USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=18 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 Set 1.1: B 64 LYS NZ :NH3+ -171:sc=-0.00323 (180deg=0) USER MOD Set 1.2: B 66 LYS NZ :NH3+ -166:sc= -0.0386 (180deg=-0.259) USER MOD Set 2.1: A 64 LYS NZ :NH3+ -174:sc= 0 (180deg=0) USER MOD Set 2.2: A 66 LYS NZ :NH3+ -165:sc= -0.0586 (180deg=-0.386) USER MOD Single : A 43 SER OG : rot 47:sc= 0.744 USER MOD Single : A 44 MET CE :methyl 163:sc= -0.109 (180deg=-0.547) USER MOD Single : A 55 LYS NZ :NH3+ -166:sc= -0.0577 (180deg=-0.305) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.15 F(o=-3.5!,f=-0.15) USER MOD Single : A 67 THR OG1 : rot 21:sc= 0.209 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -162:sc= -0.086 (180deg=-0.592) USER MOD Single : B 43 SER OG : rot 47:sc= 1.23 USER MOD Single : B 44 MET CE :methyl 163:sc= -0.0625 (180deg=-0.455) USER MOD Single : B 55 LYS NZ :NH3+ -166:sc= -0.0577 (180deg=-0.286) USER MOD Single : B 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 ASN :FLIP amide:sc= -0.18 F(o=-3.4!,f=-0.18) USER MOD Single : B 67 THR OG1 : rot 23:sc= 0.176 USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 72 MET CE :methyl -159:sc= -0.0902 (180deg=-0.619) USER MOD ----------------------------------------------------------------- ATOM 581 N SER A 43 13.168 -6.479 7.830 1.00 0.00 N ATOM 582 CA SER A 43 12.172 -7.274 7.120 1.00 0.00 C ATOM 583 C SER A 43 10.939 -7.496 7.993 1.00 0.00 C ATOM 584 O SER A 43 11.049 -7.621 9.212 1.00 0.00 O ATOM 585 CB SER A 43 12.769 -8.619 6.702 1.00 0.00 C ATOM 586 OG SER A 43 11.817 -9.409 6.013 1.00 0.00 O ATOM 0 HA SER A 43 11.870 -6.728 6.226 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.637 -8.452 6.064 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.120 -9.154 7.584 1.00 0.00 H new ATOM 0 HG SER A 43 11.371 -8.864 5.331 1.00 0.00 H new ATOM 592 N MET A 44 9.765 -7.548 7.366 1.00 0.00 N ATOM 593 CA MET A 44 8.523 -7.746 8.103 1.00 0.00 C ATOM 594 C MET A 44 7.555 -8.634 7.330 1.00 0.00 C ATOM 595 O MET A 44 7.191 -8.336 6.192 1.00 0.00 O ATOM 596 CB MET A 44 7.863 -6.400 8.406 1.00 0.00 C ATOM 597 CG MET A 44 6.586 -6.517 9.224 1.00 0.00 C ATOM 598 SD MET A 44 6.845 -7.349 10.804 1.00 0.00 S ATOM 599 CE MET A 44 8.040 -6.260 11.572 1.00 0.00 C ATOM 0 H MET A 44 9.650 -7.456 6.357 1.00 0.00 H new ATOM 0 HA MET A 44 8.770 -8.245 9.040 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.572 -5.770 8.943 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.637 -5.896 7.466 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.182 -5.521 9.405 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.839 -7.064 8.648 1.00 0.00 H new ATOM 0 HE1 MET A 44 8.075 -6.456 12.644 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.024 -6.436 11.138 1.00 0.00 H new ATOM 0 HE3 MET A 44 7.749 -5.223 11.403 1.00 0.00 H new ATOM 609 N GLU A 45 7.143 -9.726 7.962 1.00 0.00 N ATOM 610 CA GLU A 45 6.211 -10.666 7.353 1.00 0.00 C ATOM 611 C GLU A 45 4.782 -10.135 7.421 1.00 0.00 C ATOM 612 O GLU A 45 4.352 -9.613 8.450 1.00 0.00 O ATOM 613 CB GLU A 45 6.302 -12.021 8.056 1.00 0.00 C ATOM 614 CG GLU A 45 6.076 -11.940 9.559 1.00 0.00 C ATOM 615 CD GLU A 45 6.165 -13.292 10.238 1.00 0.00 C ATOM 616 OE1 GLU A 45 7.286 -13.833 10.343 1.00 0.00 O ATOM 617 OE2 GLU A 45 5.112 -13.810 10.665 1.00 0.00 O ATOM 0 H GLU A 45 7.442 -9.983 8.903 1.00 0.00 H new ATOM 0 HA GLU A 45 6.481 -10.788 6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.566 -12.697 7.622 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.284 -12.455 7.867 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.814 -11.269 9.998 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.095 -11.505 9.752 1.00 0.00 H new ATOM 624 N VAL A 46 4.050 -10.268 6.318 1.00 0.00 N ATOM 625 CA VAL A 46 2.669 -9.803 6.257 1.00 0.00 C ATOM 626 C VAL A 46 1.702 -10.974 6.071 1.00 0.00 C ATOM 627 O VAL A 46 1.999 -11.918 5.338 1.00 0.00 O ATOM 628 CB VAL A 46 2.463 -8.791 5.112 1.00 0.00 C ATOM 629 CG1 VAL A 46 3.322 -7.554 5.333 1.00 0.00 C ATOM 630 CG2 VAL A 46 2.775 -9.425 3.765 1.00 0.00 C ATOM 0 H VAL A 46 4.390 -10.694 5.456 1.00 0.00 H new ATOM 0 HA VAL A 46 2.460 -9.309 7.206 1.00 0.00 H new ATOM 0 HB VAL A 46 1.416 -8.489 5.109 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.164 -6.851 4.516 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.045 -7.083 6.276 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.373 -7.842 5.366 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.622 -8.691 2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.812 -9.762 3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.115 -10.277 3.602 1.00 0.00 H new ATOM 640 N PRO A 47 0.531 -10.932 6.736 1.00 0.00 N ATOM 641 CA PRO A 47 -0.475 -11.977 6.647 1.00 0.00 C ATOM 642 C PRO A 47 -1.627 -11.604 5.721 1.00 0.00 C ATOM 643 O PRO A 47 -1.719 -10.469 5.253 1.00 0.00 O ATOM 644 CB PRO A 47 -0.962 -12.042 8.090 1.00 0.00 C ATOM 645 CG PRO A 47 -0.862 -10.630 8.594 1.00 0.00 C ATOM 646 CD PRO A 47 0.101 -9.893 7.683 1.00 0.00 C ATOM 0 HA PRO A 47 -0.087 -12.911 6.241 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.987 -12.410 8.145 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.348 -12.718 8.684 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -1.840 -10.150 8.588 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.505 -10.614 9.624 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -0.384 -9.060 7.174 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.944 -9.480 8.238 1.00 0.00 H new ATOM 654 N ALA A 48 -2.505 -12.567 5.461 1.00 0.00 N ATOM 655 CA ALA A 48 -3.655 -12.337 4.594 1.00 0.00 C ATOM 656 C ALA A 48 -4.818 -11.729 5.378 1.00 0.00 C ATOM 657 O ALA A 48 -5.061 -12.105 6.525 1.00 0.00 O ATOM 658 CB ALA A 48 -4.086 -13.635 3.928 1.00 0.00 C ATOM 0 H ALA A 48 -2.442 -13.513 5.838 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.360 -11.628 3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.945 -13.446 3.285 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.264 -14.027 3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.358 -14.363 4.692 1.00 0.00 H new ATOM 664 N PRO A 49 -5.554 -10.780 4.770 1.00 0.00 N ATOM 665 CA PRO A 49 -6.691 -10.124 5.424 1.00 0.00 C ATOM 666 C PRO A 49 -7.882 -11.059 5.618 1.00 0.00 C ATOM 667 O PRO A 49 -8.489 -11.090 6.689 1.00 0.00 O ATOM 668 CB PRO A 49 -7.052 -8.990 4.462 1.00 0.00 C ATOM 669 CG PRO A 49 -6.561 -9.447 3.132 1.00 0.00 C ATOM 670 CD PRO A 49 -5.332 -10.267 3.403 1.00 0.00 C ATOM 0 HA PRO A 49 -6.436 -9.786 6.428 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.127 -8.812 4.447 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.578 -8.054 4.758 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.319 -10.038 2.619 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.329 -8.598 2.489 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.224 -11.078 2.683 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.426 -9.664 3.343 1.00 0.00 H new ATOM 678 N PHE A 50 -8.214 -11.820 4.579 1.00 0.00 N ATOM 679 CA PHE A 50 -9.339 -12.750 4.642 1.00 0.00 C ATOM 680 C PHE A 50 -9.023 -14.043 3.895 1.00 0.00 C ATOM 681 O PHE A 50 -8.135 -14.077 3.043 1.00 0.00 O ATOM 682 CB PHE A 50 -10.596 -12.101 4.054 1.00 0.00 C ATOM 683 CG PHE A 50 -10.478 -11.781 2.590 1.00 0.00 C ATOM 684 CD1 PHE A 50 -9.705 -10.715 2.161 1.00 0.00 C ATOM 685 CD2 PHE A 50 -11.134 -12.550 1.643 1.00 0.00 C ATOM 686 CE1 PHE A 50 -9.588 -10.421 0.816 1.00 0.00 C ATOM 687 CE2 PHE A 50 -11.021 -12.262 0.297 1.00 0.00 C ATOM 688 CZ PHE A 50 -10.247 -11.196 -0.117 1.00 0.00 C ATOM 0 H PHE A 50 -7.722 -11.812 3.685 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.518 -12.994 5.689 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -11.444 -12.769 4.204 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.812 -11.184 4.602 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -9.187 -10.106 2.887 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -11.741 -13.385 1.961 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -8.982 -9.586 0.495 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -11.537 -12.870 -0.431 1.00 0.00 H new ATOM 0 HZ PHE A 50 -10.157 -10.969 -1.169 1.00 0.00 H new ATOM 698 N ALA A 51 -9.757 -15.104 4.218 1.00 0.00 N ATOM 699 CA ALA A 51 -9.557 -16.397 3.574 1.00 0.00 C ATOM 700 C ALA A 51 -10.022 -16.354 2.123 1.00 0.00 C ATOM 701 O ALA A 51 -10.913 -15.581 1.772 1.00 0.00 O ATOM 702 CB ALA A 51 -10.294 -17.488 4.336 1.00 0.00 C ATOM 0 H ALA A 51 -10.495 -15.093 4.922 1.00 0.00 H new ATOM 0 HA ALA A 51 -8.491 -16.624 3.585 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -10.135 -18.447 3.843 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.916 -17.538 5.357 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.360 -17.262 4.355 1.00 0.00 H new ATOM 708 N GLY A 52 -9.421 -17.191 1.284 1.00 0.00 N ATOM 709 CA GLY A 52 -9.791 -17.218 -0.121 1.00 0.00 C ATOM 710 C GLY A 52 -8.801 -17.983 -0.974 1.00 0.00 C ATOM 711 O GLY A 52 -7.654 -18.175 -0.581 1.00 0.00 O ATOM 0 H GLY A 52 -8.688 -17.849 1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.777 -17.670 -0.224 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.869 -16.196 -0.491 1.00 0.00 H new ATOM 715 N VAL A 53 -9.244 -18.414 -2.150 1.00 0.00 N ATOM 716 CA VAL A 53 -8.388 -19.161 -3.055 1.00 0.00 C ATOM 717 C VAL A 53 -7.781 -18.246 -4.112 1.00 0.00 C ATOM 718 O VAL A 53 -8.446 -17.351 -4.632 1.00 0.00 O ATOM 719 CB VAL A 53 -9.166 -20.296 -3.749 1.00 0.00 C ATOM 720 CG1 VAL A 53 -9.828 -21.199 -2.721 1.00 0.00 C ATOM 721 CG2 VAL A 53 -10.198 -19.736 -4.718 1.00 0.00 C ATOM 0 H VAL A 53 -10.191 -18.257 -2.496 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.588 -19.596 -2.456 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.455 -20.892 -4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.372 -21.994 -3.231 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.066 -21.637 -2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.522 -20.615 -2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.733 -20.557 -5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -10.905 -19.109 -4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.696 -19.140 -5.480 1.00 0.00 H new ATOM 731 N VAL A 54 -6.508 -18.471 -4.419 1.00 0.00 N ATOM 732 CA VAL A 54 -5.809 -17.667 -5.412 1.00 0.00 C ATOM 733 C VAL A 54 -6.268 -18.022 -6.820 1.00 0.00 C ATOM 734 O VAL A 54 -6.359 -19.197 -7.176 1.00 0.00 O ATOM 735 CB VAL A 54 -4.284 -17.852 -5.313 1.00 0.00 C ATOM 736 CG1 VAL A 54 -3.569 -17.009 -6.359 1.00 0.00 C ATOM 737 CG2 VAL A 54 -3.799 -17.505 -3.916 1.00 0.00 C ATOM 0 H VAL A 54 -5.940 -19.204 -3.994 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.050 -16.624 -5.206 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.050 -18.899 -5.508 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.493 -17.155 -6.271 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.896 -17.310 -7.354 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.806 -15.957 -6.202 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.719 -17.641 -3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.046 -16.467 -3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.284 -18.158 -3.190 1.00 0.00 H new ATOM 747 N LYS A 55 -6.556 -16.999 -7.617 1.00 0.00 N ATOM 748 CA LYS A 55 -7.004 -17.206 -8.986 1.00 0.00 C ATOM 749 C LYS A 55 -6.174 -16.382 -9.966 1.00 0.00 C ATOM 750 O LYS A 55 -5.695 -16.899 -10.975 1.00 0.00 O ATOM 751 CB LYS A 55 -8.484 -16.840 -9.123 1.00 0.00 C ATOM 752 CG LYS A 55 -9.074 -17.186 -10.481 1.00 0.00 C ATOM 753 CD LYS A 55 -9.161 -18.691 -10.684 1.00 0.00 C ATOM 754 CE LYS A 55 -9.767 -19.037 -12.034 1.00 0.00 C ATOM 755 NZ LYS A 55 -11.132 -18.466 -12.196 1.00 0.00 N ATOM 0 H LYS A 55 -6.487 -16.020 -7.338 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.872 -18.261 -9.225 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.050 -17.356 -8.348 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.603 -15.771 -8.946 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.068 -16.748 -10.569 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.461 -16.747 -11.268 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.165 -19.127 -10.609 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.763 -19.132 -9.890 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.121 -18.662 -12.828 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.812 -20.120 -12.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.600 -18.911 -13.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.688 -18.646 -11.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.063 -17.441 -12.355 1.00 0.00 H new ATOM 769 N GLU A 56 -6.003 -15.098 -9.661 1.00 0.00 N ATOM 770 CA GLU A 56 -5.233 -14.208 -10.521 1.00 0.00 C ATOM 771 C GLU A 56 -4.292 -13.329 -9.702 1.00 0.00 C ATOM 772 O GLU A 56 -4.731 -12.412 -9.008 1.00 0.00 O ATOM 773 CB GLU A 56 -6.173 -13.332 -11.353 1.00 0.00 C ATOM 774 CG GLU A 56 -5.452 -12.412 -12.325 1.00 0.00 C ATOM 775 CD GLU A 56 -4.634 -13.171 -13.351 1.00 0.00 C ATOM 776 OE1 GLU A 56 -5.206 -13.573 -14.386 1.00 0.00 O ATOM 777 OE2 GLU A 56 -3.421 -13.362 -13.121 1.00 0.00 O ATOM 0 H GLU A 56 -6.387 -14.653 -8.827 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.631 -14.824 -11.189 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.854 -13.974 -11.912 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.783 -12.729 -10.681 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.183 -11.788 -12.839 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.797 -11.742 -11.767 1.00 0.00 H new ATOM 784 N LEU A 57 -2.999 -13.620 -9.789 1.00 0.00 N ATOM 785 CA LEU A 57 -1.991 -12.856 -9.060 1.00 0.00 C ATOM 786 C LEU A 57 -1.761 -11.498 -9.719 1.00 0.00 C ATOM 787 O LEU A 57 -2.356 -11.190 -10.751 1.00 0.00 O ATOM 788 CB LEU A 57 -0.671 -13.636 -8.990 1.00 0.00 C ATOM 789 CG LEU A 57 0.216 -13.552 -10.239 1.00 0.00 C ATOM 790 CD1 LEU A 57 1.572 -14.187 -9.971 1.00 0.00 C ATOM 791 CD2 LEU A 57 -0.457 -14.223 -11.428 1.00 0.00 C ATOM 0 H LEU A 57 -2.623 -14.379 -10.357 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.358 -12.693 -8.046 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.100 -13.273 -8.136 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.899 -14.684 -8.798 1.00 0.00 H new ATOM 0 HG LEU A 57 0.365 -12.499 -10.480 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.189 -14.119 -10.867 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.064 -13.663 -9.151 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.436 -15.235 -9.702 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.191 -14.151 -12.301 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.640 -15.273 -11.198 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.405 -13.727 -11.637 1.00 0.00 H new ATOM 803 N LYS A 58 -0.894 -10.692 -9.114 1.00 0.00 N ATOM 804 CA LYS A 58 -0.581 -9.371 -9.643 1.00 0.00 C ATOM 805 C LYS A 58 0.928 -9.171 -9.741 1.00 0.00 C ATOM 806 O LYS A 58 1.423 -8.561 -10.689 1.00 0.00 O ATOM 807 CB LYS A 58 -1.194 -8.282 -8.760 1.00 0.00 C ATOM 808 CG LYS A 58 -0.921 -6.870 -9.253 1.00 0.00 C ATOM 809 CD LYS A 58 -1.603 -6.601 -10.587 1.00 0.00 C ATOM 810 CE LYS A 58 -1.311 -5.198 -11.091 1.00 0.00 C ATOM 811 NZ LYS A 58 -1.961 -4.932 -12.405 1.00 0.00 N ATOM 0 H LYS A 58 -0.396 -10.932 -8.257 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.008 -9.298 -10.643 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.272 -8.436 -8.704 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.804 -8.386 -7.747 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.272 -6.151 -8.513 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.154 -6.722 -9.357 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.265 -7.330 -11.323 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.680 -6.733 -10.479 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.660 -4.470 -10.359 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.233 -5.063 -11.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.737 -3.964 -12.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.609 -5.611 -13.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.991 -5.035 -12.310 1.00 0.00 H new ATOM 825 N VAL A 59 1.653 -9.687 -8.753 1.00 0.00 N ATOM 826 CA VAL A 59 3.105 -9.568 -8.724 1.00 0.00 C ATOM 827 C VAL A 59 3.767 -10.942 -8.720 1.00 0.00 C ATOM 828 O VAL A 59 3.265 -11.883 -8.104 1.00 0.00 O ATOM 829 CB VAL A 59 3.580 -8.776 -7.491 1.00 0.00 C ATOM 830 CG1 VAL A 59 3.026 -7.361 -7.520 1.00 0.00 C ATOM 831 CG2 VAL A 59 3.178 -9.487 -6.207 1.00 0.00 C ATOM 0 H VAL A 59 1.257 -10.192 -7.961 1.00 0.00 H new ATOM 0 HA VAL A 59 3.397 -9.029 -9.625 1.00 0.00 H new ATOM 0 HB VAL A 59 4.668 -8.718 -7.519 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.372 -6.817 -6.641 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.371 -6.853 -8.421 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.937 -7.397 -7.519 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.523 -8.911 -5.349 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.093 -9.582 -6.168 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.630 -10.479 -6.184 1.00 0.00 H new ATOM 841 N ASN A 60 4.897 -11.051 -9.411 1.00 0.00 N ATOM 842 CA ASN A 60 5.628 -12.311 -9.484 1.00 0.00 C ATOM 843 C ASN A 60 6.756 -12.340 -8.458 1.00 0.00 C ATOM 844 O ASN A 60 7.304 -11.299 -8.095 1.00 0.00 O ATOM 845 CB ASN A 60 6.196 -12.517 -10.890 1.00 0.00 C ATOM 846 CG ASN A 60 5.124 -12.836 -11.916 1.00 0.00 C ATOM 847 OD1 ASN A 60 3.913 -12.334 -11.695 1.00 0.00 O flip ATOM 848 ND2 ASN A 60 5.381 -13.531 -12.899 1.00 0.00 N flip ATOM 0 H ASN A 60 5.326 -10.283 -9.928 1.00 0.00 H new ATOM 0 HA ASN A 60 4.933 -13.121 -9.261 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.730 -11.618 -11.197 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.924 -13.328 -10.868 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.324 -13.897 -13.032 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.651 -13.741 -13.580 1.00 0.00 H new ATOM 855 N VAL A 61 7.096 -13.540 -7.994 1.00 0.00 N ATOM 856 CA VAL A 61 8.159 -13.705 -7.010 1.00 0.00 C ATOM 857 C VAL A 61 9.471 -13.115 -7.516 1.00 0.00 C ATOM 858 O VAL A 61 9.900 -13.397 -8.634 1.00 0.00 O ATOM 859 CB VAL A 61 8.376 -15.191 -6.661 1.00 0.00 C ATOM 860 CG1 VAL A 61 9.407 -15.337 -5.552 1.00 0.00 C ATOM 861 CG2 VAL A 61 7.059 -15.843 -6.266 1.00 0.00 C ATOM 0 H VAL A 61 6.651 -14.411 -8.284 1.00 0.00 H new ATOM 0 HA VAL A 61 7.846 -13.172 -6.112 1.00 0.00 H new ATOM 0 HB VAL A 61 8.757 -15.701 -7.546 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.545 -16.393 -5.321 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.355 -14.910 -5.878 1.00 0.00 H new ATOM 0 HG13 VAL A 61 9.060 -14.813 -4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.231 -16.892 -6.023 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.646 -15.332 -5.396 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.355 -15.773 -7.096 1.00 0.00 H new ATOM 871 N GLY A 62 10.102 -12.293 -6.683 1.00 0.00 N ATOM 872 CA GLY A 62 11.357 -11.671 -7.062 1.00 0.00 C ATOM 873 C GLY A 62 11.168 -10.259 -7.580 1.00 0.00 C ATOM 874 O GLY A 62 12.140 -9.563 -7.874 1.00 0.00 O ATOM 0 H GLY A 62 9.766 -12.047 -5.752 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.025 -11.653 -6.201 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.842 -12.275 -7.829 1.00 0.00 H new ATOM 878 N ASP A 63 9.911 -9.836 -7.691 1.00 0.00 N ATOM 879 CA ASP A 63 9.592 -8.499 -8.180 1.00 0.00 C ATOM 880 C ASP A 63 9.182 -7.576 -7.035 1.00 0.00 C ATOM 881 O ASP A 63 8.171 -7.806 -6.371 1.00 0.00 O ATOM 882 CB ASP A 63 8.470 -8.568 -9.217 1.00 0.00 C ATOM 883 CG ASP A 63 8.869 -9.352 -10.452 1.00 0.00 C ATOM 884 OD1 ASP A 63 8.672 -10.586 -10.462 1.00 0.00 O ATOM 885 OD2 ASP A 63 9.376 -8.733 -11.411 1.00 0.00 O ATOM 0 H ASP A 63 9.097 -10.401 -7.449 1.00 0.00 H new ATOM 0 HA ASP A 63 10.489 -8.090 -8.646 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.591 -9.029 -8.766 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.186 -7.557 -9.508 1.00 0.00 H new ATOM 890 N LYS A 64 9.988 -6.541 -6.805 1.00 0.00 N ATOM 891 CA LYS A 64 9.724 -5.559 -5.753 1.00 0.00 C ATOM 892 C LYS A 64 8.278 -5.062 -5.778 1.00 0.00 C ATOM 893 O LYS A 64 7.530 -5.318 -6.722 1.00 0.00 O ATOM 894 CB LYS A 64 10.680 -4.373 -5.897 1.00 0.00 C ATOM 895 CG LYS A 64 10.512 -3.610 -7.202 1.00 0.00 C ATOM 896 CD LYS A 64 11.479 -2.439 -7.297 1.00 0.00 C ATOM 897 CE LYS A 64 11.158 -1.363 -6.272 1.00 0.00 C ATOM 898 NZ LYS A 64 12.073 -0.193 -6.389 1.00 0.00 N ATOM 0 H LYS A 64 10.838 -6.359 -7.339 1.00 0.00 H new ATOM 0 HA LYS A 64 9.886 -6.054 -4.796 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.524 -3.689 -5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.706 -4.734 -5.826 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.674 -4.285 -8.042 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.488 -3.244 -7.281 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.498 -2.795 -7.145 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.437 -2.012 -8.299 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.128 -1.033 -6.403 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.233 -1.783 -5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.888 0.471 -5.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.060 -0.518 -6.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.911 0.285 -7.298 1.00 0.00 H new ATOM 912 N VAL A 65 7.902 -4.334 -4.728 1.00 0.00 N ATOM 913 CA VAL A 65 6.554 -3.794 -4.602 1.00 0.00 C ATOM 914 C VAL A 65 6.598 -2.337 -4.145 1.00 0.00 C ATOM 915 O VAL A 65 7.630 -1.859 -3.672 1.00 0.00 O ATOM 916 CB VAL A 65 5.716 -4.616 -3.599 1.00 0.00 C ATOM 917 CG1 VAL A 65 6.113 -4.292 -2.165 1.00 0.00 C ATOM 918 CG2 VAL A 65 4.230 -4.379 -3.812 1.00 0.00 C ATOM 0 H VAL A 65 8.518 -4.105 -3.948 1.00 0.00 H new ATOM 0 HA VAL A 65 6.086 -3.852 -5.585 1.00 0.00 H new ATOM 0 HB VAL A 65 5.920 -5.672 -3.777 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.508 -4.884 -1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.167 -4.528 -2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.948 -3.232 -1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.661 -4.969 -3.094 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.006 -3.321 -3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.956 -4.676 -4.824 1.00 0.00 H new ATOM 928 N LYS A 66 5.477 -1.636 -4.285 1.00 0.00 N ATOM 929 CA LYS A 66 5.399 -0.237 -3.879 1.00 0.00 C ATOM 930 C LYS A 66 4.049 0.073 -3.241 1.00 0.00 C ATOM 931 O LYS A 66 3.045 -0.570 -3.544 1.00 0.00 O ATOM 932 CB LYS A 66 5.638 0.680 -5.079 1.00 0.00 C ATOM 933 CG LYS A 66 7.048 0.584 -5.639 1.00 0.00 C ATOM 934 CD LYS A 66 7.251 1.527 -6.813 1.00 0.00 C ATOM 935 CE LYS A 66 8.678 1.465 -7.333 1.00 0.00 C ATOM 936 NZ LYS A 66 9.671 1.809 -6.277 1.00 0.00 N ATOM 0 H LYS A 66 4.613 -2.012 -4.675 1.00 0.00 H new ATOM 0 HA LYS A 66 6.177 -0.057 -3.137 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.925 0.431 -5.865 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.441 1.711 -4.784 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.768 0.819 -4.855 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.245 -0.440 -5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.559 1.268 -7.614 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.017 2.547 -6.507 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.883 0.464 -7.711 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.788 2.152 -8.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.593 2.004 -6.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.349 2.652 -5.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.765 1.012 -5.616 1.00 0.00 H new ATOM 950 N THR A 67 4.037 1.064 -2.354 1.00 0.00 N ATOM 951 CA THR A 67 2.815 1.462 -1.666 1.00 0.00 C ATOM 952 C THR A 67 1.746 1.911 -2.656 1.00 0.00 C ATOM 953 O THR A 67 1.995 2.763 -3.508 1.00 0.00 O ATOM 954 CB THR A 67 3.077 2.604 -0.666 1.00 0.00 C ATOM 955 OG1 THR A 67 3.570 3.758 -1.357 1.00 0.00 O ATOM 956 CG2 THR A 67 4.081 2.177 0.394 1.00 0.00 C ATOM 0 H THR A 67 4.861 1.606 -2.095 1.00 0.00 H new ATOM 0 HA THR A 67 2.462 0.585 -1.123 1.00 0.00 H new ATOM 0 HB THR A 67 2.135 2.849 -0.175 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.323 3.703 -2.304 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.249 3.000 1.088 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.691 1.317 0.939 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.023 1.907 -0.084 1.00 0.00 H new ATOM 964 N GLY A 68 0.556 1.330 -2.535 1.00 0.00 N ATOM 965 CA GLY A 68 -0.536 1.683 -3.423 1.00 0.00 C ATOM 966 C GLY A 68 -0.677 0.719 -4.585 1.00 0.00 C ATOM 967 O GLY A 68 -1.602 0.839 -5.388 1.00 0.00 O ATOM 0 H GLY A 68 0.329 0.621 -1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.467 1.703 -2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.375 2.690 -3.808 1.00 0.00 H new ATOM 971 N SER A 69 0.238 -0.241 -4.674 1.00 0.00 N ATOM 972 CA SER A 69 0.207 -1.226 -5.748 1.00 0.00 C ATOM 973 C SER A 69 -0.361 -2.553 -5.254 1.00 0.00 C ATOM 974 O SER A 69 -0.031 -3.014 -4.162 1.00 0.00 O ATOM 975 CB SER A 69 1.611 -1.437 -6.314 1.00 0.00 C ATOM 976 OG SER A 69 1.601 -2.390 -7.363 1.00 0.00 O ATOM 0 H SER A 69 1.009 -0.357 -4.016 1.00 0.00 H new ATOM 0 HA SER A 69 -0.442 -0.846 -6.537 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.004 -0.490 -6.683 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.280 -1.772 -5.521 1.00 0.00 H new ATOM 0 HG SER A 69 2.511 -2.505 -7.709 1.00 0.00 H new ATOM 982 N LEU A 70 -1.218 -3.160 -6.069 1.00 0.00 N ATOM 983 CA LEU A 70 -1.838 -4.432 -5.719 1.00 0.00 C ATOM 984 C LEU A 70 -0.800 -5.548 -5.656 1.00 0.00 C ATOM 985 O LEU A 70 0.299 -5.416 -6.197 1.00 0.00 O ATOM 986 CB LEU A 70 -2.924 -4.787 -6.735 1.00 0.00 C ATOM 987 CG LEU A 70 -4.071 -3.780 -6.839 1.00 0.00 C ATOM 988 CD1 LEU A 70 -4.995 -4.143 -7.990 1.00 0.00 C ATOM 989 CD2 LEU A 70 -4.847 -3.716 -5.530 1.00 0.00 C ATOM 0 H LEU A 70 -1.499 -2.790 -6.977 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.290 -4.328 -4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.461 -4.890 -7.717 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.339 -5.761 -6.475 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.647 -2.795 -7.035 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.805 -3.416 -8.049 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.433 -4.137 -8.924 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.411 -5.137 -7.823 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.659 -2.995 -5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.259 -4.699 -5.303 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.179 -3.408 -4.726 1.00 0.00 H new ATOM 1001 N ILE A 71 -1.153 -6.646 -4.991 1.00 0.00 N ATOM 1002 CA ILE A 71 -0.251 -7.785 -4.862 1.00 0.00 C ATOM 1003 C ILE A 71 -0.933 -9.082 -5.284 1.00 0.00 C ATOM 1004 O ILE A 71 -0.313 -9.940 -5.911 1.00 0.00 O ATOM 1005 CB ILE A 71 0.274 -7.933 -3.419 1.00 0.00 C ATOM 1006 CG1 ILE A 71 -0.888 -7.962 -2.422 1.00 0.00 C ATOM 1007 CG2 ILE A 71 1.239 -6.802 -3.090 1.00 0.00 C ATOM 1008 CD1 ILE A 71 -0.465 -8.271 -1.001 1.00 0.00 C ATOM 0 H ILE A 71 -2.057 -6.770 -4.534 1.00 0.00 H new ATOM 0 HA ILE A 71 0.592 -7.592 -5.525 1.00 0.00 H new ATOM 0 HB ILE A 71 0.811 -8.878 -3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.394 -6.997 -2.439 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.614 -8.708 -2.746 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.602 -6.919 -2.069 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.082 -6.831 -3.780 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.725 -5.846 -3.185 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.341 -8.274 -0.353 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.014 -9.250 -0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.238 -7.512 -0.657 1.00 0.00 H new ATOM 1020 N MET A 72 -2.211 -9.219 -4.939 1.00 0.00 N ATOM 1021 CA MET A 72 -2.968 -10.417 -5.285 1.00 0.00 C ATOM 1022 C MET A 72 -4.467 -10.186 -5.118 1.00 0.00 C ATOM 1023 O MET A 72 -4.890 -9.288 -4.393 1.00 0.00 O ATOM 1024 CB MET A 72 -2.523 -11.595 -4.412 1.00 0.00 C ATOM 1025 CG MET A 72 -3.141 -12.925 -4.814 1.00 0.00 C ATOM 1026 SD MET A 72 -2.566 -14.295 -3.792 1.00 0.00 S ATOM 1027 CE MET A 72 -0.832 -14.342 -4.232 1.00 0.00 C ATOM 0 H MET A 72 -2.742 -8.518 -4.422 1.00 0.00 H new ATOM 0 HA MET A 72 -2.770 -10.650 -6.331 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.437 -11.680 -4.459 1.00 0.00 H new ATOM 0 HB3 MET A 72 -2.781 -11.384 -3.374 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.226 -12.854 -4.742 1.00 0.00 H new ATOM 0 HG3 MET A 72 -2.904 -13.131 -5.858 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.410 -15.306 -3.946 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.726 -14.204 -5.308 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.302 -13.545 -3.710 1.00 0.00 H new ATOM 1037 N ILE A 73 -5.262 -11.003 -5.801 1.00 0.00 N ATOM 1038 CA ILE A 73 -6.714 -10.901 -5.726 1.00 0.00 C ATOM 1039 C ILE A 73 -7.328 -12.262 -5.420 1.00 0.00 C ATOM 1040 O ILE A 73 -7.011 -13.257 -6.075 1.00 0.00 O ATOM 1041 CB ILE A 73 -7.312 -10.359 -7.037 1.00 0.00 C ATOM 1042 CG1 ILE A 73 -6.619 -9.053 -7.436 1.00 0.00 C ATOM 1043 CG2 ILE A 73 -8.813 -10.146 -6.884 1.00 0.00 C ATOM 1044 CD1 ILE A 73 -7.102 -8.481 -8.753 1.00 0.00 C ATOM 0 H ILE A 73 -4.924 -11.745 -6.414 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.948 -10.202 -4.923 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.147 -11.091 -7.827 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.777 -8.314 -6.650 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.545 -9.227 -7.499 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.223 -9.763 -7.818 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.292 -11.094 -6.639 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.999 -9.429 -6.085 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.565 -7.557 -8.967 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.919 -9.200 -9.551 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.170 -8.273 -8.690 1.00 0.00 H new ATOM 1056 N PHE A 74 -8.203 -12.304 -4.422 1.00 0.00 N ATOM 1057 CA PHE A 74 -8.852 -13.550 -4.030 1.00 0.00 C ATOM 1058 C PHE A 74 -10.272 -13.638 -4.573 1.00 0.00 C ATOM 1059 O PHE A 74 -11.086 -12.740 -4.362 1.00 0.00 O ATOM 1060 CB PHE A 74 -8.878 -13.676 -2.508 1.00 0.00 C ATOM 1061 CG PHE A 74 -7.515 -13.779 -1.892 1.00 0.00 C ATOM 1062 CD1 PHE A 74 -6.826 -14.980 -1.907 1.00 0.00 C ATOM 1063 CD2 PHE A 74 -6.924 -12.677 -1.296 1.00 0.00 C ATOM 1064 CE1 PHE A 74 -5.574 -15.082 -1.340 1.00 0.00 C ATOM 1065 CE2 PHE A 74 -5.669 -12.772 -0.726 1.00 0.00 C ATOM 1066 CZ PHE A 74 -4.992 -13.976 -0.747 1.00 0.00 C ATOM 0 H PHE A 74 -8.479 -11.492 -3.870 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.273 -14.369 -4.456 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.393 -12.812 -2.089 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.459 -14.557 -2.234 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.275 -15.847 -2.368 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.450 -11.734 -1.277 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.048 -16.025 -1.359 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.218 -11.906 -0.265 1.00 0.00 H new ATOM 0 HZ PHE A 74 -4.011 -14.054 -0.302 1.00 0.00 H new ATOM 1076 N GLU A 75 -10.560 -14.732 -5.271 1.00 0.00 N ATOM 1077 CA GLU A 75 -11.887 -14.952 -5.830 1.00 0.00 C ATOM 1078 C GLU A 75 -12.736 -15.763 -4.858 1.00 0.00 C ATOM 1079 O GLU A 75 -12.709 -16.993 -4.869 1.00 0.00 O ATOM 1080 CB GLU A 75 -11.790 -15.680 -7.173 1.00 0.00 C ATOM 1081 CG GLU A 75 -13.135 -15.889 -7.849 1.00 0.00 C ATOM 1082 CD GLU A 75 -13.016 -16.619 -9.174 1.00 0.00 C ATOM 1083 OE1 GLU A 75 -12.780 -15.950 -10.201 1.00 0.00 O ATOM 1084 OE2 GLU A 75 -13.160 -17.859 -9.182 1.00 0.00 O ATOM 0 H GLU A 75 -9.892 -15.479 -5.462 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.359 -13.983 -5.993 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.142 -15.111 -7.840 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.316 -16.649 -7.018 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -13.787 -16.455 -7.184 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -13.609 -14.921 -8.013 1.00 0.00 H new ATOM 1091 N VAL A 76 -13.481 -15.062 -4.012 1.00 0.00 N ATOM 1092 CA VAL A 76 -14.333 -15.712 -3.024 1.00 0.00 C ATOM 1093 C VAL A 76 -15.789 -15.718 -3.478 1.00 0.00 C ATOM 1094 O VAL A 76 -16.206 -14.868 -4.264 1.00 0.00 O ATOM 1095 CB VAL A 76 -14.222 -15.012 -1.653 1.00 0.00 C ATOM 1096 CG1 VAL A 76 -14.798 -13.606 -1.718 1.00 0.00 C ATOM 1097 CG2 VAL A 76 -14.908 -15.829 -0.570 1.00 0.00 C ATOM 0 H VAL A 76 -13.512 -14.043 -3.990 1.00 0.00 H new ATOM 0 HA VAL A 76 -13.990 -16.742 -2.924 1.00 0.00 H new ATOM 0 HB VAL A 76 -13.165 -14.934 -1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -14.709 -13.131 -0.741 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -14.249 -13.022 -2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.849 -13.656 -2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.816 -15.315 0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -15.963 -15.949 -0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.438 -16.810 -0.501 1.00 0.00 H new ATOM 1853 N SER B 43 -15.135 -11.096 -4.926 1.00 0.00 N ATOM 1854 CA SER B 43 -13.681 -11.003 -5.013 1.00 0.00 C ATOM 1855 C SER B 43 -13.213 -9.607 -4.617 1.00 0.00 C ATOM 1856 O SER B 43 -13.859 -8.611 -4.946 1.00 0.00 O ATOM 1857 CB SER B 43 -13.207 -11.334 -6.430 1.00 0.00 C ATOM 1858 OG SER B 43 -11.797 -11.242 -6.531 1.00 0.00 O ATOM 0 HA SER B 43 -13.249 -11.727 -4.322 1.00 0.00 H new ATOM 0 HB2 SER B 43 -13.529 -12.340 -6.699 1.00 0.00 H new ATOM 0 HB3 SER B 43 -13.671 -10.650 -7.141 1.00 0.00 H new ATOM 0 HG SER B 43 -11.384 -11.703 -5.771 1.00 0.00 H new ATOM 1864 N MET B 44 -12.091 -9.538 -3.910 1.00 0.00 N ATOM 1865 CA MET B 44 -11.551 -8.259 -3.466 1.00 0.00 C ATOM 1866 C MET B 44 -10.036 -8.211 -3.627 1.00 0.00 C ATOM 1867 O MET B 44 -9.319 -9.090 -3.149 1.00 0.00 O ATOM 1868 CB MET B 44 -11.931 -8.007 -2.006 1.00 0.00 C ATOM 1869 CG MET B 44 -11.463 -6.661 -1.475 1.00 0.00 C ATOM 1870 SD MET B 44 -12.087 -5.274 -2.447 1.00 0.00 S ATOM 1871 CE MET B 44 -13.856 -5.489 -2.259 1.00 0.00 C ATOM 0 H MET B 44 -11.539 -10.350 -3.633 1.00 0.00 H new ATOM 0 HA MET B 44 -11.982 -7.477 -4.091 1.00 0.00 H new ATOM 0 HB2 MET B 44 -13.015 -8.070 -1.906 1.00 0.00 H new ATOM 0 HB3 MET B 44 -11.507 -8.799 -1.388 1.00 0.00 H new ATOM 0 HG2 MET B 44 -11.788 -6.550 -0.441 1.00 0.00 H new ATOM 0 HG3 MET B 44 -10.373 -6.636 -1.471 1.00 0.00 H new ATOM 0 HE1 MET B 44 -14.366 -4.566 -2.535 1.00 0.00 H new ATOM 0 HE2 MET B 44 -14.195 -6.299 -2.905 1.00 0.00 H new ATOM 0 HE3 MET B 44 -14.085 -5.733 -1.222 1.00 0.00 H new ATOM 1881 N GLU B 45 -9.557 -7.171 -4.303 1.00 0.00 N ATOM 1882 CA GLU B 45 -8.128 -6.996 -4.532 1.00 0.00 C ATOM 1883 C GLU B 45 -7.454 -6.373 -3.313 1.00 0.00 C ATOM 1884 O GLU B 45 -7.978 -5.429 -2.719 1.00 0.00 O ATOM 1885 CB GLU B 45 -7.895 -6.118 -5.764 1.00 0.00 C ATOM 1886 CG GLU B 45 -8.608 -4.776 -5.703 1.00 0.00 C ATOM 1887 CD GLU B 45 -8.367 -3.927 -6.935 1.00 0.00 C ATOM 1888 OE1 GLU B 45 -8.911 -4.268 -8.007 1.00 0.00 O ATOM 1889 OE2 GLU B 45 -7.635 -2.921 -6.829 1.00 0.00 O ATOM 0 H GLU B 45 -10.140 -6.435 -4.702 1.00 0.00 H new ATOM 0 HA GLU B 45 -7.688 -7.978 -4.704 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -6.825 -5.946 -5.879 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -8.228 -6.656 -6.651 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -9.679 -4.943 -5.586 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -8.273 -4.231 -4.820 1.00 0.00 H new ATOM 1896 N VAL B 46 -6.293 -6.907 -2.943 1.00 0.00 N ATOM 1897 CA VAL B 46 -5.551 -6.400 -1.794 1.00 0.00 C ATOM 1898 C VAL B 46 -4.231 -5.761 -2.227 1.00 0.00 C ATOM 1899 O VAL B 46 -3.557 -6.266 -3.126 1.00 0.00 O ATOM 1900 CB VAL B 46 -5.260 -7.521 -0.773 1.00 0.00 C ATOM 1901 CG1 VAL B 46 -6.558 -8.104 -0.236 1.00 0.00 C ATOM 1902 CG2 VAL B 46 -4.399 -8.611 -1.395 1.00 0.00 C ATOM 0 H VAL B 46 -5.847 -7.689 -3.422 1.00 0.00 H new ATOM 0 HA VAL B 46 -6.178 -5.643 -1.321 1.00 0.00 H new ATOM 0 HB VAL B 46 -4.707 -7.087 0.060 1.00 0.00 H new ATOM 0 HG11 VAL B 46 -6.333 -8.893 0.482 1.00 0.00 H new ATOM 0 HG12 VAL B 46 -7.134 -7.319 0.255 1.00 0.00 H new ATOM 0 HG13 VAL B 46 -7.139 -8.519 -1.060 1.00 0.00 H new ATOM 0 HG21 VAL B 46 -4.208 -9.389 -0.656 1.00 0.00 H new ATOM 0 HG22 VAL B 46 -4.920 -9.042 -2.250 1.00 0.00 H new ATOM 0 HG23 VAL B 46 -3.452 -8.183 -1.725 1.00 0.00 H new ATOM 1912 N PRO B 47 -3.840 -4.635 -1.595 1.00 0.00 N ATOM 1913 CA PRO B 47 -2.609 -3.932 -1.912 1.00 0.00 C ATOM 1914 C PRO B 47 -1.497 -4.222 -0.907 1.00 0.00 C ATOM 1915 O PRO B 47 -1.714 -4.902 0.095 1.00 0.00 O ATOM 1916 CB PRO B 47 -3.056 -2.480 -1.795 1.00 0.00 C ATOM 1917 CG PRO B 47 -4.083 -2.484 -0.699 1.00 0.00 C ATOM 1918 CD PRO B 47 -4.589 -3.908 -0.560 1.00 0.00 C ATOM 0 HA PRO B 47 -2.191 -4.215 -2.878 1.00 0.00 H new ATOM 0 HB2 PRO B 47 -2.219 -1.826 -1.551 1.00 0.00 H new ATOM 0 HB3 PRO B 47 -3.479 -2.119 -2.733 1.00 0.00 H new ATOM 0 HG2 PRO B 47 -3.646 -2.138 0.238 1.00 0.00 H new ATOM 0 HG3 PRO B 47 -4.903 -1.806 -0.938 1.00 0.00 H new ATOM 0 HD2 PRO B 47 -4.394 -4.309 0.435 1.00 0.00 H new ATOM 0 HD3 PRO B 47 -5.665 -3.970 -0.723 1.00 0.00 H new ATOM 1926 N ALA B 48 -0.305 -3.702 -1.186 1.00 0.00 N ATOM 1927 CA ALA B 48 0.841 -3.904 -0.308 1.00 0.00 C ATOM 1928 C ALA B 48 0.880 -2.847 0.796 1.00 0.00 C ATOM 1929 O ALA B 48 0.593 -1.676 0.548 1.00 0.00 O ATOM 1930 CB ALA B 48 2.130 -3.876 -1.114 1.00 0.00 C ATOM 0 H ALA B 48 -0.109 -3.138 -2.013 1.00 0.00 H new ATOM 0 HA ALA B 48 0.741 -4.881 0.165 1.00 0.00 H new ATOM 0 HB1 ALA B 48 2.979 -4.028 -0.448 1.00 0.00 H new ATOM 0 HB2 ALA B 48 2.109 -4.669 -1.862 1.00 0.00 H new ATOM 0 HB3 ALA B 48 2.227 -2.911 -1.611 1.00 0.00 H new ATOM 1936 N PRO B 49 1.234 -3.244 2.034 1.00 0.00 N ATOM 1937 CA PRO B 49 1.308 -2.316 3.168 1.00 0.00 C ATOM 1938 C PRO B 49 2.460 -1.324 3.039 1.00 0.00 C ATOM 1939 O PRO B 49 2.286 -0.126 3.264 1.00 0.00 O ATOM 1940 CB PRO B 49 1.532 -3.235 4.371 1.00 0.00 C ATOM 1941 CG PRO B 49 2.163 -4.458 3.803 1.00 0.00 C ATOM 1942 CD PRO B 49 1.583 -4.623 2.427 1.00 0.00 C ATOM 0 HA PRO B 49 0.411 -1.702 3.243 1.00 0.00 H new ATOM 0 HB2 PRO B 49 2.177 -2.765 5.113 1.00 0.00 H new ATOM 0 HB3 PRO B 49 0.592 -3.470 4.870 1.00 0.00 H new ATOM 0 HG2 PRO B 49 3.247 -4.353 3.759 1.00 0.00 H new ATOM 0 HG3 PRO B 49 1.952 -5.330 4.422 1.00 0.00 H new ATOM 0 HD2 PRO B 49 2.302 -5.067 1.739 1.00 0.00 H new ATOM 0 HD3 PRO B 49 0.707 -5.272 2.435 1.00 0.00 H new ATOM 1950 N PHE B 50 3.636 -1.826 2.674 1.00 0.00 N ATOM 1951 CA PHE B 50 4.814 -0.977 2.522 1.00 0.00 C ATOM 1952 C PHE B 50 5.657 -1.421 1.331 1.00 0.00 C ATOM 1953 O PHE B 50 5.516 -2.541 0.841 1.00 0.00 O ATOM 1954 CB PHE B 50 5.659 -1.006 3.798 1.00 0.00 C ATOM 1955 CG PHE B 50 6.236 -2.360 4.105 1.00 0.00 C ATOM 1956 CD1 PHE B 50 5.430 -3.373 4.597 1.00 0.00 C ATOM 1957 CD2 PHE B 50 7.582 -2.621 3.899 1.00 0.00 C ATOM 1958 CE1 PHE B 50 5.952 -4.620 4.877 1.00 0.00 C ATOM 1959 CE2 PHE B 50 8.111 -3.867 4.177 1.00 0.00 C ATOM 1960 CZ PHE B 50 7.293 -4.869 4.667 1.00 0.00 C ATOM 0 H PHE B 50 3.799 -2.814 2.478 1.00 0.00 H new ATOM 0 HA PHE B 50 4.473 0.043 2.343 1.00 0.00 H new ATOM 0 HB2 PHE B 50 6.472 -0.287 3.702 1.00 0.00 H new ATOM 0 HB3 PHE B 50 5.045 -0.683 4.638 1.00 0.00 H new ATOM 0 HD1 PHE B 50 4.380 -3.185 4.764 1.00 0.00 H new ATOM 0 HD2 PHE B 50 8.224 -1.842 3.517 1.00 0.00 H new ATOM 0 HE1 PHE B 50 5.311 -5.400 5.260 1.00 0.00 H new ATOM 0 HE2 PHE B 50 9.161 -4.058 4.012 1.00 0.00 H new ATOM 0 HZ PHE B 50 7.703 -5.844 4.885 1.00 0.00 H new ATOM 1970 N ALA B 51 6.536 -0.534 0.873 1.00 0.00 N ATOM 1971 CA ALA B 51 7.406 -0.833 -0.258 1.00 0.00 C ATOM 1972 C ALA B 51 8.530 -1.778 0.153 1.00 0.00 C ATOM 1973 O ALA B 51 8.973 -1.769 1.300 1.00 0.00 O ATOM 1974 CB ALA B 51 7.977 0.452 -0.838 1.00 0.00 C ATOM 0 H ALA B 51 6.664 0.397 1.268 1.00 0.00 H new ATOM 0 HA ALA B 51 6.811 -1.329 -1.024 1.00 0.00 H new ATOM 0 HB1 ALA B 51 8.625 0.214 -1.682 1.00 0.00 H new ATOM 0 HB2 ALA B 51 7.162 1.092 -1.175 1.00 0.00 H new ATOM 0 HB3 ALA B 51 8.554 0.972 -0.073 1.00 0.00 H new ATOM 1980 N GLY B 52 8.985 -2.591 -0.794 1.00 0.00 N ATOM 1981 CA GLY B 52 10.053 -3.536 -0.515 1.00 0.00 C ATOM 1982 C GLY B 52 10.217 -4.556 -1.623 1.00 0.00 C ATOM 1983 O GLY B 52 9.308 -4.754 -2.426 1.00 0.00 O ATOM 0 H GLY B 52 8.634 -2.613 -1.751 1.00 0.00 H new ATOM 0 HA2 GLY B 52 10.989 -2.994 -0.380 1.00 0.00 H new ATOM 0 HA3 GLY B 52 9.845 -4.051 0.423 1.00 0.00 H new ATOM 1987 N VAL B 53 11.371 -5.213 -1.666 1.00 0.00 N ATOM 1988 CA VAL B 53 11.633 -6.208 -2.692 1.00 0.00 C ATOM 1989 C VAL B 53 11.358 -7.618 -2.179 1.00 0.00 C ATOM 1990 O VAL B 53 11.614 -7.931 -1.016 1.00 0.00 O ATOM 1991 CB VAL B 53 13.085 -6.119 -3.200 1.00 0.00 C ATOM 1992 CG1 VAL B 53 13.431 -4.690 -3.587 1.00 0.00 C ATOM 1993 CG2 VAL B 53 14.057 -6.645 -2.160 1.00 0.00 C ATOM 0 H VAL B 53 12.135 -5.074 -1.004 1.00 0.00 H new ATOM 0 HA VAL B 53 10.957 -5.997 -3.520 1.00 0.00 H new ATOM 0 HB VAL B 53 13.172 -6.745 -4.088 1.00 0.00 H new ATOM 0 HG11 VAL B 53 14.460 -4.649 -3.943 1.00 0.00 H new ATOM 0 HG12 VAL B 53 12.760 -4.354 -4.378 1.00 0.00 H new ATOM 0 HG13 VAL B 53 13.321 -4.041 -2.718 1.00 0.00 H new ATOM 0 HG21 VAL B 53 15.075 -6.571 -2.543 1.00 0.00 H new ATOM 0 HG22 VAL B 53 13.969 -6.055 -1.248 1.00 0.00 H new ATOM 0 HG23 VAL B 53 13.826 -7.688 -1.941 1.00 0.00 H new ATOM 2003 N VAL B 54 10.824 -8.460 -3.057 1.00 0.00 N ATOM 2004 CA VAL B 54 10.507 -9.837 -2.704 1.00 0.00 C ATOM 2005 C VAL B 54 11.773 -10.686 -2.614 1.00 0.00 C ATOM 2006 O VAL B 54 12.648 -10.603 -3.476 1.00 0.00 O ATOM 2007 CB VAL B 54 9.545 -10.462 -3.732 1.00 0.00 C ATOM 2008 CG1 VAL B 54 9.230 -11.906 -3.366 1.00 0.00 C ATOM 2009 CG2 VAL B 54 8.267 -9.642 -3.830 1.00 0.00 C ATOM 0 H VAL B 54 10.601 -8.211 -4.021 1.00 0.00 H new ATOM 0 HA VAL B 54 10.023 -9.818 -1.728 1.00 0.00 H new ATOM 0 HB VAL B 54 10.033 -10.458 -4.707 1.00 0.00 H new ATOM 0 HG11 VAL B 54 8.549 -12.328 -4.105 1.00 0.00 H new ATOM 0 HG12 VAL B 54 10.152 -12.487 -3.349 1.00 0.00 H new ATOM 0 HG13 VAL B 54 8.763 -11.938 -2.382 1.00 0.00 H new ATOM 0 HG21 VAL B 54 7.598 -10.097 -4.560 1.00 0.00 H new ATOM 0 HG22 VAL B 54 7.777 -9.614 -2.857 1.00 0.00 H new ATOM 0 HG23 VAL B 54 8.509 -8.626 -4.143 1.00 0.00 H new ATOM 2019 N LYS B 55 11.862 -11.502 -1.566 1.00 0.00 N ATOM 2020 CA LYS B 55 13.024 -12.363 -1.364 1.00 0.00 C ATOM 2021 C LYS B 55 12.599 -13.795 -1.051 1.00 0.00 C ATOM 2022 O LYS B 55 13.095 -14.745 -1.656 1.00 0.00 O ATOM 2023 CB LYS B 55 13.894 -11.818 -0.228 1.00 0.00 C ATOM 2024 CG LYS B 55 15.220 -12.545 -0.070 1.00 0.00 C ATOM 2025 CD LYS B 55 16.141 -12.292 -1.253 1.00 0.00 C ATOM 2026 CE LYS B 55 17.460 -13.033 -1.103 1.00 0.00 C ATOM 2027 NZ LYS B 55 18.179 -12.642 0.140 1.00 0.00 N ATOM 0 H LYS B 55 11.145 -11.585 -0.845 1.00 0.00 H new ATOM 0 HA LYS B 55 13.602 -12.371 -2.288 1.00 0.00 H new ATOM 0 HB2 LYS B 55 14.089 -10.761 -0.407 1.00 0.00 H new ATOM 0 HB3 LYS B 55 13.339 -11.886 0.708 1.00 0.00 H new ATOM 0 HG2 LYS B 55 15.708 -12.218 0.848 1.00 0.00 H new ATOM 0 HG3 LYS B 55 15.039 -13.615 0.029 1.00 0.00 H new ATOM 0 HD2 LYS B 55 15.648 -12.607 -2.173 1.00 0.00 H new ATOM 0 HD3 LYS B 55 16.332 -11.223 -1.344 1.00 0.00 H new ATOM 0 HE2 LYS B 55 17.274 -14.107 -1.092 1.00 0.00 H new ATOM 0 HE3 LYS B 55 18.092 -12.828 -1.967 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 19.162 -12.978 0.093 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 18.171 -11.606 0.234 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 17.707 -13.068 0.963 1.00 0.00 H new ATOM 2041 N GLU B 56 11.677 -13.942 -0.104 1.00 0.00 N ATOM 2042 CA GLU B 56 11.187 -15.260 0.288 1.00 0.00 C ATOM 2043 C GLU B 56 9.669 -15.257 0.429 1.00 0.00 C ATOM 2044 O GLU B 56 9.122 -14.668 1.363 1.00 0.00 O ATOM 2045 CB GLU B 56 11.834 -15.694 1.605 1.00 0.00 C ATOM 2046 CG GLU B 56 11.428 -17.089 2.053 1.00 0.00 C ATOM 2047 CD GLU B 56 11.819 -18.160 1.054 1.00 0.00 C ATOM 2048 OE1 GLU B 56 12.959 -18.662 1.138 1.00 0.00 O ATOM 2049 OE2 GLU B 56 10.984 -18.497 0.189 1.00 0.00 O ATOM 0 H GLU B 56 11.255 -13.166 0.406 1.00 0.00 H new ATOM 0 HA GLU B 56 11.458 -15.969 -0.494 1.00 0.00 H new ATOM 0 HB2 GLU B 56 12.918 -15.658 1.497 1.00 0.00 H new ATOM 0 HB3 GLU B 56 11.567 -14.980 2.384 1.00 0.00 H new ATOM 0 HG2 GLU B 56 11.893 -17.307 3.014 1.00 0.00 H new ATOM 0 HG3 GLU B 56 10.349 -17.117 2.207 1.00 0.00 H new ATOM 2056 N LEU B 57 8.992 -15.920 -0.503 1.00 0.00 N ATOM 2057 CA LEU B 57 7.537 -15.998 -0.482 1.00 0.00 C ATOM 2058 C LEU B 57 7.066 -16.994 0.570 1.00 0.00 C ATOM 2059 O LEU B 57 7.876 -17.626 1.249 1.00 0.00 O ATOM 2060 CB LEU B 57 6.997 -16.399 -1.862 1.00 0.00 C ATOM 2061 CG LEU B 57 7.092 -17.892 -2.199 1.00 0.00 C ATOM 2062 CD1 LEU B 57 6.356 -18.191 -3.496 1.00 0.00 C ATOM 2063 CD2 LEU B 57 8.545 -18.334 -2.299 1.00 0.00 C ATOM 0 H LEU B 57 9.429 -16.411 -1.283 1.00 0.00 H new ATOM 0 HA LEU B 57 7.150 -15.011 -0.227 1.00 0.00 H new ATOM 0 HB2 LEU B 57 5.952 -16.096 -1.926 1.00 0.00 H new ATOM 0 HB3 LEU B 57 7.539 -15.837 -2.623 1.00 0.00 H new ATOM 0 HG LEU B 57 6.620 -18.454 -1.393 1.00 0.00 H new ATOM 0 HD11 LEU B 57 6.433 -19.255 -3.721 1.00 0.00 H new ATOM 0 HD12 LEU B 57 5.306 -17.918 -3.390 1.00 0.00 H new ATOM 0 HD13 LEU B 57 6.801 -17.615 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU B 57 8.586 -19.396 -2.539 1.00 0.00 H new ATOM 0 HD22 LEU B 57 9.045 -17.765 -3.083 1.00 0.00 H new ATOM 0 HD23 LEU B 57 9.045 -18.157 -1.347 1.00 0.00 H new ATOM 2075 N LYS B 58 5.751 -17.131 0.700 1.00 0.00 N ATOM 2076 CA LYS B 58 5.170 -18.056 1.666 1.00 0.00 C ATOM 2077 C LYS B 58 4.115 -18.936 1.003 1.00 0.00 C ATOM 2078 O LYS B 58 4.005 -20.124 1.307 1.00 0.00 O ATOM 2079 CB LYS B 58 4.551 -17.286 2.833 1.00 0.00 C ATOM 2080 CG LYS B 58 3.939 -18.182 3.897 1.00 0.00 C ATOM 2081 CD LYS B 58 4.996 -19.024 4.595 1.00 0.00 C ATOM 2082 CE LYS B 58 4.381 -19.921 5.658 1.00 0.00 C ATOM 2083 NZ LYS B 58 5.407 -20.761 6.336 1.00 0.00 N ATOM 0 H LYS B 58 5.067 -16.613 0.148 1.00 0.00 H new ATOM 0 HA LYS B 58 5.966 -18.696 2.047 1.00 0.00 H new ATOM 0 HB2 LYS B 58 5.317 -16.662 3.293 1.00 0.00 H new ATOM 0 HB3 LYS B 58 3.782 -16.616 2.448 1.00 0.00 H new ATOM 0 HG2 LYS B 58 3.416 -17.570 4.632 1.00 0.00 H new ATOM 0 HG3 LYS B 58 3.196 -18.835 3.440 1.00 0.00 H new ATOM 0 HD2 LYS B 58 5.520 -19.635 3.860 1.00 0.00 H new ATOM 0 HD3 LYS B 58 5.739 -18.371 5.054 1.00 0.00 H new ATOM 0 HE2 LYS B 58 3.867 -19.307 6.398 1.00 0.00 H new ATOM 0 HE3 LYS B 58 3.630 -20.564 5.200 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 4.948 -21.358 7.053 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 5.880 -21.365 5.634 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 6.110 -20.147 6.795 1.00 0.00 H new ATOM 2097 N VAL B 59 3.341 -18.345 0.098 1.00 0.00 N ATOM 2098 CA VAL B 59 2.298 -19.075 -0.610 1.00 0.00 C ATOM 2099 C VAL B 59 2.540 -19.057 -2.116 1.00 0.00 C ATOM 2100 O VAL B 59 3.002 -18.058 -2.669 1.00 0.00 O ATOM 2101 CB VAL B 59 0.902 -18.493 -0.314 1.00 0.00 C ATOM 2102 CG1 VAL B 59 0.584 -18.595 1.169 1.00 0.00 C ATOM 2103 CG2 VAL B 59 0.811 -17.049 -0.786 1.00 0.00 C ATOM 0 H VAL B 59 3.417 -17.362 -0.162 1.00 0.00 H new ATOM 0 HA VAL B 59 2.334 -20.104 -0.253 1.00 0.00 H new ATOM 0 HB VAL B 59 0.164 -19.077 -0.863 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -0.406 -18.179 1.358 1.00 0.00 H new ATOM 0 HG12 VAL B 59 0.602 -19.641 1.474 1.00 0.00 H new ATOM 0 HG13 VAL B 59 1.327 -18.038 1.740 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -0.182 -16.657 -0.568 1.00 0.00 H new ATOM 0 HG22 VAL B 59 1.560 -16.449 -0.269 1.00 0.00 H new ATOM 0 HG23 VAL B 59 0.990 -17.005 -1.860 1.00 0.00 H new ATOM 2113 N ASN B 60 2.230 -20.169 -2.773 1.00 0.00 N ATOM 2114 CA ASN B 60 2.413 -20.281 -4.216 1.00 0.00 C ATOM 2115 C ASN B 60 1.110 -19.989 -4.951 1.00 0.00 C ATOM 2116 O ASN B 60 0.023 -20.219 -4.421 1.00 0.00 O ATOM 2117 CB ASN B 60 2.919 -21.681 -4.580 1.00 0.00 C ATOM 2118 CG ASN B 60 4.362 -21.913 -4.166 1.00 0.00 C ATOM 2119 OD1 ASN B 60 4.786 -21.264 -3.086 1.00 0.00 O flip ATOM 2120 ND2 ASN B 60 5.087 -22.670 -4.809 1.00 0.00 N flip ATOM 0 H ASN B 60 1.851 -21.006 -2.330 1.00 0.00 H new ATOM 0 HA ASN B 60 3.155 -19.544 -4.524 1.00 0.00 H new ATOM 0 HB2 ASN B 60 2.284 -22.427 -4.102 1.00 0.00 H new ATOM 0 HB3 ASN B 60 2.827 -21.827 -5.656 1.00 0.00 H new ATOM 0 HD21 ASN B 60 4.722 -23.149 -5.632 1.00 0.00 H new ATOM 0 HD22 ASN B 60 6.053 -22.819 -4.519 1.00 0.00 H new ATOM 2127 N VAL B 61 1.225 -19.478 -6.174 1.00 0.00 N ATOM 2128 CA VAL B 61 0.055 -19.154 -6.983 1.00 0.00 C ATOM 2129 C VAL B 61 -0.835 -20.378 -7.172 1.00 0.00 C ATOM 2130 O VAL B 61 -0.359 -21.451 -7.544 1.00 0.00 O ATOM 2131 CB VAL B 61 0.459 -18.607 -8.366 1.00 0.00 C ATOM 2132 CG1 VAL B 61 -0.769 -18.177 -9.154 1.00 0.00 C ATOM 2133 CG2 VAL B 61 1.436 -17.451 -8.218 1.00 0.00 C ATOM 0 H VAL B 61 2.117 -19.280 -6.626 1.00 0.00 H new ATOM 0 HA VAL B 61 -0.498 -18.383 -6.446 1.00 0.00 H new ATOM 0 HB VAL B 61 0.954 -19.405 -8.919 1.00 0.00 H new ATOM 0 HG11 VAL B 61 -0.461 -17.794 -10.127 1.00 0.00 H new ATOM 0 HG12 VAL B 61 -1.430 -19.033 -9.293 1.00 0.00 H new ATOM 0 HG13 VAL B 61 -1.297 -17.396 -8.607 1.00 0.00 H new ATOM 0 HG21 VAL B 61 1.710 -17.078 -9.205 1.00 0.00 H new ATOM 0 HG22 VAL B 61 0.969 -16.651 -7.644 1.00 0.00 H new ATOM 0 HG23 VAL B 61 2.331 -17.795 -7.699 1.00 0.00 H new ATOM 2143 N GLY B 62 -2.128 -20.208 -6.914 1.00 0.00 N ATOM 2144 CA GLY B 62 -3.063 -21.307 -7.059 1.00 0.00 C ATOM 2145 C GLY B 62 -3.397 -21.962 -5.733 1.00 0.00 C ATOM 2146 O GLY B 62 -4.317 -22.775 -5.649 1.00 0.00 O ATOM 0 H GLY B 62 -2.544 -19.329 -6.607 1.00 0.00 H new ATOM 0 HA2 GLY B 62 -3.980 -20.941 -7.521 1.00 0.00 H new ATOM 0 HA3 GLY B 62 -2.641 -22.052 -7.733 1.00 0.00 H new ATOM 2150 N ASP B 63 -2.646 -21.605 -4.696 1.00 0.00 N ATOM 2151 CA ASP B 63 -2.866 -22.161 -3.366 1.00 0.00 C ATOM 2152 C ASP B 63 -3.708 -21.216 -2.517 1.00 0.00 C ATOM 2153 O ASP B 63 -3.361 -20.049 -2.341 1.00 0.00 O ATOM 2154 CB ASP B 63 -1.528 -22.435 -2.677 1.00 0.00 C ATOM 2155 CG ASP B 63 -0.694 -23.456 -3.426 1.00 0.00 C ATOM 2156 OD1 ASP B 63 -0.837 -24.663 -3.142 1.00 0.00 O ATOM 2157 OD2 ASP B 63 0.101 -23.047 -4.298 1.00 0.00 O ATOM 0 H ASP B 63 -1.880 -20.934 -4.751 1.00 0.00 H new ATOM 0 HA ASP B 63 -3.407 -23.101 -3.475 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -0.968 -21.504 -2.592 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -1.710 -22.791 -1.663 1.00 0.00 H new ATOM 2162 N LYS B 64 -4.814 -21.733 -1.991 1.00 0.00 N ATOM 2163 CA LYS B 64 -5.717 -20.939 -1.165 1.00 0.00 C ATOM 2164 C LYS B 64 -4.992 -20.312 0.023 1.00 0.00 C ATOM 2165 O LYS B 64 -3.815 -20.580 0.263 1.00 0.00 O ATOM 2166 CB LYS B 64 -6.875 -21.806 -0.667 1.00 0.00 C ATOM 2167 CG LYS B 64 -6.430 -23.004 0.157 1.00 0.00 C ATOM 2168 CD LYS B 64 -7.613 -23.859 0.585 1.00 0.00 C ATOM 2169 CE LYS B 64 -8.514 -23.121 1.562 1.00 0.00 C ATOM 2170 NZ LYS B 64 -9.646 -23.969 2.024 1.00 0.00 N ATOM 0 H LYS B 64 -5.107 -22.701 -2.123 1.00 0.00 H new ATOM 0 HA LYS B 64 -6.106 -20.131 -1.785 1.00 0.00 H new ATOM 0 HB2 LYS B 64 -7.545 -21.191 -0.066 1.00 0.00 H new ATOM 0 HB3 LYS B 64 -7.448 -22.158 -1.524 1.00 0.00 H new ATOM 0 HG2 LYS B 64 -5.735 -23.609 -0.425 1.00 0.00 H new ATOM 0 HG3 LYS B 64 -5.891 -22.659 1.040 1.00 0.00 H new ATOM 0 HD2 LYS B 64 -8.189 -24.150 -0.294 1.00 0.00 H new ATOM 0 HD3 LYS B 64 -7.250 -24.778 1.046 1.00 0.00 H new ATOM 0 HE2 LYS B 64 -7.928 -22.798 2.422 1.00 0.00 H new ATOM 0 HE3 LYS B 64 -8.905 -22.222 1.086 1.00 0.00 H new ATOM 0 HZ1 LYS B 64 -10.318 -23.387 2.565 1.00 0.00 H new ATOM 0 HZ2 LYS B 64 -10.130 -24.381 1.201 1.00 0.00 H new ATOM 0 HZ3 LYS B 64 -9.283 -24.732 2.630 1.00 0.00 H new ATOM 2184 N VAL B 65 -5.717 -19.481 0.766 1.00 0.00 N ATOM 2185 CA VAL B 65 -5.165 -18.799 1.930 1.00 0.00 C ATOM 2186 C VAL B 65 -6.166 -18.818 3.079 1.00 0.00 C ATOM 2187 O VAL B 65 -7.347 -19.104 2.878 1.00 0.00 O ATOM 2188 CB VAL B 65 -4.801 -17.335 1.597 1.00 0.00 C ATOM 2189 CG1 VAL B 65 -6.038 -16.448 1.624 1.00 0.00 C ATOM 2190 CG2 VAL B 65 -3.739 -16.806 2.547 1.00 0.00 C ATOM 0 H VAL B 65 -6.696 -19.263 0.580 1.00 0.00 H new ATOM 0 HA VAL B 65 -4.259 -19.328 2.225 1.00 0.00 H new ATOM 0 HB VAL B 65 -4.390 -17.315 0.588 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -5.756 -15.422 1.386 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -6.758 -16.806 0.888 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -6.487 -16.480 2.617 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -3.502 -15.774 2.289 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -4.113 -16.848 3.570 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -2.840 -17.416 2.464 1.00 0.00 H new ATOM 2200 N LYS B 66 -5.694 -18.512 4.282 1.00 0.00 N ATOM 2201 CA LYS B 66 -6.562 -18.491 5.452 1.00 0.00 C ATOM 2202 C LYS B 66 -6.157 -17.380 6.413 1.00 0.00 C ATOM 2203 O LYS B 66 -4.995 -16.978 6.461 1.00 0.00 O ATOM 2204 CB LYS B 66 -6.527 -19.843 6.162 1.00 0.00 C ATOM 2205 CG LYS B 66 -7.113 -20.974 5.334 1.00 0.00 C ATOM 2206 CD LYS B 66 -7.109 -22.286 6.102 1.00 0.00 C ATOM 2207 CE LYS B 66 -7.726 -23.413 5.289 1.00 0.00 C ATOM 2208 NZ LYS B 66 -9.153 -23.143 4.959 1.00 0.00 N ATOM 0 H LYS B 66 -4.720 -18.276 4.472 1.00 0.00 H new ATOM 0 HA LYS B 66 -7.580 -18.295 5.115 1.00 0.00 H new ATOM 0 HB2 LYS B 66 -5.495 -20.085 6.416 1.00 0.00 H new ATOM 0 HB3 LYS B 66 -7.077 -19.767 7.100 1.00 0.00 H new ATOM 0 HG2 LYS B 66 -8.134 -20.724 5.045 1.00 0.00 H new ATOM 0 HG3 LYS B 66 -6.540 -21.088 4.414 1.00 0.00 H new ATOM 0 HD2 LYS B 66 -6.085 -22.548 6.370 1.00 0.00 H new ATOM 0 HD3 LYS B 66 -7.661 -22.164 7.034 1.00 0.00 H new ATOM 0 HE2 LYS B 66 -7.160 -23.548 4.368 1.00 0.00 H new ATOM 0 HE3 LYS B 66 -7.653 -24.346 5.848 1.00 0.00 H new ATOM 0 HZ1 LYS B 66 -9.602 -24.017 4.619 1.00 0.00 H new ATOM 0 HZ2 LYS B 66 -9.648 -22.807 5.810 1.00 0.00 H new ATOM 0 HZ3 LYS B 66 -9.206 -22.416 4.218 1.00 0.00 H new ATOM 2222 N THR B 67 -7.127 -16.890 7.179 1.00 0.00 N ATOM 2223 CA THR B 67 -6.881 -15.819 8.138 1.00 0.00 C ATOM 2224 C THR B 67 -5.838 -16.230 9.173 1.00 0.00 C ATOM 2225 O THR B 67 -5.947 -17.290 9.791 1.00 0.00 O ATOM 2226 CB THR B 67 -8.175 -15.407 8.864 1.00 0.00 C ATOM 2227 OG1 THR B 67 -8.696 -16.516 9.606 1.00 0.00 O ATOM 2228 CG2 THR B 67 -9.221 -14.920 7.873 1.00 0.00 C ATOM 0 H THR B 67 -8.092 -17.219 7.154 1.00 0.00 H new ATOM 0 HA THR B 67 -6.505 -14.969 7.569 1.00 0.00 H new ATOM 0 HB THR B 67 -7.937 -14.592 9.547 1.00 0.00 H new ATOM 0 HG1 THR B 67 -7.975 -17.155 9.789 1.00 0.00 H new ATOM 0 HG21 THR B 67 -10.126 -14.635 8.410 1.00 0.00 H new ATOM 0 HG22 THR B 67 -8.834 -14.058 7.330 1.00 0.00 H new ATOM 0 HG23 THR B 67 -9.454 -15.718 7.168 1.00 0.00 H new ATOM 2236 N GLY B 68 -4.831 -15.383 9.355 1.00 0.00 N ATOM 2237 CA GLY B 68 -3.781 -15.669 10.315 1.00 0.00 C ATOM 2238 C GLY B 68 -2.563 -16.306 9.675 1.00 0.00 C ATOM 2239 O GLY B 68 -1.539 -16.500 10.332 1.00 0.00 O ATOM 0 H GLY B 68 -4.723 -14.501 8.854 1.00 0.00 H new ATOM 0 HA2 GLY B 68 -3.485 -14.744 10.810 1.00 0.00 H new ATOM 0 HA3 GLY B 68 -4.170 -16.333 11.087 1.00 0.00 H new ATOM 2243 N SER B 69 -2.672 -16.632 8.391 1.00 0.00 N ATOM 2244 CA SER B 69 -1.568 -17.249 7.664 1.00 0.00 C ATOM 2245 C SER B 69 -0.802 -16.213 6.847 1.00 0.00 C ATOM 2246 O SER B 69 -1.398 -15.341 6.216 1.00 0.00 O ATOM 2247 CB SER B 69 -2.088 -18.355 6.744 1.00 0.00 C ATOM 2248 OG SER B 69 -1.025 -18.980 6.046 1.00 0.00 O ATOM 0 H SER B 69 -3.512 -16.480 7.833 1.00 0.00 H new ATOM 0 HA SER B 69 -0.887 -17.683 8.396 1.00 0.00 H new ATOM 0 HB2 SER B 69 -2.627 -19.098 7.332 1.00 0.00 H new ATOM 0 HB3 SER B 69 -2.798 -17.936 6.031 1.00 0.00 H new ATOM 0 HG SER B 69 -1.384 -19.684 5.466 1.00 0.00 H new ATOM 2254 N LEU B 70 0.523 -16.317 6.866 1.00 0.00 N ATOM 2255 CA LEU B 70 1.377 -15.392 6.128 1.00 0.00 C ATOM 2256 C LEU B 70 1.219 -15.590 4.625 1.00 0.00 C ATOM 2257 O LEU B 70 0.741 -16.632 4.175 1.00 0.00 O ATOM 2258 CB LEU B 70 2.841 -15.588 6.528 1.00 0.00 C ATOM 2259 CG LEU B 70 3.148 -15.349 8.008 1.00 0.00 C ATOM 2260 CD1 LEU B 70 4.575 -15.765 8.330 1.00 0.00 C ATOM 2261 CD2 LEU B 70 2.924 -13.889 8.369 1.00 0.00 C ATOM 0 H LEU B 70 1.030 -17.034 7.385 1.00 0.00 H new ATOM 0 HA LEU B 70 1.072 -14.376 6.378 1.00 0.00 H new ATOM 0 HB2 LEU B 70 3.139 -16.605 6.271 1.00 0.00 H new ATOM 0 HB3 LEU B 70 3.457 -14.915 5.932 1.00 0.00 H new ATOM 0 HG LEU B 70 2.469 -15.959 8.604 1.00 0.00 H new ATOM 0 HD11 LEU B 70 4.776 -15.588 9.387 1.00 0.00 H new ATOM 0 HD12 LEU B 70 4.704 -16.824 8.109 1.00 0.00 H new ATOM 0 HD13 LEU B 70 5.269 -15.181 7.726 1.00 0.00 H new ATOM 0 HD21 LEU B 70 3.147 -13.737 9.425 1.00 0.00 H new ATOM 0 HD22 LEU B 70 3.579 -13.260 7.766 1.00 0.00 H new ATOM 0 HD23 LEU B 70 1.885 -13.622 8.175 1.00 0.00 H new ATOM 2273 N ILE B 71 1.623 -14.586 3.854 1.00 0.00 N ATOM 2274 CA ILE B 71 1.527 -14.653 2.400 1.00 0.00 C ATOM 2275 C ILE B 71 2.861 -14.327 1.736 1.00 0.00 C ATOM 2276 O ILE B 71 3.218 -14.925 0.721 1.00 0.00 O ATOM 2277 CB ILE B 71 0.449 -13.693 1.861 1.00 0.00 C ATOM 2278 CG1 ILE B 71 0.688 -12.273 2.381 1.00 0.00 C ATOM 2279 CG2 ILE B 71 -0.937 -14.183 2.253 1.00 0.00 C ATOM 2280 CD1 ILE B 71 -0.239 -11.241 1.776 1.00 0.00 C ATOM 0 H ILE B 71 2.020 -13.717 4.211 1.00 0.00 H new ATOM 0 HA ILE B 71 1.248 -15.678 2.154 1.00 0.00 H new ATOM 0 HB ILE B 71 0.512 -13.673 0.773 1.00 0.00 H new ATOM 0 HG12 ILE B 71 0.567 -12.267 3.464 1.00 0.00 H new ATOM 0 HG13 ILE B 71 1.720 -11.988 2.174 1.00 0.00 H new ATOM 0 HG21 ILE B 71 -1.689 -13.495 1.866 1.00 0.00 H new ATOM 0 HG22 ILE B 71 -1.104 -15.176 1.835 1.00 0.00 H new ATOM 0 HG23 ILE B 71 -1.013 -14.229 3.339 1.00 0.00 H new ATOM 0 HD11 ILE B 71 -0.011 -10.259 2.191 1.00 0.00 H new ATOM 0 HD12 ILE B 71 -0.102 -11.218 0.695 1.00 0.00 H new ATOM 0 HD13 ILE B 71 -1.272 -11.501 2.005 1.00 0.00 H new ATOM 2292 N MET B 72 3.596 -13.380 2.313 1.00 0.00 N ATOM 2293 CA MET B 72 4.887 -12.980 1.764 1.00 0.00 C ATOM 2294 C MET B 72 5.665 -12.119 2.754 1.00 0.00 C ATOM 2295 O MET B 72 5.083 -11.481 3.631 1.00 0.00 O ATOM 2296 CB MET B 72 4.689 -12.210 0.456 1.00 0.00 C ATOM 2297 CG MET B 72 5.988 -11.880 -0.261 1.00 0.00 C ATOM 2298 SD MET B 72 5.725 -10.986 -1.805 1.00 0.00 S ATOM 2299 CE MET B 72 4.825 -12.209 -2.756 1.00 0.00 C ATOM 0 H MET B 72 3.321 -12.878 3.157 1.00 0.00 H new ATOM 0 HA MET B 72 5.462 -13.885 1.569 1.00 0.00 H new ATOM 0 HB2 MET B 72 4.056 -12.798 -0.209 1.00 0.00 H new ATOM 0 HB3 MET B 72 4.155 -11.283 0.667 1.00 0.00 H new ATOM 0 HG2 MET B 72 6.619 -11.282 0.397 1.00 0.00 H new ATOM 0 HG3 MET B 72 6.528 -12.804 -0.469 1.00 0.00 H new ATOM 0 HE1 MET B 72 4.911 -11.979 -3.818 1.00 0.00 H new ATOM 0 HE2 MET B 72 5.242 -13.198 -2.564 1.00 0.00 H new ATOM 0 HE3 MET B 72 3.775 -12.195 -2.465 1.00 0.00 H new ATOM 2309 N ILE B 73 6.987 -12.113 2.606 1.00 0.00 N ATOM 2310 CA ILE B 73 7.855 -11.323 3.471 1.00 0.00 C ATOM 2311 C ILE B 73 8.751 -10.419 2.631 1.00 0.00 C ATOM 2312 O ILE B 73 9.302 -10.849 1.617 1.00 0.00 O ATOM 2313 CB ILE B 73 8.730 -12.221 4.367 1.00 0.00 C ATOM 2314 CG1 ILE B 73 7.864 -13.267 5.074 1.00 0.00 C ATOM 2315 CG2 ILE B 73 9.488 -11.374 5.382 1.00 0.00 C ATOM 2316 CD1 ILE B 73 8.653 -14.251 5.913 1.00 0.00 C ATOM 0 H ILE B 73 7.481 -12.649 1.892 1.00 0.00 H new ATOM 0 HA ILE B 73 7.216 -10.716 4.113 1.00 0.00 H new ATOM 0 HB ILE B 73 9.457 -12.741 3.743 1.00 0.00 H new ATOM 0 HG12 ILE B 73 7.143 -12.756 5.712 1.00 0.00 H new ATOM 0 HG13 ILE B 73 7.293 -13.818 4.326 1.00 0.00 H new ATOM 0 HG21 ILE B 73 10.102 -12.020 6.009 1.00 0.00 H new ATOM 0 HG22 ILE B 73 10.127 -10.663 4.858 1.00 0.00 H new ATOM 0 HG23 ILE B 73 8.778 -10.832 6.006 1.00 0.00 H new ATOM 0 HD11 ILE B 73 7.970 -14.959 6.381 1.00 0.00 H new ATOM 0 HD12 ILE B 73 9.355 -14.790 5.277 1.00 0.00 H new ATOM 0 HD13 ILE B 73 9.203 -13.712 6.685 1.00 0.00 H new ATOM 2328 N PHE B 74 8.898 -9.168 3.054 1.00 0.00 N ATOM 2329 CA PHE B 74 9.715 -8.211 2.320 1.00 0.00 C ATOM 2330 C PHE B 74 11.004 -7.893 3.065 1.00 0.00 C ATOM 2331 O PHE B 74 10.978 -7.472 4.221 1.00 0.00 O ATOM 2332 CB PHE B 74 8.929 -6.924 2.069 1.00 0.00 C ATOM 2333 CG PHE B 74 7.717 -7.119 1.205 1.00 0.00 C ATOM 2334 CD1 PHE B 74 7.839 -7.206 -0.172 1.00 0.00 C ATOM 2335 CD2 PHE B 74 6.454 -7.211 1.770 1.00 0.00 C ATOM 2336 CE1 PHE B 74 6.725 -7.380 -0.970 1.00 0.00 C ATOM 2337 CE2 PHE B 74 5.337 -7.386 0.977 1.00 0.00 C ATOM 2338 CZ PHE B 74 5.472 -7.470 -0.395 1.00 0.00 C ATOM 0 H PHE B 74 8.464 -8.795 3.898 1.00 0.00 H new ATOM 0 HA PHE B 74 9.978 -8.665 1.365 1.00 0.00 H new ATOM 0 HB2 PHE B 74 8.619 -6.505 3.026 1.00 0.00 H new ATOM 0 HB3 PHE B 74 9.586 -6.193 1.599 1.00 0.00 H new ATOM 0 HD1 PHE B 74 8.816 -7.137 -0.627 1.00 0.00 H new ATOM 0 HD2 PHE B 74 6.343 -7.145 2.842 1.00 0.00 H new ATOM 0 HE1 PHE B 74 6.833 -7.446 -2.043 1.00 0.00 H new ATOM 0 HE2 PHE B 74 4.359 -7.457 1.429 1.00 0.00 H new ATOM 0 HZ PHE B 74 4.600 -7.606 -1.017 1.00 0.00 H new ATOM 2348 N GLU B 75 12.131 -8.099 2.392 1.00 0.00 N ATOM 2349 CA GLU B 75 13.434 -7.824 2.982 1.00 0.00 C ATOM 2350 C GLU B 75 13.855 -6.388 2.685 1.00 0.00 C ATOM 2351 O GLU B 75 14.452 -6.106 1.646 1.00 0.00 O ATOM 2352 CB GLU B 75 14.479 -8.803 2.444 1.00 0.00 C ATOM 2353 CG GLU B 75 15.857 -8.625 3.060 1.00 0.00 C ATOM 2354 CD GLU B 75 16.870 -9.609 2.509 1.00 0.00 C ATOM 2355 OE1 GLU B 75 16.963 -10.731 3.050 1.00 0.00 O ATOM 2356 OE2 GLU B 75 17.569 -9.258 1.536 1.00 0.00 O ATOM 0 H GLU B 75 12.167 -8.456 1.437 1.00 0.00 H new ATOM 0 HA GLU B 75 13.361 -7.952 4.062 1.00 0.00 H new ATOM 0 HB2 GLU B 75 14.138 -9.822 2.627 1.00 0.00 H new ATOM 0 HB3 GLU B 75 14.555 -8.682 1.363 1.00 0.00 H new ATOM 0 HG2 GLU B 75 16.205 -7.609 2.876 1.00 0.00 H new ATOM 0 HG3 GLU B 75 15.787 -8.747 4.141 1.00 0.00 H new ATOM 2363 N VAL B 76 13.533 -5.484 3.605 1.00 0.00 N ATOM 2364 CA VAL B 76 13.867 -4.074 3.445 1.00 0.00 C ATOM 2365 C VAL B 76 15.098 -3.704 4.268 1.00 0.00 C ATOM 2366 O VAL B 76 15.396 -4.342 5.277 1.00 0.00 O ATOM 2367 CB VAL B 76 12.681 -3.175 3.854 1.00 0.00 C ATOM 2368 CG1 VAL B 76 12.389 -3.312 5.341 1.00 0.00 C ATOM 2369 CG2 VAL B 76 12.949 -1.724 3.485 1.00 0.00 C ATOM 0 H VAL B 76 13.040 -5.704 4.471 1.00 0.00 H new ATOM 0 HA VAL B 76 14.087 -3.910 2.390 1.00 0.00 H new ATOM 0 HB VAL B 76 11.800 -3.505 3.304 1.00 0.00 H new ATOM 0 HG11 VAL B 76 11.550 -2.670 5.608 1.00 0.00 H new ATOM 0 HG12 VAL B 76 12.140 -4.348 5.569 1.00 0.00 H new ATOM 0 HG13 VAL B 76 13.268 -3.016 5.913 1.00 0.00 H new ATOM 0 HG21 VAL B 76 12.099 -1.110 3.783 1.00 0.00 H new ATOM 0 HG22 VAL B 76 13.845 -1.377 3.999 1.00 0.00 H new ATOM 0 HG23 VAL B 76 13.095 -1.643 2.408 1.00 0.00 H new