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 Set 1.1: A 72 MET CE :methyl -115:sc= 0 (180deg=-0.252) USER MOD Set 1.2: B 72 MET CE :methyl -116:sc= 0 (180deg=-0.411) USER MOD Single : A 43 SER OG : rot -30:sc= 0.0563 USER MOD Single : A 44 MET CE :methyl 161:sc= -0.133 (180deg=-0.708) USER MOD Single : A 55 LYS NZ :NH3+ 162:sc= -0.0669 (180deg=-0.396) USER MOD Single : A 58 LYS NZ :NH3+ 168:sc=-3.91e-05 (180deg=-0.163) USER MOD Single : A 60 ASN : amide:sc= -0.678 K(o=-0.68,f=-0.013) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -167:sc= -0.0472 (180deg=-0.31) USER MOD Single : A 67 THR OG1 : rot 31:sc= 0.143 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : B 43 SER OG : rot -26:sc= 0.062 USER MOD Single : B 44 MET CE :methyl 162:sc= -0.122 (180deg=-0.651) USER MOD Single : B 55 LYS NZ :NH3+ 164:sc= -0.081 (180deg=-0.471) USER MOD Single : B 58 LYS NZ :NH3+ 167:sc= -0.0406 (180deg=-0.202) USER MOD Single : B 60 ASN : amide:sc= -0.679 K(o=-0.68,f=-0.01) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 LYS NZ :NH3+ -168:sc=-0.00938 (180deg=-0.209) USER MOD Single : B 67 THR OG1 : rot 22:sc= 0.0826 USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 581 N SER A 43 12.569 -5.046 7.751 1.00 0.00 N ATOM 582 CA SER A 43 11.819 -6.220 7.316 1.00 0.00 C ATOM 583 C SER A 43 10.605 -6.443 8.210 1.00 0.00 C ATOM 584 O SER A 43 10.652 -6.175 9.411 1.00 0.00 O ATOM 585 CB SER A 43 12.715 -7.460 7.344 1.00 0.00 C ATOM 586 OG SER A 43 13.192 -7.716 8.654 1.00 0.00 O ATOM 0 HA SER A 43 11.477 -6.048 6.296 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.157 -8.324 6.982 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.558 -7.318 6.668 1.00 0.00 H new ATOM 0 HG SER A 43 13.277 -6.870 9.142 1.00 0.00 H new ATOM 592 N MET A 44 9.518 -6.936 7.623 1.00 0.00 N ATOM 593 CA MET A 44 8.298 -7.187 8.381 1.00 0.00 C ATOM 594 C MET A 44 7.371 -8.141 7.633 1.00 0.00 C ATOM 595 O MET A 44 6.928 -7.850 6.522 1.00 0.00 O ATOM 596 CB MET A 44 7.572 -5.869 8.665 1.00 0.00 C ATOM 597 CG MET A 44 6.323 -6.028 9.517 1.00 0.00 C ATOM 598 SD MET A 44 6.676 -6.705 11.151 1.00 0.00 S ATOM 599 CE MET A 44 7.795 -5.467 11.800 1.00 0.00 C ATOM 0 H MET A 44 9.458 -7.168 6.632 1.00 0.00 H new ATOM 0 HA MET A 44 8.578 -7.654 9.325 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.259 -5.188 9.167 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.298 -5.405 7.718 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.838 -5.058 9.627 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.618 -6.681 9.002 1.00 0.00 H new ATOM 0 HE1 MET A 44 7.838 -5.549 12.886 1.00 0.00 H new ATOM 0 HE2 MET A 44 8.791 -5.623 11.385 1.00 0.00 H new ATOM 0 HE3 MET A 44 7.438 -4.474 11.525 1.00 0.00 H new ATOM 609 N GLU A 45 7.083 -9.280 8.254 1.00 0.00 N ATOM 610 CA GLU A 45 6.202 -10.278 7.661 1.00 0.00 C ATOM 611 C GLU A 45 4.758 -9.786 7.655 1.00 0.00 C ATOM 612 O GLU A 45 4.305 -9.156 8.611 1.00 0.00 O ATOM 613 CB GLU A 45 6.304 -11.596 8.432 1.00 0.00 C ATOM 614 CG GLU A 45 5.993 -11.459 9.914 1.00 0.00 C ATOM 615 CD GLU A 45 6.166 -12.762 10.671 1.00 0.00 C ATOM 616 OE1 GLU A 45 5.199 -13.551 10.724 1.00 0.00 O ATOM 617 OE2 GLU A 45 7.269 -12.994 11.210 1.00 0.00 O ATOM 0 H GLU A 45 7.449 -9.535 9.171 1.00 0.00 H new ATOM 0 HA GLU A 45 6.515 -10.444 6.630 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.619 -12.320 7.991 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.310 -11.998 8.316 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.645 -10.701 10.349 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.969 -11.106 10.035 1.00 0.00 H new ATOM 624 N VAL A 46 4.041 -10.075 6.575 1.00 0.00 N ATOM 625 CA VAL A 46 2.649 -9.655 6.449 1.00 0.00 C ATOM 626 C VAL A 46 1.720 -10.856 6.262 1.00 0.00 C ATOM 627 O VAL A 46 2.065 -11.810 5.567 1.00 0.00 O ATOM 628 CB VAL A 46 2.464 -8.685 5.267 1.00 0.00 C ATOM 629 CG1 VAL A 46 3.264 -7.412 5.494 1.00 0.00 C ATOM 630 CG2 VAL A 46 2.868 -9.349 3.959 1.00 0.00 C ATOM 0 H VAL A 46 4.399 -10.597 5.775 1.00 0.00 H new ATOM 0 HA VAL A 46 2.388 -9.144 7.376 1.00 0.00 H new ATOM 0 HB VAL A 46 1.409 -8.420 5.201 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.122 -6.738 4.649 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.923 -6.926 6.408 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.322 -7.659 5.588 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.730 -8.647 3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.915 -9.646 4.010 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.249 -10.230 3.792 1.00 0.00 H new ATOM 640 N PRO A 47 0.526 -10.825 6.886 1.00 0.00 N ATOM 641 CA PRO A 47 -0.452 -11.895 6.790 1.00 0.00 C ATOM 642 C PRO A 47 -1.583 -11.570 5.817 1.00 0.00 C ATOM 643 O PRO A 47 -1.690 -10.444 5.329 1.00 0.00 O ATOM 644 CB PRO A 47 -0.986 -11.936 8.219 1.00 0.00 C ATOM 645 CG PRO A 47 -0.935 -10.510 8.688 1.00 0.00 C ATOM 646 CD PRO A 47 0.041 -9.773 7.790 1.00 0.00 C ATOM 0 HA PRO A 47 -0.029 -12.829 6.420 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.003 -12.327 8.250 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.377 -12.582 8.851 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -1.923 -10.053 8.637 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.613 -10.459 9.728 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -0.446 -8.965 7.243 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.855 -9.326 8.361 1.00 0.00 H new ATOM 654 N ALA A 48 -2.423 -12.562 5.538 1.00 0.00 N ATOM 655 CA ALA A 48 -3.548 -12.378 4.627 1.00 0.00 C ATOM 656 C ALA A 48 -4.746 -11.774 5.360 1.00 0.00 C ATOM 657 O ALA A 48 -5.088 -12.212 6.459 1.00 0.00 O ATOM 658 CB ALA A 48 -3.928 -13.703 3.984 1.00 0.00 C ATOM 0 H ALA A 48 -2.346 -13.501 5.929 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.246 -11.684 3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.769 -13.551 3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.078 -14.093 3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.211 -14.416 4.759 1.00 0.00 H new ATOM 664 N PRO A 49 -5.404 -10.759 4.764 1.00 0.00 N ATOM 665 CA PRO A 49 -6.564 -10.105 5.380 1.00 0.00 C ATOM 666 C PRO A 49 -7.744 -11.055 5.554 1.00 0.00 C ATOM 667 O PRO A 49 -8.292 -11.184 6.649 1.00 0.00 O ATOM 668 CB PRO A 49 -6.920 -8.986 4.392 1.00 0.00 C ATOM 669 CG PRO A 49 -6.319 -9.409 3.097 1.00 0.00 C ATOM 670 CD PRO A 49 -5.074 -10.172 3.451 1.00 0.00 C ATOM 0 HA PRO A 49 -6.336 -9.746 6.384 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.000 -8.865 4.305 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.517 -8.028 4.720 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.011 -10.032 2.530 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.084 -8.545 2.475 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.848 -10.940 2.711 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.203 -9.519 3.509 1.00 0.00 H new ATOM 678 N PHE A 50 -8.130 -11.719 4.469 1.00 0.00 N ATOM 679 CA PHE A 50 -9.248 -12.658 4.505 1.00 0.00 C ATOM 680 C PHE A 50 -8.957 -13.884 3.646 1.00 0.00 C ATOM 681 O PHE A 50 -8.203 -13.810 2.675 1.00 0.00 O ATOM 682 CB PHE A 50 -10.533 -11.974 4.026 1.00 0.00 C ATOM 683 CG PHE A 50 -10.527 -11.627 2.562 1.00 0.00 C ATOM 684 CD1 PHE A 50 -9.635 -10.693 2.059 1.00 0.00 C ATOM 685 CD2 PHE A 50 -11.419 -12.234 1.690 1.00 0.00 C ATOM 686 CE1 PHE A 50 -9.629 -10.374 0.715 1.00 0.00 C ATOM 687 CE2 PHE A 50 -11.417 -11.917 0.345 1.00 0.00 C ATOM 688 CZ PHE A 50 -10.522 -10.986 -0.143 1.00 0.00 C ATOM 0 H PHE A 50 -7.687 -11.625 3.555 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.383 -12.985 5.536 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -11.380 -12.629 4.231 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.686 -11.063 4.605 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.937 -10.209 2.726 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.122 -12.962 2.066 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -8.927 -9.647 0.335 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -12.115 -12.397 -0.324 1.00 0.00 H new ATOM 0 HZ PHE A 50 -10.520 -10.737 -1.194 1.00 0.00 H new ATOM 698 N ALA A 51 -9.558 -15.013 4.012 1.00 0.00 N ATOM 699 CA ALA A 51 -9.366 -16.257 3.275 1.00 0.00 C ATOM 700 C ALA A 51 -9.869 -16.125 1.841 1.00 0.00 C ATOM 701 O ALA A 51 -10.609 -15.196 1.517 1.00 0.00 O ATOM 702 CB ALA A 51 -10.075 -17.402 3.983 1.00 0.00 C ATOM 0 H ALA A 51 -10.182 -15.091 4.815 1.00 0.00 H new ATOM 0 HA ALA A 51 -8.298 -16.472 3.240 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -9.924 -18.325 3.423 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.668 -17.516 4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.142 -17.186 4.046 1.00 0.00 H new ATOM 708 N GLY A 52 -9.468 -17.061 0.986 1.00 0.00 N ATOM 709 CA GLY A 52 -9.891 -17.020 -0.404 1.00 0.00 C ATOM 710 C GLY A 52 -9.035 -17.885 -1.306 1.00 0.00 C ATOM 711 O GLY A 52 -7.959 -18.330 -0.913 1.00 0.00 O ATOM 0 H GLY A 52 -8.861 -17.844 1.228 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.928 -17.347 -0.473 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.858 -15.990 -0.759 1.00 0.00 H new ATOM 715 N VAL A 53 -9.521 -18.123 -2.521 1.00 0.00 N ATOM 716 CA VAL A 53 -8.796 -18.939 -3.487 1.00 0.00 C ATOM 717 C VAL A 53 -8.080 -18.066 -4.511 1.00 0.00 C ATOM 718 O VAL A 53 -8.674 -17.155 -5.089 1.00 0.00 O ATOM 719 CB VAL A 53 -9.742 -19.905 -4.227 1.00 0.00 C ATOM 720 CG1 VAL A 53 -8.950 -20.843 -5.125 1.00 0.00 C ATOM 721 CG2 VAL A 53 -10.587 -20.691 -3.236 1.00 0.00 C ATOM 0 H VAL A 53 -10.413 -17.762 -2.859 1.00 0.00 H new ATOM 0 HA VAL A 53 -8.062 -19.518 -2.927 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.413 -19.318 -4.854 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.634 -21.518 -5.640 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.394 -20.260 -5.860 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.254 -21.424 -4.520 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.248 -21.367 -3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.936 -21.268 -2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -11.184 -20.001 -2.639 1.00 0.00 H new ATOM 731 N VAL A 54 -6.799 -18.347 -4.731 1.00 0.00 N ATOM 732 CA VAL A 54 -6.005 -17.588 -5.689 1.00 0.00 C ATOM 733 C VAL A 54 -6.421 -17.911 -7.120 1.00 0.00 C ATOM 734 O VAL A 54 -6.172 -19.009 -7.617 1.00 0.00 O ATOM 735 CB VAL A 54 -4.497 -17.864 -5.520 1.00 0.00 C ATOM 736 CG1 VAL A 54 -3.703 -17.282 -6.682 1.00 0.00 C ATOM 737 CG2 VAL A 54 -3.998 -17.298 -4.202 1.00 0.00 C ATOM 0 H VAL A 54 -6.290 -19.094 -4.259 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.190 -16.532 -5.490 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.349 -18.944 -5.515 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.643 -17.490 -6.539 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.039 -17.735 -7.615 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.858 -16.204 -6.725 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.932 -17.502 -4.099 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.165 -16.221 -4.182 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.538 -17.765 -3.378 1.00 0.00 H new ATOM 747 N LYS A 55 -7.058 -16.945 -7.774 1.00 0.00 N ATOM 748 CA LYS A 55 -7.507 -17.122 -9.149 1.00 0.00 C ATOM 749 C LYS A 55 -6.573 -16.408 -10.121 1.00 0.00 C ATOM 750 O LYS A 55 -6.367 -16.865 -11.246 1.00 0.00 O ATOM 751 CB LYS A 55 -8.933 -16.595 -9.314 1.00 0.00 C ATOM 752 CG LYS A 55 -9.948 -17.299 -8.427 1.00 0.00 C ATOM 753 CD LYS A 55 -11.359 -16.784 -8.672 1.00 0.00 C ATOM 754 CE LYS A 55 -11.861 -17.167 -10.055 1.00 0.00 C ATOM 755 NZ LYS A 55 -11.899 -18.644 -10.243 1.00 0.00 N ATOM 0 H LYS A 55 -7.274 -16.032 -7.374 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.493 -18.188 -9.376 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.945 -15.528 -9.090 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.234 -16.706 -10.356 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.914 -18.372 -8.615 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.682 -17.150 -7.380 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.031 -17.188 -7.915 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.375 -15.699 -8.566 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.859 -16.756 -10.205 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.216 -16.721 -10.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.514 -18.876 -11.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.938 -18.995 -10.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.271 -19.094 -9.383 1.00 0.00 H new ATOM 769 N GLU A 56 -6.008 -15.287 -9.680 1.00 0.00 N ATOM 770 CA GLU A 56 -5.096 -14.513 -10.515 1.00 0.00 C ATOM 771 C GLU A 56 -4.320 -13.492 -9.689 1.00 0.00 C ATOM 772 O GLU A 56 -4.886 -12.804 -8.839 1.00 0.00 O ATOM 773 CB GLU A 56 -5.867 -13.802 -11.629 1.00 0.00 C ATOM 774 CG GLU A 56 -6.968 -12.885 -11.121 1.00 0.00 C ATOM 775 CD GLU A 56 -7.660 -12.129 -12.239 1.00 0.00 C ATOM 776 OE1 GLU A 56 -8.599 -12.689 -12.842 1.00 0.00 O ATOM 777 OE2 GLU A 56 -7.260 -10.978 -12.514 1.00 0.00 O ATOM 0 H GLU A 56 -6.166 -14.896 -8.751 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.382 -15.207 -10.959 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.168 -13.218 -12.227 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.305 -14.550 -12.290 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.705 -13.475 -10.576 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.544 -12.172 -10.413 1.00 0.00 H new ATOM 784 N LEU A 57 -3.019 -13.405 -9.946 1.00 0.00 N ATOM 785 CA LEU A 57 -2.157 -12.464 -9.240 1.00 0.00 C ATOM 786 C LEU A 57 -1.375 -11.604 -10.232 1.00 0.00 C ATOM 787 O LEU A 57 -1.276 -11.940 -11.412 1.00 0.00 O ATOM 788 CB LEU A 57 -1.195 -13.209 -8.304 1.00 0.00 C ATOM 789 CG LEU A 57 0.049 -13.816 -8.965 1.00 0.00 C ATOM 790 CD1 LEU A 57 0.994 -14.361 -7.904 1.00 0.00 C ATOM 791 CD2 LEU A 57 -0.332 -14.916 -9.945 1.00 0.00 C ATOM 0 H LEU A 57 -2.537 -13.977 -10.640 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.787 -11.810 -8.637 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.869 -12.519 -7.526 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.747 -14.009 -7.810 1.00 0.00 H new ATOM 0 HG LEU A 57 0.556 -13.028 -9.522 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.873 -14.789 -8.385 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.301 -13.553 -7.240 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.485 -15.132 -7.325 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.570 -15.328 -10.398 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.865 -15.706 -9.416 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.974 -14.503 -10.724 1.00 0.00 H new ATOM 803 N LYS A 58 -0.823 -10.496 -9.746 1.00 0.00 N ATOM 804 CA LYS A 58 -0.059 -9.588 -10.596 1.00 0.00 C ATOM 805 C LYS A 58 1.363 -9.408 -10.075 1.00 0.00 C ATOM 806 O LYS A 58 2.046 -8.445 -10.426 1.00 0.00 O ATOM 807 CB LYS A 58 -0.760 -8.229 -10.679 1.00 0.00 C ATOM 808 CG LYS A 58 -2.175 -8.305 -11.234 1.00 0.00 C ATOM 809 CD LYS A 58 -2.185 -8.794 -12.674 1.00 0.00 C ATOM 810 CE LYS A 58 -3.602 -8.929 -13.206 1.00 0.00 C ATOM 811 NZ LYS A 58 -4.327 -7.628 -13.199 1.00 0.00 N ATOM 0 H LYS A 58 -0.890 -10.206 -8.771 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.003 -10.027 -11.592 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.793 -7.785 -9.684 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.168 -7.562 -11.306 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.773 -8.976 -10.617 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.641 -7.321 -11.180 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.625 -8.099 -13.299 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.679 -9.757 -12.736 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.572 -9.322 -14.222 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.149 -9.652 -12.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.205 -7.717 -13.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.558 -7.365 -12.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.725 -6.893 -13.622 1.00 0.00 H new ATOM 825 N VAL A 59 1.807 -10.343 -9.242 1.00 0.00 N ATOM 826 CA VAL A 59 3.149 -10.285 -8.676 1.00 0.00 C ATOM 827 C VAL A 59 3.915 -11.578 -8.939 1.00 0.00 C ATOM 828 O VAL A 59 3.331 -12.660 -8.985 1.00 0.00 O ATOM 829 CB VAL A 59 3.112 -10.020 -7.160 1.00 0.00 C ATOM 830 CG1 VAL A 59 2.507 -8.655 -6.873 1.00 0.00 C ATOM 831 CG2 VAL A 59 2.336 -11.115 -6.442 1.00 0.00 C ATOM 0 H VAL A 59 1.258 -11.149 -8.944 1.00 0.00 H new ATOM 0 HA VAL A 59 3.661 -9.457 -9.167 1.00 0.00 H new ATOM 0 HB VAL A 59 4.135 -10.027 -6.785 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.489 -8.484 -5.797 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.108 -7.882 -7.353 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.490 -8.618 -7.264 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.322 -10.909 -5.372 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.314 -11.144 -6.820 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.816 -12.077 -6.620 1.00 0.00 H new ATOM 841 N ASN A 60 5.227 -11.454 -9.112 1.00 0.00 N ATOM 842 CA ASN A 60 6.078 -12.611 -9.368 1.00 0.00 C ATOM 843 C ASN A 60 7.210 -12.682 -8.350 1.00 0.00 C ATOM 844 O ASN A 60 7.659 -11.659 -7.833 1.00 0.00 O ATOM 845 CB ASN A 60 6.653 -12.545 -10.787 1.00 0.00 C ATOM 846 CG ASN A 60 5.590 -12.331 -11.850 1.00 0.00 C ATOM 847 OD1 ASN A 60 5.828 -11.649 -12.847 1.00 0.00 O ATOM 848 ND2 ASN A 60 4.413 -12.918 -11.654 1.00 0.00 N ATOM 0 H ASN A 60 5.724 -10.564 -9.080 1.00 0.00 H new ATOM 0 HA ASN A 60 5.469 -13.510 -9.274 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.381 -11.735 -10.841 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.189 -13.470 -10.999 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.669 -12.811 -12.343 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.255 -13.475 -10.815 1.00 0.00 H new ATOM 855 N VAL A 61 7.666 -13.898 -8.065 1.00 0.00 N ATOM 856 CA VAL A 61 8.743 -14.105 -7.106 1.00 0.00 C ATOM 857 C VAL A 61 10.032 -13.434 -7.572 1.00 0.00 C ATOM 858 O VAL A 61 10.548 -13.739 -8.648 1.00 0.00 O ATOM 859 CB VAL A 61 9.012 -15.605 -6.877 1.00 0.00 C ATOM 860 CG1 VAL A 61 10.068 -15.802 -5.800 1.00 0.00 C ATOM 861 CG2 VAL A 61 7.723 -16.328 -6.511 1.00 0.00 C ATOM 0 H VAL A 61 7.305 -14.755 -8.485 1.00 0.00 H new ATOM 0 HA VAL A 61 8.421 -13.654 -6.167 1.00 0.00 H new ATOM 0 HB VAL A 61 9.391 -16.033 -7.805 1.00 0.00 H new ATOM 0 HG11 VAL A 61 10.244 -16.868 -5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.996 -15.320 -6.108 1.00 0.00 H new ATOM 0 HG13 VAL A 61 9.722 -15.359 -4.866 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.932 -17.386 -6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.312 -15.899 -5.597 1.00 0.00 H new ATOM 0 HG23 VAL A 61 7.001 -16.217 -7.320 1.00 0.00 H new ATOM 871 N GLY A 62 10.545 -12.519 -6.755 1.00 0.00 N ATOM 872 CA GLY A 62 11.767 -11.817 -7.098 1.00 0.00 C ATOM 873 C GLY A 62 11.511 -10.396 -7.559 1.00 0.00 C ATOM 874 O GLY A 62 12.449 -9.629 -7.780 1.00 0.00 O ATOM 0 H GLY A 62 10.135 -12.251 -5.860 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.428 -11.801 -6.232 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.287 -12.363 -7.885 1.00 0.00 H new ATOM 878 N ASP A 63 10.237 -10.042 -7.704 1.00 0.00 N ATOM 879 CA ASP A 63 9.860 -8.703 -8.141 1.00 0.00 C ATOM 880 C ASP A 63 9.505 -7.815 -6.953 1.00 0.00 C ATOM 881 O ASP A 63 8.645 -8.158 -6.142 1.00 0.00 O ATOM 882 CB ASP A 63 8.681 -8.771 -9.112 1.00 0.00 C ATOM 883 CG ASP A 63 9.060 -9.406 -10.436 1.00 0.00 C ATOM 884 OD1 ASP A 63 9.242 -10.640 -10.472 1.00 0.00 O ATOM 885 OD2 ASP A 63 9.177 -8.666 -11.436 1.00 0.00 O ATOM 0 H ASP A 63 9.449 -10.664 -7.525 1.00 0.00 H new ATOM 0 HA ASP A 63 10.718 -8.265 -8.651 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.871 -9.341 -8.657 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.301 -7.765 -9.290 1.00 0.00 H new ATOM 890 N LYS A 64 10.177 -6.673 -6.863 1.00 0.00 N ATOM 891 CA LYS A 64 9.948 -5.718 -5.781 1.00 0.00 C ATOM 892 C LYS A 64 8.482 -5.298 -5.706 1.00 0.00 C ATOM 893 O LYS A 64 7.669 -5.669 -6.555 1.00 0.00 O ATOM 894 CB LYS A 64 10.829 -4.482 -5.976 1.00 0.00 C ATOM 895 CG LYS A 64 12.315 -4.797 -6.050 1.00 0.00 C ATOM 896 CD LYS A 64 13.141 -3.539 -6.260 1.00 0.00 C ATOM 897 CE LYS A 64 14.629 -3.846 -6.278 1.00 0.00 C ATOM 898 NZ LYS A 64 15.447 -2.619 -6.486 1.00 0.00 N ATOM 0 H LYS A 64 10.891 -6.383 -7.531 1.00 0.00 H new ATOM 0 HA LYS A 64 10.209 -6.209 -4.844 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.528 -3.973 -6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.654 -3.788 -5.154 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.630 -5.291 -5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.500 -5.495 -6.866 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.854 -3.067 -7.200 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.926 -2.824 -5.466 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.914 -4.317 -5.337 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.842 -4.563 -7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.456 -2.871 -6.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.194 -2.183 -7.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.263 -1.945 -5.716 1.00 0.00 H new ATOM 912 N VAL A 65 8.154 -4.515 -4.682 1.00 0.00 N ATOM 913 CA VAL A 65 6.790 -4.038 -4.484 1.00 0.00 C ATOM 914 C VAL A 65 6.786 -2.588 -4.006 1.00 0.00 C ATOM 915 O VAL A 65 7.783 -2.097 -3.476 1.00 0.00 O ATOM 916 CB VAL A 65 6.036 -4.910 -3.459 1.00 0.00 C ATOM 917 CG1 VAL A 65 6.556 -4.659 -2.052 1.00 0.00 C ATOM 918 CG2 VAL A 65 4.538 -4.658 -3.535 1.00 0.00 C ATOM 0 H VAL A 65 8.817 -4.197 -3.975 1.00 0.00 H new ATOM 0 HA VAL A 65 6.283 -4.104 -5.446 1.00 0.00 H new ATOM 0 HB VAL A 65 6.216 -5.956 -3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.010 -5.284 -1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.617 -4.903 -2.008 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.413 -3.610 -1.793 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.026 -5.283 -2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.334 -3.609 -3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.178 -4.901 -4.535 1.00 0.00 H new ATOM 928 N LYS A 66 5.658 -1.910 -4.194 1.00 0.00 N ATOM 929 CA LYS A 66 5.525 -0.518 -3.776 1.00 0.00 C ATOM 930 C LYS A 66 4.129 -0.247 -3.224 1.00 0.00 C ATOM 931 O LYS A 66 3.169 -0.937 -3.570 1.00 0.00 O ATOM 932 CB LYS A 66 5.812 0.422 -4.947 1.00 0.00 C ATOM 933 CG LYS A 66 7.234 0.318 -5.477 1.00 0.00 C ATOM 934 CD LYS A 66 7.464 1.264 -6.644 1.00 0.00 C ATOM 935 CE LYS A 66 8.889 1.164 -7.166 1.00 0.00 C ATOM 936 NZ LYS A 66 9.891 1.481 -6.112 1.00 0.00 N ATOM 0 H LYS A 66 4.824 -2.301 -4.632 1.00 0.00 H new ATOM 0 HA LYS A 66 6.253 -0.334 -2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.115 0.204 -5.756 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.625 1.449 -4.632 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.939 0.546 -4.678 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.432 -0.706 -5.793 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.764 1.032 -7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.261 2.288 -6.330 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.067 0.157 -7.545 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.017 1.848 -8.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.824 1.618 -6.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.610 2.351 -5.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.940 0.696 -5.432 1.00 0.00 H new ATOM 950 N THR A 67 4.023 0.763 -2.365 1.00 0.00 N ATOM 951 CA THR A 67 2.744 1.128 -1.766 1.00 0.00 C ATOM 952 C THR A 67 1.756 1.603 -2.826 1.00 0.00 C ATOM 953 O THR A 67 2.078 2.460 -3.649 1.00 0.00 O ATOM 954 CB THR A 67 2.914 2.237 -0.711 1.00 0.00 C ATOM 955 OG1 THR A 67 3.483 3.405 -1.313 1.00 0.00 O ATOM 956 CG2 THR A 67 3.802 1.767 0.432 1.00 0.00 C ATOM 0 H THR A 67 4.808 1.343 -2.068 1.00 0.00 H new ATOM 0 HA THR A 67 2.355 0.232 -1.283 1.00 0.00 H new ATOM 0 HB THR A 67 1.929 2.478 -0.310 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.206 3.457 -2.251 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.907 2.568 1.164 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.351 0.896 0.908 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.785 1.500 0.043 1.00 0.00 H new ATOM 964 N GLY A 68 0.551 1.040 -2.799 1.00 0.00 N ATOM 965 CA GLY A 68 -0.468 1.417 -3.761 1.00 0.00 C ATOM 966 C GLY A 68 -0.574 0.434 -4.911 1.00 0.00 C ATOM 967 O GLY A 68 -1.474 0.540 -5.745 1.00 0.00 O ATOM 0 H GLY A 68 0.263 0.329 -2.127 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.432 1.486 -3.256 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.243 2.408 -4.154 1.00 0.00 H new ATOM 971 N SER A 69 0.347 -0.524 -4.955 1.00 0.00 N ATOM 972 CA SER A 69 0.353 -1.529 -6.012 1.00 0.00 C ATOM 973 C SER A 69 -0.373 -2.795 -5.565 1.00 0.00 C ATOM 974 O SER A 69 -0.143 -3.298 -4.466 1.00 0.00 O ATOM 975 CB SER A 69 1.790 -1.867 -6.415 1.00 0.00 C ATOM 976 OG SER A 69 1.815 -2.840 -7.446 1.00 0.00 O ATOM 0 H SER A 69 1.098 -0.625 -4.272 1.00 0.00 H new ATOM 0 HA SER A 69 -0.172 -1.116 -6.874 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.299 -0.964 -6.751 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.337 -2.237 -5.548 1.00 0.00 H new ATOM 0 HG SER A 69 2.744 -3.038 -7.687 1.00 0.00 H new ATOM 982 N LEU A 70 -1.250 -3.304 -6.426 1.00 0.00 N ATOM 983 CA LEU A 70 -2.008 -4.512 -6.120 1.00 0.00 C ATOM 984 C LEU A 70 -1.098 -5.735 -6.116 1.00 0.00 C ATOM 985 O LEU A 70 -0.216 -5.866 -6.966 1.00 0.00 O ATOM 986 CB LEU A 70 -3.137 -4.702 -7.137 1.00 0.00 C ATOM 987 CG LEU A 70 -4.122 -3.533 -7.240 1.00 0.00 C ATOM 988 CD1 LEU A 70 -5.124 -3.779 -8.358 1.00 0.00 C ATOM 989 CD2 LEU A 70 -4.841 -3.320 -5.916 1.00 0.00 C ATOM 0 H LEU A 70 -1.453 -2.899 -7.340 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.441 -4.400 -5.126 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.696 -4.873 -8.119 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.692 -5.603 -6.876 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.559 -2.629 -7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.816 -2.939 -8.417 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.594 -3.881 -9.305 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.680 -4.694 -8.153 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.536 -2.486 -6.010 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.391 -4.223 -5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.111 -3.099 -5.137 1.00 0.00 H new ATOM 1001 N ILE A 71 -1.314 -6.630 -5.155 1.00 0.00 N ATOM 1002 CA ILE A 71 -0.507 -7.838 -5.045 1.00 0.00 C ATOM 1003 C ILE A 71 -1.284 -9.077 -5.486 1.00 0.00 C ATOM 1004 O ILE A 71 -0.824 -9.834 -6.341 1.00 0.00 O ATOM 1005 CB ILE A 71 0.012 -8.043 -3.607 1.00 0.00 C ATOM 1006 CG1 ILE A 71 -1.132 -7.921 -2.594 1.00 0.00 C ATOM 1007 CG2 ILE A 71 1.111 -7.036 -3.298 1.00 0.00 C ATOM 1008 CD1 ILE A 71 -0.720 -8.229 -1.170 1.00 0.00 C ATOM 0 H ILE A 71 -2.040 -6.540 -4.444 1.00 0.00 H new ATOM 0 HA ILE A 71 0.345 -7.703 -5.711 1.00 0.00 H new ATOM 0 HB ILE A 71 0.427 -9.048 -3.528 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.536 -6.909 -2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.936 -8.597 -2.884 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.470 -7.190 -2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.936 -7.171 -3.998 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.715 -6.025 -3.394 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.581 -8.122 -0.511 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.344 -9.251 -1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.063 -7.537 -0.860 1.00 0.00 H new ATOM 1020 N MET A 72 -2.464 -9.278 -4.905 1.00 0.00 N ATOM 1021 CA MET A 72 -3.298 -10.428 -5.241 1.00 0.00 C ATOM 1022 C MET A 72 -4.778 -10.090 -5.103 1.00 0.00 C ATOM 1023 O MET A 72 -5.145 -9.119 -4.441 1.00 0.00 O ATOM 1024 CB MET A 72 -2.956 -11.618 -4.338 1.00 0.00 C ATOM 1025 CG MET A 72 -1.594 -12.230 -4.619 1.00 0.00 C ATOM 1026 SD MET A 72 -1.225 -13.623 -3.535 1.00 0.00 S ATOM 1027 CE MET A 72 0.340 -14.169 -4.211 1.00 0.00 C ATOM 0 H MET A 72 -2.864 -8.659 -4.199 1.00 0.00 H new ATOM 0 HA MET A 72 -3.097 -10.694 -6.279 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.991 -11.294 -3.298 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.721 -12.385 -4.459 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.555 -12.561 -5.657 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.825 -11.467 -4.499 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.226 -15.168 -4.633 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.659 -13.480 -4.993 1.00 0.00 H new ATOM 0 HE3 MET A 72 1.090 -14.193 -3.420 1.00 0.00 H new ATOM 1037 N ILE A 73 -5.622 -10.896 -5.737 1.00 0.00 N ATOM 1038 CA ILE A 73 -7.064 -10.696 -5.683 1.00 0.00 C ATOM 1039 C ILE A 73 -7.779 -12.014 -5.415 1.00 0.00 C ATOM 1040 O ILE A 73 -7.591 -12.990 -6.142 1.00 0.00 O ATOM 1041 CB ILE A 73 -7.604 -10.090 -6.995 1.00 0.00 C ATOM 1042 CG1 ILE A 73 -6.819 -8.830 -7.364 1.00 0.00 C ATOM 1043 CG2 ILE A 73 -9.088 -9.777 -6.863 1.00 0.00 C ATOM 1044 CD1 ILE A 73 -7.134 -8.302 -8.746 1.00 0.00 C ATOM 0 H ILE A 73 -5.330 -11.697 -6.297 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.259 -9.998 -4.869 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.476 -10.821 -7.794 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.031 -8.052 -6.630 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.752 -9.045 -7.301 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.454 -9.350 -7.797 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.635 -10.694 -6.644 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.239 -9.063 -6.054 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.541 -7.408 -8.938 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.895 -9.063 -9.489 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.194 -8.054 -8.808 1.00 0.00 H new ATOM 1056 N PHE A 74 -8.597 -12.040 -4.368 1.00 0.00 N ATOM 1057 CA PHE A 74 -9.333 -13.245 -4.008 1.00 0.00 C ATOM 1058 C PHE A 74 -10.795 -13.143 -4.421 1.00 0.00 C ATOM 1059 O PHE A 74 -11.319 -12.048 -4.624 1.00 0.00 O ATOM 1060 CB PHE A 74 -9.249 -13.492 -2.501 1.00 0.00 C ATOM 1061 CG PHE A 74 -7.845 -13.599 -1.981 1.00 0.00 C ATOM 1062 CD1 PHE A 74 -7.086 -14.730 -2.229 1.00 0.00 C ATOM 1063 CD2 PHE A 74 -7.290 -12.573 -1.236 1.00 0.00 C ATOM 1064 CE1 PHE A 74 -5.797 -14.835 -1.744 1.00 0.00 C ATOM 1065 CE2 PHE A 74 -6.001 -12.671 -0.748 1.00 0.00 C ATOM 1066 CZ PHE A 74 -5.252 -13.804 -1.002 1.00 0.00 C ATOM 0 H PHE A 74 -8.766 -11.242 -3.756 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.877 -14.080 -4.540 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.758 -12.681 -1.981 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.786 -14.410 -2.262 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.506 -15.539 -2.808 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.871 -11.685 -1.034 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.215 -15.722 -1.944 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.579 -11.863 -0.169 1.00 0.00 H new ATOM 0 HZ PHE A 74 -4.244 -13.884 -0.622 1.00 0.00 H new ATOM 1076 N GLU A 75 -11.443 -14.295 -4.542 1.00 0.00 N ATOM 1077 CA GLU A 75 -12.849 -14.353 -4.914 1.00 0.00 C ATOM 1078 C GLU A 75 -13.545 -15.466 -4.138 1.00 0.00 C ATOM 1079 O GLU A 75 -13.543 -16.625 -4.553 1.00 0.00 O ATOM 1080 CB GLU A 75 -12.995 -14.577 -6.423 1.00 0.00 C ATOM 1081 CG GLU A 75 -14.423 -14.449 -6.931 1.00 0.00 C ATOM 1082 CD GLU A 75 -15.233 -15.715 -6.732 1.00 0.00 C ATOM 1083 OE1 GLU A 75 -15.085 -16.648 -7.549 1.00 0.00 O ATOM 1084 OE2 GLU A 75 -16.015 -15.774 -5.760 1.00 0.00 O ATOM 0 H GLU A 75 -11.013 -15.207 -4.387 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.320 -13.402 -4.664 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.367 -13.858 -6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -12.619 -15.570 -6.671 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.915 -13.624 -6.416 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -14.405 -14.197 -7.991 1.00 0.00 H new ATOM 1091 N VAL A 76 -14.127 -15.105 -2.999 1.00 0.00 N ATOM 1092 CA VAL A 76 -14.816 -16.069 -2.151 1.00 0.00 C ATOM 1093 C VAL A 76 -16.265 -16.256 -2.583 1.00 0.00 C ATOM 1094 O VAL A 76 -16.837 -15.403 -3.258 1.00 0.00 O ATOM 1095 CB VAL A 76 -14.776 -15.644 -0.670 1.00 0.00 C ATOM 1096 CG1 VAL A 76 -13.352 -15.316 -0.249 1.00 0.00 C ATOM 1097 CG2 VAL A 76 -15.699 -14.460 -0.419 1.00 0.00 C ATOM 0 H VAL A 76 -14.135 -14.150 -2.642 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.290 -17.017 -2.262 1.00 0.00 H new ATOM 0 HB VAL A 76 -15.130 -16.479 -0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -13.342 -15.018 0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -12.722 -16.195 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -12.970 -14.500 -0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -15.653 -14.179 0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -15.384 -13.617 -1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -16.722 -14.735 -0.677 1.00 0.00 H new ATOM 1853 N SER B 43 -15.438 -11.163 -3.519 1.00 0.00 N ATOM 1854 CA SER B 43 -14.093 -10.897 -4.013 1.00 0.00 C ATOM 1855 C SER B 43 -13.646 -9.498 -3.603 1.00 0.00 C ATOM 1856 O SER B 43 -14.456 -8.572 -3.543 1.00 0.00 O ATOM 1857 CB SER B 43 -14.050 -11.034 -5.535 1.00 0.00 C ATOM 1858 OG SER B 43 -14.938 -10.121 -6.155 1.00 0.00 O ATOM 0 HA SER B 43 -13.413 -11.627 -3.574 1.00 0.00 H new ATOM 0 HB2 SER B 43 -13.035 -10.857 -5.891 1.00 0.00 H new ATOM 0 HB3 SER B 43 -14.314 -12.053 -5.819 1.00 0.00 H new ATOM 0 HG SER B 43 -15.665 -9.900 -5.536 1.00 0.00 H new ATOM 1864 N MET B 44 -12.356 -9.347 -3.321 1.00 0.00 N ATOM 1865 CA MET B 44 -11.815 -8.054 -2.916 1.00 0.00 C ATOM 1866 C MET B 44 -10.310 -7.988 -3.153 1.00 0.00 C ATOM 1867 O MET B 44 -9.553 -8.808 -2.633 1.00 0.00 O ATOM 1868 CB MET B 44 -12.125 -7.792 -1.439 1.00 0.00 C ATOM 1869 CG MET B 44 -11.681 -6.421 -0.955 1.00 0.00 C ATOM 1870 SD MET B 44 -12.478 -5.074 -1.852 1.00 0.00 S ATOM 1871 CE MET B 44 -14.204 -5.397 -1.494 1.00 0.00 C ATOM 0 H MET B 44 -11.669 -10.099 -3.365 1.00 0.00 H new ATOM 0 HA MET B 44 -12.289 -7.284 -3.525 1.00 0.00 H new ATOM 0 HB2 MET B 44 -13.198 -7.894 -1.279 1.00 0.00 H new ATOM 0 HB3 MET B 44 -11.638 -8.556 -0.834 1.00 0.00 H new ATOM 0 HG2 MET B 44 -11.903 -6.326 0.108 1.00 0.00 H new ATOM 0 HG3 MET B 44 -10.600 -6.335 -1.063 1.00 0.00 H new ATOM 0 HE1 MET B 44 -14.791 -4.501 -1.696 1.00 0.00 H new ATOM 0 HE2 MET B 44 -14.559 -6.213 -2.123 1.00 0.00 H new ATOM 0 HE3 MET B 44 -14.313 -5.673 -0.445 1.00 0.00 H new ATOM 1881 N GLU B 45 -9.884 -7.008 -3.943 1.00 0.00 N ATOM 1882 CA GLU B 45 -8.471 -6.827 -4.248 1.00 0.00 C ATOM 1883 C GLU B 45 -7.732 -6.245 -3.046 1.00 0.00 C ATOM 1884 O GLU B 45 -8.257 -5.376 -2.348 1.00 0.00 O ATOM 1885 CB GLU B 45 -8.302 -5.914 -5.463 1.00 0.00 C ATOM 1886 CG GLU B 45 -8.939 -4.545 -5.290 1.00 0.00 C ATOM 1887 CD GLU B 45 -8.839 -3.694 -6.541 1.00 0.00 C ATOM 1888 OE1 GLU B 45 -9.757 -3.770 -7.384 1.00 0.00 O ATOM 1889 OE2 GLU B 45 -7.843 -2.952 -6.676 1.00 0.00 O ATOM 0 H GLU B 45 -10.500 -6.325 -4.384 1.00 0.00 H new ATOM 0 HA GLU B 45 -8.043 -7.802 -4.479 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -7.239 -5.787 -5.666 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -8.738 -6.400 -6.336 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -9.988 -4.668 -5.021 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -8.456 -4.026 -4.462 1.00 0.00 H new ATOM 1896 N VAL B 46 -6.516 -6.725 -2.810 1.00 0.00 N ATOM 1897 CA VAL B 46 -5.716 -6.250 -1.687 1.00 0.00 C ATOM 1898 C VAL B 46 -4.395 -5.641 -2.160 1.00 0.00 C ATOM 1899 O VAL B 46 -3.770 -6.148 -3.092 1.00 0.00 O ATOM 1900 CB VAL B 46 -5.416 -7.390 -0.693 1.00 0.00 C ATOM 1901 CG1 VAL B 46 -6.706 -7.943 -0.107 1.00 0.00 C ATOM 1902 CG2 VAL B 46 -4.617 -8.494 -1.369 1.00 0.00 C ATOM 0 H VAL B 46 -6.064 -7.440 -3.379 1.00 0.00 H new ATOM 0 HA VAL B 46 -6.304 -5.481 -1.186 1.00 0.00 H new ATOM 0 HB VAL B 46 -4.817 -6.985 0.122 1.00 0.00 H new ATOM 0 HG11 VAL B 46 -6.473 -8.746 0.592 1.00 0.00 H new ATOM 0 HG12 VAL B 46 -7.237 -7.149 0.417 1.00 0.00 H new ATOM 0 HG13 VAL B 46 -7.333 -8.331 -0.910 1.00 0.00 H new ATOM 0 HG21 VAL B 46 -4.415 -9.289 -0.651 1.00 0.00 H new ATOM 0 HG22 VAL B 46 -5.188 -8.897 -2.205 1.00 0.00 H new ATOM 0 HG23 VAL B 46 -3.674 -8.088 -1.736 1.00 0.00 H new ATOM 1912 N PRO B 47 -3.953 -4.537 -1.525 1.00 0.00 N ATOM 1913 CA PRO B 47 -2.713 -3.861 -1.870 1.00 0.00 C ATOM 1914 C PRO B 47 -1.582 -4.190 -0.898 1.00 0.00 C ATOM 1915 O PRO B 47 -1.796 -4.851 0.118 1.00 0.00 O ATOM 1916 CB PRO B 47 -3.121 -2.401 -1.723 1.00 0.00 C ATOM 1917 CG PRO B 47 -4.106 -2.395 -0.588 1.00 0.00 C ATOM 1918 CD PRO B 47 -4.649 -3.805 -0.456 1.00 0.00 C ATOM 0 HA PRO B 47 -2.329 -4.142 -2.851 1.00 0.00 H new ATOM 0 HB2 PRO B 47 -2.260 -1.769 -1.504 1.00 0.00 H new ATOM 0 HB3 PRO B 47 -3.571 -2.021 -2.640 1.00 0.00 H new ATOM 0 HG2 PRO B 47 -3.624 -2.080 0.338 1.00 0.00 H new ATOM 0 HG3 PRO B 47 -4.913 -1.689 -0.783 1.00 0.00 H new ATOM 0 HD2 PRO B 47 -4.436 -4.228 0.526 1.00 0.00 H new ATOM 0 HD3 PRO B 47 -5.731 -3.833 -0.587 1.00 0.00 H new ATOM 1926 N ALA B 48 -0.379 -3.726 -1.221 1.00 0.00 N ATOM 1927 CA ALA B 48 0.784 -3.967 -0.374 1.00 0.00 C ATOM 1928 C ALA B 48 0.877 -2.916 0.735 1.00 0.00 C ATOM 1929 O ALA B 48 0.715 -1.723 0.475 1.00 0.00 O ATOM 1930 CB ALA B 48 2.056 -3.968 -1.208 1.00 0.00 C ATOM 0 H ALA B 48 -0.184 -3.182 -2.062 1.00 0.00 H new ATOM 0 HA ALA B 48 0.669 -4.946 0.091 1.00 0.00 H new ATOM 0 HB1 ALA B 48 2.915 -4.149 -0.562 1.00 0.00 H new ATOM 0 HB2 ALA B 48 1.997 -4.754 -1.961 1.00 0.00 H new ATOM 0 HB3 ALA B 48 2.169 -3.002 -1.700 1.00 0.00 H new ATOM 1936 N PRO B 49 1.141 -3.342 1.986 1.00 0.00 N ATOM 1937 CA PRO B 49 1.245 -2.419 3.123 1.00 0.00 C ATOM 1938 C PRO B 49 2.412 -1.447 2.978 1.00 0.00 C ATOM 1939 O PRO B 49 2.236 -0.233 3.092 1.00 0.00 O ATOM 1940 CB PRO B 49 1.462 -3.344 4.326 1.00 0.00 C ATOM 1941 CG PRO B 49 1.986 -4.614 3.750 1.00 0.00 C ATOM 1942 CD PRO B 49 1.362 -4.742 2.390 1.00 0.00 C ATOM 0 HA PRO B 49 0.360 -1.789 3.213 1.00 0.00 H new ATOM 0 HB2 PRO B 49 2.169 -2.911 5.034 1.00 0.00 H new ATOM 0 HB3 PRO B 49 0.531 -3.511 4.868 1.00 0.00 H new ATOM 0 HG2 PRO B 49 3.073 -4.591 3.679 1.00 0.00 H new ATOM 0 HG3 PRO B 49 1.726 -5.465 4.380 1.00 0.00 H new ATOM 0 HD2 PRO B 49 2.019 -5.263 1.693 1.00 0.00 H new ATOM 0 HD3 PRO B 49 0.428 -5.302 2.427 1.00 0.00 H new ATOM 1950 N PHE B 50 3.600 -1.985 2.725 1.00 0.00 N ATOM 1951 CA PHE B 50 4.794 -1.161 2.565 1.00 0.00 C ATOM 1952 C PHE B 50 5.690 -1.709 1.459 1.00 0.00 C ATOM 1953 O PHE B 50 5.685 -2.908 1.179 1.00 0.00 O ATOM 1954 CB PHE B 50 5.572 -1.088 3.884 1.00 0.00 C ATOM 1955 CG PHE B 50 6.194 -2.394 4.296 1.00 0.00 C ATOM 1956 CD1 PHE B 50 5.403 -3.493 4.594 1.00 0.00 C ATOM 1957 CD2 PHE B 50 7.571 -2.521 4.387 1.00 0.00 C ATOM 1958 CE1 PHE B 50 5.973 -4.694 4.973 1.00 0.00 C ATOM 1959 CE2 PHE B 50 8.147 -3.720 4.765 1.00 0.00 C ATOM 1960 CZ PHE B 50 7.348 -4.806 5.058 1.00 0.00 C ATOM 0 H PHE B 50 3.763 -2.987 2.626 1.00 0.00 H new ATOM 0 HA PHE B 50 4.477 -0.157 2.284 1.00 0.00 H new ATOM 0 HB2 PHE B 50 6.356 -0.336 3.791 1.00 0.00 H new ATOM 0 HB3 PHE B 50 4.900 -0.752 4.673 1.00 0.00 H new ATOM 0 HD1 PHE B 50 4.328 -3.410 4.529 1.00 0.00 H new ATOM 0 HD2 PHE B 50 8.201 -1.674 4.160 1.00 0.00 H new ATOM 0 HE1 PHE B 50 5.346 -5.543 5.202 1.00 0.00 H new ATOM 0 HE2 PHE B 50 9.222 -3.806 4.831 1.00 0.00 H new ATOM 0 HZ PHE B 50 7.797 -5.743 5.354 1.00 0.00 H new ATOM 1970 N ALA B 51 6.459 -0.824 0.834 1.00 0.00 N ATOM 1971 CA ALA B 51 7.361 -1.215 -0.243 1.00 0.00 C ATOM 1972 C ALA B 51 8.456 -2.146 0.266 1.00 0.00 C ATOM 1973 O ALA B 51 8.672 -2.263 1.473 1.00 0.00 O ATOM 1974 CB ALA B 51 7.974 0.017 -0.892 1.00 0.00 C ATOM 0 H ALA B 51 6.476 0.172 1.056 1.00 0.00 H new ATOM 0 HA ALA B 51 6.780 -1.756 -0.990 1.00 0.00 H new ATOM 0 HB1 ALA B 51 8.645 -0.290 -1.694 1.00 0.00 H new ATOM 0 HB2 ALA B 51 7.182 0.645 -1.301 1.00 0.00 H new ATOM 0 HB3 ALA B 51 8.534 0.581 -0.146 1.00 0.00 H new ATOM 1980 N GLY B 52 9.142 -2.808 -0.660 1.00 0.00 N ATOM 1981 CA GLY B 52 10.209 -3.718 -0.288 1.00 0.00 C ATOM 1982 C GLY B 52 10.552 -4.696 -1.395 1.00 0.00 C ATOM 1983 O GLY B 52 9.839 -4.784 -2.395 1.00 0.00 O ATOM 0 H GLY B 52 8.977 -2.730 -1.664 1.00 0.00 H new ATOM 0 HA2 GLY B 52 11.098 -3.143 -0.027 1.00 0.00 H new ATOM 0 HA3 GLY B 52 9.915 -4.272 0.603 1.00 0.00 H new ATOM 1987 N VAL B 53 11.645 -5.430 -1.218 1.00 0.00 N ATOM 1988 CA VAL B 53 12.080 -6.403 -2.214 1.00 0.00 C ATOM 1989 C VAL B 53 11.711 -7.824 -1.801 1.00 0.00 C ATOM 1990 O VAL B 53 11.919 -8.223 -0.655 1.00 0.00 O ATOM 1991 CB VAL B 53 13.602 -6.331 -2.445 1.00 0.00 C ATOM 1992 CG1 VAL B 53 14.017 -7.263 -3.573 1.00 0.00 C ATOM 1993 CG2 VAL B 53 14.032 -4.901 -2.738 1.00 0.00 C ATOM 0 H VAL B 53 12.245 -5.370 -0.396 1.00 0.00 H new ATOM 0 HA VAL B 53 11.564 -6.152 -3.141 1.00 0.00 H new ATOM 0 HB VAL B 53 14.104 -6.657 -1.534 1.00 0.00 H new ATOM 0 HG11 VAL B 53 15.095 -7.198 -3.721 1.00 0.00 H new ATOM 0 HG12 VAL B 53 13.747 -8.287 -3.316 1.00 0.00 H new ATOM 0 HG13 VAL B 53 13.507 -6.973 -4.491 1.00 0.00 H new ATOM 0 HG21 VAL B 53 15.110 -4.871 -2.898 1.00 0.00 H new ATOM 0 HG22 VAL B 53 13.522 -4.544 -3.633 1.00 0.00 H new ATOM 0 HG23 VAL B 53 13.773 -4.263 -1.893 1.00 0.00 H new ATOM 2003 N VAL B 54 11.163 -8.582 -2.746 1.00 0.00 N ATOM 2004 CA VAL B 54 10.765 -9.961 -2.492 1.00 0.00 C ATOM 2005 C VAL B 54 11.980 -10.882 -2.413 1.00 0.00 C ATOM 2006 O VAL B 54 12.636 -11.150 -3.419 1.00 0.00 O ATOM 2007 CB VAL B 54 9.806 -10.470 -3.588 1.00 0.00 C ATOM 2008 CG1 VAL B 54 9.585 -11.973 -3.467 1.00 0.00 C ATOM 2009 CG2 VAL B 54 8.482 -9.726 -3.516 1.00 0.00 C ATOM 0 H VAL B 54 10.984 -8.262 -3.698 1.00 0.00 H new ATOM 0 HA VAL B 54 10.249 -9.976 -1.532 1.00 0.00 H new ATOM 0 HB VAL B 54 10.263 -10.276 -4.558 1.00 0.00 H new ATOM 0 HG11 VAL B 54 8.905 -12.305 -4.252 1.00 0.00 H new ATOM 0 HG12 VAL B 54 10.539 -12.490 -3.570 1.00 0.00 H new ATOM 0 HG13 VAL B 54 9.153 -12.200 -2.492 1.00 0.00 H new ATOM 0 HG21 VAL B 54 7.815 -10.095 -4.295 1.00 0.00 H new ATOM 0 HG22 VAL B 54 8.026 -9.889 -2.540 1.00 0.00 H new ATOM 0 HG23 VAL B 54 8.655 -8.660 -3.662 1.00 0.00 H new ATOM 2019 N LYS B 55 12.275 -11.362 -1.207 1.00 0.00 N ATOM 2020 CA LYS B 55 13.410 -12.253 -0.995 1.00 0.00 C ATOM 2021 C LYS B 55 12.948 -13.700 -0.859 1.00 0.00 C ATOM 2022 O LYS B 55 13.625 -14.623 -1.315 1.00 0.00 O ATOM 2023 CB LYS B 55 14.191 -11.836 0.252 1.00 0.00 C ATOM 2024 CG LYS B 55 14.727 -10.414 0.185 1.00 0.00 C ATOM 2025 CD LYS B 55 15.538 -10.059 1.422 1.00 0.00 C ATOM 2026 CE LYS B 55 16.836 -10.849 1.489 1.00 0.00 C ATOM 2027 NZ LYS B 55 17.690 -10.617 0.290 1.00 0.00 N ATOM 0 H LYS B 55 11.743 -11.148 -0.363 1.00 0.00 H new ATOM 0 HA LYS B 55 14.063 -12.178 -1.864 1.00 0.00 H new ATOM 0 HB2 LYS B 55 13.545 -11.931 1.125 1.00 0.00 H new ATOM 0 HB3 LYS B 55 15.024 -12.524 0.396 1.00 0.00 H new ATOM 0 HG2 LYS B 55 15.349 -10.301 -0.703 1.00 0.00 H new ATOM 0 HG3 LYS B 55 13.896 -9.716 0.082 1.00 0.00 H new ATOM 0 HD2 LYS B 55 15.761 -8.992 1.417 1.00 0.00 H new ATOM 0 HD3 LYS B 55 14.945 -10.257 2.315 1.00 0.00 H new ATOM 0 HE2 LYS B 55 17.386 -10.568 2.387 1.00 0.00 H new ATOM 0 HE3 LYS B 55 16.610 -11.912 1.574 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 18.658 -10.942 0.485 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 17.304 -11.145 -0.519 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 17.704 -9.602 0.065 1.00 0.00 H new ATOM 2041 N GLU B 56 11.792 -13.893 -0.230 1.00 0.00 N ATOM 2042 CA GLU B 56 11.244 -15.230 -0.038 1.00 0.00 C ATOM 2043 C GLU B 56 9.754 -15.173 0.283 1.00 0.00 C ATOM 2044 O GLU B 56 9.296 -14.284 1.002 1.00 0.00 O ATOM 2045 CB GLU B 56 11.994 -15.953 1.084 1.00 0.00 C ATOM 2046 CG GLU B 56 11.965 -15.214 2.412 1.00 0.00 C ATOM 2047 CD GLU B 56 12.678 -15.972 3.516 1.00 0.00 C ATOM 2048 OE1 GLU B 56 13.918 -15.854 3.612 1.00 0.00 O ATOM 2049 OE2 GLU B 56 11.996 -16.685 4.282 1.00 0.00 O ATOM 0 H GLU B 56 11.219 -13.142 0.154 1.00 0.00 H new ATOM 0 HA GLU B 56 11.371 -15.783 -0.969 1.00 0.00 H new ATOM 0 HB2 GLU B 56 11.560 -16.944 1.220 1.00 0.00 H new ATOM 0 HB3 GLU B 56 13.031 -16.098 0.781 1.00 0.00 H new ATOM 0 HG2 GLU B 56 12.429 -14.235 2.289 1.00 0.00 H new ATOM 0 HG3 GLU B 56 10.929 -15.041 2.705 1.00 0.00 H new ATOM 2056 N LEU B 57 9.005 -16.126 -0.260 1.00 0.00 N ATOM 2057 CA LEU B 57 7.565 -16.194 -0.033 1.00 0.00 C ATOM 2058 C LEU B 57 7.149 -17.619 0.317 1.00 0.00 C ATOM 2059 O LEU B 57 7.896 -18.568 0.077 1.00 0.00 O ATOM 2060 CB LEU B 57 6.794 -15.699 -1.263 1.00 0.00 C ATOM 2061 CG LEU B 57 6.625 -16.715 -2.400 1.00 0.00 C ATOM 2062 CD1 LEU B 57 5.664 -16.180 -3.449 1.00 0.00 C ATOM 2063 CD2 LEU B 57 7.968 -17.048 -3.033 1.00 0.00 C ATOM 0 H LEU B 57 9.371 -16.864 -0.862 1.00 0.00 H new ATOM 0 HA LEU B 57 7.321 -15.543 0.806 1.00 0.00 H new ATOM 0 HB2 LEU B 57 5.804 -15.374 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU B 57 7.304 -14.821 -1.659 1.00 0.00 H new ATOM 0 HG LEU B 57 6.210 -17.631 -1.980 1.00 0.00 H new ATOM 0 HD11 LEU B 57 5.554 -16.912 -4.249 1.00 0.00 H new ATOM 0 HD12 LEU B 57 4.692 -15.994 -2.991 1.00 0.00 H new ATOM 0 HD13 LEU B 57 6.055 -15.249 -3.860 1.00 0.00 H new ATOM 0 HD21 LEU B 57 7.823 -17.770 -3.836 1.00 0.00 H new ATOM 0 HD22 LEU B 57 8.415 -16.140 -3.438 1.00 0.00 H new ATOM 0 HD23 LEU B 57 8.630 -17.473 -2.279 1.00 0.00 H new ATOM 2075 N LYS B 58 5.957 -17.764 0.885 1.00 0.00 N ATOM 2076 CA LYS B 58 5.453 -19.076 1.276 1.00 0.00 C ATOM 2077 C LYS B 58 4.125 -19.384 0.591 1.00 0.00 C ATOM 2078 O LYS B 58 3.373 -20.250 1.039 1.00 0.00 O ATOM 2079 CB LYS B 58 5.285 -19.142 2.795 1.00 0.00 C ATOM 2080 CG LYS B 58 6.570 -18.868 3.562 1.00 0.00 C ATOM 2081 CD LYS B 58 7.631 -19.918 3.270 1.00 0.00 C ATOM 2082 CE LYS B 58 8.930 -19.615 3.999 1.00 0.00 C ATOM 2083 NZ LYS B 58 8.741 -19.566 5.475 1.00 0.00 N ATOM 0 H LYS B 58 5.322 -16.991 1.085 1.00 0.00 H new ATOM 0 HA LYS B 58 6.179 -19.825 0.960 1.00 0.00 H new ATOM 0 HB2 LYS B 58 4.528 -18.419 3.100 1.00 0.00 H new ATOM 0 HB3 LYS B 58 4.912 -20.129 3.068 1.00 0.00 H new ATOM 0 HG2 LYS B 58 6.950 -17.882 3.296 1.00 0.00 H new ATOM 0 HG3 LYS B 58 6.359 -18.850 4.631 1.00 0.00 H new ATOM 0 HD2 LYS B 58 7.265 -20.900 3.570 1.00 0.00 H new ATOM 0 HD3 LYS B 58 7.816 -19.961 2.197 1.00 0.00 H new ATOM 0 HE2 LYS B 58 9.670 -20.376 3.753 1.00 0.00 H new ATOM 0 HE3 LYS B 58 9.327 -18.661 3.652 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 9.669 -19.578 5.944 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 8.234 -18.695 5.731 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 8.187 -20.391 5.782 1.00 0.00 H new ATOM 2097 N VAL B 59 3.845 -18.675 -0.497 1.00 0.00 N ATOM 2098 CA VAL B 59 2.609 -18.877 -1.244 1.00 0.00 C ATOM 2099 C VAL B 59 2.892 -19.153 -2.717 1.00 0.00 C ATOM 2100 O VAL B 59 3.846 -18.622 -3.287 1.00 0.00 O ATOM 2101 CB VAL B 59 1.675 -17.658 -1.131 1.00 0.00 C ATOM 2102 CG1 VAL B 59 1.207 -17.473 0.304 1.00 0.00 C ATOM 2103 CG2 VAL B 59 2.369 -16.403 -1.639 1.00 0.00 C ATOM 0 H VAL B 59 4.457 -17.955 -0.881 1.00 0.00 H new ATOM 0 HA VAL B 59 2.116 -19.744 -0.804 1.00 0.00 H new ATOM 0 HB VAL B 59 0.799 -17.838 -1.754 1.00 0.00 H new ATOM 0 HG11 VAL B 59 0.548 -16.607 0.363 1.00 0.00 H new ATOM 0 HG12 VAL B 59 0.667 -18.363 0.628 1.00 0.00 H new ATOM 0 HG13 VAL B 59 2.070 -17.317 0.951 1.00 0.00 H new ATOM 0 HG21 VAL B 59 1.693 -15.552 -1.551 1.00 0.00 H new ATOM 0 HG22 VAL B 59 3.265 -16.217 -1.046 1.00 0.00 H new ATOM 0 HG23 VAL B 59 2.647 -16.539 -2.684 1.00 0.00 H new ATOM 2113 N ASN B 60 2.055 -19.986 -3.327 1.00 0.00 N ATOM 2114 CA ASN B 60 2.208 -20.335 -4.736 1.00 0.00 C ATOM 2115 C ASN B 60 0.924 -20.042 -5.505 1.00 0.00 C ATOM 2116 O ASN B 60 -0.171 -20.089 -4.945 1.00 0.00 O ATOM 2117 CB ASN B 60 2.578 -21.813 -4.879 1.00 0.00 C ATOM 2118 CG ASN B 60 3.750 -22.218 -4.001 1.00 0.00 C ATOM 2119 OD1 ASN B 60 3.776 -23.323 -3.459 1.00 0.00 O ATOM 2120 ND2 ASN B 60 4.731 -21.332 -3.860 1.00 0.00 N ATOM 0 H ASN B 60 1.262 -20.433 -2.867 1.00 0.00 H new ATOM 0 HA ASN B 60 3.010 -19.727 -5.154 1.00 0.00 H new ATOM 0 HB2 ASN B 60 1.712 -22.425 -4.625 1.00 0.00 H new ATOM 0 HB3 ASN B 60 2.822 -22.022 -5.921 1.00 0.00 H new ATOM 0 HD21 ASN B 60 5.543 -21.558 -3.286 1.00 0.00 H new ATOM 0 HD22 ASN B 60 4.671 -20.427 -4.326 1.00 0.00 H new ATOM 2127 N VAL B 61 1.068 -19.742 -6.793 1.00 0.00 N ATOM 2128 CA VAL B 61 -0.078 -19.438 -7.641 1.00 0.00 C ATOM 2129 C VAL B 61 -1.012 -20.640 -7.758 1.00 0.00 C ATOM 2130 O VAL B 61 -0.608 -21.710 -8.212 1.00 0.00 O ATOM 2131 CB VAL B 61 0.366 -19.011 -9.054 1.00 0.00 C ATOM 2132 CG1 VAL B 61 -0.835 -18.611 -9.897 1.00 0.00 C ATOM 2133 CG2 VAL B 61 1.374 -17.874 -8.973 1.00 0.00 C ATOM 0 H VAL B 61 1.968 -19.703 -7.271 1.00 0.00 H new ATOM 0 HA VAL B 61 -0.609 -18.612 -7.168 1.00 0.00 H new ATOM 0 HB VAL B 61 0.848 -19.862 -9.536 1.00 0.00 H new ATOM 0 HG11 VAL B 61 -0.499 -18.313 -10.890 1.00 0.00 H new ATOM 0 HG12 VAL B 61 -1.517 -19.457 -9.983 1.00 0.00 H new ATOM 0 HG13 VAL B 61 -1.351 -17.776 -9.423 1.00 0.00 H new ATOM 0 HG21 VAL B 61 1.677 -17.584 -9.979 1.00 0.00 H new ATOM 0 HG22 VAL B 61 0.919 -17.020 -8.471 1.00 0.00 H new ATOM 0 HG23 VAL B 61 2.248 -18.202 -8.411 1.00 0.00 H new ATOM 2143 N GLY B 62 -2.261 -20.453 -7.344 1.00 0.00 N ATOM 2144 CA GLY B 62 -3.234 -21.529 -7.412 1.00 0.00 C ATOM 2145 C GLY B 62 -3.549 -22.116 -6.051 1.00 0.00 C ATOM 2146 O GLY B 62 -4.467 -22.924 -5.915 1.00 0.00 O ATOM 0 H GLY B 62 -2.617 -19.576 -6.963 1.00 0.00 H new ATOM 0 HA2 GLY B 62 -4.153 -21.155 -7.864 1.00 0.00 H new ATOM 0 HA3 GLY B 62 -2.855 -22.316 -8.064 1.00 0.00 H new ATOM 2150 N ASP B 63 -2.786 -21.709 -5.041 1.00 0.00 N ATOM 2151 CA ASP B 63 -2.987 -22.201 -3.682 1.00 0.00 C ATOM 2152 C ASP B 63 -3.876 -21.255 -2.885 1.00 0.00 C ATOM 2153 O ASP B 63 -3.650 -20.046 -2.860 1.00 0.00 O ATOM 2154 CB ASP B 63 -1.642 -22.375 -2.977 1.00 0.00 C ATOM 2155 CG ASP B 63 -0.815 -23.492 -3.582 1.00 0.00 C ATOM 2156 OD1 ASP B 63 -0.313 -23.314 -4.711 1.00 0.00 O ATOM 2157 OD2 ASP B 63 -0.673 -24.547 -2.928 1.00 0.00 O ATOM 0 H ASP B 63 -2.023 -21.040 -5.138 1.00 0.00 H new ATOM 0 HA ASP B 63 -3.485 -23.169 -3.743 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -1.082 -21.441 -3.032 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -1.812 -22.583 -1.921 1.00 0.00 H new ATOM 2162 N LYS B 64 -4.888 -21.818 -2.230 1.00 0.00 N ATOM 2163 CA LYS B 64 -5.820 -21.030 -1.431 1.00 0.00 C ATOM 2164 C LYS B 64 -5.100 -20.322 -0.287 1.00 0.00 C ATOM 2165 O LYS B 64 -3.898 -20.500 -0.091 1.00 0.00 O ATOM 2166 CB LYS B 64 -6.927 -21.928 -0.878 1.00 0.00 C ATOM 2167 CG LYS B 64 -7.716 -22.653 -1.957 1.00 0.00 C ATOM 2168 CD LYS B 64 -8.798 -23.538 -1.360 1.00 0.00 C ATOM 2169 CE LYS B 64 -9.607 -24.234 -2.442 1.00 0.00 C ATOM 2170 NZ LYS B 64 -10.652 -25.125 -1.868 1.00 0.00 N ATOM 0 H LYS B 64 -5.083 -22.819 -2.237 1.00 0.00 H new ATOM 0 HA LYS B 64 -6.262 -20.271 -2.076 1.00 0.00 H new ATOM 0 HB2 LYS B 64 -6.485 -22.664 -0.206 1.00 0.00 H new ATOM 0 HB3 LYS B 64 -7.611 -21.323 -0.283 1.00 0.00 H new ATOM 0 HG2 LYS B 64 -8.171 -21.924 -2.628 1.00 0.00 H new ATOM 0 HG3 LYS B 64 -7.039 -23.260 -2.558 1.00 0.00 H new ATOM 0 HD2 LYS B 64 -8.342 -24.284 -0.709 1.00 0.00 H new ATOM 0 HD3 LYS B 64 -9.461 -22.936 -0.739 1.00 0.00 H new ATOM 0 HE2 LYS B 64 -10.078 -23.487 -3.080 1.00 0.00 H new ATOM 0 HE3 LYS B 64 -8.939 -24.819 -3.075 1.00 0.00 H new ATOM 0 HZ1 LYS B 64 -11.181 -25.581 -2.639 1.00 0.00 H new ATOM 0 HZ2 LYS B 64 -10.201 -25.854 -1.279 1.00 0.00 H new ATOM 0 HZ3 LYS B 64 -11.305 -24.564 -1.285 1.00 0.00 H new ATOM 2184 N VAL B 65 -5.847 -19.520 0.467 1.00 0.00 N ATOM 2185 CA VAL B 65 -5.285 -18.779 1.589 1.00 0.00 C ATOM 2186 C VAL B 65 -6.261 -18.747 2.763 1.00 0.00 C ATOM 2187 O VAL B 65 -7.462 -18.955 2.588 1.00 0.00 O ATOM 2188 CB VAL B 65 -4.935 -17.332 1.186 1.00 0.00 C ATOM 2189 CG1 VAL B 65 -6.191 -16.480 1.085 1.00 0.00 C ATOM 2190 CG2 VAL B 65 -3.945 -16.720 2.165 1.00 0.00 C ATOM 0 H VAL B 65 -6.845 -19.367 0.320 1.00 0.00 H new ATOM 0 HA VAL B 65 -4.373 -19.294 1.889 1.00 0.00 H new ATOM 0 HB VAL B 65 -4.464 -17.361 0.203 1.00 0.00 H new ATOM 0 HG11 VAL B 65 -5.919 -15.464 0.800 1.00 0.00 H new ATOM 0 HG12 VAL B 65 -6.858 -16.902 0.333 1.00 0.00 H new ATOM 0 HG13 VAL B 65 -6.697 -16.463 2.050 1.00 0.00 H new ATOM 0 HG21 VAL B 65 -3.714 -15.700 1.859 1.00 0.00 H new ATOM 0 HG22 VAL B 65 -4.381 -16.709 3.164 1.00 0.00 H new ATOM 0 HG23 VAL B 65 -3.030 -17.312 2.175 1.00 0.00 H new ATOM 2200 N LYS B 66 -5.740 -18.482 3.956 1.00 0.00 N ATOM 2201 CA LYS B 66 -6.570 -18.418 5.154 1.00 0.00 C ATOM 2202 C LYS B 66 -6.071 -17.338 6.106 1.00 0.00 C ATOM 2203 O LYS B 66 -4.898 -16.965 6.078 1.00 0.00 O ATOM 2204 CB LYS B 66 -6.589 -19.772 5.863 1.00 0.00 C ATOM 2205 CG LYS B 66 -7.205 -20.883 5.029 1.00 0.00 C ATOM 2206 CD LYS B 66 -7.207 -22.205 5.778 1.00 0.00 C ATOM 2207 CE LYS B 66 -7.798 -23.324 4.935 1.00 0.00 C ATOM 2208 NZ LYS B 66 -9.212 -23.050 4.558 1.00 0.00 N ATOM 0 H LYS B 66 -4.748 -18.308 4.120 1.00 0.00 H new ATOM 0 HA LYS B 66 -7.585 -18.164 4.847 1.00 0.00 H new ATOM 0 HB2 LYS B 66 -5.569 -20.050 6.127 1.00 0.00 H new ATOM 0 HB3 LYS B 66 -7.145 -19.677 6.796 1.00 0.00 H new ATOM 0 HG2 LYS B 66 -8.227 -20.614 4.760 1.00 0.00 H new ATOM 0 HG3 LYS B 66 -6.649 -20.992 4.098 1.00 0.00 H new ATOM 0 HD2 LYS B 66 -6.187 -22.464 6.064 1.00 0.00 H new ATOM 0 HD3 LYS B 66 -7.780 -22.101 6.699 1.00 0.00 H new ATOM 0 HE2 LYS B 66 -7.200 -23.453 4.033 1.00 0.00 H new ATOM 0 HE3 LYS B 66 -7.745 -24.262 5.488 1.00 0.00 H new ATOM 0 HZ1 LYS B 66 -9.640 -23.912 4.164 1.00 0.00 H new ATOM 0 HZ2 LYS B 66 -9.745 -22.753 5.400 1.00 0.00 H new ATOM 0 HZ3 LYS B 66 -9.241 -22.293 3.846 1.00 0.00 H new ATOM 2222 N THR B 67 -6.971 -16.839 6.947 1.00 0.00 N ATOM 2223 CA THR B 67 -6.626 -15.799 7.909 1.00 0.00 C ATOM 2224 C THR B 67 -5.617 -16.310 8.931 1.00 0.00 C ATOM 2225 O THR B 67 -5.803 -17.371 9.526 1.00 0.00 O ATOM 2226 CB THR B 67 -7.874 -15.283 8.648 1.00 0.00 C ATOM 2227 OG1 THR B 67 -8.518 -16.361 9.337 1.00 0.00 O ATOM 2228 CG2 THR B 67 -8.852 -14.644 7.673 1.00 0.00 C ATOM 0 H THR B 67 -7.945 -17.138 6.982 1.00 0.00 H new ATOM 0 HA THR B 67 -6.183 -14.979 7.345 1.00 0.00 H new ATOM 0 HB THR B 67 -7.556 -14.530 9.369 1.00 0.00 H new ATOM 0 HG1 THR B 67 -7.875 -17.086 9.484 1.00 0.00 H new ATOM 0 HG21 THR B 67 -9.726 -14.286 8.217 1.00 0.00 H new ATOM 0 HG22 THR B 67 -8.369 -13.806 7.170 1.00 0.00 H new ATOM 0 HG23 THR B 67 -9.162 -15.381 6.933 1.00 0.00 H new ATOM 2236 N GLY B 68 -4.546 -15.545 9.128 1.00 0.00 N ATOM 2237 CA GLY B 68 -3.521 -15.932 10.080 1.00 0.00 C ATOM 2238 C GLY B 68 -2.330 -16.592 9.412 1.00 0.00 C ATOM 2239 O GLY B 68 -1.325 -16.876 10.064 1.00 0.00 O ATOM 0 H GLY B 68 -4.371 -14.664 8.645 1.00 0.00 H new ATOM 0 HA2 GLY B 68 -3.185 -15.051 10.626 1.00 0.00 H new ATOM 0 HA3 GLY B 68 -3.949 -16.617 10.812 1.00 0.00 H new ATOM 2243 N SER B 69 -2.442 -16.835 8.110 1.00 0.00 N ATOM 2244 CA SER B 69 -1.366 -17.465 7.354 1.00 0.00 C ATOM 2245 C SER B 69 -0.500 -16.417 6.665 1.00 0.00 C ATOM 2246 O SER B 69 -1.011 -15.497 6.026 1.00 0.00 O ATOM 2247 CB SER B 69 -1.940 -18.431 6.317 1.00 0.00 C ATOM 2248 OG SER B 69 -0.908 -19.038 5.558 1.00 0.00 O ATOM 0 H SER B 69 -3.267 -16.605 7.557 1.00 0.00 H new ATOM 0 HA SER B 69 -0.743 -18.023 8.053 1.00 0.00 H new ATOM 0 HB2 SER B 69 -2.527 -19.200 6.818 1.00 0.00 H new ATOM 0 HB3 SER B 69 -2.617 -17.895 5.652 1.00 0.00 H new ATOM 0 HG SER B 69 -1.301 -19.652 4.903 1.00 0.00 H new ATOM 2254 N LEU B 70 0.815 -16.562 6.799 1.00 0.00 N ATOM 2255 CA LEU B 70 1.753 -15.629 6.186 1.00 0.00 C ATOM 2256 C LEU B 70 1.754 -15.780 4.669 1.00 0.00 C ATOM 2257 O LEU B 70 1.708 -16.895 4.148 1.00 0.00 O ATOM 2258 CB LEU B 70 3.164 -15.861 6.732 1.00 0.00 C ATOM 2259 CG LEU B 70 3.302 -15.742 8.252 1.00 0.00 C ATOM 2260 CD1 LEU B 70 4.713 -16.108 8.687 1.00 0.00 C ATOM 2261 CD2 LEU B 70 2.948 -14.336 8.714 1.00 0.00 C ATOM 0 H LEU B 70 1.254 -17.316 7.326 1.00 0.00 H new ATOM 0 HA LEU B 70 1.435 -14.616 6.434 1.00 0.00 H new ATOM 0 HB2 LEU B 70 3.494 -16.855 6.430 1.00 0.00 H new ATOM 0 HB3 LEU B 70 3.840 -15.145 6.265 1.00 0.00 H new ATOM 0 HG LEU B 70 2.605 -16.440 8.717 1.00 0.00 H new ATOM 0 HD11 LEU B 70 4.795 -16.018 9.770 1.00 0.00 H new ATOM 0 HD12 LEU B 70 4.931 -17.134 8.390 1.00 0.00 H new ATOM 0 HD13 LEU B 70 5.426 -15.434 8.212 1.00 0.00 H new ATOM 0 HD21 LEU B 70 3.052 -14.272 9.797 1.00 0.00 H new ATOM 0 HD22 LEU B 70 3.619 -13.618 8.242 1.00 0.00 H new ATOM 0 HD23 LEU B 70 1.919 -14.109 8.435 1.00 0.00 H new ATOM 2273 N ILE B 71 1.806 -14.655 3.966 1.00 0.00 N ATOM 2274 CA ILE B 71 1.810 -14.668 2.509 1.00 0.00 C ATOM 2275 C ILE B 71 3.192 -14.334 1.951 1.00 0.00 C ATOM 2276 O ILE B 71 3.728 -15.070 1.123 1.00 0.00 O ATOM 2277 CB ILE B 71 0.770 -13.684 1.930 1.00 0.00 C ATOM 2278 CG1 ILE B 71 0.917 -12.302 2.576 1.00 0.00 C ATOM 2279 CG2 ILE B 71 -0.636 -14.227 2.137 1.00 0.00 C ATOM 2280 CD1 ILE B 71 0.011 -11.248 1.974 1.00 0.00 C ATOM 0 H ILE B 71 1.846 -13.724 4.381 1.00 0.00 H new ATOM 0 HA ILE B 71 1.542 -15.680 2.205 1.00 0.00 H new ATOM 0 HB ILE B 71 0.948 -13.578 0.860 1.00 0.00 H new ATOM 0 HG12 ILE B 71 0.705 -12.385 3.642 1.00 0.00 H new ATOM 0 HG13 ILE B 71 1.953 -11.975 2.482 1.00 0.00 H new ATOM 0 HG21 ILE B 71 -1.361 -13.525 1.725 1.00 0.00 H new ATOM 0 HG22 ILE B 71 -0.733 -15.188 1.631 1.00 0.00 H new ATOM 0 HG23 ILE B 71 -0.822 -14.357 3.203 1.00 0.00 H new ATOM 0 HD11 ILE B 71 0.171 -10.297 2.482 1.00 0.00 H new ATOM 0 HD12 ILE B 71 0.238 -11.136 0.914 1.00 0.00 H new ATOM 0 HD13 ILE B 71 -1.029 -11.552 2.092 1.00 0.00 H new ATOM 2292 N MET B 72 3.766 -13.226 2.412 1.00 0.00 N ATOM 2293 CA MET B 72 5.085 -12.799 1.953 1.00 0.00 C ATOM 2294 C MET B 72 5.822 -12.020 3.038 1.00 0.00 C ATOM 2295 O MET B 72 5.213 -11.535 3.993 1.00 0.00 O ATOM 2296 CB MET B 72 4.962 -11.931 0.697 1.00 0.00 C ATOM 2297 CG MET B 72 4.546 -12.702 -0.545 1.00 0.00 C ATOM 2298 SD MET B 72 4.411 -11.645 -2.000 1.00 0.00 S ATOM 2299 CE MET B 72 3.984 -12.849 -3.256 1.00 0.00 C ATOM 0 H MET B 72 3.339 -12.608 3.102 1.00 0.00 H new ATOM 0 HA MET B 72 5.657 -13.697 1.718 1.00 0.00 H new ATOM 0 HB2 MET B 72 4.235 -11.141 0.883 1.00 0.00 H new ATOM 0 HB3 MET B 72 5.919 -11.445 0.508 1.00 0.00 H new ATOM 0 HG2 MET B 72 5.272 -13.491 -0.739 1.00 0.00 H new ATOM 0 HG3 MET B 72 3.588 -13.188 -0.363 1.00 0.00 H new ATOM 0 HE1 MET B 72 4.780 -12.898 -3.999 1.00 0.00 H new ATOM 0 HE2 MET B 72 3.859 -13.828 -2.794 1.00 0.00 H new ATOM 0 HE3 MET B 72 3.053 -12.555 -3.741 1.00 0.00 H new ATOM 2309 N ILE B 73 7.138 -11.907 2.882 1.00 0.00 N ATOM 2310 CA ILE B 73 7.969 -11.180 3.834 1.00 0.00 C ATOM 2311 C ILE B 73 8.959 -10.284 3.097 1.00 0.00 C ATOM 2312 O ILE B 73 9.687 -10.745 2.216 1.00 0.00 O ATOM 2313 CB ILE B 73 8.748 -12.137 4.760 1.00 0.00 C ATOM 2314 CG1 ILE B 73 7.802 -13.173 5.373 1.00 0.00 C ATOM 2315 CG2 ILE B 73 9.462 -11.352 5.852 1.00 0.00 C ATOM 2316 CD1 ILE B 73 8.515 -14.282 6.119 1.00 0.00 C ATOM 0 H ILE B 73 7.653 -12.312 2.101 1.00 0.00 H new ATOM 0 HA ILE B 73 7.302 -10.573 4.446 1.00 0.00 H new ATOM 0 HB ILE B 73 9.497 -12.663 4.168 1.00 0.00 H new ATOM 0 HG12 ILE B 73 7.118 -12.669 6.056 1.00 0.00 H new ATOM 0 HG13 ILE B 73 7.195 -13.612 4.581 1.00 0.00 H new ATOM 0 HG21 ILE B 73 10.007 -12.040 6.498 1.00 0.00 H new ATOM 0 HG22 ILE B 73 10.161 -10.650 5.398 1.00 0.00 H new ATOM 0 HG23 ILE B 73 8.729 -10.803 6.444 1.00 0.00 H new ATOM 0 HD11 ILE B 73 7.781 -14.978 6.525 1.00 0.00 H new ATOM 0 HD12 ILE B 73 9.178 -14.813 5.436 1.00 0.00 H new ATOM 0 HD13 ILE B 73 9.100 -13.855 6.934 1.00 0.00 H new ATOM 2328 N PHE B 74 8.988 -9.006 3.459 1.00 0.00 N ATOM 2329 CA PHE B 74 9.886 -8.055 2.814 1.00 0.00 C ATOM 2330 C PHE B 74 11.029 -7.668 3.745 1.00 0.00 C ATOM 2331 O PHE B 74 10.939 -7.840 4.958 1.00 0.00 O ATOM 2332 CB PHE B 74 9.120 -6.801 2.389 1.00 0.00 C ATOM 2333 CG PHE B 74 7.921 -7.084 1.530 1.00 0.00 C ATOM 2334 CD1 PHE B 74 8.073 -7.463 0.205 1.00 0.00 C ATOM 2335 CD2 PHE B 74 6.639 -6.964 2.045 1.00 0.00 C ATOM 2336 CE1 PHE B 74 6.971 -7.719 -0.588 1.00 0.00 C ATOM 2337 CE2 PHE B 74 5.533 -7.220 1.256 1.00 0.00 C ATOM 2338 CZ PHE B 74 5.699 -7.597 -0.062 1.00 0.00 C ATOM 0 H PHE B 74 8.403 -8.606 4.192 1.00 0.00 H new ATOM 0 HA PHE B 74 10.304 -8.536 1.930 1.00 0.00 H new ATOM 0 HB2 PHE B 74 8.797 -6.264 3.281 1.00 0.00 H new ATOM 0 HB3 PHE B 74 9.796 -6.140 1.846 1.00 0.00 H new ATOM 0 HD1 PHE B 74 9.065 -7.559 -0.212 1.00 0.00 H new ATOM 0 HD2 PHE B 74 6.503 -6.667 3.074 1.00 0.00 H new ATOM 0 HE1 PHE B 74 7.104 -8.014 -1.618 1.00 0.00 H new ATOM 0 HE2 PHE B 74 4.540 -7.125 1.670 1.00 0.00 H new ATOM 0 HZ PHE B 74 4.836 -7.796 -0.681 1.00 0.00 H new ATOM 2348 N GLU B 75 12.103 -7.150 3.160 1.00 0.00 N ATOM 2349 CA GLU B 75 13.268 -6.721 3.926 1.00 0.00 C ATOM 2350 C GLU B 75 13.861 -5.460 3.308 1.00 0.00 C ATOM 2351 O GLU B 75 14.684 -5.528 2.395 1.00 0.00 O ATOM 2352 CB GLU B 75 14.315 -7.838 3.975 1.00 0.00 C ATOM 2353 CG GLU B 75 15.470 -7.559 4.925 1.00 0.00 C ATOM 2354 CD GLU B 75 16.548 -6.695 4.302 1.00 0.00 C ATOM 2355 OE1 GLU B 75 17.354 -7.229 3.512 1.00 0.00 O ATOM 2356 OE2 GLU B 75 16.586 -5.483 4.603 1.00 0.00 O ATOM 0 H GLU B 75 12.191 -7.016 2.153 1.00 0.00 H new ATOM 0 HA GLU B 75 12.957 -6.498 4.947 1.00 0.00 H new ATOM 0 HB2 GLU B 75 13.828 -8.766 4.274 1.00 0.00 H new ATOM 0 HB3 GLU B 75 14.712 -7.995 2.972 1.00 0.00 H new ATOM 0 HG2 GLU B 75 15.088 -7.067 5.819 1.00 0.00 H new ATOM 0 HG3 GLU B 75 15.908 -8.505 5.244 1.00 0.00 H new ATOM 2363 N VAL B 76 13.427 -4.312 3.811 1.00 0.00 N ATOM 2364 CA VAL B 76 13.893 -3.026 3.309 1.00 0.00 C ATOM 2365 C VAL B 76 15.204 -2.618 3.971 1.00 0.00 C ATOM 2366 O VAL B 76 15.547 -3.110 5.045 1.00 0.00 O ATOM 2367 CB VAL B 76 12.829 -1.931 3.539 1.00 0.00 C ATOM 2368 CG1 VAL B 76 11.449 -2.462 3.190 1.00 0.00 C ATOM 2369 CG2 VAL B 76 12.855 -1.431 4.975 1.00 0.00 C ATOM 0 H VAL B 76 12.749 -4.245 4.570 1.00 0.00 H new ATOM 0 HA VAL B 76 14.065 -3.135 2.238 1.00 0.00 H new ATOM 0 HB VAL B 76 13.062 -1.089 2.887 1.00 0.00 H new ATOM 0 HG11 VAL B 76 10.706 -1.682 3.356 1.00 0.00 H new ATOM 0 HG12 VAL B 76 11.430 -2.765 2.143 1.00 0.00 H new ATOM 0 HG13 VAL B 76 11.220 -3.321 3.820 1.00 0.00 H new ATOM 0 HG21 VAL B 76 12.095 -0.661 5.106 1.00 0.00 H new ATOM 0 HG22 VAL B 76 12.652 -2.260 5.653 1.00 0.00 H new ATOM 0 HG23 VAL B 76 13.837 -1.013 5.197 1.00 0.00 H new