C ATOM 1194 O GLU A 76 9.101 -3.913 9.570 1.00 0.00 O ATOM 1195 CB GLU A 76 9.550 -6.463 10.441 1.00 0.00 C ATOM 1196 CG GLU A 76 10.539 -7.084 9.470 1.00 0.00 C ATOM 1197 CD GLU A 76 10.886 -8.517 9.827 1.00 0.00 C ATOM 1198 OE1 GLU A 76 11.772 -8.715 10.686 1.00 0.00 O ATOM 1199 OE2 GLU A 76 10.274 -9.439 9.250 1.00 0.00 O ATOM 0 H GLU A 76 8.975 -4.923 12.953 1.00 0.00 H new ATOM 0 HA GLU A 76 11.216 -5.299 11.146 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.202 -7.230 11.132 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.679 -6.115 9.886 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.121 -7.055 8.464 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.451 -6.487 9.454 1.00 0.00 H new ATOM 1206 N ILE A 77 9.714 -2.920 11.493 1.00 0.00 N ATOM 1207 CA ILE A 77 9.247 -1.599 11.089 1.00 0.00 C ATOM 1208 C ILE A 77 10.192 -0.972 10.070 1.00 0.00 C ATOM 1209 O ILE A 77 11.263 -0.477 10.423 1.00 0.00 O ATOM 1210 CB ILE A 77 9.113 -0.654 12.298 1.00 0.00 C ATOM 1211 CG1 ILE A 77 8.260 -1.303 13.388 1.00 0.00 C ATOM 1212 CG2 ILE A 77 8.511 0.674 11.867 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.876 -1.697 12.921 1.00 0.00 C ATOM 0 H ILE A 77 10.125 -2.955 12.426 1.00 0.00 H new ATOM 0 HA ILE A 77 8.265 -1.736 10.636 1.00 0.00 H new ATOM 0 HB ILE A 77 10.106 -0.465 12.705 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.774 -2.189 13.761 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.168 -0.612 14.226 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.422 1.331 12.732 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.155 1.140 11.121 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.523 0.504 11.438 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.329 -2.151 13.747 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.343 -0.811 12.575 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.958 -2.413 12.103 1.00 0.00 H new ATOM 1225 N ILE A 78 9.787 -0.995 8.804 1.00 0.00 N ATOM 1226 CA ILE A 78 10.597 -0.426 7.734 1.00 0.00 C ATOM 1227 C ILE A 78 10.625 1.097 7.818 1.00 0.00 C ATOM 1228 O ILE A 78 9.660 1.767 7.452 1.00 0.00 O ATOM 1229 CB ILE A 78 10.069 -0.841 6.348 1.00 0.00 C ATOM 1230 CG1 ILE A 78 9.984 -2.366 6.247 1.00 0.00 C ATOM 1231 CG2 ILE A 78 10.964 -0.283 5.252 1.00 0.00 C ATOM 1232 CD1 ILE A 78 8.571 -2.899 6.339 1.00 0.00 C ATOM 0 H ILE A 78 8.904 -1.401 8.495 1.00 0.00 H new ATOM 0 HA ILE A 78 11.607 -0.815 7.861 1.00 0.00 H new ATOM 0 HB ILE A 78 9.068 -0.430 6.218 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.423 -2.685 5.302 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.583 -2.809 7.042 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.578 -0.585 4.278 1.00 0.00 H new ATOM 0 HG22 ILE A 78 10.981 0.805 5.315 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.976 -0.669 5.377 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.586 -3.986 6.260 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.135 -2.611 7.296 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.972 -2.485 5.528 1.00 0.00 H new ATOM 1244 N GLN A 79 11.741 1.636 8.300 1.00 0.00 N ATOM 1245 CA GLN A 79 11.896 3.081 8.430 1.00 0.00 C ATOM 1246 C GLN A 79 12.145 3.726 7.071 1.00 0.00 C ATOM 1247 O GLN A 79 13.050 3.326 6.338 1.00 0.00 O ATOM 1248 CB GLN A 79 13.050 3.406 9.380 1.00 0.00 C ATOM 1249 CG GLN A 79 13.248 4.896 9.607 1.00 0.00 C ATOM 1250 CD GLN A 79 13.555 5.231 11.053 1.00 0.00 C ATOM 1251 OE1 GLN A 79 12.761 5.882 11.734 1.00 0.00 O ATOM 1252 NE2 GLN A 79 14.711 4.787 11.531 1.00 0.00 N ATOM 0 H GLN A 79 12.550 1.095 8.606 1.00 0.00 H new ATOM 0 HA GLN A 79 10.971 3.486 8.840 1.00 0.00 H new ATOM 0 HB2 GLN A 79 12.868 2.922 10.339 1.00 0.00 H new ATOM 0 HB3 GLN A 79 13.971 2.982 8.979 1.00 0.00 H new ATOM 0 HG2 GLN A 79 14.062 5.251 8.975 1.00 0.00 H new ATOM 0 HG3 GLN A 79 12.349 5.429 9.298 1.00 0.00 H new ATOM 0 HE21 GLN A 79 15.339 4.251 10.932 1.00 0.00 H new ATOM 0 HE22 GLN A 79 14.972 4.981 12.498 1.00 0.00 H new ATOM 1261 N LEU A 80 11.334 4.726 6.738 1.00 0.00 N ATOM 1262 CA LEU A 80 11.465 5.427 5.467 1.00 0.00 C ATOM 1263 C LEU A 80 11.532 6.936 5.681 1.00 0.00 C ATOM 1264 O LEU A 80 10.562 7.554 6.116 1.00 0.00 O ATOM 1265 CB LEU A 80 10.291 5.083 4.550 1.00 0.00 C ATOM 1266 CG LEU A 80 10.623 4.228 3.326 1.00 0.00 C ATOM 1267 CD1 LEU A 80 10.779 2.768 3.721 1.00 0.00 C ATOM 1268 CD2 LEU A 80 9.548 4.381 2.259 1.00 0.00 C ATOM 0 H LEU A 80 10.579 5.068 7.332 1.00 0.00 H new ATOM 0 HA LEU A 80 12.394 5.104 4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.537 4.561 5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.839 6.014 4.206 1.00 0.00 H new ATOM 0 HG LEU A 80 11.570 4.575 2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.015 2.175 2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 80 11.585 2.672 4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.849 2.409 4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.802 3.765 1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.587 4.062 2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.485 5.425 1.954 1.00 0.00 H new ATOM 1280 N GLN A 81 12.685 7.521 5.371 1.00 0.00 N ATOM 1281 CA GLN A 81 12.878 8.957 5.529 1.00 0.00 C ATOM 1282 C GLN A 81 12.841 9.664 4.177 1.00 0.00 C ATOM 1283 O GLN A 81 13.545 9.277 3.245 1.00 0.00 O ATOM 1284 CB GLN A 81 14.208 9.241 6.229 1.00 0.00 C ATOM 1285 CG GLN A 81 14.446 10.716 6.510 1.00 0.00 C ATOM 1286 CD GLN A 81 15.250 10.948 7.775 1.00 0.00 C ATOM 1287 OE1 GLN A 81 15.737 10.002 8.396 1.00 0.00 O ATOM 1288 NE2 GLN A 81 15.393 12.209 8.164 1.00 0.00 N ATOM 0 H GLN A 81 13.498 7.023 5.009 1.00 0.00 H new ATOM 0 HA GLN A 81 12.063 9.341 6.142 1.00 0.00 H new ATOM 0 HB2 GLN A 81 14.238 8.691 7.170 1.00 0.00 H new ATOM 0 HB3 GLN A 81 15.022 8.862 5.612 1.00 0.00 H new ATOM 0 HG2 GLN A 81 14.969 11.163 5.665 1.00 0.00 H new ATOM 0 HG3 GLN A 81 13.486 11.225 6.596 1.00 0.00 H new ATOM 0 HE21 GLN A 81 14.972 12.962 7.619 1.00 0.00 H new ATOM 0 HE22 GLN A 81 15.924 12.425 9.008 1.00 0.00 H new ATOM 1297 N GLY A 82 12.015 10.700 4.079 1.00 0.00 N ATOM 1298 CA GLY A 82 11.903 11.444 2.837 1.00 0.00 C ATOM 1299 C GLY A 82 10.602 12.215 2.740 1.00 0.00 C ATOM 1300 O GLY A 82 9.700 12.031 3.557 1.00 0.00 O ATOM 0 H GLY A 82 11.421 11.038 4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.740 12.138 2.755 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.977 10.755 1.996 1.00 0.00 H new ATOM 1304 N ASP A 83 10.505 13.086 1.742 1.00 0.00 N ATOM 1305 CA ASP A 83 9.305 13.891 1.541 1.00 0.00 C ATOM 1306 C ASP A 83 8.456 13.328 0.407 1.00 0.00 C ATOM 1307 O ASP A 83 7.773 14.070 -0.297 1.00 0.00 O ATOM 1308 CB ASP A 83 9.683 15.343 1.241 1.00 0.00 C ATOM 1309 CG ASP A 83 8.736 16.333 1.887 1.00 0.00 C ATOM 1310 OD1 ASP A 83 7.677 16.620 1.290 1.00 0.00 O ATOM 1311 OD2 ASP A 83 9.053 16.822 2.993 1.00 0.00 O ATOM 0 H ASP A 83 11.244 13.253 1.059 1.00 0.00 H new ATOM 0 HA ASP A 83 8.718 13.859 2.459 1.00 0.00 H new ATOM 0 HB2 ASP A 83 10.697 15.532 1.594 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.686 15.499 0.162 1.00 0.00 H new ATOM 1316 N GLN A 84 8.506 12.011 0.235 1.00 0.00 N ATOM 1317 CA GLN A 84 7.742 11.349 -0.817 1.00 0.00 C ATOM 1318 C GLN A 84 6.796 10.308 -0.229 1.00 0.00 C ATOM 1319 O GLN A 84 6.822 9.140 -0.619 1.00 0.00 O ATOM 1320 CB GLN A 84 8.686 10.687 -1.823 1.00 0.00 C ATOM 1321 CG GLN A 84 9.344 11.670 -2.777 1.00 0.00 C ATOM 1322 CD GLN A 84 8.337 12.540 -3.503 1.00 0.00 C ATOM 1323 OE1 GLN A 84 7.167 12.179 -3.633 1.00 0.00 O ATOM 1324 NE2 GLN A 84 8.787 13.695 -3.981 1.00 0.00 N ATOM 0 H GLN A 84 9.067 11.382 0.810 1.00 0.00 H new ATOM 0 HA GLN A 84 7.148 12.105 -1.330 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.461 10.146 -1.280 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.129 9.950 -2.401 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.033 12.305 -2.220 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.937 11.120 -3.508 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.765 13.955 -3.851 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.155 14.322 -4.478 1.00 0.00 H new ATOM 1333 N ARG A 85 5.963 10.738 0.713 1.00 0.00 N ATOM 1334 CA ARG A 85 5.008 9.842 1.356 1.00 0.00 C ATOM 1335 C ARG A 85 3.996 9.310 0.347 1.00 0.00 C ATOM 1336 O ARG A 85 3.890 8.101 0.137 1.00 0.00 O ATOM 1337 CB ARG A 85 4.281 10.566 2.491 1.00 0.00 C ATOM 1338 CG ARG A 85 3.476 9.640 3.388 1.00 0.00 C ATOM 1339 CD ARG A 85 2.050 10.139 3.566 1.00 0.00 C ATOM 1340 NE ARG A 85 1.281 10.052 2.328 1.00 0.00 N ATOM 1341 CZ ARG A 85 -0.041 10.179 2.273 1.00 0.00 C ATOM 1342 NH1 ARG A 85 -0.735 10.398 3.382 1.00 0.00 N ATOM 1343 NH2 ARG A 85 -0.670 10.087 1.110 1.00 0.00 N ATOM 0 H ARG A 85 5.930 11.701 1.048 1.00 0.00 H new ATOM 0 HA ARG A 85 5.561 8.998 1.768 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.013 11.100 3.098 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.614 11.315 2.064 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.461 8.638 2.959 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.960 9.563 4.362 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.556 9.554 4.342 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.068 11.173 3.909 1.00 0.00 H new ATOM 0 HE ARG A 85 1.786 9.885 1.458 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.254 10.469 4.279 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.749 10.495 3.338 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.140 9.918 0.255 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.685 10.185 1.070 1.00 0.00 H new ATOM 1357 N ALA A 86 3.254 10.221 -0.274 1.00 0.00 N ATOM 1358 CA ALA A 86 2.251 9.843 -1.262 1.00 0.00 C ATOM 1359 C ALA A 86 2.860 8.977 -2.361 1.00 0.00 C ATOM 1360 O ALA A 86 2.169 8.175 -2.989 1.00 0.00 O ATOM 1361 CB ALA A 86 1.608 11.085 -1.862 1.00 0.00 C ATOM 0 H ALA A 86 3.328 11.225 -0.111 1.00 0.00 H new ATOM 0 HA ALA A 86 1.483 9.256 -0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.861 10.788 -2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.129 11.664 -1.073 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.373 11.693 -2.346 1.00 0.00 H new ATOM 1367 N LYS A 87 4.159 9.147 -2.587 1.00 0.00 N ATOM 1368 CA LYS A 87 4.863 8.380 -3.610 1.00 0.00 C ATOM 1369 C LYS A 87 5.098 6.946 -3.149 1.00 0.00 C ATOM 1370 O LYS A 87 4.895 5.998 -3.907 1.00 0.00 O ATOM 1371 CB LYS A 87 6.200 9.046 -3.943 1.00 0.00 C ATOM 1372 CG LYS A 87 6.608 8.893 -5.399 1.00 0.00 C ATOM 1373 CD LYS A 87 5.671 9.653 -6.323 1.00 0.00 C ATOM 1374 CE LYS A 87 6.265 10.987 -6.748 1.00 0.00 C ATOM 1375 NZ LYS A 87 6.420 11.080 -8.226 1.00 0.00 N ATOM 0 H LYS A 87 4.745 9.808 -2.077 1.00 0.00 H new ATOM 0 HA LYS A 87 4.242 8.357 -4.505 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.139 10.107 -3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.977 8.619 -3.309 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.627 9.257 -5.533 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.609 7.837 -5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.461 9.050 -7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.719 9.822 -5.819 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.625 11.797 -6.398 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.237 11.120 -6.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.828 12.004 -8.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.051 10.322 -8.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.490 10.979 -8.680 1.00 0.00 H new ATOM 1389 N VAL A 88 5.526 6.792 -1.900 1.00 0.00 N ATOM 1390 CA VAL A 88 5.786 5.474 -1.337 1.00 0.00 C ATOM 1391 C VAL A 88 4.511 4.640 -1.278 1.00 0.00 C ATOM 1392 O VAL A 88 4.555 3.411 -1.359 1.00 0.00 O ATOM 1393 CB VAL A 88 6.387 5.574 0.077 1.00 0.00 C ATOM 1394 CG1 VAL A 88 6.692 4.191 0.630 1.00 0.00 C ATOM 1395 CG2 VAL A 88 7.638 6.440 0.064 1.00 0.00 C ATOM 0 H VAL A 88 5.700 7.566 -1.259 1.00 0.00 H new ATOM 0 HA VAL A 88 6.506 4.987 -1.995 1.00 0.00 H new ATOM 0 HB VAL A 88 5.653 6.045 0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.116 4.284 1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.772 3.608 0.679 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.407 3.688 -0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.050 6.500 1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.378 6.000 -0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.384 7.441 -0.284 1.00 0.00 H new ATOM 1405 N CYS A 89 3.376 5.315 -1.134 1.00 0.00 N ATOM 1406 CA CYS A 89 2.086 4.638 -1.064 1.00 0.00 C ATOM 1407 C CYS A 89 1.596 4.256 -2.456 1.00 0.00 C ATOM 1408 O CYS A 89 1.003 3.194 -2.647 1.00 0.00 O ATOM 1409 CB CYS A 89 1.055 5.529 -0.372 1.00 0.00 C ATOM 1410 SG CYS A 89 -0.287 4.621 0.432 1.00 0.00 S ATOM 0 H CYS A 89 3.323 6.331 -1.063 1.00 0.00 H new ATOM 0 HA CYS A 89 2.214 3.726 -0.482 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.562 6.141 0.374 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.628 6.211 -1.108 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.106 5.462 0.990 1.00 0.00 H new ATOM 1416 N GLU A 90 1.842 5.132 -3.425 1.00 0.00 N ATOM 1417 CA GLU A 90 1.423 4.887 -4.801 1.00 0.00 C ATOM 1418 C GLU A 90 2.308 3.835 -5.461 1.00 0.00 C ATOM 1419 O GLU A 90 1.847 3.054 -6.294 1.00 0.00 O ATOM 1420 CB GLU A 90 1.466 6.186 -5.608 1.00 0.00 C ATOM 1421 CG GLU A 90 0.783 6.085 -6.962 1.00 0.00 C ATOM 1422 CD GLU A 90 0.111 7.378 -7.376 1.00 0.00 C ATOM 1423 OE1 GLU A 90 -0.843 7.797 -6.689 1.00 0.00 O ATOM 1424 OE2 GLU A 90 0.540 7.973 -8.386 1.00 0.00 O ATOM 0 H GLU A 90 2.329 6.017 -3.283 1.00 0.00 H new ATOM 0 HA GLU A 90 0.399 4.513 -4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.992 6.979 -5.030 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.506 6.478 -5.756 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.519 5.805 -7.716 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.040 5.288 -6.931 1.00 0.00 H new ATOM 1431 N PHE A 91 3.581 3.819 -5.081 1.00 0.00 N ATOM 1432 CA PHE A 91 4.533 2.863 -5.636 1.00 0.00 C ATOM 1433 C PHE A 91 4.403 1.506 -4.953 1.00 0.00 C ATOM 1434 O PHE A 91 4.596 0.462 -5.576 1.00 0.00 O ATOM 1435 CB PHE A 91 5.962 3.389 -5.487 1.00 0.00 C ATOM 1436 CG PHE A 91 6.889 2.919 -6.572 1.00 0.00 C ATOM 1437 CD1 PHE A 91 6.692 3.308 -7.887 1.00 0.00 C ATOM 1438 CD2 PHE A 91 7.959 2.090 -6.276 1.00 0.00 C ATOM 1439 CE1 PHE A 91 7.543 2.877 -8.887 1.00 0.00 C ATOM 1440 CE2 PHE A 91 8.814 1.656 -7.270 1.00 0.00 C ATOM 1441 CZ PHE A 91 8.606 2.052 -8.578 1.00 0.00 C ATOM 0 H PHE A 91 3.978 4.457 -4.391 1.00 0.00 H new ATOM 0 HA PHE A 91 4.309 2.738 -6.695 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.941 4.479 -5.484 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.357 3.075 -4.521 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.864 3.956 -8.134 1.00 0.00 H new ATOM 0 HD2 PHE A 91 8.127 1.779 -5.255 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.377 3.185 -9.909 1.00 0.00 H new ATOM 0 HE2 PHE A 91 9.643 1.009 -7.026 1.00 0.00 H new ATOM 0 HZ PHE A 91 9.274 1.716 -9.357 1.00 0.00 H new ATOM 1451 N MET A 92 4.074 1.529 -3.665 1.00 0.00 N ATOM 1452 CA MET A 92 3.919 0.300 -2.895 1.00 0.00 C ATOM 1453 C MET A 92 2.689 -0.477 -3.354 1.00 0.00 C ATOM 1454 O MET A 92 2.741 -1.696 -3.522 1.00 0.00 O ATOM 1455 CB MET A 92 3.806 0.619 -1.402 1.00 0.00 C ATOM 1456 CG MET A 92 3.517 -0.599 -0.541 1.00 0.00 C ATOM 1457 SD MET A 92 4.169 -0.437 1.133 1.00 0.00 S ATOM 1458 CE MET A 92 5.216 -1.886 1.229 1.00 0.00 C ATOM 0 H MET A 92 3.910 2.384 -3.133 1.00 0.00 H new ATOM 0 HA MET A 92 4.801 -0.318 -3.062 1.00 0.00 H new ATOM 0 HB2 MET A 92 4.735 1.079 -1.066 1.00 0.00 H new ATOM 0 HB3 MET A 92 3.015 1.354 -1.255 1.00 0.00 H new ATOM 0 HG2 MET A 92 2.440 -0.758 -0.493 1.00 0.00 H new ATOM 0 HG3 MET A 92 3.949 -1.482 -1.011 1.00 0.00 H new ATOM 0 HE1 MET A 92 5.405 -2.130 2.274 1.00 0.00 H new ATOM 0 HE2 MET A 92 4.719 -2.727 0.745 1.00 0.00 H new ATOM 0 HE3 MET A 92 6.162 -1.685 0.726 1.00 0.00 H new ATOM 1468 N ILE A 93 1.586 0.235 -3.557 1.00 0.00 N ATOM 1469 CA ILE A 93 0.346 -0.389 -3.998 1.00 0.00 C ATOM 1470 C ILE A 93 0.418 -0.781 -5.470 1.00 0.00 C ATOM 1471 O ILE A 93 -0.037 -1.855 -5.862 1.00 0.00 O ATOM 1472 CB ILE A 93 -0.861 0.545 -3.787 1.00 0.00 C ATOM 1473 CG1 ILE A 93 -0.977 0.938 -2.313 1.00 0.00 C ATOM 1474 CG2 ILE A 93 -2.140 -0.125 -4.266 1.00 0.00 C ATOM 1475 CD1 ILE A 93 -1.887 2.122 -2.073 1.00 0.00 C ATOM 0 H ILE A 93 1.526 1.244 -3.423 1.00 0.00 H new ATOM 0 HA ILE A 93 0.213 -1.285 -3.392 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.708 1.451 -4.374 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.348 0.084 -1.746 1.00 0.00 H new ATOM 0 HG13 ILE A 93 0.016 1.169 -1.928 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.983 0.548 -4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.053 -0.358 -5.327 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.301 -1.045 -3.704 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.921 2.344 -1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.506 2.989 -2.612 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.891 1.887 -2.427 1.00 0.00 H new ATOM 1487 N SER A 94 0.999 0.099 -6.283 1.00 0.00 N ATOM 1488 CA SER A 94 1.132 -0.154 -7.712 1.00 0.00 C ATOM 1489 C SER A 94 2.099 -1.305 -7.973 1.00 0.00 C ATOM 1490 O SER A 94 2.018 -1.975 -9.002 1.00 0.00 O ATOM 1491 CB SER A 94 1.615 1.106 -8.431 1.00 0.00 C ATOM 1492 OG SER A 94 1.661 0.908 -9.834 1.00 0.00 O ATOM 0 H SER A 94 1.384 0.992 -5.975 1.00 0.00 H new ATOM 0 HA SER A 94 0.152 -0.432 -8.099 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.950 1.938 -8.200 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.605 1.379 -8.067 1.00 0.00 H new ATOM 0 HG SER A 94 1.971 1.729 -10.270 1.00 0.00 H new ATOM 1498 N GLN A 95 3.012 -1.527 -7.034 1.00 0.00 N ATOM 1499 CA GLN A 95 3.996 -2.596 -7.162 1.00 0.00 C ATOM 1500 C GLN A 95 3.509 -3.868 -6.478 1.00 0.00 C ATOM 1501 O GLN A 95 3.892 -4.976 -6.859 1.00 0.00 O ATOM 1502 CB GLN A 95 5.335 -2.159 -6.562 1.00 0.00 C ATOM 1503 CG GLN A 95 6.494 -3.069 -6.937 1.00 0.00 C ATOM 1504 CD GLN A 95 6.569 -3.335 -8.428 1.00 0.00 C ATOM 1505 OE1 GLN A 95 6.773 -2.416 -9.223 1.00 0.00 O ATOM 1506 NE2 GLN A 95 6.408 -4.594 -8.815 1.00 0.00 N ATOM 0 H GLN A 95 3.091 -0.981 -6.176 1.00 0.00 H new ATOM 0 HA GLN A 95 4.133 -2.806 -8.223 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.558 -1.145 -6.893 1.00 0.00 H new ATOM 0 HB3 GLN A 95 5.245 -2.128 -5.476 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.428 -2.616 -6.605 1.00 0.00 H new ATOM 0 HG3 GLN A 95 6.393 -4.016 -6.407 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.241 -5.323 -8.122 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.451 -4.832 -9.806 1.00 0.00 H new ATOM 1515 N LEU A 96 2.664 -3.705 -5.467 1.00 0.00 N ATOM 1516 CA LEU A 96 2.124 -4.840 -4.728 1.00 0.00 C ATOM 1517 C LEU A 96 1.016 -5.527 -5.520 1.00 0.00 C ATOM 1518 O LEU A 96 0.738 -6.709 -5.320 1.00 0.00 O ATOM 1519 CB LEU A 96 1.587 -4.383 -3.370 1.00 0.00 C ATOM 1520 CG LEU A 96 2.612 -4.293 -2.239 1.00 0.00 C ATOM 1521 CD1 LEU A 96 2.074 -3.444 -1.098 1.00 0.00 C ATOM 1522 CD2 LEU A 96 2.985 -5.682 -1.745 1.00 0.00 C ATOM 0 H LEU A 96 2.337 -2.796 -5.140 1.00 0.00 H new ATOM 0 HA LEU A 96 2.931 -5.555 -4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.127 -3.403 -3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.798 -5.070 -3.064 1.00 0.00 H new ATOM 0 HG LEU A 96 3.512 -3.815 -2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.817 -3.391 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.860 -2.439 -1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.159 -3.892 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.715 -5.598 -0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.093 -6.188 -1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.414 -6.257 -2.566 1.00 0.00 H new ATOM 1534 N GLY A 97 0.388 -4.779 -6.422 1.00 0.00 N ATOM 1535 CA GLY A 97 -0.681 -5.334 -7.232 1.00 0.00 C ATOM 1536 C GLY A 97 -2.044 -4.796 -6.842 1.00 0.00 C ATOM 1537 O GLY A 97 -3.017 -5.546 -6.762 1.00 0.00 O ATOM 0 H GLY A 97 0.600 -3.799 -6.606 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.492 -5.109 -8.282 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -0.681 -6.420 -7.134 1.00 0.00 H new ATOM 1541 N LEU A 98 -2.114 -3.492 -6.598 1.00 0.00 N ATOM 1542 CA LEU A 98 -3.368 -2.854 -6.212 1.00 0.00 C ATOM 1543 C LEU A 98 -3.863 -3.391 -4.873 1.00 0.00 C ATOM 1544 O LEU A 98 -4.999 -3.853 -4.763 1.00 0.00 O ATOM 1545 CB LEU A 98 -4.431 -3.077 -7.289 1.00 0.00 C ATOM 1546 CG LEU A 98 -5.520 -2.009 -7.390 1.00 0.00 C ATOM 1547 CD1 LEU A 98 -5.824 -1.693 -8.847 1.00 0.00 C ATOM 1548 CD2 LEU A 98 -6.780 -2.461 -6.666 1.00 0.00 C ATOM 0 H LEU A 98 -1.319 -2.857 -6.660 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.185 -1.784 -6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.931 -3.150 -8.255 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.910 -4.039 -7.105 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.156 -1.100 -6.910 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.601 -0.931 -8.899 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.922 -1.325 -9.335 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.167 -2.596 -9.351 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.544 -1.688 -6.749 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.147 -3.384 -7.116 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.553 -2.636 -5.614 1.00 0.00 H new ATOM 1560 N GLN A 99 -3.006 -3.326 -3.860 1.00 0.00 N ATOM 1561 CA GLN A 99 -3.359 -3.806 -2.529 1.00 0.00 C ATOM 1562 C GLN A 99 -3.911 -2.673 -1.670 1.00 0.00 C ATOM 1563 O GLN A 99 -3.197 -1.727 -1.337 1.00 0.00 O ATOM 1564 CB GLN A 99 -2.138 -4.427 -1.849 1.00 0.00 C ATOM 1565 CG GLN A 99 -2.490 -5.363 -0.702 1.00 0.00 C ATOM 1566 CD GLN A 99 -2.944 -6.728 -1.182 1.00 0.00 C ATOM 1567 OE1 GLN A 99 -4.135 -7.041 -1.160 1.00 0.00 O ATOM 1568 NE2 GLN A 99 -1.996 -7.548 -1.618 1.00 0.00 N ATOM 0 H GLN A 99 -2.062 -2.946 -3.935 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.133 -4.566 -2.638 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.560 -4.977 -2.591 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.497 -3.630 -1.473 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -1.621 -5.480 -0.054 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.279 -4.913 -0.100 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -1.022 -7.247 -1.618 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -2.242 -8.480 -1.953 1.00 0.00 H new ATOM 1577 N LYS A 100 -5.188 -2.773 -1.318 1.00 0.00 N ATOM 1578 CA LYS A 100 -5.839 -1.758 -0.499 1.00 0.00 C ATOM 1579 C LYS A 100 -6.950 -2.371 0.346 1.00 0.00 C ATOM 1580 O LYS A 100 -7.829 -1.665 0.843 1.00 0.00 O ATOM 1581 CB LYS A 100 -6.409 -0.647 -1.382 1.00 0.00 C ATOM 1582 CG LYS A 100 -5.806 0.720 -1.108 1.00 0.00 C ATOM 1583 CD LYS A 100 -6.882 1.770 -0.883 1.00 0.00 C ATOM 1584 CE LYS A 100 -6.301 3.175 -0.903 1.00 0.00 C ATOM 1585 NZ LYS A 100 -7.361 4.210 -1.060 1.00 0.00 N ATOM 0 H LYS A 100 -5.794 -3.548 -1.588 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.090 -1.333 0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.243 -0.905 -2.428 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.488 -0.595 -1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.161 0.665 -0.231 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.177 1.016 -1.948 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.647 1.680 -1.655 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.372 1.591 0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.752 3.354 0.021 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.585 3.261 -1.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.925 5.154 -1.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.869 4.054 -1.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.030 4.145 -0.266 1.00 0.00 H new ATOM 1599 N LYS A 101 -6.907 -3.689 0.506 1.00 0.00 N ATOM 1600 CA LYS A 101 -7.910 -4.399 1.294 1.00 0.00 C ATOM 1601 C LYS A 101 -8.014 -3.811 2.697 1.00 0.00 C ATOM 1602 O LYS A 101 -9.062 -3.891 3.337 1.00 0.00 O ATOM 1603 CB LYS A 101 -7.564 -5.886 1.376 1.00 0.00 C ATOM 1604 CG LYS A 101 -8.343 -6.747 0.397 1.00 0.00 C ATOM 1605 CD LYS A 101 -8.194 -8.226 0.713 1.00 0.00 C ATOM 1606 CE LYS A 101 -9.373 -9.031 0.187 1.00 0.00 C ATOM 1607 NZ LYS A 101 -9.089 -10.492 0.185 1.00 0.00 N ATOM 0 H LYS A 101 -6.188 -4.288 0.101 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.874 -4.284 0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.498 -6.013 1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.755 -6.239 2.389 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.397 -6.472 0.428 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.993 -6.554 -0.617 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.270 -8.602 0.273 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.112 -8.362 1.791 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.251 -8.832 0.801 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.612 -8.706 -0.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -9.916 -11.006 -0.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.266 -10.685 -0.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.886 -10.807 1.155 1.00 0.00 H new ATOM 1621 N ASN A 102 -6.921 -3.220 3.170 1.00 0.00 N ATOM 1622 CA ASN A 102 -6.890 -2.619 4.498 1.00 0.00 C ATOM 1623 C ASN A 102 -5.588 -1.857 4.720 1.00 0.00 C ATOM 1624 O ASN A 102 -4.538 -2.239 4.203 1.00 0.00 O ATOM 1625 CB ASN A 102 -7.055 -3.695 5.572 1.00 0.00 C ATOM 1626 CG ASN A 102 -7.546 -3.128 6.890 1.00 0.00 C ATOM 1627 OD1 ASN A 102 -6.932 -2.224 7.456 1.00 0.00 O ATOM 1628 ND2 ASN A 102 -8.657 -3.658 7.385 1.00 0.00 N ATOM 0 H ASN A 102 -6.045 -3.145 2.653 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.719 -1.915 4.570 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -7.758 -4.450 5.220 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.100 -4.197 5.729 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -9.035 -3.317 8.269 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -9.133 -4.406 6.881 1.00 0.00 H new ATOM 1635 N ILE A 103 -5.664 -0.779 5.494 1.00 0.00 N ATOM 1636 CA ILE A 103 -4.491 0.036 5.786 1.00 0.00 C ATOM 1637 C ILE A 103 -4.533 0.567 7.214 1.00 0.00 C ATOM 1638 O ILE A 103 -5.497 1.215 7.619 1.00 0.00 O ATOM 1639 CB ILE A 103 -4.373 1.223 4.811 1.00 0.00 C ATOM 1640 CG1 ILE A 103 -3.066 1.981 5.053 1.00 0.00 C ATOM 1641 CG2 ILE A 103 -5.567 2.153 4.963 1.00 0.00 C ATOM 1642 CD1 ILE A 103 -2.890 3.184 4.153 1.00 0.00 C ATOM 0 H ILE A 103 -6.525 -0.450 5.930 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.621 -0.609 5.666 1.00 0.00 H new ATOM 0 HB ILE A 103 -4.365 0.838 3.791 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.032 2.307 6.093 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.228 1.300 4.904 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.470 2.987 4.268 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.484 1.606 4.747 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -5.604 2.534 5.984 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.943 3.673 4.380 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -2.892 2.863 3.111 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -3.708 3.885 4.318 1.00 0.00 H new ATOM 1654 N LYS A 104 -3.478 0.289 7.975 1.00 0.00 N ATOM 1655 CA LYS A 104 -3.391 0.740 9.358 1.00 0.00 C ATOM 1656 C LYS A 104 -2.503 1.975 9.472 1.00 0.00 C ATOM 1657 O LYS A 104 -1.284 1.890 9.319 1.00 0.00 O ATOM 1658 CB LYS A 104 -2.844 -0.379 10.248 1.00 0.00 C ATOM 1659 CG LYS A 104 -3.614 -0.553 11.546 1.00 0.00 C ATOM 1660 CD LYS A 104 -3.329 0.580 12.518 1.00 0.00 C ATOM 1661 CE LYS A 104 -4.259 0.528 13.721 1.00 0.00 C ATOM 1662 NZ LYS A 104 -3.935 -0.611 14.625 1.00 0.00 N ATOM 0 H LYS A 104 -2.671 -0.247 7.655 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.395 1.003 9.692 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.866 -1.317 9.693 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.800 -0.170 10.480 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.682 -0.592 11.334 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.345 -1.504 12.005 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.294 0.521 12.854 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.445 1.536 12.008 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.187 1.463 14.276 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.290 0.438 13.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.591 -0.611 15.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -4.028 -1.506 14.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.960 -0.512 14.972 1.00 0.00 H new ATOM 1676 N ILE A 105 -3.121 3.120 9.741 1.00 0.00 N ATOM 1677 CA ILE A 105 -2.386 4.370 9.878 1.00 0.00 C ATOM 1678 C ILE A 105 -2.328 4.818 11.336 1.00 0.00 C ATOM 1679 O ILE A 105 -3.324 4.748 12.057 1.00 0.00 O ATOM 1680 CB ILE A 105 -3.019 5.492 9.033 1.00 0.00 C ATOM 1681 CG1 ILE A 105 -3.330 4.984 7.624 1.00 0.00 C ATOM 1682 CG2 ILE A 105 -2.094 6.699 8.975 1.00 0.00 C ATOM 1683 CD1 ILE A 105 -3.980 6.023 6.737 1.00 0.00 C ATOM 0 H ILE A 105 -4.129 3.207 9.868 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.375 4.181 9.518 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.953 5.798 9.504 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -2.405 4.646 7.156 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.987 4.117 7.696 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.556 7.483 8.374 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.918 7.071 9.984 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.145 6.409 8.525 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.172 5.593 5.754 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.921 6.344 7.183 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.316 6.881 6.635 1.00 0.00 H new ATOM 1695 N HIS A 106 -1.157 5.281 11.762 1.00 0.00 N ATOM 1696 CA HIS A 106 -0.970 5.743 13.133 1.00 0.00 C ATOM 1697 C HIS A 106 -1.321 7.222 13.259 1.00 0.00 C ATOM 1698 O HIS A 106 -0.879 8.046 12.460 1.00 0.00 O ATOM 1699 CB HIS A 106 0.472 5.508 13.580 1.00 0.00 C ATOM 1700 CG HIS A 106 0.594 4.600 14.764 1.00 0.00 C ATOM 1701 ND1 HIS A 106 1.493 4.812 15.787 1.00 0.00 N ATOM 1702 CD2 HIS A 106 -0.081 3.471 15.085 1.00 0.00 C ATOM 1703 CE1 HIS A 106 1.367 3.852 16.687 1.00 0.00 C ATOM 1704 NE2 HIS A 106 0.419 3.027 16.285 1.00 0.00 N ATOM 0 H HIS A 106 -0.323 5.346 11.178 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.639 5.173 13.778 1.00 0.00 H new ATOM 0 HB2 HIS A 106 1.036 5.085 12.749 1.00 0.00 H new ATOM 0 HB3 HIS A 106 0.930 6.468 13.820 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -0.866 3.007 14.506 1.00 0.00 H new ATOM 0 HE1 HIS A 106 1.942 3.759 17.596 1.00 0.00 H new ATOM 0 HE2 HIS A 106 0.108 2.194 16.785 1.00 0.00 H new ATOM 1712 N GLY A 107 -2.121 7.551 14.270 1.00 0.00 N ATOM 1713 CA GLY A 107 -2.517 8.931 14.483 1.00 0.00 C ATOM 1714 C GLY A 107 -1.825 9.555 15.678 1.00 0.00 C ATOM 1715 O GLY A 107 -2.394 9.625 16.767 1.00 0.00 O ATOM 0 H GLY A 107 -2.501 6.887 14.944 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.289 9.513 13.590 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -3.596 8.978 14.627 1.00 0.00 H new ATOM 1719 N PHE A 108 -0.593 10.011 15.474 1.00 0.00 N ATOM 1720 CA PHE A 108 0.178 10.631 16.545 1.00 0.00 C ATOM 1721 C PHE A 108 1.072 11.740 15.998 1.00 0.00 C ATOM 1722 O PHE A 108 2.010 12.181 16.665 1.00 0.00 O ATOM 1723 CB PHE A 108 1.029 9.582 17.262 1.00 0.00 C ATOM 1724 CG PHE A 108 1.085 9.771 18.751 1.00 0.00 C ATOM 1725 CD1 PHE A 108 0.090 9.252 19.565 1.00 0.00 C ATOM 1726 CD2 PHE A 108 2.130 10.465 19.337 1.00 0.00 C ATOM 1727 CE1 PHE A 108 0.138 9.426 20.936 1.00 0.00 C ATOM 1728 CE2 PHE A 108 2.184 10.641 20.707 1.00 0.00 C ATOM 1729 CZ PHE A 108 1.187 10.120 21.508 1.00 0.00 C ATOM 0 H PHE A 108 -0.108 9.963 14.578 1.00 0.00 H new ATOM 0 HA PHE A 108 -0.522 11.069 17.257 1.00 0.00 H new ATOM 0 HB2 PHE A 108 0.630 8.591 17.044 1.00 0.00 H new ATOM 0 HB3 PHE A 108 2.042 9.612 16.862 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -0.731 8.706 19.124 1.00 0.00 H new ATOM 0 HD2 PHE A 108 2.913 10.874 18.716 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -0.644 9.019 21.560 1.00 0.00 H new ATOM 0 HE2 PHE A 108 3.005 11.185 21.150 1.00 0.00 H new ATOM 0 HZ PHE A 108 1.227 10.255 22.579 1.00 0.00 H new