USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 0 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 41 MET CE :methyl -163:sc= -0.424 (180deg=-0.555) USER MOD Set 1.2: A 76 MET CE :methyl -125:sc= -0.582 (180deg=-3.1!) USER MOD Set 2.1: A 39 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0126) USER MOD Set 2.2: A 40 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.025) USER MOD Single : A 7 TYR OH : rot -152:sc= 1.13 USER MOD Single : A 8 LYS NZ :NH3+ 167:sc= 0.754 (180deg=0.612) USER MOD Single : A 9 SER OG : rot 89:sc= 1.02 USER MOD Single : A 10 CYS SG : rot -170:sc= -1.19 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -1.93! K(o=-1.9!,f=-2.5) USER MOD Single : A 19 SER OG : rot -67:sc= 0.928 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -171:sc=-0.00552 (180deg=-0.142) USER MOD Single : A 25 SER OG : rot 49:sc= -0.0562 USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0125) USER MOD Single : A 30 LYS NZ :NH3+ -171:sc= 0.846 (180deg=0.682) USER MOD Single : A 32 GLN : amide:sc= -0.704 K(o=-0.7,f=-3.2) USER MOD Single : A 38 TYR OH : rot 9:sc= 1.2 USER MOD Single : A 42 LYS NZ :NH3+ -173:sc= 0.287 (180deg=0.163) USER MOD Single : A 44 TYR OH : rot 95:sc= 0.0218 USER MOD Single : A 48 SER OG : rot -36:sc= 1.04 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 178:sc= -0.803 (180deg=-0.813) USER MOD Single : A 58 THR OG1 : rot -76:sc= 1.02 USER MOD Single : A 59 ASN : amide:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 0.707 (180deg=0.528) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.0549 USER MOD Single : A 70 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0217) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -31:sc= 0.774 USER MOD Single : A 78 LYS NZ :NH3+ -178:sc= 0.625 (180deg=0.61) USER MOD ----------------------------------------------------------------- ATOM 6 N ASP A 2 0.804 -13.507 -4.795 1.00 0.00 N ATOM 7 CA ASP A 2 2.003 -13.114 -4.065 1.00 0.00 C ATOM 8 C ASP A 2 2.010 -11.607 -3.798 1.00 0.00 C ATOM 9 O ASP A 2 1.698 -10.815 -4.684 1.00 0.00 O ATOM 10 CB ASP A 2 3.249 -13.540 -4.845 1.00 0.00 C ATOM 11 CG ASP A 2 4.494 -12.893 -4.254 1.00 0.00 C ATOM 12 OD1 ASP A 2 4.693 -13.041 -3.029 1.00 0.00 O ATOM 13 OD2 ASP A 2 5.183 -12.200 -5.028 1.00 0.00 O ATOM 0 HA ASP A 2 2.007 -13.619 -3.099 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.348 -14.625 -4.819 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.145 -13.254 -5.892 1.00 0.00 H new ATOM 14 N GLY A 3 2.383 -11.224 -2.575 1.00 0.00 N ATOM 15 CA GLY A 3 2.446 -9.838 -2.163 1.00 0.00 C ATOM 16 C GLY A 3 3.402 -9.071 -3.063 1.00 0.00 C ATOM 17 O GLY A 3 2.979 -8.151 -3.755 1.00 0.00 O ATOM 0 H GLY A 3 2.651 -11.881 -1.842 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.453 -9.391 -2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.778 -9.773 -1.127 1.00 0.00 H new ATOM 18 N ALA A 4 4.677 -9.471 -3.093 1.00 0.00 N ATOM 19 CA ALA A 4 5.678 -8.802 -3.916 1.00 0.00 C ATOM 20 C ALA A 4 5.173 -8.626 -5.351 1.00 0.00 C ATOM 21 O ALA A 4 5.279 -7.534 -5.905 1.00 0.00 O ATOM 22 CB ALA A 4 6.995 -9.584 -3.900 1.00 0.00 C ATOM 0 H ALA A 4 5.037 -10.258 -2.553 1.00 0.00 H new ATOM 0 HA ALA A 4 5.859 -7.812 -3.496 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.731 -9.071 -4.519 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.366 -9.652 -2.877 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.827 -10.587 -4.292 1.00 0.00 H new ATOM 23 N ALA A 5 4.587 -9.678 -5.935 1.00 0.00 N ATOM 24 CA ALA A 5 4.085 -9.635 -7.301 1.00 0.00 C ATOM 25 C ALA A 5 3.025 -8.553 -7.498 1.00 0.00 C ATOM 26 O ALA A 5 2.995 -7.926 -8.555 1.00 0.00 O ATOM 27 CB ALA A 5 3.530 -11.003 -7.701 1.00 0.00 C ATOM 0 H ALA A 5 4.451 -10.576 -5.471 1.00 0.00 H new ATOM 0 HA ALA A 5 4.925 -9.381 -7.947 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.157 -10.959 -8.724 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.321 -11.750 -7.634 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.716 -11.276 -7.030 1.00 0.00 H new ATOM 28 N LEU A 6 2.144 -8.321 -6.525 1.00 0.00 N ATOM 29 CA LEU A 6 1.148 -7.291 -6.647 1.00 0.00 C ATOM 30 C LEU A 6 1.836 -5.939 -6.453 1.00 0.00 C ATOM 31 O LEU A 6 1.644 -5.002 -7.233 1.00 0.00 O ATOM 32 CB LEU A 6 0.108 -7.558 -5.559 1.00 0.00 C ATOM 33 CG LEU A 6 -0.708 -8.842 -5.788 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.416 -9.233 -4.486 1.00 0.00 C ATOM 35 CD2 LEU A 6 -1.734 -8.678 -6.911 1.00 0.00 C ATOM 0 H LEU A 6 2.111 -8.840 -5.648 1.00 0.00 H new ATOM 0 HA LEU A 6 0.660 -7.284 -7.622 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.612 -7.625 -4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.574 -6.709 -5.504 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.018 -9.629 -6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.995 -10.143 -4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.674 -9.407 -3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.083 -8.428 -4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.287 -9.609 -7.038 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.427 -7.876 -6.656 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.220 -8.432 -7.840 1.00 0.00 H new ATOM 36 N TYR A 7 2.686 -5.876 -5.424 1.00 0.00 N ATOM 37 CA TYR A 7 3.391 -4.675 -5.014 1.00 0.00 C ATOM 38 C TYR A 7 4.258 -4.039 -6.107 1.00 0.00 C ATOM 39 O TYR A 7 4.551 -2.844 -6.035 1.00 0.00 O ATOM 40 CB TYR A 7 4.203 -4.983 -3.751 1.00 0.00 C ATOM 41 CG TYR A 7 4.572 -3.764 -2.938 1.00 0.00 C ATOM 42 CD1 TYR A 7 3.610 -2.796 -2.583 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.868 -3.664 -2.418 1.00 0.00 C ATOM 44 CE1 TYR A 7 4.006 -1.622 -1.924 1.00 0.00 C ATOM 45 CE2 TYR A 7 6.206 -2.573 -1.613 1.00 0.00 C ATOM 46 CZ TYR A 7 5.349 -1.466 -1.545 1.00 0.00 C ATOM 47 OH TYR A 7 5.819 -0.281 -1.068 1.00 0.00 O ATOM 0 H TYR A 7 2.903 -6.685 -4.842 1.00 0.00 H new ATOM 0 HA TYR A 7 2.637 -3.917 -4.802 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.631 -5.665 -3.122 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.116 -5.504 -4.038 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.568 -2.958 -2.818 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.602 -4.425 -2.638 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.285 -0.847 -1.711 1.00 0.00 H new ATOM 0 HE2 TYR A 7 7.125 -2.583 -1.045 1.00 0.00 H new ATOM 0 HH TYR A 7 6.774 -0.202 -1.273 1.00 0.00 H new ATOM 48 N LYS A 8 4.673 -4.794 -7.129 1.00 0.00 N ATOM 49 CA LYS A 8 5.482 -4.232 -8.212 1.00 0.00 C ATOM 50 C LYS A 8 4.794 -2.999 -8.819 1.00 0.00 C ATOM 51 O LYS A 8 5.450 -2.021 -9.170 1.00 0.00 O ATOM 52 CB LYS A 8 5.743 -5.294 -9.287 1.00 0.00 C ATOM 53 CG LYS A 8 6.163 -6.614 -8.636 1.00 0.00 C ATOM 54 CD LYS A 8 6.884 -7.586 -9.564 1.00 0.00 C ATOM 55 CE LYS A 8 6.146 -7.852 -10.883 1.00 0.00 C ATOM 56 NZ LYS A 8 4.841 -8.502 -10.669 1.00 0.00 N ATOM 0 H LYS A 8 4.464 -5.787 -7.228 1.00 0.00 H new ATOM 0 HA LYS A 8 6.440 -3.915 -7.801 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.844 -5.445 -9.885 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.524 -4.950 -9.966 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.812 -6.394 -7.789 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.275 -7.105 -8.238 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.875 -7.192 -9.787 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.027 -8.532 -9.042 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.999 -6.910 -11.411 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.764 -8.483 -11.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.286 -8.464 -11.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.988 -9.494 -10.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.326 -8.007 -9.913 1.00 0.00 H new ATOM 57 N SER A 9 3.460 -3.022 -8.877 1.00 0.00 N ATOM 58 CA SER A 9 2.628 -1.951 -9.412 1.00 0.00 C ATOM 59 C SER A 9 2.643 -0.673 -8.554 1.00 0.00 C ATOM 60 O SER A 9 2.027 0.321 -8.928 1.00 0.00 O ATOM 61 CB SER A 9 1.183 -2.473 -9.489 1.00 0.00 C ATOM 62 OG SER A 9 1.145 -3.871 -9.730 1.00 0.00 O ATOM 0 H SER A 9 2.915 -3.816 -8.540 1.00 0.00 H new ATOM 0 HA SER A 9 3.029 -1.679 -10.388 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.665 -2.250 -8.557 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.649 -1.952 -10.283 1.00 0.00 H new ATOM 0 HG SER A 9 1.155 -4.351 -8.875 1.00 0.00 H new ATOM 63 N CYS A 10 3.311 -0.704 -7.399 1.00 0.00 N ATOM 64 CA CYS A 10 3.375 0.346 -6.393 1.00 0.00 C ATOM 65 C CYS A 10 4.771 0.947 -6.333 1.00 0.00 C ATOM 66 O CYS A 10 4.940 2.160 -6.174 1.00 0.00 O ATOM 67 CB CYS A 10 3.008 -0.305 -5.054 1.00 0.00 C ATOM 68 SG CYS A 10 1.642 -1.505 -5.142 1.00 0.00 S ATOM 0 H CYS A 10 3.857 -1.522 -7.128 1.00 0.00 H new ATOM 0 HA CYS A 10 2.689 1.158 -6.633 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.890 -0.807 -4.656 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.740 0.479 -4.346 1.00 0.00 H new ATOM 0 HG CYS A 10 1.276 -1.835 -3.939 1.00 0.00 H new ATOM 69 N ILE A 11 5.771 0.073 -6.480 1.00 0.00 N ATOM 70 CA ILE A 11 7.189 0.404 -6.489 1.00 0.00 C ATOM 71 C ILE A 11 7.459 1.626 -7.380 1.00 0.00 C ATOM 72 O ILE A 11 8.357 2.407 -7.079 1.00 0.00 O ATOM 73 CB ILE A 11 7.976 -0.865 -6.897 1.00 0.00 C ATOM 74 CG1 ILE A 11 8.622 -1.499 -5.655 1.00 0.00 C ATOM 75 CG2 ILE A 11 9.079 -0.594 -7.925 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.596 -2.059 -4.668 1.00 0.00 C ATOM 0 H ILE A 11 5.602 -0.926 -6.601 1.00 0.00 H new ATOM 0 HA ILE A 11 7.532 0.702 -5.498 1.00 0.00 H new ATOM 0 HB ILE A 11 7.250 -1.536 -7.357 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.291 -2.300 -5.969 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.234 -0.752 -5.150 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.590 -1.527 -8.165 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.638 -0.178 -8.831 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.795 0.116 -7.511 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.113 -2.493 -3.812 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.943 -1.256 -4.328 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.000 -2.828 -5.160 1.00 0.00 H new ATOM 77 N GLY A 12 6.687 1.810 -8.456 1.00 0.00 N ATOM 78 CA GLY A 12 6.819 2.956 -9.345 1.00 0.00 C ATOM 79 C GLY A 12 6.821 4.287 -8.577 1.00 0.00 C ATOM 80 O GLY A 12 7.627 5.163 -8.879 1.00 0.00 O ATOM 0 H GLY A 12 5.950 1.161 -8.731 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.743 2.866 -9.916 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.999 2.954 -10.063 1.00 0.00 H new ATOM 81 N CYS A 13 5.924 4.443 -7.595 1.00 0.00 N ATOM 82 CA CYS A 13 5.834 5.657 -6.777 1.00 0.00 C ATOM 83 C CYS A 13 6.623 5.478 -5.485 1.00 0.00 C ATOM 84 O CYS A 13 7.331 6.383 -5.051 1.00 0.00 O ATOM 85 CB CYS A 13 4.383 5.969 -6.388 1.00 0.00 C ATOM 86 SG CYS A 13 3.391 6.919 -7.568 1.00 0.00 S ATOM 0 H CYS A 13 5.239 3.729 -7.346 1.00 0.00 H new ATOM 0 HA CYS A 13 6.238 6.474 -7.375 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.873 5.024 -6.203 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.397 6.514 -5.444 1.00 0.00 H new ATOM 0 HG CYS A 13 2.195 7.093 -7.089 1.00 0.00 H new ATOM 87 N HIS A 14 6.469 4.313 -4.853 1.00 0.00 N ATOM 88 CA HIS A 14 7.093 3.997 -3.574 1.00 0.00 C ATOM 89 C HIS A 14 8.630 3.915 -3.653 1.00 0.00 C ATOM 90 O HIS A 14 9.316 4.057 -2.640 1.00 0.00 O ATOM 91 CB HIS A 14 6.356 2.769 -3.022 1.00 0.00 C ATOM 92 CG HIS A 14 4.977 3.171 -2.549 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.809 3.902 -1.387 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.713 3.082 -3.091 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.521 4.270 -1.319 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.774 3.714 -2.274 1.00 0.00 N ATOM 0 H HIS A 14 5.898 3.553 -5.224 1.00 0.00 H new ATOM 0 HA HIS A 14 6.980 4.805 -2.851 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.277 2.003 -3.794 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.921 2.334 -2.198 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.480 2.589 -4.023 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.131 4.944 -0.571 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.760 3.744 -2.381 1.00 0.00 H new ATOM 97 N GLY A 15 9.184 3.717 -4.850 1.00 0.00 N ATOM 98 CA GLY A 15 10.615 3.726 -5.094 1.00 0.00 C ATOM 99 C GLY A 15 11.384 2.511 -4.582 1.00 0.00 C ATOM 100 O GLY A 15 11.683 2.413 -3.388 1.00 0.00 O ATOM 0 H GLY A 15 8.633 3.543 -5.690 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.781 3.811 -6.168 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.037 4.620 -4.634 1.00 0.00 H new ATOM 101 N ALA A 16 11.725 1.611 -5.517 1.00 0.00 N ATOM 102 CA ALA A 16 12.520 0.389 -5.361 1.00 0.00 C ATOM 103 C ALA A 16 11.863 -0.689 -4.497 1.00 0.00 C ATOM 104 O ALA A 16 11.811 -1.851 -4.891 1.00 0.00 O ATOM 105 CB ALA A 16 13.907 0.738 -4.805 1.00 0.00 C ATOM 0 H ALA A 16 11.424 1.733 -6.484 1.00 0.00 H new ATOM 0 HA ALA A 16 12.602 -0.044 -6.358 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.493 -0.174 -4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.416 1.413 -5.493 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.799 1.223 -3.835 1.00 0.00 H new ATOM 106 N ASP A 17 11.373 -0.303 -3.323 1.00 0.00 N ATOM 107 CA ASP A 17 10.743 -1.120 -2.326 1.00 0.00 C ATOM 108 C ASP A 17 9.672 -0.248 -1.653 1.00 0.00 C ATOM 109 O ASP A 17 8.474 -0.483 -1.805 1.00 0.00 O ATOM 110 CB ASP A 17 11.845 -1.711 -1.413 1.00 0.00 C ATOM 111 CG ASP A 17 12.934 -0.711 -1.013 1.00 0.00 C ATOM 112 OD1 ASP A 17 12.609 0.228 -0.255 1.00 0.00 O ATOM 113 OD2 ASP A 17 14.069 -0.876 -1.508 1.00 0.00 O ATOM 0 H ASP A 17 11.417 0.674 -3.034 1.00 0.00 H new ATOM 0 HA ASP A 17 10.218 -1.994 -2.711 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.380 -2.105 -0.509 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.311 -2.553 -1.924 1.00 0.00 H new ATOM 114 N GLY A 18 10.091 0.803 -0.960 1.00 0.00 N ATOM 115 CA GLY A 18 9.243 1.775 -0.291 1.00 0.00 C ATOM 116 C GLY A 18 10.135 2.808 0.377 1.00 0.00 C ATOM 117 O GLY A 18 9.798 3.327 1.441 1.00 0.00 O ATOM 0 H GLY A 18 11.083 1.009 -0.845 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.577 2.255 -1.008 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.612 1.283 0.449 1.00 0.00 H new ATOM 118 N SER A 19 11.278 3.069 -0.264 1.00 0.00 N ATOM 119 CA SER A 19 12.305 3.970 0.216 1.00 0.00 C ATOM 120 C SER A 19 11.936 5.426 -0.037 1.00 0.00 C ATOM 121 O SER A 19 12.309 6.297 0.748 1.00 0.00 O ATOM 122 CB SER A 19 13.629 3.620 -0.476 1.00 0.00 C ATOM 123 OG SER A 19 13.545 3.775 -1.884 1.00 0.00 O ATOM 0 H SER A 19 11.512 2.640 -1.159 1.00 0.00 H new ATOM 0 HA SER A 19 12.406 3.850 1.295 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.422 4.258 -0.087 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.902 2.592 -0.239 1.00 0.00 H new ATOM 0 HG SER A 19 12.928 3.108 -2.250 1.00 0.00 H new ATOM 124 N LYS A 20 11.222 5.702 -1.131 1.00 0.00 N ATOM 125 CA LYS A 20 10.852 7.057 -1.474 1.00 0.00 C ATOM 126 C LYS A 20 9.505 7.397 -0.856 1.00 0.00 C ATOM 127 O LYS A 20 8.565 6.601 -0.885 1.00 0.00 O ATOM 128 CB LYS A 20 10.828 7.222 -2.999 1.00 0.00 C ATOM 129 CG LYS A 20 12.194 6.934 -3.647 1.00 0.00 C ATOM 130 CD LYS A 20 13.348 7.829 -3.169 1.00 0.00 C ATOM 131 CE LYS A 20 13.065 9.322 -3.374 1.00 0.00 C ATOM 132 NZ LYS A 20 14.245 10.139 -3.040 1.00 0.00 N ATOM 0 H LYS A 20 10.893 4.996 -1.789 1.00 0.00 H new ATOM 0 HA LYS A 20 11.591 7.751 -1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.081 6.550 -3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.520 8.238 -3.246 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.458 5.894 -3.453 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.095 7.042 -4.727 1.00 0.00 H new ATOM 0 HD2 LYS A 20 13.534 7.641 -2.112 1.00 0.00 H new ATOM 0 HD3 LYS A 20 14.258 7.559 -3.706 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.777 9.501 -4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.222 9.624 -2.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 14.024 11.144 -3.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.504 9.984 -2.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.041 9.866 -3.651 1.00 0.00 H new ATOM 133 N ALA A 21 9.426 8.595 -0.277 1.00 0.00 N ATOM 134 CA ALA A 21 8.206 9.112 0.308 1.00 0.00 C ATOM 135 C ALA A 21 7.298 9.442 -0.874 1.00 0.00 C ATOM 136 O ALA A 21 7.282 10.575 -1.348 1.00 0.00 O ATOM 137 CB ALA A 21 8.543 10.333 1.171 1.00 0.00 C ATOM 0 H ALA A 21 10.218 9.233 -0.204 1.00 0.00 H new ATOM 0 HA ALA A 21 7.703 8.407 0.970 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.629 10.728 1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.234 10.040 1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.006 11.100 0.551 1.00 0.00 H new ATOM 138 N ALA A 22 6.600 8.418 -1.374 1.00 0.00 N ATOM 139 CA ALA A 22 5.749 8.464 -2.550 1.00 0.00 C ATOM 140 C ALA A 22 5.034 9.790 -2.759 1.00 0.00 C ATOM 141 O ALA A 22 4.380 10.270 -1.839 1.00 0.00 O ATOM 142 CB ALA A 22 4.750 7.308 -2.530 1.00 0.00 C ATOM 0 H ALA A 22 6.619 7.493 -0.944 1.00 0.00 H new ATOM 0 HA ALA A 22 6.419 8.360 -3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.120 7.357 -3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.290 6.361 -2.519 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.127 7.381 -1.638 1.00 0.00 H new ATOM 143 N MET A 23 5.172 10.319 -3.986 1.00 0.00 N ATOM 144 CA MET A 23 4.632 11.553 -4.550 1.00 0.00 C ATOM 145 C MET A 23 4.209 12.567 -3.486 1.00 0.00 C ATOM 146 O MET A 23 4.939 13.522 -3.232 1.00 0.00 O ATOM 147 CB MET A 23 3.489 11.199 -5.510 1.00 0.00 C ATOM 148 CG MET A 23 3.979 10.465 -6.767 1.00 0.00 C ATOM 149 SD MET A 23 5.139 11.353 -7.841 1.00 0.00 S ATOM 150 CE MET A 23 4.125 12.767 -8.326 1.00 0.00 C ATOM 0 H MET A 23 5.732 9.828 -4.683 1.00 0.00 H new ATOM 0 HA MET A 23 5.425 12.055 -5.105 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.762 10.575 -4.989 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.972 12.112 -5.805 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.453 9.535 -6.453 1.00 0.00 H new ATOM 0 HG3 MET A 23 3.107 10.193 -7.362 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.633 13.327 -9.111 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.162 12.414 -8.696 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.967 13.414 -7.463 1.00 0.00 H new ATOM 151 N GLY A 24 3.052 12.376 -2.847 1.00 0.00 N ATOM 152 CA GLY A 24 2.571 13.256 -1.791 1.00 0.00 C ATOM 153 C GLY A 24 3.319 13.030 -0.471 1.00 0.00 C ATOM 154 O GLY A 24 2.706 12.993 0.593 1.00 0.00 O ATOM 0 H GLY A 24 2.422 11.600 -3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.689 14.294 -2.102 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.505 13.089 -1.637 1.00 0.00 H new ATOM 155 N SER A 25 4.649 12.907 -0.531 1.00 0.00 N ATOM 156 CA SER A 25 5.549 12.703 0.590 1.00 0.00 C ATOM 157 C SER A 25 5.056 11.583 1.509 1.00 0.00 C ATOM 158 O SER A 25 4.946 11.796 2.716 1.00 0.00 O ATOM 159 CB SER A 25 5.758 14.035 1.335 1.00 0.00 C ATOM 160 OG SER A 25 4.542 14.704 1.615 1.00 0.00 O ATOM 0 H SER A 25 5.148 12.951 -1.420 1.00 0.00 H new ATOM 0 HA SER A 25 6.518 12.374 0.215 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.286 13.844 2.269 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.395 14.685 0.736 1.00 0.00 H new ATOM 0 HG SER A 25 3.909 14.076 2.021 1.00 0.00 H new ATOM 161 N ALA A 26 4.782 10.383 0.977 1.00 0.00 N ATOM 162 CA ALA A 26 4.305 9.323 1.840 1.00 0.00 C ATOM 163 C ALA A 26 5.261 8.959 2.967 1.00 0.00 C ATOM 164 O ALA A 26 6.476 9.046 2.825 1.00 0.00 O ATOM 165 CB ALA A 26 4.078 8.064 1.005 1.00 0.00 C ATOM 0 H ALA A 26 4.881 10.139 -0.008 1.00 0.00 H new ATOM 0 HA ALA A 26 3.389 9.698 2.296 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.719 7.261 1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.337 8.269 0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.016 7.763 0.538 1.00 0.00 H new ATOM 166 N LYS A 27 4.708 8.518 4.097 1.00 0.00 N ATOM 167 CA LYS A 27 5.524 8.009 5.186 1.00 0.00 C ATOM 168 C LYS A 27 6.229 6.802 4.552 1.00 0.00 C ATOM 169 O LYS A 27 5.500 5.965 4.021 1.00 0.00 O ATOM 170 CB LYS A 27 4.641 7.550 6.358 1.00 0.00 C ATOM 171 CG LYS A 27 3.661 8.624 6.851 1.00 0.00 C ATOM 172 CD LYS A 27 2.875 8.152 8.086 1.00 0.00 C ATOM 173 CE LYS A 27 2.129 6.819 7.901 1.00 0.00 C ATOM 174 NZ LYS A 27 1.246 6.822 6.719 1.00 0.00 N ATOM 0 H LYS A 27 3.704 8.505 4.276 1.00 0.00 H new ATOM 0 HA LYS A 27 6.209 8.753 5.592 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.077 6.669 6.053 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.281 7.247 7.187 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.210 9.534 7.095 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.965 8.876 6.051 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.565 8.053 8.924 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.153 8.922 8.357 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.855 6.011 7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.536 6.612 8.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.717 5.928 6.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.578 7.616 6.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.820 6.924 5.857 1.00 0.00 H new ATOM 175 N PRO A 28 7.570 6.707 4.524 1.00 0.00 N ATOM 176 CA PRO A 28 8.287 5.601 3.898 1.00 0.00 C ATOM 177 C PRO A 28 7.575 4.261 4.095 1.00 0.00 C ATOM 178 O PRO A 28 7.516 3.754 5.214 1.00 0.00 O ATOM 179 CB PRO A 28 9.684 5.629 4.520 1.00 0.00 C ATOM 180 CG PRO A 28 9.902 7.128 4.727 1.00 0.00 C ATOM 181 CD PRO A 28 8.513 7.634 5.127 1.00 0.00 C ATOM 0 HA PRO A 28 8.336 5.713 2.815 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.725 5.076 5.458 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.434 5.194 3.860 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.641 7.324 5.504 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.260 7.612 3.818 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.401 7.657 6.211 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.348 8.650 4.768 1.00 0.00 H new ATOM 182 N VAL A 29 6.995 3.708 3.020 1.00 0.00 N ATOM 183 CA VAL A 29 6.271 2.447 3.115 1.00 0.00 C ATOM 184 C VAL A 29 7.245 1.378 3.638 1.00 0.00 C ATOM 185 O VAL A 29 6.834 0.491 4.385 1.00 0.00 O ATOM 186 CB VAL A 29 5.568 2.105 1.788 1.00 0.00 C ATOM 187 CG1 VAL A 29 4.921 0.721 1.820 1.00 0.00 C ATOM 188 CG2 VAL A 29 4.380 3.051 1.568 1.00 0.00 C ATOM 0 H VAL A 29 7.016 4.115 2.085 1.00 0.00 H new ATOM 0 HA VAL A 29 5.450 2.510 3.830 1.00 0.00 H new ATOM 0 HB VAL A 29 6.338 2.175 1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.437 0.523 0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.686 -0.034 2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.178 0.685 2.616 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.887 2.804 0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.671 2.942 2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.737 4.080 1.531 1.00 0.00 H new ATOM 189 N LYS A 30 8.534 1.463 3.271 1.00 0.00 N ATOM 190 CA LYS A 30 9.581 0.585 3.776 1.00 0.00 C ATOM 191 C LYS A 30 9.754 0.862 5.255 1.00 0.00 C ATOM 192 O LYS A 30 10.534 1.712 5.683 1.00 0.00 O ATOM 193 CB LYS A 30 10.860 0.786 2.976 1.00 0.00 C ATOM 194 CG LYS A 30 12.023 -0.177 3.267 1.00 0.00 C ATOM 195 CD LYS A 30 12.818 0.142 4.540 1.00 0.00 C ATOM 196 CE LYS A 30 14.138 -0.639 4.578 1.00 0.00 C ATOM 197 NZ LYS A 30 13.914 -2.096 4.588 1.00 0.00 N ATOM 0 H LYS A 30 8.874 2.157 2.605 1.00 0.00 H new ATOM 0 HA LYS A 30 9.311 -0.464 3.657 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.613 0.709 1.917 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.211 1.803 3.148 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.627 -1.189 3.347 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.705 -0.168 2.417 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.023 1.212 4.586 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.220 -0.105 5.417 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.744 -0.371 3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.704 -0.353 5.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.815 -2.584 4.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.234 -2.338 5.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.535 -2.395 3.667 1.00 0.00 H new ATOM 198 N GLY A 31 8.963 0.116 6.009 1.00 0.00 N ATOM 199 CA GLY A 31 8.926 0.160 7.459 1.00 0.00 C ATOM 200 C GLY A 31 7.511 0.188 8.022 1.00 0.00 C ATOM 201 O GLY A 31 7.353 0.036 9.232 1.00 0.00 O ATOM 0 H GLY A 31 8.308 -0.559 5.614 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.451 -0.709 7.856 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.465 1.043 7.803 1.00 0.00 H new ATOM 202 N GLN A 32 6.475 0.405 7.199 1.00 0.00 N ATOM 203 CA GLN A 32 5.124 0.404 7.720 1.00 0.00 C ATOM 204 C GLN A 32 4.812 -1.049 8.153 1.00 0.00 C ATOM 205 O GLN A 32 5.328 -1.990 7.553 1.00 0.00 O ATOM 206 CB GLN A 32 4.158 0.990 6.678 1.00 0.00 C ATOM 207 CG GLN A 32 4.273 2.519 6.423 1.00 0.00 C ATOM 208 CD GLN A 32 3.374 2.991 5.261 1.00 0.00 C ATOM 209 OE1 GLN A 32 2.534 2.224 4.810 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.543 4.200 4.700 1.00 0.00 N ATOM 0 H GLN A 32 6.554 0.578 6.197 1.00 0.00 H new ATOM 0 HA GLN A 32 5.005 1.045 8.593 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.317 0.472 5.733 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.138 0.771 6.994 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.001 3.057 7.331 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.310 2.771 6.202 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.242 4.842 5.073 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.972 4.476 3.901 1.00 0.00 H new ATOM 211 N GLY A 33 4.000 -1.257 9.198 1.00 0.00 N ATOM 212 CA GLY A 33 3.723 -2.599 9.745 1.00 0.00 C ATOM 213 C GLY A 33 2.479 -3.269 9.158 1.00 0.00 C ATOM 214 O GLY A 33 1.501 -2.578 8.922 1.00 0.00 O ATOM 0 H GLY A 33 3.516 -0.505 9.689 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.587 -3.239 9.564 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.605 -2.522 10.826 1.00 0.00 H new ATOM 215 N ALA A 34 2.462 -4.599 8.970 1.00 0.00 N ATOM 216 CA ALA A 34 1.362 -5.364 8.374 1.00 0.00 C ATOM 217 C ALA A 34 -0.008 -4.953 8.891 1.00 0.00 C ATOM 218 O ALA A 34 -0.930 -4.760 8.106 1.00 0.00 O ATOM 219 CB ALA A 34 1.536 -6.868 8.637 1.00 0.00 C ATOM 0 H ALA A 34 3.247 -5.191 9.241 1.00 0.00 H new ATOM 0 HA ALA A 34 1.406 -5.147 7.307 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.708 -7.415 8.185 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.476 -7.207 8.201 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.548 -7.050 9.712 1.00 0.00 H new ATOM 220 N GLU A 35 -0.147 -4.849 10.211 1.00 0.00 N ATOM 221 CA GLU A 35 -1.420 -4.469 10.816 1.00 0.00 C ATOM 222 C GLU A 35 -1.838 -3.085 10.311 1.00 0.00 C ATOM 223 O GLU A 35 -2.994 -2.862 9.950 1.00 0.00 O ATOM 224 CB GLU A 35 -1.285 -4.499 12.345 1.00 0.00 C ATOM 225 CG GLU A 35 -2.635 -4.268 13.036 1.00 0.00 C ATOM 226 CD GLU A 35 -2.489 -4.316 14.553 1.00 0.00 C ATOM 227 OE1 GLU A 35 -2.612 -5.432 15.102 1.00 0.00 O ATOM 228 OE2 GLU A 35 -2.243 -3.236 15.132 1.00 0.00 O ATOM 0 H GLU A 35 0.604 -5.022 10.879 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.199 -5.176 10.531 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.876 -5.460 12.656 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.577 -3.734 12.663 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.040 -3.301 12.737 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.348 -5.026 12.712 1.00 0.00 H new ATOM 229 N GLU A 36 -0.871 -2.167 10.283 1.00 0.00 N ATOM 230 CA GLU A 36 -1.030 -0.803 9.826 1.00 0.00 C ATOM 231 C GLU A 36 -1.476 -0.864 8.377 1.00 0.00 C ATOM 232 O GLU A 36 -2.592 -0.499 8.039 1.00 0.00 O ATOM 233 CB GLU A 36 0.338 -0.099 9.949 1.00 0.00 C ATOM 234 CG GLU A 36 0.293 1.382 10.332 1.00 0.00 C ATOM 235 CD GLU A 36 1.698 1.993 10.354 1.00 0.00 C ATOM 236 OE1 GLU A 36 2.669 1.237 10.107 1.00 0.00 O ATOM 237 OE2 GLU A 36 1.774 3.212 10.617 1.00 0.00 O ATOM 0 H GLU A 36 0.079 -2.371 10.592 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.765 -0.252 10.412 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.933 -0.629 10.693 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.861 -0.193 8.997 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.331 1.925 9.622 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.170 1.493 11.313 1.00 0.00 H new ATOM 238 N LEU A 37 -0.579 -1.389 7.552 1.00 0.00 N ATOM 239 CA LEU A 37 -0.708 -1.569 6.124 1.00 0.00 C ATOM 240 C LEU A 37 -2.086 -2.132 5.775 1.00 0.00 C ATOM 241 O LEU A 37 -2.764 -1.607 4.898 1.00 0.00 O ATOM 242 CB LEU A 37 0.420 -2.505 5.672 1.00 0.00 C ATOM 243 CG LEU A 37 1.818 -1.866 5.760 1.00 0.00 C ATOM 244 CD1 LEU A 37 2.905 -2.941 5.701 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.023 -0.931 4.574 1.00 0.00 C ATOM 0 H LEU A 37 0.322 -1.722 7.896 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.622 -0.615 5.604 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.402 -3.406 6.285 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.235 -2.815 4.644 1.00 0.00 H new ATOM 0 HG LEU A 37 1.886 -1.322 6.702 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.886 -2.470 5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.779 -3.632 6.535 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.825 -3.488 4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.012 -0.478 4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.939 -1.497 3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.264 -0.149 4.592 1.00 0.00 H new ATOM 246 N TYR A 38 -2.518 -3.183 6.471 1.00 0.00 N ATOM 247 CA TYR A 38 -3.802 -3.809 6.227 1.00 0.00 C ATOM 248 C TYR A 38 -4.959 -2.918 6.649 1.00 0.00 C ATOM 249 O TYR A 38 -5.896 -2.753 5.876 1.00 0.00 O ATOM 250 CB TYR A 38 -3.879 -5.132 6.979 1.00 0.00 C ATOM 251 CG TYR A 38 -5.220 -5.831 6.828 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.618 -6.346 5.578 1.00 0.00 C ATOM 253 CD2 TYR A 38 -6.159 -5.741 7.872 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.949 -6.762 5.374 1.00 0.00 C ATOM 255 CE2 TYR A 38 -7.484 -6.156 7.668 1.00 0.00 C ATOM 256 CZ TYR A 38 -7.885 -6.654 6.419 1.00 0.00 C ATOM 257 OH TYR A 38 -9.190 -7.007 6.244 1.00 0.00 O ATOM 0 H TYR A 38 -1.981 -3.620 7.220 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.887 -3.980 5.154 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.090 -5.793 6.620 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.688 -4.953 8.037 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.901 -6.422 4.774 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.859 -5.351 8.834 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.250 -7.163 4.417 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.198 -6.092 8.476 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.295 -7.452 5.377 1.00 0.00 H new ATOM 258 N LYS A 39 -4.938 -2.370 7.867 1.00 0.00 N ATOM 259 CA LYS A 39 -6.034 -1.525 8.318 1.00 0.00 C ATOM 260 C LYS A 39 -6.169 -0.315 7.389 1.00 0.00 C ATOM 261 O LYS A 39 -7.272 0.095 7.025 1.00 0.00 O ATOM 262 CB LYS A 39 -5.759 -1.108 9.768 1.00 0.00 C ATOM 263 CG LYS A 39 -6.890 -0.256 10.357 1.00 0.00 C ATOM 264 CD LYS A 39 -6.738 -0.076 11.876 1.00 0.00 C ATOM 265 CE LYS A 39 -5.381 0.503 12.299 1.00 0.00 C ATOM 266 NZ LYS A 39 -5.088 1.777 11.620 1.00 0.00 N ATOM 0 H LYS A 39 -4.186 -2.496 8.544 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.980 -2.065 8.285 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.623 -2.000 10.380 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.825 -0.547 9.811 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.898 0.721 9.874 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.849 -0.726 10.141 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.530 0.580 12.236 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.878 -1.041 12.363 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.373 0.657 13.378 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.594 -0.217 12.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.204 2.176 11.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.986 1.610 10.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.867 2.446 11.785 1.00 0.00 H new ATOM 267 N LYS A 40 -5.028 0.238 6.985 1.00 0.00 N ATOM 268 CA LYS A 40 -4.928 1.389 6.130 1.00 0.00 C ATOM 269 C LYS A 40 -5.469 1.044 4.746 1.00 0.00 C ATOM 270 O LYS A 40 -6.325 1.754 4.216 1.00 0.00 O ATOM 271 CB LYS A 40 -3.453 1.778 6.092 1.00 0.00 C ATOM 272 CG LYS A 40 -2.927 2.390 7.401 1.00 0.00 C ATOM 273 CD LYS A 40 -3.400 3.831 7.608 1.00 0.00 C ATOM 274 CE LYS A 40 -2.608 4.533 8.717 1.00 0.00 C ATOM 275 NZ LYS A 40 -2.755 3.856 10.016 1.00 0.00 N ATOM 0 H LYS A 40 -4.118 -0.128 7.263 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.518 2.229 6.497 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.862 0.894 5.855 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.298 2.492 5.283 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.256 1.779 8.242 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.837 2.366 7.397 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.293 4.387 6.676 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.460 3.833 7.860 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.553 4.566 8.443 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.947 5.565 8.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.303 4.427 10.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.765 3.741 10.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.301 2.921 9.974 1.00 0.00 H new ATOM 276 N MET A 41 -4.986 -0.054 4.155 1.00 0.00 N ATOM 277 CA MET A 41 -5.462 -0.467 2.854 1.00 0.00 C ATOM 278 C MET A 41 -6.936 -0.820 2.927 1.00 0.00 C ATOM 279 O MET A 41 -7.641 -0.504 1.987 1.00 0.00 O ATOM 280 CB MET A 41 -4.654 -1.633 2.296 1.00 0.00 C ATOM 281 CG MET A 41 -3.357 -1.122 1.662 1.00 0.00 C ATOM 282 SD MET A 41 -2.486 -2.322 0.631 1.00 0.00 S ATOM 283 CE MET A 41 -2.097 -3.543 1.893 1.00 0.00 C ATOM 0 H MET A 41 -4.273 -0.660 4.561 1.00 0.00 H new ATOM 0 HA MET A 41 -5.330 0.371 2.169 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.424 -2.340 3.093 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.243 -2.171 1.553 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.587 -0.245 1.057 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.687 -0.794 2.456 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.312 -4.206 1.528 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.754 -3.037 2.796 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.988 -4.127 2.121 1.00 0.00 H new ATOM 284 N LYS A 42 -7.441 -1.461 3.983 1.00 0.00 N ATOM 285 CA LYS A 42 -8.873 -1.733 4.051 1.00 0.00 C ATOM 286 C LYS A 42 -9.586 -0.376 4.022 1.00 0.00 C ATOM 287 O LYS A 42 -10.548 -0.175 3.280 1.00 0.00 O ATOM 288 CB LYS A 42 -9.231 -2.549 5.300 1.00 0.00 C ATOM 289 CG LYS A 42 -10.687 -3.011 5.167 1.00 0.00 C ATOM 290 CD LYS A 42 -11.161 -3.825 6.373 1.00 0.00 C ATOM 291 CE LYS A 42 -12.539 -4.443 6.091 1.00 0.00 C ATOM 292 NZ LYS A 42 -13.546 -3.428 5.723 1.00 0.00 N ATOM 0 H LYS A 42 -6.897 -1.792 4.780 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.193 -2.342 3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.567 -3.408 5.397 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.104 -1.945 6.198 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.331 -2.140 5.046 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.792 -3.612 4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.440 -4.612 6.595 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.215 -3.185 7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.450 -5.171 5.285 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.879 -4.985 6.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.483 -3.876 5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.568 -2.682 6.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.298 -3.010 4.803 1.00 0.00 H new ATOM 293 N GLY A 43 -9.069 0.571 4.811 1.00 0.00 N ATOM 294 CA GLY A 43 -9.570 1.928 4.858 1.00 0.00 C ATOM 295 C GLY A 43 -9.654 2.516 3.446 1.00 0.00 C ATOM 296 O GLY A 43 -10.671 3.096 3.074 1.00 0.00 O ATOM 0 H GLY A 43 -8.282 0.404 5.438 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.555 1.943 5.324 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.916 2.543 5.476 1.00 0.00 H new ATOM 297 N TYR A 44 -8.594 2.397 2.642 1.00 0.00 N ATOM 298 CA TYR A 44 -8.632 2.919 1.282 1.00 0.00 C ATOM 299 C TYR A 44 -9.549 2.067 0.396 1.00 0.00 C ATOM 300 O TYR A 44 -10.237 2.622 -0.454 1.00 0.00 O ATOM 301 CB TYR A 44 -7.220 2.961 0.683 1.00 0.00 C ATOM 302 CG TYR A 44 -6.310 4.083 1.146 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.743 5.425 1.116 1.00 0.00 C ATOM 304 CD2 TYR A 44 -4.958 3.803 1.414 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.874 6.457 1.509 1.00 0.00 C ATOM 306 CE2 TYR A 44 -4.069 4.848 1.703 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.530 6.167 1.791 1.00 0.00 C ATOM 308 OH TYR A 44 -3.664 7.138 2.183 1.00 0.00 O ATOM 0 H TYR A 44 -7.716 1.951 2.907 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.030 3.933 1.322 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.729 2.013 0.905 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.313 3.026 -0.401 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.745 5.660 0.790 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.604 2.783 1.397 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.239 7.470 1.594 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.022 4.634 1.859 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.616 7.158 3.162 1.00 0.00 H new ATOM 309 N ALA A 45 -9.554 0.745 0.588 1.00 0.00 N ATOM 310 CA ALA A 45 -10.314 -0.237 -0.172 1.00 0.00 C ATOM 311 C ALA A 45 -11.803 0.112 -0.162 1.00 0.00 C ATOM 312 O ALA A 45 -12.396 0.325 -1.217 1.00 0.00 O ATOM 313 CB ALA A 45 -10.134 -1.650 0.405 1.00 0.00 C ATOM 0 H ALA A 45 -8.993 0.312 1.322 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.936 -0.218 -1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.714 -2.360 -0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.080 -1.925 0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.480 -1.668 1.438 1.00 0.00 H new ATOM 314 N ASP A 46 -12.401 0.157 1.037 1.00 0.00 N ATOM 315 CA ASP A 46 -13.826 0.393 1.222 1.00 0.00 C ATOM 316 C ASP A 46 -14.162 1.226 2.463 1.00 0.00 C ATOM 317 O ASP A 46 -15.282 1.128 2.959 1.00 0.00 O ATOM 318 CB ASP A 46 -14.490 -0.989 1.317 1.00 0.00 C ATOM 319 CG ASP A 46 -14.332 -1.664 2.683 1.00 0.00 C ATOM 320 OD1 ASP A 46 -13.195 -1.660 3.204 1.00 0.00 O ATOM 321 OD2 ASP A 46 -15.344 -2.207 3.174 1.00 0.00 O ATOM 0 H ASP A 46 -11.895 0.028 1.913 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.196 0.978 0.380 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.552 -0.886 1.095 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.065 -1.638 0.551 1.00 0.00 H new ATOM 322 N GLY A 47 -13.243 2.064 2.954 1.00 0.00 N ATOM 323 CA GLY A 47 -13.485 2.872 4.153 1.00 0.00 C ATOM 324 C GLY A 47 -13.120 4.341 3.962 1.00 0.00 C ATOM 325 O GLY A 47 -12.949 5.061 4.942 1.00 0.00 O ATOM 0 H GLY A 47 -12.322 2.200 2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.537 2.797 4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.908 2.464 4.983 1.00 0.00 H new ATOM 326 N SER A 48 -13.015 4.782 2.703 1.00 0.00 N ATOM 327 CA SER A 48 -12.686 6.124 2.262 1.00 0.00 C ATOM 328 C SER A 48 -11.598 6.769 3.135 1.00 0.00 C ATOM 329 O SER A 48 -11.685 7.946 3.489 1.00 0.00 O ATOM 330 CB SER A 48 -14.013 6.881 2.200 1.00 0.00 C ATOM 331 OG SER A 48 -13.862 8.274 2.012 1.00 0.00 O ATOM 0 H SER A 48 -13.171 4.155 1.914 1.00 0.00 H new ATOM 0 HA SER A 48 -12.226 6.136 1.274 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.615 6.476 1.386 1.00 0.00 H new ATOM 0 HB3 SER A 48 -14.565 6.705 3.123 1.00 0.00 H new ATOM 0 HG SER A 48 -13.072 8.586 2.500 1.00 0.00 H new ATOM 332 N TYR A 49 -10.567 5.989 3.477 1.00 0.00 N ATOM 333 CA TYR A 49 -9.437 6.504 4.247 1.00 0.00 C ATOM 334 C TYR A 49 -8.718 7.543 3.380 1.00 0.00 C ATOM 335 O TYR A 49 -8.888 7.544 2.161 1.00 0.00 O ATOM 336 CB TYR A 49 -8.524 5.346 4.662 1.00 0.00 C ATOM 337 CG TYR A 49 -7.209 5.727 5.314 1.00 0.00 C ATOM 338 CD1 TYR A 49 -7.182 6.542 6.461 1.00 0.00 C ATOM 339 CD2 TYR A 49 -6.000 5.319 4.724 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.957 7.044 6.935 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.781 5.841 5.180 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.759 6.723 6.273 1.00 0.00 C ATOM 343 OH TYR A 49 -3.574 7.185 6.762 1.00 0.00 O ATOM 0 H TYR A 49 -10.495 5.002 3.232 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.764 6.986 5.168 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.075 4.706 5.351 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.306 4.748 3.777 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.100 6.781 6.976 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.010 4.601 3.917 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.936 7.677 7.809 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.859 5.565 4.691 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.841 6.874 6.191 1.00 0.00 H new ATOM 372 N LYS A 54 -5.010 10.045 -1.589 1.00 0.00 N ATOM 373 CA LYS A 54 -5.988 9.075 -1.172 1.00 0.00 C ATOM 374 C LYS A 54 -6.721 8.426 -2.348 1.00 0.00 C ATOM 375 O LYS A 54 -6.941 7.222 -2.356 1.00 0.00 O ATOM 376 CB LYS A 54 -6.986 9.811 -0.286 1.00 0.00 C ATOM 377 CG LYS A 54 -7.791 10.972 -0.894 1.00 0.00 C ATOM 378 CD LYS A 54 -8.700 11.627 0.158 1.00 0.00 C ATOM 379 CE LYS A 54 -9.883 10.726 0.543 1.00 0.00 C ATOM 380 NZ LYS A 54 -10.756 11.372 1.538 1.00 0.00 N ATOM 0 HA LYS A 54 -5.485 8.264 -0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.697 9.077 0.092 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.441 10.200 0.574 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.108 11.717 -1.303 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.396 10.604 -1.723 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.115 11.857 1.049 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.077 12.574 -0.229 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.462 10.485 -0.348 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.508 9.784 0.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.544 10.735 1.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.209 11.579 2.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.133 12.258 1.146 1.00 0.00 H new ATOM 381 N ALA A 55 -7.107 9.231 -3.343 1.00 0.00 N ATOM 382 CA ALA A 55 -7.845 8.770 -4.509 1.00 0.00 C ATOM 383 C ALA A 55 -7.034 7.761 -5.317 1.00 0.00 C ATOM 384 O ALA A 55 -7.565 6.732 -5.729 1.00 0.00 O ATOM 385 CB ALA A 55 -8.224 9.974 -5.374 1.00 0.00 C ATOM 0 H ALA A 55 -6.910 10.232 -3.355 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.750 8.264 -4.173 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.777 9.633 -6.249 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.846 10.657 -4.795 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.319 10.491 -5.695 1.00 0.00 H new ATOM 386 N MET A 56 -5.752 8.052 -5.545 1.00 0.00 N ATOM 387 CA MET A 56 -4.875 7.168 -6.296 1.00 0.00 C ATOM 388 C MET A 56 -4.759 5.858 -5.519 1.00 0.00 C ATOM 389 O MET A 56 -4.867 4.769 -6.086 1.00 0.00 O ATOM 390 CB MET A 56 -3.499 7.821 -6.508 1.00 0.00 C ATOM 391 CG MET A 56 -3.559 9.075 -7.395 1.00 0.00 C ATOM 392 SD MET A 56 -4.156 10.603 -6.618 1.00 0.00 S ATOM 393 CE MET A 56 -4.285 11.665 -8.072 1.00 0.00 C ATOM 0 H MET A 56 -5.299 8.904 -5.214 1.00 0.00 H new ATOM 0 HA MET A 56 -5.285 6.973 -7.287 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.077 8.088 -5.539 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.824 7.095 -6.961 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.559 9.262 -7.786 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.200 8.856 -8.249 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.641 12.651 -7.772 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.306 11.760 -8.541 1.00 0.00 H new ATOM 0 HE3 MET A 56 -4.986 11.226 -8.782 1.00 0.00 H new ATOM 394 N MET A 57 -4.577 5.983 -4.202 1.00 0.00 N ATOM 395 CA MET A 57 -4.466 4.836 -3.327 1.00 0.00 C ATOM 396 C MET A 57 -5.748 3.996 -3.407 1.00 0.00 C ATOM 397 O MET A 57 -5.688 2.839 -3.814 1.00 0.00 O ATOM 398 CB MET A 57 -4.097 5.325 -1.916 1.00 0.00 C ATOM 399 CG MET A 57 -2.567 5.454 -1.769 1.00 0.00 C ATOM 400 SD MET A 57 -1.615 3.956 -2.172 1.00 0.00 S ATOM 401 CE MET A 57 -2.510 2.709 -1.213 1.00 0.00 C ATOM 0 H MET A 57 -4.504 6.881 -3.724 1.00 0.00 H new ATOM 0 HA MET A 57 -3.665 4.165 -3.637 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.569 6.289 -1.724 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.482 4.628 -1.171 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.224 6.265 -2.411 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.341 5.743 -0.743 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.065 1.729 -1.386 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.449 2.953 -0.152 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.555 2.693 -1.522 1.00 0.00 H new ATOM 402 N THR A 58 -6.912 4.549 -3.063 1.00 0.00 N ATOM 403 CA THR A 58 -8.192 3.856 -3.153 1.00 0.00 C ATOM 404 C THR A 58 -8.377 3.262 -4.549 1.00 0.00 C ATOM 405 O THR A 58 -8.846 2.138 -4.656 1.00 0.00 O ATOM 406 CB THR A 58 -9.332 4.815 -2.770 1.00 0.00 C ATOM 407 OG1 THR A 58 -9.249 5.065 -1.385 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.726 4.239 -3.054 1.00 0.00 C ATOM 0 H THR A 58 -6.990 5.503 -2.710 1.00 0.00 H new ATOM 0 HA THR A 58 -8.210 3.025 -2.448 1.00 0.00 H new ATOM 0 HB THR A 58 -9.213 5.716 -3.372 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.585 4.288 -0.892 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.486 4.964 -2.762 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.821 4.023 -4.118 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.863 3.320 -2.484 1.00 0.00 H new ATOM 409 N ASN A 59 -8.012 3.964 -5.624 1.00 0.00 N ATOM 410 CA ASN A 59 -8.144 3.401 -6.964 1.00 0.00 C ATOM 411 C ASN A 59 -7.331 2.104 -7.078 1.00 0.00 C ATOM 412 O ASN A 59 -7.843 1.087 -7.541 1.00 0.00 O ATOM 413 CB ASN A 59 -7.696 4.429 -8.009 1.00 0.00 C ATOM 414 CG ASN A 59 -7.647 3.816 -9.405 1.00 0.00 C ATOM 415 OD1 ASN A 59 -8.635 3.825 -10.130 1.00 0.00 O ATOM 416 ND2 ASN A 59 -6.493 3.287 -9.803 1.00 0.00 N ATOM 0 H ASN A 59 -7.629 4.909 -5.592 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.190 3.158 -7.150 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.382 5.276 -8.006 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.711 4.814 -7.744 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -6.415 2.875 -10.733 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.687 3.293 -9.178 1.00 0.00 H new ATOM 417 N ALA A 60 -6.065 2.128 -6.648 1.00 0.00 N ATOM 418 CA ALA A 60 -5.193 0.959 -6.717 1.00 0.00 C ATOM 419 C ALA A 60 -5.655 -0.182 -5.802 1.00 0.00 C ATOM 420 O ALA A 60 -5.599 -1.353 -6.168 1.00 0.00 O ATOM 421 CB ALA A 60 -3.775 1.376 -6.310 1.00 0.00 C ATOM 0 H ALA A 60 -5.622 2.954 -6.246 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.223 0.589 -7.742 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.114 0.511 -6.357 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.413 2.147 -6.990 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.789 1.767 -5.293 1.00 0.00 H new ATOM 422 N VAL A 61 -6.097 0.169 -4.598 1.00 0.00 N ATOM 423 CA VAL A 61 -6.494 -0.744 -3.536 1.00 0.00 C ATOM 424 C VAL A 61 -7.897 -1.334 -3.691 1.00 0.00 C ATOM 425 O VAL A 61 -8.086 -2.517 -3.424 1.00 0.00 O ATOM 426 CB VAL A 61 -6.329 0.055 -2.233 1.00 0.00 C ATOM 427 CG1 VAL A 61 -6.829 -0.648 -0.983 1.00 0.00 C ATOM 428 CG2 VAL A 61 -4.856 0.381 -1.962 1.00 0.00 C ATOM 0 H VAL A 61 -6.192 1.147 -4.325 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.866 -1.635 -3.556 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.935 0.944 -2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.670 -0.006 -0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.893 -0.861 -1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.283 -1.582 -0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.773 0.946 -1.034 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.288 -0.545 -1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.457 0.974 -2.785 1.00 0.00 H new ATOM 429 N LYS A 62 -8.894 -0.553 -4.103 1.00 0.00 N ATOM 430 CA LYS A 62 -10.267 -1.028 -4.233 1.00 0.00 C ATOM 431 C LYS A 62 -10.356 -2.247 -5.155 1.00 0.00 C ATOM 432 O LYS A 62 -11.213 -3.104 -4.954 1.00 0.00 O ATOM 433 CB LYS A 62 -11.163 0.124 -4.708 1.00 0.00 C ATOM 434 CG LYS A 62 -12.649 -0.247 -4.651 1.00 0.00 C ATOM 435 CD LYS A 62 -13.511 0.993 -4.907 1.00 0.00 C ATOM 436 CE LYS A 62 -14.997 0.636 -4.802 1.00 0.00 C ATOM 437 NZ LYS A 62 -15.848 1.818 -5.021 1.00 0.00 N ATOM 0 H LYS A 62 -8.771 0.427 -4.356 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.622 -1.360 -3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.984 1.002 -4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.895 0.395 -5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.869 -1.013 -5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.889 -0.671 -3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.265 1.771 -4.185 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.296 1.397 -5.896 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.241 -0.132 -5.536 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.203 0.214 -3.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.848 1.545 -4.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.630 2.540 -4.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -15.667 2.205 -5.969 1.00 0.00 H new ATOM 438 N LYS A 63 -9.470 -2.348 -6.152 1.00 0.00 N ATOM 439 CA LYS A 63 -9.469 -3.487 -7.059 1.00 0.00 C ATOM 440 C LYS A 63 -8.766 -4.715 -6.449 1.00 0.00 C ATOM 441 O LYS A 63 -8.495 -5.669 -7.177 1.00 0.00 O ATOM 442 CB LYS A 63 -8.853 -3.081 -8.406 1.00 0.00 C ATOM 443 CG LYS A 63 -7.398 -2.609 -8.283 1.00 0.00 C ATOM 444 CD LYS A 63 -6.637 -2.656 -9.616 1.00 0.00 C ATOM 445 CE LYS A 63 -6.598 -4.048 -10.269 1.00 0.00 C ATOM 446 NZ LYS A 63 -6.327 -5.119 -9.293 1.00 0.00 N ATOM 0 H LYS A 63 -8.749 -1.654 -6.346 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.502 -3.788 -7.230 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.897 -3.929 -9.090 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.451 -2.284 -8.847 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.384 -1.589 -7.899 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.880 -3.232 -7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.098 -1.954 -10.310 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.615 -2.315 -9.451 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.551 -4.242 -10.762 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.830 -4.062 -11.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.159 -6.013 -9.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.485 -4.874 -8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.145 -5.226 -8.660 1.00 0.00 H new ATOM 447 N TYR A 64 -8.429 -4.703 -5.152 1.00 0.00 N ATOM 448 CA TYR A 64 -7.819 -5.796 -4.438 1.00 0.00 C ATOM 449 C TYR A 64 -8.756 -6.161 -3.289 1.00 0.00 C ATOM 450 O TYR A 64 -9.369 -5.312 -2.645 1.00 0.00 O ATOM 451 CB TYR A 64 -6.453 -5.386 -3.891 1.00 0.00 C ATOM 452 CG TYR A 64 -5.360 -5.083 -4.897 1.00 0.00 C ATOM 453 CD1 TYR A 64 -5.179 -5.874 -6.050 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.405 -4.104 -4.574 1.00 0.00 C ATOM 455 CE1 TYR A 64 -4.073 -5.655 -6.889 1.00 0.00 C ATOM 456 CE2 TYR A 64 -3.296 -3.897 -5.406 1.00 0.00 C ATOM 457 CZ TYR A 64 -3.129 -4.667 -6.566 1.00 0.00 C ATOM 458 OH TYR A 64 -2.018 -4.492 -7.337 1.00 0.00 O ATOM 0 H TYR A 64 -8.588 -3.888 -4.560 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.665 -6.647 -5.102 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.591 -4.502 -3.268 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.098 -6.184 -3.239 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.892 -6.650 -6.289 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.526 -3.509 -3.681 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.949 -6.247 -7.783 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.567 -3.141 -5.153 1.00 0.00 H new ATOM 0 HH TYR A 64 -1.475 -3.765 -6.968 1.00 0.00 H new ATOM 459 N SER A 65 -8.852 -7.460 -3.066 1.00 0.00 N ATOM 460 CA SER A 65 -9.651 -8.130 -2.055 1.00 0.00 C ATOM 461 C SER A 65 -8.804 -8.359 -0.803 1.00 0.00 C ATOM 462 O SER A 65 -7.585 -8.229 -0.859 1.00 0.00 O ATOM 463 CB SER A 65 -10.113 -9.462 -2.650 1.00 0.00 C ATOM 464 OG SER A 65 -8.982 -10.193 -3.094 1.00 0.00 O ATOM 0 H SER A 65 -8.330 -8.128 -3.634 1.00 0.00 H new ATOM 0 HA SER A 65 -10.514 -7.529 -1.769 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.662 -10.036 -1.904 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.796 -9.285 -3.481 1.00 0.00 H new ATOM 0 HG SER A 65 -9.274 -11.048 -3.474 1.00 0.00 H new ATOM 465 N ASP A 66 -9.425 -8.745 0.317 1.00 0.00 N ATOM 466 CA ASP A 66 -8.717 -8.987 1.573 1.00 0.00 C ATOM 467 C ASP A 66 -7.477 -9.861 1.387 1.00 0.00 C ATOM 468 O ASP A 66 -6.450 -9.580 1.990 1.00 0.00 O ATOM 469 CB ASP A 66 -9.662 -9.625 2.593 1.00 0.00 C ATOM 470 CG ASP A 66 -10.695 -8.611 3.053 1.00 0.00 C ATOM 471 OD1 ASP A 66 -10.377 -7.880 4.018 1.00 0.00 O ATOM 472 OD2 ASP A 66 -11.759 -8.557 2.400 1.00 0.00 O ATOM 0 H ASP A 66 -10.432 -8.898 0.375 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.376 -8.020 1.942 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.160 -10.487 2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.094 -9.990 3.448 1.00 0.00 H new ATOM 473 N GLU A 67 -7.558 -10.913 0.567 1.00 0.00 N ATOM 474 CA GLU A 67 -6.424 -11.794 0.315 1.00 0.00 C ATOM 475 C GLU A 67 -5.283 -10.997 -0.332 1.00 0.00 C ATOM 476 O GLU A 67 -4.156 -10.998 0.159 1.00 0.00 O ATOM 477 CB GLU A 67 -6.892 -12.967 -0.563 1.00 0.00 C ATOM 478 CG GLU A 67 -5.785 -13.995 -0.856 1.00 0.00 C ATOM 479 CD GLU A 67 -4.887 -13.604 -2.029 1.00 0.00 C ATOM 480 OE1 GLU A 67 -5.440 -13.369 -3.125 1.00 0.00 O ATOM 481 OE2 GLU A 67 -3.651 -13.572 -1.840 1.00 0.00 O ATOM 0 H GLU A 67 -8.407 -11.173 0.065 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.038 -12.205 1.248 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.723 -13.471 -0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.272 -12.575 -1.507 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.171 -14.120 0.036 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.243 -14.961 -1.066 1.00 0.00 H new ATOM 482 N GLU A 68 -5.581 -10.320 -1.442 1.00 0.00 N ATOM 483 CA GLU A 68 -4.625 -9.511 -2.183 1.00 0.00 C ATOM 484 C GLU A 68 -3.993 -8.468 -1.250 1.00 0.00 C ATOM 485 O GLU A 68 -2.772 -8.345 -1.171 1.00 0.00 O ATOM 486 CB GLU A 68 -5.375 -8.831 -3.336 1.00 0.00 C ATOM 487 CG GLU A 68 -5.941 -9.800 -4.384 1.00 0.00 C ATOM 488 CD GLU A 68 -4.905 -10.167 -5.436 1.00 0.00 C ATOM 489 OE1 GLU A 68 -4.836 -9.429 -6.442 1.00 0.00 O ATOM 490 OE2 GLU A 68 -4.196 -11.174 -5.215 1.00 0.00 O ATOM 0 H GLU A 68 -6.513 -10.322 -1.855 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.822 -10.131 -2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.194 -8.243 -2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.700 -8.133 -3.831 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.292 -10.705 -3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.805 -9.346 -4.869 1.00 0.00 H new ATOM 491 N LEU A 69 -4.838 -7.726 -0.535 1.00 0.00 N ATOM 492 CA LEU A 69 -4.433 -6.692 0.404 1.00 0.00 C ATOM 493 C LEU A 69 -3.543 -7.276 1.500 1.00 0.00 C ATOM 494 O LEU A 69 -2.489 -6.721 1.804 1.00 0.00 O ATOM 495 CB LEU A 69 -5.683 -6.045 1.015 1.00 0.00 C ATOM 496 CG LEU A 69 -6.533 -5.256 0.007 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.715 -4.613 0.739 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.717 -4.180 -0.706 1.00 0.00 C ATOM 0 H LEU A 69 -5.850 -7.834 -0.598 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.857 -5.934 -0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.300 -6.823 1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.377 -5.376 1.819 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.892 -5.951 -0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.321 -4.052 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.324 -5.391 1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.342 -3.938 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.355 -3.646 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.319 -3.479 0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.893 -4.646 -1.246 1.00 0.00 H new ATOM 499 N LYS A 70 -3.955 -8.389 2.105 1.00 0.00 N ATOM 500 CA LYS A 70 -3.187 -9.033 3.155 1.00 0.00 C ATOM 501 C LYS A 70 -1.840 -9.487 2.598 1.00 0.00 C ATOM 502 O LYS A 70 -0.829 -9.345 3.279 1.00 0.00 O ATOM 503 CB LYS A 70 -3.984 -10.206 3.745 1.00 0.00 C ATOM 504 CG LYS A 70 -3.238 -10.969 4.851 1.00 0.00 C ATOM 505 CD LYS A 70 -2.855 -10.064 6.033 1.00 0.00 C ATOM 506 CE LYS A 70 -2.273 -10.871 7.199 1.00 0.00 C ATOM 507 NZ LYS A 70 -1.003 -11.526 6.835 1.00 0.00 N ATOM 0 H LYS A 70 -4.829 -8.864 1.878 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.997 -8.325 3.962 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.924 -9.828 4.148 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.237 -10.901 2.944 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.864 -11.786 5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.337 -11.418 4.434 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.126 -9.324 5.703 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.734 -9.517 6.372 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.110 -10.211 8.051 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.994 -11.626 7.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.608 -12.005 7.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.175 -12.224 6.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.329 -10.811 6.495 1.00 0.00 H new ATOM 508 N ALA A 71 -1.806 -10.021 1.372 1.00 0.00 N ATOM 509 CA ALA A 71 -0.565 -10.472 0.768 1.00 0.00 C ATOM 510 C ALA A 71 0.348 -9.266 0.579 1.00 0.00 C ATOM 511 O ALA A 71 1.521 -9.302 0.952 1.00 0.00 O ATOM 512 CB ALA A 71 -0.852 -11.175 -0.561 1.00 0.00 C ATOM 0 H ALA A 71 -2.630 -10.148 0.784 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.067 -11.194 1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.085 -11.509 -1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.498 -12.036 -0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.348 -10.481 -1.240 1.00 0.00 H new ATOM 513 N LEU A 72 -0.192 -8.180 0.018 1.00 0.00 N ATOM 514 CA LEU A 72 0.585 -6.977 -0.186 1.00 0.00 C ATOM 515 C LEU A 72 1.138 -6.463 1.131 1.00 0.00 C ATOM 516 O LEU A 72 2.327 -6.189 1.214 1.00 0.00 O ATOM 517 CB LEU A 72 -0.339 -5.914 -0.757 1.00 0.00 C ATOM 518 CG LEU A 72 -0.393 -6.038 -2.267 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.405 -5.030 -2.737 1.00 0.00 C ATOM 520 CD2 LEU A 72 0.940 -5.618 -2.860 1.00 0.00 C ATOM 0 H LEU A 72 -1.160 -8.119 -0.298 1.00 0.00 H new ATOM 0 HA LEU A 72 1.414 -7.196 -0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.339 -6.025 -0.338 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.016 -4.922 -0.477 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.632 -7.061 -2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.486 -5.075 -3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.374 -5.253 -2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.089 -4.031 -2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.900 -5.708 -3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.149 -4.583 -2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.730 -6.261 -2.472 1.00 0.00 H new ATOM 521 N ALA A 73 0.282 -6.287 2.141 1.00 0.00 N ATOM 522 CA ALA A 73 0.725 -5.769 3.423 1.00 0.00 C ATOM 523 C ALA A 73 1.747 -6.708 4.044 1.00 0.00 C ATOM 524 O ALA A 73 2.717 -6.237 4.620 1.00 0.00 O ATOM 525 CB ALA A 73 -0.454 -5.630 4.392 1.00 0.00 C ATOM 0 H ALA A 73 -0.715 -6.496 2.089 1.00 0.00 H new ATOM 0 HA ALA A 73 1.171 -4.790 3.248 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.097 -5.240 5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.191 -4.945 3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.914 -6.606 4.548 1.00 0.00 H new ATOM 526 N ASP A 74 1.521 -8.023 3.979 1.00 0.00 N ATOM 527 CA ASP A 74 2.465 -8.998 4.501 1.00 0.00 C ATOM 528 C ASP A 74 3.829 -8.714 3.875 1.00 0.00 C ATOM 529 O ASP A 74 4.822 -8.596 4.592 1.00 0.00 O ATOM 530 CB ASP A 74 1.995 -10.422 4.186 1.00 0.00 C ATOM 531 CG ASP A 74 3.044 -11.442 4.604 1.00 0.00 C ATOM 532 OD1 ASP A 74 3.055 -11.784 5.806 1.00 0.00 O ATOM 533 OD2 ASP A 74 3.831 -11.844 3.720 1.00 0.00 O ATOM 0 H ASP A 74 0.684 -8.433 3.565 1.00 0.00 H new ATOM 0 HA ASP A 74 2.535 -8.917 5.586 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.058 -10.624 4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.795 -10.516 3.119 1.00 0.00 H new ATOM 534 N TYR A 75 3.866 -8.555 2.546 1.00 0.00 N ATOM 535 CA TYR A 75 5.108 -8.245 1.861 1.00 0.00 C ATOM 536 C TYR A 75 5.642 -6.892 2.356 1.00 0.00 C ATOM 537 O TYR A 75 6.751 -6.834 2.885 1.00 0.00 O ATOM 538 CB TYR A 75 4.929 -8.292 0.340 1.00 0.00 C ATOM 539 CG TYR A 75 6.245 -8.002 -0.353 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.269 -8.966 -0.280 1.00 0.00 C ATOM 541 CD2 TYR A 75 6.561 -6.684 -0.730 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.593 -8.619 -0.593 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.889 -6.339 -1.041 1.00 0.00 C ATOM 544 CZ TYR A 75 8.906 -7.303 -0.964 1.00 0.00 C ATOM 545 OH TYR A 75 10.196 -6.971 -1.248 1.00 0.00 O ATOM 0 H TYR A 75 3.053 -8.637 1.936 1.00 0.00 H new ATOM 0 HA TYR A 75 5.853 -9.004 2.098 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.561 -9.273 0.040 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.180 -7.563 0.032 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.035 -9.977 0.018 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.783 -5.936 -0.781 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.371 -9.366 -0.548 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.127 -5.329 -1.340 1.00 0.00 H new ATOM 0 HH TYR A 75 10.244 -6.022 -1.489 1.00 0.00 H new ATOM 546 N MET A 76 4.878 -5.801 2.207 1.00 0.00 N ATOM 547 CA MET A 76 5.300 -4.485 2.689 1.00 0.00 C ATOM 548 C MET A 76 5.784 -4.489 4.153 1.00 0.00 C ATOM 549 O MET A 76 6.633 -3.693 4.537 1.00 0.00 O ATOM 550 CB MET A 76 4.128 -3.516 2.563 1.00 0.00 C ATOM 551 CG MET A 76 3.924 -3.009 1.139 1.00 0.00 C ATOM 552 SD MET A 76 2.618 -1.765 0.969 1.00 0.00 S ATOM 553 CE MET A 76 1.156 -2.798 1.113 1.00 0.00 C ATOM 0 H MET A 76 3.964 -5.807 1.755 1.00 0.00 H new ATOM 0 HA MET A 76 6.148 -4.181 2.075 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.217 -4.010 2.901 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.294 -2.666 3.225 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.862 -2.586 0.779 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.689 -3.856 0.495 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.517 -2.647 0.243 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.454 -3.845 1.167 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.609 -2.530 2.017 1.00 0.00 H new ATOM 554 N SER A 77 5.245 -5.362 4.996 1.00 0.00 N ATOM 555 CA SER A 77 5.641 -5.421 6.397 1.00 0.00 C ATOM 556 C SER A 77 7.069 -5.936 6.577 1.00 0.00 C ATOM 557 O SER A 77 7.645 -5.708 7.639 1.00 0.00 O ATOM 558 CB SER A 77 4.664 -6.288 7.184 1.00 0.00 C ATOM 559 OG SER A 77 4.829 -6.053 8.574 1.00 0.00 O ATOM 0 H SER A 77 4.530 -6.040 4.732 1.00 0.00 H new ATOM 0 HA SER A 77 5.615 -4.402 6.783 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.640 -6.062 6.886 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.836 -7.341 6.960 1.00 0.00 H new ATOM 0 HG SER A 77 5.762 -5.817 8.757 1.00 0.00 H new ATOM 560 N LYS A 78 7.611 -6.676 5.602 1.00 0.00 N ATOM 561 CA LYS A 78 8.972 -7.195 5.627 1.00 0.00 C ATOM 562 C LYS A 78 9.805 -6.501 4.540 1.00 0.00 C ATOM 563 O LYS A 78 10.734 -7.087 3.988 1.00 0.00 O ATOM 564 CB LYS A 78 8.909 -8.721 5.480 1.00 0.00 C ATOM 565 CG LYS A 78 8.327 -9.224 4.150 1.00 0.00 C ATOM 566 CD LYS A 78 8.393 -10.753 4.024 1.00 0.00 C ATOM 567 CE LYS A 78 7.625 -11.493 5.128 1.00 0.00 C ATOM 568 NZ LYS A 78 6.203 -11.104 5.177 1.00 0.00 N ATOM 0 H LYS A 78 7.099 -6.933 4.758 1.00 0.00 H new ATOM 0 HA LYS A 78 9.470 -6.981 6.572 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.916 -9.123 5.594 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.310 -9.125 6.297 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.290 -8.899 4.064 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.873 -8.770 3.323 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.992 -11.047 3.054 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.437 -11.067 4.046 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.700 -12.568 4.962 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.090 -11.286 6.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.733 -11.604 5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.129 -10.078 5.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.743 -11.356 4.279 1.00 0.00 H new ATOM 569 N LEU A 79 9.430 -5.259 4.231 1.00 0.00 N ATOM 570 CA LEU A 79 10.043 -4.401 3.236 1.00 0.00 C ATOM 571 C LEU A 79 11.346 -3.796 3.750 1.00 0.00 C ATOM 572 O LEU A 79 11.391 -3.455 4.953 1.00 0.00 O ATOM 573 CB LEU A 79 9.001 -3.324 2.947 1.00 0.00 C ATOM 574 CG LEU A 79 9.185 -2.402 1.749 1.00 0.00 C ATOM 575 CD1 LEU A 79 9.321 -3.228 0.492 1.00 0.00 C ATOM 576 CD2 LEU A 79 7.898 -1.593 1.580 1.00 0.00 C ATOM 577 OXT LEU A 79 12.264 -3.626 2.917 1.00 0.00 O ATOM 0 H LEU A 79 8.645 -4.806 4.699 1.00 0.00 H new ATOM 0 HA LEU A 79 10.315 -4.952 2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.039 -3.824 2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.927 -2.695 3.834 1.00 0.00 H new ATOM 0 HG LEU A 79 10.063 -1.775 1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.453 -2.567 -0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.186 -3.885 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.422 -3.829 0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.000 -0.922 0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.062 -2.271 1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.714 -1.009 2.482 1.00 0.00 H new