USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 452 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 53 LYS NZ :NH3+ 159:sc= -1.44 (180deg=-2.23!) USER MOD Set 1.2: A 95 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 79 THR OG1 : rot 180:sc= 0.986 USER MOD Set 2.2: A 82 GLN :FLIP amide:sc= -3.36! C(o=-3.2!,f=-2.4!) USER MOD Set 3.1: A 55 MET CE :methyl -125:sc= -0.753 (180deg=-0.177) USER MOD Set 3.2: A 72 LYS NZ :NH3+ -125:sc= -1.36 (180deg=-1.7!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN :FLIP amide:sc= 0.0392 F(o=-2!,f=0.039) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -27:sc= 0.162 USER MOD Single : A 71 LYS NZ :NH3+ 161:sc= -0.0343 (180deg=-0.266) USER MOD Single : A 76 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00491) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -167:sc= -4.69! (180deg=-5.59!) USER MOD Single : A 84 SER OG : rot -93:sc= 1.15 USER MOD Single : A 85 ASN : amide:sc= -0.168 K(o=-0.17,f=-2.4!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= -0.204 USER MOD Single : A 100 ASN : amide:sc= -0.0282 K(o=-0.028,f=-1.6!) USER MOD Single : A 102 TYR OH : rot -170:sc= 1.33 USER MOD Single : A 105 HIS : no HE2:sc= -0.0919 K(o=-0.092,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 663 N LEU A 47 12.851 12.434 1.744 1.00 0.00 N ATOM 664 CA LEU A 47 13.667 13.636 1.875 1.00 0.00 C ATOM 665 C LEU A 47 14.228 14.064 0.523 1.00 0.00 C ATOM 666 O LEU A 47 13.966 15.172 0.055 1.00 0.00 O ATOM 667 CB LEU A 47 14.811 13.395 2.862 1.00 0.00 C ATOM 668 CG LEU A 47 14.451 13.494 4.344 1.00 0.00 C ATOM 669 CD1 LEU A 47 15.432 12.694 5.187 1.00 0.00 C ATOM 670 CD2 LEU A 47 14.425 14.949 4.790 1.00 0.00 C ATOM 0 HA LEU A 47 13.032 14.437 2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 47 15.223 12.404 2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.603 14.114 2.652 1.00 0.00 H new ATOM 0 HG LEU A 47 13.456 13.073 4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.159 12.777 6.239 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.401 11.647 4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 47 16.439 13.084 5.042 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.167 15.001 5.848 1.00 0.00 H new ATOM 0 HD22 LEU A 47 15.407 15.395 4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.682 15.495 4.208 1.00 0.00 H new ATOM 682 N GLU A 48 14.997 13.178 -0.100 1.00 0.00 N ATOM 683 CA GLU A 48 15.594 13.465 -1.399 1.00 0.00 C ATOM 684 C GLU A 48 14.605 14.197 -2.302 1.00 0.00 C ATOM 685 O GLU A 48 14.903 15.268 -2.830 1.00 0.00 O ATOM 686 CB GLU A 48 16.053 12.169 -2.072 1.00 0.00 C ATOM 687 CG GLU A 48 16.770 12.390 -3.393 1.00 0.00 C ATOM 688 CD GLU A 48 18.266 12.573 -3.220 1.00 0.00 C ATOM 689 OE1 GLU A 48 18.990 11.556 -3.213 1.00 0.00 O ATOM 690 OE2 GLU A 48 18.711 13.733 -3.093 1.00 0.00 O ATOM 0 H GLU A 48 15.222 12.256 0.273 1.00 0.00 H new ATOM 0 HA GLU A 48 16.459 14.109 -1.239 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.716 11.632 -1.394 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.186 11.531 -2.241 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.585 11.540 -4.049 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.354 13.269 -3.885 1.00 0.00 H new ATOM 697 N LYS A 49 13.425 13.610 -2.476 1.00 0.00 N ATOM 698 CA LYS A 49 12.391 14.204 -3.314 1.00 0.00 C ATOM 699 C LYS A 49 11.973 15.569 -2.776 1.00 0.00 C ATOM 700 O LYS A 49 11.718 16.498 -3.543 1.00 0.00 O ATOM 701 CB LYS A 49 11.173 13.280 -3.389 1.00 0.00 C ATOM 702 CG LYS A 49 10.238 13.599 -4.542 1.00 0.00 C ATOM 703 CD LYS A 49 9.209 12.500 -4.747 1.00 0.00 C ATOM 704 CE LYS A 49 8.300 12.800 -5.929 1.00 0.00 C ATOM 705 NZ LYS A 49 7.242 13.788 -5.578 1.00 0.00 N ATOM 0 H LYS A 49 13.162 12.723 -2.047 1.00 0.00 H new ATOM 0 HA LYS A 49 12.801 14.337 -4.315 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.515 12.249 -3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.618 13.347 -2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.729 14.543 -4.348 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.818 13.731 -5.456 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.718 11.550 -4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.609 12.389 -3.844 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.896 13.184 -6.757 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.835 11.876 -6.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.643 13.966 -6.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.657 13.411 -4.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.685 14.678 -5.274 1.00 0.00 H new ATOM 719 N ALA A 50 11.905 15.684 -1.454 1.00 0.00 N ATOM 720 CA ALA A 50 11.522 16.937 -0.814 1.00 0.00 C ATOM 721 C ALA A 50 12.465 18.067 -1.212 1.00 0.00 C ATOM 722 O ALA A 50 12.025 19.165 -1.550 1.00 0.00 O ATOM 723 CB ALA A 50 11.500 16.772 0.698 1.00 0.00 C ATOM 0 H ALA A 50 12.110 14.924 -0.805 1.00 0.00 H new ATOM 0 HA ALA A 50 10.520 17.199 -1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.213 17.715 1.163 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.780 16.000 0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.491 16.483 1.047 1.00 0.00 H new ATOM 729 N ALA A 51 13.765 17.791 -1.167 1.00 0.00 N ATOM 730 CA ALA A 51 14.770 18.784 -1.524 1.00 0.00 C ATOM 731 C ALA A 51 14.549 19.304 -2.941 1.00 0.00 C ATOM 732 O ALA A 51 14.284 20.489 -3.144 1.00 0.00 O ATOM 733 CB ALA A 51 16.166 18.195 -1.387 1.00 0.00 C ATOM 0 H ALA A 51 14.146 16.887 -0.887 1.00 0.00 H new ATOM 0 HA ALA A 51 14.674 19.625 -0.838 1.00 0.00 H new ATOM 0 HB1 ALA A 51 16.907 18.948 -1.657 1.00 0.00 H new ATOM 0 HB2 ALA A 51 16.328 17.879 -0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 51 16.265 17.335 -2.050 1.00 0.00 H new ATOM 739 N VAL A 52 14.661 18.410 -3.918 1.00 0.00 N ATOM 740 CA VAL A 52 14.474 18.778 -5.316 1.00 0.00 C ATOM 741 C VAL A 52 13.179 19.559 -5.510 1.00 0.00 C ATOM 742 O VAL A 52 13.185 20.672 -6.037 1.00 0.00 O ATOM 743 CB VAL A 52 14.451 17.535 -6.226 1.00 0.00 C ATOM 744 CG1 VAL A 52 14.303 17.943 -7.684 1.00 0.00 C ATOM 745 CG2 VAL A 52 15.709 16.704 -6.022 1.00 0.00 C ATOM 0 H VAL A 52 14.880 17.425 -3.767 1.00 0.00 H new ATOM 0 HA VAL A 52 15.320 19.407 -5.593 1.00 0.00 H new ATOM 0 HB VAL A 52 13.590 16.924 -5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.289 17.052 -8.312 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.372 18.494 -7.815 1.00 0.00 H new ATOM 0 HG13 VAL A 52 15.142 18.576 -7.972 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.677 15.830 -6.672 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.585 17.305 -6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.767 16.381 -4.983 1.00 0.00 H new ATOM 755 N LYS A 53 12.069 18.970 -5.079 1.00 0.00 N ATOM 756 CA LYS A 53 10.765 19.611 -5.202 1.00 0.00 C ATOM 757 C LYS A 53 10.781 21.003 -4.578 1.00 0.00 C ATOM 758 O LYS A 53 10.351 21.976 -5.197 1.00 0.00 O ATOM 759 CB LYS A 53 9.687 18.753 -4.534 1.00 0.00 C ATOM 760 CG LYS A 53 9.178 17.624 -5.412 1.00 0.00 C ATOM 761 CD LYS A 53 8.308 18.145 -6.543 1.00 0.00 C ATOM 762 CE LYS A 53 6.851 18.258 -6.120 1.00 0.00 C ATOM 763 NZ LYS A 53 6.662 19.274 -5.048 1.00 0.00 N ATOM 0 H LYS A 53 12.046 18.049 -4.641 1.00 0.00 H new ATOM 0 HA LYS A 53 10.536 19.711 -6.263 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.089 18.332 -3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.849 19.391 -4.254 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.023 17.074 -5.826 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.606 16.921 -4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.672 19.121 -6.863 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.388 17.478 -7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.242 18.524 -6.984 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.499 17.288 -5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.669 19.581 -5.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.911 18.858 -4.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.275 20.093 -5.234 1.00 0.00 H new ATOM 777 N LYS A 54 11.281 21.090 -3.350 1.00 0.00 N ATOM 778 CA LYS A 54 11.356 22.363 -2.643 1.00 0.00 C ATOM 779 C LYS A 54 11.937 23.450 -3.541 1.00 0.00 C ATOM 780 O LYS A 54 11.324 24.499 -3.739 1.00 0.00 O ATOM 781 CB LYS A 54 12.209 22.219 -1.381 1.00 0.00 C ATOM 782 CG LYS A 54 11.412 21.825 -0.150 1.00 0.00 C ATOM 783 CD LYS A 54 12.154 22.173 1.130 1.00 0.00 C ATOM 784 CE LYS A 54 11.228 22.143 2.336 1.00 0.00 C ATOM 785 NZ LYS A 54 10.941 20.752 2.782 1.00 0.00 N ATOM 0 H LYS A 54 11.640 20.294 -2.824 1.00 0.00 H new ATOM 0 HA LYS A 54 10.344 22.653 -2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.982 21.471 -1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.718 23.163 -1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.448 22.333 -0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.209 20.754 -0.174 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.972 21.469 1.281 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.599 23.164 1.036 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.681 22.701 3.156 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.293 22.645 2.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.307 20.775 3.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.485 20.227 2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.830 20.281 3.043 1.00 0.00 H new ATOM 799 N MET A 55 13.123 23.193 -4.083 1.00 0.00 N ATOM 800 CA MET A 55 13.785 24.150 -4.962 1.00 0.00 C ATOM 801 C MET A 55 12.841 24.619 -6.064 1.00 0.00 C ATOM 802 O MET A 55 12.791 25.805 -6.389 1.00 0.00 O ATOM 803 CB MET A 55 15.038 23.525 -5.579 1.00 0.00 C ATOM 804 CG MET A 55 16.055 23.059 -4.550 1.00 0.00 C ATOM 805 SD MET A 55 17.246 24.342 -4.119 1.00 0.00 S ATOM 806 CE MET A 55 18.775 23.579 -4.655 1.00 0.00 C ATOM 0 H MET A 55 13.645 22.330 -3.929 1.00 0.00 H new ATOM 0 HA MET A 55 14.075 25.014 -4.365 1.00 0.00 H new ATOM 0 HB2 MET A 55 14.744 22.677 -6.197 1.00 0.00 H new ATOM 0 HB3 MET A 55 15.509 24.253 -6.240 1.00 0.00 H new ATOM 0 HG2 MET A 55 15.533 22.736 -3.649 1.00 0.00 H new ATOM 0 HG3 MET A 55 16.587 22.191 -4.938 1.00 0.00 H new ATOM 0 HE1 MET A 55 19.480 23.555 -3.824 1.00 0.00 H new ATOM 0 HE2 MET A 55 18.576 22.562 -4.991 1.00 0.00 H new ATOM 0 HE3 MET A 55 19.201 24.155 -5.476 1.00 0.00 H new ATOM 816 N ALA A 56 12.094 23.680 -6.637 1.00 0.00 N ATOM 817 CA ALA A 56 11.151 23.999 -7.701 1.00 0.00 C ATOM 818 C ALA A 56 10.225 25.139 -7.291 1.00 0.00 C ATOM 819 O ALA A 56 10.182 26.183 -7.942 1.00 0.00 O ATOM 820 CB ALA A 56 10.341 22.766 -8.074 1.00 0.00 C ATOM 0 H ALA A 56 12.124 22.693 -6.382 1.00 0.00 H new ATOM 0 HA ALA A 56 11.720 24.324 -8.572 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.640 23.018 -8.870 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.013 21.980 -8.418 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.789 22.416 -7.202 1.00 0.00 H new ATOM 826 N LYS A 57 9.483 24.932 -6.208 1.00 0.00 N ATOM 827 CA LYS A 57 8.557 25.942 -5.710 1.00 0.00 C ATOM 828 C LYS A 57 9.174 27.334 -5.794 1.00 0.00 C ATOM 829 O LYS A 57 8.645 28.218 -6.468 1.00 0.00 O ATOM 830 CB LYS A 57 8.164 25.634 -4.263 1.00 0.00 C ATOM 831 CG LYS A 57 7.450 24.303 -4.097 1.00 0.00 C ATOM 832 CD LYS A 57 7.632 23.744 -2.696 1.00 0.00 C ATOM 833 CE LYS A 57 6.855 24.553 -1.668 1.00 0.00 C ATOM 834 NZ LYS A 57 5.463 24.051 -1.505 1.00 0.00 N ATOM 0 H LYS A 57 9.505 24.073 -5.658 1.00 0.00 H new ATOM 0 HA LYS A 57 7.664 25.921 -6.335 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.061 25.635 -3.644 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.520 26.431 -3.893 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.387 24.431 -4.304 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.833 23.590 -4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.299 22.706 -2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.691 23.746 -2.437 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.371 24.512 -0.709 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.830 25.599 -1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.967 24.628 -0.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.963 24.114 -2.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.486 23.060 -1.190 1.00 0.00 H new ATOM 848 N ALA A 58 10.296 27.522 -5.108 1.00 0.00 N ATOM 849 CA ALA A 58 10.986 28.806 -5.108 1.00 0.00 C ATOM 850 C ALA A 58 11.043 29.398 -6.513 1.00 0.00 C ATOM 851 O ALA A 58 10.818 30.593 -6.702 1.00 0.00 O ATOM 852 CB ALA A 58 12.390 28.651 -4.542 1.00 0.00 C ATOM 0 H ALA A 58 10.747 26.801 -4.545 1.00 0.00 H new ATOM 0 HA ALA A 58 10.424 29.492 -4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.894 29.618 -4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.331 28.279 -3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.953 27.945 -5.153 1.00 0.00 H new ATOM 858 N ILE A 59 11.346 28.554 -7.493 1.00 0.00 N ATOM 859 CA ILE A 59 11.432 28.995 -8.880 1.00 0.00 C ATOM 860 C ILE A 59 10.074 29.456 -9.395 1.00 0.00 C ATOM 861 O ILE A 59 9.930 30.581 -9.874 1.00 0.00 O ATOM 862 CB ILE A 59 11.962 27.874 -9.795 1.00 0.00 C ATOM 863 CG1 ILE A 59 13.329 27.390 -9.306 1.00 0.00 C ATOM 864 CG2 ILE A 59 12.051 28.363 -11.233 1.00 0.00 C ATOM 865 CD1 ILE A 59 13.734 26.048 -9.875 1.00 0.00 C ATOM 0 H ILE A 59 11.536 27.562 -7.353 1.00 0.00 H new ATOM 0 HA ILE A 59 12.130 29.832 -8.903 1.00 0.00 H new ATOM 0 HB ILE A 59 11.266 27.036 -9.759 1.00 0.00 H new ATOM 0 HG12 ILE A 59 14.084 28.131 -9.571 1.00 0.00 H new ATOM 0 HG13 ILE A 59 13.314 27.325 -8.218 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.427 27.560 -11.868 1.00 0.00 H new ATOM 0 HG22 ILE A 59 11.061 28.664 -11.577 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.729 29.215 -11.286 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.713 25.768 -9.485 1.00 0.00 H new ATOM 0 HD12 ILE A 59 13.000 25.295 -9.588 1.00 0.00 H new ATOM 0 HD13 ILE A 59 13.781 26.113 -10.962 1.00 0.00 H new ATOM 877 N MET A 60 9.079 28.581 -9.292 1.00 0.00 N ATOM 878 CA MET A 60 7.730 28.900 -9.745 1.00 0.00 C ATOM 879 C MET A 60 7.363 30.337 -9.389 1.00 0.00 C ATOM 880 O MET A 60 6.836 31.077 -10.219 1.00 0.00 O ATOM 881 CB MET A 60 6.719 27.934 -9.125 1.00 0.00 C ATOM 882 CG MET A 60 6.953 26.482 -9.507 1.00 0.00 C ATOM 883 SD MET A 60 6.235 26.059 -11.106 1.00 0.00 S ATOM 884 CE MET A 60 4.587 25.559 -10.617 1.00 0.00 C ATOM 0 H MET A 60 9.182 27.645 -8.899 1.00 0.00 H new ATOM 0 HA MET A 60 7.703 28.795 -10.830 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.759 28.027 -8.040 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.715 28.225 -9.433 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.025 26.285 -9.531 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.527 25.835 -8.740 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.018 25.267 -11.500 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.652 24.714 -9.931 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.086 26.391 -10.121 1.00 0.00 H new ATOM 894 N ALA A 61 7.644 30.725 -8.149 1.00 0.00 N ATOM 895 CA ALA A 61 7.345 32.074 -7.684 1.00 0.00 C ATOM 896 C ALA A 61 8.260 33.098 -8.346 1.00 0.00 C ATOM 897 O ALA A 61 7.805 33.947 -9.113 1.00 0.00 O ATOM 898 CB ALA A 61 7.472 32.150 -6.170 1.00 0.00 C ATOM 0 H ALA A 61 8.078 30.124 -7.449 1.00 0.00 H new ATOM 0 HA ALA A 61 6.318 32.309 -7.964 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.246 33.163 -5.836 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.772 31.452 -5.711 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.489 31.890 -5.877 1.00 0.00 H new ATOM 904 N ASP A 62 9.551 33.014 -8.044 1.00 0.00 N ATOM 905 CA ASP A 62 10.530 33.934 -8.610 1.00 0.00 C ATOM 906 C ASP A 62 11.307 33.271 -9.744 1.00 0.00 C ATOM 907 O ASP A 62 11.957 32.241 -9.564 1.00 0.00 O ATOM 908 CB ASP A 62 11.497 34.415 -7.526 1.00 0.00 C ATOM 909 CG ASP A 62 12.307 35.619 -7.965 1.00 0.00 C ATOM 910 OD1 ASP A 62 11.704 36.586 -8.475 1.00 0.00 O ATOM 911 OD2 ASP A 62 13.544 35.593 -7.799 1.00 0.00 O ATOM 0 H ASP A 62 9.944 32.318 -7.410 1.00 0.00 H new ATOM 0 HA ASP A 62 9.993 34.792 -9.014 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.934 34.668 -6.627 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.174 33.603 -7.261 1.00 0.00 H new ATOM 916 N PRO A 63 11.238 33.874 -10.940 1.00 0.00 N ATOM 917 CA PRO A 63 11.928 33.359 -12.126 1.00 0.00 C ATOM 918 C PRO A 63 13.442 33.510 -12.028 1.00 0.00 C ATOM 919 O PRO A 63 14.190 32.825 -12.723 1.00 0.00 O ATOM 920 CB PRO A 63 11.377 34.226 -13.261 1.00 0.00 C ATOM 921 CG PRO A 63 10.955 35.493 -12.600 1.00 0.00 C ATOM 922 CD PRO A 63 10.482 35.105 -11.226 1.00 0.00 C ATOM 0 HA PRO A 63 11.758 32.291 -12.265 1.00 0.00 H new ATOM 0 HB2 PRO A 63 12.135 34.410 -14.022 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.537 33.740 -13.758 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.784 36.198 -12.543 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.160 35.981 -13.163 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.692 35.885 -10.494 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.406 34.930 -11.206 1.00 0.00 H new ATOM 930 N ASN A 64 13.887 34.413 -11.159 1.00 0.00 N ATOM 931 CA ASN A 64 15.313 34.654 -10.970 1.00 0.00 C ATOM 932 C ASN A 64 15.961 33.506 -10.201 1.00 0.00 C ATOM 933 O ASN A 64 17.186 33.395 -10.145 1.00 0.00 O ATOM 934 CB ASN A 64 15.534 35.971 -10.223 1.00 0.00 C ATOM 935 CG ASN A 64 14.754 37.119 -10.834 1.00 0.00 C ATOM 936 OD1 ASN A 64 13.484 37.234 -10.463 1.00 0.00 O flip ATOM 937 ND2 ASN A 64 15.288 37.894 -11.628 1.00 0.00 N flip ATOM 0 H ASN A 64 13.281 34.989 -10.575 1.00 0.00 H new ATOM 0 HA ASN A 64 15.779 34.719 -11.953 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.239 35.849 -9.181 1.00 0.00 H new ATOM 0 HB3 ASN A 64 16.597 36.214 -10.227 1.00 0.00 H new ATOM 0 HD21 ASN A 64 16.267 37.767 -11.884 1.00 0.00 H new ATOM 0 HD22 ASN A 64 14.751 38.663 -12.029 1.00 0.00 H new ATOM 944 N LYS A 65 15.131 32.653 -9.611 1.00 0.00 N ATOM 945 CA LYS A 65 15.621 31.512 -8.847 1.00 0.00 C ATOM 946 C LYS A 65 15.976 30.351 -9.771 1.00 0.00 C ATOM 947 O LYS A 65 16.951 29.637 -9.539 1.00 0.00 O ATOM 948 CB LYS A 65 14.570 31.064 -7.829 1.00 0.00 C ATOM 949 CG LYS A 65 14.570 31.887 -6.553 1.00 0.00 C ATOM 950 CD LYS A 65 15.729 31.509 -5.646 1.00 0.00 C ATOM 951 CE LYS A 65 16.177 32.687 -4.795 1.00 0.00 C ATOM 952 NZ LYS A 65 15.323 32.856 -3.587 1.00 0.00 N ATOM 0 H LYS A 65 14.115 32.730 -9.647 1.00 0.00 H new ATOM 0 HA LYS A 65 16.522 31.821 -8.317 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.583 31.122 -8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.743 30.018 -7.577 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.632 32.946 -6.802 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.629 31.739 -6.023 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.432 30.683 -4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 65 16.565 31.156 -6.250 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.213 32.541 -4.490 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.146 33.599 -5.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.661 33.669 -3.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.338 33.021 -3.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.372 31.996 -3.004 1.00 0.00 H new ATOM 966 N ALA A 66 15.180 30.170 -10.820 1.00 0.00 N ATOM 967 CA ALA A 66 15.414 29.099 -11.780 1.00 0.00 C ATOM 968 C ALA A 66 16.891 29.003 -12.148 1.00 0.00 C ATOM 969 O ALA A 66 17.550 28.006 -11.852 1.00 0.00 O ATOM 970 CB ALA A 66 14.570 29.315 -13.027 1.00 0.00 C ATOM 0 H ALA A 66 14.368 30.751 -11.026 1.00 0.00 H new ATOM 0 HA ALA A 66 15.121 28.158 -11.315 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.755 28.508 -13.736 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.515 29.325 -12.755 1.00 0.00 H new ATOM 0 HB3 ALA A 66 14.835 30.268 -13.485 1.00 0.00 H new ATOM 976 N ASP A 67 17.403 30.044 -12.794 1.00 0.00 N ATOM 977 CA ASP A 67 18.803 30.078 -13.202 1.00 0.00 C ATOM 978 C ASP A 67 19.700 29.499 -12.112 1.00 0.00 C ATOM 979 O ASP A 67 20.414 28.522 -12.338 1.00 0.00 O ATOM 980 CB ASP A 67 19.229 31.511 -13.522 1.00 0.00 C ATOM 981 CG ASP A 67 20.401 31.566 -14.482 1.00 0.00 C ATOM 982 OD1 ASP A 67 20.331 30.909 -15.541 1.00 0.00 O ATOM 983 OD2 ASP A 67 21.388 32.266 -14.173 1.00 0.00 O ATOM 0 H ASP A 67 16.870 30.876 -13.047 1.00 0.00 H new ATOM 0 HA ASP A 67 18.910 29.467 -14.099 1.00 0.00 H new ATOM 0 HB2 ASP A 67 18.385 32.050 -13.952 1.00 0.00 H new ATOM 0 HB3 ASP A 67 19.496 32.023 -12.597 1.00 0.00 H new ATOM 988 N GLU A 68 19.658 30.108 -10.932 1.00 0.00 N ATOM 989 CA GLU A 68 20.470 29.654 -9.809 1.00 0.00 C ATOM 990 C GLU A 68 20.252 28.166 -9.548 1.00 0.00 C ATOM 991 O GLU A 68 21.170 27.358 -9.692 1.00 0.00 O ATOM 992 CB GLU A 68 20.135 30.458 -8.551 1.00 0.00 C ATOM 993 CG GLU A 68 20.247 31.961 -8.741 1.00 0.00 C ATOM 994 CD GLU A 68 21.685 32.439 -8.773 1.00 0.00 C ATOM 995 OE1 GLU A 68 22.524 31.758 -9.398 1.00 0.00 O ATOM 996 OE2 GLU A 68 21.972 33.497 -8.173 1.00 0.00 O ATOM 0 H GLU A 68 19.071 30.917 -10.728 1.00 0.00 H new ATOM 0 HA GLU A 68 21.518 29.812 -10.064 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.121 30.215 -8.234 1.00 0.00 H new ATOM 0 HB3 GLU A 68 20.803 30.151 -7.746 1.00 0.00 H new ATOM 0 HG2 GLU A 68 19.753 32.244 -9.671 1.00 0.00 H new ATOM 0 HG3 GLU A 68 19.718 32.466 -7.933 1.00 0.00 H new ATOM 1003 N VAL A 69 19.030 27.811 -9.162 1.00 0.00 N ATOM 1004 CA VAL A 69 18.691 26.421 -8.880 1.00 0.00 C ATOM 1005 C VAL A 69 19.316 25.484 -9.908 1.00 0.00 C ATOM 1006 O VAL A 69 20.147 24.641 -9.570 1.00 0.00 O ATOM 1007 CB VAL A 69 17.166 26.208 -8.868 1.00 0.00 C ATOM 1008 CG1 VAL A 69 16.835 24.729 -8.736 1.00 0.00 C ATOM 1009 CG2 VAL A 69 16.525 27.008 -7.744 1.00 0.00 C ATOM 0 H VAL A 69 18.259 28.467 -9.038 1.00 0.00 H new ATOM 0 HA VAL A 69 19.091 26.191 -7.892 1.00 0.00 H new ATOM 0 HB VAL A 69 16.759 26.564 -9.814 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.753 24.598 -8.729 1.00 0.00 H new ATOM 0 HG12 VAL A 69 17.262 24.184 -9.578 1.00 0.00 H new ATOM 0 HG13 VAL A 69 17.253 24.344 -7.806 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.447 26.846 -7.751 1.00 0.00 H new ATOM 0 HG22 VAL A 69 16.935 26.684 -6.787 1.00 0.00 H new ATOM 0 HG23 VAL A 69 16.733 28.068 -7.888 1.00 0.00 H new ATOM 1019 N TYR A 70 18.911 25.638 -11.164 1.00 0.00 N ATOM 1020 CA TYR A 70 19.430 24.804 -12.241 1.00 0.00 C ATOM 1021 C TYR A 70 20.909 24.496 -12.028 1.00 0.00 C ATOM 1022 O TYR A 70 21.327 23.338 -12.067 1.00 0.00 O ATOM 1023 CB TYR A 70 19.231 25.496 -13.591 1.00 0.00 C ATOM 1024 CG TYR A 70 17.779 25.719 -13.949 1.00 0.00 C ATOM 1025 CD1 TYR A 70 16.824 24.741 -13.701 1.00 0.00 C ATOM 1026 CD2 TYR A 70 17.362 26.908 -14.535 1.00 0.00 C ATOM 1027 CE1 TYR A 70 15.496 24.940 -14.027 1.00 0.00 C ATOM 1028 CE2 TYR A 70 16.037 27.116 -14.862 1.00 0.00 C ATOM 1029 CZ TYR A 70 15.108 26.130 -14.607 1.00 0.00 C ATOM 1030 OH TYR A 70 13.786 26.333 -14.933 1.00 0.00 O ATOM 0 H TYR A 70 18.225 26.332 -11.461 1.00 0.00 H new ATOM 0 HA TYR A 70 18.878 23.864 -12.237 1.00 0.00 H new ATOM 0 HB2 TYR A 70 19.745 26.457 -13.576 1.00 0.00 H new ATOM 0 HB3 TYR A 70 19.701 24.896 -14.370 1.00 0.00 H new ATOM 0 HD1 TYR A 70 17.125 23.809 -13.246 1.00 0.00 H new ATOM 0 HD2 TYR A 70 18.087 27.683 -14.738 1.00 0.00 H new ATOM 0 HE1 TYR A 70 14.766 24.169 -13.829 1.00 0.00 H new ATOM 0 HE2 TYR A 70 15.730 28.047 -15.315 1.00 0.00 H new ATOM 0 HH TYR A 70 13.355 25.470 -15.104 1.00 0.00 H new ATOM 1040 N LYS A 71 21.697 25.541 -11.801 1.00 0.00 N ATOM 1041 CA LYS A 71 23.130 25.385 -11.579 1.00 0.00 C ATOM 1042 C LYS A 71 23.400 24.531 -10.345 1.00 0.00 C ATOM 1043 O LYS A 71 24.287 23.678 -10.349 1.00 0.00 O ATOM 1044 CB LYS A 71 23.794 26.755 -11.419 1.00 0.00 C ATOM 1045 CG LYS A 71 23.688 27.631 -12.655 1.00 0.00 C ATOM 1046 CD LYS A 71 23.840 29.103 -12.311 1.00 0.00 C ATOM 1047 CE LYS A 71 25.304 29.496 -12.180 1.00 0.00 C ATOM 1048 NZ LYS A 71 25.997 29.498 -13.498 1.00 0.00 N ATOM 0 H LYS A 71 21.368 26.506 -11.766 1.00 0.00 H new ATOM 0 HA LYS A 71 23.554 24.881 -12.448 1.00 0.00 H new ATOM 0 HB2 LYS A 71 23.338 27.274 -10.576 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.847 26.613 -11.174 1.00 0.00 H new ATOM 0 HG2 LYS A 71 24.456 27.343 -13.373 1.00 0.00 H new ATOM 0 HG3 LYS A 71 22.724 27.467 -13.137 1.00 0.00 H new ATOM 0 HD2 LYS A 71 23.367 29.709 -13.084 1.00 0.00 H new ATOM 0 HD3 LYS A 71 23.320 29.315 -11.377 1.00 0.00 H new ATOM 0 HE2 LYS A 71 25.375 30.486 -11.730 1.00 0.00 H new ATOM 0 HE3 LYS A 71 25.807 28.803 -11.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 26.868 30.063 -13.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 26.237 28.522 -13.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 25.371 29.911 -14.219 1.00 0.00 H new ATOM 1062 N LYS A 72 22.627 24.763 -9.289 1.00 0.00 N ATOM 1063 CA LYS A 72 22.780 24.013 -8.048 1.00 0.00 C ATOM 1064 C LYS A 72 22.474 22.535 -8.265 1.00 0.00 C ATOM 1065 O LYS A 72 23.233 21.665 -7.836 1.00 0.00 O ATOM 1066 CB LYS A 72 21.858 24.582 -6.967 1.00 0.00 C ATOM 1067 CG LYS A 72 22.147 26.034 -6.624 1.00 0.00 C ATOM 1068 CD LYS A 72 21.246 26.532 -5.507 1.00 0.00 C ATOM 1069 CE LYS A 72 21.872 26.300 -4.140 1.00 0.00 C ATOM 1070 NZ LYS A 72 21.818 24.866 -3.742 1.00 0.00 N ATOM 0 H LYS A 72 21.888 25.465 -9.268 1.00 0.00 H new ATOM 0 HA LYS A 72 23.815 24.108 -7.721 1.00 0.00 H new ATOM 0 HB2 LYS A 72 20.824 24.495 -7.300 1.00 0.00 H new ATOM 0 HB3 LYS A 72 21.954 23.978 -6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.190 26.138 -6.325 1.00 0.00 H new ATOM 0 HG3 LYS A 72 22.006 26.653 -7.510 1.00 0.00 H new ATOM 0 HD2 LYS A 72 21.050 27.596 -5.643 1.00 0.00 H new ATOM 0 HD3 LYS A 72 20.284 26.022 -5.559 1.00 0.00 H new ATOM 0 HE2 LYS A 72 22.909 26.634 -4.154 1.00 0.00 H new ATOM 0 HE3 LYS A 72 21.353 26.903 -3.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 21.349 24.780 -2.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 21.282 24.328 -4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 22.784 24.487 -3.677 1.00 0.00 H new ATOM 1084 N TRP A 73 21.360 22.258 -8.933 1.00 0.00 N ATOM 1085 CA TRP A 73 20.956 20.884 -9.208 1.00 0.00 C ATOM 1086 C TRP A 73 22.075 20.115 -9.901 1.00 0.00 C ATOM 1087 O TRP A 73 22.640 19.178 -9.337 1.00 0.00 O ATOM 1088 CB TRP A 73 19.695 20.865 -10.074 1.00 0.00 C ATOM 1089 CG TRP A 73 18.427 20.907 -9.277 1.00 0.00 C ATOM 1090 CD1 TRP A 73 18.224 20.388 -8.030 1.00 0.00 C ATOM 1091 CD2 TRP A 73 17.185 21.499 -9.674 1.00 0.00 C ATOM 1092 NE1 TRP A 73 16.931 20.621 -7.628 1.00 0.00 N ATOM 1093 CE2 TRP A 73 16.273 21.302 -8.618 1.00 0.00 C ATOM 1094 CE3 TRP A 73 16.754 22.177 -10.817 1.00 0.00 C ATOM 1095 CZ2 TRP A 73 14.959 21.758 -8.674 1.00 0.00 C ATOM 1096 CZ3 TRP A 73 15.450 22.629 -10.872 1.00 0.00 C ATOM 1097 CH2 TRP A 73 14.565 22.419 -9.806 1.00 0.00 C ATOM 0 H TRP A 73 20.721 22.966 -9.294 1.00 0.00 H new ATOM 0 HA TRP A 73 20.742 20.398 -8.256 1.00 0.00 H new ATOM 0 HB2 TRP A 73 19.717 21.717 -10.754 1.00 0.00 H new ATOM 0 HB3 TRP A 73 19.699 19.966 -10.690 1.00 0.00 H new ATOM 0 HD1 TRP A 73 18.970 19.870 -7.446 1.00 0.00 H new ATOM 0 HE1 TRP A 73 16.527 20.334 -6.737 1.00 0.00 H new ATOM 0 HE3 TRP A 73 17.429 22.345 -11.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 14.275 21.596 -7.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 15.107 23.153 -11.752 1.00 0.00 H new ATOM 0 HH2 TRP A 73 13.552 22.786 -9.879 1.00 0.00 H new ATOM 1108 N ALA A 74 22.392 20.517 -11.128 1.00 0.00 N ATOM 1109 CA ALA A 74 23.446 19.866 -11.897 1.00 0.00 C ATOM 1110 C ALA A 74 24.700 19.670 -11.052 1.00 0.00 C ATOM 1111 O ALA A 74 25.416 18.681 -11.208 1.00 0.00 O ATOM 1112 CB ALA A 74 23.767 20.678 -13.143 1.00 0.00 C ATOM 0 H ALA A 74 21.934 21.290 -11.611 1.00 0.00 H new ATOM 0 HA ALA A 74 23.087 18.882 -12.200 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.555 20.181 -13.708 1.00 0.00 H new ATOM 0 HB2 ALA A 74 22.874 20.762 -13.763 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.102 21.674 -12.852 1.00 0.00 H new ATOM 1118 N ASP A 75 24.961 20.619 -10.160 1.00 0.00 N ATOM 1119 CA ASP A 75 26.129 20.550 -9.290 1.00 0.00 C ATOM 1120 C ASP A 75 26.029 19.363 -8.338 1.00 0.00 C ATOM 1121 O ASP A 75 27.036 18.747 -7.987 1.00 0.00 O ATOM 1122 CB ASP A 75 26.276 21.848 -8.493 1.00 0.00 C ATOM 1123 CG ASP A 75 27.121 22.878 -9.215 1.00 0.00 C ATOM 1124 OD1 ASP A 75 28.130 22.486 -9.839 1.00 0.00 O ATOM 1125 OD2 ASP A 75 26.776 24.077 -9.156 1.00 0.00 O ATOM 0 H ASP A 75 24.379 21.445 -10.020 1.00 0.00 H new ATOM 0 HA ASP A 75 27.010 20.416 -9.917 1.00 0.00 H new ATOM 0 HB2 ASP A 75 25.288 22.265 -8.298 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.726 21.628 -7.525 1.00 0.00 H new ATOM 1130 N LYS A 76 24.807 19.046 -7.922 1.00 0.00 N ATOM 1131 CA LYS A 76 24.574 17.932 -7.010 1.00 0.00 C ATOM 1132 C LYS A 76 24.770 16.597 -7.721 1.00 0.00 C ATOM 1133 O LYS A 76 25.365 15.671 -7.171 1.00 0.00 O ATOM 1134 CB LYS A 76 23.160 18.010 -6.430 1.00 0.00 C ATOM 1135 CG LYS A 76 22.864 19.321 -5.723 1.00 0.00 C ATOM 1136 CD LYS A 76 23.381 19.314 -4.294 1.00 0.00 C ATOM 1137 CE LYS A 76 22.716 20.395 -3.455 1.00 0.00 C ATOM 1138 NZ LYS A 76 23.071 21.761 -3.929 1.00 0.00 N ATOM 0 H LYS A 76 23.963 19.545 -8.202 1.00 0.00 H new ATOM 0 HA LYS A 76 25.298 18.001 -6.198 1.00 0.00 H new ATOM 0 HB2 LYS A 76 22.438 17.870 -7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 76 23.018 17.188 -5.728 1.00 0.00 H new ATOM 0 HG2 LYS A 76 23.322 20.143 -6.273 1.00 0.00 H new ATOM 0 HG3 LYS A 76 21.789 19.499 -5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 76 23.197 18.338 -3.844 1.00 0.00 H new ATOM 0 HD3 LYS A 76 24.460 19.466 -4.296 1.00 0.00 H new ATOM 0 HE2 LYS A 76 21.634 20.268 -3.490 1.00 0.00 H new ATOM 0 HE3 LYS A 76 23.016 20.282 -2.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.626 22.469 -3.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 24.104 21.880 -3.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 22.732 21.889 -4.904 1.00 0.00 H new ATOM 1152 N GLY A 77 24.267 16.505 -8.949 1.00 0.00 N ATOM 1153 CA GLY A 77 24.399 15.280 -9.715 1.00 0.00 C ATOM 1154 C GLY A 77 23.057 14.675 -10.078 1.00 0.00 C ATOM 1155 O GLY A 77 22.865 13.464 -9.972 1.00 0.00 O ATOM 0 H GLY A 77 23.771 17.257 -9.426 1.00 0.00 H new ATOM 0 HA2 GLY A 77 24.960 15.484 -10.627 1.00 0.00 H new ATOM 0 HA3 GLY A 77 24.977 14.556 -9.140 1.00 0.00 H new ATOM 1159 N TYR A 78 22.126 15.521 -10.505 1.00 0.00 N ATOM 1160 CA TYR A 78 20.793 15.064 -10.881 1.00 0.00 C ATOM 1161 C TYR A 78 20.619 15.078 -12.396 1.00 0.00 C ATOM 1162 O TYR A 78 20.982 16.046 -13.066 1.00 0.00 O ATOM 1163 CB TYR A 78 19.726 15.942 -10.225 1.00 0.00 C ATOM 1164 CG TYR A 78 19.868 16.048 -8.724 1.00 0.00 C ATOM 1165 CD1 TYR A 78 19.928 14.910 -7.930 1.00 0.00 C ATOM 1166 CD2 TYR A 78 19.942 17.287 -8.099 1.00 0.00 C ATOM 1167 CE1 TYR A 78 20.057 15.002 -6.557 1.00 0.00 C ATOM 1168 CE2 TYR A 78 20.072 17.389 -6.728 1.00 0.00 C ATOM 1169 CZ TYR A 78 20.129 16.244 -5.961 1.00 0.00 C ATOM 1170 OH TYR A 78 20.258 16.341 -4.595 1.00 0.00 O ATOM 0 H TYR A 78 22.270 16.526 -10.599 1.00 0.00 H new ATOM 0 HA TYR A 78 20.676 14.039 -10.530 1.00 0.00 H new ATOM 0 HB2 TYR A 78 19.774 16.941 -10.657 1.00 0.00 H new ATOM 0 HB3 TYR A 78 18.741 15.539 -10.461 1.00 0.00 H new ATOM 0 HD1 TYR A 78 19.873 13.936 -8.394 1.00 0.00 H new ATOM 0 HD2 TYR A 78 19.897 18.186 -8.696 1.00 0.00 H new ATOM 0 HE1 TYR A 78 20.101 14.107 -5.954 1.00 0.00 H new ATOM 0 HE2 TYR A 78 20.129 18.360 -6.259 1.00 0.00 H new ATOM 0 HH TYR A 78 20.296 17.285 -4.336 1.00 0.00 H new ATOM 1180 N THR A 79 20.060 13.998 -12.932 1.00 0.00 N ATOM 1181 CA THR A 79 19.838 13.884 -14.368 1.00 0.00 C ATOM 1182 C THR A 79 18.349 13.860 -14.693 1.00 0.00 C ATOM 1183 O THR A 79 17.521 13.532 -13.841 1.00 0.00 O ATOM 1184 CB THR A 79 20.497 12.615 -14.940 1.00 0.00 C ATOM 1185 OG1 THR A 79 20.265 11.506 -14.064 1.00 0.00 O ATOM 1186 CG2 THR A 79 21.993 12.818 -15.124 1.00 0.00 C ATOM 0 H THR A 79 19.752 13.189 -12.393 1.00 0.00 H new ATOM 0 HA THR A 79 20.294 14.760 -14.829 1.00 0.00 H new ATOM 0 HB THR A 79 20.052 12.408 -15.913 1.00 0.00 H new ATOM 0 HG1 THR A 79 20.686 10.702 -14.435 1.00 0.00 H new ATOM 0 HG21 THR A 79 22.437 11.908 -15.529 1.00 0.00 H new ATOM 0 HG22 THR A 79 22.166 13.644 -15.814 1.00 0.00 H new ATOM 0 HG23 THR A 79 22.450 13.047 -14.161 1.00 0.00 H new ATOM 1194 N LEU A 80 18.013 14.209 -15.930 1.00 0.00 N ATOM 1195 CA LEU A 80 16.621 14.227 -16.369 1.00 0.00 C ATOM 1196 C LEU A 80 15.836 13.083 -15.736 1.00 0.00 C ATOM 1197 O LEU A 80 14.862 13.308 -15.016 1.00 0.00 O ATOM 1198 CB LEU A 80 16.546 14.130 -17.894 1.00 0.00 C ATOM 1199 CG LEU A 80 17.334 15.183 -18.673 1.00 0.00 C ATOM 1200 CD1 LEU A 80 17.248 14.916 -20.168 1.00 0.00 C ATOM 1201 CD2 LEU A 80 16.823 16.580 -18.349 1.00 0.00 C ATOM 0 H LEU A 80 18.685 14.483 -16.647 1.00 0.00 H new ATOM 0 HA LEU A 80 16.176 15.169 -16.049 1.00 0.00 H new ATOM 0 HB2 LEU A 80 16.902 13.144 -18.193 1.00 0.00 H new ATOM 0 HB3 LEU A 80 15.499 14.195 -18.191 1.00 0.00 H new ATOM 0 HG LEU A 80 18.380 15.122 -18.373 1.00 0.00 H new ATOM 0 HD11 LEU A 80 17.815 15.676 -20.706 1.00 0.00 H new ATOM 0 HD12 LEU A 80 17.662 13.932 -20.386 1.00 0.00 H new ATOM 0 HD13 LEU A 80 16.205 14.949 -20.484 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.396 17.317 -18.913 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.770 16.654 -18.620 1.00 0.00 H new ATOM 0 HD23 LEU A 80 16.937 16.771 -17.282 1.00 0.00 H new ATOM 1213 N THR A 81 16.267 11.855 -16.006 1.00 0.00 N ATOM 1214 CA THR A 81 15.605 10.676 -15.462 1.00 0.00 C ATOM 1215 C THR A 81 15.277 10.862 -13.985 1.00 0.00 C ATOM 1216 O THR A 81 14.145 10.637 -13.559 1.00 0.00 O ATOM 1217 CB THR A 81 16.476 9.416 -15.629 1.00 0.00 C ATOM 1218 OG1 THR A 81 16.671 9.136 -17.020 1.00 0.00 O ATOM 1219 CG2 THR A 81 15.829 8.218 -14.950 1.00 0.00 C ATOM 0 H THR A 81 17.072 11.651 -16.598 1.00 0.00 H new ATOM 0 HA THR A 81 14.679 10.546 -16.023 1.00 0.00 H new ATOM 0 HB THR A 81 17.441 9.603 -15.158 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.227 8.335 -17.118 1.00 0.00 H new ATOM 0 HG21 THR A 81 16.462 7.340 -15.081 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.709 8.424 -13.886 1.00 0.00 H new ATOM 0 HG23 THR A 81 14.852 8.031 -15.396 1.00 0.00 H new ATOM 1227 N GLN A 82 16.275 11.273 -13.210 1.00 0.00 N ATOM 1228 CA GLN A 82 16.091 11.489 -11.779 1.00 0.00 C ATOM 1229 C GLN A 82 15.269 12.747 -11.520 1.00 0.00 C ATOM 1230 O GLN A 82 14.146 12.675 -11.021 1.00 0.00 O ATOM 1231 CB GLN A 82 17.447 11.598 -11.080 1.00 0.00 C ATOM 1232 CG GLN A 82 18.171 10.268 -10.946 1.00 0.00 C ATOM 1233 CD GLN A 82 18.011 9.391 -12.172 1.00 0.00 C ATOM 1234 OE1 GLN A 82 17.144 8.390 -12.074 1.00 0.00 O flip ATOM 1235 NE2 GLN A 82 18.659 9.610 -13.195 1.00 0.00 N flip ATOM 0 H GLN A 82 17.218 11.463 -13.548 1.00 0.00 H new ATOM 0 HA GLN A 82 15.550 10.634 -11.374 1.00 0.00 H new ATOM 0 HB2 GLN A 82 18.078 12.291 -11.636 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.302 12.025 -10.088 1.00 0.00 H new ATOM 0 HG2 GLN A 82 19.231 10.452 -10.771 1.00 0.00 H new ATOM 0 HG3 GLN A 82 17.791 9.738 -10.073 1.00 0.00 H new ATOM 0 HE21 GLN A 82 19.315 10.391 -13.226 1.00 0.00 H new ATOM 0 HE22 GLN A 82 18.541 9.011 -14.012 1.00 0.00 H new ATOM 1244 N MET A 83 15.836 13.899 -11.862 1.00 0.00 N ATOM 1245 CA MET A 83 15.154 15.174 -11.666 1.00 0.00 C ATOM 1246 C MET A 83 13.656 15.034 -11.921 1.00 0.00 C ATOM 1247 O MET A 83 12.846 15.172 -11.005 1.00 0.00 O ATOM 1248 CB MET A 83 15.744 16.239 -12.592 1.00 0.00 C ATOM 1249 CG MET A 83 14.968 17.546 -12.587 1.00 0.00 C ATOM 1250 SD MET A 83 14.968 18.347 -10.971 1.00 0.00 S ATOM 1251 CE MET A 83 16.727 18.527 -10.683 1.00 0.00 C ATOM 0 H MET A 83 16.765 13.977 -12.276 1.00 0.00 H new ATOM 0 HA MET A 83 15.301 15.481 -10.631 1.00 0.00 H new ATOM 0 HB2 MET A 83 16.774 16.436 -12.295 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.775 15.848 -13.609 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.400 18.223 -13.324 1.00 0.00 H new ATOM 0 HG3 MET A 83 13.940 17.355 -12.894 1.00 0.00 H new ATOM 0 HE1 MET A 83 16.900 18.790 -9.639 1.00 0.00 H new ATOM 0 HE2 MET A 83 17.231 17.587 -10.909 1.00 0.00 H new ATOM 0 HE3 MET A 83 17.122 19.314 -11.326 1.00 0.00 H new ATOM 1261 N SER A 84 13.296 14.760 -13.171 1.00 0.00 N ATOM 1262 CA SER A 84 11.896 14.605 -13.547 1.00 0.00 C ATOM 1263 C SER A 84 11.138 13.796 -12.498 1.00 0.00 C ATOM 1264 O SER A 84 10.202 14.292 -11.873 1.00 0.00 O ATOM 1265 CB SER A 84 11.784 13.924 -14.912 1.00 0.00 C ATOM 1266 OG SER A 84 12.391 12.644 -14.894 1.00 0.00 O ATOM 0 H SER A 84 13.955 14.641 -13.940 1.00 0.00 H new ATOM 0 HA SER A 84 11.450 15.598 -13.607 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.734 13.828 -15.189 1.00 0.00 H new ATOM 0 HB3 SER A 84 12.259 14.545 -15.672 1.00 0.00 H new ATOM 0 HG SER A 84 13.322 12.719 -15.190 1.00 0.00 H new ATOM 1272 N ASN A 85 11.551 12.547 -12.312 1.00 0.00 N ATOM 1273 CA ASN A 85 10.912 11.667 -11.340 1.00 0.00 C ATOM 1274 C ASN A 85 10.504 12.442 -10.091 1.00 0.00 C ATOM 1275 O ASN A 85 9.411 12.250 -9.557 1.00 0.00 O ATOM 1276 CB ASN A 85 11.854 10.523 -10.960 1.00 0.00 C ATOM 1277 CG ASN A 85 11.706 9.323 -11.876 1.00 0.00 C ATOM 1278 OD1 ASN A 85 10.814 9.282 -12.724 1.00 0.00 O ATOM 1279 ND2 ASN A 85 12.583 8.340 -11.709 1.00 0.00 N ATOM 0 H ASN A 85 12.325 12.121 -12.821 1.00 0.00 H new ATOM 0 HA ASN A 85 10.014 11.252 -11.798 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.884 10.878 -10.994 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.656 10.219 -9.932 1.00 0.00 H new ATOM 0 HD21 ASN A 85 12.534 7.508 -12.296 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.306 8.417 -10.993 1.00 0.00 H new ATOM 1286 N PHE A 86 11.390 13.319 -9.630 1.00 0.00 N ATOM 1287 CA PHE A 86 11.123 14.123 -8.443 1.00 0.00 C ATOM 1288 C PHE A 86 10.010 15.132 -8.709 1.00 0.00 C ATOM 1289 O PHE A 86 9.108 15.309 -7.888 1.00 0.00 O ATOM 1290 CB PHE A 86 12.393 14.852 -7.999 1.00 0.00 C ATOM 1291 CG PHE A 86 13.523 13.928 -7.645 1.00 0.00 C ATOM 1292 CD1 PHE A 86 13.300 12.809 -6.859 1.00 0.00 C ATOM 1293 CD2 PHE A 86 14.808 14.179 -8.098 1.00 0.00 C ATOM 1294 CE1 PHE A 86 14.337 11.957 -6.532 1.00 0.00 C ATOM 1295 CE2 PHE A 86 15.849 13.330 -7.775 1.00 0.00 C ATOM 1296 CZ PHE A 86 15.614 12.218 -6.990 1.00 0.00 C ATOM 0 H PHE A 86 12.299 13.491 -10.060 1.00 0.00 H new ATOM 0 HA PHE A 86 10.799 13.454 -7.646 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.717 15.520 -8.797 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.161 15.476 -7.136 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.304 12.600 -6.498 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.998 15.048 -8.710 1.00 0.00 H new ATOM 0 HE1 PHE A 86 14.150 11.088 -5.919 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.846 13.536 -8.136 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.427 11.554 -6.735 1.00 0.00 H new ATOM 1306 N LEU A 87 10.079 15.790 -9.860 1.00 0.00 N ATOM 1307 CA LEU A 87 9.078 16.783 -10.235 1.00 0.00 C ATOM 1308 C LEU A 87 7.864 16.117 -10.876 1.00 0.00 C ATOM 1309 O LEU A 87 6.946 16.791 -11.342 1.00 0.00 O ATOM 1310 CB LEU A 87 9.681 17.805 -11.200 1.00 0.00 C ATOM 1311 CG LEU A 87 10.862 18.617 -10.666 1.00 0.00 C ATOM 1312 CD1 LEU A 87 11.308 19.648 -11.691 1.00 0.00 C ATOM 1313 CD2 LEU A 87 10.495 19.291 -9.352 1.00 0.00 C ATOM 0 H LEU A 87 10.818 15.654 -10.550 1.00 0.00 H new ATOM 0 HA LEU A 87 8.753 17.295 -9.329 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.004 17.280 -12.099 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.896 18.498 -11.501 1.00 0.00 H new ATOM 0 HG LEU A 87 11.693 17.936 -10.482 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.149 20.216 -11.293 1.00 0.00 H new ATOM 0 HD12 LEU A 87 11.613 19.142 -12.607 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.483 20.326 -11.908 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.347 19.864 -8.987 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.649 19.960 -9.510 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.226 18.533 -8.617 1.00 0.00 H new ATOM 1325 N LYS A 88 7.866 14.788 -10.893 1.00 0.00 N ATOM 1326 CA LYS A 88 6.764 14.029 -11.473 1.00 0.00 C ATOM 1327 C LYS A 88 5.648 13.824 -10.453 1.00 0.00 C ATOM 1328 O LYS A 88 5.660 12.858 -9.691 1.00 0.00 O ATOM 1329 CB LYS A 88 7.262 12.673 -11.978 1.00 0.00 C ATOM 1330 CG LYS A 88 8.019 12.754 -13.293 1.00 0.00 C ATOM 1331 CD LYS A 88 7.077 12.682 -14.483 1.00 0.00 C ATOM 1332 CE LYS A 88 6.430 14.030 -14.764 1.00 0.00 C ATOM 1333 NZ LYS A 88 6.094 14.194 -16.206 1.00 0.00 N ATOM 0 H LYS A 88 8.618 14.214 -10.512 1.00 0.00 H new ATOM 0 HA LYS A 88 6.365 14.599 -12.312 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.910 12.229 -11.222 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.410 12.005 -12.100 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.585 13.685 -13.331 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.741 11.939 -13.349 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.627 12.350 -15.364 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.303 11.939 -14.291 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.524 14.130 -14.166 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.105 14.828 -14.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.655 15.125 -16.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.962 14.124 -16.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.430 13.447 -16.495 1.00 0.00 H new ATOM 1433 N TYR A 95 5.028 21.674 -12.997 1.00 0.00 N ATOM 1434 CA TYR A 95 6.458 21.959 -12.979 1.00 0.00 C ATOM 1435 C TYR A 95 7.075 21.741 -14.357 1.00 0.00 C ATOM 1436 O TYR A 95 8.228 21.325 -14.475 1.00 0.00 O ATOM 1437 CB TYR A 95 7.162 21.076 -11.947 1.00 0.00 C ATOM 1438 CG TYR A 95 6.657 21.273 -10.536 1.00 0.00 C ATOM 1439 CD1 TYR A 95 6.878 22.466 -9.859 1.00 0.00 C ATOM 1440 CD2 TYR A 95 5.960 20.266 -9.879 1.00 0.00 C ATOM 1441 CE1 TYR A 95 6.418 22.650 -8.569 1.00 0.00 C ATOM 1442 CE2 TYR A 95 5.496 20.442 -8.590 1.00 0.00 C ATOM 1443 CZ TYR A 95 5.728 21.636 -7.939 1.00 0.00 C ATOM 1444 OH TYR A 95 5.268 21.815 -6.654 1.00 0.00 O ATOM 0 HA TYR A 95 6.591 23.005 -12.704 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.033 20.031 -12.227 1.00 0.00 H new ATOM 0 HB3 TYR A 95 8.232 21.283 -11.973 1.00 0.00 H new ATOM 0 HD1 TYR A 95 7.418 23.263 -10.349 1.00 0.00 H new ATOM 0 HD2 TYR A 95 5.778 19.329 -10.385 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.598 23.584 -8.057 1.00 0.00 H new ATOM 0 HE2 TYR A 95 4.955 19.650 -8.095 1.00 0.00 H new ATOM 0 HH TYR A 95 4.802 21.005 -6.358 1.00 0.00 H new ATOM 1454 N ASP A 96 6.298 22.025 -15.397 1.00 0.00 N ATOM 1455 CA ASP A 96 6.767 21.862 -16.768 1.00 0.00 C ATOM 1456 C ASP A 96 7.788 22.939 -17.125 1.00 0.00 C ATOM 1457 O ASP A 96 8.763 22.674 -17.828 1.00 0.00 O ATOM 1458 CB ASP A 96 5.589 21.916 -17.742 1.00 0.00 C ATOM 1459 CG ASP A 96 5.987 21.531 -19.154 1.00 0.00 C ATOM 1460 OD1 ASP A 96 6.929 22.147 -19.693 1.00 0.00 O ATOM 1461 OD2 ASP A 96 5.355 20.614 -19.719 1.00 0.00 O ATOM 0 H ASP A 96 5.341 22.369 -15.317 1.00 0.00 H new ATOM 0 HA ASP A 96 7.250 20.888 -16.847 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.803 21.246 -17.394 1.00 0.00 H new ATOM 0 HB3 ASP A 96 5.171 22.923 -17.747 1.00 0.00 H new ATOM 1466 N ARG A 97 7.555 24.153 -16.637 1.00 0.00 N ATOM 1467 CA ARG A 97 8.452 25.269 -16.906 1.00 0.00 C ATOM 1468 C ARG A 97 9.784 25.083 -16.185 1.00 0.00 C ATOM 1469 O ARG A 97 10.837 25.467 -16.694 1.00 0.00 O ATOM 1470 CB ARG A 97 7.806 26.587 -16.473 1.00 0.00 C ATOM 1471 CG ARG A 97 8.640 27.813 -16.806 1.00 0.00 C ATOM 1472 CD ARG A 97 8.581 28.140 -18.290 1.00 0.00 C ATOM 1473 NE ARG A 97 9.570 29.147 -18.668 1.00 0.00 N ATOM 1474 CZ ARG A 97 10.876 28.912 -18.716 1.00 0.00 C ATOM 1475 NH1 ARG A 97 11.349 27.711 -18.412 1.00 0.00 N ATOM 1476 NH2 ARG A 97 11.713 29.880 -19.070 1.00 0.00 N ATOM 0 H ARG A 97 6.752 24.388 -16.053 1.00 0.00 H new ATOM 0 HA ARG A 97 8.640 25.299 -17.979 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.832 26.679 -16.953 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.630 26.559 -15.398 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.281 28.666 -16.230 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.675 27.641 -16.511 1.00 0.00 H new ATOM 0 HD2 ARG A 97 8.749 27.232 -18.868 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.583 28.499 -18.543 1.00 0.00 H new ATOM 0 HE ARG A 97 9.239 30.081 -18.908 1.00 0.00 H new ATOM 0 HH11 ARG A 97 10.709 26.965 -18.140 1.00 0.00 H new ATOM 0 HH12 ARG A 97 12.353 27.534 -18.450 1.00 0.00 H new ATOM 0 HH21 ARG A 97 11.353 30.805 -19.305 1.00 0.00 H new ATOM 0 HH22 ARG A 97 12.716 29.699 -19.107 1.00 0.00 H new ATOM 1490 N VAL A 98 9.730 24.490 -14.996 1.00 0.00 N ATOM 1491 CA VAL A 98 10.931 24.252 -14.205 1.00 0.00 C ATOM 1492 C VAL A 98 11.813 23.190 -14.852 1.00 0.00 C ATOM 1493 O VAL A 98 13.036 23.329 -14.899 1.00 0.00 O ATOM 1494 CB VAL A 98 10.581 23.809 -12.772 1.00 0.00 C ATOM 1495 CG1 VAL A 98 11.846 23.575 -11.961 1.00 0.00 C ATOM 1496 CG2 VAL A 98 9.689 24.841 -12.099 1.00 0.00 C ATOM 0 H VAL A 98 8.867 24.166 -14.560 1.00 0.00 H new ATOM 0 HA VAL A 98 11.474 25.196 -14.163 1.00 0.00 H new ATOM 0 HB VAL A 98 10.033 22.868 -12.825 1.00 0.00 H new ATOM 0 HG11 VAL A 98 11.578 23.263 -10.952 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.443 22.796 -12.435 1.00 0.00 H new ATOM 0 HG13 VAL A 98 12.424 24.498 -11.914 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.451 24.512 -11.087 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.208 25.798 -12.057 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.767 24.953 -12.670 1.00 0.00 H new ATOM 1506 N TYR A 99 11.186 22.131 -15.351 1.00 0.00 N ATOM 1507 CA TYR A 99 11.914 21.044 -15.994 1.00 0.00 C ATOM 1508 C TYR A 99 12.515 21.501 -17.320 1.00 0.00 C ATOM 1509 O TYR A 99 13.655 21.170 -17.643 1.00 0.00 O ATOM 1510 CB TYR A 99 10.988 19.849 -16.226 1.00 0.00 C ATOM 1511 CG TYR A 99 11.664 18.683 -16.910 1.00 0.00 C ATOM 1512 CD1 TYR A 99 12.575 17.885 -16.228 1.00 0.00 C ATOM 1513 CD2 TYR A 99 11.394 18.379 -18.239 1.00 0.00 C ATOM 1514 CE1 TYR A 99 13.196 16.818 -16.849 1.00 0.00 C ATOM 1515 CE2 TYR A 99 12.010 17.314 -18.868 1.00 0.00 C ATOM 1516 CZ TYR A 99 12.910 16.537 -18.169 1.00 0.00 C ATOM 1517 OH TYR A 99 13.526 15.476 -18.792 1.00 0.00 O ATOM 0 H TYR A 99 10.175 22.002 -15.323 1.00 0.00 H new ATOM 0 HA TYR A 99 12.726 20.743 -15.332 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.591 19.516 -15.267 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.138 20.170 -16.829 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.802 18.103 -15.195 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.690 18.986 -18.790 1.00 0.00 H new ATOM 0 HE1 TYR A 99 13.901 16.208 -16.304 1.00 0.00 H new ATOM 0 HE2 TYR A 99 11.788 17.091 -19.901 1.00 0.00 H new ATOM 0 HH TYR A 99 13.214 15.415 -19.719 1.00 0.00 H new ATOM 1527 N ASN A 100 11.739 22.264 -18.083 1.00 0.00 N ATOM 1528 CA ASN A 100 12.194 22.767 -19.374 1.00 0.00 C ATOM 1529 C ASN A 100 13.580 23.394 -19.255 1.00 0.00 C ATOM 1530 O ASN A 100 14.554 22.881 -19.805 1.00 0.00 O ATOM 1531 CB ASN A 100 11.202 23.795 -19.922 1.00 0.00 C ATOM 1532 CG ASN A 100 11.388 24.043 -21.406 1.00 0.00 C ATOM 1533 OD1 ASN A 100 11.953 23.213 -22.120 1.00 0.00 O ATOM 1534 ND2 ASN A 100 10.912 25.189 -21.879 1.00 0.00 N ATOM 0 H ASN A 100 10.792 22.547 -17.830 1.00 0.00 H new ATOM 0 HA ASN A 100 12.253 21.925 -20.064 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.185 23.448 -19.739 1.00 0.00 H new ATOM 0 HB3 ASN A 100 11.320 24.734 -19.382 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.007 25.411 -22.870 1.00 0.00 H new ATOM 0 HD22 ASN A 100 10.451 25.848 -21.251 1.00 0.00 H new ATOM 1541 N GLY A 101 13.660 24.508 -18.533 1.00 0.00 N ATOM 1542 CA GLY A 101 14.930 25.186 -18.355 1.00 0.00 C ATOM 1543 C GLY A 101 16.069 24.224 -18.080 1.00 0.00 C ATOM 1544 O GLY A 101 17.025 24.147 -18.852 1.00 0.00 O ATOM 0 H GLY A 101 12.868 24.952 -18.069 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.157 25.766 -19.249 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.848 25.893 -17.529 1.00 0.00 H new ATOM 1548 N TYR A 102 15.967 23.489 -16.978 1.00 0.00 N ATOM 1549 CA TYR A 102 16.998 22.530 -16.602 1.00 0.00 C ATOM 1550 C TYR A 102 17.465 21.728 -17.813 1.00 0.00 C ATOM 1551 O TYR A 102 18.644 21.744 -18.166 1.00 0.00 O ATOM 1552 CB TYR A 102 16.473 21.584 -15.520 1.00 0.00 C ATOM 1553 CG TYR A 102 17.559 20.782 -14.838 1.00 0.00 C ATOM 1554 CD1 TYR A 102 18.749 21.382 -14.445 1.00 0.00 C ATOM 1555 CD2 TYR A 102 17.395 19.425 -14.588 1.00 0.00 C ATOM 1556 CE1 TYR A 102 19.744 20.654 -13.822 1.00 0.00 C ATOM 1557 CE2 TYR A 102 18.384 18.690 -13.965 1.00 0.00 C ATOM 1558 CZ TYR A 102 19.557 19.308 -13.583 1.00 0.00 C ATOM 1559 OH TYR A 102 20.545 18.578 -12.963 1.00 0.00 O ATOM 0 H TYR A 102 15.181 23.539 -16.330 1.00 0.00 H new ATOM 0 HA TYR A 102 17.849 23.085 -16.208 1.00 0.00 H new ATOM 0 HB2 TYR A 102 15.937 22.165 -14.770 1.00 0.00 H new ATOM 0 HB3 TYR A 102 15.753 20.898 -15.967 1.00 0.00 H new ATOM 0 HD1 TYR A 102 18.899 22.436 -14.630 1.00 0.00 H new ATOM 0 HD2 TYR A 102 16.479 18.937 -14.886 1.00 0.00 H new ATOM 0 HE1 TYR A 102 20.663 21.136 -13.524 1.00 0.00 H new ATOM 0 HE2 TYR A 102 18.240 17.636 -13.778 1.00 0.00 H new ATOM 0 HH TYR A 102 20.324 17.624 -13.008 1.00 0.00 H new ATOM 1569 N VAL A 103 16.529 21.026 -18.445 1.00 0.00 N ATOM 1570 CA VAL A 103 16.842 20.218 -19.618 1.00 0.00 C ATOM 1571 C VAL A 103 17.900 20.893 -20.484 1.00 0.00 C ATOM 1572 O VAL A 103 18.971 20.333 -20.723 1.00 0.00 O ATOM 1573 CB VAL A 103 15.587 19.957 -20.471 1.00 0.00 C ATOM 1574 CG1 VAL A 103 15.956 19.233 -21.757 1.00 0.00 C ATOM 1575 CG2 VAL A 103 14.560 19.162 -19.677 1.00 0.00 C ATOM 0 H VAL A 103 15.549 21.001 -18.164 1.00 0.00 H new ATOM 0 HA VAL A 103 17.228 19.266 -19.253 1.00 0.00 H new ATOM 0 HB VAL A 103 15.144 20.916 -20.738 1.00 0.00 H new ATOM 0 HG11 VAL A 103 15.056 19.057 -22.347 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.653 19.844 -22.331 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.424 18.279 -21.516 1.00 0.00 H new ATOM 0 HG21 VAL A 103 13.679 18.986 -20.295 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.991 18.206 -19.379 1.00 0.00 H new ATOM 0 HG23 VAL A 103 14.273 19.724 -18.788 1.00 0.00 H new ATOM 1585 N ILE A 104 17.593 22.099 -20.951 1.00 0.00 N ATOM 1586 CA ILE A 104 18.518 22.851 -21.789 1.00 0.00 C ATOM 1587 C ILE A 104 19.786 23.212 -21.022 1.00 0.00 C ATOM 1588 O ILE A 104 20.896 23.080 -21.539 1.00 0.00 O ATOM 1589 CB ILE A 104 17.871 24.142 -22.324 1.00 0.00 C ATOM 1590 CG1 ILE A 104 16.695 23.805 -23.244 1.00 0.00 C ATOM 1591 CG2 ILE A 104 18.901 24.985 -23.060 1.00 0.00 C ATOM 1592 CD1 ILE A 104 15.381 23.650 -22.512 1.00 0.00 C ATOM 0 H ILE A 104 16.711 22.576 -20.763 1.00 0.00 H new ATOM 0 HA ILE A 104 18.775 22.207 -22.630 1.00 0.00 H new ATOM 0 HB ILE A 104 17.494 24.719 -21.480 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.594 24.590 -23.993 1.00 0.00 H new ATOM 0 HG13 ILE A 104 16.915 22.881 -23.778 1.00 0.00 H new ATOM 0 HG21 ILE A 104 18.428 25.894 -23.432 1.00 0.00 H new ATOM 0 HG22 ILE A 104 19.709 25.249 -22.378 1.00 0.00 H new ATOM 0 HG23 ILE A 104 19.305 24.417 -23.898 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.593 23.412 -23.226 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.464 22.845 -21.782 1.00 0.00 H new ATOM 0 HD13 ILE A 104 15.138 24.581 -22.000 1.00 0.00 H new ATOM 1604 N HIS A 105 19.614 23.666 -19.785 1.00 0.00 N ATOM 1605 CA HIS A 105 20.745 24.043 -18.945 1.00 0.00 C ATOM 1606 C HIS A 105 21.823 22.965 -18.969 1.00 0.00 C ATOM 1607 O HIS A 105 23.016 23.264 -18.899 1.00 0.00 O ATOM 1608 CB HIS A 105 20.281 24.286 -17.508 1.00 0.00 C ATOM 1609 CG HIS A 105 21.394 24.642 -16.571 1.00 0.00 C ATOM 1610 ND1 HIS A 105 21.963 25.897 -16.521 1.00 0.00 N ATOM 1611 CD2 HIS A 105 22.042 23.899 -15.644 1.00 0.00 C ATOM 1612 CE1 HIS A 105 22.915 25.910 -15.605 1.00 0.00 C ATOM 1613 NE2 HIS A 105 22.983 24.710 -15.057 1.00 0.00 N ATOM 0 H HIS A 105 18.703 23.782 -19.342 1.00 0.00 H new ATOM 0 HA HIS A 105 21.170 24.965 -19.342 1.00 0.00 H new ATOM 0 HB2 HIS A 105 19.543 25.088 -17.504 1.00 0.00 H new ATOM 0 HB3 HIS A 105 19.780 23.390 -17.140 1.00 0.00 H new ATOM 0 HD1 HIS A 105 21.691 26.691 -17.101 1.00 0.00 H new ATOM 0 HD2 HIS A 105 21.854 22.862 -15.409 1.00 0.00 H new ATOM 0 HE1 HIS A 105 23.533 26.758 -15.348 1.00 0.00 H new ATOM 1622 N LEU A 106 21.397 21.711 -19.066 1.00 0.00 N ATOM 1623 CA LEU A 106 22.327 20.587 -19.099 1.00 0.00 C ATOM 1624 C LEU A 106 23.071 20.534 -20.429 1.00 0.00 C ATOM 1625 O LEU A 106 24.248 20.176 -20.479 1.00 0.00 O ATOM 1626 CB LEU A 106 21.578 19.273 -18.869 1.00 0.00 C ATOM 1627 CG LEU A 106 21.407 18.844 -17.411 1.00 0.00 C ATOM 1628 CD1 LEU A 106 20.888 17.417 -17.331 1.00 0.00 C ATOM 1629 CD2 LEU A 106 22.723 18.978 -16.658 1.00 0.00 C ATOM 0 H LEU A 106 20.414 21.446 -19.123 1.00 0.00 H new ATOM 0 HA LEU A 106 23.056 20.728 -18.301 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.589 19.358 -19.320 1.00 0.00 H new ATOM 0 HB3 LEU A 106 22.104 18.480 -19.401 1.00 0.00 H new ATOM 0 HG LEU A 106 20.674 19.501 -16.943 1.00 0.00 H new ATOM 0 HD11 LEU A 106 20.773 17.130 -16.286 1.00 0.00 H new ATOM 0 HD12 LEU A 106 19.923 17.352 -17.834 1.00 0.00 H new ATOM 0 HD13 LEU A 106 21.596 16.745 -17.816 1.00 0.00 H new ATOM 0 HD21 LEU A 106 22.583 18.669 -15.622 1.00 0.00 H new ATOM 0 HD22 LEU A 106 23.477 18.345 -17.127 1.00 0.00 H new ATOM 0 HD23 LEU A 106 23.053 20.016 -16.685 1.00 0.00 H new