USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=15 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 84 SER OG : rot -49:sc= 0.982 USER MOD Set 1.2: A 85 ASN : amide:sc= 0.0948 X(o=1.1,f=0.96) USER MOD Set 2.1: A 79 THR OG1 : rot -130:sc= 0.0643 USER MOD Set 2.2: A 82 GLN : amide:sc= -1.25 X(o=-1.2,f=-1.4) USER MOD Set 3.1: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 105 HIS : no HD1:sc=-0.00781 X(o=-0.0078,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -126:sc= 1.21 (180deg=-1.32) USER MOD Single : A 53 LYS NZ :NH3+ -155:sc= -0.28 (180deg=-1.3!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -161:sc= -0.0024 (180deg=-0.189) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 168:sc= -0.02 (180deg=-0.311) USER MOD Single : A 64 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 0:sc= 1.25 USER MOD Single : A 72 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.335) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -160:sc= -4.47! (180deg=-5.53!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.781 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.847 USER MOD Single : A 100 ASN : amide:sc= -0.33 K(o=-0.33,f=-2.1!) USER MOD Single : A 102 TYR OH : rot -143:sc= 0.274 USER MOD ----------------------------------------------------------------- ATOM 663 N LEU A 47 13.557 12.301 1.710 1.00 0.00 N ATOM 664 CA LEU A 47 14.101 13.634 1.941 1.00 0.00 C ATOM 665 C LEU A 47 14.443 14.319 0.621 1.00 0.00 C ATOM 666 O LEU A 47 14.006 15.439 0.361 1.00 0.00 O ATOM 667 CB LEU A 47 15.348 13.553 2.824 1.00 0.00 C ATOM 668 CG LEU A 47 15.109 13.637 4.331 1.00 0.00 C ATOM 669 CD1 LEU A 47 16.285 13.045 5.092 1.00 0.00 C ATOM 670 CD2 LEU A 47 14.870 15.080 4.754 1.00 0.00 C ATOM 0 HA LEU A 47 13.341 14.226 2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 47 15.861 12.615 2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.024 14.359 2.538 1.00 0.00 H new ATOM 0 HG LEU A 47 14.218 13.057 4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 47 16.097 13.114 6.163 1.00 0.00 H new ATOM 0 HD12 LEU A 47 16.410 11.999 4.812 1.00 0.00 H new ATOM 0 HD13 LEU A 47 17.192 13.597 4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.702 15.121 5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 47 15.742 15.683 4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.995 15.471 4.235 1.00 0.00 H new ATOM 682 N GLU A 48 15.225 13.635 -0.209 1.00 0.00 N ATOM 683 CA GLU A 48 15.623 14.178 -1.503 1.00 0.00 C ATOM 684 C GLU A 48 14.422 14.761 -2.242 1.00 0.00 C ATOM 685 O GLU A 48 14.359 15.963 -2.497 1.00 0.00 O ATOM 686 CB GLU A 48 16.282 13.091 -2.355 1.00 0.00 C ATOM 687 CG GLU A 48 17.041 13.635 -3.554 1.00 0.00 C ATOM 688 CD GLU A 48 17.864 12.571 -4.254 1.00 0.00 C ATOM 689 OE1 GLU A 48 18.369 11.660 -3.565 1.00 0.00 O ATOM 690 OE2 GLU A 48 18.003 12.650 -5.493 1.00 0.00 O ATOM 0 H GLU A 48 15.595 12.706 -0.009 1.00 0.00 H new ATOM 0 HA GLU A 48 16.342 14.978 -1.327 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.968 12.518 -1.731 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.515 12.400 -2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.334 14.066 -4.262 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.698 14.442 -3.228 1.00 0.00 H new ATOM 697 N LYS A 49 13.469 13.899 -2.582 1.00 0.00 N ATOM 698 CA LYS A 49 12.269 14.326 -3.291 1.00 0.00 C ATOM 699 C LYS A 49 11.801 15.691 -2.797 1.00 0.00 C ATOM 700 O LYS A 49 11.468 16.569 -3.592 1.00 0.00 O ATOM 701 CB LYS A 49 11.151 13.296 -3.110 1.00 0.00 C ATOM 702 CG LYS A 49 10.245 13.162 -4.322 1.00 0.00 C ATOM 703 CD LYS A 49 9.721 11.744 -4.472 1.00 0.00 C ATOM 704 CE LYS A 49 10.823 10.785 -4.896 1.00 0.00 C ATOM 705 NZ LYS A 49 10.928 10.680 -6.377 1.00 0.00 N ATOM 0 H LYS A 49 13.505 12.900 -2.378 1.00 0.00 H new ATOM 0 HA LYS A 49 12.513 14.407 -4.350 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.595 12.325 -2.890 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.548 13.574 -2.245 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.407 13.853 -4.229 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.793 13.445 -5.220 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.292 11.412 -3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.919 11.727 -5.210 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.775 11.123 -4.488 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.628 9.799 -4.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.867 9.681 -6.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.152 11.213 -6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.839 11.073 -6.689 1.00 0.00 H new ATOM 719 N ALA A 50 11.781 15.863 -1.479 1.00 0.00 N ATOM 720 CA ALA A 50 11.358 17.122 -0.879 1.00 0.00 C ATOM 721 C ALA A 50 12.170 18.291 -1.427 1.00 0.00 C ATOM 722 O ALA A 50 11.647 19.136 -2.152 1.00 0.00 O ATOM 723 CB ALA A 50 11.484 17.054 0.636 1.00 0.00 C ATOM 0 H ALA A 50 12.053 15.146 -0.807 1.00 0.00 H new ATOM 0 HA ALA A 50 10.312 17.286 -1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.165 18.001 1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.855 16.249 1.018 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.522 16.863 0.907 1.00 0.00 H new ATOM 729 N ALA A 51 13.451 18.333 -1.074 1.00 0.00 N ATOM 730 CA ALA A 51 14.335 19.398 -1.531 1.00 0.00 C ATOM 731 C ALA A 51 14.123 19.689 -3.013 1.00 0.00 C ATOM 732 O ALA A 51 13.684 20.777 -3.385 1.00 0.00 O ATOM 733 CB ALA A 51 15.787 19.028 -1.267 1.00 0.00 C ATOM 0 H ALA A 51 13.899 17.642 -0.473 1.00 0.00 H new ATOM 0 HA ALA A 51 14.094 20.302 -0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 51 16.436 19.832 -1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 51 15.935 18.877 -0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 51 16.031 18.109 -1.801 1.00 0.00 H new ATOM 739 N VAL A 52 14.438 18.710 -3.855 1.00 0.00 N ATOM 740 CA VAL A 52 14.281 18.861 -5.297 1.00 0.00 C ATOM 741 C VAL A 52 12.984 19.586 -5.635 1.00 0.00 C ATOM 742 O VAL A 52 12.990 20.600 -6.335 1.00 0.00 O ATOM 743 CB VAL A 52 14.294 17.495 -6.009 1.00 0.00 C ATOM 744 CG1 VAL A 52 14.205 17.679 -7.516 1.00 0.00 C ATOM 745 CG2 VAL A 52 15.540 16.710 -5.631 1.00 0.00 C ATOM 0 H VAL A 52 14.804 17.803 -3.563 1.00 0.00 H new ATOM 0 HA VAL A 52 15.127 19.453 -5.648 1.00 0.00 H new ATOM 0 HB VAL A 52 13.423 16.926 -5.685 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.215 16.704 -8.003 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.280 18.199 -7.765 1.00 0.00 H new ATOM 0 HG13 VAL A 52 15.056 18.266 -7.862 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.533 15.748 -6.143 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.427 17.271 -5.925 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.555 16.548 -4.553 1.00 0.00 H new ATOM 755 N LYS A 53 11.871 19.062 -5.134 1.00 0.00 N ATOM 756 CA LYS A 53 10.564 19.659 -5.380 1.00 0.00 C ATOM 757 C LYS A 53 10.527 21.106 -4.898 1.00 0.00 C ATOM 758 O LYS A 53 9.987 21.983 -5.573 1.00 0.00 O ATOM 759 CB LYS A 53 9.470 18.849 -4.681 1.00 0.00 C ATOM 760 CG LYS A 53 9.050 17.606 -5.447 1.00 0.00 C ATOM 761 CD LYS A 53 8.284 17.961 -6.710 1.00 0.00 C ATOM 762 CE LYS A 53 6.789 18.060 -6.446 1.00 0.00 C ATOM 763 NZ LYS A 53 6.253 16.819 -5.822 1.00 0.00 N ATOM 0 H LYS A 53 11.848 18.223 -4.554 1.00 0.00 H new ATOM 0 HA LYS A 53 10.384 19.648 -6.455 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.823 18.555 -3.693 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.598 19.485 -4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.933 17.023 -5.708 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.430 16.977 -4.809 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.649 18.910 -7.103 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.470 17.206 -7.474 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.591 18.910 -5.793 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.266 18.250 -7.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.239 16.733 -6.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.758 15.993 -6.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.387 16.863 -4.792 1.00 0.00 H new ATOM 777 N LYS A 54 11.106 21.349 -3.727 1.00 0.00 N ATOM 778 CA LYS A 54 11.143 22.690 -3.155 1.00 0.00 C ATOM 779 C LYS A 54 11.891 23.652 -4.071 1.00 0.00 C ATOM 780 O LYS A 54 11.346 24.671 -4.495 1.00 0.00 O ATOM 781 CB LYS A 54 11.807 22.660 -1.777 1.00 0.00 C ATOM 782 CG LYS A 54 11.295 23.733 -0.831 1.00 0.00 C ATOM 783 CD LYS A 54 11.643 23.416 0.613 1.00 0.00 C ATOM 784 CE LYS A 54 10.697 24.110 1.580 1.00 0.00 C ATOM 785 NZ LYS A 54 11.204 24.067 2.980 1.00 0.00 N ATOM 0 H LYS A 54 11.556 20.634 -3.155 1.00 0.00 H new ATOM 0 HA LYS A 54 10.117 23.042 -3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.644 21.681 -1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.884 22.779 -1.899 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.724 24.697 -1.106 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.214 23.824 -0.934 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.600 22.338 0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.667 23.727 0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.562 25.148 1.274 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.717 23.634 1.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.531 24.551 3.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.309 23.077 3.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.127 24.543 3.030 1.00 0.00 H new ATOM 799 N MET A 55 13.142 23.322 -4.374 1.00 0.00 N ATOM 800 CA MET A 55 13.963 24.156 -5.243 1.00 0.00 C ATOM 801 C MET A 55 13.164 24.636 -6.450 1.00 0.00 C ATOM 802 O MET A 55 13.419 25.714 -6.987 1.00 0.00 O ATOM 803 CB MET A 55 15.199 23.384 -5.710 1.00 0.00 C ATOM 804 CG MET A 55 15.986 22.753 -4.573 1.00 0.00 C ATOM 805 SD MET A 55 17.564 22.071 -5.115 1.00 0.00 S ATOM 806 CE MET A 55 18.668 23.431 -4.740 1.00 0.00 C ATOM 0 H MET A 55 13.609 22.483 -4.030 1.00 0.00 H new ATOM 0 HA MET A 55 14.283 25.027 -4.671 1.00 0.00 H new ATOM 0 HB2 MET A 55 14.889 22.603 -6.404 1.00 0.00 H new ATOM 0 HB3 MET A 55 15.852 24.060 -6.262 1.00 0.00 H new ATOM 0 HG2 MET A 55 16.164 23.501 -3.801 1.00 0.00 H new ATOM 0 HG3 MET A 55 15.390 21.962 -4.119 1.00 0.00 H new ATOM 0 HE1 MET A 55 19.592 23.316 -5.306 1.00 0.00 H new ATOM 0 HE2 MET A 55 18.191 24.373 -5.011 1.00 0.00 H new ATOM 0 HE3 MET A 55 18.894 23.433 -3.674 1.00 0.00 H new ATOM 816 N ALA A 56 12.196 23.829 -6.873 1.00 0.00 N ATOM 817 CA ALA A 56 11.359 24.173 -8.015 1.00 0.00 C ATOM 818 C ALA A 56 10.221 25.101 -7.602 1.00 0.00 C ATOM 819 O ALA A 56 9.970 26.118 -8.249 1.00 0.00 O ATOM 820 CB ALA A 56 10.806 22.912 -8.662 1.00 0.00 C ATOM 0 H ALA A 56 11.973 22.932 -6.441 1.00 0.00 H new ATOM 0 HA ALA A 56 11.977 24.700 -8.742 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.182 23.184 -9.514 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.631 22.285 -9.001 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.208 22.362 -7.935 1.00 0.00 H new ATOM 826 N LYS A 57 9.535 24.744 -6.522 1.00 0.00 N ATOM 827 CA LYS A 57 8.423 25.544 -6.022 1.00 0.00 C ATOM 828 C LYS A 57 8.836 27.003 -5.854 1.00 0.00 C ATOM 829 O LYS A 57 8.119 27.912 -6.272 1.00 0.00 O ATOM 830 CB LYS A 57 7.927 24.986 -4.686 1.00 0.00 C ATOM 831 CG LYS A 57 7.103 23.718 -4.825 1.00 0.00 C ATOM 832 CD LYS A 57 7.008 22.967 -3.508 1.00 0.00 C ATOM 833 CE LYS A 57 6.347 21.609 -3.686 1.00 0.00 C ATOM 834 NZ LYS A 57 5.866 21.052 -2.392 1.00 0.00 N ATOM 0 H LYS A 57 9.730 23.905 -5.975 1.00 0.00 H new ATOM 0 HA LYS A 57 7.615 25.495 -6.752 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.785 24.783 -4.045 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.327 25.746 -4.185 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.102 23.970 -5.174 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.551 23.073 -5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.006 22.835 -3.091 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.439 23.559 -2.791 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.508 21.701 -4.376 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.057 20.916 -4.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.422 20.126 -2.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.670 20.940 -1.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.169 21.700 -1.972 1.00 0.00 H new ATOM 848 N ALA A 58 9.995 27.218 -5.242 1.00 0.00 N ATOM 849 CA ALA A 58 10.504 28.567 -5.022 1.00 0.00 C ATOM 850 C ALA A 58 10.615 29.332 -6.336 1.00 0.00 C ATOM 851 O ALA A 58 10.359 30.535 -6.388 1.00 0.00 O ATOM 852 CB ALA A 58 11.855 28.514 -4.324 1.00 0.00 C ATOM 0 H ALA A 58 10.600 26.476 -4.889 1.00 0.00 H new ATOM 0 HA ALA A 58 9.798 29.096 -4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.223 29.528 -4.166 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.748 28.013 -3.362 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.563 27.963 -4.943 1.00 0.00 H new ATOM 858 N ILE A 59 10.999 28.627 -7.395 1.00 0.00 N ATOM 859 CA ILE A 59 11.143 29.242 -8.709 1.00 0.00 C ATOM 860 C ILE A 59 9.791 29.674 -9.266 1.00 0.00 C ATOM 861 O ILE A 59 9.667 30.743 -9.863 1.00 0.00 O ATOM 862 CB ILE A 59 11.814 28.281 -9.709 1.00 0.00 C ATOM 863 CG1 ILE A 59 13.192 27.856 -9.196 1.00 0.00 C ATOM 864 CG2 ILE A 59 11.931 28.937 -11.077 1.00 0.00 C ATOM 865 CD1 ILE A 59 13.765 26.660 -9.923 1.00 0.00 C ATOM 0 H ILE A 59 11.216 27.631 -7.369 1.00 0.00 H new ATOM 0 HA ILE A 59 11.776 30.120 -8.579 1.00 0.00 H new ATOM 0 HB ILE A 59 11.193 27.390 -9.807 1.00 0.00 H new ATOM 0 HG12 ILE A 59 13.881 28.695 -9.293 1.00 0.00 H new ATOM 0 HG13 ILE A 59 13.120 27.625 -8.133 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.407 28.246 -11.772 1.00 0.00 H new ATOM 0 HG22 ILE A 59 10.937 29.194 -11.444 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.533 29.842 -10.996 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.742 26.415 -9.507 1.00 0.00 H new ATOM 0 HD12 ILE A 59 13.096 25.807 -9.804 1.00 0.00 H new ATOM 0 HD13 ILE A 59 13.870 26.894 -10.982 1.00 0.00 H new ATOM 877 N MET A 60 8.779 28.836 -9.065 1.00 0.00 N ATOM 878 CA MET A 60 7.435 29.133 -9.544 1.00 0.00 C ATOM 879 C MET A 60 7.016 30.545 -9.149 1.00 0.00 C ATOM 880 O MET A 60 6.113 31.126 -9.750 1.00 0.00 O ATOM 881 CB MET A 60 6.435 28.117 -8.987 1.00 0.00 C ATOM 882 CG MET A 60 6.838 26.672 -9.230 1.00 0.00 C ATOM 883 SD MET A 60 5.637 25.496 -8.576 1.00 0.00 S ATOM 884 CE MET A 60 4.945 24.840 -10.092 1.00 0.00 C ATOM 0 H MET A 60 8.865 27.946 -8.574 1.00 0.00 H new ATOM 0 HA MET A 60 7.442 29.066 -10.632 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.324 28.279 -7.915 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.459 28.294 -9.439 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.956 26.507 -10.301 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.809 26.487 -8.770 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.347 23.957 -9.867 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.315 25.596 -10.561 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.752 24.567 -10.772 1.00 0.00 H new ATOM 894 N ALA A 61 7.678 31.091 -8.134 1.00 0.00 N ATOM 895 CA ALA A 61 7.376 32.436 -7.660 1.00 0.00 C ATOM 896 C ALA A 61 8.445 33.428 -8.104 1.00 0.00 C ATOM 897 O ALA A 61 8.153 34.396 -8.808 1.00 0.00 O ATOM 898 CB ALA A 61 7.243 32.444 -6.144 1.00 0.00 C ATOM 0 H ALA A 61 8.427 30.622 -7.624 1.00 0.00 H new ATOM 0 HA ALA A 61 6.427 32.744 -8.099 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.017 33.455 -5.804 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.438 31.773 -5.846 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.178 32.110 -5.695 1.00 0.00 H new ATOM 904 N ASP A 62 9.682 33.183 -7.689 1.00 0.00 N ATOM 905 CA ASP A 62 10.796 34.055 -8.045 1.00 0.00 C ATOM 906 C ASP A 62 11.605 33.462 -9.194 1.00 0.00 C ATOM 907 O ASP A 62 12.133 32.353 -9.106 1.00 0.00 O ATOM 908 CB ASP A 62 11.700 34.284 -6.833 1.00 0.00 C ATOM 909 CG ASP A 62 11.048 35.161 -5.782 1.00 0.00 C ATOM 910 OD1 ASP A 62 10.592 36.269 -6.134 1.00 0.00 O ATOM 911 OD2 ASP A 62 10.994 34.741 -4.607 1.00 0.00 O ATOM 0 H ASP A 62 9.940 32.387 -7.105 1.00 0.00 H new ATOM 0 HA ASP A 62 10.387 35.012 -8.369 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.959 33.322 -6.390 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.632 34.746 -7.160 1.00 0.00 H new ATOM 916 N PRO A 63 11.705 34.216 -10.299 1.00 0.00 N ATOM 917 CA PRO A 63 12.448 33.785 -11.486 1.00 0.00 C ATOM 918 C PRO A 63 13.955 33.757 -11.250 1.00 0.00 C ATOM 919 O PRO A 63 14.639 32.821 -11.659 1.00 0.00 O ATOM 920 CB PRO A 63 12.091 34.843 -12.532 1.00 0.00 C ATOM 921 CG PRO A 63 11.734 36.054 -11.740 1.00 0.00 C ATOM 922 CD PRO A 63 11.102 35.548 -10.473 1.00 0.00 C ATOM 0 HA PRO A 63 12.188 32.769 -11.781 1.00 0.00 H new ATOM 0 HB2 PRO A 63 12.931 35.039 -13.199 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.258 34.518 -13.155 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.618 36.653 -11.523 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.044 36.692 -12.292 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.319 36.201 -9.627 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.017 35.490 -10.561 1.00 0.00 H new ATOM 930 N ASN A 64 14.464 34.791 -10.587 1.00 0.00 N ATOM 931 CA ASN A 64 15.890 34.885 -10.296 1.00 0.00 C ATOM 932 C ASN A 64 16.420 33.565 -9.742 1.00 0.00 C ATOM 933 O ASN A 64 17.510 33.121 -10.103 1.00 0.00 O ATOM 934 CB ASN A 64 16.154 36.013 -9.297 1.00 0.00 C ATOM 935 CG ASN A 64 16.243 37.370 -9.967 1.00 0.00 C ATOM 936 OD1 ASN A 64 15.151 37.792 -10.595 1.00 0.00 O flip ATOM 937 ND2 ASN A 64 17.281 38.031 -9.921 1.00 0.00 N flip ATOM 0 H ASN A 64 13.910 35.575 -10.241 1.00 0.00 H new ATOM 0 HA ASN A 64 16.412 35.104 -11.227 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.357 36.030 -8.553 1.00 0.00 H new ATOM 0 HB3 ASN A 64 17.083 35.812 -8.764 1.00 0.00 H new ATOM 0 HD21 ASN A 64 18.096 37.667 -9.427 1.00 0.00 H new ATOM 0 HD22 ASN A 64 17.326 38.942 -10.377 1.00 0.00 H new ATOM 944 N LYS A 65 15.641 32.943 -8.865 1.00 0.00 N ATOM 945 CA LYS A 65 16.029 31.673 -8.262 1.00 0.00 C ATOM 946 C LYS A 65 16.172 30.588 -9.324 1.00 0.00 C ATOM 947 O LYS A 65 17.039 29.719 -9.225 1.00 0.00 O ATOM 948 CB LYS A 65 14.998 31.245 -7.215 1.00 0.00 C ATOM 949 CG LYS A 65 15.244 31.840 -5.840 1.00 0.00 C ATOM 950 CD LYS A 65 16.213 30.993 -5.031 1.00 0.00 C ATOM 951 CE LYS A 65 16.744 31.752 -3.825 1.00 0.00 C ATOM 952 NZ LYS A 65 17.656 30.913 -2.999 1.00 0.00 N ATOM 0 H LYS A 65 14.736 33.298 -8.555 1.00 0.00 H new ATOM 0 HA LYS A 65 16.995 31.810 -7.776 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.004 31.537 -7.555 1.00 0.00 H new ATOM 0 HB3 LYS A 65 15.002 30.158 -7.137 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.642 32.849 -5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.298 31.924 -5.305 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.713 30.084 -4.698 1.00 0.00 H new ATOM 0 HD3 LYS A 65 17.045 30.686 -5.664 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.275 32.643 -4.161 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.908 32.091 -3.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.996 31.466 -2.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 17.143 30.076 -2.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 18.467 30.610 -3.576 1.00 0.00 H new ATOM 966 N ALA A 66 15.317 30.644 -10.340 1.00 0.00 N ATOM 967 CA ALA A 66 15.351 29.668 -11.422 1.00 0.00 C ATOM 968 C ALA A 66 16.786 29.342 -11.823 1.00 0.00 C ATOM 969 O ALA A 66 17.213 28.189 -11.756 1.00 0.00 O ATOM 970 CB ALA A 66 14.569 30.182 -12.622 1.00 0.00 C ATOM 0 H ALA A 66 14.592 31.355 -10.436 1.00 0.00 H new ATOM 0 HA ALA A 66 14.884 28.750 -11.064 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.603 29.443 -13.422 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.533 30.357 -12.333 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.010 31.115 -12.971 1.00 0.00 H new ATOM 976 N ASP A 67 17.525 30.364 -12.240 1.00 0.00 N ATOM 977 CA ASP A 67 18.912 30.186 -12.652 1.00 0.00 C ATOM 978 C ASP A 67 19.729 29.531 -11.542 1.00 0.00 C ATOM 979 O ASP A 67 20.385 28.513 -11.761 1.00 0.00 O ATOM 980 CB ASP A 67 19.531 31.533 -13.029 1.00 0.00 C ATOM 981 CG ASP A 67 18.935 32.685 -12.244 1.00 0.00 C ATOM 982 OD1 ASP A 67 17.777 33.058 -12.525 1.00 0.00 O ATOM 983 OD2 ASP A 67 19.626 33.212 -11.348 1.00 0.00 O ATOM 0 H ASP A 67 17.187 31.324 -12.302 1.00 0.00 H new ATOM 0 HA ASP A 67 18.925 29.531 -13.523 1.00 0.00 H new ATOM 0 HB2 ASP A 67 20.606 31.497 -12.855 1.00 0.00 H new ATOM 0 HB3 ASP A 67 19.386 31.710 -14.095 1.00 0.00 H new ATOM 988 N GLU A 68 19.683 30.122 -10.352 1.00 0.00 N ATOM 989 CA GLU A 68 20.421 29.596 -9.210 1.00 0.00 C ATOM 990 C GLU A 68 20.238 28.085 -9.093 1.00 0.00 C ATOM 991 O GLU A 68 21.208 27.327 -9.120 1.00 0.00 O ATOM 992 CB GLU A 68 19.960 30.277 -7.920 1.00 0.00 C ATOM 993 CG GLU A 68 20.118 31.788 -7.940 1.00 0.00 C ATOM 994 CD GLU A 68 21.500 32.237 -7.506 1.00 0.00 C ATOM 995 OE1 GLU A 68 22.450 31.437 -7.632 1.00 0.00 O ATOM 996 OE2 GLU A 68 21.630 33.389 -7.042 1.00 0.00 O ATOM 0 H GLU A 68 19.143 30.964 -10.154 1.00 0.00 H new ATOM 0 HA GLU A 68 21.479 29.806 -9.366 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.913 30.032 -7.744 1.00 0.00 H new ATOM 0 HB3 GLU A 68 20.527 29.872 -7.082 1.00 0.00 H new ATOM 0 HG2 GLU A 68 19.920 32.157 -8.946 1.00 0.00 H new ATOM 0 HG3 GLU A 68 19.372 32.236 -7.284 1.00 0.00 H new ATOM 1003 N VAL A 69 18.987 27.655 -8.964 1.00 0.00 N ATOM 1004 CA VAL A 69 18.676 26.235 -8.844 1.00 0.00 C ATOM 1005 C VAL A 69 19.329 25.433 -9.963 1.00 0.00 C ATOM 1006 O VAL A 69 20.165 24.565 -9.712 1.00 0.00 O ATOM 1007 CB VAL A 69 17.155 25.990 -8.871 1.00 0.00 C ATOM 1008 CG1 VAL A 69 16.852 24.503 -8.770 1.00 0.00 C ATOM 1009 CG2 VAL A 69 16.472 26.759 -7.750 1.00 0.00 C ATOM 0 H VAL A 69 18.173 28.269 -8.940 1.00 0.00 H new ATOM 0 HA VAL A 69 19.073 25.904 -7.885 1.00 0.00 H new ATOM 0 HB VAL A 69 16.763 26.353 -9.821 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.773 24.349 -8.791 1.00 0.00 H new ATOM 0 HG12 VAL A 69 17.309 23.981 -9.610 1.00 0.00 H new ATOM 0 HG13 VAL A 69 17.256 24.112 -7.836 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.398 26.575 -7.784 1.00 0.00 H new ATOM 0 HG22 VAL A 69 16.867 26.429 -6.789 1.00 0.00 H new ATOM 0 HG23 VAL A 69 16.661 27.825 -7.873 1.00 0.00 H new ATOM 1019 N TYR A 70 18.942 25.729 -11.199 1.00 0.00 N ATOM 1020 CA TYR A 70 19.489 25.033 -12.358 1.00 0.00 C ATOM 1021 C TYR A 70 20.977 24.753 -12.173 1.00 0.00 C ATOM 1022 O TYR A 70 21.429 23.616 -12.313 1.00 0.00 O ATOM 1023 CB TYR A 70 19.268 25.860 -13.626 1.00 0.00 C ATOM 1024 CG TYR A 70 17.819 25.944 -14.050 1.00 0.00 C ATOM 1025 CD1 TYR A 70 17.007 24.816 -14.044 1.00 0.00 C ATOM 1026 CD2 TYR A 70 17.262 27.150 -14.456 1.00 0.00 C ATOM 1027 CE1 TYR A 70 15.683 24.888 -14.431 1.00 0.00 C ATOM 1028 CE2 TYR A 70 15.939 27.231 -14.843 1.00 0.00 C ATOM 1029 CZ TYR A 70 15.153 26.098 -14.829 1.00 0.00 C ATOM 1030 OH TYR A 70 13.835 26.174 -15.215 1.00 0.00 O ATOM 0 H TYR A 70 18.252 26.446 -11.424 1.00 0.00 H new ATOM 0 HA TYR A 70 18.968 24.081 -12.458 1.00 0.00 H new ATOM 0 HB2 TYR A 70 19.649 26.868 -13.463 1.00 0.00 H new ATOM 0 HB3 TYR A 70 19.851 25.426 -14.439 1.00 0.00 H new ATOM 0 HD1 TYR A 70 17.418 23.867 -13.732 1.00 0.00 H new ATOM 0 HD2 TYR A 70 17.874 28.040 -14.469 1.00 0.00 H new ATOM 0 HE1 TYR A 70 15.066 24.002 -14.422 1.00 0.00 H new ATOM 0 HE2 TYR A 70 15.522 28.177 -15.155 1.00 0.00 H new ATOM 0 HH TYR A 70 13.423 25.287 -15.149 1.00 0.00 H new ATOM 1040 N LYS A 71 21.735 25.797 -11.858 1.00 0.00 N ATOM 1041 CA LYS A 71 23.172 25.666 -11.651 1.00 0.00 C ATOM 1042 C LYS A 71 23.470 24.763 -10.458 1.00 0.00 C ATOM 1043 O LYS A 71 24.420 23.980 -10.481 1.00 0.00 O ATOM 1044 CB LYS A 71 23.804 27.043 -11.432 1.00 0.00 C ATOM 1045 CG LYS A 71 24.248 27.719 -12.718 1.00 0.00 C ATOM 1046 CD LYS A 71 23.087 28.410 -13.414 1.00 0.00 C ATOM 1047 CE LYS A 71 23.564 29.560 -14.286 1.00 0.00 C ATOM 1048 NZ LYS A 71 24.224 29.075 -15.530 1.00 0.00 N ATOM 0 H LYS A 71 21.377 26.745 -11.740 1.00 0.00 H new ATOM 0 HA LYS A 71 23.603 25.213 -12.544 1.00 0.00 H new ATOM 0 HB2 LYS A 71 23.087 27.686 -10.922 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.664 26.938 -10.771 1.00 0.00 H new ATOM 0 HG2 LYS A 71 25.027 28.449 -12.497 1.00 0.00 H new ATOM 0 HG3 LYS A 71 24.686 26.978 -13.387 1.00 0.00 H new ATOM 0 HD2 LYS A 71 22.547 27.688 -14.026 1.00 0.00 H new ATOM 0 HD3 LYS A 71 22.385 28.784 -12.669 1.00 0.00 H new ATOM 0 HE2 LYS A 71 22.716 30.193 -14.548 1.00 0.00 H new ATOM 0 HE3 LYS A 71 24.262 30.179 -13.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 24.535 29.889 -16.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 25.048 28.491 -15.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 23.550 28.506 -16.081 1.00 0.00 H new ATOM 1062 N LYS A 72 22.651 24.875 -9.418 1.00 0.00 N ATOM 1063 CA LYS A 72 22.824 24.067 -8.217 1.00 0.00 C ATOM 1064 C LYS A 72 22.671 22.583 -8.533 1.00 0.00 C ATOM 1065 O LYS A 72 23.612 21.805 -8.375 1.00 0.00 O ATOM 1066 CB LYS A 72 21.809 24.480 -7.149 1.00 0.00 C ATOM 1067 CG LYS A 72 22.151 25.788 -6.456 1.00 0.00 C ATOM 1068 CD LYS A 72 21.561 25.849 -5.057 1.00 0.00 C ATOM 1069 CE LYS A 72 20.164 26.450 -5.068 1.00 0.00 C ATOM 1070 NZ LYS A 72 20.200 27.935 -5.177 1.00 0.00 N ATOM 0 H LYS A 72 21.860 25.518 -9.383 1.00 0.00 H new ATOM 0 HA LYS A 72 23.831 24.237 -7.837 1.00 0.00 H new ATOM 0 HB2 LYS A 72 20.825 24.570 -7.610 1.00 0.00 H new ATOM 0 HB3 LYS A 72 21.740 23.690 -6.401 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.234 25.899 -6.400 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.775 26.623 -7.047 1.00 0.00 H new ATOM 0 HD2 LYS A 72 21.523 24.846 -4.633 1.00 0.00 H new ATOM 0 HD3 LYS A 72 22.209 26.443 -4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 72 19.598 26.038 -5.904 1.00 0.00 H new ATOM 0 HE3 LYS A 72 19.639 26.165 -4.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 19.318 28.273 -5.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.300 28.350 -4.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 21.008 28.220 -5.767 1.00 0.00 H new ATOM 1084 N TRP A 73 21.481 22.198 -8.979 1.00 0.00 N ATOM 1085 CA TRP A 73 21.206 20.806 -9.319 1.00 0.00 C ATOM 1086 C TRP A 73 22.384 20.184 -10.060 1.00 0.00 C ATOM 1087 O TRP A 73 23.009 19.243 -9.571 1.00 0.00 O ATOM 1088 CB TRP A 73 19.941 20.709 -10.173 1.00 0.00 C ATOM 1089 CG TRP A 73 18.677 20.766 -9.371 1.00 0.00 C ATOM 1090 CD1 TRP A 73 18.495 20.316 -8.094 1.00 0.00 C ATOM 1091 CD2 TRP A 73 17.417 21.300 -9.793 1.00 0.00 C ATOM 1092 NE1 TRP A 73 17.199 20.540 -7.696 1.00 0.00 N ATOM 1093 CE2 TRP A 73 16.518 21.143 -8.720 1.00 0.00 C ATOM 1094 CE3 TRP A 73 16.963 21.899 -10.971 1.00 0.00 C ATOM 1095 CZ2 TRP A 73 15.192 21.562 -8.794 1.00 0.00 C ATOM 1096 CZ3 TRP A 73 15.646 22.313 -11.042 1.00 0.00 C ATOM 1097 CH2 TRP A 73 14.774 22.144 -9.959 1.00 0.00 C ATOM 0 H TRP A 73 20.691 22.829 -9.114 1.00 0.00 H new ATOM 0 HA TRP A 73 21.053 20.254 -8.391 1.00 0.00 H new ATOM 0 HB2 TRP A 73 19.939 21.522 -10.900 1.00 0.00 H new ATOM 0 HB3 TRP A 73 19.963 19.777 -10.737 1.00 0.00 H new ATOM 0 HD1 TRP A 73 19.258 19.852 -7.486 1.00 0.00 H new ATOM 0 HE1 TRP A 73 16.808 20.297 -6.786 1.00 0.00 H new ATOM 0 HE3 TRP A 73 17.629 22.036 -11.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 14.517 21.432 -7.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 15.283 22.775 -11.948 1.00 0.00 H new ATOM 0 HH2 TRP A 73 13.751 22.480 -10.046 1.00 0.00 H new ATOM 1108 N ALA A 74 22.682 20.715 -11.241 1.00 0.00 N ATOM 1109 CA ALA A 74 23.787 20.212 -12.048 1.00 0.00 C ATOM 1110 C ALA A 74 24.964 19.800 -11.171 1.00 0.00 C ATOM 1111 O ALA A 74 25.559 18.741 -11.371 1.00 0.00 O ATOM 1112 CB ALA A 74 24.222 21.262 -13.060 1.00 0.00 C ATOM 0 H ALA A 74 22.174 21.494 -11.660 1.00 0.00 H new ATOM 0 HA ALA A 74 23.440 19.328 -12.584 1.00 0.00 H new ATOM 0 HB1 ALA A 74 25.048 20.873 -13.656 1.00 0.00 H new ATOM 0 HB2 ALA A 74 23.385 21.505 -13.715 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.545 22.161 -12.535 1.00 0.00 H new ATOM 1118 N ASP A 75 25.296 20.643 -10.199 1.00 0.00 N ATOM 1119 CA ASP A 75 26.402 20.366 -9.291 1.00 0.00 C ATOM 1120 C ASP A 75 26.085 19.172 -8.396 1.00 0.00 C ATOM 1121 O ASP A 75 26.885 18.245 -8.272 1.00 0.00 O ATOM 1122 CB ASP A 75 26.707 21.595 -8.433 1.00 0.00 C ATOM 1123 CG ASP A 75 28.132 21.603 -7.918 1.00 0.00 C ATOM 1124 OD1 ASP A 75 29.033 22.032 -8.669 1.00 0.00 O ATOM 1125 OD2 ASP A 75 28.347 21.181 -6.762 1.00 0.00 O ATOM 0 H ASP A 75 24.814 21.524 -10.020 1.00 0.00 H new ATOM 0 HA ASP A 75 27.279 20.125 -9.891 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.531 22.497 -9.020 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.019 21.625 -7.588 1.00 0.00 H new ATOM 1130 N LYS A 76 24.912 19.202 -7.773 1.00 0.00 N ATOM 1131 CA LYS A 76 24.486 18.123 -6.889 1.00 0.00 C ATOM 1132 C LYS A 76 24.680 16.765 -7.556 1.00 0.00 C ATOM 1133 O LYS A 76 25.160 15.819 -6.932 1.00 0.00 O ATOM 1134 CB LYS A 76 23.019 18.306 -6.496 1.00 0.00 C ATOM 1135 CG LYS A 76 22.824 19.129 -5.235 1.00 0.00 C ATOM 1136 CD LYS A 76 23.553 20.459 -5.319 1.00 0.00 C ATOM 1137 CE LYS A 76 25.009 20.325 -4.899 1.00 0.00 C ATOM 1138 NZ LYS A 76 25.529 21.581 -4.292 1.00 0.00 N ATOM 0 H LYS A 76 24.239 19.963 -7.864 1.00 0.00 H new ATOM 0 HA LYS A 76 25.102 18.158 -5.991 1.00 0.00 H new ATOM 0 HB2 LYS A 76 22.489 18.786 -7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 76 22.565 17.325 -6.353 1.00 0.00 H new ATOM 0 HG2 LYS A 76 21.760 19.306 -5.076 1.00 0.00 H new ATOM 0 HG3 LYS A 76 23.187 18.568 -4.374 1.00 0.00 H new ATOM 0 HD2 LYS A 76 23.501 20.840 -6.339 1.00 0.00 H new ATOM 0 HD3 LYS A 76 23.055 21.189 -4.681 1.00 0.00 H new ATOM 0 HE2 LYS A 76 25.107 19.508 -4.184 1.00 0.00 H new ATOM 0 HE3 LYS A 76 25.615 20.063 -5.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 26.524 21.449 -4.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 25.459 22.355 -4.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 24.968 21.818 -3.449 1.00 0.00 H new ATOM 1152 N GLY A 77 24.305 16.676 -8.828 1.00 0.00 N ATOM 1153 CA GLY A 77 24.447 15.430 -9.558 1.00 0.00 C ATOM 1154 C GLY A 77 23.110 14.814 -9.918 1.00 0.00 C ATOM 1155 O GLY A 77 22.867 13.638 -9.646 1.00 0.00 O ATOM 0 H GLY A 77 23.905 17.445 -9.366 1.00 0.00 H new ATOM 0 HA2 GLY A 77 25.018 15.609 -10.469 1.00 0.00 H new ATOM 0 HA3 GLY A 77 25.019 14.723 -8.957 1.00 0.00 H new ATOM 1159 N TYR A 78 22.239 15.609 -10.531 1.00 0.00 N ATOM 1160 CA TYR A 78 20.918 15.136 -10.925 1.00 0.00 C ATOM 1161 C TYR A 78 20.831 14.958 -12.437 1.00 0.00 C ATOM 1162 O TYR A 78 21.620 15.532 -13.189 1.00 0.00 O ATOM 1163 CB TYR A 78 19.841 16.114 -10.453 1.00 0.00 C ATOM 1164 CG TYR A 78 19.777 16.265 -8.950 1.00 0.00 C ATOM 1165 CD1 TYR A 78 19.292 15.238 -8.149 1.00 0.00 C ATOM 1166 CD2 TYR A 78 20.199 17.435 -8.331 1.00 0.00 C ATOM 1167 CE1 TYR A 78 19.231 15.372 -6.775 1.00 0.00 C ATOM 1168 CE2 TYR A 78 20.143 17.577 -6.958 1.00 0.00 C ATOM 1169 CZ TYR A 78 19.658 16.543 -6.184 1.00 0.00 C ATOM 1170 OH TYR A 78 19.599 16.681 -4.817 1.00 0.00 O ATOM 0 H TYR A 78 22.425 16.584 -10.766 1.00 0.00 H new ATOM 0 HA TYR A 78 20.752 14.167 -10.453 1.00 0.00 H new ATOM 0 HB2 TYR A 78 20.028 17.090 -10.900 1.00 0.00 H new ATOM 0 HB3 TYR A 78 18.871 15.777 -10.818 1.00 0.00 H new ATOM 0 HD1 TYR A 78 18.957 14.320 -8.608 1.00 0.00 H new ATOM 0 HD2 TYR A 78 20.577 18.248 -8.934 1.00 0.00 H new ATOM 0 HE1 TYR A 78 18.851 14.564 -6.167 1.00 0.00 H new ATOM 0 HE2 TYR A 78 20.477 18.493 -6.493 1.00 0.00 H new ATOM 0 HH TYR A 78 19.938 17.564 -4.562 1.00 0.00 H new ATOM 1180 N THR A 79 19.866 14.157 -12.879 1.00 0.00 N ATOM 1181 CA THR A 79 19.675 13.902 -14.301 1.00 0.00 C ATOM 1182 C THR A 79 18.206 14.028 -14.689 1.00 0.00 C ATOM 1183 O THR A 79 17.329 14.096 -13.828 1.00 0.00 O ATOM 1184 CB THR A 79 20.180 12.500 -14.692 1.00 0.00 C ATOM 1185 OG1 THR A 79 19.692 11.526 -13.763 1.00 0.00 O ATOM 1186 CG2 THR A 79 21.700 12.462 -14.724 1.00 0.00 C ATOM 0 H THR A 79 19.204 13.674 -12.272 1.00 0.00 H new ATOM 0 HA THR A 79 20.255 14.652 -14.838 1.00 0.00 H new ATOM 0 HB THR A 79 19.806 12.268 -15.689 1.00 0.00 H new ATOM 0 HG1 THR A 79 20.436 10.970 -13.451 1.00 0.00 H new ATOM 0 HG21 THR A 79 22.033 11.462 -15.002 1.00 0.00 H new ATOM 0 HG22 THR A 79 22.067 13.183 -15.454 1.00 0.00 H new ATOM 0 HG23 THR A 79 22.091 12.713 -13.738 1.00 0.00 H new ATOM 1194 N LEU A 80 17.944 14.057 -15.991 1.00 0.00 N ATOM 1195 CA LEU A 80 16.580 14.174 -16.495 1.00 0.00 C ATOM 1196 C LEU A 80 15.703 13.047 -15.958 1.00 0.00 C ATOM 1197 O LEU A 80 14.649 13.292 -15.369 1.00 0.00 O ATOM 1198 CB LEU A 80 16.577 14.153 -18.025 1.00 0.00 C ATOM 1199 CG LEU A 80 17.491 15.168 -18.712 1.00 0.00 C ATOM 1200 CD1 LEU A 80 17.504 14.943 -20.215 1.00 0.00 C ATOM 1201 CD2 LEU A 80 17.051 16.588 -18.387 1.00 0.00 C ATOM 0 H LEU A 80 18.658 14.001 -16.717 1.00 0.00 H new ATOM 0 HA LEU A 80 16.171 15.124 -16.150 1.00 0.00 H new ATOM 0 HB2 LEU A 80 16.863 13.154 -18.355 1.00 0.00 H new ATOM 0 HB3 LEU A 80 15.557 14.322 -18.369 1.00 0.00 H new ATOM 0 HG LEU A 80 18.504 15.028 -18.336 1.00 0.00 H new ATOM 0 HD11 LEU A 80 18.160 15.675 -20.687 1.00 0.00 H new ATOM 0 HD12 LEU A 80 17.868 13.938 -20.429 1.00 0.00 H new ATOM 0 HD13 LEU A 80 16.494 15.055 -20.608 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.713 17.297 -18.884 1.00 0.00 H new ATOM 0 HD22 LEU A 80 16.029 16.741 -18.734 1.00 0.00 H new ATOM 0 HD23 LEU A 80 17.095 16.745 -17.309 1.00 0.00 H new ATOM 1213 N THR A 81 16.146 11.811 -16.162 1.00 0.00 N ATOM 1214 CA THR A 81 15.403 10.646 -15.698 1.00 0.00 C ATOM 1215 C THR A 81 14.961 10.817 -14.249 1.00 0.00 C ATOM 1216 O THR A 81 13.770 10.762 -13.944 1.00 0.00 O ATOM 1217 CB THR A 81 16.241 9.360 -15.819 1.00 0.00 C ATOM 1218 OG1 THR A 81 16.788 9.253 -17.138 1.00 0.00 O ATOM 1219 CG2 THR A 81 15.396 8.132 -15.514 1.00 0.00 C ATOM 0 H THR A 81 17.016 11.591 -16.646 1.00 0.00 H new ATOM 0 HA THR A 81 14.523 10.558 -16.335 1.00 0.00 H new ATOM 0 HB THR A 81 17.052 9.413 -15.093 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.321 8.433 -17.206 1.00 0.00 H new ATOM 0 HG21 THR A 81 16.010 7.236 -15.606 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.006 8.202 -14.499 1.00 0.00 H new ATOM 0 HG23 THR A 81 14.566 8.077 -16.219 1.00 0.00 H new ATOM 1227 N GLN A 82 15.928 11.026 -13.362 1.00 0.00 N ATOM 1228 CA GLN A 82 15.637 11.205 -11.944 1.00 0.00 C ATOM 1229 C GLN A 82 14.891 12.513 -11.703 1.00 0.00 C ATOM 1230 O GLN A 82 13.733 12.510 -11.287 1.00 0.00 O ATOM 1231 CB GLN A 82 16.932 11.185 -11.130 1.00 0.00 C ATOM 1232 CG GLN A 82 17.487 9.788 -10.904 1.00 0.00 C ATOM 1233 CD GLN A 82 17.351 8.902 -12.126 1.00 0.00 C ATOM 1234 OE1 GLN A 82 16.356 8.194 -12.287 1.00 0.00 O ATOM 1235 NE2 GLN A 82 18.354 8.935 -12.996 1.00 0.00 N ATOM 0 H GLN A 82 16.919 11.076 -13.599 1.00 0.00 H new ATOM 0 HA GLN A 82 15.001 10.380 -11.622 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.683 11.787 -11.642 1.00 0.00 H new ATOM 0 HB3 GLN A 82 16.751 11.656 -10.164 1.00 0.00 H new ATOM 0 HG2 GLN A 82 18.539 9.859 -10.627 1.00 0.00 H new ATOM 0 HG3 GLN A 82 16.967 9.326 -10.065 1.00 0.00 H new ATOM 0 HE21 GLN A 82 19.160 9.536 -12.823 1.00 0.00 H new ATOM 0 HE22 GLN A 82 18.319 8.359 -13.837 1.00 0.00 H new ATOM 1244 N MET A 83 15.563 13.629 -11.966 1.00 0.00 N ATOM 1245 CA MET A 83 14.962 14.945 -11.778 1.00 0.00 C ATOM 1246 C MET A 83 13.480 14.922 -12.140 1.00 0.00 C ATOM 1247 O MET A 83 12.630 15.310 -11.338 1.00 0.00 O ATOM 1248 CB MET A 83 15.691 15.988 -12.628 1.00 0.00 C ATOM 1249 CG MET A 83 15.021 17.352 -12.621 1.00 0.00 C ATOM 1250 SD MET A 83 15.272 18.242 -11.073 1.00 0.00 S ATOM 1251 CE MET A 83 17.048 18.102 -10.886 1.00 0.00 C ATOM 0 H MET A 83 16.523 13.649 -12.310 1.00 0.00 H new ATOM 0 HA MET A 83 15.057 15.214 -10.726 1.00 0.00 H new ATOM 0 HB2 MET A 83 16.713 16.092 -12.263 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.754 15.628 -13.655 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.411 17.948 -13.446 1.00 0.00 H new ATOM 0 HG3 MET A 83 13.952 17.228 -12.795 1.00 0.00 H new ATOM 0 HE1 MET A 83 17.319 18.274 -9.844 1.00 0.00 H new ATOM 0 HE2 MET A 83 17.368 17.103 -11.184 1.00 0.00 H new ATOM 0 HE3 MET A 83 17.540 18.843 -11.516 1.00 0.00 H new ATOM 1261 N SER A 84 13.178 14.467 -13.351 1.00 0.00 N ATOM 1262 CA SER A 84 11.799 14.398 -13.820 1.00 0.00 C ATOM 1263 C SER A 84 10.918 13.669 -12.811 1.00 0.00 C ATOM 1264 O SER A 84 9.842 14.145 -12.452 1.00 0.00 O ATOM 1265 CB SER A 84 11.733 13.692 -15.176 1.00 0.00 C ATOM 1266 OG SER A 84 12.106 12.330 -15.059 1.00 0.00 O ATOM 0 H SER A 84 13.870 14.140 -14.026 1.00 0.00 H new ATOM 0 HA SER A 84 11.428 15.417 -13.931 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.722 13.763 -15.578 1.00 0.00 H new ATOM 0 HB3 SER A 84 12.393 14.194 -15.884 1.00 0.00 H new ATOM 0 HG SER A 84 12.949 12.263 -14.564 1.00 0.00 H new ATOM 1272 N ASN A 85 11.383 12.510 -12.357 1.00 0.00 N ATOM 1273 CA ASN A 85 10.638 11.713 -11.389 1.00 0.00 C ATOM 1274 C ASN A 85 10.380 12.508 -10.114 1.00 0.00 C ATOM 1275 O ASN A 85 9.266 12.514 -9.587 1.00 0.00 O ATOM 1276 CB ASN A 85 11.402 10.429 -11.058 1.00 0.00 C ATOM 1277 CG ASN A 85 11.036 9.283 -11.981 1.00 0.00 C ATOM 1278 OD1 ASN A 85 10.573 8.234 -11.533 1.00 0.00 O ATOM 1279 ND2 ASN A 85 11.243 9.480 -13.278 1.00 0.00 N ATOM 0 H ASN A 85 12.272 12.101 -12.644 1.00 0.00 H new ATOM 0 HA ASN A 85 9.678 11.452 -11.833 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.473 10.619 -11.127 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.195 10.142 -10.027 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.016 8.745 -13.948 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.629 10.366 -13.604 1.00 0.00 H new ATOM 1286 N PHE A 86 11.415 13.179 -9.621 1.00 0.00 N ATOM 1287 CA PHE A 86 11.301 13.979 -8.407 1.00 0.00 C ATOM 1288 C PHE A 86 10.299 15.114 -8.595 1.00 0.00 C ATOM 1289 O PHE A 86 9.309 15.210 -7.869 1.00 0.00 O ATOM 1290 CB PHE A 86 12.667 14.548 -8.016 1.00 0.00 C ATOM 1291 CG PHE A 86 13.663 13.497 -7.618 1.00 0.00 C ATOM 1292 CD1 PHE A 86 13.338 12.539 -6.670 1.00 0.00 C ATOM 1293 CD2 PHE A 86 14.924 13.467 -8.190 1.00 0.00 C ATOM 1294 CE1 PHE A 86 14.252 11.570 -6.302 1.00 0.00 C ATOM 1295 CE2 PHE A 86 15.842 12.500 -7.826 1.00 0.00 C ATOM 1296 CZ PHE A 86 15.507 11.552 -6.880 1.00 0.00 C ATOM 0 H PHE A 86 12.343 13.185 -10.044 1.00 0.00 H new ATOM 0 HA PHE A 86 10.942 13.331 -7.607 1.00 0.00 H new ATOM 0 HB2 PHE A 86 13.068 15.118 -8.854 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.538 15.246 -7.189 1.00 0.00 H new ATOM 0 HD1 PHE A 86 12.359 12.550 -6.214 1.00 0.00 H new ATOM 0 HD2 PHE A 86 15.193 14.207 -8.929 1.00 0.00 H new ATOM 0 HE1 PHE A 86 13.986 10.828 -5.564 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.821 12.486 -8.282 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.224 10.798 -6.592 1.00 0.00 H new ATOM 1306 N LEU A 87 10.564 15.972 -9.574 1.00 0.00 N ATOM 1307 CA LEU A 87 9.686 17.102 -9.858 1.00 0.00 C ATOM 1308 C LEU A 87 8.274 16.626 -10.184 1.00 0.00 C ATOM 1309 O LEU A 87 7.297 17.336 -9.944 1.00 0.00 O ATOM 1310 CB LEU A 87 10.241 17.924 -11.023 1.00 0.00 C ATOM 1311 CG LEU A 87 11.433 18.825 -10.701 1.00 0.00 C ATOM 1312 CD1 LEU A 87 11.972 19.472 -11.967 1.00 0.00 C ATOM 1313 CD2 LEU A 87 11.039 19.887 -9.684 1.00 0.00 C ATOM 0 H LEU A 87 11.379 15.907 -10.184 1.00 0.00 H new ATOM 0 HA LEU A 87 9.642 17.729 -8.967 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.534 17.238 -11.818 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.438 18.546 -11.418 1.00 0.00 H new ATOM 0 HG LEU A 87 12.222 18.210 -10.268 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.820 20.110 -11.717 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.293 18.697 -12.663 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.190 20.074 -12.430 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.900 20.519 -9.466 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.233 20.498 -10.090 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.702 19.405 -8.766 1.00 0.00 H new ATOM 1325 N LYS A 88 8.173 15.420 -10.732 1.00 0.00 N ATOM 1326 CA LYS A 88 6.881 14.846 -11.088 1.00 0.00 C ATOM 1327 C LYS A 88 6.025 14.620 -9.846 1.00 0.00 C ATOM 1328 O LYS A 88 6.342 13.777 -9.007 1.00 0.00 O ATOM 1329 CB LYS A 88 7.075 13.524 -11.834 1.00 0.00 C ATOM 1330 CG LYS A 88 7.189 13.686 -13.339 1.00 0.00 C ATOM 1331 CD LYS A 88 7.559 12.376 -14.015 1.00 0.00 C ATOM 1332 CE LYS A 88 6.325 11.548 -14.339 1.00 0.00 C ATOM 1333 NZ LYS A 88 5.669 12.000 -15.597 1.00 0.00 N ATOM 0 H LYS A 88 8.972 14.820 -10.939 1.00 0.00 H new ATOM 0 HA LYS A 88 6.366 15.552 -11.740 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.974 13.034 -11.461 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.237 12.864 -11.611 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.242 14.048 -13.740 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.942 14.440 -13.569 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.111 12.582 -14.932 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.222 11.804 -13.365 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.606 10.499 -14.432 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.615 11.616 -13.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 4.832 11.411 -15.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.378 12.994 -15.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.338 11.911 -16.389 1.00 0.00 H new ATOM 1433 N TYR A 95 5.211 21.031 -12.936 1.00 0.00 N ATOM 1434 CA TYR A 95 6.566 21.569 -12.945 1.00 0.00 C ATOM 1435 C TYR A 95 7.221 21.372 -14.308 1.00 0.00 C ATOM 1436 O TYR A 95 8.415 21.086 -14.400 1.00 0.00 O ATOM 1437 CB TYR A 95 7.411 20.900 -11.859 1.00 0.00 C ATOM 1438 CG TYR A 95 6.848 21.066 -10.466 1.00 0.00 C ATOM 1439 CD1 TYR A 95 7.121 22.204 -9.716 1.00 0.00 C ATOM 1440 CD2 TYR A 95 6.044 20.085 -9.898 1.00 0.00 C ATOM 1441 CE1 TYR A 95 6.610 22.360 -8.442 1.00 0.00 C ATOM 1442 CE2 TYR A 95 5.527 20.233 -8.626 1.00 0.00 C ATOM 1443 CZ TYR A 95 5.813 21.372 -7.902 1.00 0.00 C ATOM 1444 OH TYR A 95 5.301 21.523 -6.633 1.00 0.00 O ATOM 0 HA TYR A 95 6.506 22.638 -12.742 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.499 19.837 -12.082 1.00 0.00 H new ATOM 0 HB3 TYR A 95 8.418 21.316 -11.887 1.00 0.00 H new ATOM 0 HD1 TYR A 95 7.744 22.980 -10.137 1.00 0.00 H new ATOM 0 HD2 TYR A 95 5.820 19.191 -10.461 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.833 23.250 -7.872 1.00 0.00 H new ATOM 0 HE2 TYR A 95 4.902 19.462 -8.200 1.00 0.00 H new ATOM 0 HH TYR A 95 4.760 20.739 -6.403 1.00 0.00 H new ATOM 1454 N ASP A 96 6.432 21.529 -15.365 1.00 0.00 N ATOM 1455 CA ASP A 96 6.934 21.370 -16.725 1.00 0.00 C ATOM 1456 C ASP A 96 7.827 22.543 -17.114 1.00 0.00 C ATOM 1457 O ASP A 96 8.875 22.359 -17.734 1.00 0.00 O ATOM 1458 CB ASP A 96 5.770 21.251 -17.710 1.00 0.00 C ATOM 1459 CG ASP A 96 6.144 20.473 -18.957 1.00 0.00 C ATOM 1460 OD1 ASP A 96 7.326 20.526 -19.355 1.00 0.00 O ATOM 1461 OD2 ASP A 96 5.255 19.813 -19.534 1.00 0.00 O ATOM 0 H ASP A 96 5.442 21.766 -15.306 1.00 0.00 H new ATOM 0 HA ASP A 96 7.527 20.456 -16.763 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.930 20.761 -17.218 1.00 0.00 H new ATOM 0 HB3 ASP A 96 5.435 22.249 -17.994 1.00 0.00 H new ATOM 1466 N ARG A 97 7.405 23.749 -16.748 1.00 0.00 N ATOM 1467 CA ARG A 97 8.167 24.953 -17.061 1.00 0.00 C ATOM 1468 C ARG A 97 9.545 24.910 -16.408 1.00 0.00 C ATOM 1469 O ARG A 97 10.549 25.260 -17.028 1.00 0.00 O ATOM 1470 CB ARG A 97 7.408 26.197 -16.596 1.00 0.00 C ATOM 1471 CG ARG A 97 8.016 27.500 -17.087 1.00 0.00 C ATOM 1472 CD ARG A 97 7.686 27.753 -18.550 1.00 0.00 C ATOM 1473 NE ARG A 97 6.284 28.114 -18.739 1.00 0.00 N ATOM 1474 CZ ARG A 97 5.686 28.144 -19.926 1.00 0.00 C ATOM 1475 NH1 ARG A 97 6.366 27.835 -21.021 1.00 0.00 N ATOM 1476 NH2 ARG A 97 4.407 28.482 -20.017 1.00 0.00 N ATOM 0 H ARG A 97 6.540 23.919 -16.235 1.00 0.00 H new ATOM 0 HA ARG A 97 8.299 24.999 -18.142 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.377 26.134 -16.943 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.378 26.208 -15.506 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.645 28.327 -16.481 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.098 27.470 -16.957 1.00 0.00 H new ATOM 0 HD2 ARG A 97 8.321 28.552 -18.932 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.912 26.860 -19.133 1.00 0.00 H new ATOM 0 HE ARG A 97 5.733 28.356 -17.915 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.350 27.574 -20.954 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.906 27.859 -21.931 1.00 0.00 H new ATOM 0 HH21 ARG A 97 3.881 28.719 -19.176 1.00 0.00 H new ATOM 0 HH22 ARG A 97 3.949 28.505 -20.928 1.00 0.00 H new ATOM 1490 N VAL A 98 9.585 24.478 -15.151 1.00 0.00 N ATOM 1491 CA VAL A 98 10.839 24.389 -14.413 1.00 0.00 C ATOM 1492 C VAL A 98 11.755 23.328 -15.013 1.00 0.00 C ATOM 1493 O VAL A 98 12.880 23.621 -15.419 1.00 0.00 O ATOM 1494 CB VAL A 98 10.595 24.060 -12.928 1.00 0.00 C ATOM 1495 CG1 VAL A 98 11.916 23.907 -12.191 1.00 0.00 C ATOM 1496 CG2 VAL A 98 9.734 25.134 -12.280 1.00 0.00 C ATOM 0 H VAL A 98 8.763 24.184 -14.623 1.00 0.00 H new ATOM 0 HA VAL A 98 11.319 25.365 -14.487 1.00 0.00 H new ATOM 0 HB VAL A 98 10.061 23.112 -12.866 1.00 0.00 H new ATOM 0 HG11 VAL A 98 11.723 23.675 -11.144 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.493 23.099 -12.642 1.00 0.00 H new ATOM 0 HG13 VAL A 98 12.480 24.837 -12.259 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.571 24.886 -11.231 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.239 26.097 -12.351 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.774 25.189 -12.793 1.00 0.00 H new ATOM 1506 N TYR A 99 11.266 22.094 -15.066 1.00 0.00 N ATOM 1507 CA TYR A 99 12.042 20.988 -15.615 1.00 0.00 C ATOM 1508 C TYR A 99 12.647 21.363 -16.964 1.00 0.00 C ATOM 1509 O TYR A 99 13.810 21.069 -17.238 1.00 0.00 O ATOM 1510 CB TYR A 99 11.162 19.746 -15.766 1.00 0.00 C ATOM 1511 CG TYR A 99 11.827 18.620 -16.525 1.00 0.00 C ATOM 1512 CD1 TYR A 99 12.896 17.922 -15.975 1.00 0.00 C ATOM 1513 CD2 TYR A 99 11.389 18.255 -17.792 1.00 0.00 C ATOM 1514 CE1 TYR A 99 13.508 16.894 -16.665 1.00 0.00 C ATOM 1515 CE2 TYR A 99 11.994 17.227 -18.488 1.00 0.00 C ATOM 1516 CZ TYR A 99 13.053 16.550 -17.921 1.00 0.00 C ATOM 1517 OH TYR A 99 13.659 15.526 -18.612 1.00 0.00 O ATOM 0 H TYR A 99 10.337 21.834 -14.736 1.00 0.00 H new ATOM 0 HA TYR A 99 12.854 20.768 -14.922 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.880 19.388 -14.776 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.241 20.024 -16.279 1.00 0.00 H new ATOM 0 HD1 TYR A 99 13.254 18.188 -14.991 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.561 18.784 -18.240 1.00 0.00 H new ATOM 0 HE1 TYR A 99 14.338 16.362 -16.224 1.00 0.00 H new ATOM 0 HE2 TYR A 99 11.640 16.955 -19.471 1.00 0.00 H new ATOM 0 HH TYR A 99 13.218 15.411 -19.479 1.00 0.00 H new ATOM 1527 N ASN A 100 11.849 22.015 -17.802 1.00 0.00 N ATOM 1528 CA ASN A 100 12.304 22.432 -19.124 1.00 0.00 C ATOM 1529 C ASN A 100 13.685 23.077 -19.045 1.00 0.00 C ATOM 1530 O ASN A 100 14.652 22.569 -19.610 1.00 0.00 O ATOM 1531 CB ASN A 100 11.306 23.411 -19.745 1.00 0.00 C ATOM 1532 CG ASN A 100 10.135 22.705 -20.400 1.00 0.00 C ATOM 1533 OD1 ASN A 100 10.240 21.546 -20.801 1.00 0.00 O ATOM 1534 ND2 ASN A 100 9.011 23.403 -20.512 1.00 0.00 N ATOM 0 H ASN A 100 10.884 22.266 -17.590 1.00 0.00 H new ATOM 0 HA ASN A 100 12.372 21.545 -19.754 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.935 24.085 -18.973 1.00 0.00 H new ATOM 0 HB3 ASN A 100 11.817 24.025 -20.486 1.00 0.00 H new ATOM 0 HD21 ASN A 100 8.189 22.981 -20.945 1.00 0.00 H new ATOM 0 HD22 ASN A 100 8.969 24.361 -20.165 1.00 0.00 H new ATOM 1541 N GLY A 101 13.768 24.200 -18.338 1.00 0.00 N ATOM 1542 CA GLY A 101 15.033 24.897 -18.197 1.00 0.00 C ATOM 1543 C GLY A 101 16.189 23.951 -17.937 1.00 0.00 C ATOM 1544 O GLY A 101 17.240 24.054 -18.571 1.00 0.00 O ATOM 0 H GLY A 101 12.981 24.640 -17.860 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.232 25.469 -19.103 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.961 25.612 -17.378 1.00 0.00 H new ATOM 1548 N TYR A 102 15.997 23.028 -17.001 1.00 0.00 N ATOM 1549 CA TYR A 102 17.034 22.063 -16.655 1.00 0.00 C ATOM 1550 C TYR A 102 17.524 21.322 -17.895 1.00 0.00 C ATOM 1551 O TYR A 102 18.722 21.101 -18.068 1.00 0.00 O ATOM 1552 CB TYR A 102 16.506 21.063 -15.625 1.00 0.00 C ATOM 1553 CG TYR A 102 17.595 20.280 -14.927 1.00 0.00 C ATOM 1554 CD1 TYR A 102 18.729 20.916 -14.437 1.00 0.00 C ATOM 1555 CD2 TYR A 102 17.491 18.905 -14.758 1.00 0.00 C ATOM 1556 CE1 TYR A 102 19.728 20.205 -13.800 1.00 0.00 C ATOM 1557 CE2 TYR A 102 18.483 18.186 -14.121 1.00 0.00 C ATOM 1558 CZ TYR A 102 19.599 18.841 -13.644 1.00 0.00 C ATOM 1559 OH TYR A 102 20.591 18.128 -13.009 1.00 0.00 O ATOM 0 H TYR A 102 15.133 22.928 -16.468 1.00 0.00 H new ATOM 0 HA TYR A 102 17.874 22.609 -16.225 1.00 0.00 H new ATOM 0 HB2 TYR A 102 15.920 21.599 -14.878 1.00 0.00 H new ATOM 0 HB3 TYR A 102 15.830 20.366 -16.121 1.00 0.00 H new ATOM 0 HD1 TYR A 102 18.831 21.985 -14.556 1.00 0.00 H new ATOM 0 HD2 TYR A 102 16.619 18.389 -15.131 1.00 0.00 H new ATOM 0 HE1 TYR A 102 20.604 20.714 -13.427 1.00 0.00 H new ATOM 0 HE2 TYR A 102 18.386 17.118 -13.997 1.00 0.00 H new ATOM 0 HH TYR A 102 20.695 17.255 -13.442 1.00 0.00 H new ATOM 1569 N VAL A 103 16.586 20.941 -18.757 1.00 0.00 N ATOM 1570 CA VAL A 103 16.921 20.226 -19.983 1.00 0.00 C ATOM 1571 C VAL A 103 17.974 20.979 -20.788 1.00 0.00 C ATOM 1572 O VAL A 103 19.072 20.472 -21.021 1.00 0.00 O ATOM 1573 CB VAL A 103 15.676 20.008 -20.864 1.00 0.00 C ATOM 1574 CG1 VAL A 103 16.069 19.412 -22.207 1.00 0.00 C ATOM 1575 CG2 VAL A 103 14.669 19.119 -20.151 1.00 0.00 C ATOM 0 H VAL A 103 15.589 21.115 -18.629 1.00 0.00 H new ATOM 0 HA VAL A 103 17.320 19.257 -19.685 1.00 0.00 H new ATOM 0 HB VAL A 103 15.208 20.975 -21.047 1.00 0.00 H new ATOM 0 HG11 VAL A 103 15.176 19.265 -22.815 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.751 20.090 -22.721 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.562 18.453 -22.049 1.00 0.00 H new ATOM 0 HG21 VAL A 103 13.796 18.975 -20.787 1.00 0.00 H new ATOM 0 HG22 VAL A 103 15.125 18.152 -19.937 1.00 0.00 H new ATOM 0 HG23 VAL A 103 14.364 19.591 -19.217 1.00 0.00 H new ATOM 1585 N ILE A 104 17.632 22.191 -21.212 1.00 0.00 N ATOM 1586 CA ILE A 104 18.549 23.014 -21.990 1.00 0.00 C ATOM 1587 C ILE A 104 19.848 23.261 -21.229 1.00 0.00 C ATOM 1588 O ILE A 104 20.929 23.291 -21.818 1.00 0.00 O ATOM 1589 CB ILE A 104 17.917 24.370 -22.355 1.00 0.00 C ATOM 1590 CG1 ILE A 104 16.626 24.158 -23.148 1.00 0.00 C ATOM 1591 CG2 ILE A 104 18.900 25.217 -23.150 1.00 0.00 C ATOM 1592 CD1 ILE A 104 15.391 24.062 -22.279 1.00 0.00 C ATOM 0 H ILE A 104 16.727 22.624 -21.030 1.00 0.00 H new ATOM 0 HA ILE A 104 18.766 22.464 -22.906 1.00 0.00 H new ATOM 0 HB ILE A 104 17.674 24.900 -21.434 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.502 24.981 -23.852 1.00 0.00 H new ATOM 0 HG13 ILE A 104 16.717 23.246 -23.738 1.00 0.00 H new ATOM 0 HG21 ILE A 104 18.438 26.172 -23.400 1.00 0.00 H new ATOM 0 HG22 ILE A 104 19.795 25.392 -22.553 1.00 0.00 H new ATOM 0 HG23 ILE A 104 19.172 24.694 -24.067 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.514 23.912 -22.909 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.493 23.221 -21.593 1.00 0.00 H new ATOM 0 HD13 ILE A 104 15.275 24.984 -21.709 1.00 0.00 H new ATOM 1604 N HIS A 105 19.734 23.434 -19.916 1.00 0.00 N ATOM 1605 CA HIS A 105 20.900 23.676 -19.073 1.00 0.00 C ATOM 1606 C HIS A 105 21.838 22.473 -19.086 1.00 0.00 C ATOM 1607 O HIS A 105 23.058 22.625 -19.162 1.00 0.00 O ATOM 1608 CB HIS A 105 20.464 23.981 -17.639 1.00 0.00 C ATOM 1609 CG HIS A 105 21.609 24.192 -16.698 1.00 0.00 C ATOM 1610 ND1 HIS A 105 22.212 25.418 -16.509 1.00 0.00 N ATOM 1611 CD2 HIS A 105 22.261 23.326 -15.888 1.00 0.00 C ATOM 1612 CE1 HIS A 105 23.186 25.296 -15.624 1.00 0.00 C ATOM 1613 NE2 HIS A 105 23.236 24.036 -15.232 1.00 0.00 N ATOM 0 H HIS A 105 18.847 23.411 -19.413 1.00 0.00 H new ATOM 0 HA HIS A 105 21.435 24.537 -19.474 1.00 0.00 H new ATOM 0 HB2 HIS A 105 19.836 24.872 -17.640 1.00 0.00 H new ATOM 0 HB3 HIS A 105 19.849 23.159 -17.272 1.00 0.00 H new ATOM 0 HD2 HIS A 105 22.053 22.272 -15.778 1.00 0.00 H new ATOM 0 HE1 HIS A 105 23.831 26.091 -15.280 1.00 0.00 H new ATOM 0 HE2 HIS A 105 23.893 23.652 -14.552 1.00 0.00 H new ATOM 1622 N LEU A 106 21.262 21.278 -19.012 1.00 0.00 N ATOM 1623 CA LEU A 106 22.047 20.048 -19.015 1.00 0.00 C ATOM 1624 C LEU A 106 22.583 19.748 -20.411 1.00 0.00 C ATOM 1625 O LEU A 106 23.642 19.139 -20.562 1.00 0.00 O ATOM 1626 CB LEU A 106 21.197 18.877 -18.520 1.00 0.00 C ATOM 1627 CG LEU A 106 21.159 18.669 -17.005 1.00 0.00 C ATOM 1628 CD1 LEU A 106 20.538 17.322 -16.667 1.00 0.00 C ATOM 1629 CD2 LEU A 106 22.558 18.777 -16.416 1.00 0.00 C ATOM 0 H LEU A 106 20.254 21.135 -18.949 1.00 0.00 H new ATOM 0 HA LEU A 106 22.894 20.184 -18.342 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.176 19.021 -18.873 1.00 0.00 H new ATOM 0 HB3 LEU A 106 21.569 17.963 -18.983 1.00 0.00 H new ATOM 0 HG LEU A 106 20.541 19.452 -16.565 1.00 0.00 H new ATOM 0 HD11 LEU A 106 20.519 17.191 -15.585 1.00 0.00 H new ATOM 0 HD12 LEU A 106 19.520 17.283 -17.055 1.00 0.00 H new ATOM 0 HD13 LEU A 106 21.129 16.525 -17.119 1.00 0.00 H new ATOM 0 HD21 LEU A 106 22.511 18.626 -15.337 1.00 0.00 H new ATOM 0 HD22 LEU A 106 23.200 18.017 -16.861 1.00 0.00 H new ATOM 0 HD23 LEU A 106 22.966 19.765 -16.627 1.00 0.00 H new