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 63 LYS NZ :NH3+ -107:sc= 1.79 (180deg=0.27) USER MOD Set 1.2: A 64 TYR OH : rot 180:sc= 0.333 USER MOD Set 2.1: A 40 LYS NZ :NH3+ -147:sc= 0.713 (180deg=0) USER MOD Set 2.2: A 44 TYR OH : rot 75:sc= 2.03 USER MOD Set 2.3: A 49 TYR OH : rot 15:sc= 0.722 USER MOD Set 3.1: A 38 TYR OH : rot 34:sc= 1.85 USER MOD Set 3.2: A 42 LYS NZ :NH3+ -170:sc= 0.62 (180deg=0) USER MOD Set 4.1: A 41 MET CE :methyl 179:sc= -0.601 (180deg=-0.602) USER MOD Set 4.2: A 76 MET CE :methyl -139:sc= -0.709 (180deg=-2.82!) USER MOD Set 5.1: A 13 CYS SG : rot 180:sc=-0.00461 USER MOD Set 5.2: A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 7 TYR OH : rot -77:sc= 0.153 USER MOD Set 6.2: A 14 HIS :FLIP no HD1:sc= -0.307 F(o=-1.6,f=-0.15) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 156:sc= -0.655 USER MOD Single : A 19 SER OG : rot -53:sc= 1.27 USER MOD Single : A 20 LYS NZ :NH3+ -151:sc= 0.92 (180deg=0.228) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.036) USER MOD Single : A 30 LYS NZ :NH3+ 139:sc= 1.2 (180deg=0.636) USER MOD Single : A 32 GLN : amide:sc= 0.34 K(o=0.34,f=-0.7) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -50:sc= 0.702 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 172:sc= -1.33 (180deg=-1.5) USER MOD Single : A 58 THR OG1 : rot 84:sc= 1.08 USER MOD Single : A 59 ASN : amide:sc= 1.2 K(o=1.2,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -179:sc= 0.95 (180deg=0.949) USER MOD Single : A 65 SER OG : rot 180:sc= -0.203 USER MOD Single : A 70 LYS NZ :NH3+ -129:sc= -0.304 (180deg=-0.515) USER MOD Single : A 75 TYR OH : rot -44:sc= 1.28 USER MOD Single : A 77 SER OG : rot 63:sc= 1.27 USER MOD Single : A 78 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.062) USER MOD ----------------------------------------------------------------- ATOM 6 N ASP A 2 0.211 -13.343 -3.229 1.00 0.00 N ATOM 7 CA ASP A 2 1.371 -12.922 -4.004 1.00 0.00 C ATOM 8 C ASP A 2 1.700 -11.441 -3.817 1.00 0.00 C ATOM 9 O ASP A 2 1.870 -10.687 -4.775 1.00 0.00 O ATOM 10 CB ASP A 2 1.100 -13.275 -5.484 1.00 0.00 C ATOM 11 CG ASP A 2 0.407 -14.630 -5.671 1.00 0.00 C ATOM 12 OD1 ASP A 2 -0.833 -14.684 -5.464 1.00 0.00 O ATOM 13 OD2 ASP A 2 1.133 -15.597 -5.982 1.00 0.00 O ATOM 0 HA ASP A 2 2.256 -13.450 -3.649 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.482 -12.495 -5.928 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.045 -13.281 -6.027 1.00 0.00 H new ATOM 14 N GLY A 3 1.856 -11.047 -2.555 1.00 0.00 N ATOM 15 CA GLY A 3 2.153 -9.676 -2.170 1.00 0.00 C ATOM 16 C GLY A 3 3.340 -9.109 -2.944 1.00 0.00 C ATOM 17 O GLY A 3 3.262 -8.051 -3.559 1.00 0.00 O ATOM 0 H GLY A 3 1.778 -11.684 -1.762 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.276 -9.053 -2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.365 -9.637 -1.102 1.00 0.00 H new ATOM 18 N ALA A 4 4.446 -9.847 -2.960 1.00 0.00 N ATOM 19 CA ALA A 4 5.648 -9.407 -3.654 1.00 0.00 C ATOM 20 C ALA A 4 5.440 -9.237 -5.159 1.00 0.00 C ATOM 21 O ALA A 4 6.235 -8.549 -5.793 1.00 0.00 O ATOM 22 CB ALA A 4 6.784 -10.393 -3.372 1.00 0.00 C ATOM 0 H ALA A 4 4.533 -10.753 -2.499 1.00 0.00 H new ATOM 0 HA ALA A 4 5.907 -8.420 -3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.686 -10.067 -3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.975 -10.431 -2.300 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.501 -11.385 -3.725 1.00 0.00 H new ATOM 23 N ALA A 5 4.407 -9.854 -5.742 1.00 0.00 N ATOM 24 CA ALA A 5 4.127 -9.717 -7.159 1.00 0.00 C ATOM 25 C ALA A 5 3.220 -8.508 -7.335 1.00 0.00 C ATOM 26 O ALA A 5 3.511 -7.628 -8.142 1.00 0.00 O ATOM 27 CB ALA A 5 3.474 -10.992 -7.701 1.00 0.00 C ATOM 0 H ALA A 5 3.752 -10.455 -5.243 1.00 0.00 H new ATOM 0 HA ALA A 5 5.048 -9.570 -7.722 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.271 -10.872 -8.765 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.147 -11.837 -7.553 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.539 -11.176 -7.171 1.00 0.00 H new ATOM 28 N LEU A 6 2.142 -8.431 -6.549 1.00 0.00 N ATOM 29 CA LEU A 6 1.211 -7.337 -6.641 1.00 0.00 C ATOM 30 C LEU A 6 1.924 -6.010 -6.395 1.00 0.00 C ATOM 31 O LEU A 6 1.724 -5.068 -7.163 1.00 0.00 O ATOM 32 CB LEU A 6 0.092 -7.572 -5.629 1.00 0.00 C ATOM 33 CG LEU A 6 -0.787 -8.796 -5.918 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.817 -8.892 -4.791 1.00 0.00 C ATOM 35 CD2 LEU A 6 -1.481 -8.709 -7.281 1.00 0.00 C ATOM 0 H LEU A 6 1.904 -9.126 -5.841 1.00 0.00 H new ATOM 0 HA LEU A 6 0.782 -7.287 -7.642 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.534 -7.685 -4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.542 -6.686 -5.596 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.163 -9.689 -5.958 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.463 -9.753 -4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.303 -9.007 -3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.420 -7.984 -4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.090 -9.599 -7.436 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.117 -7.824 -7.310 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.730 -8.641 -8.068 1.00 0.00 H new ATOM 36 N TYR A 7 2.792 -5.920 -5.374 1.00 0.00 N ATOM 37 CA TYR A 7 3.430 -4.642 -5.120 1.00 0.00 C ATOM 38 C TYR A 7 4.343 -4.153 -6.252 1.00 0.00 C ATOM 39 O TYR A 7 4.697 -2.971 -6.269 1.00 0.00 O ATOM 40 CB TYR A 7 4.140 -4.678 -3.768 1.00 0.00 C ATOM 41 CG TYR A 7 4.054 -3.346 -3.046 1.00 0.00 C ATOM 42 CD1 TYR A 7 2.781 -2.822 -2.760 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.199 -2.614 -2.682 1.00 0.00 C ATOM 44 CE1 TYR A 7 2.645 -1.559 -2.184 1.00 0.00 C ATOM 45 CE2 TYR A 7 5.054 -1.369 -2.041 1.00 0.00 C ATOM 46 CZ TYR A 7 3.781 -0.794 -1.897 1.00 0.00 C ATOM 47 OH TYR A 7 3.650 0.462 -1.389 1.00 0.00 O ATOM 0 H TYR A 7 3.051 -6.681 -4.746 1.00 0.00 H new ATOM 0 HA TYR A 7 2.638 -3.894 -5.085 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.698 -5.457 -3.147 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.187 -4.944 -3.915 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.900 -3.403 -2.989 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.183 -3.005 -2.893 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.662 -1.171 -1.959 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.924 -0.855 -1.659 1.00 0.00 H new ATOM 0 HH TYR A 7 3.395 1.080 -2.106 1.00 0.00 H new ATOM 48 N LYS A 8 4.714 -5.000 -7.221 1.00 0.00 N ATOM 49 CA LYS A 8 5.546 -4.522 -8.323 1.00 0.00 C ATOM 50 C LYS A 8 4.834 -3.386 -9.070 1.00 0.00 C ATOM 51 O LYS A 8 5.487 -2.466 -9.554 1.00 0.00 O ATOM 52 CB LYS A 8 5.902 -5.663 -9.286 1.00 0.00 C ATOM 53 CG LYS A 8 6.670 -6.816 -8.622 1.00 0.00 C ATOM 54 CD LYS A 8 7.912 -6.405 -7.818 1.00 0.00 C ATOM 55 CE LYS A 8 8.943 -5.654 -8.668 1.00 0.00 C ATOM 56 NZ LYS A 8 10.145 -5.329 -7.880 1.00 0.00 N ATOM 0 H LYS A 8 4.460 -5.987 -7.263 1.00 0.00 H new ATOM 0 HA LYS A 8 6.477 -4.138 -7.905 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.985 -6.055 -9.725 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.501 -5.263 -10.104 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.989 -7.349 -7.959 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.976 -7.519 -9.396 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.607 -5.775 -6.983 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.376 -7.295 -7.393 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.222 -6.262 -9.528 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.500 -4.737 -9.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.826 -4.821 -8.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.879 -4.729 -7.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.579 -6.207 -7.531 1.00 0.00 H new ATOM 57 N SER A 9 3.498 -3.408 -9.132 1.00 0.00 N ATOM 58 CA SER A 9 2.726 -2.366 -9.801 1.00 0.00 C ATOM 59 C SER A 9 2.648 -1.066 -8.981 1.00 0.00 C ATOM 60 O SER A 9 2.068 -0.088 -9.444 1.00 0.00 O ATOM 61 CB SER A 9 1.314 -2.905 -10.055 1.00 0.00 C ATOM 62 OG SER A 9 1.386 -4.186 -10.652 1.00 0.00 O ATOM 0 H SER A 9 2.928 -4.147 -8.721 1.00 0.00 H new ATOM 0 HA SER A 9 3.228 -2.116 -10.736 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.763 -2.963 -9.116 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.766 -2.222 -10.704 1.00 0.00 H new ATOM 0 HG SER A 9 0.480 -4.525 -10.810 1.00 0.00 H new ATOM 63 N CYS A 10 3.213 -1.054 -7.771 1.00 0.00 N ATOM 64 CA CYS A 10 3.199 0.042 -6.814 1.00 0.00 C ATOM 65 C CYS A 10 4.592 0.639 -6.640 1.00 0.00 C ATOM 66 O CYS A 10 4.748 1.850 -6.456 1.00 0.00 O ATOM 67 CB CYS A 10 2.725 -0.539 -5.480 1.00 0.00 C ATOM 68 SG CYS A 10 1.301 -1.663 -5.598 1.00 0.00 S ATOM 0 H CYS A 10 3.723 -1.863 -7.417 1.00 0.00 H new ATOM 0 HA CYS A 10 2.542 0.837 -7.166 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.555 -1.074 -5.018 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.466 0.284 -4.814 1.00 0.00 H new ATOM 0 HG CYS A 10 1.301 -2.472 -4.580 1.00 0.00 H new ATOM 69 N ILE A 11 5.600 -0.238 -6.706 1.00 0.00 N ATOM 70 CA ILE A 11 7.018 0.061 -6.559 1.00 0.00 C ATOM 71 C ILE A 11 7.425 1.353 -7.283 1.00 0.00 C ATOM 72 O ILE A 11 8.290 2.079 -6.802 1.00 0.00 O ATOM 73 CB ILE A 11 7.825 -1.178 -7.021 1.00 0.00 C ATOM 74 CG1 ILE A 11 9.061 -1.381 -6.137 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.278 -1.089 -8.486 1.00 0.00 C ATOM 76 CD1 ILE A 11 8.695 -2.001 -4.782 1.00 0.00 C ATOM 0 H ILE A 11 5.432 -1.230 -6.873 1.00 0.00 H new ATOM 0 HA ILE A 11 7.244 0.258 -5.511 1.00 0.00 H new ATOM 0 HB ILE A 11 7.147 -2.026 -6.929 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.774 -2.025 -6.651 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.555 -0.423 -5.977 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.838 -1.986 -8.749 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.404 -1.004 -9.132 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.913 -0.213 -8.618 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.598 -2.129 -4.185 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.002 -1.344 -4.256 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.225 -2.971 -4.941 1.00 0.00 H new ATOM 77 N GLY A 12 6.804 1.652 -8.429 1.00 0.00 N ATOM 78 CA GLY A 12 7.079 2.849 -9.208 1.00 0.00 C ATOM 79 C GLY A 12 7.046 4.128 -8.364 1.00 0.00 C ATOM 80 O GLY A 12 7.941 4.961 -8.484 1.00 0.00 O ATOM 0 H GLY A 12 6.087 1.056 -8.842 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.058 2.754 -9.678 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.347 2.930 -10.011 1.00 0.00 H new ATOM 81 N CYS A 13 6.026 4.296 -7.513 1.00 0.00 N ATOM 82 CA CYS A 13 5.916 5.494 -6.680 1.00 0.00 C ATOM 83 C CYS A 13 6.714 5.328 -5.389 1.00 0.00 C ATOM 84 O CYS A 13 7.400 6.252 -4.962 1.00 0.00 O ATOM 85 CB CYS A 13 4.457 5.800 -6.311 1.00 0.00 C ATOM 86 SG CYS A 13 3.469 6.720 -7.524 1.00 0.00 S ATOM 0 H CYS A 13 5.272 3.621 -7.385 1.00 0.00 H new ATOM 0 HA CYS A 13 6.316 6.321 -7.267 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.953 4.854 -6.113 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.456 6.363 -5.378 1.00 0.00 H new ATOM 0 HG CYS A 13 2.266 6.893 -7.062 1.00 0.00 H new ATOM 87 N HIS A 14 6.602 4.159 -4.756 1.00 0.00 N ATOM 88 CA HIS A 14 7.192 3.808 -3.497 1.00 0.00 C ATOM 89 C HIS A 14 8.696 3.540 -3.520 1.00 0.00 C ATOM 90 O HIS A 14 9.306 3.445 -2.455 1.00 0.00 O ATOM 91 CB HIS A 14 6.382 2.580 -3.103 1.00 0.00 C ATOM 92 CG HIS A 14 5.033 2.973 -2.575 1.00 0.00 C ATOM 93 ND1 HIS A 14 3.767 2.897 -3.103 1.00 0.00 N flip ATOM 94 CD2 HIS A 14 4.892 3.644 -1.373 1.00 0.00 C flip ATOM 95 CE1 HIS A 14 2.851 3.490 -2.242 1.00 0.00 C flip ATOM 96 NE2 HIS A 14 3.609 4.019 -1.281 1.00 0.00 N flip ATOM 0 H HIS A 14 6.057 3.392 -5.150 1.00 0.00 H new ATOM 0 HA HIS A 14 7.146 4.633 -2.787 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.262 1.926 -3.967 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.922 2.012 -2.346 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.669 3.830 -0.646 1.00 0.00 H new ATOM 0 HE1 HIS A 14 1.775 3.516 -2.331 1.00 0.00 H new ATOM 0 HE2 HIS A 14 3.251 4.641 -0.556 1.00 0.00 H new ATOM 97 N GLY A 15 9.306 3.429 -4.699 1.00 0.00 N ATOM 98 CA GLY A 15 10.726 3.155 -4.811 1.00 0.00 C ATOM 99 C GLY A 15 10.981 1.666 -4.589 1.00 0.00 C ATOM 100 O GLY A 15 10.267 1.022 -3.817 1.00 0.00 O ATOM 0 H GLY A 15 8.828 3.527 -5.595 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.087 3.453 -5.795 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.279 3.742 -4.077 1.00 0.00 H new ATOM 101 N ALA A 16 11.993 1.094 -5.253 1.00 0.00 N ATOM 102 CA ALA A 16 12.381 -0.307 -5.070 1.00 0.00 C ATOM 103 C ALA A 16 13.210 -0.367 -3.794 1.00 0.00 C ATOM 104 O ALA A 16 14.399 -0.674 -3.788 1.00 0.00 O ATOM 105 CB ALA A 16 13.161 -0.793 -6.277 1.00 0.00 C ATOM 0 H ALA A 16 12.566 1.592 -5.934 1.00 0.00 H new ATOM 0 HA ALA A 16 11.513 -0.960 -4.980 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.445 -1.835 -6.131 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.541 -0.707 -7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.058 -0.186 -6.399 1.00 0.00 H new ATOM 106 N ASP A 17 12.500 -0.038 -2.725 1.00 0.00 N ATOM 107 CA ASP A 17 12.914 0.134 -1.362 1.00 0.00 C ATOM 108 C ASP A 17 11.756 0.539 -0.453 1.00 0.00 C ATOM 109 O ASP A 17 11.891 0.404 0.756 1.00 0.00 O ATOM 110 CB ASP A 17 13.986 1.228 -1.329 1.00 0.00 C ATOM 111 CG ASP A 17 13.484 2.525 -1.969 1.00 0.00 C ATOM 112 OD1 ASP A 17 12.743 3.253 -1.274 1.00 0.00 O ATOM 113 OD2 ASP A 17 13.809 2.750 -3.155 1.00 0.00 O ATOM 0 H ASP A 17 11.499 0.133 -2.817 1.00 0.00 H new ATOM 0 HA ASP A 17 13.298 -0.817 -0.993 1.00 0.00 H new ATOM 0 HB2 ASP A 17 14.280 1.420 -0.297 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.876 0.883 -1.855 1.00 0.00 H new ATOM 114 N GLY A 18 10.656 1.102 -0.970 1.00 0.00 N ATOM 115 CA GLY A 18 9.529 1.485 -0.128 1.00 0.00 C ATOM 116 C GLY A 18 9.780 2.659 0.811 1.00 0.00 C ATOM 117 O GLY A 18 8.887 3.024 1.581 1.00 0.00 O ATOM 0 H GLY A 18 10.528 1.299 -1.963 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.684 1.731 -0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.234 0.622 0.469 1.00 0.00 H new ATOM 118 N SER A 19 10.994 3.207 0.794 1.00 0.00 N ATOM 119 CA SER A 19 11.387 4.335 1.620 1.00 0.00 C ATOM 120 C SER A 19 11.092 5.635 0.876 1.00 0.00 C ATOM 121 O SER A 19 10.870 6.658 1.523 1.00 0.00 O ATOM 122 CB SER A 19 12.862 4.220 2.027 1.00 0.00 C ATOM 123 OG SER A 19 13.747 4.389 0.939 1.00 0.00 O ATOM 0 H SER A 19 11.744 2.868 0.191 1.00 0.00 H new ATOM 0 HA SER A 19 10.807 4.335 2.543 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.083 4.968 2.788 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.034 3.244 2.480 1.00 0.00 H new ATOM 0 HG SER A 19 13.496 3.778 0.215 1.00 0.00 H new ATOM 124 N LYS A 20 11.095 5.614 -0.467 1.00 0.00 N ATOM 125 CA LYS A 20 10.785 6.803 -1.240 1.00 0.00 C ATOM 126 C LYS A 20 9.378 7.258 -0.846 1.00 0.00 C ATOM 127 O LYS A 20 8.400 6.541 -1.062 1.00 0.00 O ATOM 128 CB LYS A 20 10.898 6.492 -2.738 1.00 0.00 C ATOM 129 CG LYS A 20 10.522 7.676 -3.637 1.00 0.00 C ATOM 130 CD LYS A 20 10.636 7.249 -5.106 1.00 0.00 C ATOM 131 CE LYS A 20 10.157 8.341 -6.070 1.00 0.00 C ATOM 132 NZ LYS A 20 8.736 8.671 -5.861 1.00 0.00 N ATOM 0 H LYS A 20 11.308 4.788 -1.026 1.00 0.00 H new ATOM 0 HA LYS A 20 11.489 7.609 -1.032 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.920 6.186 -2.962 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.253 5.646 -2.975 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.506 8.005 -3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.181 8.522 -3.439 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.673 7.000 -5.330 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.049 6.344 -5.265 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.762 9.237 -5.933 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.306 8.009 -7.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.320 8.997 -6.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.228 7.826 -5.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.656 9.424 -5.148 1.00 0.00 H new ATOM 133 N ALA A 21 9.286 8.448 -0.248 1.00 0.00 N ATOM 134 CA ALA A 21 8.033 9.029 0.195 1.00 0.00 C ATOM 135 C ALA A 21 7.196 9.380 -1.034 1.00 0.00 C ATOM 136 O ALA A 21 7.213 10.512 -1.510 1.00 0.00 O ATOM 137 CB ALA A 21 8.335 10.244 1.078 1.00 0.00 C ATOM 0 H ALA A 21 10.097 9.038 -0.059 1.00 0.00 H new ATOM 0 HA ALA A 21 7.455 8.328 0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.399 10.689 1.417 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.921 9.930 1.942 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.900 10.979 0.505 1.00 0.00 H new ATOM 138 N ALA A 22 6.487 8.374 -1.551 1.00 0.00 N ATOM 139 CA ALA A 22 5.662 8.428 -2.742 1.00 0.00 C ATOM 140 C ALA A 22 4.926 9.748 -2.945 1.00 0.00 C ATOM 141 O ALA A 22 4.225 10.200 -2.044 1.00 0.00 O ATOM 142 CB ALA A 22 4.670 7.264 -2.738 1.00 0.00 C ATOM 0 H ALA A 22 6.478 7.450 -1.119 1.00 0.00 H new ATOM 0 HA ALA A 22 6.348 8.346 -3.585 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.052 7.309 -3.635 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.216 6.321 -2.720 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.034 7.331 -1.856 1.00 0.00 H new ATOM 143 N MET A 23 5.089 10.296 -4.160 1.00 0.00 N ATOM 144 CA MET A 23 4.536 11.524 -4.721 1.00 0.00 C ATOM 145 C MET A 23 4.155 12.550 -3.659 1.00 0.00 C ATOM 146 O MET A 23 4.937 13.457 -3.384 1.00 0.00 O ATOM 147 CB MET A 23 3.359 11.171 -5.642 1.00 0.00 C ATOM 148 CG MET A 23 3.809 10.287 -6.812 1.00 0.00 C ATOM 149 SD MET A 23 5.068 10.989 -7.909 1.00 0.00 S ATOM 150 CE MET A 23 5.279 9.611 -9.057 1.00 0.00 C ATOM 0 H MET A 23 5.682 9.829 -4.846 1.00 0.00 H new ATOM 0 HA MET A 23 5.314 12.011 -5.309 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.589 10.654 -5.069 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.910 12.086 -6.027 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.192 9.351 -6.406 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.933 10.040 -7.411 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.025 9.873 -9.807 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.609 8.728 -8.509 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.330 9.399 -9.549 1.00 0.00 H new ATOM 151 N GLY A 24 2.978 12.417 -3.046 1.00 0.00 N ATOM 152 CA GLY A 24 2.526 13.320 -2.002 1.00 0.00 C ATOM 153 C GLY A 24 3.229 13.047 -0.669 1.00 0.00 C ATOM 154 O GLY A 24 2.568 12.970 0.365 1.00 0.00 O ATOM 0 H GLY A 24 2.313 11.675 -3.265 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.712 14.350 -2.307 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.449 13.216 -1.873 1.00 0.00 H new ATOM 155 N SER A 25 4.556 12.887 -0.699 1.00 0.00 N ATOM 156 CA SER A 25 5.421 12.658 0.441 1.00 0.00 C ATOM 157 C SER A 25 4.885 11.542 1.332 1.00 0.00 C ATOM 158 O SER A 25 4.724 11.752 2.533 1.00 0.00 O ATOM 159 CB SER A 25 5.572 13.972 1.220 1.00 0.00 C ATOM 160 OG SER A 25 5.956 15.018 0.345 1.00 0.00 O ATOM 0 H SER A 25 5.076 12.917 -1.576 1.00 0.00 H new ATOM 0 HA SER A 25 6.400 12.333 0.090 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.631 14.224 1.709 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.318 13.854 2.006 1.00 0.00 H new ATOM 0 HG SER A 25 6.048 15.852 0.852 1.00 0.00 H new ATOM 161 N ALA A 26 4.635 10.349 0.776 1.00 0.00 N ATOM 162 CA ALA A 26 4.098 9.286 1.595 1.00 0.00 C ATOM 163 C ALA A 26 4.969 8.900 2.779 1.00 0.00 C ATOM 164 O ALA A 26 6.195 8.931 2.711 1.00 0.00 O ATOM 165 CB ALA A 26 3.918 8.042 0.728 1.00 0.00 C ATOM 0 H ALA A 26 4.793 10.112 -0.203 1.00 0.00 H new ATOM 0 HA ALA A 26 3.159 9.665 1.999 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.513 7.232 1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.230 8.264 -0.088 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.882 7.742 0.318 1.00 0.00 H new ATOM 166 N LYS A 27 4.317 8.503 3.870 1.00 0.00 N ATOM 167 CA LYS A 27 5.020 7.983 5.028 1.00 0.00 C ATOM 168 C LYS A 27 5.756 6.748 4.484 1.00 0.00 C ATOM 169 O LYS A 27 5.091 5.927 3.850 1.00 0.00 O ATOM 170 CB LYS A 27 4.008 7.600 6.115 1.00 0.00 C ATOM 171 CG LYS A 27 3.169 8.800 6.579 1.00 0.00 C ATOM 172 CD LYS A 27 2.154 8.413 7.668 1.00 0.00 C ATOM 173 CE LYS A 27 1.138 7.349 7.222 1.00 0.00 C ATOM 174 NZ LYS A 27 0.395 7.750 6.013 1.00 0.00 N ATOM 0 H LYS A 27 3.302 8.534 3.971 1.00 0.00 H new ATOM 0 HA LYS A 27 5.705 8.698 5.484 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.346 6.822 5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.538 7.178 6.969 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.830 9.578 6.961 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.640 9.223 5.725 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.694 8.043 8.539 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.615 9.307 7.983 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.659 6.411 7.030 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.433 7.162 8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.323 7.031 5.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.071 8.665 6.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.054 7.837 5.213 1.00 0.00 H new ATOM 175 N PRO A 28 7.081 6.597 4.669 1.00 0.00 N ATOM 176 CA PRO A 28 7.843 5.480 4.116 1.00 0.00 C ATOM 177 C PRO A 28 7.112 4.162 4.372 1.00 0.00 C ATOM 178 O PRO A 28 7.043 3.715 5.511 1.00 0.00 O ATOM 179 CB PRO A 28 9.228 5.544 4.769 1.00 0.00 C ATOM 180 CG PRO A 28 9.009 6.394 6.020 1.00 0.00 C ATOM 181 CD PRO A 28 7.901 7.357 5.596 1.00 0.00 C ATOM 0 HA PRO A 28 7.950 5.542 3.033 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.596 4.550 5.022 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.963 5.996 4.103 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.709 5.786 6.873 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.916 6.925 6.310 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.319 7.693 6.454 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.312 8.248 5.121 1.00 0.00 H new ATOM 182 N VAL A 29 6.548 3.566 3.312 1.00 0.00 N ATOM 183 CA VAL A 29 5.765 2.341 3.389 1.00 0.00 C ATOM 184 C VAL A 29 6.622 1.235 4.015 1.00 0.00 C ATOM 185 O VAL A 29 6.091 0.403 4.747 1.00 0.00 O ATOM 186 CB VAL A 29 5.268 1.944 1.982 1.00 0.00 C ATOM 187 CG1 VAL A 29 4.926 0.458 1.852 1.00 0.00 C ATOM 188 CG2 VAL A 29 3.959 2.668 1.655 1.00 0.00 C ATOM 0 H VAL A 29 6.629 3.934 2.364 1.00 0.00 H new ATOM 0 HA VAL A 29 4.888 2.496 4.018 1.00 0.00 H new ATOM 0 HB VAL A 29 6.090 2.206 1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.584 0.251 0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.812 -0.139 2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.138 0.203 2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.621 2.378 0.660 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.200 2.397 2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.122 3.745 1.683 1.00 0.00 H new ATOM 189 N LYS A 30 7.918 1.186 3.671 1.00 0.00 N ATOM 190 CA LYS A 30 8.878 0.206 4.170 1.00 0.00 C ATOM 191 C LYS A 30 8.701 -0.133 5.644 1.00 0.00 C ATOM 192 O LYS A 30 9.158 0.562 6.548 1.00 0.00 O ATOM 193 CB LYS A 30 10.300 0.661 3.852 1.00 0.00 C ATOM 194 CG LYS A 30 11.378 -0.128 4.621 1.00 0.00 C ATOM 195 CD LYS A 30 12.724 -0.166 3.884 1.00 0.00 C ATOM 196 CE LYS A 30 12.819 -1.383 2.954 1.00 0.00 C ATOM 197 NZ LYS A 30 12.968 -2.648 3.694 1.00 0.00 N ATOM 0 H LYS A 30 8.333 1.850 3.018 1.00 0.00 H new ATOM 0 HA LYS A 30 8.680 -0.729 3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.477 0.556 2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.397 1.721 4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.519 0.322 5.604 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.029 -1.148 4.784 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.849 0.748 3.303 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.537 -0.196 4.609 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.925 -1.432 2.333 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.668 -1.257 2.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.382 -3.382 3.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.965 -2.944 3.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.662 -2.512 4.679 1.00 0.00 H new ATOM 198 N GLY A 31 8.054 -1.277 5.827 1.00 0.00 N ATOM 199 CA GLY A 31 7.777 -1.886 7.107 1.00 0.00 C ATOM 200 C GLY A 31 6.956 -0.947 7.964 1.00 0.00 C ATOM 201 O GLY A 31 7.255 -0.782 9.144 1.00 0.00 O ATOM 0 H GLY A 31 7.694 -1.825 5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.239 -2.823 6.964 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.712 -2.129 7.613 1.00 0.00 H new ATOM 202 N GLN A 32 5.913 -0.344 7.374 1.00 0.00 N ATOM 203 CA GLN A 32 5.080 0.592 8.108 1.00 0.00 C ATOM 204 C GLN A 32 4.560 -0.125 9.369 1.00 0.00 C ATOM 205 O GLN A 32 4.551 0.417 10.471 1.00 0.00 O ATOM 206 CB GLN A 32 3.947 1.166 7.233 1.00 0.00 C ATOM 207 CG GLN A 32 4.121 2.668 6.915 1.00 0.00 C ATOM 208 CD GLN A 32 2.993 3.228 6.034 1.00 0.00 C ATOM 209 OE1 GLN A 32 1.863 2.768 6.163 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.251 4.194 5.139 1.00 0.00 N ATOM 0 H GLN A 32 5.637 -0.491 6.403 1.00 0.00 H new ATOM 0 HA GLN A 32 5.667 1.460 8.408 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.900 0.607 6.298 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.994 1.017 7.741 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.159 3.230 7.848 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.076 2.819 6.413 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.197 4.564 5.046 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.501 4.558 4.551 1.00 0.00 H new ATOM 211 N GLY A 33 4.120 -1.367 9.158 1.00 0.00 N ATOM 212 CA GLY A 33 3.672 -2.336 10.142 1.00 0.00 C ATOM 213 C GLY A 33 3.452 -3.648 9.385 1.00 0.00 C ATOM 214 O GLY A 33 4.402 -4.276 8.931 1.00 0.00 O ATOM 0 H GLY A 33 4.066 -1.746 8.212 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.415 -2.462 10.930 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.751 -2.005 10.622 1.00 0.00 H new ATOM 215 N ALA A 34 2.182 -4.000 9.203 1.00 0.00 N ATOM 216 CA ALA A 34 1.594 -5.136 8.484 1.00 0.00 C ATOM 217 C ALA A 34 0.120 -4.981 8.804 1.00 0.00 C ATOM 218 O ALA A 34 -0.692 -4.793 7.909 1.00 0.00 O ATOM 219 CB ALA A 34 2.122 -6.522 8.868 1.00 0.00 C ATOM 0 H ALA A 34 1.444 -3.423 9.607 1.00 0.00 H new ATOM 0 HA ALA A 34 1.847 -5.105 7.424 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.616 -7.282 8.273 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.195 -6.568 8.679 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.932 -6.704 9.926 1.00 0.00 H new ATOM 220 N GLU A 35 -0.196 -4.963 10.103 1.00 0.00 N ATOM 221 CA GLU A 35 -1.543 -4.674 10.563 1.00 0.00 C ATOM 222 C GLU A 35 -1.824 -3.226 10.140 1.00 0.00 C ATOM 223 O GLU A 35 -2.901 -2.920 9.640 1.00 0.00 O ATOM 224 CB GLU A 35 -1.633 -4.865 12.083 1.00 0.00 C ATOM 225 CG GLU A 35 -3.069 -4.671 12.585 1.00 0.00 C ATOM 226 CD GLU A 35 -3.156 -4.874 14.094 1.00 0.00 C ATOM 227 OE1 GLU A 35 -2.917 -3.880 14.812 1.00 0.00 O ATOM 228 OE2 GLU A 35 -3.443 -6.021 14.499 1.00 0.00 O ATOM 0 H GLU A 35 0.472 -5.147 10.852 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.285 -5.346 10.132 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.285 -5.863 12.347 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.972 -4.155 12.581 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.415 -3.669 12.329 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.732 -5.375 12.082 1.00 0.00 H new ATOM 229 N GLU A 36 -0.823 -2.348 10.318 1.00 0.00 N ATOM 230 CA GLU A 36 -0.896 -0.947 9.931 1.00 0.00 C ATOM 231 C GLU A 36 -1.190 -0.871 8.433 1.00 0.00 C ATOM 232 O GLU A 36 -2.242 -0.394 8.024 1.00 0.00 O ATOM 233 CB GLU A 36 0.435 -0.237 10.268 1.00 0.00 C ATOM 234 CG GLU A 36 0.301 1.291 10.233 1.00 0.00 C ATOM 235 CD GLU A 36 -0.697 1.809 11.266 1.00 0.00 C ATOM 236 OE1 GLU A 36 -0.349 1.761 12.466 1.00 0.00 O ATOM 237 OE2 GLU A 36 -1.796 2.225 10.839 1.00 0.00 O ATOM 0 H GLU A 36 0.069 -2.605 10.742 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.692 -0.445 10.480 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.771 -0.548 11.257 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.201 -0.549 9.559 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.276 1.743 10.414 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.015 1.603 9.238 1.00 0.00 H new ATOM 238 N LEU A 37 -0.246 -1.367 7.627 1.00 0.00 N ATOM 239 CA LEU A 37 -0.324 -1.417 6.176 1.00 0.00 C ATOM 240 C LEU A 37 -1.694 -1.932 5.727 1.00 0.00 C ATOM 241 O LEU A 37 -2.342 -1.331 4.877 1.00 0.00 O ATOM 242 CB LEU A 37 0.799 -2.339 5.680 1.00 0.00 C ATOM 243 CG LEU A 37 2.191 -1.697 5.809 1.00 0.00 C ATOM 244 CD1 LEU A 37 3.287 -2.765 5.846 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.443 -0.782 4.612 1.00 0.00 C ATOM 0 H LEU A 37 0.624 -1.758 7.988 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.203 -0.419 5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.778 -3.269 6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.618 -2.598 4.637 1.00 0.00 H new ATOM 0 HG LEU A 37 2.217 -1.128 6.738 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.261 -2.284 5.938 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.125 -3.423 6.700 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.256 -3.350 4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.429 -0.327 4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.396 -1.365 3.692 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.684 -0.000 4.585 1.00 0.00 H new ATOM 246 N TYR A 38 -2.143 -3.044 6.309 1.00 0.00 N ATOM 247 CA TYR A 38 -3.421 -3.659 6.004 1.00 0.00 C ATOM 248 C TYR A 38 -4.575 -2.724 6.321 1.00 0.00 C ATOM 249 O TYR A 38 -5.399 -2.470 5.455 1.00 0.00 O ATOM 250 CB TYR A 38 -3.555 -4.942 6.817 1.00 0.00 C ATOM 251 CG TYR A 38 -4.911 -5.619 6.738 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.277 -6.365 5.602 1.00 0.00 C ATOM 253 CD2 TYR A 38 -5.831 -5.451 7.790 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.542 -6.978 5.540 1.00 0.00 C ATOM 255 CE2 TYR A 38 -7.103 -6.041 7.714 1.00 0.00 C ATOM 256 CZ TYR A 38 -7.453 -6.818 6.599 1.00 0.00 C ATOM 257 OH TYR A 38 -8.705 -7.351 6.536 1.00 0.00 O ATOM 0 H TYR A 38 -1.612 -3.548 7.020 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.458 -3.881 4.937 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.795 -5.647 6.481 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.340 -4.715 7.861 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.587 -6.467 4.778 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.558 -4.867 8.657 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.813 -7.571 4.679 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.813 -5.897 8.515 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.675 -8.199 6.046 1.00 0.00 H new ATOM 258 N LYS A 39 -4.655 -2.230 7.556 1.00 0.00 N ATOM 259 CA LYS A 39 -5.719 -1.339 7.988 1.00 0.00 C ATOM 260 C LYS A 39 -5.768 -0.108 7.086 1.00 0.00 C ATOM 261 O LYS A 39 -6.839 0.348 6.685 1.00 0.00 O ATOM 262 CB LYS A 39 -5.445 -0.951 9.449 1.00 0.00 C ATOM 263 CG LYS A 39 -6.483 0.016 10.034 1.00 0.00 C ATOM 264 CD LYS A 39 -6.203 0.321 11.513 1.00 0.00 C ATOM 265 CE LYS A 39 -4.847 1.012 11.721 1.00 0.00 C ATOM 266 NZ LYS A 39 -4.678 1.465 13.112 1.00 0.00 N ATOM 0 H LYS A 39 -3.976 -2.442 8.287 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.689 -1.831 7.918 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.420 -1.855 10.057 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.458 -0.494 9.516 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.478 0.945 9.463 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.479 -0.415 9.933 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.996 0.957 11.907 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.226 -0.607 12.083 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.043 0.323 11.462 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.765 1.865 11.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.752 1.927 13.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.431 2.141 13.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.731 0.647 13.752 1.00 0.00 H new ATOM 267 N LYS A 40 -4.594 0.423 6.757 1.00 0.00 N ATOM 268 CA LYS A 40 -4.452 1.597 5.939 1.00 0.00 C ATOM 269 C LYS A 40 -4.974 1.323 4.528 1.00 0.00 C ATOM 270 O LYS A 40 -5.856 2.020 4.025 1.00 0.00 O ATOM 271 CB LYS A 40 -2.965 1.936 5.934 1.00 0.00 C ATOM 272 CG LYS A 40 -2.442 2.573 7.231 1.00 0.00 C ATOM 273 CD LYS A 40 -2.726 4.078 7.258 1.00 0.00 C ATOM 274 CE LYS A 40 -2.013 4.776 8.416 1.00 0.00 C ATOM 275 NZ LYS A 40 -2.282 6.225 8.390 1.00 0.00 N ATOM 0 H LYS A 40 -3.703 0.032 7.064 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.032 2.435 6.326 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.400 1.024 5.741 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.765 2.616 5.106 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.913 2.095 8.090 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.369 2.400 7.318 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.408 4.524 6.315 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.800 4.243 7.342 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.348 4.355 9.364 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.940 4.598 8.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.451 6.739 8.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.482 6.523 7.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.103 6.437 8.992 1.00 0.00 H new ATOM 276 N MET A 41 -4.441 0.284 3.886 1.00 0.00 N ATOM 277 CA MET A 41 -4.831 -0.085 2.541 1.00 0.00 C ATOM 278 C MET A 41 -6.322 -0.420 2.518 1.00 0.00 C ATOM 279 O MET A 41 -7.020 -0.037 1.587 1.00 0.00 O ATOM 280 CB MET A 41 -3.949 -1.249 2.094 1.00 0.00 C ATOM 281 CG MET A 41 -3.812 -1.340 0.574 1.00 0.00 C ATOM 282 SD MET A 41 -2.661 -2.599 -0.055 1.00 0.00 S ATOM 283 CE MET A 41 -2.299 -3.566 1.433 1.00 0.00 C ATOM 0 H MET A 41 -3.727 -0.321 4.291 1.00 0.00 H new ATOM 0 HA MET A 41 -4.685 0.736 1.839 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.959 -1.140 2.537 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.367 -2.182 2.473 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.798 -1.536 0.152 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.493 -0.367 0.200 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.619 -4.380 1.181 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.834 -2.923 2.181 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.225 -3.978 1.834 1.00 0.00 H new ATOM 284 N LYS A 42 -6.822 -1.107 3.549 1.00 0.00 N ATOM 285 CA LYS A 42 -8.226 -1.458 3.678 1.00 0.00 C ATOM 286 C LYS A 42 -9.037 -0.167 3.718 1.00 0.00 C ATOM 287 O LYS A 42 -10.052 -0.069 3.037 1.00 0.00 O ATOM 288 CB LYS A 42 -8.431 -2.332 4.919 1.00 0.00 C ATOM 289 CG LYS A 42 -9.848 -2.912 4.996 1.00 0.00 C ATOM 290 CD LYS A 42 -9.884 -3.956 6.117 1.00 0.00 C ATOM 291 CE LYS A 42 -11.221 -4.700 6.153 1.00 0.00 C ATOM 292 NZ LYS A 42 -11.189 -5.782 7.153 1.00 0.00 N ATOM 0 H LYS A 42 -6.248 -1.437 4.325 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.568 -2.047 2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.707 -3.147 4.910 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.234 -1.741 5.813 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.571 -2.121 5.192 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.123 -3.367 4.045 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.073 -4.671 5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.714 -3.467 7.076 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.024 -4.003 6.390 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.439 -5.114 5.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.034 -6.379 7.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.337 -6.361 7.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.174 -5.371 8.108 1.00 0.00 H new ATOM 293 N GLY A 43 -8.572 0.832 4.476 1.00 0.00 N ATOM 294 CA GLY A 43 -9.214 2.131 4.540 1.00 0.00 C ATOM 295 C GLY A 43 -9.423 2.671 3.124 1.00 0.00 C ATOM 296 O GLY A 43 -10.512 3.133 2.797 1.00 0.00 O ATOM 0 H GLY A 43 -7.739 0.753 5.059 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.172 2.049 5.054 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.601 2.823 5.117 1.00 0.00 H new ATOM 297 N TYR A 44 -8.397 2.604 2.265 1.00 0.00 N ATOM 298 CA TYR A 44 -8.541 3.061 0.886 1.00 0.00 C ATOM 299 C TYR A 44 -9.465 2.107 0.110 1.00 0.00 C ATOM 300 O TYR A 44 -10.293 2.556 -0.677 1.00 0.00 O ATOM 301 CB TYR A 44 -7.165 3.165 0.208 1.00 0.00 C ATOM 302 CG TYR A 44 -6.155 4.099 0.849 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.529 5.386 1.275 1.00 0.00 C ATOM 304 CD2 TYR A 44 -4.798 3.730 0.900 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.607 6.185 1.967 1.00 0.00 C ATOM 306 CE2 TYR A 44 -3.850 4.585 1.484 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.266 5.787 2.069 1.00 0.00 C ATOM 308 OH TYR A 44 -3.380 6.575 2.735 1.00 0.00 O ATOM 0 H TYR A 44 -7.473 2.242 2.501 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.992 4.054 0.887 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.729 2.167 0.170 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.317 3.485 -0.823 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.522 5.758 1.070 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.484 2.783 0.487 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.931 7.109 2.423 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.804 4.317 1.482 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.531 6.494 3.700 1.00 0.00 H new ATOM 309 N ALA A 45 -9.336 0.793 0.329 1.00 0.00 N ATOM 310 CA ALA A 45 -10.131 -0.239 -0.331 1.00 0.00 C ATOM 311 C ALA A 45 -11.627 0.037 -0.154 1.00 0.00 C ATOM 312 O ALA A 45 -12.372 0.064 -1.130 1.00 0.00 O ATOM 313 CB ALA A 45 -9.776 -1.625 0.214 1.00 0.00 C ATOM 0 H ALA A 45 -8.657 0.412 0.988 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.900 -0.218 -1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.379 -2.380 -0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.720 -1.826 0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.976 -1.657 1.285 1.00 0.00 H new ATOM 314 N ASP A 46 -12.067 0.224 1.095 1.00 0.00 N ATOM 315 CA ASP A 46 -13.463 0.503 1.417 1.00 0.00 C ATOM 316 C ASP A 46 -13.788 1.989 1.208 1.00 0.00 C ATOM 317 O ASP A 46 -14.937 2.323 0.931 1.00 0.00 O ATOM 318 CB ASP A 46 -13.809 -0.003 2.829 1.00 0.00 C ATOM 319 CG ASP A 46 -12.962 0.566 3.963 1.00 0.00 C ATOM 320 OD1 ASP A 46 -12.844 1.807 4.029 1.00 0.00 O ATOM 321 OD2 ASP A 46 -12.469 -0.251 4.770 1.00 0.00 O ATOM 0 H ASP A 46 -11.458 0.185 1.912 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.103 -0.048 0.728 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -14.855 0.227 3.031 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -13.714 -1.089 2.839 1.00 0.00 H new ATOM 322 N GLY A 47 -12.796 2.878 1.319 1.00 0.00 N ATOM 323 CA GLY A 47 -12.943 4.313 1.112 1.00 0.00 C ATOM 324 C GLY A 47 -13.078 5.117 2.407 1.00 0.00 C ATOM 325 O GLY A 47 -13.273 6.329 2.349 1.00 0.00 O ATOM 0 H GLY A 47 -11.843 2.606 1.562 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.080 4.680 0.557 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.821 4.492 0.492 1.00 0.00 H new ATOM 326 N SER A 48 -12.934 4.493 3.580 1.00 0.00 N ATOM 327 CA SER A 48 -13.046 5.164 4.874 1.00 0.00 C ATOM 328 C SER A 48 -11.715 5.811 5.290 1.00 0.00 C ATOM 329 O SER A 48 -11.447 5.947 6.484 1.00 0.00 O ATOM 330 CB SER A 48 -13.516 4.142 5.921 1.00 0.00 C ATOM 331 OG SER A 48 -13.797 4.785 7.148 1.00 0.00 O ATOM 0 H SER A 48 -12.734 3.496 3.656 1.00 0.00 H new ATOM 0 HA SER A 48 -13.776 5.970 4.797 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.407 3.627 5.561 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.747 3.384 6.069 1.00 0.00 H new ATOM 0 HG SER A 48 -13.043 5.359 7.397 1.00 0.00 H new ATOM 332 N TYR A 49 -10.885 6.208 4.325 1.00 0.00 N ATOM 333 CA TYR A 49 -9.585 6.833 4.500 1.00 0.00 C ATOM 334 C TYR A 49 -9.190 7.322 3.108 1.00 0.00 C ATOM 335 O TYR A 49 -9.585 6.692 2.128 1.00 0.00 O ATOM 336 CB TYR A 49 -8.587 5.793 5.034 1.00 0.00 C ATOM 337 CG TYR A 49 -7.143 6.222 5.227 1.00 0.00 C ATOM 338 CD1 TYR A 49 -6.802 7.478 5.767 1.00 0.00 C ATOM 339 CD2 TYR A 49 -6.125 5.292 4.953 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.449 7.824 5.944 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.778 5.632 5.143 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.433 6.912 5.607 1.00 0.00 C ATOM 343 OH TYR A 49 -3.125 7.255 5.784 1.00 0.00 O ATOM 0 H TYR A 49 -11.123 6.092 3.340 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.599 7.655 5.215 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.960 5.435 5.994 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.594 4.943 4.352 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.579 8.175 6.045 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.383 4.307 4.593 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.190 8.795 6.341 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.004 4.908 4.932 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.069 8.045 6.361 1.00 0.00 H new ATOM 372 N LYS A 54 -3.977 10.241 -2.053 1.00 0.00 N ATOM 373 CA LYS A 54 -4.395 8.885 -1.846 1.00 0.00 C ATOM 374 C LYS A 54 -5.530 8.512 -2.827 1.00 0.00 C ATOM 375 O LYS A 54 -6.133 7.443 -2.705 1.00 0.00 O ATOM 376 CB LYS A 54 -4.830 8.823 -0.387 1.00 0.00 C ATOM 377 CG LYS A 54 -3.618 8.941 0.552 1.00 0.00 C ATOM 378 CD LYS A 54 -4.017 9.460 1.941 1.00 0.00 C ATOM 379 CE LYS A 54 -4.091 10.987 1.960 1.00 0.00 C ATOM 380 NZ LYS A 54 -4.728 11.479 3.194 1.00 0.00 N ATOM 0 HA LYS A 54 -3.602 8.163 -2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.536 9.627 -0.179 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.351 7.885 -0.198 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.140 7.966 0.652 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.882 9.613 0.111 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.983 9.043 2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.293 9.119 2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.087 11.403 1.877 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.653 11.336 1.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.763 12.518 3.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.695 11.101 3.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.177 11.165 4.018 1.00 0.00 H new ATOM 381 N ALA A 55 -5.848 9.372 -3.805 1.00 0.00 N ATOM 382 CA ALA A 55 -6.879 9.068 -4.791 1.00 0.00 C ATOM 383 C ALA A 55 -6.362 7.944 -5.688 1.00 0.00 C ATOM 384 O ALA A 55 -7.057 6.958 -5.943 1.00 0.00 O ATOM 385 CB ALA A 55 -7.214 10.319 -5.608 1.00 0.00 C ATOM 0 H ALA A 55 -5.403 10.281 -3.929 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.796 8.746 -4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.985 10.080 -6.341 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.577 11.102 -4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.319 10.667 -6.124 1.00 0.00 H new ATOM 386 N MET A 56 -5.118 8.096 -6.154 1.00 0.00 N ATOM 387 CA MET A 56 -4.442 7.112 -6.986 1.00 0.00 C ATOM 388 C MET A 56 -4.412 5.795 -6.213 1.00 0.00 C ATOM 389 O MET A 56 -4.716 4.738 -6.758 1.00 0.00 O ATOM 390 CB MET A 56 -3.017 7.577 -7.327 1.00 0.00 C ATOM 391 CG MET A 56 -2.988 8.772 -8.292 1.00 0.00 C ATOM 392 SD MET A 56 -3.391 10.402 -7.604 1.00 0.00 S ATOM 393 CE MET A 56 -1.846 10.779 -6.750 1.00 0.00 C ATOM 0 H MET A 56 -4.550 8.920 -5.957 1.00 0.00 H new ATOM 0 HA MET A 56 -4.973 6.984 -7.929 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.500 7.848 -6.407 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.466 6.747 -7.769 1.00 0.00 H new ATOM 0 HG2 MET A 56 -1.992 8.827 -8.731 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.684 8.567 -9.105 1.00 0.00 H new ATOM 0 HE1 MET A 56 -1.924 11.754 -6.269 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.652 10.017 -5.995 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.027 10.794 -7.469 1.00 0.00 H new ATOM 394 N MET A 57 -4.073 5.890 -4.924 1.00 0.00 N ATOM 395 CA MET A 57 -4.031 4.766 -4.011 1.00 0.00 C ATOM 396 C MET A 57 -5.363 4.034 -4.060 1.00 0.00 C ATOM 397 O MET A 57 -5.417 2.886 -4.483 1.00 0.00 O ATOM 398 CB MET A 57 -3.734 5.284 -2.595 1.00 0.00 C ATOM 399 CG MET A 57 -2.238 5.304 -2.308 1.00 0.00 C ATOM 400 SD MET A 57 -1.449 3.699 -2.512 1.00 0.00 S ATOM 401 CE MET A 57 -2.512 2.612 -1.541 1.00 0.00 C ATOM 0 H MET A 57 -3.816 6.774 -4.486 1.00 0.00 H new ATOM 0 HA MET A 57 -3.244 4.068 -4.297 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.140 6.289 -2.482 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.237 4.652 -1.863 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.758 6.023 -2.971 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.076 5.653 -1.288 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.216 1.575 -1.701 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.415 2.858 -0.484 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.549 2.745 -1.851 1.00 0.00 H new ATOM 402 N THR A 58 -6.433 4.710 -3.646 1.00 0.00 N ATOM 403 CA THR A 58 -7.793 4.198 -3.656 1.00 0.00 C ATOM 404 C THR A 58 -8.071 3.489 -4.981 1.00 0.00 C ATOM 405 O THR A 58 -8.503 2.341 -4.979 1.00 0.00 O ATOM 406 CB THR A 58 -8.761 5.367 -3.404 1.00 0.00 C ATOM 407 OG1 THR A 58 -8.434 5.985 -2.174 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.217 4.901 -3.339 1.00 0.00 C ATOM 0 H THR A 58 -6.370 5.661 -3.283 1.00 0.00 H new ATOM 0 HA THR A 58 -7.935 3.462 -2.865 1.00 0.00 H new ATOM 0 HB THR A 58 -8.660 6.065 -4.235 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.711 6.632 -2.315 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.866 5.758 -3.160 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.491 4.430 -4.283 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.333 4.182 -2.528 1.00 0.00 H new ATOM 409 N ASN A 59 -7.779 4.145 -6.106 1.00 0.00 N ATOM 410 CA ASN A 59 -8.008 3.552 -7.422 1.00 0.00 C ATOM 411 C ASN A 59 -7.192 2.268 -7.615 1.00 0.00 C ATOM 412 O ASN A 59 -7.725 1.283 -8.121 1.00 0.00 O ATOM 413 CB ASN A 59 -7.682 4.559 -8.535 1.00 0.00 C ATOM 414 CG ASN A 59 -8.835 5.526 -8.786 1.00 0.00 C ATOM 415 OD1 ASN A 59 -9.625 5.333 -9.703 1.00 0.00 O ATOM 416 ND2 ASN A 59 -8.951 6.579 -7.984 1.00 0.00 N ATOM 0 H ASN A 59 -7.384 5.085 -6.131 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.064 3.289 -7.481 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.789 5.122 -8.264 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.453 4.021 -9.455 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.709 7.247 -8.125 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.282 6.720 -7.227 1.00 0.00 H new ATOM 417 N ALA A 60 -5.914 2.254 -7.223 1.00 0.00 N ATOM 418 CA ALA A 60 -5.063 1.082 -7.396 1.00 0.00 C ATOM 419 C ALA A 60 -5.535 -0.072 -6.512 1.00 0.00 C ATOM 420 O ALA A 60 -5.552 -1.230 -6.918 1.00 0.00 O ATOM 421 CB ALA A 60 -3.618 1.451 -7.041 1.00 0.00 C ATOM 0 H ALA A 60 -5.448 3.047 -6.782 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.119 0.758 -8.435 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.978 0.578 -7.169 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.275 2.251 -7.697 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.572 1.786 -6.005 1.00 0.00 H new ATOM 422 N VAL A 61 -5.907 0.264 -5.284 1.00 0.00 N ATOM 423 CA VAL A 61 -6.343 -0.644 -4.246 1.00 0.00 C ATOM 424 C VAL A 61 -7.728 -1.238 -4.509 1.00 0.00 C ATOM 425 O VAL A 61 -7.940 -2.414 -4.219 1.00 0.00 O ATOM 426 CB VAL A 61 -6.294 0.153 -2.931 1.00 0.00 C ATOM 427 CG1 VAL A 61 -6.916 -0.585 -1.761 1.00 0.00 C ATOM 428 CG2 VAL A 61 -4.854 0.450 -2.508 1.00 0.00 C ATOM 0 H VAL A 61 -5.911 1.236 -4.974 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.687 -1.513 -4.206 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.854 1.063 -3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.849 0.032 -0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.963 -0.796 -1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.384 -1.522 -1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.858 1.014 -1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.317 -0.487 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.360 1.035 -3.284 1.00 0.00 H new ATOM 429 N LYS A 62 -8.664 -0.453 -5.047 1.00 0.00 N ATOM 430 CA LYS A 62 -10.048 -0.861 -5.284 1.00 0.00 C ATOM 431 C LYS A 62 -10.202 -2.249 -5.924 1.00 0.00 C ATOM 432 O LYS A 62 -11.163 -2.951 -5.622 1.00 0.00 O ATOM 433 CB LYS A 62 -10.751 0.203 -6.146 1.00 0.00 C ATOM 434 CG LYS A 62 -12.278 0.153 -6.030 1.00 0.00 C ATOM 435 CD LYS A 62 -12.835 0.536 -4.646 1.00 0.00 C ATOM 436 CE LYS A 62 -12.267 1.857 -4.105 1.00 0.00 C ATOM 437 NZ LYS A 62 -12.960 2.281 -2.876 1.00 0.00 N ATOM 0 H LYS A 62 -8.475 0.507 -5.336 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.517 -0.941 -4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.402 1.192 -5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.466 0.064 -7.189 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.707 0.822 -6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.614 -0.855 -6.275 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.920 0.614 -4.708 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.613 -0.263 -3.939 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.203 1.740 -3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.363 2.633 -4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.563 3.184 -2.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.974 2.400 -3.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.833 1.559 -2.139 1.00 0.00 H new ATOM 438 N LYS A 63 -9.284 -2.651 -6.808 1.00 0.00 N ATOM 439 CA LYS A 63 -9.382 -3.939 -7.486 1.00 0.00 C ATOM 440 C LYS A 63 -9.046 -5.139 -6.587 1.00 0.00 C ATOM 441 O LYS A 63 -9.329 -6.269 -6.979 1.00 0.00 O ATOM 442 CB LYS A 63 -8.494 -3.920 -8.741 1.00 0.00 C ATOM 443 CG LYS A 63 -6.989 -3.959 -8.442 1.00 0.00 C ATOM 444 CD LYS A 63 -6.195 -3.780 -9.744 1.00 0.00 C ATOM 445 CE LYS A 63 -4.689 -3.954 -9.519 1.00 0.00 C ATOM 446 NZ LYS A 63 -4.120 -2.865 -8.705 1.00 0.00 N ATOM 0 H LYS A 63 -8.466 -2.100 -7.068 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.426 -4.077 -7.768 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.751 -4.773 -9.369 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.716 -3.022 -9.317 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.729 -3.171 -7.735 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.727 -4.907 -7.973 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.539 -4.505 -10.482 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.389 -2.789 -10.155 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.505 -4.909 -9.026 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.181 -3.989 -10.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.554 -2.238 -9.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.890 -2.320 -8.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.514 -3.267 -7.962 1.00 0.00 H new ATOM 447 N TYR A 64 -8.413 -4.942 -5.424 1.00 0.00 N ATOM 448 CA TYR A 64 -8.045 -6.017 -4.540 1.00 0.00 C ATOM 449 C TYR A 64 -9.202 -6.409 -3.630 1.00 0.00 C ATOM 450 O TYR A 64 -10.283 -5.828 -3.617 1.00 0.00 O ATOM 451 CB TYR A 64 -6.822 -5.566 -3.721 1.00 0.00 C ATOM 452 CG TYR A 64 -5.576 -5.295 -4.542 1.00 0.00 C ATOM 453 CD1 TYR A 64 -5.182 -6.179 -5.565 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.794 -4.160 -4.269 1.00 0.00 C ATOM 455 CE1 TYR A 64 -4.073 -5.879 -6.369 1.00 0.00 C ATOM 456 CE2 TYR A 64 -3.686 -3.857 -5.077 1.00 0.00 C ATOM 457 CZ TYR A 64 -3.322 -4.720 -6.125 1.00 0.00 C ATOM 458 OH TYR A 64 -2.246 -4.432 -6.911 1.00 0.00 O ATOM 0 H TYR A 64 -8.147 -4.019 -5.082 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.795 -6.903 -5.124 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.083 -4.661 -3.172 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.594 -6.333 -2.981 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.736 -7.091 -5.731 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.045 -3.520 -3.436 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.797 -6.541 -7.177 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.113 -2.960 -4.893 1.00 0.00 H new ATOM 0 HH TYR A 64 -1.836 -3.594 -6.610 1.00 0.00 H new ATOM 459 N SER A 65 -8.904 -7.450 -2.870 1.00 0.00 N ATOM 460 CA SER A 65 -9.734 -8.090 -1.864 1.00 0.00 C ATOM 461 C SER A 65 -8.855 -8.394 -0.660 1.00 0.00 C ATOM 462 O SER A 65 -7.631 -8.341 -0.756 1.00 0.00 O ATOM 463 CB SER A 65 -10.378 -9.357 -2.427 1.00 0.00 C ATOM 464 OG SER A 65 -11.120 -10.025 -1.422 1.00 0.00 O ATOM 0 H SER A 65 -7.996 -7.908 -2.949 1.00 0.00 H new ATOM 0 HA SER A 65 -10.549 -7.432 -1.562 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.032 -9.100 -3.260 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.607 -10.020 -2.820 1.00 0.00 H new ATOM 0 HG SER A 65 -11.527 -10.833 -1.799 1.00 0.00 H new ATOM 465 N ASP A 66 -9.504 -8.748 0.446 1.00 0.00 N ATOM 466 CA ASP A 66 -8.903 -9.038 1.744 1.00 0.00 C ATOM 467 C ASP A 66 -7.604 -9.837 1.641 1.00 0.00 C ATOM 468 O ASP A 66 -6.588 -9.443 2.207 1.00 0.00 O ATOM 469 CB ASP A 66 -9.920 -9.794 2.606 1.00 0.00 C ATOM 470 CG ASP A 66 -9.306 -10.197 3.940 1.00 0.00 C ATOM 471 OD1 ASP A 66 -8.963 -9.272 4.706 1.00 0.00 O ATOM 472 OD2 ASP A 66 -9.166 -11.419 4.161 1.00 0.00 O ATOM 0 H ASP A 66 -10.519 -8.845 0.461 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.640 -8.085 2.204 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.795 -9.167 2.778 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.264 -10.682 2.076 1.00 0.00 H new ATOM 473 N GLU A 67 -7.636 -10.956 0.917 1.00 0.00 N ATOM 474 CA GLU A 67 -6.468 -11.815 0.760 1.00 0.00 C ATOM 475 C GLU A 67 -5.319 -11.047 0.102 1.00 0.00 C ATOM 476 O GLU A 67 -4.173 -11.102 0.548 1.00 0.00 O ATOM 477 CB GLU A 67 -6.854 -13.043 -0.081 1.00 0.00 C ATOM 478 CG GLU A 67 -5.701 -14.055 -0.193 1.00 0.00 C ATOM 479 CD GLU A 67 -5.937 -15.065 -1.313 1.00 0.00 C ATOM 480 OE1 GLU A 67 -6.986 -15.741 -1.260 1.00 0.00 O ATOM 481 OE2 GLU A 67 -5.060 -15.135 -2.206 1.00 0.00 O ATOM 0 H GLU A 67 -8.467 -11.288 0.427 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.128 -12.145 1.742 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.721 -13.530 0.366 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.150 -12.720 -1.079 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.767 -13.523 -0.375 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.588 -14.583 0.754 1.00 0.00 H new ATOM 482 N GLU A 68 -5.627 -10.346 -0.987 1.00 0.00 N ATOM 483 CA GLU A 68 -4.654 -9.591 -1.743 1.00 0.00 C ATOM 484 C GLU A 68 -4.091 -8.470 -0.867 1.00 0.00 C ATOM 485 O GLU A 68 -2.878 -8.289 -0.819 1.00 0.00 O ATOM 486 CB GLU A 68 -5.323 -9.084 -3.023 1.00 0.00 C ATOM 487 CG GLU A 68 -6.064 -10.174 -3.819 1.00 0.00 C ATOM 488 CD GLU A 68 -5.307 -11.499 -3.896 1.00 0.00 C ATOM 489 OE1 GLU A 68 -4.265 -11.551 -4.583 1.00 0.00 O ATOM 490 OE2 GLU A 68 -5.767 -12.461 -3.245 1.00 0.00 O ATOM 0 H GLU A 68 -6.572 -10.291 -1.366 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.806 -10.209 -2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.029 -8.295 -2.763 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.564 -8.634 -3.663 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.038 -10.348 -3.361 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.248 -9.811 -4.830 1.00 0.00 H new ATOM 491 N LEU A 69 -4.953 -7.739 -0.154 1.00 0.00 N ATOM 492 CA LEU A 69 -4.523 -6.676 0.745 1.00 0.00 C ATOM 493 C LEU A 69 -3.587 -7.239 1.809 1.00 0.00 C ATOM 494 O LEU A 69 -2.502 -6.707 2.032 1.00 0.00 O ATOM 495 CB LEU A 69 -5.731 -6.028 1.436 1.00 0.00 C ATOM 496 CG LEU A 69 -6.693 -5.299 0.491 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.736 -4.571 1.343 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.953 -4.292 -0.386 1.00 0.00 C ATOM 0 H LEU A 69 -5.964 -7.870 -0.187 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.002 -5.923 0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.284 -6.800 1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.369 -5.320 2.182 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.168 -6.026 -0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.433 -4.044 0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.281 -5.295 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.237 -3.855 1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.663 -3.792 -1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.461 -3.552 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.206 -4.812 -0.986 1.00 0.00 H new ATOM 499 N LYS A 70 -4.009 -8.316 2.471 1.00 0.00 N ATOM 500 CA LYS A 70 -3.231 -8.960 3.512 1.00 0.00 C ATOM 501 C LYS A 70 -1.873 -9.393 2.958 1.00 0.00 C ATOM 502 O LYS A 70 -0.851 -9.185 3.610 1.00 0.00 O ATOM 503 CB LYS A 70 -4.045 -10.141 4.053 1.00 0.00 C ATOM 504 CG LYS A 70 -3.462 -10.742 5.335 1.00 0.00 C ATOM 505 CD LYS A 70 -4.188 -12.029 5.761 1.00 0.00 C ATOM 506 CE LYS A 70 -5.709 -11.868 5.924 1.00 0.00 C ATOM 507 NZ LYS A 70 -6.433 -12.042 4.650 1.00 0.00 N ATOM 0 H LYS A 70 -4.908 -8.764 2.294 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.029 -8.272 4.333 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.066 -9.811 4.246 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.099 -10.916 3.289 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.404 -10.958 5.184 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.526 -10.009 6.139 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.993 -12.805 5.021 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.767 -12.375 6.705 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.073 -12.597 6.648 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.926 -10.880 6.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.074 -11.237 4.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.751 -12.090 3.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.985 -12.923 4.682 1.00 0.00 H new ATOM 508 N ALA A 71 -1.851 -9.967 1.751 1.00 0.00 N ATOM 509 CA ALA A 71 -0.620 -10.420 1.134 1.00 0.00 C ATOM 510 C ALA A 71 0.271 -9.221 0.831 1.00 0.00 C ATOM 511 O ALA A 71 1.461 -9.244 1.139 1.00 0.00 O ATOM 512 CB ALA A 71 -0.942 -11.208 -0.136 1.00 0.00 C ATOM 0 H ALA A 71 -2.685 -10.126 1.185 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.083 -11.079 1.816 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.015 -11.548 -0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.558 -12.071 0.117 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.482 -10.568 -0.834 1.00 0.00 H new ATOM 513 N LEU A 72 -0.294 -8.170 0.232 1.00 0.00 N ATOM 514 CA LEU A 72 0.473 -6.985 -0.089 1.00 0.00 C ATOM 515 C LEU A 72 1.078 -6.394 1.174 1.00 0.00 C ATOM 516 O LEU A 72 2.262 -6.084 1.188 1.00 0.00 O ATOM 517 CB LEU A 72 -0.465 -5.971 -0.732 1.00 0.00 C ATOM 518 CG LEU A 72 -0.470 -6.184 -2.236 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.402 -5.167 -2.842 1.00 0.00 C ATOM 520 CD2 LEU A 72 0.920 -5.889 -2.779 1.00 0.00 C ATOM 0 H LEU A 72 -1.277 -8.124 -0.036 1.00 0.00 H new ATOM 0 HA LEU A 72 1.283 -7.240 -0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.473 -6.085 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.141 -4.957 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.772 -7.205 -2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.427 -5.295 -3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.405 -5.306 -2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.050 -4.163 -2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.928 -6.039 -3.859 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.187 -4.856 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.642 -6.560 -2.314 1.00 0.00 H new ATOM 521 N ALA A 73 0.268 -6.211 2.218 1.00 0.00 N ATOM 522 CA ALA A 73 0.731 -5.643 3.471 1.00 0.00 C ATOM 523 C ALA A 73 1.828 -6.527 4.067 1.00 0.00 C ATOM 524 O ALA A 73 2.875 -6.021 4.461 1.00 0.00 O ATOM 525 CB ALA A 73 -0.455 -5.506 4.427 1.00 0.00 C ATOM 0 H ALA A 73 -0.723 -6.454 2.212 1.00 0.00 H new ATOM 0 HA ALA A 73 1.155 -4.654 3.301 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.114 -5.080 5.371 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.206 -4.852 3.984 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.891 -6.488 4.609 1.00 0.00 H new ATOM 526 N ASP A 74 1.593 -7.841 4.155 1.00 0.00 N ATOM 527 CA ASP A 74 2.588 -8.792 4.634 1.00 0.00 C ATOM 528 C ASP A 74 3.892 -8.589 3.859 1.00 0.00 C ATOM 529 O ASP A 74 4.961 -8.531 4.459 1.00 0.00 O ATOM 530 CB ASP A 74 2.075 -10.225 4.459 1.00 0.00 C ATOM 531 CG ASP A 74 3.158 -11.238 4.812 1.00 0.00 C ATOM 532 OD1 ASP A 74 3.292 -11.526 6.020 1.00 0.00 O ATOM 533 OD2 ASP A 74 3.837 -11.696 3.868 1.00 0.00 O ATOM 0 H ASP A 74 0.705 -8.270 3.895 1.00 0.00 H new ATOM 0 HA ASP A 74 2.773 -8.624 5.695 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.203 -10.383 5.093 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.752 -10.376 3.429 1.00 0.00 H new ATOM 534 N TYR A 75 3.814 -8.455 2.531 1.00 0.00 N ATOM 535 CA TYR A 75 5.012 -8.220 1.735 1.00 0.00 C ATOM 536 C TYR A 75 5.627 -6.881 2.153 1.00 0.00 C ATOM 537 O TYR A 75 6.777 -6.867 2.577 1.00 0.00 O ATOM 538 CB TYR A 75 4.739 -8.272 0.229 1.00 0.00 C ATOM 539 CG TYR A 75 5.931 -7.765 -0.564 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.192 -8.370 -0.385 1.00 0.00 C ATOM 541 CD2 TYR A 75 5.851 -6.525 -1.223 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.361 -7.726 -0.826 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.013 -5.926 -1.739 1.00 0.00 C ATOM 544 CZ TYR A 75 8.272 -6.500 -1.503 1.00 0.00 C ATOM 545 OH TYR A 75 9.389 -5.871 -1.959 1.00 0.00 O ATOM 0 H TYR A 75 2.947 -8.505 1.996 1.00 0.00 H new ATOM 0 HA TYR A 75 5.721 -9.024 1.930 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.511 -9.296 -0.067 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.861 -7.670 -0.005 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.260 -9.335 0.094 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.896 -6.033 -1.333 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.327 -8.174 -0.644 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.937 -5.019 -2.320 1.00 0.00 H new ATOM 0 HH TYR A 75 10.086 -5.902 -1.271 1.00 0.00 H new ATOM 546 N MET A 76 4.890 -5.765 2.040 1.00 0.00 N ATOM 547 CA MET A 76 5.377 -4.450 2.464 1.00 0.00 C ATOM 548 C MET A 76 5.997 -4.472 3.877 1.00 0.00 C ATOM 549 O MET A 76 6.880 -3.672 4.182 1.00 0.00 O ATOM 550 CB MET A 76 4.213 -3.462 2.436 1.00 0.00 C ATOM 551 CG MET A 76 3.853 -3.009 1.021 1.00 0.00 C ATOM 552 SD MET A 76 2.547 -1.755 0.972 1.00 0.00 S ATOM 553 CE MET A 76 1.074 -2.772 1.126 1.00 0.00 C ATOM 0 H MET A 76 3.946 -5.752 1.654 1.00 0.00 H new ATOM 0 HA MET A 76 6.165 -4.149 1.773 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.340 -3.923 2.898 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.468 -2.590 3.038 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.745 -2.611 0.538 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.535 -3.875 0.441 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.303 -2.400 0.451 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.315 -3.803 0.868 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.709 -2.731 2.152 1.00 0.00 H new ATOM 554 N SER A 77 5.525 -5.352 4.764 1.00 0.00 N ATOM 555 CA SER A 77 6.085 -5.485 6.109 1.00 0.00 C ATOM 556 C SER A 77 7.600 -5.742 6.020 1.00 0.00 C ATOM 557 O SER A 77 8.369 -5.229 6.830 1.00 0.00 O ATOM 558 CB SER A 77 5.365 -6.601 6.885 1.00 0.00 C ATOM 559 OG SER A 77 5.710 -6.559 8.254 1.00 0.00 O ATOM 0 H SER A 77 4.750 -5.987 4.571 1.00 0.00 H new ATOM 0 HA SER A 77 5.930 -4.556 6.657 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.286 -6.491 6.773 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.632 -7.572 6.467 1.00 0.00 H new ATOM 0 HG SER A 77 5.403 -5.713 8.643 1.00 0.00 H new ATOM 560 N LYS A 78 8.023 -6.508 5.010 1.00 0.00 N ATOM 561 CA LYS A 78 9.385 -6.887 4.701 1.00 0.00 C ATOM 562 C LYS A 78 9.707 -6.423 3.275 1.00 0.00 C ATOM 563 O LYS A 78 10.242 -7.188 2.476 1.00 0.00 O ATOM 564 CB LYS A 78 9.465 -8.406 4.892 1.00 0.00 C ATOM 565 CG LYS A 78 8.499 -9.221 4.016 1.00 0.00 C ATOM 566 CD LYS A 78 8.615 -10.715 4.342 1.00 0.00 C ATOM 567 CE LYS A 78 7.510 -11.517 3.646 1.00 0.00 C ATOM 568 NZ LYS A 78 7.585 -11.396 2.180 1.00 0.00 N ATOM 0 H LYS A 78 7.362 -6.905 4.342 1.00 0.00 H new ATOM 0 HA LYS A 78 10.128 -6.421 5.348 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.484 -8.731 4.682 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.266 -8.637 5.939 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.476 -8.884 4.181 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.723 -9.053 2.963 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.591 -11.085 4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.551 -10.862 5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.590 -12.567 3.928 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.536 -11.168 3.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.887 -12.031 1.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.382 -10.415 1.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.539 -11.657 1.859 1.00 0.00 H new ATOM 569 N LEU A 79 9.329 -5.173 2.982 1.00 0.00 N ATOM 570 CA LEU A 79 9.495 -4.501 1.699 1.00 0.00 C ATOM 571 C LEU A 79 10.902 -4.722 1.134 1.00 0.00 C ATOM 572 O LEU A 79 11.864 -4.309 1.817 1.00 0.00 O ATOM 573 CB LEU A 79 9.178 -3.011 1.926 1.00 0.00 C ATOM 574 CG LEU A 79 9.026 -2.085 0.708 1.00 0.00 C ATOM 575 CD1 LEU A 79 8.748 -2.795 -0.596 1.00 0.00 C ATOM 576 CD2 LEU A 79 7.794 -1.191 0.872 1.00 0.00 C ATOM 577 OXT LEU A 79 10.987 -5.293 0.022 1.00 0.00 O ATOM 0 H LEU A 79 8.876 -4.576 3.674 1.00 0.00 H new ATOM 0 HA LEU A 79 8.816 -4.912 0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.252 -2.956 2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.967 -2.599 2.555 1.00 0.00 H new ATOM 0 HG LEU A 79 9.981 -1.561 0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.656 -2.062 -1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.568 -3.477 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.819 -3.359 -0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.698 -0.540 0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.903 -1.812 0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.903 -0.583 1.770 1.00 0.00 H new