USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 564 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 72 ASN :FLIP amide:sc= -0.206 F(o=-1.3,f=-0.6) USER MOD Set 1.2: A 73 ASN :FLIP amide:sc= -0.396 F(o=-1.5,f=-0.6) USER MOD Single : A 33 HIS : no HD1:sc= -0.0376 X(o=-0.038,f=-0.14) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.226 K(o=-0.23,f=-2.8!) USER MOD Single : A 51 LYS NZ :NH3+ -133:sc= -0.12 (180deg=-1.06) USER MOD Single : A 54 THR OG1 : rot -125:sc= 0.743 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.245 K(o=-0.24,f=-5.7!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -156:sc= 0.362! USER MOD Single : A 85 CYS SG : rot -124:sc= -1.11 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HE2:sc= -2.51 X(o=-2.5,f=-2.6) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.042) USER MOD ----------------------------------------------------------------- ATOM 367 N LEU A 29 8.826 -9.474 6.281 1.00 0.00 N ATOM 368 CA LEU A 29 9.237 -8.201 6.861 1.00 0.00 C ATOM 369 C LEU A 29 9.879 -8.411 8.230 1.00 0.00 C ATOM 370 O LEU A 29 9.409 -7.882 9.237 1.00 0.00 O ATOM 371 CB LEU A 29 8.036 -7.262 6.984 1.00 0.00 C ATOM 372 CG LEU A 29 7.364 -6.892 5.660 1.00 0.00 C ATOM 373 CD1 LEU A 29 5.977 -6.320 5.908 1.00 0.00 C ATOM 374 CD2 LEU A 29 8.222 -5.900 4.888 1.00 0.00 C ATOM 0 HA LEU A 29 9.975 -7.748 6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.294 -7.729 7.632 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.360 -6.346 7.478 1.00 0.00 H new ATOM 0 HG LEU A 29 7.260 -7.796 5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.514 -6.062 4.955 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.364 -7.061 6.421 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.057 -5.426 6.526 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.730 -5.647 3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.357 -4.996 5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.195 -6.345 4.679 1.00 0.00 H new ATOM 386 N PHE A 30 10.959 -9.186 8.258 1.00 0.00 N ATOM 387 CA PHE A 30 11.668 -9.466 9.500 1.00 0.00 C ATOM 388 C PHE A 30 12.696 -8.379 9.797 1.00 0.00 C ATOM 389 O PHE A 30 12.981 -8.080 10.957 1.00 0.00 O ATOM 390 CB PHE A 30 12.357 -10.829 9.425 1.00 0.00 C ATOM 391 CG PHE A 30 13.160 -11.029 8.172 1.00 0.00 C ATOM 392 CD1 PHE A 30 14.454 -10.544 8.077 1.00 0.00 C ATOM 393 CD2 PHE A 30 12.620 -11.704 7.088 1.00 0.00 C ATOM 394 CE1 PHE A 30 15.195 -10.728 6.925 1.00 0.00 C ATOM 395 CE2 PHE A 30 13.356 -11.891 5.934 1.00 0.00 C ATOM 396 CZ PHE A 30 14.645 -11.402 5.852 1.00 0.00 C ATOM 0 H PHE A 30 11.362 -9.631 7.433 1.00 0.00 H new ATOM 0 HA PHE A 30 10.938 -9.481 10.309 1.00 0.00 H new ATOM 0 HB2 PHE A 30 13.012 -10.943 10.289 1.00 0.00 H new ATOM 0 HB3 PHE A 30 11.602 -11.612 9.492 1.00 0.00 H new ATOM 0 HD1 PHE A 30 14.889 -10.016 8.913 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.612 -12.088 7.146 1.00 0.00 H new ATOM 0 HE1 PHE A 30 16.203 -10.345 6.864 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.924 -12.419 5.097 1.00 0.00 H new ATOM 0 HZ PHE A 30 15.222 -11.546 4.951 1.00 0.00 H new ATOM 406 N ASP A 31 13.249 -7.791 8.742 1.00 0.00 N ATOM 407 CA ASP A 31 14.245 -6.737 8.889 1.00 0.00 C ATOM 408 C ASP A 31 13.587 -5.419 9.287 1.00 0.00 C ATOM 409 O ASP A 31 14.185 -4.602 9.987 1.00 0.00 O ATOM 410 CB ASP A 31 15.029 -6.560 7.585 1.00 0.00 C ATOM 411 CG ASP A 31 16.441 -7.103 7.682 1.00 0.00 C ATOM 412 OD1 ASP A 31 17.281 -6.459 8.346 1.00 0.00 O ATOM 413 OD2 ASP A 31 16.708 -8.172 7.095 1.00 0.00 O ATOM 0 H ASP A 31 13.024 -8.027 7.775 1.00 0.00 H new ATOM 0 HA ASP A 31 14.935 -7.030 9.680 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.503 -7.066 6.776 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.066 -5.502 7.327 1.00 0.00 H new ATOM 418 N PHE A 32 12.354 -5.218 8.834 1.00 0.00 N ATOM 419 CA PHE A 32 11.616 -3.999 9.143 1.00 0.00 C ATOM 420 C PHE A 32 11.000 -4.074 10.536 1.00 0.00 C ATOM 421 O PHE A 32 10.478 -5.113 10.941 1.00 0.00 O ATOM 422 CB PHE A 32 10.521 -3.764 8.101 1.00 0.00 C ATOM 423 CG PHE A 32 11.044 -3.264 6.785 1.00 0.00 C ATOM 424 CD1 PHE A 32 11.245 -1.908 6.574 1.00 0.00 C ATOM 425 CD2 PHE A 32 11.335 -4.148 5.759 1.00 0.00 C ATOM 426 CE1 PHE A 32 11.727 -1.445 5.365 1.00 0.00 C ATOM 427 CE2 PHE A 32 11.817 -3.691 4.547 1.00 0.00 C ATOM 428 CZ PHE A 32 12.013 -2.337 4.349 1.00 0.00 C ATOM 0 H PHE A 32 11.845 -5.883 8.252 1.00 0.00 H new ATOM 0 HA PHE A 32 12.316 -3.164 9.120 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.980 -4.696 7.938 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.804 -3.044 8.495 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.022 -1.206 7.364 1.00 0.00 H new ATOM 0 HD2 PHE A 32 11.183 -5.207 5.908 1.00 0.00 H new ATOM 0 HE1 PHE A 32 11.880 -0.387 5.214 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.040 -4.391 3.755 1.00 0.00 H new ATOM 0 HZ PHE A 32 12.389 -1.977 3.403 1.00 0.00 H new ATOM 438 N HIS A 33 11.064 -2.965 11.266 1.00 0.00 N ATOM 439 CA HIS A 33 10.514 -2.903 12.615 1.00 0.00 C ATOM 440 C HIS A 33 9.464 -1.802 12.724 1.00 0.00 C ATOM 441 O HIS A 33 9.430 -0.880 11.908 1.00 0.00 O ATOM 442 CB HIS A 33 11.629 -2.663 13.633 1.00 0.00 C ATOM 443 CG HIS A 33 12.463 -3.875 13.906 1.00 0.00 C ATOM 444 ND1 HIS A 33 11.942 -5.125 14.153 1.00 0.00 N ATOM 445 CD2 HIS A 33 13.812 -4.014 13.965 1.00 0.00 C ATOM 446 CE1 HIS A 33 12.966 -5.966 14.353 1.00 0.00 C ATOM 447 NE2 HIS A 33 14.124 -5.341 14.248 1.00 0.00 N ATOM 0 H HIS A 33 11.492 -2.096 10.945 1.00 0.00 H new ATOM 0 HA HIS A 33 10.036 -3.859 12.830 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.274 -1.863 13.271 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.188 -2.318 14.568 1.00 0.00 H new ATOM 0 HD2 HIS A 33 14.530 -3.221 13.816 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.858 -7.018 14.572 1.00 0.00 H new ATOM 0 HE2 HIS A 33 15.054 -5.746 14.353 1.00 0.00 H new ATOM 455 N ILE A 34 8.609 -1.904 13.736 1.00 0.00 N ATOM 456 CA ILE A 34 7.558 -0.917 13.952 1.00 0.00 C ATOM 457 C ILE A 34 8.131 0.382 14.509 1.00 0.00 C ATOM 458 O ILE A 34 8.852 0.376 15.506 1.00 0.00 O ATOM 459 CB ILE A 34 6.481 -1.445 14.918 1.00 0.00 C ATOM 460 CG1 ILE A 34 6.025 -2.843 14.494 1.00 0.00 C ATOM 461 CG2 ILE A 34 5.298 -0.489 14.968 1.00 0.00 C ATOM 462 CD1 ILE A 34 5.438 -2.891 13.100 1.00 0.00 C ATOM 0 H ILE A 34 8.623 -2.661 14.420 1.00 0.00 H new ATOM 0 HA ILE A 34 7.101 -0.724 12.981 1.00 0.00 H new ATOM 0 HB ILE A 34 6.912 -1.511 15.917 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.874 -3.524 14.545 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.282 -3.205 15.205 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.546 -0.877 15.655 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.635 0.489 15.313 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.865 -0.394 13.972 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.137 -3.912 12.867 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.569 -2.236 13.049 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.185 -2.560 12.379 1.00 0.00 H new ATOM 474 N GLY A 35 7.803 1.494 13.859 1.00 0.00 N ATOM 475 CA GLY A 35 8.293 2.785 14.307 1.00 0.00 C ATOM 476 C GLY A 35 9.462 3.280 13.478 1.00 0.00 C ATOM 477 O GLY A 35 10.340 3.977 13.987 1.00 0.00 O ATOM 0 H GLY A 35 7.208 1.525 13.031 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.484 3.514 14.260 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.597 2.713 15.351 1.00 0.00 H new ATOM 481 N ASP A 36 9.473 2.922 12.199 1.00 0.00 N ATOM 482 CA ASP A 36 10.543 3.335 11.298 1.00 0.00 C ATOM 483 C ASP A 36 9.976 3.861 9.984 1.00 0.00 C ATOM 484 O ASP A 36 8.848 3.541 9.611 1.00 0.00 O ATOM 485 CB ASP A 36 11.490 2.165 11.026 1.00 0.00 C ATOM 486 CG ASP A 36 12.835 2.621 10.496 1.00 0.00 C ATOM 487 OD1 ASP A 36 13.676 3.059 11.309 1.00 0.00 O ATOM 488 OD2 ASP A 36 13.048 2.540 9.268 1.00 0.00 O ATOM 0 H ASP A 36 8.753 2.346 11.762 1.00 0.00 H new ATOM 0 HA ASP A 36 11.099 4.139 11.780 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.638 1.599 11.946 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.029 1.488 10.306 1.00 0.00 H new ATOM 493 N ARG A 37 10.767 4.669 9.286 1.00 0.00 N ATOM 494 CA ARG A 37 10.344 5.241 8.012 1.00 0.00 C ATOM 495 C ARG A 37 10.504 4.227 6.883 1.00 0.00 C ATOM 496 O ARG A 37 11.458 3.449 6.864 1.00 0.00 O ATOM 497 CB ARG A 37 11.150 6.503 7.703 1.00 0.00 C ATOM 498 CG ARG A 37 10.363 7.790 7.895 1.00 0.00 C ATOM 499 CD ARG A 37 10.172 8.111 9.369 1.00 0.00 C ATOM 500 NE ARG A 37 11.441 8.384 10.039 1.00 0.00 N ATOM 501 CZ ARG A 37 11.600 8.365 11.360 1.00 0.00 C ATOM 502 NH1 ARG A 37 10.575 8.086 12.156 1.00 0.00 N ATOM 503 NH2 ARG A 37 12.789 8.624 11.888 1.00 0.00 N ATOM 0 H ARG A 37 11.704 4.943 9.581 1.00 0.00 H new ATOM 0 HA ARG A 37 9.289 5.505 8.091 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.032 6.527 8.344 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.505 6.454 6.674 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.885 8.613 7.407 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.390 7.698 7.412 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.516 8.975 9.470 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.675 7.275 9.861 1.00 0.00 H new ATOM 0 HE ARG A 37 12.252 8.602 9.461 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.659 7.884 11.756 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.704 8.073 13.168 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.581 8.838 11.281 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.911 8.610 12.901 1.00 0.00 H new ATOM 517 N VAL A 38 9.565 4.245 5.942 1.00 0.00 N ATOM 518 CA VAL A 38 9.603 3.329 4.808 1.00 0.00 C ATOM 519 C VAL A 38 9.091 4.002 3.539 1.00 0.00 C ATOM 520 O VAL A 38 8.292 4.938 3.600 1.00 0.00 O ATOM 521 CB VAL A 38 8.765 2.064 5.078 1.00 0.00 C ATOM 522 CG1 VAL A 38 9.487 1.142 6.048 1.00 0.00 C ATOM 523 CG2 VAL A 38 7.390 2.438 5.609 1.00 0.00 C ATOM 0 H VAL A 38 8.769 4.883 5.943 1.00 0.00 H new ATOM 0 HA VAL A 38 10.646 3.043 4.669 1.00 0.00 H new ATOM 0 HB VAL A 38 8.632 1.530 4.137 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.880 0.254 6.226 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.446 0.846 5.623 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.653 1.664 6.991 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.813 1.532 5.794 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.499 2.995 6.539 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.872 3.055 4.875 1.00 0.00 H new ATOM 533 N LEU A 39 9.556 3.520 2.391 1.00 0.00 N ATOM 534 CA LEU A 39 9.146 4.074 1.106 1.00 0.00 C ATOM 535 C LEU A 39 8.332 3.056 0.313 1.00 0.00 C ATOM 536 O LEU A 39 8.847 2.010 -0.084 1.00 0.00 O ATOM 537 CB LEU A 39 10.375 4.502 0.299 1.00 0.00 C ATOM 538 CG LEU A 39 10.140 5.656 -0.678 1.00 0.00 C ATOM 539 CD1 LEU A 39 9.621 6.881 0.059 1.00 0.00 C ATOM 540 CD2 LEU A 39 11.420 5.985 -1.429 1.00 0.00 C ATOM 0 H LEU A 39 10.217 2.746 2.325 1.00 0.00 H new ATOM 0 HA LEU A 39 8.521 4.947 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.164 4.789 0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.741 3.641 -0.261 1.00 0.00 H new ATOM 0 HG LEU A 39 9.386 5.348 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.460 7.692 -0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.680 6.637 0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.351 7.193 0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.235 6.808 -2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.194 6.274 -0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.749 5.109 -1.988 1.00 0.00 H new ATOM 552 N ILE A 40 7.060 3.366 0.089 1.00 0.00 N ATOM 553 CA ILE A 40 6.178 2.474 -0.656 1.00 0.00 C ATOM 554 C ILE A 40 6.409 2.600 -2.158 1.00 0.00 C ATOM 555 O ILE A 40 6.105 3.631 -2.758 1.00 0.00 O ATOM 556 CB ILE A 40 4.695 2.760 -0.349 1.00 0.00 C ATOM 557 CG1 ILE A 40 4.463 2.807 1.163 1.00 0.00 C ATOM 558 CG2 ILE A 40 3.807 1.706 -0.993 1.00 0.00 C ATOM 559 CD1 ILE A 40 3.212 3.561 1.558 1.00 0.00 C ATOM 0 H ILE A 40 6.617 4.226 0.412 1.00 0.00 H new ATOM 0 HA ILE A 40 6.416 1.459 -0.338 1.00 0.00 H new ATOM 0 HB ILE A 40 4.435 3.732 -0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.399 1.788 1.545 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.325 3.273 1.641 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.763 1.922 -0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.954 1.717 -2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.067 0.723 -0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.110 3.554 2.643 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.281 4.590 1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.342 3.082 1.109 1.00 0.00 H new ATOM 571 N GLY A 41 6.949 1.545 -2.758 1.00 0.00 N ATOM 572 CA GLY A 41 7.213 1.556 -4.184 1.00 0.00 C ATOM 573 C GLY A 41 8.287 2.555 -4.572 1.00 0.00 C ATOM 574 O GLY A 41 8.379 2.957 -5.732 1.00 0.00 O ATOM 0 H GLY A 41 7.209 0.682 -2.281 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.518 0.559 -4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.293 1.792 -4.718 1.00 0.00 H new ATOM 578 N ASN A 42 9.103 2.957 -3.601 1.00 0.00 N ATOM 579 CA ASN A 42 10.176 3.913 -3.849 1.00 0.00 C ATOM 580 C ASN A 42 9.627 5.205 -4.450 1.00 0.00 C ATOM 581 O ASN A 42 10.128 5.695 -5.463 1.00 0.00 O ATOM 582 CB ASN A 42 11.223 3.304 -4.784 1.00 0.00 C ATOM 583 CG ASN A 42 11.933 2.119 -4.161 1.00 0.00 C ATOM 584 OD1 ASN A 42 11.794 0.985 -4.620 1.00 0.00 O ATOM 585 ND2 ASN A 42 12.701 2.375 -3.107 1.00 0.00 N ATOM 0 H ASN A 42 9.041 2.635 -2.635 1.00 0.00 H new ATOM 0 HA ASN A 42 10.646 4.150 -2.895 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.741 2.990 -5.710 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.956 4.065 -5.049 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.203 1.617 -2.646 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.788 3.330 -2.759 1.00 0.00 H new ATOM 592 N VAL A 43 8.593 5.753 -3.819 1.00 0.00 N ATOM 593 CA VAL A 43 7.976 6.987 -4.293 1.00 0.00 C ATOM 594 C VAL A 43 7.081 7.603 -3.220 1.00 0.00 C ATOM 595 O VAL A 43 7.079 8.819 -3.025 1.00 0.00 O ATOM 596 CB VAL A 43 7.146 6.743 -5.568 1.00 0.00 C ATOM 597 CG1 VAL A 43 6.010 5.768 -5.293 1.00 0.00 C ATOM 598 CG2 VAL A 43 6.608 8.057 -6.117 1.00 0.00 C ATOM 0 H VAL A 43 8.165 5.363 -2.979 1.00 0.00 H new ATOM 0 HA VAL A 43 8.785 7.680 -4.524 1.00 0.00 H new ATOM 0 HB VAL A 43 7.798 6.300 -6.321 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.437 5.610 -6.207 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.421 4.817 -4.953 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.358 6.178 -4.522 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.025 7.864 -7.017 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.973 8.531 -5.368 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.440 8.718 -6.359 1.00 0.00 H new ATOM 608 N GLN A 44 6.321 6.758 -2.531 1.00 0.00 N ATOM 609 CA GLN A 44 5.419 7.221 -1.482 1.00 0.00 C ATOM 610 C GLN A 44 6.048 7.044 -0.100 1.00 0.00 C ATOM 611 O GLN A 44 6.042 5.945 0.455 1.00 0.00 O ATOM 612 CB GLN A 44 4.095 6.459 -1.551 1.00 0.00 C ATOM 613 CG GLN A 44 3.139 6.996 -2.603 1.00 0.00 C ATOM 614 CD GLN A 44 1.686 6.861 -2.192 1.00 0.00 C ATOM 615 OE1 GLN A 44 1.362 6.162 -1.232 1.00 0.00 O ATOM 616 NE2 GLN A 44 0.800 7.531 -2.922 1.00 0.00 N ATOM 0 H GLN A 44 6.312 5.749 -2.680 1.00 0.00 H new ATOM 0 HA GLN A 44 5.232 8.283 -1.641 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.300 5.409 -1.760 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.610 6.501 -0.576 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.364 8.046 -2.791 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.299 6.463 -3.540 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.113 8.099 -3.710 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.193 7.478 -2.695 1.00 0.00 H new ATOM 625 N PRO A 45 6.598 8.127 0.479 1.00 0.00 N ATOM 626 CA PRO A 45 7.227 8.077 1.803 1.00 0.00 C ATOM 627 C PRO A 45 6.205 7.903 2.922 1.00 0.00 C ATOM 628 O PRO A 45 5.048 8.301 2.787 1.00 0.00 O ATOM 629 CB PRO A 45 7.919 9.436 1.919 1.00 0.00 C ATOM 630 CG PRO A 45 7.129 10.336 1.035 1.00 0.00 C ATOM 631 CD PRO A 45 6.650 9.480 -0.106 1.00 0.00 C ATOM 0 HA PRO A 45 7.905 7.229 1.901 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.921 9.793 2.949 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.960 9.380 1.599 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.289 10.773 1.574 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.740 11.163 0.673 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.672 9.800 -0.465 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.332 9.524 -0.955 1.00 0.00 H new ATOM 639 N GLY A 46 6.641 7.306 4.026 1.00 0.00 N ATOM 640 CA GLY A 46 5.751 7.090 5.152 1.00 0.00 C ATOM 641 C GLY A 46 6.437 6.390 6.310 1.00 0.00 C ATOM 642 O GLY A 46 7.657 6.233 6.313 1.00 0.00 O ATOM 0 H GLY A 46 7.594 6.968 4.161 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.361 8.049 5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.897 6.496 4.827 1.00 0.00 H new ATOM 646 N ILE A 47 5.650 5.971 7.295 1.00 0.00 N ATOM 647 CA ILE A 47 6.188 5.286 8.464 1.00 0.00 C ATOM 648 C ILE A 47 5.535 3.920 8.648 1.00 0.00 C ATOM 649 O ILE A 47 4.324 3.771 8.485 1.00 0.00 O ATOM 650 CB ILE A 47 5.984 6.116 9.747 1.00 0.00 C ATOM 651 CG1 ILE A 47 6.484 7.547 9.543 1.00 0.00 C ATOM 652 CG2 ILE A 47 6.699 5.463 10.920 1.00 0.00 C ATOM 653 CD1 ILE A 47 5.718 8.575 10.346 1.00 0.00 C ATOM 0 H ILE A 47 4.637 6.094 7.307 1.00 0.00 H new ATOM 0 HA ILE A 47 7.256 5.157 8.290 1.00 0.00 H new ATOM 0 HB ILE A 47 4.918 6.153 9.970 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.538 7.597 9.815 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.416 7.800 8.485 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.545 6.061 11.818 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.299 4.461 11.078 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.766 5.398 10.705 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.127 9.567 10.152 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.667 8.553 10.057 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.807 8.347 11.408 1.00 0.00 H new ATOM 665 N LEU A 48 6.346 2.925 8.991 1.00 0.00 N ATOM 666 CA LEU A 48 5.849 1.570 9.199 1.00 0.00 C ATOM 667 C LEU A 48 5.100 1.464 10.524 1.00 0.00 C ATOM 668 O LEU A 48 5.708 1.467 11.594 1.00 0.00 O ATOM 669 CB LEU A 48 7.007 0.570 9.172 1.00 0.00 C ATOM 670 CG LEU A 48 6.596 -0.899 9.281 1.00 0.00 C ATOM 671 CD1 LEU A 48 6.048 -1.399 7.954 1.00 0.00 C ATOM 672 CD2 LEU A 48 7.776 -1.750 9.726 1.00 0.00 C ATOM 0 H LEU A 48 7.351 3.032 9.131 1.00 0.00 H new ATOM 0 HA LEU A 48 5.157 1.335 8.391 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.564 0.708 8.246 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.687 0.803 9.991 1.00 0.00 H new ATOM 0 HG LEU A 48 5.809 -0.982 10.031 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.761 -2.446 8.050 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.176 -0.808 7.674 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.814 -1.302 7.184 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.466 -2.792 9.798 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.583 -1.661 8.999 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.125 -1.407 10.700 1.00 0.00 H new ATOM 684 N ARG A 49 3.777 1.369 10.444 1.00 0.00 N ATOM 685 CA ARG A 49 2.946 1.262 11.638 1.00 0.00 C ATOM 686 C ARG A 49 2.524 -0.184 11.879 1.00 0.00 C ATOM 687 O ARG A 49 2.349 -0.608 13.022 1.00 0.00 O ATOM 688 CB ARG A 49 1.709 2.150 11.504 1.00 0.00 C ATOM 689 CG ARG A 49 2.030 3.633 11.412 1.00 0.00 C ATOM 690 CD ARG A 49 2.676 4.143 12.689 1.00 0.00 C ATOM 691 NE ARG A 49 1.777 4.039 13.837 1.00 0.00 N ATOM 692 CZ ARG A 49 2.113 4.393 15.076 1.00 0.00 C ATOM 693 NH1 ARG A 49 3.323 4.874 15.331 1.00 0.00 N ATOM 694 NH2 ARG A 49 1.235 4.266 16.061 1.00 0.00 N ATOM 0 H ARG A 49 3.258 1.364 9.566 1.00 0.00 H new ATOM 0 HA ARG A 49 3.535 1.597 12.492 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.153 1.852 10.615 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.056 1.981 12.360 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.698 3.810 10.569 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.115 4.193 11.217 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.585 3.575 12.888 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.973 5.183 12.554 1.00 0.00 H new ATOM 0 HE ARG A 49 0.838 3.674 13.680 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.001 4.974 14.576 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.575 5.144 16.282 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.303 3.897 15.869 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.491 4.537 17.010 1.00 0.00 H new ATOM 708 N PHE A 50 2.364 -0.936 10.796 1.00 0.00 N ATOM 709 CA PHE A 50 1.961 -2.335 10.889 1.00 0.00 C ATOM 710 C PHE A 50 2.619 -3.163 9.789 1.00 0.00 C ATOM 711 O PHE A 50 3.115 -2.619 8.803 1.00 0.00 O ATOM 712 CB PHE A 50 0.439 -2.457 10.796 1.00 0.00 C ATOM 713 CG PHE A 50 -0.064 -3.862 10.967 1.00 0.00 C ATOM 714 CD1 PHE A 50 -0.271 -4.388 12.232 1.00 0.00 C ATOM 715 CD2 PHE A 50 -0.327 -4.656 9.863 1.00 0.00 C ATOM 716 CE1 PHE A 50 -0.735 -5.681 12.392 1.00 0.00 C ATOM 717 CE2 PHE A 50 -0.790 -5.950 10.017 1.00 0.00 C ATOM 718 CZ PHE A 50 -0.993 -6.462 11.283 1.00 0.00 C ATOM 0 H PHE A 50 2.507 -0.601 9.843 1.00 0.00 H new ATOM 0 HA PHE A 50 2.289 -2.719 11.855 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.015 -1.822 11.557 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.111 -2.078 9.828 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.068 -3.782 13.102 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.169 -4.260 8.871 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.895 -6.079 13.383 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.992 -6.559 9.148 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.353 -7.473 11.406 1.00 0.00 H new ATOM 728 N LYS A 51 2.620 -4.480 9.966 1.00 0.00 N ATOM 729 CA LYS A 51 3.216 -5.382 8.987 1.00 0.00 C ATOM 730 C LYS A 51 2.967 -6.838 9.367 1.00 0.00 C ATOM 731 O LYS A 51 3.566 -7.355 10.310 1.00 0.00 O ATOM 732 CB LYS A 51 4.718 -5.122 8.871 1.00 0.00 C ATOM 733 CG LYS A 51 5.418 -4.987 10.215 1.00 0.00 C ATOM 734 CD LYS A 51 6.359 -6.154 10.475 1.00 0.00 C ATOM 735 CE LYS A 51 6.950 -6.091 11.874 1.00 0.00 C ATOM 736 NZ LYS A 51 5.938 -6.409 12.919 1.00 0.00 N ATOM 0 H LYS A 51 2.215 -4.946 10.778 1.00 0.00 H new ATOM 0 HA LYS A 51 2.747 -5.192 8.022 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.177 -5.937 8.312 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.877 -4.211 8.295 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.979 -4.053 10.241 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.674 -4.934 11.010 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.820 -7.093 10.348 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.163 -6.146 9.739 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.782 -6.792 11.949 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.355 -5.095 12.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.990 -5.702 13.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.987 -6.394 12.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.128 -7.353 13.311 1.00 0.00 H new ATOM 750 N GLY A 52 2.079 -7.494 8.627 1.00 0.00 N ATOM 751 CA GLY A 52 1.767 -8.885 8.902 1.00 0.00 C ATOM 752 C GLY A 52 0.538 -9.362 8.153 1.00 0.00 C ATOM 753 O GLY A 52 -0.032 -8.624 7.348 1.00 0.00 O ATOM 0 H GLY A 52 1.570 -7.088 7.842 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.620 -9.506 8.628 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.609 -9.014 9.973 1.00 0.00 H new ATOM 757 N GLU A 53 0.129 -10.598 8.418 1.00 0.00 N ATOM 758 CA GLU A 53 -1.040 -11.173 7.762 1.00 0.00 C ATOM 759 C GLU A 53 -2.318 -10.479 8.225 1.00 0.00 C ATOM 760 O GLU A 53 -2.480 -10.178 9.407 1.00 0.00 O ATOM 761 CB GLU A 53 -1.128 -12.672 8.052 1.00 0.00 C ATOM 762 CG GLU A 53 -0.077 -13.495 7.327 1.00 0.00 C ATOM 763 CD GLU A 53 0.299 -14.756 8.080 1.00 0.00 C ATOM 764 OE1 GLU A 53 0.668 -14.650 9.268 1.00 0.00 O ATOM 765 OE2 GLU A 53 0.224 -15.850 7.482 1.00 0.00 O ATOM 0 H GLU A 53 0.589 -11.221 9.082 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.933 -11.023 6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.026 -12.832 9.125 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.117 -13.031 7.769 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.450 -13.764 6.339 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.815 -12.887 7.176 1.00 0.00 H new ATOM 772 N THR A 54 -3.222 -10.230 7.283 1.00 0.00 N ATOM 773 CA THR A 54 -4.487 -9.573 7.593 1.00 0.00 C ATOM 774 C THR A 54 -5.652 -10.548 7.464 1.00 0.00 C ATOM 775 O THR A 54 -5.460 -11.719 7.137 1.00 0.00 O ATOM 776 CB THR A 54 -4.703 -8.375 6.667 1.00 0.00 C ATOM 777 OG1 THR A 54 -4.593 -8.765 5.309 1.00 0.00 O ATOM 778 CG2 THR A 54 -3.719 -7.250 6.903 1.00 0.00 C ATOM 0 H THR A 54 -3.102 -10.473 6.300 1.00 0.00 H new ATOM 0 HA THR A 54 -4.443 -9.223 8.624 1.00 0.00 H new ATOM 0 HB THR A 54 -5.705 -8.012 6.894 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.917 -8.212 4.864 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.929 -6.433 6.213 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.814 -6.893 7.928 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.705 -7.613 6.738 1.00 0.00 H new ATOM 786 N SER A 55 -6.859 -10.057 7.721 1.00 0.00 N ATOM 787 CA SER A 55 -8.056 -10.887 7.634 1.00 0.00 C ATOM 788 C SER A 55 -8.781 -10.657 6.312 1.00 0.00 C ATOM 789 O SER A 55 -9.251 -11.602 5.678 1.00 0.00 O ATOM 790 CB SER A 55 -8.996 -10.590 8.803 1.00 0.00 C ATOM 791 OG SER A 55 -9.928 -11.641 8.989 1.00 0.00 O ATOM 0 H SER A 55 -7.035 -9.089 7.991 1.00 0.00 H new ATOM 0 HA SER A 55 -7.748 -11.931 7.683 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.415 -10.450 9.714 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.528 -9.657 8.618 1.00 0.00 H new ATOM 0 HG SER A 55 -10.516 -11.427 9.743 1.00 0.00 H new ATOM 797 N PHE A 56 -8.868 -9.396 5.902 1.00 0.00 N ATOM 798 CA PHE A 56 -9.536 -9.043 4.654 1.00 0.00 C ATOM 799 C PHE A 56 -8.818 -9.661 3.459 1.00 0.00 C ATOM 800 O PHE A 56 -9.442 -9.998 2.453 1.00 0.00 O ATOM 801 CB PHE A 56 -9.596 -7.522 4.497 1.00 0.00 C ATOM 802 CG PHE A 56 -8.272 -6.844 4.703 1.00 0.00 C ATOM 803 CD1 PHE A 56 -7.357 -6.753 3.667 1.00 0.00 C ATOM 804 CD2 PHE A 56 -7.943 -6.299 5.934 1.00 0.00 C ATOM 805 CE1 PHE A 56 -6.138 -6.129 3.853 1.00 0.00 C ATOM 806 CE2 PHE A 56 -6.725 -5.675 6.127 1.00 0.00 C ATOM 807 CZ PHE A 56 -5.821 -5.588 5.085 1.00 0.00 C ATOM 0 H PHE A 56 -8.485 -8.602 6.415 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.551 -9.439 4.689 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -9.966 -7.282 3.500 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.316 -7.120 5.210 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.599 -7.175 2.703 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.646 -6.363 6.751 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.434 -6.064 3.037 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.480 -5.256 7.092 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.870 -5.099 5.233 1.00 0.00 H new ATOM 817 N ALA A 57 -7.502 -9.807 3.577 1.00 0.00 N ATOM 818 CA ALA A 57 -6.698 -10.385 2.507 1.00 0.00 C ATOM 819 C ALA A 57 -5.570 -11.243 3.070 1.00 0.00 C ATOM 820 O ALA A 57 -5.160 -11.070 4.218 1.00 0.00 O ATOM 821 CB ALA A 57 -6.136 -9.287 1.619 1.00 0.00 C ATOM 0 H ALA A 57 -6.970 -9.533 4.403 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.343 -11.028 1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.538 -9.732 0.824 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.956 -8.718 1.181 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.511 -8.622 2.214 1.00 0.00 H new ATOM 827 N LYS A 58 -5.073 -12.167 2.255 1.00 0.00 N ATOM 828 CA LYS A 58 -3.991 -13.052 2.672 1.00 0.00 C ATOM 829 C LYS A 58 -2.635 -12.481 2.273 1.00 0.00 C ATOM 830 O LYS A 58 -2.512 -11.805 1.251 1.00 0.00 O ATOM 831 CB LYS A 58 -4.175 -14.440 2.057 1.00 0.00 C ATOM 832 CG LYS A 58 -3.656 -15.569 2.933 1.00 0.00 C ATOM 833 CD LYS A 58 -2.226 -15.941 2.575 1.00 0.00 C ATOM 834 CE LYS A 58 -2.125 -16.457 1.149 1.00 0.00 C ATOM 835 NZ LYS A 58 -1.183 -17.605 1.039 1.00 0.00 N ATOM 0 H LYS A 58 -5.402 -12.323 1.302 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.022 -13.136 3.758 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.234 -14.603 1.859 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.663 -14.473 1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.704 -15.270 3.980 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.299 -16.442 2.821 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.582 -15.070 2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.863 -16.703 3.265 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.112 -16.763 0.803 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.793 -15.651 0.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.143 -17.927 0.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.235 -17.307 1.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.513 -18.384 1.644 1.00 0.00 H new ATOM 849 N GLY A 59 -1.619 -12.757 3.084 1.00 0.00 N ATOM 850 CA GLY A 59 -0.286 -12.264 2.798 1.00 0.00 C ATOM 851 C GLY A 59 0.119 -11.122 3.708 1.00 0.00 C ATOM 852 O GLY A 59 -0.706 -10.585 4.447 1.00 0.00 O ATOM 0 H GLY A 59 -1.696 -13.314 3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.430 -13.079 2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.240 -11.932 1.761 1.00 0.00 H new ATOM 856 N PHE A 60 1.393 -10.748 3.654 1.00 0.00 N ATOM 857 CA PHE A 60 1.908 -9.661 4.479 1.00 0.00 C ATOM 858 C PHE A 60 1.344 -8.318 4.023 1.00 0.00 C ATOM 859 O PHE A 60 1.327 -8.014 2.830 1.00 0.00 O ATOM 860 CB PHE A 60 3.437 -9.633 4.425 1.00 0.00 C ATOM 861 CG PHE A 60 4.093 -10.258 5.624 1.00 0.00 C ATOM 862 CD1 PHE A 60 4.327 -9.513 6.769 1.00 0.00 C ATOM 863 CD2 PHE A 60 4.475 -11.589 5.605 1.00 0.00 C ATOM 864 CE1 PHE A 60 4.930 -10.085 7.873 1.00 0.00 C ATOM 865 CE2 PHE A 60 5.078 -12.168 6.705 1.00 0.00 C ATOM 866 CZ PHE A 60 5.306 -11.414 7.841 1.00 0.00 C ATOM 0 H PHE A 60 2.088 -11.182 3.047 1.00 0.00 H new ATOM 0 HA PHE A 60 1.592 -9.836 5.507 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.770 -10.153 3.527 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.770 -8.599 4.337 1.00 0.00 H new ATOM 0 HD1 PHE A 60 4.035 -8.474 6.799 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.299 -12.182 4.719 1.00 0.00 H new ATOM 0 HE1 PHE A 60 5.107 -9.494 8.759 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.371 -13.207 6.677 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.778 -11.863 8.702 1.00 0.00 H new ATOM 876 N TRP A 61 0.885 -7.520 4.980 1.00 0.00 N ATOM 877 CA TRP A 61 0.322 -6.209 4.680 1.00 0.00 C ATOM 878 C TRP A 61 0.876 -5.151 5.627 1.00 0.00 C ATOM 879 O TRP A 61 0.524 -5.114 6.806 1.00 0.00 O ATOM 880 CB TRP A 61 -1.204 -6.252 4.779 1.00 0.00 C ATOM 881 CG TRP A 61 -1.861 -6.875 3.586 1.00 0.00 C ATOM 882 CD1 TRP A 61 -2.428 -8.114 3.516 1.00 0.00 C ATOM 883 CD2 TRP A 61 -2.018 -6.286 2.289 1.00 0.00 C ATOM 884 NE1 TRP A 61 -2.928 -8.333 2.255 1.00 0.00 N ATOM 885 CE2 TRP A 61 -2.689 -7.226 1.484 1.00 0.00 C ATOM 886 CE3 TRP A 61 -1.657 -5.057 1.732 1.00 0.00 C ATOM 887 CZ2 TRP A 61 -3.006 -6.973 0.151 1.00 0.00 C ATOM 888 CZ3 TRP A 61 -1.972 -4.807 0.408 1.00 0.00 C ATOM 889 CH2 TRP A 61 -2.641 -5.761 -0.369 1.00 0.00 C ATOM 0 H TRP A 61 0.892 -7.758 5.972 1.00 0.00 H new ATOM 0 HA TRP A 61 0.605 -5.943 3.662 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.487 -6.809 5.672 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.581 -5.237 4.903 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.477 -8.819 4.332 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.400 -9.182 1.944 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -1.141 -4.315 2.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.521 -7.707 -0.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -1.697 -3.860 -0.034 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -2.874 -5.536 -1.399 1.00 0.00 H new ATOM 900 N ALA A 62 1.745 -4.293 5.104 1.00 0.00 N ATOM 901 CA ALA A 62 2.349 -3.235 5.905 1.00 0.00 C ATOM 902 C ALA A 62 1.534 -1.949 5.825 1.00 0.00 C ATOM 903 O ALA A 62 1.298 -1.419 4.739 1.00 0.00 O ATOM 904 CB ALA A 62 3.780 -2.984 5.454 1.00 0.00 C ATOM 0 H ALA A 62 2.047 -4.309 4.130 1.00 0.00 H new ATOM 0 HA ALA A 62 2.358 -3.562 6.945 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.219 -2.192 6.060 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.364 -3.897 5.572 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.784 -2.683 4.406 1.00 0.00 H new ATOM 910 N GLY A 63 1.108 -1.451 6.980 1.00 0.00 N ATOM 911 CA GLY A 63 0.326 -0.229 7.019 1.00 0.00 C ATOM 912 C GLY A 63 1.192 1.006 7.161 1.00 0.00 C ATOM 913 O GLY A 63 1.372 1.525 8.262 1.00 0.00 O ATOM 0 H GLY A 63 1.290 -1.872 7.891 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.267 -0.151 6.108 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.375 -0.276 7.852 1.00 0.00 H new ATOM 917 N VAL A 64 1.731 1.476 6.042 1.00 0.00 N ATOM 918 CA VAL A 64 2.586 2.656 6.041 1.00 0.00 C ATOM 919 C VAL A 64 1.770 3.928 6.254 1.00 0.00 C ATOM 920 O VAL A 64 0.643 4.041 5.772 1.00 0.00 O ATOM 921 CB VAL A 64 3.372 2.779 4.722 1.00 0.00 C ATOM 922 CG1 VAL A 64 4.397 3.899 4.813 1.00 0.00 C ATOM 923 CG2 VAL A 64 4.042 1.458 4.376 1.00 0.00 C ATOM 0 H VAL A 64 1.590 1.057 5.123 1.00 0.00 H new ATOM 0 HA VAL A 64 3.289 2.537 6.865 1.00 0.00 H new ATOM 0 HB VAL A 64 2.672 3.025 3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.942 3.971 3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.888 4.843 5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.096 3.688 5.622 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.593 1.563 3.441 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.731 1.179 5.174 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.283 0.683 4.265 1.00 0.00 H new ATOM 933 N GLU A 65 2.348 4.880 6.977 1.00 0.00 N ATOM 934 CA GLU A 65 1.676 6.145 7.253 1.00 0.00 C ATOM 935 C GLU A 65 2.284 7.275 6.427 1.00 0.00 C ATOM 936 O GLU A 65 3.332 7.817 6.775 1.00 0.00 O ATOM 937 CB GLU A 65 1.769 6.481 8.743 1.00 0.00 C ATOM 938 CG GLU A 65 0.554 7.224 9.274 1.00 0.00 C ATOM 939 CD GLU A 65 0.926 8.349 10.220 1.00 0.00 C ATOM 940 OE1 GLU A 65 1.416 8.055 11.331 1.00 0.00 O ATOM 941 OE2 GLU A 65 0.728 9.526 9.849 1.00 0.00 O ATOM 0 H GLU A 65 3.280 4.800 7.383 1.00 0.00 H new ATOM 0 HA GLU A 65 0.627 6.039 6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.896 5.558 9.308 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.659 7.086 8.916 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.013 7.631 8.437 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.100 6.521 9.790 1.00 0.00 H new ATOM 948 N LEU A 66 1.616 7.623 5.332 1.00 0.00 N ATOM 949 CA LEU A 66 2.090 8.687 4.455 1.00 0.00 C ATOM 950 C LEU A 66 2.007 10.042 5.150 1.00 0.00 C ATOM 951 O LEU A 66 0.991 10.378 5.759 1.00 0.00 O ATOM 952 CB LEU A 66 1.272 8.713 3.162 1.00 0.00 C ATOM 953 CG LEU A 66 1.106 7.357 2.474 1.00 0.00 C ATOM 954 CD1 LEU A 66 0.157 7.472 1.292 1.00 0.00 C ATOM 955 CD2 LEU A 66 2.457 6.819 2.025 1.00 0.00 C ATOM 0 H LEU A 66 0.746 7.184 5.031 1.00 0.00 H new ATOM 0 HA LEU A 66 3.134 8.486 4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.283 9.114 3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.747 9.402 2.463 1.00 0.00 H new ATOM 0 HG LEU A 66 0.678 6.656 3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.051 6.498 0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.818 7.814 1.640 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.557 8.187 0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.320 5.854 1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.912 7.518 1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.107 6.699 2.892 1.00 0.00 H new ATOM 967 N ASP A 67 3.082 10.818 5.054 1.00 0.00 N ATOM 968 CA ASP A 67 3.129 12.138 5.672 1.00 0.00 C ATOM 969 C ASP A 67 2.030 13.039 5.117 1.00 0.00 C ATOM 970 O ASP A 67 1.512 13.907 5.820 1.00 0.00 O ATOM 971 CB ASP A 67 4.497 12.783 5.442 1.00 0.00 C ATOM 972 CG ASP A 67 5.618 12.014 6.112 1.00 0.00 C ATOM 973 OD1 ASP A 67 6.034 10.972 5.563 1.00 0.00 O ATOM 974 OD2 ASP A 67 6.081 12.453 7.185 1.00 0.00 O ATOM 0 H ASP A 67 3.932 10.556 4.554 1.00 0.00 H new ATOM 0 HA ASP A 67 2.967 12.016 6.743 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.691 12.844 4.371 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.483 13.804 5.822 1.00 0.00 H new ATOM 979 N LYS A 68 1.678 12.824 3.854 1.00 0.00 N ATOM 980 CA LYS A 68 0.639 13.615 3.205 1.00 0.00 C ATOM 981 C LYS A 68 -0.618 12.779 2.976 1.00 0.00 C ATOM 982 O LYS A 68 -0.562 11.550 2.964 1.00 0.00 O ATOM 983 CB LYS A 68 1.147 14.168 1.873 1.00 0.00 C ATOM 984 CG LYS A 68 2.031 15.395 2.020 1.00 0.00 C ATOM 985 CD LYS A 68 3.067 15.473 0.911 1.00 0.00 C ATOM 986 CE LYS A 68 3.256 16.902 0.425 1.00 0.00 C ATOM 987 NZ LYS A 68 4.141 16.970 -0.770 1.00 0.00 N ATOM 0 H LYS A 68 2.097 12.109 3.260 1.00 0.00 H new ATOM 0 HA LYS A 68 0.386 14.447 3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.706 13.388 1.355 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.293 14.419 1.244 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.413 16.293 2.006 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.533 15.369 2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.018 15.081 1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.758 14.842 0.078 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.285 17.334 0.183 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.682 17.505 1.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.244 17.961 -1.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.076 16.581 -0.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.722 16.416 -1.544 1.00 0.00 H new ATOM 1001 N PRO A 69 -1.774 13.438 2.793 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.048 12.749 2.564 1.00 0.00 C ATOM 1003 C PRO A 69 -3.118 12.104 1.184 1.00 0.00 C ATOM 1004 O PRO A 69 -3.849 12.565 0.307 1.00 0.00 O ATOM 1005 CB PRO A 69 -4.083 13.869 2.687 1.00 0.00 C ATOM 1006 CG PRO A 69 -3.343 15.108 2.318 1.00 0.00 C ATOM 1007 CD PRO A 69 -1.930 14.906 2.793 1.00 0.00 C ATOM 0 HA PRO A 69 -3.202 11.930 3.267 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.930 13.701 2.022 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -4.481 13.932 3.700 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.372 15.274 1.241 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.791 15.984 2.787 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.211 15.386 2.129 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.777 15.326 3.787 1.00 0.00 H new ATOM 1015 N GLU A 70 -2.354 11.032 0.999 1.00 0.00 N ATOM 1016 CA GLU A 70 -2.329 10.322 -0.275 1.00 0.00 C ATOM 1017 C GLU A 70 -2.992 8.955 -0.148 1.00 0.00 C ATOM 1018 O GLU A 70 -3.589 8.451 -1.100 1.00 0.00 O ATOM 1019 CB GLU A 70 -0.888 10.158 -0.762 1.00 0.00 C ATOM 1020 CG GLU A 70 -0.348 11.380 -1.485 1.00 0.00 C ATOM 1021 CD GLU A 70 -0.507 11.286 -2.990 1.00 0.00 C ATOM 1022 OE1 GLU A 70 0.100 10.376 -3.596 1.00 0.00 O ATOM 1023 OE2 GLU A 70 -1.237 12.120 -3.565 1.00 0.00 O ATOM 0 H GLU A 70 -1.744 10.636 1.715 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.887 10.911 -1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.247 9.939 0.092 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.834 9.298 -1.430 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.865 12.269 -1.124 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.707 11.504 -1.242 1.00 0.00 H new ATOM 1030 N GLY A 71 -2.884 8.358 1.035 1.00 0.00 N ATOM 1031 CA GLY A 71 -3.478 7.054 1.264 1.00 0.00 C ATOM 1032 C GLY A 71 -4.992 7.084 1.187 1.00 0.00 C ATOM 1033 O GLY A 71 -5.585 8.124 0.901 1.00 0.00 O ATOM 0 H GLY A 71 -2.396 8.754 1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.094 6.349 0.527 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.174 6.687 2.245 1.00 0.00 H new ATOM 1037 N ASN A 72 -5.618 5.940 1.441 1.00 0.00 N ATOM 1038 CA ASN A 72 -7.071 5.838 1.399 1.00 0.00 C ATOM 1039 C ASN A 72 -7.597 5.054 2.597 1.00 0.00 C ATOM 1040 O ASN A 72 -8.616 4.369 2.504 1.00 0.00 O ATOM 1041 CB ASN A 72 -7.519 5.168 0.100 1.00 0.00 C ATOM 1042 CG ASN A 72 -6.783 3.869 -0.165 1.00 0.00 C ATOM 1043 OD1 ASN A 72 -5.557 3.974 -0.665 1.00 0.00 O flip ATOM 1044 ND2 ASN A 72 -7.309 2.783 0.079 1.00 0.00 N flip ATOM 0 H ASN A 72 -5.141 5.070 1.678 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.482 6.847 1.440 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.590 4.972 0.146 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.355 5.851 -0.733 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.253 2.749 0.463 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.800 1.918 -0.103 1.00 0.00 H new ATOM 1051 N ASN A 73 -6.894 5.156 3.720 1.00 0.00 N ATOM 1052 CA ASN A 73 -7.289 4.456 4.936 1.00 0.00 C ATOM 1053 C ASN A 73 -6.832 5.219 6.175 1.00 0.00 C ATOM 1054 O ASN A 73 -5.998 6.121 6.088 1.00 0.00 O ATOM 1055 CB ASN A 73 -6.703 3.043 4.949 1.00 0.00 C ATOM 1056 CG ASN A 73 -7.441 2.103 4.015 1.00 0.00 C ATOM 1057 OD1 ASN A 73 -6.929 1.953 2.799 1.00 0.00 O flip ATOM 1058 ND2 ASN A 73 -8.460 1.518 4.383 1.00 0.00 N flip ATOM 0 H ASN A 73 -6.047 5.717 3.813 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.377 4.391 4.951 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.652 3.086 4.662 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.740 2.646 5.964 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.818 1.663 5.327 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.946 0.889 3.744 1.00 0.00 H new ATOM 1065 N ASN A 74 -7.384 4.854 7.327 1.00 0.00 N ATOM 1066 CA ASN A 74 -7.032 5.504 8.584 1.00 0.00 C ATOM 1067 C ASN A 74 -6.534 4.486 9.606 1.00 0.00 C ATOM 1068 O ASN A 74 -6.693 4.674 10.812 1.00 0.00 O ATOM 1069 CB ASN A 74 -8.237 6.260 9.147 1.00 0.00 C ATOM 1070 CG ASN A 74 -9.485 5.401 9.200 1.00 0.00 C ATOM 1071 OD1 ASN A 74 -9.408 4.181 9.354 1.00 0.00 O ATOM 1072 ND2 ASN A 74 -10.645 6.034 9.071 1.00 0.00 N ATOM 0 H ASN A 74 -8.077 4.111 7.416 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.228 6.212 8.383 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.002 6.617 10.150 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.430 7.139 8.533 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.519 5.508 9.098 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.662 7.046 8.945 1.00 0.00 H new ATOM 1079 N GLY A 75 -5.931 3.408 9.115 1.00 0.00 N ATOM 1080 CA GLY A 75 -5.420 2.377 10.000 1.00 0.00 C ATOM 1081 C GLY A 75 -6.397 1.233 10.185 1.00 0.00 C ATOM 1082 O GLY A 75 -5.991 0.090 10.396 1.00 0.00 O ATOM 0 H GLY A 75 -5.787 3.230 8.121 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.484 1.989 9.598 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.192 2.817 10.971 1.00 0.00 H new ATOM 1086 N THR A 76 -7.688 1.540 10.108 1.00 0.00 N ATOM 1087 CA THR A 76 -8.725 0.529 10.270 1.00 0.00 C ATOM 1088 C THR A 76 -9.226 0.039 8.915 1.00 0.00 C ATOM 1089 O THR A 76 -9.846 0.791 8.162 1.00 0.00 O ATOM 1090 CB THR A 76 -9.892 1.091 11.084 1.00 0.00 C ATOM 1091 OG1 THR A 76 -9.452 2.131 11.939 1.00 0.00 O ATOM 1092 CG2 THR A 76 -10.579 0.051 11.943 1.00 0.00 C ATOM 0 H THR A 76 -8.040 2.481 9.934 1.00 0.00 H new ATOM 0 HA THR A 76 -8.291 -0.316 10.804 1.00 0.00 H new ATOM 0 HB THR A 76 -10.606 1.460 10.348 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.213 2.479 12.450 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.397 0.516 12.494 1.00 0.00 H new ATOM 0 HG22 THR A 76 -10.974 -0.742 11.308 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.862 -0.371 12.647 1.00 0.00 H new ATOM 1100 N TYR A 77 -8.952 -1.225 8.609 1.00 0.00 N ATOM 1101 CA TYR A 77 -9.374 -1.815 7.345 1.00 0.00 C ATOM 1102 C TYR A 77 -10.653 -2.626 7.522 1.00 0.00 C ATOM 1103 O TYR A 77 -10.631 -3.727 8.072 1.00 0.00 O ATOM 1104 CB TYR A 77 -8.266 -2.705 6.777 1.00 0.00 C ATOM 1105 CG TYR A 77 -8.300 -2.827 5.271 1.00 0.00 C ATOM 1106 CD1 TYR A 77 -9.452 -3.238 4.613 1.00 0.00 C ATOM 1107 CD2 TYR A 77 -7.177 -2.532 4.506 1.00 0.00 C ATOM 1108 CE1 TYR A 77 -9.486 -3.350 3.236 1.00 0.00 C ATOM 1109 CE2 TYR A 77 -7.204 -2.642 3.129 1.00 0.00 C ATOM 1110 CZ TYR A 77 -8.360 -3.052 2.499 1.00 0.00 C ATOM 1111 OH TYR A 77 -8.390 -3.163 1.128 1.00 0.00 O ATOM 0 H TYR A 77 -8.439 -1.860 9.220 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.574 -1.004 6.644 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.299 -2.304 7.079 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.349 -3.699 7.216 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.336 -3.474 5.187 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.269 -2.212 4.996 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.390 -3.669 2.740 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.324 -2.408 2.549 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.516 -2.915 0.761 1.00 0.00 H new ATOM 1121 N ASP A 78 -11.767 -2.075 7.053 1.00 0.00 N ATOM 1122 CA ASP A 78 -13.056 -2.748 7.160 1.00 0.00 C ATOM 1123 C ASP A 78 -13.420 -2.998 8.620 1.00 0.00 C ATOM 1124 O ASP A 78 -14.091 -3.977 8.945 1.00 0.00 O ATOM 1125 CB ASP A 78 -13.029 -4.072 6.392 1.00 0.00 C ATOM 1126 CG ASP A 78 -14.223 -4.229 5.471 1.00 0.00 C ATOM 1127 OD1 ASP A 78 -14.186 -3.680 4.350 1.00 0.00 O ATOM 1128 OD2 ASP A 78 -15.197 -4.902 5.871 1.00 0.00 O ATOM 0 H ASP A 78 -11.803 -1.164 6.595 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.815 -2.099 6.723 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.111 -4.131 5.807 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.009 -4.900 7.101 1.00 0.00 H new ATOM 1133 N GLY A 79 -12.972 -2.105 9.498 1.00 0.00 N ATOM 1134 CA GLY A 79 -13.260 -2.246 10.912 1.00 0.00 C ATOM 1135 C GLY A 79 -12.076 -2.777 11.695 1.00 0.00 C ATOM 1136 O GLY A 79 -11.927 -2.487 12.883 1.00 0.00 O ATOM 0 H GLY A 79 -12.415 -1.286 9.254 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.555 -1.278 11.318 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.108 -2.918 11.042 1.00 0.00 H new ATOM 1140 N ILE A 80 -11.230 -3.556 11.030 1.00 0.00 N ATOM 1141 CA ILE A 80 -10.053 -4.129 11.671 1.00 0.00 C ATOM 1142 C ILE A 80 -8.992 -3.063 11.925 1.00 0.00 C ATOM 1143 O ILE A 80 -8.346 -2.581 10.995 1.00 0.00 O ATOM 1144 CB ILE A 80 -9.438 -5.254 10.817 1.00 0.00 C ATOM 1145 CG1 ILE A 80 -10.522 -6.238 10.374 1.00 0.00 C ATOM 1146 CG2 ILE A 80 -8.346 -5.974 11.595 1.00 0.00 C ATOM 1147 CD1 ILE A 80 -11.263 -6.882 11.526 1.00 0.00 C ATOM 0 H ILE A 80 -11.338 -3.805 10.047 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.383 -4.545 12.623 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.990 -4.811 9.927 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.238 -5.716 9.739 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.066 -7.018 9.765 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.921 -6.766 10.978 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.563 -5.265 11.864 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -8.770 -6.408 12.501 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.016 -7.567 11.137 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.559 -7.433 12.149 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.749 -6.110 12.123 1.00 0.00 H new ATOM 1159 N ALA A 81 -8.816 -2.700 13.192 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.833 -1.692 13.568 1.00 0.00 C ATOM 1161 C ALA A 81 -6.415 -2.248 13.481 1.00 0.00 C ATOM 1162 O ALA A 81 -6.157 -3.383 13.882 1.00 0.00 O ATOM 1163 CB ALA A 81 -8.115 -1.181 14.973 1.00 0.00 C ATOM 0 H ALA A 81 -9.342 -3.089 13.975 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.913 -0.862 12.867 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.374 -0.429 15.242 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.110 -0.738 15.006 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.063 -2.010 15.679 1.00 0.00 H new ATOM 1169 N TYR A 82 -5.501 -1.441 12.953 1.00 0.00 N ATOM 1170 CA TYR A 82 -4.109 -1.852 12.812 1.00 0.00 C ATOM 1171 C TYR A 82 -3.173 -0.830 13.451 1.00 0.00 C ATOM 1172 O TYR A 82 -2.237 -1.193 14.163 1.00 0.00 O ATOM 1173 CB TYR A 82 -3.755 -2.030 11.334 1.00 0.00 C ATOM 1174 CG TYR A 82 -4.407 -3.236 10.696 1.00 0.00 C ATOM 1175 CD1 TYR A 82 -3.838 -4.499 10.809 1.00 0.00 C ATOM 1176 CD2 TYR A 82 -5.590 -3.111 9.978 1.00 0.00 C ATOM 1177 CE1 TYR A 82 -4.429 -5.603 10.225 1.00 0.00 C ATOM 1178 CE2 TYR A 82 -6.188 -4.212 9.393 1.00 0.00 C ATOM 1179 CZ TYR A 82 -5.604 -5.454 9.518 1.00 0.00 C ATOM 1180 OH TYR A 82 -6.196 -6.551 8.937 1.00 0.00 O ATOM 0 H TYR A 82 -5.699 -0.499 12.616 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.984 -2.805 13.326 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.052 -1.135 10.788 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.673 -2.118 11.236 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.919 -4.620 11.363 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.049 -2.139 9.875 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -3.973 -6.577 10.322 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.109 -4.099 8.840 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.761 -6.261 8.191 1.00 0.00 H new ATOM 1190 N PHE A 83 -3.432 0.447 13.191 1.00 0.00 N ATOM 1191 CA PHE A 83 -2.611 1.521 13.742 1.00 0.00 C ATOM 1192 C PHE A 83 -3.393 2.828 13.800 1.00 0.00 C ATOM 1193 O PHE A 83 -4.572 2.875 13.446 1.00 0.00 O ATOM 1194 CB PHE A 83 -1.346 1.706 12.902 1.00 0.00 C ATOM 1195 CG PHE A 83 -1.617 1.831 11.429 1.00 0.00 C ATOM 1196 CD1 PHE A 83 -1.929 0.712 10.672 1.00 0.00 C ATOM 1197 CD2 PHE A 83 -1.558 3.064 10.803 1.00 0.00 C ATOM 1198 CE1 PHE A 83 -2.177 0.823 9.317 1.00 0.00 C ATOM 1199 CE2 PHE A 83 -1.806 3.182 9.447 1.00 0.00 C ATOM 1200 CZ PHE A 83 -2.116 2.060 8.704 1.00 0.00 C ATOM 0 H PHE A 83 -4.203 0.764 12.603 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.327 1.244 14.757 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.820 2.598 13.243 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.681 0.859 13.070 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.979 -0.257 11.146 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.316 3.944 11.380 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.418 -0.056 8.738 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.757 4.150 8.970 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.310 2.149 7.645 1.00 0.00 H new ATOM 1210 N GLU A 84 -2.730 3.888 14.250 1.00 0.00 N ATOM 1211 CA GLU A 84 -3.363 5.198 14.354 1.00 0.00 C ATOM 1212 C GLU A 84 -2.786 6.165 13.326 1.00 0.00 C ATOM 1213 O GLU A 84 -1.573 6.215 13.118 1.00 0.00 O ATOM 1214 CB GLU A 84 -3.179 5.765 15.764 1.00 0.00 C ATOM 1215 CG GLU A 84 -3.841 7.119 15.965 1.00 0.00 C ATOM 1216 CD GLU A 84 -3.431 7.780 17.267 1.00 0.00 C ATOM 1217 OE1 GLU A 84 -2.317 8.343 17.321 1.00 0.00 O ATOM 1218 OE2 GLU A 84 -4.222 7.734 18.231 1.00 0.00 O ATOM 0 H GLU A 84 -1.755 3.866 14.548 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.428 5.076 14.154 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.587 5.059 16.487 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.113 5.856 15.974 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.582 7.773 15.132 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.924 6.996 15.949 1.00 0.00 H new ATOM 1225 N CYS A 85 -3.661 6.932 12.685 1.00 0.00 N ATOM 1226 CA CYS A 85 -3.239 7.897 11.678 1.00 0.00 C ATOM 1227 C CYS A 85 -4.411 8.764 11.229 1.00 0.00 C ATOM 1228 O CYS A 85 -5.528 8.623 11.727 1.00 0.00 O ATOM 1229 CB CYS A 85 -2.633 7.177 10.472 1.00 0.00 C ATOM 1230 SG CYS A 85 -3.792 6.100 9.597 1.00 0.00 S ATOM 0 H CYS A 85 -4.668 6.904 12.846 1.00 0.00 H new ATOM 0 HA CYS A 85 -2.483 8.542 12.126 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.247 7.921 9.775 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.783 6.582 10.807 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.305 4.896 9.536 1.00 0.00 H new ATOM 1236 N LYS A 86 -4.150 9.661 10.283 1.00 0.00 N ATOM 1237 CA LYS A 86 -5.182 10.551 9.767 1.00 0.00 C ATOM 1238 C LYS A 86 -6.317 9.755 9.130 1.00 0.00 C ATOM 1239 O LYS A 86 -6.377 8.531 9.256 1.00 0.00 O ATOM 1240 CB LYS A 86 -4.584 11.520 8.744 1.00 0.00 C ATOM 1241 CG LYS A 86 -4.628 12.975 9.187 1.00 0.00 C ATOM 1242 CD LYS A 86 -3.241 13.500 9.522 1.00 0.00 C ATOM 1243 CE LYS A 86 -3.071 14.944 9.082 1.00 0.00 C ATOM 1244 NZ LYS A 86 -1.760 15.506 9.508 1.00 0.00 N ATOM 0 H LYS A 86 -3.232 9.790 9.859 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.587 11.121 10.603 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.549 11.239 8.551 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.123 11.419 7.802 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.067 13.584 8.396 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.275 13.071 10.059 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.071 13.423 10.596 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.489 12.879 9.035 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.156 15.005 7.997 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.877 15.547 9.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.685 16.493 9.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.688 15.472 10.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.990 14.946 9.089 1.00 0.00 H new ATOM 1258 N GLU A 87 -7.217 10.455 8.447 1.00 0.00 N ATOM 1259 CA GLU A 87 -8.349 9.814 7.791 1.00 0.00 C ATOM 1260 C GLU A 87 -7.906 9.096 6.520 1.00 0.00 C ATOM 1261 O GLU A 87 -8.330 7.973 6.249 1.00 0.00 O ATOM 1262 CB GLU A 87 -9.425 10.849 7.457 1.00 0.00 C ATOM 1263 CG GLU A 87 -10.768 10.236 7.097 1.00 0.00 C ATOM 1264 CD GLU A 87 -11.709 11.232 6.449 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -11.555 12.445 6.704 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -12.599 10.801 5.686 1.00 0.00 O ATOM 0 H GLU A 87 -7.183 11.468 8.334 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.765 9.076 8.478 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.556 11.514 8.311 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.081 11.463 6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.610 9.397 6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.233 9.835 7.998 1.00 0.00 H new ATOM 1273 N LYS A 88 -7.049 9.754 5.745 1.00 0.00 N ATOM 1274 CA LYS A 88 -6.547 9.178 4.503 1.00 0.00 C ATOM 1275 C LYS A 88 -5.033 9.346 4.400 1.00 0.00 C ATOM 1276 O LYS A 88 -4.526 9.947 3.453 1.00 0.00 O ATOM 1277 CB LYS A 88 -7.231 9.834 3.301 1.00 0.00 C ATOM 1278 CG LYS A 88 -8.750 9.771 3.357 1.00 0.00 C ATOM 1279 CD LYS A 88 -9.325 9.025 2.163 1.00 0.00 C ATOM 1280 CE LYS A 88 -10.817 9.276 2.014 1.00 0.00 C ATOM 1281 NZ LYS A 88 -11.245 9.255 0.588 1.00 0.00 N ATOM 0 H LYS A 88 -6.689 10.685 5.955 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.776 8.112 4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -6.921 10.877 3.241 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.889 9.347 2.388 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.060 9.278 4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.156 10.782 3.384 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -8.810 9.338 1.255 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.145 7.956 2.279 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -11.370 8.519 2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -11.068 10.241 2.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -12.269 9.430 0.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.737 9.995 0.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -11.029 8.326 0.174 1.00 0.00 H new ATOM 1295 N HIS A 89 -4.317 8.809 5.382 1.00 0.00 N ATOM 1296 CA HIS A 89 -2.861 8.898 5.405 1.00 0.00 C ATOM 1297 C HIS A 89 -2.231 7.509 5.399 1.00 0.00 C ATOM 1298 O HIS A 89 -1.254 7.262 4.691 1.00 0.00 O ATOM 1299 CB HIS A 89 -2.396 9.677 6.635 1.00 0.00 C ATOM 1300 CG HIS A 89 -2.300 11.154 6.408 1.00 0.00 C ATOM 1301 ND1 HIS A 89 -1.188 11.907 6.712 1.00 0.00 N ATOM 1302 CD2 HIS A 89 -3.208 12.019 5.891 1.00 0.00 C ATOM 1303 CE1 HIS A 89 -1.450 13.179 6.379 1.00 0.00 C ATOM 1304 NE2 HIS A 89 -2.662 13.299 5.876 1.00 0.00 N ATOM 0 H HIS A 89 -4.721 8.307 6.173 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.540 9.426 4.507 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.087 9.488 7.457 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.421 9.301 6.945 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -0.320 11.559 7.118 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -4.197 11.756 5.546 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -0.758 13.998 6.506 1.00 0.00 H new ATOM 1312 N GLY A 90 -2.797 6.605 6.191 1.00 0.00 N ATOM 1313 CA GLY A 90 -2.278 5.252 6.261 1.00 0.00 C ATOM 1314 C GLY A 90 -2.696 4.408 5.073 1.00 0.00 C ATOM 1315 O GLY A 90 -3.861 4.422 4.673 1.00 0.00 O ATOM 0 H GLY A 90 -3.606 6.785 6.786 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.190 5.286 6.314 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.627 4.779 7.179 1.00 0.00 H new ATOM 1319 N ILE A 91 -1.745 3.674 4.507 1.00 0.00 N ATOM 1320 CA ILE A 91 -2.021 2.820 3.357 1.00 0.00 C ATOM 1321 C ILE A 91 -1.340 1.464 3.504 1.00 0.00 C ATOM 1322 O ILE A 91 -0.162 1.384 3.854 1.00 0.00 O ATOM 1323 CB ILE A 91 -1.559 3.483 2.043 1.00 0.00 C ATOM 1324 CG1 ILE A 91 -1.952 2.620 0.842 1.00 0.00 C ATOM 1325 CG2 ILE A 91 -0.055 3.718 2.065 1.00 0.00 C ATOM 1326 CD1 ILE A 91 -2.307 3.425 -0.389 1.00 0.00 C ATOM 0 H ILE A 91 -0.776 3.653 4.825 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.101 2.675 3.319 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.056 4.449 1.949 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.128 1.948 0.602 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.802 1.996 1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.254 4.186 1.130 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.199 4.371 2.900 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.461 2.765 2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.575 2.749 -1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.151 4.077 -0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.451 4.029 -0.688 1.00 0.00 H new ATOM 1338 N PHE A 92 -2.088 0.399 3.234 1.00 0.00 N ATOM 1339 CA PHE A 92 -1.556 -0.955 3.334 1.00 0.00 C ATOM 1340 C PHE A 92 -0.915 -1.388 2.020 1.00 0.00 C ATOM 1341 O PHE A 92 -1.595 -1.531 1.005 1.00 0.00 O ATOM 1342 CB PHE A 92 -2.666 -1.934 3.720 1.00 0.00 C ATOM 1343 CG PHE A 92 -3.301 -1.631 5.047 1.00 0.00 C ATOM 1344 CD1 PHE A 92 -4.299 -0.676 5.150 1.00 0.00 C ATOM 1345 CD2 PHE A 92 -2.900 -2.302 6.191 1.00 0.00 C ATOM 1346 CE1 PHE A 92 -4.885 -0.395 6.370 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -3.482 -2.026 7.414 1.00 0.00 C ATOM 1348 CZ PHE A 92 -4.476 -1.071 7.503 1.00 0.00 C ATOM 0 H PHE A 92 -3.065 0.448 2.944 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.790 -0.960 4.109 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.435 -1.921 2.947 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.256 -2.944 3.745 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.623 -0.145 4.267 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.123 -3.050 6.126 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.662 0.352 6.437 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.160 -2.556 8.298 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.933 -0.853 8.457 1.00 0.00 H new ATOM 1358 N ALA A 93 0.398 -1.595 2.047 1.00 0.00 N ATOM 1359 CA ALA A 93 1.130 -2.012 0.857 1.00 0.00 C ATOM 1360 C ALA A 93 1.891 -3.312 1.109 1.00 0.00 C ATOM 1361 O ALA A 93 2.399 -3.537 2.207 1.00 0.00 O ATOM 1362 CB ALA A 93 2.087 -0.914 0.415 1.00 0.00 C ATOM 0 H ALA A 93 0.976 -1.481 2.880 1.00 0.00 H new ATOM 0 HA ALA A 93 0.409 -2.192 0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.627 -1.238 -0.474 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.523 -0.010 0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.797 -0.707 1.215 1.00 0.00 H new ATOM 1368 N PRO A 94 1.980 -4.188 0.092 1.00 0.00 N ATOM 1369 CA PRO A 94 2.686 -5.468 0.215 1.00 0.00 C ATOM 1370 C PRO A 94 4.124 -5.291 0.693 1.00 0.00 C ATOM 1371 O PRO A 94 4.697 -4.207 0.578 1.00 0.00 O ATOM 1372 CB PRO A 94 2.663 -6.030 -1.209 1.00 0.00 C ATOM 1373 CG PRO A 94 1.499 -5.371 -1.861 1.00 0.00 C ATOM 1374 CD PRO A 94 1.404 -4.001 -1.253 1.00 0.00 C ATOM 0 HA PRO A 94 2.217 -6.121 0.951 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.590 -5.807 -1.737 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.552 -7.114 -1.204 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.639 -5.310 -2.940 1.00 0.00 H new ATOM 0 HG3 PRO A 94 0.584 -5.938 -1.690 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.962 -3.264 -1.831 1.00 0.00 H new ATOM 0 HD3 PRO A 94 0.372 -3.653 -1.204 1.00 0.00 H new ATOM 1382 N PRO A 95 4.731 -6.360 1.237 1.00 0.00 N ATOM 1383 CA PRO A 95 6.112 -6.319 1.733 1.00 0.00 C ATOM 1384 C PRO A 95 7.114 -6.011 0.625 1.00 0.00 C ATOM 1385 O PRO A 95 8.116 -5.333 0.852 1.00 0.00 O ATOM 1386 CB PRO A 95 6.343 -7.731 2.285 1.00 0.00 C ATOM 1387 CG PRO A 95 5.317 -8.579 1.616 1.00 0.00 C ATOM 1388 CD PRO A 95 4.125 -7.691 1.411 1.00 0.00 C ATOM 0 HA PRO A 95 6.252 -5.533 2.475 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.351 -8.082 2.063 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.229 -7.755 3.369 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.687 -8.963 0.665 1.00 0.00 H new ATOM 0 HG3 PRO A 95 5.061 -9.442 2.231 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.546 -7.988 0.537 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.449 -7.718 2.266 1.00 0.00 H new ATOM 1396 N GLN A 96 6.836 -6.513 -0.575 1.00 0.00 N ATOM 1397 CA GLN A 96 7.713 -6.290 -1.719 1.00 0.00 C ATOM 1398 C GLN A 96 7.883 -4.800 -1.993 1.00 0.00 C ATOM 1399 O GLN A 96 8.915 -4.367 -2.508 1.00 0.00 O ATOM 1400 CB GLN A 96 7.153 -6.988 -2.960 1.00 0.00 C ATOM 1401 CG GLN A 96 5.713 -6.614 -3.269 1.00 0.00 C ATOM 1402 CD GLN A 96 5.210 -7.245 -4.553 1.00 0.00 C ATOM 1403 OE1 GLN A 96 5.792 -7.054 -5.622 1.00 0.00 O ATOM 1404 NE2 GLN A 96 4.123 -8.002 -4.455 1.00 0.00 N ATOM 0 H GLN A 96 6.011 -7.076 -0.780 1.00 0.00 H new ATOM 0 HA GLN A 96 8.690 -6.711 -1.483 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.777 -6.740 -3.819 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.218 -8.067 -2.820 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.075 -6.925 -2.442 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.631 -5.530 -3.345 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.673 -8.133 -3.549 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.738 -8.452 -5.286 1.00 0.00 H new ATOM 1413 N LYS A 97 6.867 -4.017 -1.646 1.00 0.00 N ATOM 1414 CA LYS A 97 6.906 -2.574 -1.855 1.00 0.00 C ATOM 1415 C LYS A 97 7.305 -1.849 -0.574 1.00 0.00 C ATOM 1416 O LYS A 97 6.853 -0.734 -0.314 1.00 0.00 O ATOM 1417 CB LYS A 97 5.544 -2.070 -2.336 1.00 0.00 C ATOM 1418 CG LYS A 97 5.005 -2.829 -3.539 1.00 0.00 C ATOM 1419 CD LYS A 97 4.688 -1.894 -4.696 1.00 0.00 C ATOM 1420 CE LYS A 97 3.504 -0.995 -4.377 1.00 0.00 C ATOM 1421 NZ LYS A 97 3.034 -0.248 -5.576 1.00 0.00 N ATOM 0 H LYS A 97 6.006 -4.358 -1.218 1.00 0.00 H new ATOM 0 HA LYS A 97 7.654 -2.363 -2.619 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.828 -2.146 -1.518 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.626 -1.013 -2.590 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.737 -3.570 -3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.105 -3.373 -3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.561 -1.282 -4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.471 -2.479 -5.590 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.687 -1.598 -3.982 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.785 -0.288 -3.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.226 0.353 -5.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.806 0.347 -5.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.741 -0.922 -6.312 1.00 0.00 H new ATOM 1435 N ILE A 98 8.155 -2.488 0.223 1.00 0.00 N ATOM 1436 CA ILE A 98 8.615 -1.901 1.476 1.00 0.00 C ATOM 1437 C ILE A 98 10.130 -1.730 1.480 1.00 0.00 C ATOM 1438 O ILE A 98 10.875 -2.700 1.615 1.00 0.00 O ATOM 1439 CB ILE A 98 8.206 -2.765 2.686 1.00 0.00 C ATOM 1440 CG1 ILE A 98 6.725 -3.137 2.598 1.00 0.00 C ATOM 1441 CG2 ILE A 98 8.497 -2.028 3.985 1.00 0.00 C ATOM 1442 CD1 ILE A 98 5.804 -1.939 2.517 1.00 0.00 C ATOM 0 H ILE A 98 8.539 -3.412 0.024 1.00 0.00 H new ATOM 0 HA ILE A 98 8.140 -0.923 1.559 1.00 0.00 H new ATOM 0 HB ILE A 98 8.793 -3.684 2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.568 -3.765 1.721 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.456 -3.733 3.470 1.00 0.00 H new ATOM 0 HG21 ILE A 98 8.203 -2.650 4.830 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.563 -1.810 4.049 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.934 -1.095 4.008 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.770 -2.278 2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.932 -1.321 3.406 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.046 -1.354 1.630 1.00 0.00 H new ATOM 1454 N SER A 99 10.580 -0.488 1.330 1.00 0.00 N ATOM 1455 CA SER A 99 12.007 -0.188 1.317 1.00 0.00 C ATOM 1456 C SER A 99 12.331 0.949 2.280 1.00 0.00 C ATOM 1457 O SER A 99 11.449 1.708 2.680 1.00 0.00 O ATOM 1458 CB SER A 99 12.456 0.183 -0.097 1.00 0.00 C ATOM 1459 OG SER A 99 11.994 -0.764 -1.045 1.00 0.00 O ATOM 0 H SER A 99 9.977 0.327 1.216 1.00 0.00 H new ATOM 0 HA SER A 99 12.545 -1.079 1.641 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.078 1.173 -0.354 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.544 0.238 -0.134 1.00 0.00 H new ATOM 0 HG SER A 99 12.293 -0.503 -1.941 1.00 0.00 H new ATOM 1465 N HIS A 100 13.602 1.061 2.650 1.00 0.00 N ATOM 1466 CA HIS A 100 14.042 2.107 3.567 1.00 0.00 C ATOM 1467 C HIS A 100 14.205 3.435 2.836 1.00 0.00 C ATOM 1468 O HIS A 100 14.860 3.506 1.796 1.00 0.00 O ATOM 1469 CB HIS A 100 15.361 1.709 4.231 1.00 0.00 C ATOM 1470 CG HIS A 100 15.226 0.571 5.194 1.00 0.00 C ATOM 1471 ND1 HIS A 100 15.086 -0.745 4.812 1.00 0.00 N ATOM 1472 CD2 HIS A 100 15.213 0.569 6.552 1.00 0.00 C ATOM 1473 CE1 HIS A 100 14.993 -1.488 5.923 1.00 0.00 C ATOM 1474 NE2 HIS A 100 15.065 -0.738 7.006 1.00 0.00 N ATOM 0 H HIS A 100 14.346 0.441 2.329 1.00 0.00 H new ATOM 0 HA HIS A 100 13.280 2.228 4.336 1.00 0.00 H new ATOM 0 HB2 HIS A 100 16.080 1.437 3.458 1.00 0.00 H new ATOM 0 HB3 HIS A 100 15.769 2.572 4.756 1.00 0.00 H new ATOM 0 HD2 HIS A 100 15.303 1.443 7.180 1.00 0.00 H new ATOM 0 HE1 HIS A 100 14.874 -2.561 5.931 1.00 0.00 H new ATOM 0 HE2 HIS A 100 15.021 -1.051 7.976 1.00 0.00 H new ATOM 1482 N ILE A 101 13.607 4.486 3.387 1.00 0.00 N ATOM 1483 CA ILE A 101 13.686 5.812 2.786 1.00 0.00 C ATOM 1484 C ILE A 101 15.118 6.345 2.826 1.00 0.00 C ATOM 1485 O ILE A 101 15.770 6.311 3.871 1.00 0.00 O ATOM 1486 CB ILE A 101 12.757 6.811 3.503 1.00 0.00 C ATOM 1487 CG1 ILE A 101 11.340 6.242 3.604 1.00 0.00 C ATOM 1488 CG2 ILE A 101 12.746 8.145 2.771 1.00 0.00 C ATOM 1489 CD1 ILE A 101 10.364 7.168 4.298 1.00 0.00 C ATOM 0 H ILE A 101 13.062 4.445 4.249 1.00 0.00 H new ATOM 0 HA ILE A 101 13.365 5.712 1.749 1.00 0.00 H new ATOM 0 HB ILE A 101 13.136 6.975 4.512 1.00 0.00 H new ATOM 0 HG12 ILE A 101 10.972 6.025 2.601 1.00 0.00 H new ATOM 0 HG13 ILE A 101 11.375 5.295 4.142 1.00 0.00 H new ATOM 0 HG21 ILE A 101 12.085 8.839 3.290 1.00 0.00 H new ATOM 0 HG22 ILE A 101 13.756 8.555 2.746 1.00 0.00 H new ATOM 0 HG23 ILE A 101 12.389 7.998 1.752 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.380 6.700 4.333 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.709 7.365 5.313 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.299 8.107 3.748 1.00 0.00 H new ATOM 1501 N PRO A 102 15.631 6.848 1.688 1.00 0.00 N ATOM 1502 CA PRO A 102 16.992 7.388 1.610 1.00 0.00 C ATOM 1503 C PRO A 102 17.259 8.443 2.677 1.00 0.00 C ATOM 1504 O PRO A 102 16.382 9.241 3.008 1.00 0.00 O ATOM 1505 CB PRO A 102 17.050 8.014 0.214 1.00 0.00 C ATOM 1506 CG PRO A 102 16.024 7.277 -0.575 1.00 0.00 C ATOM 1507 CD PRO A 102 14.929 6.932 0.393 1.00 0.00 C ATOM 0 HA PRO A 102 17.744 6.617 1.777 1.00 0.00 H new ATOM 0 HB2 PRO A 102 16.831 9.081 0.249 1.00 0.00 H new ATOM 0 HB3 PRO A 102 18.041 7.907 -0.227 1.00 0.00 H new ATOM 0 HG2 PRO A 102 15.644 7.891 -1.392 1.00 0.00 H new ATOM 0 HG3 PRO A 102 16.447 6.378 -1.023 1.00 0.00 H new ATOM 0 HD2 PRO A 102 14.150 7.694 0.407 1.00 0.00 H new ATOM 0 HD3 PRO A 102 14.447 5.989 0.135 1.00 0.00 H new