USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 546 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 43 SER OG : rot -38:sc= 0.049 USER MOD Single : A 44 MET CE :methyl 164:sc= -0.0553 (180deg=-0.483) USER MOD Single : A 55 LYS NZ :NH3+ 164:sc= -0.0649 (180deg=-0.37) USER MOD Single : A 58 LYS NZ :NH3+ 165:sc= -0.0357 (180deg=-0.35) USER MOD Single : A 60 ASN : amide:sc= -3.54! K(o=-3.5!,f=-0.17) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -167:sc= -0.0305 (180deg=-0.229) USER MOD Single : A 67 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 69 SER OG : rot -78:sc= 1.23 USER MOD Single : A 72 MET CE :methyl -162:sc= -0.135 (180deg=-0.56) USER MOD Single : B 43 SER OG : rot 23:sc= 0.23 USER MOD Single : B 44 MET CE :methyl 161:sc= -0.142 (180deg=-0.578) USER MOD Single : B 55 LYS NZ :NH3+ 167:sc= -0.0187 (180deg=-0.276) USER MOD Single : B 58 LYS NZ :NH3+ 167:sc= -0.0312 (180deg=-0.241) USER MOD Single : B 60 ASN : amide:sc= -3.23! K(o=-3.2!,f=-0.11) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 LYS NZ :NH3+ -167:sc= -0.0474 (180deg=-0.274) USER MOD Single : B 67 THR OG1 : rot 180:sc= -1.02 USER MOD Single : B 69 SER OG : rot -75:sc= 1.21 USER MOD Single : B 72 MET CE :methyl -162:sc= -0.0926 (180deg=-0.48) USER MOD ----------------------------------------------------------------- ATOM 581 N SER A 43 13.199 -6.124 7.543 1.00 0.00 N ATOM 582 CA SER A 43 12.387 -7.258 7.111 1.00 0.00 C ATOM 583 C SER A 43 11.203 -7.466 8.050 1.00 0.00 C ATOM 584 O SER A 43 11.363 -7.465 9.271 1.00 0.00 O ATOM 585 CB SER A 43 13.238 -8.528 7.050 1.00 0.00 C ATOM 586 OG SER A 43 13.769 -8.848 8.324 1.00 0.00 O ATOM 0 HA SER A 43 12.003 -7.041 6.114 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.632 -9.358 6.686 1.00 0.00 H new ATOM 0 HB3 SER A 43 14.051 -8.391 6.338 1.00 0.00 H new ATOM 0 HG SER A 43 14.028 -8.024 8.787 1.00 0.00 H new ATOM 592 N MET A 44 10.015 -7.647 7.477 1.00 0.00 N ATOM 593 CA MET A 44 8.811 -7.850 8.277 1.00 0.00 C ATOM 594 C MET A 44 7.775 -8.670 7.515 1.00 0.00 C ATOM 595 O MET A 44 7.324 -8.276 6.440 1.00 0.00 O ATOM 596 CB MET A 44 8.212 -6.503 8.688 1.00 0.00 C ATOM 597 CG MET A 44 6.994 -6.628 9.591 1.00 0.00 C ATOM 598 SD MET A 44 6.348 -5.029 10.118 1.00 0.00 S ATOM 599 CE MET A 44 5.832 -4.336 8.550 1.00 0.00 C ATOM 0 H MET A 44 9.861 -7.657 6.469 1.00 0.00 H new ATOM 0 HA MET A 44 9.094 -8.404 9.172 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.975 -5.917 9.200 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.934 -5.950 7.791 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.212 -7.175 9.065 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.258 -7.216 10.470 1.00 0.00 H new ATOM 0 HE1 MET A 44 5.165 -3.492 8.727 1.00 0.00 H new ATOM 0 HE2 MET A 44 6.708 -3.997 7.996 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.309 -5.097 7.971 1.00 0.00 H new ATOM 609 N GLU A 45 7.406 -9.814 8.083 1.00 0.00 N ATOM 610 CA GLU A 45 6.420 -10.694 7.467 1.00 0.00 C ATOM 611 C GLU A 45 5.033 -10.057 7.492 1.00 0.00 C ATOM 612 O GLU A 45 4.727 -9.252 8.373 1.00 0.00 O ATOM 613 CB GLU A 45 6.388 -12.039 8.195 1.00 0.00 C ATOM 614 CG GLU A 45 7.764 -12.653 8.398 1.00 0.00 C ATOM 615 CD GLU A 45 7.715 -13.948 9.185 1.00 0.00 C ATOM 616 OE1 GLU A 45 7.548 -15.017 8.560 1.00 0.00 O ATOM 617 OE2 GLU A 45 7.846 -13.893 10.426 1.00 0.00 O ATOM 0 H GLU A 45 7.776 -10.153 8.971 1.00 0.00 H new ATOM 0 HA GLU A 45 6.708 -10.855 6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.912 -11.906 9.166 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.769 -12.735 7.629 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.221 -12.840 7.426 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.403 -11.940 8.919 1.00 0.00 H new ATOM 624 N VAL A 46 4.198 -10.421 6.522 1.00 0.00 N ATOM 625 CA VAL A 46 2.844 -9.884 6.436 1.00 0.00 C ATOM 626 C VAL A 46 1.812 -11.005 6.310 1.00 0.00 C ATOM 627 O VAL A 46 2.068 -12.019 5.661 1.00 0.00 O ATOM 628 CB VAL A 46 2.693 -8.925 5.238 1.00 0.00 C ATOM 629 CG1 VAL A 46 3.614 -7.725 5.395 1.00 0.00 C ATOM 630 CG2 VAL A 46 2.974 -9.650 3.931 1.00 0.00 C ATOM 0 H VAL A 46 4.436 -11.085 5.785 1.00 0.00 H new ATOM 0 HA VAL A 46 2.665 -9.332 7.359 1.00 0.00 H new ATOM 0 HB VAL A 46 1.664 -8.566 5.214 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.493 -7.060 4.540 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.361 -7.190 6.310 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.648 -8.065 5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.862 -8.956 3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.991 -10.041 3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.270 -10.474 3.813 1.00 0.00 H new ATOM 640 N PRO A 47 0.630 -10.842 6.936 1.00 0.00 N ATOM 641 CA PRO A 47 -0.436 -11.827 6.892 1.00 0.00 C ATOM 642 C PRO A 47 -1.544 -11.445 5.914 1.00 0.00 C ATOM 643 O PRO A 47 -1.625 -10.300 5.469 1.00 0.00 O ATOM 644 CB PRO A 47 -0.955 -11.762 8.323 1.00 0.00 C ATOM 645 CG PRO A 47 -0.789 -10.324 8.724 1.00 0.00 C ATOM 646 CD PRO A 47 0.241 -9.712 7.792 1.00 0.00 C ATOM 0 HA PRO A 47 -0.100 -12.809 6.559 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.999 -12.071 8.380 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.390 -12.424 8.980 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -1.738 -9.792 8.650 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.461 -10.249 9.761 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -0.179 -8.892 7.210 1.00 0.00 H new ATOM 0 HD3 PRO A 47 1.093 -9.310 8.341 1.00 0.00 H new ATOM 654 N ALA A 48 -2.396 -12.410 5.584 1.00 0.00 N ATOM 655 CA ALA A 48 -3.499 -12.168 4.662 1.00 0.00 C ATOM 656 C ALA A 48 -4.658 -11.461 5.365 1.00 0.00 C ATOM 657 O ALA A 48 -4.938 -11.732 6.533 1.00 0.00 O ATOM 658 CB ALA A 48 -3.972 -13.476 4.046 1.00 0.00 C ATOM 0 H ALA A 48 -2.344 -13.364 5.940 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.138 -11.516 3.867 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.796 -13.278 3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.150 -13.940 3.501 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.310 -14.148 4.835 1.00 0.00 H new ATOM 664 N PRO A 49 -5.349 -10.542 4.663 1.00 0.00 N ATOM 665 CA PRO A 49 -6.477 -9.798 5.234 1.00 0.00 C ATOM 666 C PRO A 49 -7.700 -10.679 5.470 1.00 0.00 C ATOM 667 O PRO A 49 -8.353 -10.583 6.510 1.00 0.00 O ATOM 668 CB PRO A 49 -6.779 -8.737 4.174 1.00 0.00 C ATOM 669 CG PRO A 49 -6.284 -9.324 2.898 1.00 0.00 C ATOM 670 CD PRO A 49 -5.085 -10.155 3.263 1.00 0.00 C ATOM 0 HA PRO A 49 -6.234 -9.385 6.213 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.846 -8.521 4.123 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.274 -7.797 4.399 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.053 -9.935 2.425 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.016 -8.543 2.187 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.989 -11.027 2.616 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.159 -9.587 3.171 1.00 0.00 H new ATOM 678 N PHE A 50 -8.008 -11.537 4.502 1.00 0.00 N ATOM 679 CA PHE A 50 -9.157 -12.430 4.610 1.00 0.00 C ATOM 680 C PHE A 50 -8.908 -13.734 3.860 1.00 0.00 C ATOM 681 O PHE A 50 -8.063 -13.796 2.968 1.00 0.00 O ATOM 682 CB PHE A 50 -10.415 -11.747 4.061 1.00 0.00 C ATOM 683 CG PHE A 50 -10.360 -11.470 2.583 1.00 0.00 C ATOM 684 CD1 PHE A 50 -9.595 -10.425 2.089 1.00 0.00 C ATOM 685 CD2 PHE A 50 -11.074 -12.253 1.690 1.00 0.00 C ATOM 686 CE1 PHE A 50 -9.543 -10.167 0.732 1.00 0.00 C ATOM 687 CE2 PHE A 50 -11.025 -12.000 0.332 1.00 0.00 C ATOM 688 CZ PHE A 50 -10.259 -10.955 -0.147 1.00 0.00 C ATOM 0 H PHE A 50 -7.479 -11.633 3.635 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.306 -12.661 5.665 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -11.280 -12.376 4.271 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.568 -10.807 4.592 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -9.033 -9.805 2.772 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -11.676 -13.070 2.059 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -8.943 -9.350 0.360 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -11.585 -12.619 -0.354 1.00 0.00 H new ATOM 0 HZ PHE A 50 -10.220 -10.755 -1.208 1.00 0.00 H new ATOM 698 N ALA A 51 -9.646 -14.776 4.232 1.00 0.00 N ATOM 699 CA ALA A 51 -9.510 -16.074 3.584 1.00 0.00 C ATOM 700 C ALA A 51 -9.983 -15.998 2.138 1.00 0.00 C ATOM 701 O ALA A 51 -10.981 -15.343 1.839 1.00 0.00 O ATOM 702 CB ALA A 51 -10.294 -17.132 4.345 1.00 0.00 C ATOM 0 H ALA A 51 -10.342 -14.746 4.977 1.00 0.00 H new ATOM 0 HA ALA A 51 -8.457 -16.355 3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -10.182 -18.096 3.848 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.914 -17.203 5.364 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.348 -16.857 4.369 1.00 0.00 H new ATOM 708 N GLY A 52 -9.267 -16.670 1.243 1.00 0.00 N ATOM 709 CA GLY A 52 -9.637 -16.644 -0.161 1.00 0.00 C ATOM 710 C GLY A 52 -8.957 -17.724 -0.973 1.00 0.00 C ATOM 711 O GLY A 52 -8.395 -18.668 -0.420 1.00 0.00 O ATOM 0 H GLY A 52 -8.442 -17.229 1.462 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.718 -16.758 -0.248 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.384 -15.670 -0.579 1.00 0.00 H new ATOM 715 N VAL A 53 -9.019 -17.583 -2.291 1.00 0.00 N ATOM 716 CA VAL A 53 -8.404 -18.542 -3.198 1.00 0.00 C ATOM 717 C VAL A 53 -7.629 -17.819 -4.292 1.00 0.00 C ATOM 718 O VAL A 53 -8.142 -16.890 -4.918 1.00 0.00 O ATOM 719 CB VAL A 53 -9.456 -19.464 -3.848 1.00 0.00 C ATOM 720 CG1 VAL A 53 -8.789 -20.480 -4.764 1.00 0.00 C ATOM 721 CG2 VAL A 53 -10.286 -20.165 -2.782 1.00 0.00 C ATOM 0 H VAL A 53 -9.492 -16.809 -2.757 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.723 -19.154 -2.607 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.123 -18.848 -4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.549 -21.120 -5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.244 -19.958 -5.551 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.095 -21.091 -4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.022 -20.811 -3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.633 -20.766 -2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.798 -19.421 -2.172 1.00 0.00 H new ATOM 731 N VAL A 54 -6.391 -18.245 -4.519 1.00 0.00 N ATOM 732 CA VAL A 54 -5.552 -17.630 -5.538 1.00 0.00 C ATOM 733 C VAL A 54 -6.044 -17.991 -6.935 1.00 0.00 C ATOM 734 O VAL A 54 -5.781 -19.085 -7.433 1.00 0.00 O ATOM 735 CB VAL A 54 -4.079 -18.061 -5.393 1.00 0.00 C ATOM 736 CG1 VAL A 54 -3.222 -17.433 -6.483 1.00 0.00 C ATOM 737 CG2 VAL A 54 -3.549 -17.695 -4.016 1.00 0.00 C ATOM 0 H VAL A 54 -5.948 -19.012 -4.012 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.617 -16.551 -5.397 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.028 -19.144 -5.504 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.187 -17.751 -6.361 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.586 -17.750 -7.460 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.279 -16.347 -6.410 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.508 -18.007 -3.932 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.617 -16.616 -3.875 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.141 -18.199 -3.252 1.00 0.00 H new ATOM 747 N LYS A 55 -6.764 -17.065 -7.561 1.00 0.00 N ATOM 748 CA LYS A 55 -7.294 -17.289 -8.900 1.00 0.00 C ATOM 749 C LYS A 55 -6.339 -16.759 -9.966 1.00 0.00 C ATOM 750 O LYS A 55 -6.141 -17.394 -11.002 1.00 0.00 O ATOM 751 CB LYS A 55 -8.666 -16.626 -9.047 1.00 0.00 C ATOM 752 CG LYS A 55 -8.660 -15.135 -8.755 1.00 0.00 C ATOM 753 CD LYS A 55 -10.052 -14.538 -8.883 1.00 0.00 C ATOM 754 CE LYS A 55 -10.037 -13.037 -8.647 1.00 0.00 C ATOM 755 NZ LYS A 55 -9.174 -12.330 -9.634 1.00 0.00 N ATOM 0 H LYS A 55 -6.993 -16.154 -7.163 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.401 -18.364 -9.043 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.030 -16.787 -10.062 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.370 -17.116 -8.374 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.280 -14.962 -7.748 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.982 -14.631 -9.443 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.449 -14.747 -9.876 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.721 -15.014 -8.166 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.054 -12.649 -8.710 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.679 -12.831 -7.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.393 -11.313 -9.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.174 -12.471 -9.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.351 -12.711 -10.585 1.00 0.00 H new ATOM 769 N GLU A 56 -5.749 -15.594 -9.708 1.00 0.00 N ATOM 770 CA GLU A 56 -4.816 -14.989 -10.653 1.00 0.00 C ATOM 771 C GLU A 56 -3.759 -14.156 -9.933 1.00 0.00 C ATOM 772 O GLU A 56 -4.083 -13.280 -9.130 1.00 0.00 O ATOM 773 CB GLU A 56 -5.571 -14.116 -11.659 1.00 0.00 C ATOM 774 CG GLU A 56 -4.669 -13.456 -12.691 1.00 0.00 C ATOM 775 CD GLU A 56 -5.442 -12.625 -13.697 1.00 0.00 C ATOM 776 OE1 GLU A 56 -5.712 -11.441 -13.406 1.00 0.00 O ATOM 777 OE2 GLU A 56 -5.777 -13.158 -14.775 1.00 0.00 O ATOM 0 H GLU A 56 -5.900 -15.053 -8.857 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.310 -15.795 -11.184 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.311 -14.728 -12.174 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.117 -13.343 -11.118 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.945 -12.821 -12.181 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.104 -14.225 -13.218 1.00 0.00 H new ATOM 784 N LEU A 57 -2.494 -14.440 -10.228 1.00 0.00 N ATOM 785 CA LEU A 57 -1.379 -13.717 -9.623 1.00 0.00 C ATOM 786 C LEU A 57 -1.112 -12.416 -10.375 1.00 0.00 C ATOM 787 O LEU A 57 -1.354 -12.325 -11.579 1.00 0.00 O ATOM 788 CB LEU A 57 -0.122 -14.593 -9.624 1.00 0.00 C ATOM 789 CG LEU A 57 1.110 -13.970 -8.963 1.00 0.00 C ATOM 790 CD1 LEU A 57 0.861 -13.728 -7.482 1.00 0.00 C ATOM 791 CD2 LEU A 57 2.326 -14.863 -9.162 1.00 0.00 C ATOM 0 H LEU A 57 -2.214 -15.169 -10.885 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.642 -13.474 -8.594 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.352 -15.530 -9.116 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.126 -14.842 -10.656 1.00 0.00 H new ATOM 0 HG LEU A 57 1.305 -13.008 -9.437 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.749 -13.285 -7.031 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.016 -13.050 -7.361 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.639 -14.675 -6.991 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.194 -14.407 -8.686 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.138 -15.839 -8.714 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.518 -14.984 -10.228 1.00 0.00 H new ATOM 803 N LYS A 58 -0.611 -11.410 -9.662 1.00 0.00 N ATOM 804 CA LYS A 58 -0.320 -10.117 -10.271 1.00 0.00 C ATOM 805 C LYS A 58 1.178 -9.825 -10.273 1.00 0.00 C ATOM 806 O LYS A 58 1.703 -9.247 -11.225 1.00 0.00 O ATOM 807 CB LYS A 58 -1.065 -9.005 -9.531 1.00 0.00 C ATOM 808 CG LYS A 58 -0.824 -7.622 -10.112 1.00 0.00 C ATOM 809 CD LYS A 58 -1.622 -6.561 -9.374 1.00 0.00 C ATOM 810 CE LYS A 58 -1.396 -5.180 -9.971 1.00 0.00 C ATOM 811 NZ LYS A 58 -1.756 -5.134 -11.415 1.00 0.00 N ATOM 0 H LYS A 58 -0.399 -11.466 -8.666 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.659 -10.154 -11.306 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.134 -9.218 -9.553 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.760 -9.009 -8.484 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.238 -7.383 -10.057 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.098 -7.617 -11.167 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.683 -6.808 -9.415 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.337 -6.555 -8.322 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.990 -4.447 -9.425 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.350 -4.898 -9.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.834 -4.143 -11.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.019 -5.612 -11.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.667 -5.614 -11.561 1.00 0.00 H new ATOM 825 N VAL A 59 1.864 -10.229 -9.207 1.00 0.00 N ATOM 826 CA VAL A 59 3.302 -10.000 -9.096 1.00 0.00 C ATOM 827 C VAL A 59 4.068 -11.317 -9.007 1.00 0.00 C ATOM 828 O VAL A 59 3.636 -12.255 -8.339 1.00 0.00 O ATOM 829 CB VAL A 59 3.643 -9.134 -7.866 1.00 0.00 C ATOM 830 CG1 VAL A 59 3.017 -7.754 -7.991 1.00 0.00 C ATOM 831 CG2 VAL A 59 3.189 -9.817 -6.585 1.00 0.00 C ATOM 0 H VAL A 59 1.450 -10.714 -8.411 1.00 0.00 H new ATOM 0 HA VAL A 59 3.605 -9.469 -9.999 1.00 0.00 H new ATOM 0 HB VAL A 59 4.726 -9.014 -7.822 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.270 -7.159 -7.113 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.398 -7.261 -8.885 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.934 -7.851 -8.064 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.439 -9.189 -5.730 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.111 -9.972 -6.618 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.691 -10.779 -6.488 1.00 0.00 H new ATOM 841 N ASN A 60 5.211 -11.374 -9.686 1.00 0.00 N ATOM 842 CA ASN A 60 6.043 -12.574 -9.692 1.00 0.00 C ATOM 843 C ASN A 60 7.221 -12.428 -8.734 1.00 0.00 C ATOM 844 O ASN A 60 7.691 -11.319 -8.479 1.00 0.00 O ATOM 845 CB ASN A 60 6.557 -12.858 -11.106 1.00 0.00 C ATOM 846 CG ASN A 60 5.468 -13.356 -12.040 1.00 0.00 C ATOM 847 OD1 ASN A 60 5.729 -14.154 -12.940 1.00 0.00 O ATOM 848 ND2 ASN A 60 4.242 -12.887 -11.835 1.00 0.00 N ATOM 0 H ASN A 60 5.582 -10.602 -10.240 1.00 0.00 H new ATOM 0 HA ASN A 60 5.428 -13.410 -9.359 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.994 -11.949 -11.518 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.353 -13.600 -11.056 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.474 -13.187 -12.435 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.069 -12.227 -11.077 1.00 0.00 H new ATOM 855 N VAL A 61 7.687 -13.556 -8.204 1.00 0.00 N ATOM 856 CA VAL A 61 8.814 -13.562 -7.277 1.00 0.00 C ATOM 857 C VAL A 61 10.007 -12.812 -7.860 1.00 0.00 C ATOM 858 O VAL A 61 10.354 -12.989 -9.029 1.00 0.00 O ATOM 859 CB VAL A 61 9.246 -15.001 -6.931 1.00 0.00 C ATOM 860 CG1 VAL A 61 10.402 -14.997 -5.941 1.00 0.00 C ATOM 861 CG2 VAL A 61 8.068 -15.793 -6.382 1.00 0.00 C ATOM 0 H VAL A 61 7.300 -14.479 -8.401 1.00 0.00 H new ATOM 0 HA VAL A 61 8.481 -13.061 -6.368 1.00 0.00 H new ATOM 0 HB VAL A 61 9.589 -15.484 -7.846 1.00 0.00 H new ATOM 0 HG11 VAL A 61 10.689 -16.023 -5.712 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.252 -14.471 -6.376 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.094 -14.494 -5.024 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.391 -16.806 -6.143 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.693 -15.309 -5.480 1.00 0.00 H new ATOM 0 HG23 VAL A 61 7.275 -15.831 -7.129 1.00 0.00 H new ATOM 871 N GLY A 62 10.630 -11.973 -7.039 1.00 0.00 N ATOM 872 CA GLY A 62 11.774 -11.206 -7.491 1.00 0.00 C ATOM 873 C GLY A 62 11.404 -9.784 -7.863 1.00 0.00 C ATOM 874 O GLY A 62 12.277 -8.939 -8.065 1.00 0.00 O ATOM 0 H GLY A 62 10.362 -11.811 -6.068 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.530 -11.189 -6.706 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.222 -11.700 -8.353 1.00 0.00 H new ATOM 878 N ASP A 63 10.105 -9.520 -7.953 1.00 0.00 N ATOM 879 CA ASP A 63 9.615 -8.192 -8.303 1.00 0.00 C ATOM 880 C ASP A 63 9.269 -7.393 -7.050 1.00 0.00 C ATOM 881 O ASP A 63 8.264 -7.661 -6.390 1.00 0.00 O ATOM 882 CB ASP A 63 8.387 -8.301 -9.209 1.00 0.00 C ATOM 883 CG ASP A 63 7.828 -6.945 -9.593 1.00 0.00 C ATOM 884 OD1 ASP A 63 8.303 -6.368 -10.594 1.00 0.00 O ATOM 885 OD2 ASP A 63 6.913 -6.460 -8.894 1.00 0.00 O ATOM 0 H ASP A 63 9.372 -10.209 -7.788 1.00 0.00 H new ATOM 0 HA ASP A 63 10.407 -7.669 -8.839 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.653 -8.850 -10.112 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.615 -8.878 -8.701 1.00 0.00 H new ATOM 890 N LYS A 64 10.113 -6.416 -6.725 1.00 0.00 N ATOM 891 CA LYS A 64 9.900 -5.573 -5.553 1.00 0.00 C ATOM 892 C LYS A 64 8.493 -4.980 -5.550 1.00 0.00 C ATOM 893 O LYS A 64 7.891 -4.775 -6.604 1.00 0.00 O ATOM 894 CB LYS A 64 10.939 -4.450 -5.508 1.00 0.00 C ATOM 895 CG LYS A 64 10.873 -3.506 -6.699 1.00 0.00 C ATOM 896 CD LYS A 64 11.877 -2.371 -6.570 1.00 0.00 C ATOM 897 CE LYS A 64 13.309 -2.877 -6.657 1.00 0.00 C ATOM 898 NZ LYS A 64 14.298 -1.786 -6.437 1.00 0.00 N ATOM 0 H LYS A 64 10.952 -6.189 -7.259 1.00 0.00 H new ATOM 0 HA LYS A 64 10.011 -6.198 -4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.800 -3.875 -4.592 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.935 -4.890 -5.460 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.068 -4.062 -7.616 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.867 -3.095 -6.783 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.701 -1.638 -7.357 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.728 -1.859 -5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.463 -3.661 -5.916 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.476 -3.327 -7.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.261 -2.172 -6.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.169 -1.049 -7.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.156 -1.374 -5.493 1.00 0.00 H new ATOM 912 N VAL A 65 7.977 -4.709 -4.355 1.00 0.00 N ATOM 913 CA VAL A 65 6.641 -4.145 -4.205 1.00 0.00 C ATOM 914 C VAL A 65 6.711 -2.693 -3.742 1.00 0.00 C ATOM 915 O VAL A 65 7.744 -2.238 -3.251 1.00 0.00 O ATOM 916 CB VAL A 65 5.807 -4.959 -3.195 1.00 0.00 C ATOM 917 CG1 VAL A 65 6.275 -4.694 -1.771 1.00 0.00 C ATOM 918 CG2 VAL A 65 4.326 -4.648 -3.346 1.00 0.00 C ATOM 0 H VAL A 65 8.466 -4.872 -3.475 1.00 0.00 H new ATOM 0 HA VAL A 65 6.160 -4.187 -5.182 1.00 0.00 H new ATOM 0 HB VAL A 65 5.954 -6.018 -3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.673 -5.278 -1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.322 -4.980 -1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.165 -3.634 -1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.756 -5.233 -2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.157 -3.586 -3.167 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.002 -4.902 -4.355 1.00 0.00 H new ATOM 928 N LYS A 66 5.607 -1.969 -3.901 1.00 0.00 N ATOM 929 CA LYS A 66 5.546 -0.572 -3.491 1.00 0.00 C ATOM 930 C LYS A 66 4.217 -0.263 -2.811 1.00 0.00 C ATOM 931 O LYS A 66 3.187 -0.848 -3.144 1.00 0.00 O ATOM 932 CB LYS A 66 5.743 0.345 -4.698 1.00 0.00 C ATOM 933 CG LYS A 66 7.091 0.170 -5.376 1.00 0.00 C ATOM 934 CD LYS A 66 7.255 1.123 -6.547 1.00 0.00 C ATOM 935 CE LYS A 66 8.600 0.939 -7.230 1.00 0.00 C ATOM 936 NZ LYS A 66 9.736 1.193 -6.301 1.00 0.00 N ATOM 0 H LYS A 66 4.744 -2.327 -4.310 1.00 0.00 H new ATOM 0 HA LYS A 66 6.349 -0.393 -2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.952 0.153 -5.423 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.637 1.382 -4.378 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.888 0.341 -4.652 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.193 -0.858 -5.725 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.454 0.957 -7.267 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.161 2.151 -6.197 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.672 -0.076 -7.622 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.670 1.616 -8.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.618 1.275 -6.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.567 2.077 -5.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.817 0.405 -5.628 1.00 0.00 H new ATOM 950 N THR A 67 4.251 0.659 -1.856 1.00 0.00 N ATOM 951 CA THR A 67 3.052 1.046 -1.124 1.00 0.00 C ATOM 952 C THR A 67 2.056 1.754 -2.037 1.00 0.00 C ATOM 953 O THR A 67 2.381 2.767 -2.657 1.00 0.00 O ATOM 954 CB THR A 67 3.392 1.971 0.059 1.00 0.00 C ATOM 955 OG1 THR A 67 4.421 1.381 0.862 1.00 0.00 O ATOM 956 CG2 THR A 67 2.161 2.229 0.916 1.00 0.00 C ATOM 0 H THR A 67 5.097 1.153 -1.571 1.00 0.00 H new ATOM 0 HA THR A 67 2.604 0.129 -0.742 1.00 0.00 H new ATOM 0 HB THR A 67 3.743 2.922 -0.342 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.633 1.976 1.611 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.426 2.885 1.745 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.389 2.704 0.310 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.785 1.283 1.307 1.00 0.00 H new ATOM 964 N GLY A 68 0.844 1.214 -2.113 1.00 0.00 N ATOM 965 CA GLY A 68 -0.183 1.808 -2.950 1.00 0.00 C ATOM 966 C GLY A 68 -0.566 0.923 -4.119 1.00 0.00 C ATOM 967 O GLY A 68 -1.601 1.134 -4.752 1.00 0.00 O ATOM 0 H GLY A 68 0.554 0.375 -1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.068 2.009 -2.346 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.170 2.768 -3.326 1.00 0.00 H new ATOM 971 N SER A 69 0.268 -0.072 -4.406 1.00 0.00 N ATOM 972 CA SER A 69 0.008 -0.991 -5.509 1.00 0.00 C ATOM 973 C SER A 69 -0.675 -2.259 -5.009 1.00 0.00 C ATOM 974 O SER A 69 -0.865 -2.441 -3.806 1.00 0.00 O ATOM 975 CB SER A 69 1.313 -1.347 -6.222 1.00 0.00 C ATOM 976 OG SER A 69 2.209 -2.011 -5.347 1.00 0.00 O ATOM 0 H SER A 69 1.128 -0.262 -3.891 1.00 0.00 H new ATOM 0 HA SER A 69 -0.659 -0.495 -6.214 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.100 -1.984 -7.081 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.780 -0.440 -6.606 1.00 0.00 H new ATOM 0 HG SER A 69 2.642 -1.354 -4.762 1.00 0.00 H new ATOM 982 N LEU A 70 -1.042 -3.133 -5.941 1.00 0.00 N ATOM 983 CA LEU A 70 -1.705 -4.385 -5.596 1.00 0.00 C ATOM 984 C LEU A 70 -0.713 -5.544 -5.622 1.00 0.00 C ATOM 985 O LEU A 70 0.412 -5.399 -6.101 1.00 0.00 O ATOM 986 CB LEU A 70 -2.862 -4.661 -6.561 1.00 0.00 C ATOM 987 CG LEU A 70 -3.973 -3.606 -6.570 1.00 0.00 C ATOM 988 CD1 LEU A 70 -3.549 -2.379 -7.364 1.00 0.00 C ATOM 989 CD2 LEU A 70 -5.256 -4.190 -7.140 1.00 0.00 C ATOM 0 H LEU A 70 -0.891 -2.997 -6.941 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.104 -4.292 -4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.459 -4.749 -7.570 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.302 -5.626 -6.308 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.158 -3.298 -5.541 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.354 -1.644 -7.356 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.657 -1.944 -6.913 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.332 -2.668 -8.392 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.035 -3.427 -7.139 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.080 -4.528 -8.161 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.574 -5.034 -6.529 1.00 0.00 H new ATOM 1001 N ILE A 71 -1.134 -6.695 -5.105 1.00 0.00 N ATOM 1002 CA ILE A 71 -0.275 -7.873 -5.069 1.00 0.00 C ATOM 1003 C ILE A 71 -1.009 -9.121 -5.553 1.00 0.00 C ATOM 1004 O ILE A 71 -0.510 -9.847 -6.413 1.00 0.00 O ATOM 1005 CB ILE A 71 0.278 -8.124 -3.651 1.00 0.00 C ATOM 1006 CG1 ILE A 71 -0.846 -8.028 -2.613 1.00 0.00 C ATOM 1007 CG2 ILE A 71 1.387 -7.130 -3.337 1.00 0.00 C ATOM 1008 CD1 ILE A 71 -0.405 -8.366 -1.203 1.00 0.00 C ATOM 0 H ILE A 71 -2.062 -6.836 -4.706 1.00 0.00 H new ATOM 0 HA ILE A 71 0.557 -7.671 -5.744 1.00 0.00 H new ATOM 0 HB ILE A 71 0.694 -9.131 -3.610 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.253 -7.017 -2.624 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.654 -8.700 -2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.770 -7.317 -2.334 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.194 -7.245 -4.060 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.992 -6.115 -3.392 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.254 -8.276 -0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.025 -9.387 -1.176 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.382 -7.678 -0.893 1.00 0.00 H new ATOM 1020 N MET A 72 -2.194 -9.367 -5.000 1.00 0.00 N ATOM 1021 CA MET A 72 -2.991 -10.530 -5.379 1.00 0.00 C ATOM 1022 C MET A 72 -4.483 -10.231 -5.269 1.00 0.00 C ATOM 1023 O MET A 72 -4.882 -9.209 -4.712 1.00 0.00 O ATOM 1024 CB MET A 72 -2.639 -11.731 -4.497 1.00 0.00 C ATOM 1025 CG MET A 72 -1.248 -12.290 -4.752 1.00 0.00 C ATOM 1026 SD MET A 72 -0.890 -13.748 -3.752 1.00 0.00 S ATOM 1027 CE MET A 72 -0.981 -13.061 -2.101 1.00 0.00 C ATOM 0 H MET A 72 -2.623 -8.776 -4.288 1.00 0.00 H new ATOM 0 HA MET A 72 -2.760 -10.768 -6.417 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.716 -11.437 -3.450 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.374 -12.519 -4.662 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.151 -12.545 -5.807 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.507 -11.519 -4.541 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.482 -13.731 -1.400 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.491 -12.088 -2.084 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.026 -12.946 -1.812 1.00 0.00 H new ATOM 1037 N ILE A 73 -5.302 -11.131 -5.808 1.00 0.00 N ATOM 1038 CA ILE A 73 -6.751 -10.970 -5.769 1.00 0.00 C ATOM 1039 C ILE A 73 -7.432 -12.280 -5.386 1.00 0.00 C ATOM 1040 O ILE A 73 -7.154 -13.328 -5.971 1.00 0.00 O ATOM 1041 CB ILE A 73 -7.308 -10.496 -7.127 1.00 0.00 C ATOM 1042 CG1 ILE A 73 -6.500 -9.305 -7.650 1.00 0.00 C ATOM 1043 CG2 ILE A 73 -8.779 -10.127 -6.992 1.00 0.00 C ATOM 1044 CD1 ILE A 73 -6.872 -8.890 -9.057 1.00 0.00 C ATOM 0 H ILE A 73 -4.985 -11.980 -6.277 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.964 -10.211 -5.017 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.220 -11.311 -7.845 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.644 -8.457 -6.980 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.440 -9.556 -7.623 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.161 -9.794 -7.957 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.344 -10.998 -6.660 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.887 -9.324 -6.263 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.259 -8.041 -9.360 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.701 -9.723 -9.739 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.924 -8.607 -9.087 1.00 0.00 H new ATOM 1056 N PHE A 74 -8.319 -12.217 -4.399 1.00 0.00 N ATOM 1057 CA PHE A 74 -9.038 -13.400 -3.939 1.00 0.00 C ATOM 1058 C PHE A 74 -10.508 -13.345 -4.335 1.00 0.00 C ATOM 1059 O PHE A 74 -11.038 -12.280 -4.646 1.00 0.00 O ATOM 1060 CB PHE A 74 -8.928 -13.532 -2.421 1.00 0.00 C ATOM 1061 CG PHE A 74 -7.516 -13.581 -1.923 1.00 0.00 C ATOM 1062 CD1 PHE A 74 -6.725 -14.690 -2.160 1.00 0.00 C ATOM 1063 CD2 PHE A 74 -6.984 -12.520 -1.210 1.00 0.00 C ATOM 1064 CE1 PHE A 74 -5.426 -14.742 -1.697 1.00 0.00 C ATOM 1065 CE2 PHE A 74 -5.686 -12.564 -0.745 1.00 0.00 C ATOM 1066 CZ PHE A 74 -4.904 -13.677 -0.988 1.00 0.00 C ATOM 0 H PHE A 74 -8.558 -11.359 -3.902 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.582 -14.267 -4.416 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.440 -12.691 -1.954 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.447 -14.437 -2.105 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.128 -15.525 -2.714 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.592 -11.649 -1.016 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.818 -15.614 -1.889 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.281 -11.729 -0.192 1.00 0.00 H new ATOM 0 HZ PHE A 74 -3.888 -13.714 -0.625 1.00 0.00 H new ATOM 1076 N GLU A 75 -11.156 -14.505 -4.321 1.00 0.00 N ATOM 1077 CA GLU A 75 -12.569 -14.600 -4.661 1.00 0.00 C ATOM 1078 C GLU A 75 -13.297 -15.457 -3.631 1.00 0.00 C ATOM 1079 O GLU A 75 -13.350 -16.681 -3.754 1.00 0.00 O ATOM 1080 CB GLU A 75 -12.743 -15.189 -6.064 1.00 0.00 C ATOM 1081 CG GLU A 75 -14.160 -15.080 -6.609 1.00 0.00 C ATOM 1082 CD GLU A 75 -15.112 -16.083 -5.986 1.00 0.00 C ATOM 1083 OE1 GLU A 75 -15.108 -17.255 -6.420 1.00 0.00 O ATOM 1084 OE2 GLU A 75 -15.862 -15.697 -5.065 1.00 0.00 O ATOM 0 H GLU A 75 -10.722 -15.395 -4.077 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.000 -13.599 -4.653 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.062 -14.682 -6.747 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -12.452 -16.239 -6.045 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.535 -14.072 -6.432 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -14.141 -15.228 -7.689 1.00 0.00 H new ATOM 1091 N VAL A 76 -13.845 -14.806 -2.610 1.00 0.00 N ATOM 1092 CA VAL A 76 -14.563 -15.508 -1.554 1.00 0.00 C ATOM 1093 C VAL A 76 -16.047 -15.635 -1.885 1.00 0.00 C ATOM 1094 O VAL A 76 -16.743 -14.637 -2.068 1.00 0.00 O ATOM 1095 CB VAL A 76 -14.396 -14.801 -0.191 1.00 0.00 C ATOM 1096 CG1 VAL A 76 -14.713 -13.318 -0.307 1.00 0.00 C ATOM 1097 CG2 VAL A 76 -15.272 -15.455 0.868 1.00 0.00 C ATOM 0 H VAL A 76 -13.805 -13.794 -2.492 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.130 -16.506 -1.485 1.00 0.00 H new ATOM 0 HB VAL A 76 -13.355 -14.903 0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -14.588 -12.842 0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -14.036 -12.856 -1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.742 -13.191 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -15.138 -14.941 1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -16.317 -15.392 0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.989 -16.502 0.979 1.00 0.00 H new ATOM 1853 N SER B 43 -15.186 -11.385 -4.686 1.00 0.00 N ATOM 1854 CA SER B 43 -13.821 -11.106 -5.113 1.00 0.00 C ATOM 1855 C SER B 43 -13.422 -9.678 -4.759 1.00 0.00 C ATOM 1856 O SER B 43 -14.126 -8.726 -5.097 1.00 0.00 O ATOM 1857 CB SER B 43 -13.679 -11.327 -6.621 1.00 0.00 C ATOM 1858 OG SER B 43 -14.558 -10.484 -7.345 1.00 0.00 O ATOM 0 HA SER B 43 -13.156 -11.792 -4.588 1.00 0.00 H new ATOM 0 HB2 SER B 43 -12.651 -11.132 -6.925 1.00 0.00 H new ATOM 0 HB3 SER B 43 -13.890 -12.369 -6.860 1.00 0.00 H new ATOM 0 HG SER B 43 -14.798 -9.711 -6.793 1.00 0.00 H new ATOM 1864 N MET B 44 -12.290 -9.533 -4.074 1.00 0.00 N ATOM 1865 CA MET B 44 -11.804 -8.217 -3.678 1.00 0.00 C ATOM 1866 C MET B 44 -10.282 -8.145 -3.764 1.00 0.00 C ATOM 1867 O MET B 44 -9.577 -8.960 -3.168 1.00 0.00 O ATOM 1868 CB MET B 44 -12.263 -7.891 -2.256 1.00 0.00 C ATOM 1869 CG MET B 44 -11.868 -6.499 -1.792 1.00 0.00 C ATOM 1870 SD MET B 44 -12.493 -6.113 -0.145 1.00 0.00 S ATOM 1871 CE MET B 44 -11.657 -7.357 0.835 1.00 0.00 C ATOM 0 H MET B 44 -11.695 -10.309 -3.783 1.00 0.00 H new ATOM 0 HA MET B 44 -12.220 -7.482 -4.367 1.00 0.00 H new ATOM 0 HB2 MET B 44 -13.347 -7.989 -2.202 1.00 0.00 H new ATOM 0 HB3 MET B 44 -11.842 -8.626 -1.570 1.00 0.00 H new ATOM 0 HG2 MET B 44 -10.781 -6.415 -1.793 1.00 0.00 H new ATOM 0 HG3 MET B 44 -12.246 -5.763 -2.502 1.00 0.00 H new ATOM 0 HE1 MET B 44 -11.661 -7.058 1.883 1.00 0.00 H new ATOM 0 HE2 MET B 44 -12.172 -8.312 0.728 1.00 0.00 H new ATOM 0 HE3 MET B 44 -10.628 -7.460 0.491 1.00 0.00 H new ATOM 1881 N GLU B 45 -9.784 -7.164 -4.510 1.00 0.00 N ATOM 1882 CA GLU B 45 -8.347 -6.980 -4.672 1.00 0.00 C ATOM 1883 C GLU B 45 -7.725 -6.447 -3.386 1.00 0.00 C ATOM 1884 O GLU B 45 -8.390 -5.771 -2.601 1.00 0.00 O ATOM 1885 CB GLU B 45 -8.064 -6.015 -5.826 1.00 0.00 C ATOM 1886 CG GLU B 45 -8.743 -6.406 -7.128 1.00 0.00 C ATOM 1887 CD GLU B 45 -8.503 -5.399 -8.237 1.00 0.00 C ATOM 1888 OE1 GLU B 45 -7.503 -5.550 -8.970 1.00 0.00 O ATOM 1889 OE2 GLU B 45 -9.316 -4.461 -8.372 1.00 0.00 O ATOM 0 H GLU B 45 -10.355 -6.484 -5.012 1.00 0.00 H new ATOM 0 HA GLU B 45 -7.901 -7.948 -4.900 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -8.392 -5.015 -5.541 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -6.988 -5.963 -5.989 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -8.378 -7.383 -7.444 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -9.815 -6.506 -6.959 1.00 0.00 H new ATOM 1896 N VAL B 46 -6.449 -6.754 -3.173 1.00 0.00 N ATOM 1897 CA VAL B 46 -5.746 -6.300 -1.979 1.00 0.00 C ATOM 1898 C VAL B 46 -4.427 -5.613 -2.336 1.00 0.00 C ATOM 1899 O VAL B 46 -3.734 -6.033 -3.263 1.00 0.00 O ATOM 1900 CB VAL B 46 -5.460 -7.465 -1.011 1.00 0.00 C ATOM 1901 CG1 VAL B 46 -6.758 -8.097 -0.534 1.00 0.00 C ATOM 1902 CG2 VAL B 46 -4.565 -8.506 -1.669 1.00 0.00 C ATOM 0 H VAL B 46 -5.882 -7.314 -3.810 1.00 0.00 H new ATOM 0 HA VAL B 46 -6.403 -5.583 -1.487 1.00 0.00 H new ATOM 0 HB VAL B 46 -4.935 -7.065 -0.143 1.00 0.00 H new ATOM 0 HG11 VAL B 46 -6.534 -8.917 0.148 1.00 0.00 H new ATOM 0 HG12 VAL B 46 -7.359 -7.349 -0.017 1.00 0.00 H new ATOM 0 HG13 VAL B 46 -7.313 -8.479 -1.391 1.00 0.00 H new ATOM 0 HG21 VAL B 46 -4.376 -9.319 -0.968 1.00 0.00 H new ATOM 0 HG22 VAL B 46 -5.058 -8.900 -2.558 1.00 0.00 H new ATOM 0 HG23 VAL B 46 -3.619 -8.045 -1.953 1.00 0.00 H new ATOM 1912 N PRO B 47 -4.062 -4.544 -1.602 1.00 0.00 N ATOM 1913 CA PRO B 47 -2.833 -3.803 -1.830 1.00 0.00 C ATOM 1914 C PRO B 47 -1.740 -4.168 -0.831 1.00 0.00 C ATOM 1915 O PRO B 47 -1.997 -4.836 0.171 1.00 0.00 O ATOM 1916 CB PRO B 47 -3.299 -2.370 -1.597 1.00 0.00 C ATOM 1917 CG PRO B 47 -4.367 -2.477 -0.544 1.00 0.00 C ATOM 1918 CD PRO B 47 -4.839 -3.918 -0.524 1.00 0.00 C ATOM 0 HA PRO B 47 -2.392 -3.996 -2.808 1.00 0.00 H new ATOM 0 HB2 PRO B 47 -2.477 -1.737 -1.263 1.00 0.00 H new ATOM 0 HB3 PRO B 47 -3.690 -1.928 -2.513 1.00 0.00 H new ATOM 0 HG2 PRO B 47 -3.975 -2.188 0.431 1.00 0.00 H new ATOM 0 HG3 PRO B 47 -5.195 -1.805 -0.767 1.00 0.00 H new ATOM 0 HD2 PRO B 47 -4.645 -4.391 0.439 1.00 0.00 H new ATOM 0 HD3 PRO B 47 -5.911 -3.993 -0.706 1.00 0.00 H new ATOM 1926 N ALA B 48 -0.518 -3.725 -1.111 1.00 0.00 N ATOM 1927 CA ALA B 48 0.613 -4.003 -0.236 1.00 0.00 C ATOM 1928 C ALA B 48 0.642 -3.031 0.944 1.00 0.00 C ATOM 1929 O ALA B 48 0.318 -1.854 0.789 1.00 0.00 O ATOM 1930 CB ALA B 48 1.915 -3.925 -1.018 1.00 0.00 C ATOM 0 H ALA B 48 -0.287 -3.172 -1.937 1.00 0.00 H new ATOM 0 HA ALA B 48 0.499 -5.013 0.159 1.00 0.00 H new ATOM 0 HB1 ALA B 48 2.752 -4.135 -0.352 1.00 0.00 H new ATOM 0 HB2 ALA B 48 1.900 -4.658 -1.824 1.00 0.00 H new ATOM 0 HB3 ALA B 48 2.027 -2.926 -1.439 1.00 0.00 H new ATOM 1936 N PRO B 49 1.031 -3.509 2.142 1.00 0.00 N ATOM 1937 CA PRO B 49 1.095 -2.665 3.340 1.00 0.00 C ATOM 1938 C PRO B 49 2.217 -1.634 3.265 1.00 0.00 C ATOM 1939 O PRO B 49 2.023 -0.468 3.611 1.00 0.00 O ATOM 1940 CB PRO B 49 1.361 -3.664 4.469 1.00 0.00 C ATOM 1941 CG PRO B 49 2.026 -4.819 3.806 1.00 0.00 C ATOM 1942 CD PRO B 49 1.436 -4.901 2.425 1.00 0.00 C ATOM 0 HA PRO B 49 0.183 -2.083 3.475 1.00 0.00 H new ATOM 0 HB2 PRO B 49 1.998 -3.230 5.239 1.00 0.00 H new ATOM 0 HB3 PRO B 49 0.434 -3.967 4.955 1.00 0.00 H new ATOM 0 HG2 PRO B 49 3.105 -4.674 3.761 1.00 0.00 H new ATOM 0 HG3 PRO B 49 1.851 -5.741 4.360 1.00 0.00 H new ATOM 0 HD2 PRO B 49 2.163 -5.263 1.698 1.00 0.00 H new ATOM 0 HD3 PRO B 49 0.585 -5.582 2.391 1.00 0.00 H new ATOM 1950 N PHE B 50 3.390 -2.068 2.812 1.00 0.00 N ATOM 1951 CA PHE B 50 4.539 -1.177 2.696 1.00 0.00 C ATOM 1952 C PHE B 50 5.437 -1.594 1.536 1.00 0.00 C ATOM 1953 O PHE B 50 5.366 -2.727 1.059 1.00 0.00 O ATOM 1954 CB PHE B 50 5.341 -1.169 3.999 1.00 0.00 C ATOM 1955 CG PHE B 50 5.993 -2.486 4.316 1.00 0.00 C ATOM 1956 CD1 PHE B 50 5.246 -3.542 4.815 1.00 0.00 C ATOM 1957 CD2 PHE B 50 7.352 -2.669 4.114 1.00 0.00 C ATOM 1958 CE1 PHE B 50 5.842 -4.754 5.106 1.00 0.00 C ATOM 1959 CE2 PHE B 50 7.953 -3.880 4.403 1.00 0.00 C ATOM 1960 CZ PHE B 50 7.197 -4.923 4.900 1.00 0.00 C ATOM 0 H PHE B 50 3.569 -3.029 2.520 1.00 0.00 H new ATOM 0 HA PHE B 50 4.167 -0.171 2.501 1.00 0.00 H new ATOM 0 HB2 PHE B 50 6.110 -0.399 3.937 1.00 0.00 H new ATOM 0 HB3 PHE B 50 4.680 -0.894 4.821 1.00 0.00 H new ATOM 0 HD1 PHE B 50 4.186 -3.416 4.978 1.00 0.00 H new ATOM 0 HD2 PHE B 50 7.948 -1.856 3.726 1.00 0.00 H new ATOM 0 HE1 PHE B 50 5.249 -5.569 5.494 1.00 0.00 H new ATOM 0 HE2 PHE B 50 9.013 -4.010 4.240 1.00 0.00 H new ATOM 0 HZ PHE B 50 7.665 -5.870 5.127 1.00 0.00 H new ATOM 1970 N ALA B 51 6.281 -0.670 1.086 1.00 0.00 N ATOM 1971 CA ALA B 51 7.196 -0.942 -0.015 1.00 0.00 C ATOM 1972 C ALA B 51 8.334 -1.851 0.433 1.00 0.00 C ATOM 1973 O ALA B 51 8.887 -1.680 1.520 1.00 0.00 O ATOM 1974 CB ALA B 51 7.748 0.360 -0.576 1.00 0.00 C ATOM 0 H ALA B 51 6.349 0.273 1.468 1.00 0.00 H new ATOM 0 HA ALA B 51 6.641 -1.456 -0.800 1.00 0.00 H new ATOM 0 HB1 ALA B 51 8.430 0.142 -1.398 1.00 0.00 H new ATOM 0 HB2 ALA B 51 6.926 0.977 -0.940 1.00 0.00 H new ATOM 0 HB3 ALA B 51 8.284 0.896 0.208 1.00 0.00 H new ATOM 1980 N GLY B 52 8.679 -2.819 -0.409 1.00 0.00 N ATOM 1981 CA GLY B 52 9.751 -3.739 -0.080 1.00 0.00 C ATOM 1982 C GLY B 52 10.240 -4.516 -1.286 1.00 0.00 C ATOM 1983 O GLY B 52 10.004 -4.117 -2.427 1.00 0.00 O ATOM 0 H GLY B 52 8.236 -2.983 -1.313 1.00 0.00 H new ATOM 0 HA2 GLY B 52 10.583 -3.183 0.352 1.00 0.00 H new ATOM 0 HA3 GLY B 52 9.405 -4.437 0.682 1.00 0.00 H new ATOM 1987 N VAL B 53 10.924 -5.628 -1.034 1.00 0.00 N ATOM 1988 CA VAL B 53 11.451 -6.463 -2.107 1.00 0.00 C ATOM 1989 C VAL B 53 11.163 -7.938 -1.845 1.00 0.00 C ATOM 1990 O VAL B 53 11.369 -8.432 -0.736 1.00 0.00 O ATOM 1991 CB VAL B 53 12.973 -6.271 -2.272 1.00 0.00 C ATOM 1992 CG1 VAL B 53 13.502 -7.112 -3.424 1.00 0.00 C ATOM 1993 CG2 VAL B 53 13.305 -4.802 -2.481 1.00 0.00 C ATOM 0 H VAL B 53 11.126 -5.971 -0.095 1.00 0.00 H new ATOM 0 HA VAL B 53 10.951 -6.154 -3.025 1.00 0.00 H new ATOM 0 HB VAL B 53 13.461 -6.607 -1.357 1.00 0.00 H new ATOM 0 HG11 VAL B 53 14.577 -6.960 -3.521 1.00 0.00 H new ATOM 0 HG12 VAL B 53 13.300 -8.165 -3.228 1.00 0.00 H new ATOM 0 HG13 VAL B 53 13.008 -6.814 -4.349 1.00 0.00 H new ATOM 0 HG21 VAL B 53 14.383 -4.685 -2.595 1.00 0.00 H new ATOM 0 HG22 VAL B 53 12.803 -4.440 -3.378 1.00 0.00 H new ATOM 0 HG23 VAL B 53 12.967 -4.226 -1.619 1.00 0.00 H new ATOM 2003 N VAL B 54 10.684 -8.635 -2.871 1.00 0.00 N ATOM 2004 CA VAL B 54 10.371 -10.055 -2.752 1.00 0.00 C ATOM 2005 C VAL B 54 11.647 -10.886 -2.666 1.00 0.00 C ATOM 2006 O VAL B 54 12.301 -11.144 -3.678 1.00 0.00 O ATOM 2007 CB VAL B 54 9.523 -10.545 -3.943 1.00 0.00 C ATOM 2008 CG1 VAL B 54 9.242 -12.036 -3.826 1.00 0.00 C ATOM 2009 CG2 VAL B 54 8.223 -9.761 -4.032 1.00 0.00 C ATOM 0 H VAL B 54 10.504 -8.240 -3.794 1.00 0.00 H new ATOM 0 HA VAL B 54 9.795 -10.182 -1.835 1.00 0.00 H new ATOM 0 HB VAL B 54 10.090 -10.375 -4.858 1.00 0.00 H new ATOM 0 HG11 VAL B 54 8.642 -12.361 -4.676 1.00 0.00 H new ATOM 0 HG12 VAL B 54 10.184 -12.584 -3.816 1.00 0.00 H new ATOM 0 HG13 VAL B 54 8.698 -12.232 -2.902 1.00 0.00 H new ATOM 0 HG21 VAL B 54 7.638 -10.121 -4.878 1.00 0.00 H new ATOM 0 HG22 VAL B 54 7.653 -9.897 -3.113 1.00 0.00 H new ATOM 0 HG23 VAL B 54 8.445 -8.703 -4.168 1.00 0.00 H new ATOM 2019 N LYS B 55 11.999 -11.300 -1.453 1.00 0.00 N ATOM 2020 CA LYS B 55 13.202 -12.097 -1.236 1.00 0.00 C ATOM 2021 C LYS B 55 12.888 -13.590 -1.237 1.00 0.00 C ATOM 2022 O LYS B 55 13.659 -14.393 -1.763 1.00 0.00 O ATOM 2023 CB LYS B 55 13.867 -11.704 0.085 1.00 0.00 C ATOM 2024 CG LYS B 55 12.963 -11.866 1.296 1.00 0.00 C ATOM 2025 CD LYS B 55 13.655 -11.411 2.571 1.00 0.00 C ATOM 2026 CE LYS B 55 12.752 -11.569 3.784 1.00 0.00 C ATOM 2027 NZ LYS B 55 12.357 -12.988 4.003 1.00 0.00 N ATOM 0 H LYS B 55 11.469 -11.097 -0.606 1.00 0.00 H new ATOM 0 HA LYS B 55 13.888 -11.895 -2.058 1.00 0.00 H new ATOM 0 HB2 LYS B 55 14.761 -12.311 0.226 1.00 0.00 H new ATOM 0 HB3 LYS B 55 14.193 -10.666 0.023 1.00 0.00 H new ATOM 0 HG2 LYS B 55 12.050 -11.289 1.150 1.00 0.00 H new ATOM 0 HG3 LYS B 55 12.667 -12.911 1.394 1.00 0.00 H new ATOM 0 HD2 LYS B 55 14.567 -11.990 2.717 1.00 0.00 H new ATOM 0 HD3 LYS B 55 13.953 -10.367 2.472 1.00 0.00 H new ATOM 0 HE2 LYS B 55 13.265 -11.195 4.670 1.00 0.00 H new ATOM 0 HE3 LYS B 55 11.858 -10.960 3.652 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 11.933 -13.088 4.947 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 11.665 -13.271 3.280 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 13.197 -13.597 3.935 1.00 0.00 H new ATOM 2041 N GLU B 56 11.755 -13.959 -0.646 1.00 0.00 N ATOM 2042 CA GLU B 56 11.355 -15.360 -0.580 1.00 0.00 C ATOM 2043 C GLU B 56 9.836 -15.501 -0.526 1.00 0.00 C ATOM 2044 O GLU B 56 9.176 -14.903 0.324 1.00 0.00 O ATOM 2045 CB GLU B 56 11.984 -16.031 0.643 1.00 0.00 C ATOM 2046 CG GLU B 56 11.629 -17.502 0.785 1.00 0.00 C ATOM 2047 CD GLU B 56 12.268 -18.142 2.001 1.00 0.00 C ATOM 2048 OE1 GLU B 56 11.689 -18.034 3.102 1.00 0.00 O ATOM 2049 OE2 GLU B 56 13.348 -18.752 1.853 1.00 0.00 O ATOM 0 H GLU B 56 11.101 -13.310 -0.208 1.00 0.00 H new ATOM 0 HA GLU B 56 11.710 -15.853 -1.485 1.00 0.00 H new ATOM 0 HB2 GLU B 56 13.068 -15.932 0.583 1.00 0.00 H new ATOM 0 HB3 GLU B 56 11.665 -15.501 1.541 1.00 0.00 H new ATOM 0 HG2 GLU B 56 10.546 -17.606 0.852 1.00 0.00 H new ATOM 0 HG3 GLU B 56 11.946 -18.036 -0.111 1.00 0.00 H new ATOM 2056 N LEU B 57 9.293 -16.299 -1.440 1.00 0.00 N ATOM 2057 CA LEU B 57 7.854 -16.532 -1.500 1.00 0.00 C ATOM 2058 C LEU B 57 7.444 -17.609 -0.499 1.00 0.00 C ATOM 2059 O LEU B 57 8.235 -18.495 -0.171 1.00 0.00 O ATOM 2060 CB LEU B 57 7.447 -16.948 -2.917 1.00 0.00 C ATOM 2061 CG LEU B 57 5.948 -17.169 -3.133 1.00 0.00 C ATOM 2062 CD1 LEU B 57 5.179 -15.873 -2.922 1.00 0.00 C ATOM 2063 CD2 LEU B 57 5.691 -17.723 -4.525 1.00 0.00 C ATOM 0 H LEU B 57 9.829 -16.796 -2.151 1.00 0.00 H new ATOM 0 HA LEU B 57 7.342 -15.605 -1.241 1.00 0.00 H new ATOM 0 HB2 LEU B 57 7.788 -16.182 -3.614 1.00 0.00 H new ATOM 0 HB3 LEU B 57 7.973 -17.868 -3.172 1.00 0.00 H new ATOM 0 HG LEU B 57 5.597 -17.896 -2.401 1.00 0.00 H new ATOM 0 HD11 LEU B 57 4.115 -16.051 -3.080 1.00 0.00 H new ATOM 0 HD12 LEU B 57 5.340 -15.516 -1.905 1.00 0.00 H new ATOM 0 HD13 LEU B 57 5.530 -15.122 -3.630 1.00 0.00 H new ATOM 0 HD21 LEU B 57 4.621 -17.875 -4.664 1.00 0.00 H new ATOM 0 HD22 LEU B 57 6.057 -17.017 -5.271 1.00 0.00 H new ATOM 0 HD23 LEU B 57 6.211 -18.674 -4.640 1.00 0.00 H new ATOM 2075 N LYS B 58 6.208 -17.528 -0.014 1.00 0.00 N ATOM 2076 CA LYS B 58 5.704 -18.496 0.955 1.00 0.00 C ATOM 2077 C LYS B 58 4.554 -19.317 0.377 1.00 0.00 C ATOM 2078 O LYS B 58 4.432 -20.509 0.657 1.00 0.00 O ATOM 2079 CB LYS B 58 5.246 -17.780 2.227 1.00 0.00 C ATOM 2080 CG LYS B 58 4.740 -18.722 3.305 1.00 0.00 C ATOM 2081 CD LYS B 58 4.345 -17.968 4.564 1.00 0.00 C ATOM 2082 CE LYS B 58 3.802 -18.908 5.629 1.00 0.00 C ATOM 2083 NZ LYS B 58 4.794 -19.953 6.008 1.00 0.00 N ATOM 0 H LYS B 58 5.539 -16.804 -0.275 1.00 0.00 H new ATOM 0 HA LYS B 58 6.518 -19.179 1.198 1.00 0.00 H new ATOM 0 HB2 LYS B 58 6.077 -17.198 2.626 1.00 0.00 H new ATOM 0 HB3 LYS B 58 4.455 -17.074 1.972 1.00 0.00 H new ATOM 0 HG2 LYS B 58 3.882 -19.279 2.929 1.00 0.00 H new ATOM 0 HG3 LYS B 58 5.514 -19.452 3.544 1.00 0.00 H new ATOM 0 HD2 LYS B 58 5.210 -17.433 4.956 1.00 0.00 H new ATOM 0 HD3 LYS B 58 3.592 -17.219 4.320 1.00 0.00 H new ATOM 0 HE2 LYS B 58 3.525 -18.333 6.513 1.00 0.00 H new ATOM 0 HE3 LYS B 58 2.894 -19.386 5.262 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 4.480 -20.431 6.877 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 4.875 -20.650 5.240 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 5.720 -19.509 6.172 1.00 0.00 H new ATOM 2097 N VAL B 59 3.714 -18.675 -0.431 1.00 0.00 N ATOM 2098 CA VAL B 59 2.576 -19.355 -1.040 1.00 0.00 C ATOM 2099 C VAL B 59 2.673 -19.341 -2.562 1.00 0.00 C ATOM 2100 O VAL B 59 3.055 -18.336 -3.161 1.00 0.00 O ATOM 2101 CB VAL B 59 1.241 -18.715 -0.611 1.00 0.00 C ATOM 2102 CG1 VAL B 59 1.036 -18.862 0.888 1.00 0.00 C ATOM 2103 CG2 VAL B 59 1.188 -17.250 -1.021 1.00 0.00 C ATOM 0 H VAL B 59 3.800 -17.689 -0.678 1.00 0.00 H new ATOM 0 HA VAL B 59 2.602 -20.387 -0.690 1.00 0.00 H new ATOM 0 HB VAL B 59 0.432 -19.238 -1.120 1.00 0.00 H new ATOM 0 HG11 VAL B 59 0.088 -18.404 1.172 1.00 0.00 H new ATOM 0 HG12 VAL B 59 1.022 -19.920 1.151 1.00 0.00 H new ATOM 0 HG13 VAL B 59 1.851 -18.368 1.417 1.00 0.00 H new ATOM 0 HG21 VAL B 59 0.237 -16.819 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL B 59 2.006 -16.709 -0.545 1.00 0.00 H new ATOM 0 HG23 VAL B 59 1.283 -17.172 -2.104 1.00 0.00 H new ATOM 2113 N ASN B 60 2.318 -20.463 -3.181 1.00 0.00 N ATOM 2114 CA ASN B 60 2.365 -20.589 -4.633 1.00 0.00 C ATOM 2115 C ASN B 60 0.978 -20.416 -5.242 1.00 0.00 C ATOM 2116 O ASN B 60 -0.032 -20.711 -4.601 1.00 0.00 O ATOM 2117 CB ASN B 60 2.942 -21.949 -5.034 1.00 0.00 C ATOM 2118 CG ASN B 60 4.437 -22.050 -4.790 1.00 0.00 C ATOM 2119 OD1 ASN B 60 5.152 -22.726 -5.531 1.00 0.00 O ATOM 2120 ND2 ASN B 60 4.920 -21.385 -3.746 1.00 0.00 N ATOM 0 H ASN B 60 1.994 -21.300 -2.697 1.00 0.00 H new ATOM 0 HA ASN B 60 3.012 -19.800 -5.016 1.00 0.00 H new ATOM 0 HB2 ASN B 60 2.433 -22.734 -4.474 1.00 0.00 H new ATOM 0 HB3 ASN B 60 2.738 -22.128 -6.090 1.00 0.00 H new ATOM 0 HD21 ASN B 60 5.917 -21.423 -3.534 1.00 0.00 H new ATOM 0 HD22 ASN B 60 4.294 -20.836 -3.157 1.00 0.00 H new ATOM 2127 N VAL B 61 0.937 -19.931 -6.481 1.00 0.00 N ATOM 2128 CA VAL B 61 -0.324 -19.721 -7.184 1.00 0.00 C ATOM 2129 C VAL B 61 -1.172 -20.989 -7.177 1.00 0.00 C ATOM 2130 O VAL B 61 -0.664 -22.087 -7.404 1.00 0.00 O ATOM 2131 CB VAL B 61 -0.085 -19.281 -8.642 1.00 0.00 C ATOM 2132 CG1 VAL B 61 -1.406 -19.030 -9.352 1.00 0.00 C ATOM 2133 CG2 VAL B 61 0.793 -18.041 -8.686 1.00 0.00 C ATOM 0 H VAL B 61 1.765 -19.676 -7.019 1.00 0.00 H new ATOM 0 HA VAL B 61 -0.856 -18.929 -6.657 1.00 0.00 H new ATOM 0 HB VAL B 61 0.432 -20.087 -9.163 1.00 0.00 H new ATOM 0 HG11 VAL B 61 -1.214 -18.721 -10.379 1.00 0.00 H new ATOM 0 HG12 VAL B 61 -1.998 -19.945 -9.353 1.00 0.00 H new ATOM 0 HG13 VAL B 61 -1.954 -18.244 -8.833 1.00 0.00 H new ATOM 0 HG21 VAL B 61 0.952 -17.744 -9.723 1.00 0.00 H new ATOM 0 HG22 VAL B 61 0.304 -17.230 -8.147 1.00 0.00 H new ATOM 0 HG23 VAL B 61 1.754 -18.259 -8.220 1.00 0.00 H new ATOM 2143 N GLY B 62 -2.466 -20.829 -6.917 1.00 0.00 N ATOM 2144 CA GLY B 62 -3.362 -21.970 -6.881 1.00 0.00 C ATOM 2145 C GLY B 62 -3.635 -22.440 -5.465 1.00 0.00 C ATOM 2146 O GLY B 62 -4.559 -23.219 -5.228 1.00 0.00 O ATOM 0 H GLY B 62 -2.910 -19.930 -6.731 1.00 0.00 H new ATOM 0 HA2 GLY B 62 -4.304 -21.706 -7.362 1.00 0.00 H new ATOM 0 HA3 GLY B 62 -2.929 -22.788 -7.456 1.00 0.00 H new ATOM 2150 N ASP B 63 -2.827 -21.963 -4.523 1.00 0.00 N ATOM 2151 CA ASP B 63 -2.979 -22.331 -3.120 1.00 0.00 C ATOM 2152 C ASP B 63 -3.835 -21.307 -2.385 1.00 0.00 C ATOM 2153 O ASP B 63 -3.412 -20.171 -2.170 1.00 0.00 O ATOM 2154 CB ASP B 63 -1.607 -22.442 -2.451 1.00 0.00 C ATOM 2155 CG ASP B 63 -1.706 -22.784 -0.977 1.00 0.00 C ATOM 2156 OD1 ASP B 63 -1.843 -21.851 -0.158 1.00 0.00 O ATOM 2157 OD2 ASP B 63 -1.643 -23.985 -0.641 1.00 0.00 O ATOM 0 H ASP B 63 -2.058 -21.319 -4.707 1.00 0.00 H new ATOM 0 HA ASP B 63 -3.478 -23.299 -3.072 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -1.019 -23.206 -2.959 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -1.072 -21.499 -2.567 1.00 0.00 H new ATOM 2162 N LYS B 64 -5.041 -21.716 -2.002 1.00 0.00 N ATOM 2163 CA LYS B 64 -5.959 -20.832 -1.293 1.00 0.00 C ATOM 2164 C LYS B 64 -5.316 -20.263 -0.031 1.00 0.00 C ATOM 2165 O LYS B 64 -4.429 -20.880 0.559 1.00 0.00 O ATOM 2166 CB LYS B 64 -7.245 -21.579 -0.935 1.00 0.00 C ATOM 2167 CG LYS B 64 -7.025 -22.778 -0.026 1.00 0.00 C ATOM 2168 CD LYS B 64 -8.340 -23.444 0.350 1.00 0.00 C ATOM 2169 CE LYS B 64 -9.002 -24.099 -0.853 1.00 0.00 C ATOM 2170 NZ LYS B 64 -10.324 -24.690 -0.505 1.00 0.00 N ATOM 0 H LYS B 64 -5.405 -22.654 -2.171 1.00 0.00 H new ATOM 0 HA LYS B 64 -6.201 -20.001 -1.955 1.00 0.00 H new ATOM 0 HB2 LYS B 64 -7.933 -20.887 -0.448 1.00 0.00 H new ATOM 0 HB3 LYS B 64 -7.727 -21.914 -1.853 1.00 0.00 H new ATOM 0 HG2 LYS B 64 -6.380 -23.501 -0.526 1.00 0.00 H new ATOM 0 HG3 LYS B 64 -6.506 -22.460 0.878 1.00 0.00 H new ATOM 0 HD2 LYS B 64 -8.161 -24.194 1.120 1.00 0.00 H new ATOM 0 HD3 LYS B 64 -9.015 -22.702 0.778 1.00 0.00 H new ATOM 0 HE2 LYS B 64 -9.131 -23.360 -1.644 1.00 0.00 H new ATOM 0 HE3 LYS B 64 -8.349 -24.877 -1.248 1.00 0.00 H new ATOM 0 HZ1 LYS B 64 -10.743 -25.126 -1.351 1.00 0.00 H new ATOM 0 HZ2 LYS B 64 -10.198 -25.413 0.231 1.00 0.00 H new ATOM 0 HZ3 LYS B 64 -10.956 -23.943 -0.152 1.00 0.00 H new ATOM 2184 N VAL B 65 -5.775 -19.084 0.375 1.00 0.00 N ATOM 2185 CA VAL B 65 -5.252 -18.420 1.562 1.00 0.00 C ATOM 2186 C VAL B 65 -6.273 -18.456 2.698 1.00 0.00 C ATOM 2187 O VAL B 65 -7.445 -18.760 2.478 1.00 0.00 O ATOM 2188 CB VAL B 65 -4.886 -16.951 1.257 1.00 0.00 C ATOM 2189 CG1 VAL B 65 -6.135 -16.082 1.207 1.00 0.00 C ATOM 2190 CG2 VAL B 65 -3.896 -16.413 2.278 1.00 0.00 C ATOM 0 H VAL B 65 -6.512 -18.567 -0.104 1.00 0.00 H new ATOM 0 HA VAL B 65 -4.354 -18.957 1.867 1.00 0.00 H new ATOM 0 HB VAL B 65 -4.410 -16.920 0.277 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -5.853 -15.052 0.991 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -6.801 -16.447 0.426 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -6.646 -16.124 2.169 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -3.655 -15.377 2.040 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -4.337 -16.464 3.274 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -2.986 -17.012 2.253 1.00 0.00 H new ATOM 2200 N LYS B 66 -5.822 -18.145 3.910 1.00 0.00 N ATOM 2201 CA LYS B 66 -6.703 -18.137 5.073 1.00 0.00 C ATOM 2202 C LYS B 66 -6.343 -16.999 6.022 1.00 0.00 C ATOM 2203 O LYS B 66 -5.179 -16.615 6.134 1.00 0.00 O ATOM 2204 CB LYS B 66 -6.628 -19.476 5.809 1.00 0.00 C ATOM 2205 CG LYS B 66 -7.088 -20.656 4.969 1.00 0.00 C ATOM 2206 CD LYS B 66 -7.013 -21.959 5.749 1.00 0.00 C ATOM 2207 CE LYS B 66 -7.463 -23.141 4.906 1.00 0.00 C ATOM 2208 NZ LYS B 66 -8.867 -22.986 4.436 1.00 0.00 N ATOM 0 H LYS B 66 -4.854 -17.896 4.112 1.00 0.00 H new ATOM 0 HA LYS B 66 -7.723 -17.983 4.721 1.00 0.00 H new ATOM 0 HB2 LYS B 66 -5.601 -19.648 6.131 1.00 0.00 H new ATOM 0 HB3 LYS B 66 -7.239 -19.421 6.710 1.00 0.00 H new ATOM 0 HG2 LYS B 66 -8.112 -20.489 4.635 1.00 0.00 H new ATOM 0 HG3 LYS B 66 -6.469 -20.730 4.075 1.00 0.00 H new ATOM 0 HD2 LYS B 66 -5.990 -22.122 6.089 1.00 0.00 H new ATOM 0 HD3 LYS B 66 -7.638 -21.887 6.639 1.00 0.00 H new ATOM 0 HE2 LYS B 66 -6.802 -23.246 4.046 1.00 0.00 H new ATOM 0 HE3 LYS B 66 -7.375 -24.057 5.489 1.00 0.00 H new ATOM 0 HZ1 LYS B 66 -9.209 -23.893 4.058 1.00 0.00 H new ATOM 0 HZ2 LYS B 66 -9.469 -22.693 5.232 1.00 0.00 H new ATOM 0 HZ3 LYS B 66 -8.905 -22.264 3.689 1.00 0.00 H new ATOM 2222 N THR B 67 -7.351 -16.463 6.703 1.00 0.00 N ATOM 2223 CA THR B 67 -7.142 -15.367 7.641 1.00 0.00 C ATOM 2224 C THR B 67 -6.327 -15.822 8.846 1.00 0.00 C ATOM 2225 O THR B 67 -6.707 -16.761 9.546 1.00 0.00 O ATOM 2226 CB THR B 67 -8.480 -14.782 8.132 1.00 0.00 C ATOM 2227 OG1 THR B 67 -9.318 -14.468 7.014 1.00 0.00 O ATOM 2228 CG2 THR B 67 -8.249 -13.529 8.963 1.00 0.00 C ATOM 0 H THR B 67 -8.320 -16.770 6.622 1.00 0.00 H new ATOM 0 HA THR B 67 -6.592 -14.594 7.104 1.00 0.00 H new ATOM 0 HB THR B 67 -8.970 -15.530 8.755 1.00 0.00 H new ATOM 0 HG1 THR B 67 -10.167 -14.098 7.335 1.00 0.00 H new ATOM 0 HG21 THR B 67 -9.208 -13.133 9.299 1.00 0.00 H new ATOM 0 HG22 THR B 67 -7.634 -13.775 9.829 1.00 0.00 H new ATOM 0 HG23 THR B 67 -7.739 -12.780 8.357 1.00 0.00 H new ATOM 2236 N GLY B 68 -5.205 -15.150 9.079 1.00 0.00 N ATOM 2237 CA GLY B 68 -4.352 -15.495 10.200 1.00 0.00 C ATOM 2238 C GLY B 68 -3.007 -16.038 9.759 1.00 0.00 C ATOM 2239 O GLY B 68 -2.055 -16.064 10.540 1.00 0.00 O ATOM 0 H GLY B 68 -4.871 -14.372 8.511 1.00 0.00 H new ATOM 0 HA2 GLY B 68 -4.198 -14.612 10.821 1.00 0.00 H new ATOM 0 HA3 GLY B 68 -4.855 -16.237 10.820 1.00 0.00 H new ATOM 2243 N SER B 69 -2.928 -16.471 8.504 1.00 0.00 N ATOM 2244 CA SER B 69 -1.691 -17.018 7.961 1.00 0.00 C ATOM 2245 C SER B 69 -0.883 -15.939 7.249 1.00 0.00 C ATOM 2246 O SER B 69 -1.334 -14.802 7.106 1.00 0.00 O ATOM 2247 CB SER B 69 -1.997 -18.163 6.994 1.00 0.00 C ATOM 2248 OG SER B 69 -2.742 -17.704 5.879 1.00 0.00 O ATOM 0 H SER B 69 -3.706 -16.453 7.845 1.00 0.00 H new ATOM 0 HA SER B 69 -1.098 -17.400 8.792 1.00 0.00 H new ATOM 0 HB2 SER B 69 -1.065 -18.613 6.652 1.00 0.00 H new ATOM 0 HB3 SER B 69 -2.556 -18.942 7.513 1.00 0.00 H new ATOM 0 HG SER B 69 -3.669 -17.539 6.151 1.00 0.00 H new ATOM 2254 N LEU B 70 0.316 -16.304 6.805 1.00 0.00 N ATOM 2255 CA LEU B 70 1.193 -15.372 6.106 1.00 0.00 C ATOM 2256 C LEU B 70 1.127 -15.602 4.599 1.00 0.00 C ATOM 2257 O LEU B 70 0.570 -16.600 4.139 1.00 0.00 O ATOM 2258 CB LEU B 70 2.636 -15.524 6.596 1.00 0.00 C ATOM 2259 CG LEU B 70 2.857 -15.246 8.086 1.00 0.00 C ATOM 2260 CD1 LEU B 70 2.383 -16.418 8.933 1.00 0.00 C ATOM 2261 CD2 LEU B 70 4.324 -14.952 8.358 1.00 0.00 C ATOM 0 H LEU B 70 0.703 -17.241 6.918 1.00 0.00 H new ATOM 0 HA LEU B 70 0.854 -14.359 6.321 1.00 0.00 H new ATOM 0 HB2 LEU B 70 2.970 -16.539 6.380 1.00 0.00 H new ATOM 0 HB3 LEU B 70 3.270 -14.850 6.020 1.00 0.00 H new ATOM 0 HG LEU B 70 2.269 -14.370 8.360 1.00 0.00 H new ATOM 0 HD11 LEU B 70 2.551 -16.196 9.987 1.00 0.00 H new ATOM 0 HD12 LEU B 70 1.319 -16.584 8.762 1.00 0.00 H new ATOM 0 HD13 LEU B 70 2.939 -17.314 8.658 1.00 0.00 H new ATOM 0 HD21 LEU B 70 4.465 -14.756 9.421 1.00 0.00 H new ATOM 0 HD22 LEU B 70 4.928 -15.810 8.064 1.00 0.00 H new ATOM 0 HD23 LEU B 70 4.632 -14.078 7.784 1.00 0.00 H new ATOM 2273 N ILE B 71 1.698 -14.676 3.833 1.00 0.00 N ATOM 2274 CA ILE B 71 1.698 -14.786 2.379 1.00 0.00 C ATOM 2275 C ILE B 71 3.080 -14.506 1.793 1.00 0.00 C ATOM 2276 O ILE B 71 3.591 -15.289 0.992 1.00 0.00 O ATOM 2277 CB ILE B 71 0.671 -13.827 1.742 1.00 0.00 C ATOM 2278 CG1 ILE B 71 0.801 -12.425 2.345 1.00 0.00 C ATOM 2279 CG2 ILE B 71 -0.739 -14.368 1.932 1.00 0.00 C ATOM 2280 CD1 ILE B 71 -0.089 -11.393 1.684 1.00 0.00 C ATOM 0 H ILE B 71 2.165 -13.844 4.194 1.00 0.00 H new ATOM 0 HA ILE B 71 1.419 -15.813 2.145 1.00 0.00 H new ATOM 0 HB ILE B 71 0.873 -13.756 0.673 1.00 0.00 H new ATOM 0 HG12 ILE B 71 0.561 -12.472 3.407 1.00 0.00 H new ATOM 0 HG13 ILE B 71 1.839 -12.100 2.267 1.00 0.00 H new ATOM 0 HG21 ILE B 71 -1.456 -13.683 1.479 1.00 0.00 H new ATOM 0 HG22 ILE B 71 -0.821 -15.346 1.457 1.00 0.00 H new ATOM 0 HG23 ILE B 71 -0.952 -14.463 2.997 1.00 0.00 H new ATOM 0 HD11 ILE B 71 0.057 -10.425 2.164 1.00 0.00 H new ATOM 0 HD12 ILE B 71 0.166 -11.316 0.627 1.00 0.00 H new ATOM 0 HD13 ILE B 71 -1.132 -11.694 1.785 1.00 0.00 H new ATOM 2292 N MET B 72 3.681 -13.388 2.194 1.00 0.00 N ATOM 2293 CA MET B 72 5.002 -13.010 1.702 1.00 0.00 C ATOM 2294 C MET B 72 5.782 -12.235 2.759 1.00 0.00 C ATOM 2295 O MET B 72 5.227 -11.817 3.775 1.00 0.00 O ATOM 2296 CB MET B 72 4.878 -12.163 0.432 1.00 0.00 C ATOM 2297 CG MET B 72 4.369 -12.934 -0.775 1.00 0.00 C ATOM 2298 SD MET B 72 4.331 -11.932 -2.274 1.00 0.00 S ATOM 2299 CE MET B 72 3.148 -10.669 -1.810 1.00 0.00 C ATOM 0 H MET B 72 3.274 -12.729 2.858 1.00 0.00 H new ATOM 0 HA MET B 72 5.545 -13.927 1.472 1.00 0.00 H new ATOM 0 HB2 MET B 72 4.205 -11.328 0.628 1.00 0.00 H new ATOM 0 HB3 MET B 72 5.853 -11.737 0.194 1.00 0.00 H new ATOM 0 HG2 MET B 72 5.005 -13.804 -0.940 1.00 0.00 H new ATOM 0 HG3 MET B 72 3.366 -13.307 -0.567 1.00 0.00 H new ATOM 0 HE1 MET B 72 2.776 -10.172 -2.706 1.00 0.00 H new ATOM 0 HE2 MET B 72 2.315 -11.128 -1.277 1.00 0.00 H new ATOM 0 HE3 MET B 72 3.632 -9.937 -1.164 1.00 0.00 H new ATOM 2309 N ILE B 73 7.076 -12.052 2.510 1.00 0.00 N ATOM 2310 CA ILE B 73 7.941 -11.318 3.426 1.00 0.00 C ATOM 2311 C ILE B 73 8.812 -10.333 2.657 1.00 0.00 C ATOM 2312 O ILE B 73 9.384 -10.676 1.622 1.00 0.00 O ATOM 2313 CB ILE B 73 8.850 -12.264 4.236 1.00 0.00 C ATOM 2314 CG1 ILE B 73 8.033 -13.416 4.826 1.00 0.00 C ATOM 2315 CG2 ILE B 73 9.564 -11.493 5.339 1.00 0.00 C ATOM 2316 CD1 ILE B 73 8.877 -14.474 5.505 1.00 0.00 C ATOM 0 H ILE B 73 7.549 -12.404 1.678 1.00 0.00 H new ATOM 0 HA ILE B 73 7.293 -10.782 4.119 1.00 0.00 H new ATOM 0 HB ILE B 73 9.600 -12.685 3.566 1.00 0.00 H new ATOM 0 HG12 ILE B 73 7.321 -13.013 5.547 1.00 0.00 H new ATOM 0 HG13 ILE B 73 7.452 -13.882 4.031 1.00 0.00 H new ATOM 0 HG21 ILE B 73 10.202 -12.173 5.903 1.00 0.00 H new ATOM 0 HG22 ILE B 73 10.174 -10.706 4.896 1.00 0.00 H new ATOM 0 HG23 ILE B 73 8.827 -11.048 6.008 1.00 0.00 H new ATOM 0 HD11 ILE B 73 8.230 -15.258 5.899 1.00 0.00 H new ATOM 0 HD12 ILE B 73 9.571 -14.905 4.783 1.00 0.00 H new ATOM 0 HD13 ILE B 73 9.438 -14.022 6.323 1.00 0.00 H new ATOM 2328 N PHE B 74 8.913 -9.109 3.165 1.00 0.00 N ATOM 2329 CA PHE B 74 9.712 -8.080 2.511 1.00 0.00 C ATOM 2330 C PHE B 74 10.869 -7.648 3.400 1.00 0.00 C ATOM 2331 O PHE B 74 10.828 -7.832 4.614 1.00 0.00 O ATOM 2332 CB PHE B 74 8.847 -6.864 2.171 1.00 0.00 C ATOM 2333 CG PHE B 74 7.616 -7.193 1.374 1.00 0.00 C ATOM 2334 CD1 PHE B 74 7.714 -7.585 0.048 1.00 0.00 C ATOM 2335 CD2 PHE B 74 6.359 -7.102 1.951 1.00 0.00 C ATOM 2336 CE1 PHE B 74 6.580 -7.880 -0.687 1.00 0.00 C ATOM 2337 CE2 PHE B 74 5.223 -7.397 1.222 1.00 0.00 C ATOM 2338 CZ PHE B 74 5.333 -7.785 -0.098 1.00 0.00 C ATOM 0 H PHE B 74 8.453 -8.807 4.024 1.00 0.00 H new ATOM 0 HA PHE B 74 10.113 -8.503 1.590 1.00 0.00 H new ATOM 0 HB2 PHE B 74 8.547 -6.374 3.097 1.00 0.00 H new ATOM 0 HB3 PHE B 74 9.449 -6.148 1.612 1.00 0.00 H new ATOM 0 HD1 PHE B 74 8.686 -7.661 -0.416 1.00 0.00 H new ATOM 0 HD2 PHE B 74 6.266 -6.797 2.983 1.00 0.00 H new ATOM 0 HE1 PHE B 74 6.669 -8.184 -1.720 1.00 0.00 H new ATOM 0 HE2 PHE B 74 4.250 -7.324 1.685 1.00 0.00 H new ATOM 0 HZ PHE B 74 4.446 -8.014 -0.670 1.00 0.00 H new ATOM 2348 N GLU B 75 11.900 -7.079 2.785 1.00 0.00 N ATOM 2349 CA GLU B 75 13.066 -6.605 3.521 1.00 0.00 C ATOM 2350 C GLU B 75 13.392 -5.170 3.125 1.00 0.00 C ATOM 2351 O GLU B 75 14.080 -4.928 2.134 1.00 0.00 O ATOM 2352 CB GLU B 75 14.271 -7.515 3.267 1.00 0.00 C ATOM 2353 CG GLU B 75 15.440 -7.259 4.207 1.00 0.00 C ATOM 2354 CD GLU B 75 16.244 -6.031 3.826 1.00 0.00 C ATOM 2355 OE1 GLU B 75 17.094 -6.135 2.917 1.00 0.00 O ATOM 2356 OE2 GLU B 75 16.023 -4.964 4.438 1.00 0.00 O ATOM 0 H GLU B 75 11.952 -6.935 1.777 1.00 0.00 H new ATOM 0 HA GLU B 75 12.836 -6.630 4.586 1.00 0.00 H new ATOM 0 HB2 GLU B 75 13.957 -8.554 3.366 1.00 0.00 H new ATOM 0 HB3 GLU B 75 14.607 -7.380 2.239 1.00 0.00 H new ATOM 0 HG2 GLU B 75 15.064 -7.140 5.223 1.00 0.00 H new ATOM 0 HG3 GLU B 75 16.095 -8.130 4.210 1.00 0.00 H new ATOM 2363 N VAL B 76 12.883 -4.224 3.905 1.00 0.00 N ATOM 2364 CA VAL B 76 13.106 -2.809 3.642 1.00 0.00 C ATOM 2365 C VAL B 76 14.348 -2.297 4.366 1.00 0.00 C ATOM 2366 O VAL B 76 14.416 -2.316 5.593 1.00 0.00 O ATOM 2367 CB VAL B 76 11.885 -1.966 4.065 1.00 0.00 C ATOM 2368 CG1 VAL B 76 11.394 -2.381 5.443 1.00 0.00 C ATOM 2369 CG2 VAL B 76 12.224 -0.486 4.047 1.00 0.00 C ATOM 0 H VAL B 76 12.311 -4.413 4.728 1.00 0.00 H new ATOM 0 HA VAL B 76 13.257 -2.705 2.568 1.00 0.00 H new ATOM 0 HB VAL B 76 11.085 -2.146 3.347 1.00 0.00 H new ATOM 0 HG11 VAL B 76 10.533 -1.773 5.721 1.00 0.00 H new ATOM 0 HG12 VAL B 76 11.106 -3.432 5.425 1.00 0.00 H new ATOM 0 HG13 VAL B 76 12.191 -2.235 6.172 1.00 0.00 H new ATOM 0 HG21 VAL B 76 11.350 0.091 4.348 1.00 0.00 H new ATOM 0 HG22 VAL B 76 13.043 -0.292 4.739 1.00 0.00 H new ATOM 0 HG23 VAL B 76 12.523 -0.193 3.040 1.00 0.00 H new