USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 540 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.655 USER MOD Single : A 51 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0309) USER MOD Single : A 61 THR OG1 : rot -127:sc= 0.372 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.928 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.379 K(o=-0.38,f=-5.8!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 30:sc= -0.621 USER MOD Single : A 91 GLN : amide:sc= -0.265 X(o=-0.27,f=0) USER MOD Single : A 92 CYS SG : rot -160:sc= -1.45 USER MOD Single : A 93 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.6!) USER MOD Single : A 95 LYS NZ :NH3+ 161:sc= -0.0225 (180deg=-0.203) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -3.51! C(o=-3.5!,f=-4.2!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 82:sc= 0.127 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 521 N LEU A 39 10.016 -5.963 8.141 1.00 0.00 N ATOM 522 CA LEU A 39 9.242 -4.779 8.495 1.00 0.00 C ATOM 523 C LEU A 39 8.429 -5.019 9.763 1.00 0.00 C ATOM 524 O LEU A 39 8.500 -6.091 10.364 1.00 0.00 O ATOM 525 CB LEU A 39 8.312 -4.389 7.345 1.00 0.00 C ATOM 526 CG LEU A 39 8.987 -4.266 5.978 1.00 0.00 C ATOM 527 CD1 LEU A 39 8.006 -4.601 4.866 1.00 0.00 C ATOM 528 CD2 LEU A 39 9.554 -2.867 5.789 1.00 0.00 C ATOM 0 HA LEU A 39 9.940 -3.962 8.682 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.516 -5.130 7.275 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.840 -3.437 7.587 1.00 0.00 H new ATOM 0 HG LEU A 39 9.810 -4.979 5.934 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.504 -4.508 3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.648 -5.623 4.992 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.162 -3.913 4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.031 -2.797 4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.748 -2.136 5.853 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.290 -2.665 6.567 1.00 0.00 H new ATOM 540 N LYS A 40 7.656 -4.014 10.164 1.00 0.00 N ATOM 541 CA LYS A 40 6.830 -4.117 11.362 1.00 0.00 C ATOM 542 C LYS A 40 5.897 -2.918 11.483 1.00 0.00 C ATOM 543 O LYS A 40 5.943 -1.997 10.668 1.00 0.00 O ATOM 544 CB LYS A 40 7.711 -4.222 12.607 1.00 0.00 C ATOM 545 CG LYS A 40 8.745 -3.111 12.716 1.00 0.00 C ATOM 546 CD LYS A 40 8.508 -2.241 13.940 1.00 0.00 C ATOM 547 CE LYS A 40 9.287 -2.749 15.143 1.00 0.00 C ATOM 548 NZ LYS A 40 9.825 -1.633 15.969 1.00 0.00 N ATOM 0 H LYS A 40 7.585 -3.120 9.678 1.00 0.00 H new ATOM 0 HA LYS A 40 6.224 -5.019 11.279 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.077 -4.205 13.493 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.223 -5.184 12.600 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.743 -3.546 12.767 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.712 -2.493 11.818 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.803 -1.215 13.721 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.444 -2.224 14.175 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.639 -3.375 15.757 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.110 -3.378 14.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.349 -2.022 16.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.463 -1.050 15.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.039 -1.047 16.315 1.00 0.00 H new ATOM 562 N ILE A 41 5.050 -2.934 12.507 1.00 0.00 N ATOM 563 CA ILE A 41 4.106 -1.848 12.737 1.00 0.00 C ATOM 564 C ILE A 41 4.798 -0.640 13.359 1.00 0.00 C ATOM 565 O ILE A 41 5.307 -0.712 14.477 1.00 0.00 O ATOM 566 CB ILE A 41 2.949 -2.290 13.654 1.00 0.00 C ATOM 567 CG1 ILE A 41 2.367 -3.620 13.174 1.00 0.00 C ATOM 568 CG2 ILE A 41 1.870 -1.219 13.700 1.00 0.00 C ATOM 569 CD1 ILE A 41 1.867 -3.582 11.746 1.00 0.00 C ATOM 0 H ILE A 41 4.999 -3.689 13.191 1.00 0.00 H new ATOM 0 HA ILE A 41 3.702 -1.572 11.763 1.00 0.00 H new ATOM 0 HB ILE A 41 3.338 -2.429 14.663 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.129 -4.394 13.263 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.545 -3.906 13.831 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.060 -1.546 14.352 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.294 -0.292 14.086 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.482 -1.050 12.696 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.468 -4.559 11.474 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.082 -2.832 11.655 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.691 -3.328 11.079 1.00 0.00 H new ATOM 581 N GLY A 42 4.813 0.470 12.627 1.00 0.00 N ATOM 582 CA GLY A 42 5.445 1.678 13.125 1.00 0.00 C ATOM 583 C GLY A 42 6.695 2.039 12.347 1.00 0.00 C ATOM 584 O GLY A 42 7.621 2.640 12.893 1.00 0.00 O ATOM 0 H GLY A 42 4.399 0.554 11.699 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.736 2.504 13.072 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.700 1.544 14.176 1.00 0.00 H new ATOM 588 N ASP A 43 6.724 1.672 11.071 1.00 0.00 N ATOM 589 CA ASP A 43 7.870 1.961 10.217 1.00 0.00 C ATOM 590 C ASP A 43 7.431 2.667 8.938 1.00 0.00 C ATOM 591 O ASP A 43 6.402 2.330 8.353 1.00 0.00 O ATOM 592 CB ASP A 43 8.614 0.669 9.871 1.00 0.00 C ATOM 593 CG ASP A 43 9.772 0.400 10.812 1.00 0.00 C ATOM 594 OD1 ASP A 43 10.877 0.923 10.558 1.00 0.00 O ATOM 595 OD2 ASP A 43 9.573 -0.333 11.804 1.00 0.00 O ATOM 0 H ASP A 43 5.966 1.173 10.605 1.00 0.00 H new ATOM 0 HA ASP A 43 8.541 2.623 10.764 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.918 -0.169 9.907 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.987 0.730 8.849 1.00 0.00 H new ATOM 600 N ARG A 44 8.220 3.647 8.509 1.00 0.00 N ATOM 601 CA ARG A 44 7.913 4.401 7.298 1.00 0.00 C ATOM 602 C ARG A 44 8.228 3.579 6.052 1.00 0.00 C ATOM 603 O ARG A 44 9.272 2.933 5.970 1.00 0.00 O ATOM 604 CB ARG A 44 8.701 5.713 7.276 1.00 0.00 C ATOM 605 CG ARG A 44 7.854 6.936 7.590 1.00 0.00 C ATOM 606 CD ARG A 44 8.484 8.208 7.044 1.00 0.00 C ATOM 607 NE ARG A 44 7.691 8.791 5.963 1.00 0.00 N ATOM 608 CZ ARG A 44 6.598 9.523 6.158 1.00 0.00 C ATOM 609 NH1 ARG A 44 6.163 9.765 7.388 1.00 0.00 N ATOM 610 NH2 ARG A 44 5.937 10.016 5.120 1.00 0.00 N ATOM 0 H ARG A 44 9.076 3.938 8.981 1.00 0.00 H new ATOM 0 HA ARG A 44 6.847 4.628 7.299 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.515 5.650 7.998 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.155 5.838 6.293 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.859 6.810 7.163 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.729 7.025 8.669 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.589 8.935 7.849 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.488 7.988 6.680 1.00 0.00 H new ATOM 0 HE ARG A 44 7.994 8.627 5.003 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.668 9.389 8.191 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.324 10.327 7.531 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.267 9.834 4.172 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.099 10.577 5.269 1.00 0.00 H new ATOM 624 N VAL A 45 7.319 3.609 5.083 1.00 0.00 N ATOM 625 CA VAL A 45 7.500 2.868 3.842 1.00 0.00 C ATOM 626 C VAL A 45 7.063 3.697 2.639 1.00 0.00 C ATOM 627 O VAL A 45 6.174 4.542 2.745 1.00 0.00 O ATOM 628 CB VAL A 45 6.709 1.546 3.855 1.00 0.00 C ATOM 629 CG1 VAL A 45 7.347 0.552 4.812 1.00 0.00 C ATOM 630 CG2 VAL A 45 5.255 1.798 4.225 1.00 0.00 C ATOM 0 H VAL A 45 6.449 4.139 5.134 1.00 0.00 H new ATOM 0 HA VAL A 45 8.564 2.644 3.760 1.00 0.00 H new ATOM 0 HB VAL A 45 6.735 1.117 2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.775 -0.376 4.808 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.370 0.349 4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.354 0.969 5.819 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.712 0.853 4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.205 2.250 5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.805 2.472 3.496 1.00 0.00 H new ATOM 640 N LEU A 46 7.693 3.449 1.495 1.00 0.00 N ATOM 641 CA LEU A 46 7.368 4.173 0.272 1.00 0.00 C ATOM 642 C LEU A 46 7.228 3.214 -0.906 1.00 0.00 C ATOM 643 O LEU A 46 8.088 2.363 -1.132 1.00 0.00 O ATOM 644 CB LEU A 46 8.446 5.215 -0.030 1.00 0.00 C ATOM 645 CG LEU A 46 8.130 6.156 -1.194 1.00 0.00 C ATOM 646 CD1 LEU A 46 7.281 7.326 -0.719 1.00 0.00 C ATOM 647 CD2 LEU A 46 9.414 6.654 -1.839 1.00 0.00 C ATOM 0 H LEU A 46 8.431 2.753 1.390 1.00 0.00 H new ATOM 0 HA LEU A 46 6.414 4.679 0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.612 5.813 0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.380 4.697 -0.245 1.00 0.00 H new ATOM 0 HG LEU A 46 7.562 5.602 -1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.066 7.985 -1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.346 6.952 -0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.822 7.881 0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.171 7.322 -2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.008 7.192 -1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.985 5.805 -2.215 1.00 0.00 H new ATOM 659 N VAL A 47 6.138 3.359 -1.653 1.00 0.00 N ATOM 660 CA VAL A 47 5.885 2.507 -2.809 1.00 0.00 C ATOM 661 C VAL A 47 5.586 3.341 -4.052 1.00 0.00 C ATOM 662 O VAL A 47 4.597 4.074 -4.096 1.00 0.00 O ATOM 663 CB VAL A 47 4.709 1.544 -2.549 1.00 0.00 C ATOM 664 CG1 VAL A 47 3.427 2.319 -2.286 1.00 0.00 C ATOM 665 CG2 VAL A 47 4.534 0.585 -3.717 1.00 0.00 C ATOM 0 H VAL A 47 5.416 4.058 -1.478 1.00 0.00 H new ATOM 0 HA VAL A 47 6.790 1.923 -2.979 1.00 0.00 H new ATOM 0 HB VAL A 47 4.937 0.957 -1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.610 1.620 -2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.560 2.956 -1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.191 2.937 -3.153 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.699 -0.086 -3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.332 1.152 -4.626 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.445 0.002 -3.848 1.00 0.00 H new ATOM 675 N GLY A 48 6.446 3.224 -5.057 1.00 0.00 N ATOM 676 CA GLY A 48 6.256 3.974 -6.286 1.00 0.00 C ATOM 677 C GLY A 48 7.080 5.245 -6.323 1.00 0.00 C ATOM 678 O GLY A 48 7.456 5.718 -7.396 1.00 0.00 O ATOM 0 H GLY A 48 7.271 2.624 -5.044 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.524 3.346 -7.136 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.201 4.225 -6.395 1.00 0.00 H new ATOM 682 N GLY A 49 7.360 5.801 -5.149 1.00 0.00 N ATOM 683 CA GLY A 49 8.143 7.021 -5.074 1.00 0.00 C ATOM 684 C GLY A 49 7.285 8.247 -4.832 1.00 0.00 C ATOM 685 O GLY A 49 7.638 9.352 -5.245 1.00 0.00 O ATOM 0 H GLY A 49 7.059 5.429 -4.248 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.876 6.930 -4.272 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.700 7.149 -6.002 1.00 0.00 H new ATOM 689 N THR A 50 6.153 8.052 -4.162 1.00 0.00 N ATOM 690 CA THR A 50 5.242 9.152 -3.866 1.00 0.00 C ATOM 691 C THR A 50 4.326 8.800 -2.698 1.00 0.00 C ATOM 692 O THR A 50 4.270 9.520 -1.702 1.00 0.00 O ATOM 693 CB THR A 50 4.405 9.494 -5.100 1.00 0.00 C ATOM 694 OG1 THR A 50 5.064 9.079 -6.284 1.00 0.00 O ATOM 695 CG2 THR A 50 4.110 10.972 -5.232 1.00 0.00 C ATOM 0 H THR A 50 5.845 7.144 -3.814 1.00 0.00 H new ATOM 0 HA THR A 50 5.839 10.021 -3.588 1.00 0.00 H new ATOM 0 HB THR A 50 3.463 8.963 -4.966 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.512 9.305 -7.062 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.513 11.145 -6.128 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.557 11.312 -4.356 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.046 11.525 -5.307 1.00 0.00 H new ATOM 703 N LYS A 51 3.611 7.688 -2.828 1.00 0.00 N ATOM 704 CA LYS A 51 2.697 7.241 -1.784 1.00 0.00 C ATOM 705 C LYS A 51 3.459 6.879 -0.512 1.00 0.00 C ATOM 706 O LYS A 51 4.165 5.872 -0.466 1.00 0.00 O ATOM 707 CB LYS A 51 1.887 6.036 -2.266 1.00 0.00 C ATOM 708 CG LYS A 51 0.810 6.394 -3.276 1.00 0.00 C ATOM 709 CD LYS A 51 -0.313 5.367 -3.279 1.00 0.00 C ATOM 710 CE LYS A 51 -1.669 6.027 -3.464 1.00 0.00 C ATOM 711 NZ LYS A 51 -1.773 6.725 -4.776 1.00 0.00 N ATOM 0 H LYS A 51 3.647 7.080 -3.646 1.00 0.00 H new ATOM 0 HA LYS A 51 2.016 8.061 -1.558 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.564 5.308 -2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.422 5.554 -1.406 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.404 7.378 -3.043 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.249 6.458 -4.271 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.146 4.646 -4.079 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.302 4.811 -2.341 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.453 5.273 -3.391 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.838 6.741 -2.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.734 7.104 -4.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.087 7.506 -4.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.570 6.053 -5.544 1.00 0.00 H new ATOM 725 N ALA A 52 3.310 7.707 0.517 1.00 0.00 N ATOM 726 CA ALA A 52 3.984 7.475 1.788 1.00 0.00 C ATOM 727 C ALA A 52 2.977 7.242 2.908 1.00 0.00 C ATOM 728 O ALA A 52 2.245 8.151 3.297 1.00 0.00 O ATOM 729 CB ALA A 52 4.890 8.649 2.127 1.00 0.00 C ATOM 0 H ALA A 52 2.728 8.545 0.495 1.00 0.00 H new ATOM 0 HA ALA A 52 4.593 6.577 1.689 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.387 8.462 3.079 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.639 8.769 1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.294 9.559 2.201 1.00 0.00 H new ATOM 735 N GLY A 53 2.945 6.017 3.423 1.00 0.00 N ATOM 736 CA GLY A 53 2.023 5.686 4.495 1.00 0.00 C ATOM 737 C GLY A 53 2.669 4.844 5.577 1.00 0.00 C ATOM 738 O GLY A 53 3.633 4.122 5.318 1.00 0.00 O ATOM 0 H GLY A 53 3.541 5.248 3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.638 6.606 4.936 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.169 5.149 4.082 1.00 0.00 H new ATOM 742 N VAL A 54 2.139 4.935 6.791 1.00 0.00 N ATOM 743 CA VAL A 54 2.669 4.176 7.916 1.00 0.00 C ATOM 744 C VAL A 54 2.106 2.760 7.938 1.00 0.00 C ATOM 745 O VAL A 54 0.956 2.532 7.562 1.00 0.00 O ATOM 746 CB VAL A 54 2.351 4.862 9.258 1.00 0.00 C ATOM 747 CG1 VAL A 54 3.079 4.169 10.399 1.00 0.00 C ATOM 748 CG2 VAL A 54 2.715 6.338 9.203 1.00 0.00 C ATOM 0 H VAL A 54 1.342 5.528 7.021 1.00 0.00 H new ATOM 0 HA VAL A 54 3.750 4.133 7.785 1.00 0.00 H new ATOM 0 HB VAL A 54 1.279 4.782 9.440 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.842 4.668 11.338 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.764 3.127 10.452 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.154 4.215 10.226 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.483 6.806 10.160 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.780 6.443 8.996 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.143 6.825 8.413 1.00 0.00 H new ATOM 758 N VAL A 55 2.924 1.809 8.378 1.00 0.00 N ATOM 759 CA VAL A 55 2.508 0.414 8.447 1.00 0.00 C ATOM 760 C VAL A 55 1.577 0.175 9.631 1.00 0.00 C ATOM 761 O VAL A 55 1.973 0.334 10.787 1.00 0.00 O ATOM 762 CB VAL A 55 3.719 -0.530 8.564 1.00 0.00 C ATOM 763 CG1 VAL A 55 3.281 -1.982 8.454 1.00 0.00 C ATOM 764 CG2 VAL A 55 4.759 -0.197 7.505 1.00 0.00 C ATOM 0 H VAL A 55 3.879 1.980 8.692 1.00 0.00 H new ATOM 0 HA VAL A 55 1.977 0.198 7.520 1.00 0.00 H new ATOM 0 HB VAL A 55 4.173 -0.387 9.545 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.152 -2.632 8.539 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.577 -2.211 9.254 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.800 -2.145 7.490 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.608 -0.874 7.603 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.318 -0.308 6.514 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.098 0.831 7.638 1.00 0.00 H new ATOM 774 N ARG A 56 0.339 -0.207 9.338 1.00 0.00 N ATOM 775 CA ARG A 56 -0.649 -0.469 10.378 1.00 0.00 C ATOM 776 C ARG A 56 -0.953 -1.960 10.476 1.00 0.00 C ATOM 777 O ARG A 56 -1.250 -2.473 11.555 1.00 0.00 O ATOM 778 CB ARG A 56 -1.936 0.308 10.096 1.00 0.00 C ATOM 779 CG ARG A 56 -1.715 1.796 9.881 1.00 0.00 C ATOM 780 CD ARG A 56 -1.942 2.584 11.161 1.00 0.00 C ATOM 781 NE ARG A 56 -1.569 3.988 11.013 1.00 0.00 N ATOM 782 CZ ARG A 56 -1.397 4.822 12.037 1.00 0.00 C ATOM 783 NH1 ARG A 56 -1.562 4.397 13.283 1.00 0.00 N ATOM 784 NH2 ARG A 56 -1.057 6.085 11.813 1.00 0.00 N ATOM 0 H ARG A 56 -0.005 -0.342 8.387 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.234 -0.138 11.330 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.417 -0.111 9.212 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.625 0.168 10.929 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.700 1.966 9.523 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.391 2.157 9.106 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.992 2.516 11.447 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.362 2.138 11.969 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.432 4.351 10.070 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.822 3.427 13.461 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.429 5.040 14.063 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.928 6.416 10.857 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.925 6.724 12.597 1.00 0.00 H new ATOM 798 N PHE A 57 -0.880 -2.650 9.343 1.00 0.00 N ATOM 799 CA PHE A 57 -1.149 -4.082 9.300 1.00 0.00 C ATOM 800 C PHE A 57 -0.163 -4.796 8.380 1.00 0.00 C ATOM 801 O PHE A 57 0.391 -4.194 7.461 1.00 0.00 O ATOM 802 CB PHE A 57 -2.581 -4.337 8.827 1.00 0.00 C ATOM 803 CG PHE A 57 -3.193 -5.580 9.406 1.00 0.00 C ATOM 804 CD1 PHE A 57 -2.854 -6.830 8.914 1.00 0.00 C ATOM 805 CD2 PHE A 57 -4.108 -5.498 10.444 1.00 0.00 C ATOM 806 CE1 PHE A 57 -3.416 -7.975 9.444 1.00 0.00 C ATOM 807 CE2 PHE A 57 -4.674 -6.640 10.980 1.00 0.00 C ATOM 808 CZ PHE A 57 -4.327 -7.880 10.479 1.00 0.00 C ATOM 0 H PHE A 57 -0.636 -2.240 8.441 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.028 -4.479 10.308 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.200 -3.480 9.092 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.588 -4.411 7.740 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.142 -6.910 8.106 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.382 -4.531 10.839 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.144 -8.943 9.050 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.386 -6.563 11.789 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.767 -8.774 10.896 1.00 0.00 H new ATOM 818 N LEU A 58 0.049 -6.083 8.635 1.00 0.00 N ATOM 819 CA LEU A 58 0.966 -6.881 7.829 1.00 0.00 C ATOM 820 C LEU A 58 0.613 -8.362 7.911 1.00 0.00 C ATOM 821 O LEU A 58 0.683 -8.969 8.979 1.00 0.00 O ATOM 822 CB LEU A 58 2.408 -6.664 8.292 1.00 0.00 C ATOM 823 CG LEU A 58 3.469 -7.396 7.468 1.00 0.00 C ATOM 824 CD1 LEU A 58 3.407 -6.962 6.012 1.00 0.00 C ATOM 825 CD2 LEU A 58 4.856 -7.145 8.042 1.00 0.00 C ATOM 0 H LEU A 58 -0.402 -6.596 9.393 1.00 0.00 H new ATOM 0 HA LEU A 58 0.872 -6.559 6.792 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.624 -5.596 8.268 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.492 -6.983 9.331 1.00 0.00 H new ATOM 0 HG LEU A 58 3.265 -8.466 7.516 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.169 -7.493 5.441 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.422 -7.193 5.605 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.585 -5.889 5.944 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.598 -7.673 7.444 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.069 -6.076 8.024 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.895 -7.506 9.070 1.00 0.00 H new ATOM 837 N GLY A 59 0.233 -8.939 6.776 1.00 0.00 N ATOM 838 CA GLY A 59 -0.125 -10.344 6.741 1.00 0.00 C ATOM 839 C GLY A 59 -0.496 -10.814 5.348 1.00 0.00 C ATOM 840 O GLY A 59 -0.287 -10.099 4.368 1.00 0.00 O ATOM 0 H GLY A 59 0.167 -8.458 5.879 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.711 -10.938 7.111 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.963 -10.519 7.415 1.00 0.00 H new ATOM 844 N GLU A 60 -1.048 -12.019 5.261 1.00 0.00 N ATOM 845 CA GLU A 60 -1.449 -12.584 3.977 1.00 0.00 C ATOM 846 C GLU A 60 -2.840 -12.099 3.582 1.00 0.00 C ATOM 847 O GLU A 60 -3.754 -12.061 4.405 1.00 0.00 O ATOM 848 CB GLU A 60 -1.426 -14.113 4.039 1.00 0.00 C ATOM 849 CG GLU A 60 -0.149 -14.724 3.481 1.00 0.00 C ATOM 850 CD GLU A 60 -0.406 -15.998 2.701 1.00 0.00 C ATOM 851 OE1 GLU A 60 -1.038 -15.919 1.626 1.00 0.00 O ATOM 852 OE2 GLU A 60 0.023 -17.075 3.164 1.00 0.00 O ATOM 0 H GLU A 60 -1.228 -12.623 6.063 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.739 -12.248 3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.548 -14.429 5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.279 -14.504 3.484 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.344 -13.999 2.833 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.537 -14.936 4.301 1.00 0.00 H new ATOM 859 N THR A 61 -2.992 -11.729 2.314 1.00 0.00 N ATOM 860 CA THR A 61 -4.272 -11.246 1.807 1.00 0.00 C ATOM 861 C THR A 61 -5.066 -12.380 1.166 1.00 0.00 C ATOM 862 O THR A 61 -4.632 -13.531 1.168 1.00 0.00 O ATOM 863 CB THR A 61 -4.049 -10.123 0.793 1.00 0.00 C ATOM 864 OG1 THR A 61 -3.006 -10.459 -0.104 1.00 0.00 O ATOM 865 CG2 THR A 61 -3.694 -8.799 1.436 1.00 0.00 C ATOM 0 H THR A 61 -2.245 -11.754 1.619 1.00 0.00 H new ATOM 0 HA THR A 61 -4.846 -10.857 2.648 1.00 0.00 H new ATOM 0 HB THR A 61 -4.999 -10.011 0.270 1.00 0.00 H new ATOM 0 HG1 THR A 61 -2.340 -9.740 -0.116 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.549 -8.046 0.662 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.502 -8.488 2.098 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.775 -8.909 2.012 1.00 0.00 H new ATOM 873 N ASP A 62 -6.231 -12.047 0.621 1.00 0.00 N ATOM 874 CA ASP A 62 -7.084 -13.041 -0.022 1.00 0.00 C ATOM 875 C ASP A 62 -7.596 -12.536 -1.368 1.00 0.00 C ATOM 876 O ASP A 62 -8.752 -12.759 -1.726 1.00 0.00 O ATOM 877 CB ASP A 62 -8.264 -13.394 0.886 1.00 0.00 C ATOM 878 CG ASP A 62 -7.930 -14.505 1.862 1.00 0.00 C ATOM 879 OD1 ASP A 62 -7.847 -15.672 1.427 1.00 0.00 O ATOM 880 OD2 ASP A 62 -7.751 -14.207 3.062 1.00 0.00 O ATOM 0 H ASP A 62 -6.606 -11.099 0.611 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.486 -13.936 -0.196 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.570 -12.507 1.440 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.113 -13.696 0.273 1.00 0.00 H new ATOM 885 N PHE A 63 -6.727 -11.858 -2.110 1.00 0.00 N ATOM 886 CA PHE A 63 -7.094 -11.327 -3.419 1.00 0.00 C ATOM 887 C PHE A 63 -5.941 -11.465 -4.409 1.00 0.00 C ATOM 888 O PHE A 63 -6.144 -11.852 -5.561 1.00 0.00 O ATOM 889 CB PHE A 63 -7.513 -9.858 -3.301 1.00 0.00 C ATOM 890 CG PHE A 63 -6.400 -8.941 -2.880 1.00 0.00 C ATOM 891 CD1 PHE A 63 -5.515 -8.428 -3.815 1.00 0.00 C ATOM 892 CD2 PHE A 63 -6.242 -8.588 -1.548 1.00 0.00 C ATOM 893 CE1 PHE A 63 -4.493 -7.581 -3.430 1.00 0.00 C ATOM 894 CE2 PHE A 63 -5.222 -7.742 -1.158 1.00 0.00 C ATOM 895 CZ PHE A 63 -4.346 -7.238 -2.101 1.00 0.00 C ATOM 0 H PHE A 63 -5.766 -11.663 -1.829 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.938 -11.907 -3.793 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.903 -9.523 -4.262 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.328 -9.779 -2.581 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.625 -8.693 -4.856 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.924 -8.979 -0.807 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.810 -7.188 -4.168 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.109 -7.475 -0.118 1.00 0.00 H new ATOM 0 HZ PHE A 63 -3.548 -6.577 -1.798 1.00 0.00 H new ATOM 905 N ALA A 64 -4.733 -11.147 -3.957 1.00 0.00 N ATOM 906 CA ALA A 64 -3.551 -11.237 -4.806 1.00 0.00 C ATOM 907 C ALA A 64 -2.685 -12.441 -4.438 1.00 0.00 C ATOM 908 O ALA A 64 -1.728 -12.763 -5.143 1.00 0.00 O ATOM 909 CB ALA A 64 -2.739 -9.955 -4.713 1.00 0.00 C ATOM 0 H ALA A 64 -4.547 -10.825 -3.007 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.888 -11.373 -5.834 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.859 -10.035 -5.351 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.349 -9.113 -5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.426 -9.797 -3.681 1.00 0.00 H new ATOM 915 N LYS A 65 -3.020 -13.103 -3.332 1.00 0.00 N ATOM 916 CA LYS A 65 -2.266 -14.268 -2.880 1.00 0.00 C ATOM 917 C LYS A 65 -0.839 -13.880 -2.506 1.00 0.00 C ATOM 918 O LYS A 65 -0.034 -13.528 -3.369 1.00 0.00 O ATOM 919 CB LYS A 65 -2.247 -15.346 -3.966 1.00 0.00 C ATOM 920 CG LYS A 65 -3.621 -15.664 -4.531 1.00 0.00 C ATOM 921 CD LYS A 65 -3.532 -16.636 -5.697 1.00 0.00 C ATOM 922 CE LYS A 65 -4.904 -17.146 -6.104 1.00 0.00 C ATOM 923 NZ LYS A 65 -5.015 -17.326 -7.579 1.00 0.00 N ATOM 0 H LYS A 65 -3.807 -12.852 -2.734 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.760 -14.667 -1.994 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.596 -15.021 -4.778 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.813 -16.257 -3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.248 -16.090 -3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.103 -14.743 -4.859 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.059 -16.144 -6.547 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.897 -17.478 -5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.100 -18.096 -5.607 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.667 -16.445 -5.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.966 -17.675 -7.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.853 -16.415 -8.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.304 -18.014 -7.899 1.00 0.00 H new ATOM 937 N GLY A 66 -0.533 -13.946 -1.214 1.00 0.00 N ATOM 938 CA GLY A 66 0.796 -13.599 -0.748 1.00 0.00 C ATOM 939 C GLY A 66 0.766 -12.669 0.449 1.00 0.00 C ATOM 940 O GLY A 66 -0.292 -12.169 0.828 1.00 0.00 O ATOM 0 H GLY A 66 -1.182 -14.234 -0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.334 -14.509 -0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.350 -13.125 -1.559 1.00 0.00 H new ATOM 944 N GLU A 67 1.932 -12.435 1.045 1.00 0.00 N ATOM 945 CA GLU A 67 2.033 -11.559 2.206 1.00 0.00 C ATOM 946 C GLU A 67 2.074 -10.094 1.780 1.00 0.00 C ATOM 947 O GLU A 67 3.117 -9.586 1.370 1.00 0.00 O ATOM 948 CB GLU A 67 3.282 -11.900 3.021 1.00 0.00 C ATOM 949 CG GLU A 67 3.310 -11.246 4.393 1.00 0.00 C ATOM 950 CD GLU A 67 4.328 -11.882 5.320 1.00 0.00 C ATOM 951 OE1 GLU A 67 4.535 -13.109 5.223 1.00 0.00 O ATOM 952 OE2 GLU A 67 4.917 -11.152 6.144 1.00 0.00 O ATOM 0 H GLU A 67 2.818 -12.840 0.743 1.00 0.00 H new ATOM 0 HA GLU A 67 1.150 -11.714 2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.343 -12.982 3.142 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.166 -11.591 2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.537 -10.186 4.282 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.320 -11.314 4.844 1.00 0.00 H new ATOM 959 N TRP A 68 0.932 -9.423 1.880 1.00 0.00 N ATOM 960 CA TRP A 68 0.837 -8.017 1.506 1.00 0.00 C ATOM 961 C TRP A 68 0.904 -7.120 2.739 1.00 0.00 C ATOM 962 O TRP A 68 0.446 -7.497 3.817 1.00 0.00 O ATOM 963 CB TRP A 68 -0.463 -7.757 0.743 1.00 0.00 C ATOM 964 CG TRP A 68 -0.413 -8.205 -0.686 1.00 0.00 C ATOM 965 CD1 TRP A 68 -0.078 -9.446 -1.144 1.00 0.00 C ATOM 966 CD2 TRP A 68 -0.706 -7.414 -1.843 1.00 0.00 C ATOM 967 NE1 TRP A 68 -0.145 -9.475 -2.517 1.00 0.00 N ATOM 968 CE2 TRP A 68 -0.528 -8.240 -2.969 1.00 0.00 C ATOM 969 CE3 TRP A 68 -1.102 -6.088 -2.037 1.00 0.00 C ATOM 970 CZ2 TRP A 68 -0.733 -7.782 -4.268 1.00 0.00 C ATOM 971 CZ3 TRP A 68 -1.306 -5.635 -3.327 1.00 0.00 C ATOM 972 CH2 TRP A 68 -1.121 -6.481 -4.429 1.00 0.00 C ATOM 0 H TRP A 68 0.059 -9.830 2.217 1.00 0.00 H new ATOM 0 HA TRP A 68 1.683 -7.781 0.860 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -1.281 -8.270 1.249 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.687 -6.691 0.774 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.199 -10.283 -0.520 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.058 -10.285 -3.104 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -1.246 -5.429 -1.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.590 -8.432 -5.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -1.613 -4.612 -3.488 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.288 -6.098 -5.425 1.00 0.00 H new ATOM 983 N CYS A 69 1.477 -5.934 2.570 1.00 0.00 N ATOM 984 CA CYS A 69 1.603 -4.984 3.669 1.00 0.00 C ATOM 985 C CYS A 69 0.468 -3.967 3.642 1.00 0.00 C ATOM 986 O CYS A 69 0.335 -3.193 2.694 1.00 0.00 O ATOM 987 CB CYS A 69 2.951 -4.262 3.595 1.00 0.00 C ATOM 988 SG CYS A 69 3.337 -3.268 5.056 1.00 0.00 S ATOM 0 H CYS A 69 1.861 -5.607 1.683 1.00 0.00 H new ATOM 0 HA CYS A 69 1.547 -5.540 4.605 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.740 -5.001 3.453 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.957 -3.616 2.717 1.00 0.00 H new ATOM 0 HG CYS A 69 4.496 -2.699 4.900 1.00 0.00 H new ATOM 994 N GLY A 70 -0.352 -3.975 4.689 1.00 0.00 N ATOM 995 CA GLY A 70 -1.466 -3.048 4.766 1.00 0.00 C ATOM 996 C GLY A 70 -1.057 -1.691 5.304 1.00 0.00 C ATOM 997 O GLY A 70 -1.058 -1.470 6.514 1.00 0.00 O ATOM 0 H GLY A 70 -0.265 -4.607 5.485 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.902 -2.926 3.774 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.242 -3.470 5.405 1.00 0.00 H new ATOM 1001 N VAL A 71 -0.705 -0.782 4.401 1.00 0.00 N ATOM 1002 CA VAL A 71 -0.290 0.560 4.791 1.00 0.00 C ATOM 1003 C VAL A 71 -1.470 1.526 4.776 1.00 0.00 C ATOM 1004 O VAL A 71 -2.459 1.303 4.079 1.00 0.00 O ATOM 1005 CB VAL A 71 0.812 1.101 3.862 1.00 0.00 C ATOM 1006 CG1 VAL A 71 1.371 2.409 4.398 1.00 0.00 C ATOM 1007 CG2 VAL A 71 1.918 0.070 3.691 1.00 0.00 C ATOM 0 H VAL A 71 -0.699 -0.950 3.395 1.00 0.00 H new ATOM 0 HA VAL A 71 0.104 0.486 5.805 1.00 0.00 H new ATOM 0 HB VAL A 71 0.373 1.296 2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.148 2.775 3.727 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.571 3.147 4.463 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.795 2.245 5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.689 0.469 3.031 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.355 -0.159 4.663 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.504 -0.840 3.256 1.00 0.00 H new ATOM 1017 N GLU A 72 -1.358 2.602 5.549 1.00 0.00 N ATOM 1018 CA GLU A 72 -2.414 3.604 5.624 1.00 0.00 C ATOM 1019 C GLU A 72 -1.922 4.954 5.112 1.00 0.00 C ATOM 1020 O GLU A 72 -0.987 5.534 5.664 1.00 0.00 O ATOM 1021 CB GLU A 72 -2.913 3.743 7.063 1.00 0.00 C ATOM 1022 CG GLU A 72 -4.051 4.737 7.220 1.00 0.00 C ATOM 1023 CD GLU A 72 -4.102 5.351 8.606 1.00 0.00 C ATOM 1024 OE1 GLU A 72 -3.729 4.658 9.575 1.00 0.00 O ATOM 1025 OE2 GLU A 72 -4.516 6.524 8.721 1.00 0.00 O ATOM 0 H GLU A 72 -0.546 2.802 6.132 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.238 3.274 4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.242 2.767 7.420 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.083 4.051 7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.941 5.529 6.479 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.997 4.236 7.013 1.00 0.00 H new ATOM 1032 N LEU A 73 -2.557 5.447 4.055 1.00 0.00 N ATOM 1033 CA LEU A 73 -2.184 6.729 3.468 1.00 0.00 C ATOM 1034 C LEU A 73 -2.727 7.887 4.299 1.00 0.00 C ATOM 1035 O LEU A 73 -3.795 7.783 4.904 1.00 0.00 O ATOM 1036 CB LEU A 73 -2.705 6.828 2.033 1.00 0.00 C ATOM 1037 CG LEU A 73 -2.551 5.556 1.200 1.00 0.00 C ATOM 1038 CD1 LEU A 73 -3.143 5.751 -0.187 1.00 0.00 C ATOM 1039 CD2 LEU A 73 -1.087 5.155 1.106 1.00 0.00 C ATOM 0 H LEU A 73 -3.333 4.979 3.587 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.096 6.792 3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.760 7.098 2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.182 7.640 1.528 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.096 4.752 1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.024 4.835 -0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.203 5.990 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.627 6.568 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.996 4.247 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.519 5.957 0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.695 4.972 2.106 1.00 0.00 H new ATOM 1051 N ASP A 74 -1.986 8.990 4.324 1.00 0.00 N ATOM 1052 CA ASP A 74 -2.394 10.169 5.081 1.00 0.00 C ATOM 1053 C ASP A 74 -3.475 10.945 4.337 1.00 0.00 C ATOM 1054 O ASP A 74 -4.347 11.558 4.952 1.00 0.00 O ATOM 1055 CB ASP A 74 -1.188 11.074 5.342 1.00 0.00 C ATOM 1056 CG ASP A 74 -1.402 11.992 6.529 1.00 0.00 C ATOM 1057 OD1 ASP A 74 -1.165 11.549 7.673 1.00 0.00 O ATOM 1058 OD2 ASP A 74 -1.805 13.155 6.316 1.00 0.00 O ATOM 0 H ASP A 74 -1.100 9.092 3.829 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.803 9.835 6.035 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.306 10.458 5.517 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.988 11.673 4.454 1.00 0.00 H new ATOM 1063 N GLU A 75 -3.411 10.916 3.010 1.00 0.00 N ATOM 1064 CA GLU A 75 -4.384 11.617 2.181 1.00 0.00 C ATOM 1065 C GLU A 75 -5.342 10.632 1.515 1.00 0.00 C ATOM 1066 O GLU A 75 -5.078 9.431 1.471 1.00 0.00 O ATOM 1067 CB GLU A 75 -3.671 12.454 1.117 1.00 0.00 C ATOM 1068 CG GLU A 75 -3.464 13.905 1.524 1.00 0.00 C ATOM 1069 CD GLU A 75 -4.050 14.882 0.523 1.00 0.00 C ATOM 1070 OE1 GLU A 75 -3.644 14.839 -0.657 1.00 0.00 O ATOM 1071 OE2 GLU A 75 -4.916 15.691 0.919 1.00 0.00 O ATOM 0 H GLU A 75 -2.695 10.414 2.485 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.963 12.279 2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.702 12.004 0.901 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.250 12.423 0.194 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.920 14.073 2.500 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.397 14.099 1.633 1.00 0.00 H new ATOM 1078 N PRO A 76 -6.472 11.131 0.985 1.00 0.00 N ATOM 1079 CA PRO A 76 -7.470 10.288 0.318 1.00 0.00 C ATOM 1080 C PRO A 76 -6.966 9.738 -1.013 1.00 0.00 C ATOM 1081 O PRO A 76 -7.303 10.254 -2.077 1.00 0.00 O ATOM 1082 CB PRO A 76 -8.647 11.239 0.091 1.00 0.00 C ATOM 1083 CG PRO A 76 -8.034 12.597 0.047 1.00 0.00 C ATOM 1084 CD PRO A 76 -6.865 12.553 0.993 1.00 0.00 C ATOM 0 HA PRO A 76 -7.724 9.410 0.912 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.168 11.009 -0.839 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.380 11.161 0.894 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -7.710 12.846 -0.963 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -8.752 13.360 0.349 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.052 13.196 0.657 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -7.144 12.887 1.992 1.00 0.00 H new ATOM 1092 N LEU A 77 -6.154 8.688 -0.943 1.00 0.00 N ATOM 1093 CA LEU A 77 -5.602 8.069 -2.141 1.00 0.00 C ATOM 1094 C LEU A 77 -5.586 6.549 -2.011 1.00 0.00 C ATOM 1095 O LEU A 77 -4.718 5.877 -2.569 1.00 0.00 O ATOM 1096 CB LEU A 77 -4.186 8.585 -2.401 1.00 0.00 C ATOM 1097 CG LEU A 77 -4.063 10.105 -2.521 1.00 0.00 C ATOM 1098 CD1 LEU A 77 -2.604 10.529 -2.473 1.00 0.00 C ATOM 1099 CD2 LEU A 77 -4.721 10.592 -3.804 1.00 0.00 C ATOM 0 H LEU A 77 -5.864 8.249 -0.069 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.239 8.337 -2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.538 8.246 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.813 8.132 -3.320 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.579 10.560 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.537 11.613 -2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.164 10.213 -1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.063 10.065 -3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.625 11.675 -3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.234 10.128 -4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.777 10.321 -3.797 1.00 0.00 H new ATOM 1111 N GLY A 78 -6.551 6.013 -1.270 1.00 0.00 N ATOM 1112 CA GLY A 78 -6.629 4.577 -1.080 1.00 0.00 C ATOM 1113 C GLY A 78 -7.757 3.948 -1.874 1.00 0.00 C ATOM 1114 O GLY A 78 -8.146 4.458 -2.924 1.00 0.00 O ATOM 0 H GLY A 78 -7.280 6.548 -0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.683 4.123 -1.375 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.770 4.361 -0.021 1.00 0.00 H new ATOM 1118 N LYS A 79 -8.284 2.836 -1.371 1.00 0.00 N ATOM 1119 CA LYS A 79 -9.374 2.137 -2.041 1.00 0.00 C ATOM 1120 C LYS A 79 -10.426 1.680 -1.034 1.00 0.00 C ATOM 1121 O LYS A 79 -11.584 2.094 -1.100 1.00 0.00 O ATOM 1122 CB LYS A 79 -8.835 0.934 -2.819 1.00 0.00 C ATOM 1123 CG LYS A 79 -9.385 0.829 -4.231 1.00 0.00 C ATOM 1124 CD LYS A 79 -8.435 0.068 -5.143 1.00 0.00 C ATOM 1125 CE LYS A 79 -9.184 -0.664 -6.247 1.00 0.00 C ATOM 1126 NZ LYS A 79 -8.928 -2.130 -6.214 1.00 0.00 N ATOM 0 H LYS A 79 -7.974 2.400 -0.502 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.843 2.830 -2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.748 0.999 -2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.077 0.021 -2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.352 0.326 -4.210 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.554 1.828 -4.632 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.721 0.762 -5.586 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.861 -0.648 -4.555 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.253 -0.480 -6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.884 -0.265 -7.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.456 -2.592 -6.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.911 -2.308 -6.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.238 -2.516 -5.299 1.00 0.00 H new ATOM 1140 N ASN A 80 -10.015 0.826 -0.103 1.00 0.00 N ATOM 1141 CA ASN A 80 -10.922 0.313 0.918 1.00 0.00 C ATOM 1142 C ASN A 80 -10.675 0.999 2.257 1.00 0.00 C ATOM 1143 O ASN A 80 -9.719 1.759 2.410 1.00 0.00 O ATOM 1144 CB ASN A 80 -10.753 -1.200 1.067 1.00 0.00 C ATOM 1145 CG ASN A 80 -9.310 -1.600 1.305 1.00 0.00 C ATOM 1146 OD1 ASN A 80 -8.750 -1.340 2.370 1.00 0.00 O ATOM 1147 ND2 ASN A 80 -8.701 -2.236 0.311 1.00 0.00 N ATOM 0 H ASN A 80 -9.060 0.474 -0.034 1.00 0.00 H new ATOM 0 HA ASN A 80 -11.943 0.527 0.603 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -11.366 -1.551 1.897 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -11.121 -1.694 0.168 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.730 -2.530 0.413 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.205 -2.430 -0.554 1.00 0.00 H new ATOM 1154 N ASP A 81 -11.542 0.723 3.226 1.00 0.00 N ATOM 1155 CA ASP A 81 -11.417 1.313 4.554 1.00 0.00 C ATOM 1156 C ASP A 81 -10.745 0.341 5.518 1.00 0.00 C ATOM 1157 O ASP A 81 -11.050 0.323 6.711 1.00 0.00 O ATOM 1158 CB ASP A 81 -12.792 1.712 5.090 1.00 0.00 C ATOM 1159 CG ASP A 81 -13.761 0.546 5.120 1.00 0.00 C ATOM 1160 OD1 ASP A 81 -14.134 0.055 4.033 1.00 0.00 O ATOM 1161 OD2 ASP A 81 -14.147 0.123 6.231 1.00 0.00 O ATOM 0 H ASP A 81 -12.338 0.095 3.117 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.795 2.205 4.472 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.683 2.117 6.096 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.204 2.508 4.469 1.00 0.00 H new ATOM 1166 N GLY A 82 -9.829 -0.467 4.994 1.00 0.00 N ATOM 1167 CA GLY A 82 -9.129 -1.430 5.822 1.00 0.00 C ATOM 1168 C GLY A 82 -9.629 -2.846 5.615 1.00 0.00 C ATOM 1169 O GLY A 82 -8.892 -3.809 5.826 1.00 0.00 O ATOM 0 H GLY A 82 -9.559 -0.472 4.010 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.063 -1.389 5.599 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.247 -1.156 6.870 1.00 0.00 H new ATOM 1173 N ALA A 83 -10.886 -2.974 5.201 1.00 0.00 N ATOM 1174 CA ALA A 83 -11.482 -4.283 4.967 1.00 0.00 C ATOM 1175 C ALA A 83 -11.189 -4.777 3.555 1.00 0.00 C ATOM 1176 O ALA A 83 -11.425 -4.067 2.576 1.00 0.00 O ATOM 1177 CB ALA A 83 -12.983 -4.228 5.207 1.00 0.00 C ATOM 0 H ALA A 83 -11.510 -2.188 5.021 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.037 -4.988 5.669 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.416 -5.212 5.029 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.176 -3.928 6.237 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.434 -3.505 4.528 1.00 0.00 H new ATOM 1183 N VAL A 84 -10.673 -5.997 3.457 1.00 0.00 N ATOM 1184 CA VAL A 84 -10.346 -6.587 2.165 1.00 0.00 C ATOM 1185 C VAL A 84 -10.781 -8.047 2.102 1.00 0.00 C ATOM 1186 O VAL A 84 -10.642 -8.789 3.075 1.00 0.00 O ATOM 1187 CB VAL A 84 -8.836 -6.499 1.870 1.00 0.00 C ATOM 1188 CG1 VAL A 84 -8.544 -6.936 0.444 1.00 0.00 C ATOM 1189 CG2 VAL A 84 -8.325 -5.089 2.119 1.00 0.00 C ATOM 0 H VAL A 84 -10.472 -6.597 4.257 1.00 0.00 H new ATOM 0 HA VAL A 84 -10.888 -6.016 1.411 1.00 0.00 H new ATOM 0 HB VAL A 84 -8.312 -7.175 2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -7.473 -6.867 0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -8.872 -7.966 0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -9.078 -6.289 -0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.257 -5.046 1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -8.853 -4.391 1.470 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.498 -4.818 3.160 1.00 0.00 H new ATOM 1199 N ALA A 85 -11.308 -8.454 0.952 1.00 0.00 N ATOM 1200 CA ALA A 85 -11.764 -9.825 0.762 1.00 0.00 C ATOM 1201 C ALA A 85 -12.814 -10.211 1.800 1.00 0.00 C ATOM 1202 O ALA A 85 -13.019 -11.392 2.079 1.00 0.00 O ATOM 1203 CB ALA A 85 -10.585 -10.785 0.821 1.00 0.00 C ATOM 0 H ALA A 85 -11.430 -7.853 0.137 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.227 -9.891 -0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.939 -11.806 0.678 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.872 -10.535 0.035 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -10.098 -10.703 1.792 1.00 0.00 H new ATOM 1209 N GLY A 86 -13.479 -9.209 2.369 1.00 0.00 N ATOM 1210 CA GLY A 86 -14.498 -9.469 3.369 1.00 0.00 C ATOM 1211 C GLY A 86 -13.961 -9.398 4.785 1.00 0.00 C ATOM 1212 O GLY A 86 -14.709 -9.138 5.727 1.00 0.00 O ATOM 0 H GLY A 86 -13.330 -8.223 2.155 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.306 -8.746 3.255 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.927 -10.456 3.197 1.00 0.00 H new ATOM 1216 N THR A 87 -12.661 -9.631 4.938 1.00 0.00 N ATOM 1217 CA THR A 87 -12.027 -9.593 6.251 1.00 0.00 C ATOM 1218 C THR A 87 -11.540 -8.186 6.579 1.00 0.00 C ATOM 1219 O THR A 87 -11.103 -7.447 5.697 1.00 0.00 O ATOM 1220 CB THR A 87 -10.857 -10.575 6.307 1.00 0.00 C ATOM 1221 OG1 THR A 87 -11.285 -11.885 5.977 1.00 0.00 O ATOM 1222 CG2 THR A 87 -10.192 -10.638 7.664 1.00 0.00 C ATOM 0 H THR A 87 -12.027 -9.848 4.169 1.00 0.00 H new ATOM 0 HA THR A 87 -12.771 -9.884 6.993 1.00 0.00 H new ATOM 0 HB THR A 87 -10.133 -10.202 5.583 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.522 -12.498 6.017 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.370 -11.354 7.634 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.806 -9.653 7.926 1.00 0.00 H new ATOM 0 HG23 THR A 87 -10.920 -10.953 8.412 1.00 0.00 H new ATOM 1230 N ARG A 88 -11.616 -7.821 7.856 1.00 0.00 N ATOM 1231 CA ARG A 88 -11.181 -6.503 8.301 1.00 0.00 C ATOM 1232 C ARG A 88 -9.785 -6.569 8.910 1.00 0.00 C ATOM 1233 O ARG A 88 -9.545 -7.318 9.857 1.00 0.00 O ATOM 1234 CB ARG A 88 -12.168 -5.930 9.319 1.00 0.00 C ATOM 1235 CG ARG A 88 -11.887 -4.484 9.691 1.00 0.00 C ATOM 1236 CD ARG A 88 -13.173 -3.698 9.903 1.00 0.00 C ATOM 1237 NE ARG A 88 -14.024 -4.304 10.924 1.00 0.00 N ATOM 1238 CZ ARG A 88 -15.055 -5.106 10.661 1.00 0.00 C ATOM 1239 NH1 ARG A 88 -15.376 -5.409 9.408 1.00 0.00 N ATOM 1240 NH2 ARG A 88 -15.772 -5.609 11.657 1.00 0.00 N ATOM 0 H ARG A 88 -11.975 -8.420 8.600 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.149 -5.847 7.431 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -13.178 -6.003 8.915 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -12.142 -6.540 10.222 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.287 -4.452 10.600 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -11.298 -4.013 8.904 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.929 -2.676 10.194 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.721 -3.639 8.963 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.815 -4.100 11.901 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.831 -5.027 8.635 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.167 -6.024 9.219 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.534 -5.382 12.622 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -16.562 -6.223 11.458 1.00 0.00 H new ATOM 1254 N TYR A 89 -8.867 -5.782 8.359 1.00 0.00 N ATOM 1255 CA TYR A 89 -7.494 -5.752 8.848 1.00 0.00 C ATOM 1256 C TYR A 89 -7.318 -4.671 9.909 1.00 0.00 C ATOM 1257 O TYR A 89 -7.197 -4.967 11.097 1.00 0.00 O ATOM 1258 CB TYR A 89 -6.523 -5.510 7.690 1.00 0.00 C ATOM 1259 CG TYR A 89 -6.495 -6.631 6.677 1.00 0.00 C ATOM 1260 CD1 TYR A 89 -7.634 -6.968 5.954 1.00 0.00 C ATOM 1261 CD2 TYR A 89 -5.332 -7.354 6.444 1.00 0.00 C ATOM 1262 CE1 TYR A 89 -7.612 -7.994 5.027 1.00 0.00 C ATOM 1263 CE2 TYR A 89 -5.303 -8.381 5.518 1.00 0.00 C ATOM 1264 CZ TYR A 89 -6.445 -8.696 4.813 1.00 0.00 C ATOM 1265 OH TYR A 89 -6.420 -9.717 3.891 1.00 0.00 O ATOM 0 H TYR A 89 -9.049 -5.157 7.574 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.275 -6.719 9.301 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.796 -4.583 7.186 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.520 -5.370 8.092 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.550 -6.420 6.119 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.436 -7.110 6.995 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -8.505 -8.244 4.473 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.391 -8.933 5.348 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.067 -9.530 3.179 1.00 0.00 H new ATOM 1275 N PHE A 90 -7.306 -3.416 9.472 1.00 0.00 N ATOM 1276 CA PHE A 90 -7.147 -2.290 10.385 1.00 0.00 C ATOM 1277 C PHE A 90 -8.234 -1.245 10.154 1.00 0.00 C ATOM 1278 O PHE A 90 -8.560 -0.914 9.014 1.00 0.00 O ATOM 1279 CB PHE A 90 -5.766 -1.654 10.207 1.00 0.00 C ATOM 1280 CG PHE A 90 -5.539 -1.085 8.837 1.00 0.00 C ATOM 1281 CD1 PHE A 90 -5.204 -1.911 7.775 1.00 0.00 C ATOM 1282 CD2 PHE A 90 -5.658 0.277 8.609 1.00 0.00 C ATOM 1283 CE1 PHE A 90 -4.994 -1.389 6.513 1.00 0.00 C ATOM 1284 CE2 PHE A 90 -5.449 0.804 7.348 1.00 0.00 C ATOM 1285 CZ PHE A 90 -5.117 -0.031 6.299 1.00 0.00 C ATOM 0 H PHE A 90 -7.404 -3.153 8.491 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.239 -2.665 11.404 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.642 -0.862 10.945 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -5.001 -2.403 10.412 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -5.106 -2.974 7.936 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.917 0.934 9.426 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.734 -2.043 5.694 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.545 1.867 7.183 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.954 0.378 5.313 1.00 0.00 H new ATOM 1295 N GLN A 91 -8.791 -0.728 11.244 1.00 0.00 N ATOM 1296 CA GLN A 91 -9.842 0.279 11.161 1.00 0.00 C ATOM 1297 C GLN A 91 -9.300 1.584 10.587 1.00 0.00 C ATOM 1298 O GLN A 91 -8.342 2.154 11.110 1.00 0.00 O ATOM 1299 CB GLN A 91 -10.450 0.527 12.545 1.00 0.00 C ATOM 1300 CG GLN A 91 -11.967 0.436 12.567 1.00 0.00 C ATOM 1301 CD GLN A 91 -12.632 1.798 12.543 1.00 0.00 C ATOM 1302 OE1 GLN A 91 -13.235 2.226 13.527 1.00 0.00 O ATOM 1303 NE2 GLN A 91 -12.527 2.488 11.413 1.00 0.00 N ATOM 0 H GLN A 91 -8.532 -0.990 12.195 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.618 -0.095 10.493 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.040 -0.198 13.248 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.148 1.515 12.894 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.305 -0.145 11.709 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.282 -0.103 13.461 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -12.018 2.095 10.621 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -12.956 3.410 11.337 1.00 0.00 H new ATOM 1312 N CYS A 92 -9.919 2.052 9.507 1.00 0.00 N ATOM 1313 CA CYS A 92 -9.498 3.290 8.862 1.00 0.00 C ATOM 1314 C CYS A 92 -10.656 3.928 8.102 1.00 0.00 C ATOM 1315 O CYS A 92 -11.607 3.249 7.714 1.00 0.00 O ATOM 1316 CB CYS A 92 -8.334 3.021 7.907 1.00 0.00 C ATOM 1317 SG CYS A 92 -7.677 4.503 7.107 1.00 0.00 S ATOM 0 H CYS A 92 -10.713 1.593 9.061 1.00 0.00 H new ATOM 0 HA CYS A 92 -9.171 3.982 9.638 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -7.531 2.533 8.459 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -8.663 2.322 7.138 1.00 0.00 H new ATOM 0 HG CYS A 92 -7.016 4.163 6.041 1.00 0.00 H new ATOM 1323 N GLN A 93 -10.570 5.238 7.892 1.00 0.00 N ATOM 1324 CA GLN A 93 -11.611 5.968 7.178 1.00 0.00 C ATOM 1325 C GLN A 93 -11.640 5.572 5.704 1.00 0.00 C ATOM 1326 O GLN A 93 -10.614 5.210 5.129 1.00 0.00 O ATOM 1327 CB GLN A 93 -11.385 7.475 7.309 1.00 0.00 C ATOM 1328 CG GLN A 93 -11.196 7.940 8.743 1.00 0.00 C ATOM 1329 CD GLN A 93 -12.512 8.199 9.451 1.00 0.00 C ATOM 1330 OE1 GLN A 93 -13.508 8.555 8.821 1.00 0.00 O ATOM 1331 NE2 GLN A 93 -12.521 8.022 10.767 1.00 0.00 N ATOM 0 H GLN A 93 -9.790 5.815 8.206 1.00 0.00 H new ATOM 0 HA GLN A 93 -12.572 5.711 7.623 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -10.507 7.754 6.727 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -12.236 8.000 6.875 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -10.633 7.186 9.294 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.599 8.852 8.750 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -11.671 7.726 11.248 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -13.378 8.182 11.297 1.00 0.00 H new ATOM 1340 N PRO A 94 -12.825 5.636 5.071 1.00 0.00 N ATOM 1341 CA PRO A 94 -12.984 5.282 3.657 1.00 0.00 C ATOM 1342 C PRO A 94 -11.992 6.016 2.762 1.00 0.00 C ATOM 1343 O PRO A 94 -11.706 7.195 2.971 1.00 0.00 O ATOM 1344 CB PRO A 94 -14.415 5.720 3.338 1.00 0.00 C ATOM 1345 CG PRO A 94 -15.123 5.682 4.649 1.00 0.00 C ATOM 1346 CD PRO A 94 -14.099 6.057 5.684 1.00 0.00 C ATOM 0 HA PRO A 94 -12.799 4.222 3.480 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -14.436 6.720 2.905 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -14.882 5.051 2.616 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -15.962 6.378 4.660 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -15.530 4.690 4.844 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -14.111 7.127 5.892 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -14.278 5.546 6.630 1.00 0.00 H new ATOM 1354 N LYS A 95 -11.469 5.311 1.763 1.00 0.00 N ATOM 1355 CA LYS A 95 -10.508 5.896 0.835 1.00 0.00 C ATOM 1356 C LYS A 95 -9.261 6.375 1.575 1.00 0.00 C ATOM 1357 O LYS A 95 -9.005 7.575 1.673 1.00 0.00 O ATOM 1358 CB LYS A 95 -11.145 7.061 0.076 1.00 0.00 C ATOM 1359 CG LYS A 95 -12.540 6.758 -0.445 1.00 0.00 C ATOM 1360 CD LYS A 95 -13.010 7.817 -1.428 1.00 0.00 C ATOM 1361 CE LYS A 95 -12.523 7.524 -2.839 1.00 0.00 C ATOM 1362 NZ LYS A 95 -13.233 6.361 -3.440 1.00 0.00 N ATOM 0 H LYS A 95 -11.695 4.334 1.576 1.00 0.00 H new ATOM 0 HA LYS A 95 -10.213 5.126 0.122 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.192 7.929 0.733 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.504 7.331 -0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.544 5.782 -0.931 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -13.237 6.701 0.391 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -14.099 7.864 -1.420 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -12.646 8.795 -1.112 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -12.672 8.404 -3.465 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.452 7.325 -2.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.124 6.384 -4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.828 5.478 -3.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.243 6.408 -3.197 1.00 0.00 H new ATOM 1376 N TYR A 96 -8.489 5.427 2.094 1.00 0.00 N ATOM 1377 CA TYR A 96 -7.269 5.749 2.825 1.00 0.00 C ATOM 1378 C TYR A 96 -6.372 4.522 2.954 1.00 0.00 C ATOM 1379 O TYR A 96 -5.186 4.571 2.624 1.00 0.00 O ATOM 1380 CB TYR A 96 -7.609 6.295 4.213 1.00 0.00 C ATOM 1381 CG TYR A 96 -7.937 7.771 4.220 1.00 0.00 C ATOM 1382 CD1 TYR A 96 -6.934 8.724 4.097 1.00 0.00 C ATOM 1383 CD2 TYR A 96 -9.248 8.211 4.351 1.00 0.00 C ATOM 1384 CE1 TYR A 96 -7.228 10.074 4.103 1.00 0.00 C ATOM 1385 CE2 TYR A 96 -9.550 9.559 4.358 1.00 0.00 C ATOM 1386 CZ TYR A 96 -8.537 10.487 4.234 1.00 0.00 C ATOM 1387 OH TYR A 96 -8.834 11.830 4.240 1.00 0.00 O ATOM 0 H TYR A 96 -8.686 4.429 2.022 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.731 6.513 2.264 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -8.458 5.741 4.614 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.767 6.115 4.881 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.907 8.404 3.995 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -10.044 7.488 4.449 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -6.436 10.802 4.006 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -10.575 9.885 4.460 1.00 0.00 H new ATOM 0 HH TYR A 96 -9.801 11.951 4.339 1.00 0.00 H new ATOM 1397 N GLY A 97 -6.944 3.425 3.435 1.00 0.00 N ATOM 1398 CA GLY A 97 -6.182 2.201 3.599 1.00 0.00 C ATOM 1399 C GLY A 97 -5.836 1.551 2.274 1.00 0.00 C ATOM 1400 O GLY A 97 -6.715 1.309 1.446 1.00 0.00 O ATOM 0 H GLY A 97 -7.923 3.361 3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.264 2.419 4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.754 1.499 4.206 1.00 0.00 H new ATOM 1404 N LEU A 98 -4.554 1.268 2.072 1.00 0.00 N ATOM 1405 CA LEU A 98 -4.094 0.642 0.838 1.00 0.00 C ATOM 1406 C LEU A 98 -3.266 -0.604 1.136 1.00 0.00 C ATOM 1407 O LEU A 98 -2.689 -0.735 2.215 1.00 0.00 O ATOM 1408 CB LEU A 98 -3.268 1.633 0.016 1.00 0.00 C ATOM 1409 CG LEU A 98 -3.012 1.217 -1.433 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -4.304 1.253 -2.235 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -1.962 2.117 -2.068 1.00 0.00 C ATOM 0 H LEU A 98 -3.815 1.462 2.747 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.970 0.345 0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.778 2.596 0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.308 1.780 0.511 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.635 0.194 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.102 0.954 -3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.026 0.567 -1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.711 2.264 -2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.792 1.807 -3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.310 3.150 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.030 2.040 -1.508 1.00 0.00 H new ATOM 1423 N PHE A 99 -3.213 -1.517 0.171 1.00 0.00 N ATOM 1424 CA PHE A 99 -2.456 -2.753 0.330 1.00 0.00 C ATOM 1425 C PHE A 99 -1.501 -2.961 -0.841 1.00 0.00 C ATOM 1426 O PHE A 99 -1.869 -2.754 -1.998 1.00 0.00 O ATOM 1427 CB PHE A 99 -3.406 -3.946 0.446 1.00 0.00 C ATOM 1428 CG PHE A 99 -3.900 -4.187 1.845 1.00 0.00 C ATOM 1429 CD1 PHE A 99 -4.942 -3.434 2.364 1.00 0.00 C ATOM 1430 CD2 PHE A 99 -3.324 -5.165 2.639 1.00 0.00 C ATOM 1431 CE1 PHE A 99 -5.399 -3.654 3.649 1.00 0.00 C ATOM 1432 CE2 PHE A 99 -3.776 -5.388 3.926 1.00 0.00 C ATOM 1433 CZ PHE A 99 -4.816 -4.631 4.431 1.00 0.00 C ATOM 0 H PHE A 99 -3.685 -1.424 -0.728 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.869 -2.675 1.245 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.261 -3.784 -0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.897 -4.842 0.090 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.401 -2.667 1.757 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.512 -5.760 2.248 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.212 -3.062 4.042 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.317 -6.152 4.536 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.172 -4.803 5.436 1.00 0.00 H new ATOM 1443 N ALA A 100 -0.275 -3.372 -0.533 1.00 0.00 N ATOM 1444 CA ALA A 100 0.731 -3.609 -1.560 1.00 0.00 C ATOM 1445 C ALA A 100 1.646 -4.769 -1.175 1.00 0.00 C ATOM 1446 O ALA A 100 1.828 -5.058 0.008 1.00 0.00 O ATOM 1447 CB ALA A 100 1.547 -2.347 -1.800 1.00 0.00 C ATOM 0 H ALA A 100 0.045 -3.548 0.419 1.00 0.00 H new ATOM 0 HA ALA A 100 0.217 -3.877 -2.483 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.295 -2.538 -2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.887 -1.544 -2.127 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.044 -2.054 -0.875 1.00 0.00 H new ATOM 1453 N PRO A 101 2.236 -5.452 -2.172 1.00 0.00 N ATOM 1454 CA PRO A 101 3.135 -6.584 -1.926 1.00 0.00 C ATOM 1455 C PRO A 101 4.378 -6.168 -1.148 1.00 0.00 C ATOM 1456 O PRO A 101 5.004 -5.154 -1.454 1.00 0.00 O ATOM 1457 CB PRO A 101 3.522 -7.063 -3.331 1.00 0.00 C ATOM 1458 CG PRO A 101 2.522 -6.456 -4.253 1.00 0.00 C ATOM 1459 CD PRO A 101 2.077 -5.177 -3.608 1.00 0.00 C ATOM 0 HA PRO A 101 2.656 -7.355 -1.323 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.533 -6.747 -3.588 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.502 -8.151 -3.393 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.961 -6.265 -5.232 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.678 -7.128 -4.408 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.687 -4.332 -3.926 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.044 -4.937 -3.860 1.00 0.00 H new ATOM 1467 N VAL A 102 4.730 -6.959 -0.138 1.00 0.00 N ATOM 1468 CA VAL A 102 5.900 -6.670 0.686 1.00 0.00 C ATOM 1469 C VAL A 102 7.148 -6.473 -0.170 1.00 0.00 C ATOM 1470 O VAL A 102 7.878 -5.496 -0.003 1.00 0.00 O ATOM 1471 CB VAL A 102 6.160 -7.792 1.708 1.00 0.00 C ATOM 1472 CG1 VAL A 102 5.097 -7.782 2.796 1.00 0.00 C ATOM 1473 CG2 VAL A 102 6.213 -9.147 1.018 1.00 0.00 C ATOM 0 H VAL A 102 4.223 -7.803 0.129 1.00 0.00 H new ATOM 0 HA VAL A 102 5.685 -5.745 1.221 1.00 0.00 H new ATOM 0 HB VAL A 102 7.128 -7.611 2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.298 -8.582 3.508 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.115 -6.823 3.313 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.115 -7.934 2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.398 -9.925 1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.263 -9.339 0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.016 -9.149 0.281 1.00 0.00 H new ATOM 1483 N HIS A 103 7.387 -7.406 -1.088 1.00 0.00 N ATOM 1484 CA HIS A 103 8.549 -7.331 -1.967 1.00 0.00 C ATOM 1485 C HIS A 103 8.556 -6.026 -2.758 1.00 0.00 C ATOM 1486 O HIS A 103 9.613 -5.534 -3.151 1.00 0.00 O ATOM 1487 CB HIS A 103 8.567 -8.523 -2.928 1.00 0.00 C ATOM 1488 CG HIS A 103 7.293 -8.696 -3.695 1.00 0.00 C ATOM 1489 ND1 HIS A 103 7.060 -8.135 -4.931 1.00 0.00 N ATOM 1490 CD2 HIS A 103 6.170 -9.390 -3.381 1.00 0.00 C ATOM 1491 CE1 HIS A 103 5.830 -8.496 -5.321 1.00 0.00 C ATOM 1492 NE2 HIS A 103 5.248 -9.260 -4.415 1.00 0.00 N ATOM 0 H HIS A 103 6.793 -8.221 -1.242 1.00 0.00 H new ATOM 0 HA HIS A 103 9.443 -7.360 -1.344 1.00 0.00 H new ATOM 0 HB2 HIS A 103 9.390 -8.399 -3.631 1.00 0.00 H new ATOM 0 HB3 HIS A 103 8.766 -9.433 -2.361 1.00 0.00 H new ATOM 0 HD2 HIS A 103 6.016 -9.954 -2.473 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.374 -8.201 -6.254 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.315 -9.670 -4.463 1.00 0.00 H new ATOM 1500 N LYS A 104 7.371 -5.468 -2.986 1.00 0.00 N ATOM 1501 CA LYS A 104 7.245 -4.220 -3.728 1.00 0.00 C ATOM 1502 C LYS A 104 7.482 -3.016 -2.818 1.00 0.00 C ATOM 1503 O LYS A 104 7.889 -1.950 -3.279 1.00 0.00 O ATOM 1504 CB LYS A 104 5.863 -4.124 -4.379 1.00 0.00 C ATOM 1505 CG LYS A 104 5.902 -4.202 -5.897 1.00 0.00 C ATOM 1506 CD LYS A 104 4.961 -5.272 -6.428 1.00 0.00 C ATOM 1507 CE LYS A 104 5.256 -5.599 -7.884 1.00 0.00 C ATOM 1508 NZ LYS A 104 4.512 -4.709 -8.816 1.00 0.00 N ATOM 0 H LYS A 104 6.485 -5.861 -2.667 1.00 0.00 H new ATOM 0 HA LYS A 104 8.005 -4.214 -4.509 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.234 -4.928 -3.998 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.395 -3.185 -4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.629 -3.235 -6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.919 -4.416 -6.225 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.057 -6.175 -5.824 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.930 -4.932 -6.332 1.00 0.00 H new ATOM 0 HE2 LYS A 104 6.326 -5.503 -8.068 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.990 -6.637 -8.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.741 -4.965 -9.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 3.490 -4.819 -8.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.784 -3.720 -8.644 1.00 0.00 H new ATOM 1522 N VAL A 105 7.224 -3.194 -1.526 1.00 0.00 N ATOM 1523 CA VAL A 105 7.411 -2.119 -0.558 1.00 0.00 C ATOM 1524 C VAL A 105 8.887 -1.756 -0.421 1.00 0.00 C ATOM 1525 O VAL A 105 9.749 -2.633 -0.356 1.00 0.00 O ATOM 1526 CB VAL A 105 6.855 -2.503 0.827 1.00 0.00 C ATOM 1527 CG1 VAL A 105 6.966 -1.334 1.793 1.00 0.00 C ATOM 1528 CG2 VAL A 105 5.412 -2.971 0.711 1.00 0.00 C ATOM 0 H VAL A 105 6.886 -4.069 -1.126 1.00 0.00 H new ATOM 0 HA VAL A 105 6.860 -1.256 -0.932 1.00 0.00 H new ATOM 0 HB VAL A 105 7.451 -3.326 1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.568 -1.626 2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.013 -1.049 1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.397 -0.488 1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 105 5.036 -3.238 1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.802 -2.169 0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 105 5.363 -3.841 0.057 1.00 0.00 H new ATOM 1538 N THR A 106 9.171 -0.458 -0.379 1.00 0.00 N ATOM 1539 CA THR A 106 10.542 0.020 -0.250 1.00 0.00 C ATOM 1540 C THR A 106 10.734 0.774 1.061 1.00 0.00 C ATOM 1541 O THR A 106 10.086 1.793 1.305 1.00 0.00 O ATOM 1542 CB THR A 106 10.900 0.927 -1.429 1.00 0.00 C ATOM 1543 OG1 THR A 106 10.109 0.612 -2.562 1.00 0.00 O ATOM 1544 CG2 THR A 106 12.352 0.826 -1.842 1.00 0.00 C ATOM 0 H THR A 106 8.470 0.281 -0.432 1.00 0.00 H new ATOM 0 HA THR A 106 11.204 -0.846 -0.251 1.00 0.00 H new ATOM 0 HB THR A 106 10.707 1.942 -1.082 1.00 0.00 H new ATOM 0 HG1 THR A 106 9.235 1.049 -2.483 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.539 1.494 -2.683 1.00 0.00 H new ATOM 0 HG22 THR A 106 12.989 1.110 -1.004 1.00 0.00 H new ATOM 0 HG23 THR A 106 12.576 -0.199 -2.137 1.00 0.00 H new ATOM 1552 N LYS A 107 11.630 0.268 1.903 1.00 0.00 N ATOM 1553 CA LYS A 107 11.909 0.895 3.190 1.00 0.00 C ATOM 1554 C LYS A 107 12.523 2.278 2.998 1.00 0.00 C ATOM 1555 O LYS A 107 13.572 2.421 2.369 1.00 0.00 O ATOM 1556 CB LYS A 107 12.851 0.015 4.014 1.00 0.00 C ATOM 1557 CG LYS A 107 12.705 0.207 5.515 1.00 0.00 C ATOM 1558 CD LYS A 107 14.019 -0.041 6.238 1.00 0.00 C ATOM 1559 CE LYS A 107 14.110 0.766 7.524 1.00 0.00 C ATOM 1560 NZ LYS A 107 14.086 -0.107 8.730 1.00 0.00 N ATOM 0 H LYS A 107 12.175 -0.574 1.717 1.00 0.00 H new ATOM 0 HA LYS A 107 10.966 1.007 3.725 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.664 -1.031 3.770 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.880 0.230 3.727 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.360 1.220 5.722 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.944 -0.473 5.898 1.00 0.00 H new ATOM 0 HD2 LYS A 107 14.115 -1.103 6.466 1.00 0.00 H new ATOM 0 HD3 LYS A 107 14.850 0.221 5.584 1.00 0.00 H new ATOM 0 HE2 LYS A 107 15.028 1.354 7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.280 1.471 7.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 14.150 0.481 9.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.199 -0.650 8.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 14.892 -0.763 8.700 1.00 0.00 H new ATOM 1574 N ILE A 108 11.863 3.294 3.545 1.00 0.00 N ATOM 1575 CA ILE A 108 12.346 4.665 3.434 1.00 0.00 C ATOM 1576 C ILE A 108 13.639 4.856 4.219 1.00 0.00 C ATOM 1577 O ILE A 108 14.629 5.362 3.691 1.00 0.00 O ATOM 1578 CB ILE A 108 11.297 5.676 3.939 1.00 0.00 C ATOM 1579 CG1 ILE A 108 9.937 5.402 3.295 1.00 0.00 C ATOM 1580 CG2 ILE A 108 11.750 7.099 3.646 1.00 0.00 C ATOM 1581 CD1 ILE A 108 8.853 6.359 3.743 1.00 0.00 C ATOM 0 H ILE A 108 10.994 3.194 4.069 1.00 0.00 H new ATOM 0 HA ILE A 108 12.534 4.849 2.376 1.00 0.00 H new ATOM 0 HB ILE A 108 11.195 5.561 5.018 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.038 5.462 2.211 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.631 4.383 3.531 1.00 0.00 H new ATOM 0 HG21 ILE A 108 10.999 7.802 4.008 1.00 0.00 H new ATOM 0 HG22 ILE A 108 12.698 7.290 4.149 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.877 7.226 2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.916 6.106 3.247 1.00 0.00 H new ATOM 0 HD12 ILE A 108 8.724 6.283 4.823 1.00 0.00 H new ATOM 0 HD13 ILE A 108 9.137 7.379 3.483 1.00 0.00 H new