USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=31 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 NoAdj-H: A 14 HIS HE2 : A 14 HIS NE2 : A 80 HEMFE :(H bumps) USER MOD Set 1.1: A 59 ASN : amide:sc= 0.275 K(o=1,f=-0.21) USER MOD Set 1.2: A 62 LYS NZ :NH3+ -175:sc= 0.769 (180deg=0.607) USER MOD Set 2.1: A 40 LYS NZ :NH3+ 176:sc= 1.18 (180deg=0.532) USER MOD Set 2.2: A 44 TYR OH : rot 142:sc= 1.04 USER MOD Set 2.3: A 49 TYR OH : rot -175:sc= 1.71 USER MOD Set 3.1: A 41 MET CE :methyl -169:sc= -0.244 (180deg=-0.414) USER MOD Set 3.2: A 76 MET CE :methyl -139:sc= -1.16 (180deg=-3.02!) USER MOD Set 3.3: A 80 HEM CMA :methyl -30:sc= -2.07 (180deg=-5.58!) USER MOD Set 4.1: A 27 LYS NZ :NH3+ -156:sc= 0.412 (180deg=-0.201) USER MOD Set 4.2: A 32 GLN : amide:sc= -0.186 K(o=0.23,f=-5.9!) USER MOD Single : A 1 ALA N :NH3+ -153:sc= 2.09 (180deg=0.365) USER MOD Single : A 7 TYR OH : rot 30:sc= -0.394 USER MOD Single : A 8 LYS NZ :NH3+ 173:sc= 1.01 (180deg=0.975) USER MOD Single : A 9 SER OG : rot 88:sc= 0.979 USER MOD Single : A 19 SER OG : rot -125:sc= 1.35 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 82:sc= 0.426 USER MOD Single : A 30 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0534) USER MOD Single : A 38 TYR OH : rot 4:sc= 1.27 USER MOD Single : A 39 LYS NZ :NH3+ 169:sc= 0.531 (180deg=0.456) USER MOD Single : A 42 LYS NZ :NH3+ 165:sc= 0.937 (180deg=0.67) USER MOD Single : A 48 SER OG : rot -37:sc= 0.685 USER MOD Single : A 54 LYS NZ :NH3+ 177:sc= 0.32 (180deg=0.282) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 157:sc= -3.76 (180deg=-5.6!) USER MOD Single : A 58 THR OG1 : rot 82:sc= 1.04 USER MOD Single : A 63 LYS NZ :NH3+ -134:sc= 0.212 (180deg=-0.0921) USER MOD Single : A 64 TYR OH : rot 30:sc= 0 USER MOD Single : A 65 SER OG : rot 16:sc= 0.423 USER MOD Single : A 70 LYS NZ :NH3+ -115:sc= 0.319 (180deg=0) USER MOD Single : A 75 TYR OH : rot -32:sc= 1.25 USER MOD Single : A 77 SER OG : rot 67:sc= 1.04 USER MOD Single : A 78 LYS NZ :NH3+ 147:sc= 1.22 (180deg=-0.136!) USER MOD Single : A 80 HEM CMB :methyl -30:sc= -0.796 (180deg=-1.67) USER MOD Single : A 80 HEM CMC :methyl 150:sc= -0.807 (180deg=-0.807) USER MOD Single : A 80 HEM CMD :methyl -30:sc= -0.0712 (180deg=-1.91) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.904 -13.467 -3.016 1.00 0.00 N ATOM 2 CA ALA A 1 -1.911 -14.102 -3.894 1.00 0.00 C ATOM 3 C ALA A 1 -0.537 -13.571 -3.493 1.00 0.00 C ATOM 4 O ALA A 1 -0.440 -12.990 -2.415 1.00 0.00 O ATOM 5 CB ALA A 1 -2.238 -13.837 -5.369 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.733 -14.088 -2.923 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.485 -13.305 -2.078 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.198 -12.557 -3.425 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.924 -15.186 -3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.489 -14.317 -6.000 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.223 -14.243 -5.602 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.235 -12.763 -5.555 1.00 0.00 H new ATOM 6 N ASP A 2 0.494 -13.755 -4.318 1.00 0.00 N ATOM 7 CA ASP A 2 1.859 -13.327 -4.043 1.00 0.00 C ATOM 8 C ASP A 2 1.956 -11.813 -3.833 1.00 0.00 C ATOM 9 O ASP A 2 2.073 -11.057 -4.797 1.00 0.00 O ATOM 10 CB ASP A 2 2.760 -13.761 -5.210 1.00 0.00 C ATOM 11 CG ASP A 2 2.673 -15.260 -5.473 1.00 0.00 C ATOM 12 OD1 ASP A 2 1.595 -15.675 -5.957 1.00 0.00 O ATOM 13 OD2 ASP A 2 3.664 -15.956 -5.167 1.00 0.00 O ATOM 0 H ASP A 2 0.396 -14.219 -5.221 1.00 0.00 H new ATOM 0 HA ASP A 2 2.187 -13.798 -3.117 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.473 -13.218 -6.111 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.793 -13.491 -4.990 1.00 0.00 H new ATOM 14 N GLY A 3 1.946 -11.367 -2.572 1.00 0.00 N ATOM 15 CA GLY A 3 2.058 -9.960 -2.205 1.00 0.00 C ATOM 16 C GLY A 3 3.207 -9.290 -2.956 1.00 0.00 C ATOM 17 O GLY A 3 3.039 -8.239 -3.568 1.00 0.00 O ATOM 0 H GLY A 3 1.858 -11.988 -1.768 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.123 -9.446 -2.429 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.220 -9.872 -1.131 1.00 0.00 H new ATOM 18 N ALA A 4 4.373 -9.937 -2.963 1.00 0.00 N ATOM 19 CA ALA A 4 5.550 -9.422 -3.646 1.00 0.00 C ATOM 20 C ALA A 4 5.305 -9.127 -5.123 1.00 0.00 C ATOM 21 O ALA A 4 5.956 -8.243 -5.669 1.00 0.00 O ATOM 22 CB ALA A 4 6.701 -10.421 -3.495 1.00 0.00 C ATOM 0 H ALA A 4 4.523 -10.831 -2.495 1.00 0.00 H new ATOM 0 HA ALA A 4 5.805 -8.471 -3.178 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.585 -10.038 -4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.925 -10.561 -2.437 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.414 -11.376 -3.934 1.00 0.00 H new ATOM 23 N ALA A 5 4.397 -9.849 -5.781 1.00 0.00 N ATOM 24 CA ALA A 5 4.112 -9.610 -7.182 1.00 0.00 C ATOM 25 C ALA A 5 3.143 -8.442 -7.273 1.00 0.00 C ATOM 26 O ALA A 5 3.365 -7.509 -8.040 1.00 0.00 O ATOM 27 CB ALA A 5 3.525 -10.870 -7.825 1.00 0.00 C ATOM 0 H ALA A 5 3.851 -10.601 -5.360 1.00 0.00 H new ATOM 0 HA ALA A 5 5.027 -9.367 -7.722 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.315 -10.678 -8.877 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.240 -11.688 -7.741 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.601 -11.142 -7.315 1.00 0.00 H new ATOM 28 N LEU A 6 2.089 -8.466 -6.451 1.00 0.00 N ATOM 29 CA LEU A 6 1.081 -7.439 -6.451 1.00 0.00 C ATOM 30 C LEU A 6 1.726 -6.073 -6.215 1.00 0.00 C ATOM 31 O LEU A 6 1.450 -5.139 -6.974 1.00 0.00 O ATOM 32 CB LEU A 6 0.041 -7.798 -5.385 1.00 0.00 C ATOM 33 CG LEU A 6 -0.661 -9.151 -5.605 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.566 -9.449 -4.406 1.00 0.00 C ATOM 35 CD2 LEU A 6 -1.486 -9.196 -6.895 1.00 0.00 C ATOM 0 H LEU A 6 1.924 -9.207 -5.770 1.00 0.00 H new ATOM 0 HA LEU A 6 0.578 -7.377 -7.416 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.529 -7.811 -4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.714 -7.013 -5.354 1.00 0.00 H new ATOM 0 HG LEU A 6 0.118 -9.908 -5.702 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.066 -10.406 -4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.964 -9.492 -3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.313 -8.661 -4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.955 -10.175 -6.993 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.257 -8.426 -6.861 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.834 -9.019 -7.750 1.00 0.00 H new ATOM 36 N TYR A 7 2.634 -5.953 -5.230 1.00 0.00 N ATOM 37 CA TYR A 7 3.223 -4.652 -4.958 1.00 0.00 C ATOM 38 C TYR A 7 4.059 -4.076 -6.106 1.00 0.00 C ATOM 39 O TYR A 7 4.350 -2.877 -6.102 1.00 0.00 O ATOM 40 CB TYR A 7 4.018 -4.698 -3.649 1.00 0.00 C ATOM 41 CG TYR A 7 4.016 -3.365 -2.923 1.00 0.00 C ATOM 42 CD1 TYR A 7 2.784 -2.742 -2.660 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.205 -2.730 -2.516 1.00 0.00 C ATOM 44 CE1 TYR A 7 2.740 -1.432 -2.179 1.00 0.00 C ATOM 45 CE2 TYR A 7 5.144 -1.458 -1.915 1.00 0.00 C ATOM 46 CZ TYR A 7 3.930 -0.753 -1.892 1.00 0.00 C ATOM 47 OH TYR A 7 3.895 0.549 -1.498 1.00 0.00 O ATOM 0 H TYR A 7 2.959 -6.715 -4.635 1.00 0.00 H new ATOM 0 HA TYR A 7 2.389 -3.958 -4.854 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.596 -5.464 -2.998 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.046 -4.991 -3.862 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.864 -3.281 -2.831 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.158 -3.216 -2.664 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.789 -0.943 -2.029 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.029 -1.026 -1.473 1.00 0.00 H new ATOM 0 HH TYR A 7 3.059 0.723 -1.018 1.00 0.00 H new ATOM 48 N LYS A 8 4.433 -4.872 -7.114 1.00 0.00 N ATOM 49 CA LYS A 8 5.189 -4.316 -8.234 1.00 0.00 C ATOM 50 C LYS A 8 4.370 -3.217 -8.930 1.00 0.00 C ATOM 51 O LYS A 8 4.939 -2.294 -9.506 1.00 0.00 O ATOM 52 CB LYS A 8 5.628 -5.423 -9.198 1.00 0.00 C ATOM 53 CG LYS A 8 6.585 -6.428 -8.533 1.00 0.00 C ATOM 54 CD LYS A 8 7.911 -5.779 -8.097 1.00 0.00 C ATOM 55 CE LYS A 8 8.924 -6.802 -7.567 1.00 0.00 C ATOM 56 NZ LYS A 8 8.586 -7.251 -6.204 1.00 0.00 N ATOM 0 H LYS A 8 4.232 -5.870 -7.176 1.00 0.00 H new ATOM 0 HA LYS A 8 6.101 -3.853 -7.857 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.749 -5.951 -9.567 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.117 -4.976 -10.063 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.097 -6.869 -7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.793 -7.241 -9.228 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.346 -5.247 -8.943 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.711 -5.037 -7.324 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.956 -7.662 -8.236 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.921 -6.361 -7.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.222 -8.026 -5.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.696 -6.458 -5.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.602 -7.586 -6.183 1.00 0.00 H new ATOM 57 N SER A 9 3.038 -3.265 -8.810 1.00 0.00 N ATOM 58 CA SER A 9 2.136 -2.270 -9.377 1.00 0.00 C ATOM 59 C SER A 9 2.177 -0.936 -8.605 1.00 0.00 C ATOM 60 O SER A 9 1.493 0.011 -8.986 1.00 0.00 O ATOM 61 CB SER A 9 0.701 -2.825 -9.318 1.00 0.00 C ATOM 62 OG SER A 9 0.669 -4.231 -9.498 1.00 0.00 O ATOM 0 H SER A 9 2.555 -4.010 -8.308 1.00 0.00 H new ATOM 0 HA SER A 9 2.452 -2.074 -10.401 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.253 -2.572 -8.357 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.095 -2.347 -10.088 1.00 0.00 H new ATOM 0 HG SER A 9 0.774 -4.674 -8.630 1.00 0.00 H new ATOM 63 N CYS A 10 2.946 -0.869 -7.514 1.00 0.00 N ATOM 64 CA CYS A 10 3.047 0.236 -6.572 1.00 0.00 C ATOM 65 C CYS A 10 4.464 0.794 -6.506 1.00 0.00 C ATOM 66 O CYS A 10 4.663 1.998 -6.316 1.00 0.00 O ATOM 67 CB CYS A 10 2.643 -0.337 -5.213 1.00 0.00 C ATOM 68 SG CYS A 10 1.226 -1.483 -5.266 1.00 0.00 S ATOM 0 H CYS A 10 3.556 -1.644 -7.253 1.00 0.00 H new ATOM 0 HA CYS A 10 2.406 1.062 -6.879 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.499 -0.857 -4.783 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.402 0.488 -4.542 1.00 0.00 H new ATOM 69 N ILE A 11 5.443 -0.104 -6.666 1.00 0.00 N ATOM 70 CA ILE A 11 6.874 0.181 -6.692 1.00 0.00 C ATOM 71 C ILE A 11 7.164 1.434 -7.536 1.00 0.00 C ATOM 72 O ILE A 11 8.106 2.162 -7.241 1.00 0.00 O ATOM 73 CB ILE A 11 7.600 -1.096 -7.189 1.00 0.00 C ATOM 74 CG1 ILE A 11 8.325 -1.821 -6.044 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.650 -0.819 -8.270 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.422 -2.289 -4.902 1.00 0.00 C ATOM 0 H ILE A 11 5.244 -1.097 -6.786 1.00 0.00 H new ATOM 0 HA ILE A 11 7.252 0.419 -5.698 1.00 0.00 H new ATOM 0 HB ILE A 11 6.803 -1.712 -7.605 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.845 -2.687 -6.454 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.086 -1.155 -5.636 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.118 -1.756 -8.571 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.170 -0.359 -9.134 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.410 -0.144 -7.875 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.024 -2.789 -4.143 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.921 -1.429 -4.459 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.677 -2.984 -5.289 1.00 0.00 H new ATOM 77 N GLY A 12 6.366 1.705 -8.574 1.00 0.00 N ATOM 78 CA GLY A 12 6.518 2.888 -9.407 1.00 0.00 C ATOM 79 C GLY A 12 6.604 4.181 -8.581 1.00 0.00 C ATOM 80 O GLY A 12 7.469 5.012 -8.847 1.00 0.00 O ATOM 0 H GLY A 12 5.593 1.102 -8.856 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.418 2.788 -10.014 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.675 2.955 -10.095 1.00 0.00 H new ATOM 81 N CYS A 13 5.721 4.360 -7.588 1.00 0.00 N ATOM 82 CA CYS A 13 5.727 5.562 -6.746 1.00 0.00 C ATOM 83 C CYS A 13 6.589 5.346 -5.504 1.00 0.00 C ATOM 84 O CYS A 13 7.372 6.215 -5.130 1.00 0.00 O ATOM 85 CB CYS A 13 4.316 5.947 -6.265 1.00 0.00 C ATOM 86 SG CYS A 13 3.254 6.881 -7.401 1.00 0.00 S ATOM 0 H CYS A 13 4.993 3.686 -7.349 1.00 0.00 H new ATOM 0 HA CYS A 13 6.128 6.362 -7.368 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.793 5.029 -5.997 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.423 6.531 -5.351 1.00 0.00 H new ATOM 87 N HIS A 14 6.421 4.196 -4.848 1.00 0.00 N ATOM 88 CA HIS A 14 7.098 3.885 -3.592 1.00 0.00 C ATOM 89 C HIS A 14 8.582 3.524 -3.730 1.00 0.00 C ATOM 90 O HIS A 14 9.322 3.587 -2.748 1.00 0.00 O ATOM 91 CB HIS A 14 6.308 2.762 -2.917 1.00 0.00 C ATOM 92 CG HIS A 14 4.940 3.213 -2.487 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.743 3.843 -1.271 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.695 3.134 -3.064 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.441 4.148 -1.190 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.731 3.652 -2.204 1.00 0.00 N ATOM 0 H HIS A 14 5.807 3.451 -5.177 1.00 0.00 H new ATOM 0 HA HIS A 14 7.113 4.789 -2.984 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.213 1.922 -3.605 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.860 2.402 -2.049 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.456 4.039 -0.568 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.494 2.728 -4.044 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.012 4.733 -0.389 1.00 0.00 H new ATOM 97 N GLY A 15 9.048 3.173 -4.926 1.00 0.00 N ATOM 98 CA GLY A 15 10.428 2.779 -5.152 1.00 0.00 C ATOM 99 C GLY A 15 10.585 1.280 -4.916 1.00 0.00 C ATOM 100 O GLY A 15 9.788 0.678 -4.199 1.00 0.00 O ATOM 0 H GLY A 15 8.472 3.155 -5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.724 3.029 -6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.088 3.332 -4.483 1.00 0.00 H new ATOM 101 N ALA A 16 11.626 0.691 -5.518 1.00 0.00 N ATOM 102 CA ALA A 16 11.959 -0.731 -5.460 1.00 0.00 C ATOM 103 C ALA A 16 11.668 -1.359 -4.092 1.00 0.00 C ATOM 104 O ALA A 16 10.875 -2.291 -3.995 1.00 0.00 O ATOM 105 CB ALA A 16 13.437 -0.908 -5.827 1.00 0.00 C ATOM 0 H ALA A 16 12.288 1.221 -6.085 1.00 0.00 H new ATOM 0 HA ALA A 16 11.322 -1.253 -6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.698 -1.966 -5.787 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.610 -0.529 -6.834 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.056 -0.355 -5.121 1.00 0.00 H new ATOM 106 N ASP A 17 12.310 -0.845 -3.040 1.00 0.00 N ATOM 107 CA ASP A 17 12.195 -1.291 -1.673 1.00 0.00 C ATOM 108 C ASP A 17 11.259 -0.394 -0.861 1.00 0.00 C ATOM 109 O ASP A 17 11.488 -0.192 0.326 1.00 0.00 O ATOM 110 CB ASP A 17 13.598 -1.359 -1.047 1.00 0.00 C ATOM 111 CG ASP A 17 14.246 0.016 -0.894 1.00 0.00 C ATOM 112 OD1 ASP A 17 14.160 0.798 -1.869 1.00 0.00 O ATOM 113 OD2 ASP A 17 14.817 0.271 0.187 1.00 0.00 O ATOM 0 H ASP A 17 12.957 -0.063 -3.138 1.00 0.00 H new ATOM 0 HA ASP A 17 11.751 -2.286 -1.662 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.532 -1.835 -0.069 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.237 -1.990 -1.666 1.00 0.00 H new ATOM 114 N GLY A 18 10.222 0.162 -1.497 1.00 0.00 N ATOM 115 CA GLY A 18 9.216 1.022 -0.883 1.00 0.00 C ATOM 116 C GLY A 18 9.778 2.108 0.037 1.00 0.00 C ATOM 117 O GLY A 18 9.158 2.461 1.044 1.00 0.00 O ATOM 0 H GLY A 18 10.058 0.017 -2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.635 1.499 -1.672 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.527 0.401 -0.311 1.00 0.00 H new ATOM 118 N SER A 19 10.943 2.644 -0.324 1.00 0.00 N ATOM 119 CA SER A 19 11.685 3.641 0.422 1.00 0.00 C ATOM 120 C SER A 19 11.254 5.072 0.105 1.00 0.00 C ATOM 121 O SER A 19 11.383 5.950 0.957 1.00 0.00 O ATOM 122 CB SER A 19 13.156 3.443 0.049 1.00 0.00 C ATOM 123 OG SER A 19 13.253 3.266 -1.357 1.00 0.00 O ATOM 0 H SER A 19 11.412 2.376 -1.189 1.00 0.00 H new ATOM 0 HA SER A 19 11.500 3.509 1.488 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.744 4.306 0.362 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.563 2.575 0.567 1.00 0.00 H new ATOM 0 HG SER A 19 13.718 2.425 -1.550 1.00 0.00 H new ATOM 124 N LYS A 20 10.775 5.332 -1.113 1.00 0.00 N ATOM 125 CA LYS A 20 10.392 6.669 -1.510 1.00 0.00 C ATOM 126 C LYS A 20 9.115 7.095 -0.803 1.00 0.00 C ATOM 127 O LYS A 20 8.147 6.336 -0.708 1.00 0.00 O ATOM 128 CB LYS A 20 10.165 6.748 -3.024 1.00 0.00 C ATOM 129 CG LYS A 20 11.387 6.335 -3.851 1.00 0.00 C ATOM 130 CD LYS A 20 10.997 6.347 -5.334 1.00 0.00 C ATOM 131 CE LYS A 20 12.159 5.892 -6.222 1.00 0.00 C ATOM 132 NZ LYS A 20 11.738 5.792 -7.631 1.00 0.00 N ATOM 0 H LYS A 20 10.646 4.625 -1.837 1.00 0.00 H new ATOM 0 HA LYS A 20 11.207 7.337 -1.230 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.324 6.108 -3.290 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.886 7.768 -3.288 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.215 7.021 -3.672 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.726 5.342 -3.556 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.139 5.693 -5.491 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.689 7.352 -5.622 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.986 6.597 -6.135 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.527 4.925 -5.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.543 5.482 -8.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.965 5.102 -7.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.409 6.722 -7.962 1.00 0.00 H new ATOM 133 N ALA A 21 9.114 8.341 -0.331 1.00 0.00 N ATOM 134 CA ALA A 21 7.953 8.953 0.286 1.00 0.00 C ATOM 135 C ALA A 21 7.028 9.302 -0.877 1.00 0.00 C ATOM 136 O ALA A 21 6.976 10.443 -1.324 1.00 0.00 O ATOM 137 CB ALA A 21 8.376 10.183 1.096 1.00 0.00 C ATOM 0 H ALA A 21 9.929 8.953 -0.370 1.00 0.00 H new ATOM 0 HA ALA A 21 7.447 8.298 0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.497 10.636 1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.078 9.883 1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.854 10.907 0.436 1.00 0.00 H new ATOM 138 N ALA A 22 6.344 8.278 -1.391 1.00 0.00 N ATOM 139 CA ALA A 22 5.474 8.325 -2.551 1.00 0.00 C ATOM 140 C ALA A 22 4.743 9.651 -2.759 1.00 0.00 C ATOM 141 O ALA A 22 3.993 10.078 -1.883 1.00 0.00 O ATOM 142 CB ALA A 22 4.489 7.157 -2.499 1.00 0.00 C ATOM 0 H ALA A 22 6.390 7.345 -0.981 1.00 0.00 H new ATOM 0 HA ALA A 22 6.126 8.236 -3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.836 7.193 -3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.040 6.216 -2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.888 7.228 -1.592 1.00 0.00 H new ATOM 143 N MET A 23 4.988 10.240 -3.942 1.00 0.00 N ATOM 144 CA MET A 23 4.482 11.470 -4.554 1.00 0.00 C ATOM 145 C MET A 23 3.947 12.513 -3.576 1.00 0.00 C ATOM 146 O MET A 23 4.526 13.585 -3.426 1.00 0.00 O ATOM 147 CB MET A 23 3.402 11.089 -5.576 1.00 0.00 C ATOM 148 CG MET A 23 3.962 10.205 -6.695 1.00 0.00 C ATOM 149 SD MET A 23 5.176 10.988 -7.786 1.00 0.00 S ATOM 150 CE MET A 23 5.524 9.606 -8.894 1.00 0.00 C ATOM 0 H MET A 23 5.645 9.791 -4.581 1.00 0.00 H new ATOM 0 HA MET A 23 5.335 11.958 -5.027 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.592 10.564 -5.070 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.975 11.994 -6.008 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.422 9.327 -6.242 1.00 0.00 H new ATOM 0 HG3 MET A 23 3.130 9.851 -7.304 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.259 9.912 -9.638 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.918 8.768 -8.318 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.605 9.302 -9.396 1.00 0.00 H new ATOM 151 N GLY A 24 2.809 12.216 -2.952 1.00 0.00 N ATOM 152 CA GLY A 24 2.174 13.074 -1.972 1.00 0.00 C ATOM 153 C GLY A 24 3.111 13.437 -0.822 1.00 0.00 C ATOM 154 O GLY A 24 2.906 14.454 -0.161 1.00 0.00 O ATOM 0 H GLY A 24 2.296 11.351 -3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.831 13.987 -2.460 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.291 12.575 -1.574 1.00 0.00 H new ATOM 155 N SER A 25 4.106 12.580 -0.583 1.00 0.00 N ATOM 156 CA SER A 25 5.161 12.598 0.426 1.00 0.00 C ATOM 157 C SER A 25 4.798 11.517 1.437 1.00 0.00 C ATOM 158 O SER A 25 4.713 11.798 2.631 1.00 0.00 O ATOM 159 CB SER A 25 5.349 13.962 1.113 1.00 0.00 C ATOM 160 OG SER A 25 5.544 14.989 0.162 1.00 0.00 O ATOM 0 H SER A 25 4.200 11.751 -1.170 1.00 0.00 H new ATOM 0 HA SER A 25 6.121 12.409 -0.054 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.475 14.189 1.723 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.205 13.918 1.786 1.00 0.00 H new ATOM 0 HG SER A 25 4.676 15.285 -0.182 1.00 0.00 H new ATOM 161 N ALA A 26 4.565 10.281 0.975 1.00 0.00 N ATOM 162 CA ALA A 26 4.147 9.242 1.888 1.00 0.00 C ATOM 163 C ALA A 26 5.131 8.906 2.996 1.00 0.00 C ATOM 164 O ALA A 26 6.341 9.058 2.869 1.00 0.00 O ATOM 165 CB ALA A 26 3.894 7.966 1.083 1.00 0.00 C ATOM 0 H ALA A 26 4.659 9.994 0.001 1.00 0.00 H new ATOM 0 HA ALA A 26 3.257 9.630 2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.577 7.169 1.755 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.113 8.150 0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.811 7.669 0.574 1.00 0.00 H new ATOM 166 N LYS A 27 4.580 8.413 4.101 1.00 0.00 N ATOM 167 CA LYS A 27 5.381 7.886 5.187 1.00 0.00 C ATOM 168 C LYS A 27 6.066 6.673 4.538 1.00 0.00 C ATOM 169 O LYS A 27 5.370 5.945 3.822 1.00 0.00 O ATOM 170 CB LYS A 27 4.464 7.463 6.339 1.00 0.00 C ATOM 171 CG LYS A 27 3.674 8.634 6.936 1.00 0.00 C ATOM 172 CD LYS A 27 2.657 8.169 7.991 1.00 0.00 C ATOM 173 CE LYS A 27 1.532 7.294 7.410 1.00 0.00 C ATOM 174 NZ LYS A 27 1.819 5.849 7.505 1.00 0.00 N ATOM 0 H LYS A 27 3.574 8.370 4.263 1.00 0.00 H new ATOM 0 HA LYS A 27 6.093 8.594 5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.766 6.706 5.982 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.064 6.999 7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.366 9.344 7.389 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.152 9.162 6.138 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.179 7.609 8.767 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.217 9.043 8.471 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.602 7.510 7.937 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.375 7.560 6.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.278 5.339 6.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.836 5.687 7.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.546 5.502 8.447 1.00 0.00 H new ATOM 175 N PRO A 28 7.382 6.462 4.707 1.00 0.00 N ATOM 176 CA PRO A 28 8.089 5.366 4.059 1.00 0.00 C ATOM 177 C PRO A 28 7.348 4.049 4.255 1.00 0.00 C ATOM 178 O PRO A 28 7.237 3.549 5.372 1.00 0.00 O ATOM 179 CB PRO A 28 9.500 5.349 4.646 1.00 0.00 C ATOM 180 CG PRO A 28 9.379 6.163 5.936 1.00 0.00 C ATOM 181 CD PRO A 28 8.254 7.155 5.636 1.00 0.00 C ATOM 0 HA PRO A 28 8.144 5.505 2.979 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.836 4.332 4.847 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.222 5.793 3.961 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.136 5.528 6.788 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.311 6.675 6.175 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.721 7.434 6.545 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.644 8.075 5.200 1.00 0.00 H new ATOM 182 N VAL A 29 6.837 3.492 3.154 1.00 0.00 N ATOM 183 CA VAL A 29 6.073 2.260 3.217 1.00 0.00 C ATOM 184 C VAL A 29 6.960 1.121 3.733 1.00 0.00 C ATOM 185 O VAL A 29 6.446 0.215 4.385 1.00 0.00 O ATOM 186 CB VAL A 29 5.407 1.949 1.863 1.00 0.00 C ATOM 187 CG1 VAL A 29 4.902 0.508 1.794 1.00 0.00 C ATOM 188 CG2 VAL A 29 4.143 2.801 1.684 1.00 0.00 C ATOM 0 H VAL A 29 6.942 3.878 2.216 1.00 0.00 H new ATOM 0 HA VAL A 29 5.256 2.376 3.929 1.00 0.00 H new ATOM 0 HB VAL A 29 6.168 2.145 1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.439 0.331 0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.739 -0.178 1.928 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.167 0.342 2.582 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.682 2.571 0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.439 2.580 2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.409 3.858 1.715 1.00 0.00 H new ATOM 189 N LYS A 30 8.265 1.148 3.437 1.00 0.00 N ATOM 190 CA LYS A 30 9.253 0.156 3.845 1.00 0.00 C ATOM 191 C LYS A 30 9.205 -0.263 5.307 1.00 0.00 C ATOM 192 O LYS A 30 9.930 0.214 6.177 1.00 0.00 O ATOM 193 CB LYS A 30 10.641 0.641 3.469 1.00 0.00 C ATOM 194 CG LYS A 30 11.726 -0.432 3.640 1.00 0.00 C ATOM 195 CD LYS A 30 13.093 0.112 3.211 1.00 0.00 C ATOM 196 CE LYS A 30 14.131 -1.012 3.114 1.00 0.00 C ATOM 197 NZ LYS A 30 14.315 -1.713 4.396 1.00 0.00 N ATOM 0 H LYS A 30 8.674 1.899 2.881 1.00 0.00 H new ATOM 0 HA LYS A 30 8.995 -0.753 3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.632 0.977 2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.895 1.506 4.082 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.767 -0.754 4.681 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.474 -1.310 3.045 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.002 0.611 2.246 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.430 0.861 3.927 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.819 -1.727 2.353 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.085 -0.596 2.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.118 -2.370 4.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.505 -1.019 5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.452 -2.246 4.627 1.00 0.00 H new ATOM 198 N GLY A 31 8.349 -1.246 5.499 1.00 0.00 N ATOM 199 CA GLY A 31 8.093 -1.953 6.722 1.00 0.00 C ATOM 200 C GLY A 31 7.170 -1.196 7.647 1.00 0.00 C ATOM 201 O GLY A 31 7.247 -1.433 8.853 1.00 0.00 O ATOM 0 H GLY A 31 7.770 -1.594 4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.654 -2.924 6.491 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.037 -2.143 7.232 1.00 0.00 H new ATOM 202 N GLN A 32 6.308 -0.295 7.138 1.00 0.00 N ATOM 203 CA GLN A 32 5.438 0.394 8.056 1.00 0.00 C ATOM 204 C GLN A 32 4.322 -0.548 8.498 1.00 0.00 C ATOM 205 O GLN A 32 3.281 -0.679 7.882 1.00 0.00 O ATOM 206 CB GLN A 32 4.998 1.790 7.634 1.00 0.00 C ATOM 207 CG GLN A 32 4.012 2.116 6.481 1.00 0.00 C ATOM 208 CD GLN A 32 4.047 3.624 6.109 1.00 0.00 C ATOM 209 OE1 GLN A 32 4.555 4.425 6.887 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.537 4.071 4.948 1.00 0.00 N ATOM 0 H GLN A 32 6.210 -0.050 6.153 1.00 0.00 H new ATOM 0 HA GLN A 32 6.026 0.647 8.938 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.573 2.249 8.526 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.915 2.332 7.402 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.265 1.518 5.605 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.001 1.837 6.776 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.112 3.416 4.292 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.575 5.065 4.723 1.00 0.00 H new ATOM 211 N GLY A 33 4.542 -1.147 9.654 1.00 0.00 N ATOM 212 CA GLY A 33 3.715 -2.181 10.261 1.00 0.00 C ATOM 213 C GLY A 33 3.486 -3.356 9.284 1.00 0.00 C ATOM 214 O GLY A 33 4.364 -3.730 8.508 1.00 0.00 O ATOM 0 H GLY A 33 5.350 -0.913 10.231 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.194 -2.547 11.169 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.755 -1.757 10.556 1.00 0.00 H new ATOM 215 N ALA A 34 2.291 -3.949 9.364 1.00 0.00 N ATOM 216 CA ALA A 34 1.717 -5.029 8.551 1.00 0.00 C ATOM 217 C ALA A 34 0.223 -4.817 8.741 1.00 0.00 C ATOM 218 O ALA A 34 -0.503 -4.465 7.815 1.00 0.00 O ATOM 219 CB ALA A 34 2.147 -6.436 8.975 1.00 0.00 C ATOM 0 H ALA A 34 1.628 -3.651 10.079 1.00 0.00 H new ATOM 0 HA ALA A 34 2.054 -4.981 7.515 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.678 -7.172 8.322 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.231 -6.523 8.900 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.839 -6.616 10.005 1.00 0.00 H new ATOM 220 N GLU A 35 -0.199 -4.936 10.004 1.00 0.00 N ATOM 221 CA GLU A 35 -1.562 -4.657 10.412 1.00 0.00 C ATOM 222 C GLU A 35 -1.860 -3.207 10.008 1.00 0.00 C ATOM 223 O GLU A 35 -2.958 -2.914 9.551 1.00 0.00 O ATOM 224 CB GLU A 35 -1.689 -4.902 11.925 1.00 0.00 C ATOM 225 CG GLU A 35 -3.130 -4.790 12.452 1.00 0.00 C ATOM 226 CD GLU A 35 -3.643 -3.355 12.581 1.00 0.00 C ATOM 227 OE1 GLU A 35 -2.807 -2.468 12.860 1.00 0.00 O ATOM 228 OE2 GLU A 35 -4.868 -3.176 12.413 1.00 0.00 O ATOM 0 H GLU A 35 0.407 -5.231 10.770 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.291 -5.309 9.930 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.303 -5.895 12.157 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.062 -4.185 12.454 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.792 -5.342 11.785 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.186 -5.273 13.428 1.00 0.00 H new ATOM 229 N GLU A 36 -0.861 -2.317 10.129 1.00 0.00 N ATOM 230 CA GLU A 36 -0.993 -0.923 9.759 1.00 0.00 C ATOM 231 C GLU A 36 -1.343 -0.852 8.272 1.00 0.00 C ATOM 232 O GLU A 36 -2.448 -0.447 7.924 1.00 0.00 O ATOM 233 CB GLU A 36 0.306 -0.152 10.083 1.00 0.00 C ATOM 234 CG GLU A 36 0.049 1.361 10.145 1.00 0.00 C ATOM 235 CD GLU A 36 -0.863 1.743 11.311 1.00 0.00 C ATOM 236 OE1 GLU A 36 -0.374 1.674 12.458 1.00 0.00 O ATOM 237 OE2 GLU A 36 -2.035 2.083 11.036 1.00 0.00 O ATOM 0 H GLU A 36 0.062 -2.560 10.490 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.790 -0.450 10.334 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.708 -0.495 11.036 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.059 -0.366 9.324 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.999 1.886 10.242 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.403 1.690 9.209 1.00 0.00 H new ATOM 238 N LEU A 37 -0.437 -1.286 7.387 1.00 0.00 N ATOM 239 CA LEU A 37 -0.702 -1.232 5.961 1.00 0.00 C ATOM 240 C LEU A 37 -2.033 -1.889 5.599 1.00 0.00 C ATOM 241 O LEU A 37 -2.742 -1.392 4.730 1.00 0.00 O ATOM 242 CB LEU A 37 0.420 -1.886 5.151 1.00 0.00 C ATOM 243 CG LEU A 37 1.831 -1.400 5.497 1.00 0.00 C ATOM 244 CD1 LEU A 37 2.683 -2.600 5.915 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.586 -0.701 4.378 1.00 0.00 C ATOM 0 H LEU A 37 0.473 -1.673 7.638 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.755 -0.174 5.705 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.376 -2.965 5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.238 -1.704 4.092 1.00 0.00 H new ATOM 0 HG LEU A 37 1.679 -0.664 6.287 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.689 -2.263 6.163 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.235 -3.078 6.786 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.732 -3.315 5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.571 -0.401 4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.698 -1.382 3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.031 0.182 4.061 1.00 0.00 H new ATOM 246 N TYR A 38 -2.384 -2.998 6.251 1.00 0.00 N ATOM 247 CA TYR A 38 -3.629 -3.691 5.980 1.00 0.00 C ATOM 248 C TYR A 38 -4.827 -2.845 6.378 1.00 0.00 C ATOM 249 O TYR A 38 -5.802 -2.760 5.640 1.00 0.00 O ATOM 250 CB TYR A 38 -3.630 -4.985 6.777 1.00 0.00 C ATOM 251 CG TYR A 38 -4.963 -5.704 6.790 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.495 -6.240 5.602 1.00 0.00 C ATOM 253 CD2 TYR A 38 -5.759 -5.647 7.950 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.799 -6.767 5.591 1.00 0.00 C ATOM 255 CE2 TYR A 38 -7.070 -6.148 7.929 1.00 0.00 C ATOM 256 CZ TYR A 38 -7.589 -6.710 6.753 1.00 0.00 C ATOM 257 OH TYR A 38 -8.868 -7.178 6.758 1.00 0.00 O ATOM 0 H TYR A 38 -1.813 -3.433 6.976 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.705 -3.892 4.911 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.873 -5.653 6.365 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.337 -4.766 7.804 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.902 -6.247 4.699 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.360 -5.217 8.857 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.193 -7.215 4.691 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.680 -6.101 8.819 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.070 -7.589 5.891 1.00 0.00 H new ATOM 258 N LYS A 39 -4.757 -2.245 7.561 1.00 0.00 N ATOM 259 CA LYS A 39 -5.818 -1.412 8.102 1.00 0.00 C ATOM 260 C LYS A 39 -6.029 -0.231 7.164 1.00 0.00 C ATOM 261 O LYS A 39 -7.154 0.129 6.815 1.00 0.00 O ATOM 262 CB LYS A 39 -5.392 -0.934 9.498 1.00 0.00 C ATOM 263 CG LYS A 39 -6.412 -0.050 10.230 1.00 0.00 C ATOM 264 CD LYS A 39 -5.695 0.908 11.195 1.00 0.00 C ATOM 265 CE LYS A 39 -4.825 0.170 12.220 1.00 0.00 C ATOM 266 NZ LYS A 39 -4.058 1.113 13.052 1.00 0.00 N ATOM 0 H LYS A 39 -3.949 -2.326 8.178 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.753 -1.965 8.187 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.185 -1.808 10.115 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.458 -0.381 9.405 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.994 0.521 9.506 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.114 -0.675 10.782 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.072 1.595 10.623 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.436 1.511 11.720 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.457 -0.449 12.857 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.140 -0.501 11.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.628 0.602 13.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.310 1.553 12.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.694 1.851 13.416 1.00 0.00 H new ATOM 267 N LYS A 40 -4.917 0.363 6.741 1.00 0.00 N ATOM 268 CA LYS A 40 -4.926 1.515 5.885 1.00 0.00 C ATOM 269 C LYS A 40 -5.486 1.141 4.510 1.00 0.00 C ATOM 270 O LYS A 40 -6.383 1.813 3.999 1.00 0.00 O ATOM 271 CB LYS A 40 -3.493 2.024 5.846 1.00 0.00 C ATOM 272 CG LYS A 40 -2.986 2.629 7.171 1.00 0.00 C ATOM 273 CD LYS A 40 -3.878 3.747 7.722 1.00 0.00 C ATOM 274 CE LYS A 40 -3.103 4.694 8.644 1.00 0.00 C ATOM 275 NZ LYS A 40 -2.216 5.594 7.881 1.00 0.00 N ATOM 0 H LYS A 40 -3.981 0.045 6.993 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.576 2.310 6.250 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.837 1.200 5.564 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.411 2.778 5.063 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.910 1.837 7.916 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.980 3.021 7.019 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.303 4.314 6.894 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.712 3.309 8.270 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.805 5.286 9.231 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.511 4.111 9.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.759 6.265 8.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.488 5.033 7.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.775 6.119 7.179 1.00 0.00 H new ATOM 276 N MET A 41 -4.990 0.056 3.911 1.00 0.00 N ATOM 277 CA MET A 41 -5.494 -0.389 2.628 1.00 0.00 C ATOM 278 C MET A 41 -6.960 -0.762 2.751 1.00 0.00 C ATOM 279 O MET A 41 -7.705 -0.480 1.827 1.00 0.00 O ATOM 280 CB MET A 41 -4.706 -1.576 2.091 1.00 0.00 C ATOM 281 CG MET A 41 -3.410 -1.106 1.438 1.00 0.00 C ATOM 282 SD MET A 41 -2.522 -2.393 0.529 1.00 0.00 S ATOM 283 CE MET A 41 -2.106 -3.475 1.907 1.00 0.00 C ATOM 0 H MET A 41 -4.244 -0.522 4.298 1.00 0.00 H new ATOM 0 HA MET A 41 -5.379 0.435 1.924 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.481 -2.268 2.903 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.309 -2.122 1.365 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.637 -0.287 0.755 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.753 -0.704 2.210 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.389 -4.227 1.576 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.668 -2.886 2.713 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.009 -3.968 2.268 1.00 0.00 H new ATOM 284 N LYS A 42 -7.393 -1.404 3.838 1.00 0.00 N ATOM 285 CA LYS A 42 -8.801 -1.728 4.012 1.00 0.00 C ATOM 286 C LYS A 42 -9.579 -0.411 3.972 1.00 0.00 C ATOM 287 O LYS A 42 -10.593 -0.303 3.287 1.00 0.00 O ATOM 288 CB LYS A 42 -9.012 -2.508 5.317 1.00 0.00 C ATOM 289 CG LYS A 42 -10.491 -2.865 5.503 1.00 0.00 C ATOM 290 CD LYS A 42 -10.669 -3.867 6.649 1.00 0.00 C ATOM 291 CE LYS A 42 -12.151 -4.056 6.999 1.00 0.00 C ATOM 292 NZ LYS A 42 -12.955 -4.440 5.825 1.00 0.00 N ATOM 0 H LYS A 42 -6.790 -1.706 4.603 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.164 -2.378 3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.412 -3.418 5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.668 -1.912 6.162 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.064 -1.962 5.711 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.887 -3.288 4.580 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.235 -4.826 6.367 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.127 -3.518 7.528 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.246 -4.822 7.769 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.544 -3.131 7.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.878 -4.801 6.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.097 -3.610 5.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.458 -5.181 5.291 1.00 0.00 H new ATOM 293 N GLY A 43 -9.074 0.603 4.682 1.00 0.00 N ATOM 294 CA GLY A 43 -9.662 1.924 4.695 1.00 0.00 C ATOM 295 C GLY A 43 -9.822 2.463 3.268 1.00 0.00 C ATOM 296 O GLY A 43 -10.927 2.854 2.893 1.00 0.00 O ATOM 0 H GLY A 43 -8.240 0.518 5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.634 1.889 5.187 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.035 2.600 5.276 1.00 0.00 H new ATOM 297 N TYR A 44 -8.740 2.494 2.476 1.00 0.00 N ATOM 298 CA TYR A 44 -8.807 2.988 1.101 1.00 0.00 C ATOM 299 C TYR A 44 -9.764 2.111 0.275 1.00 0.00 C ATOM 300 O TYR A 44 -10.688 2.620 -0.353 1.00 0.00 O ATOM 301 CB TYR A 44 -7.404 3.011 0.463 1.00 0.00 C ATOM 302 CG TYR A 44 -6.379 3.984 1.032 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.684 5.348 1.210 1.00 0.00 C ATOM 304 CD2 TYR A 44 -5.045 3.562 1.204 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.732 6.200 1.792 1.00 0.00 C ATOM 306 CE2 TYR A 44 -4.069 4.448 1.684 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.420 5.761 2.012 1.00 0.00 C ATOM 308 OH TYR A 44 -3.528 6.568 2.648 1.00 0.00 O ATOM 0 H TYR A 44 -7.813 2.183 2.767 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.189 4.009 1.113 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.987 2.006 0.535 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.522 3.232 -0.598 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.644 5.735 0.901 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.771 2.545 0.964 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.014 7.204 2.073 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.048 4.116 1.800 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.963 6.029 3.240 1.00 0.00 H new ATOM 309 N ALA A 45 -9.552 0.792 0.292 1.00 0.00 N ATOM 310 CA ALA A 45 -10.318 -0.235 -0.409 1.00 0.00 C ATOM 311 C ALA A 45 -11.821 -0.002 -0.240 1.00 0.00 C ATOM 312 O ALA A 45 -12.559 0.081 -1.218 1.00 0.00 O ATOM 313 CB ALA A 45 -9.969 -1.623 0.136 1.00 0.00 C ATOM 0 H ALA A 45 -8.788 0.389 0.834 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.061 -0.178 -1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.547 -2.379 -0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.905 -1.813 -0.007 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.206 -1.667 1.199 1.00 0.00 H new ATOM 314 N ASP A 46 -12.257 0.120 1.018 1.00 0.00 N ATOM 315 CA ASP A 46 -13.656 0.306 1.384 1.00 0.00 C ATOM 316 C ASP A 46 -14.090 1.776 1.315 1.00 0.00 C ATOM 317 O ASP A 46 -15.204 2.093 1.724 1.00 0.00 O ATOM 318 CB ASP A 46 -13.879 -0.232 2.809 1.00 0.00 C ATOM 319 CG ASP A 46 -13.542 -1.713 2.983 1.00 0.00 C ATOM 320 OD1 ASP A 46 -13.566 -2.445 1.970 1.00 0.00 O ATOM 321 OD2 ASP A 46 -13.279 -2.097 4.144 1.00 0.00 O ATOM 0 H ASP A 46 -11.631 0.091 1.823 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.263 -0.243 0.665 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -13.273 0.350 3.503 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.921 -0.074 3.085 1.00 0.00 H new ATOM 322 N GLY A 47 -13.234 2.685 0.836 1.00 0.00 N ATOM 323 CA GLY A 47 -13.541 4.107 0.742 1.00 0.00 C ATOM 324 C GLY A 47 -13.927 4.702 2.099 1.00 0.00 C ATOM 325 O GLY A 47 -14.721 5.637 2.161 1.00 0.00 O ATOM 0 H GLY A 47 -12.301 2.447 0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.676 4.639 0.346 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.358 4.256 0.036 1.00 0.00 H new ATOM 326 N SER A 48 -13.344 4.176 3.181 1.00 0.00 N ATOM 327 CA SER A 48 -13.594 4.601 4.552 1.00 0.00 C ATOM 328 C SER A 48 -12.398 5.370 5.125 1.00 0.00 C ATOM 329 O SER A 48 -12.345 5.602 6.332 1.00 0.00 O ATOM 330 CB SER A 48 -13.890 3.352 5.390 1.00 0.00 C ATOM 331 OG SER A 48 -14.304 3.716 6.692 1.00 0.00 O ATOM 0 H SER A 48 -12.664 3.418 3.119 1.00 0.00 H new ATOM 0 HA SER A 48 -14.446 5.280 4.575 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.667 2.759 4.908 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.000 2.726 5.447 1.00 0.00 H new ATOM 0 HG SER A 48 -13.795 4.499 6.990 1.00 0.00 H new ATOM 332 N TYR A 49 -11.433 5.738 4.282 1.00 0.00 N ATOM 333 CA TYR A 49 -10.228 6.462 4.642 1.00 0.00 C ATOM 334 C TYR A 49 -9.674 7.039 3.349 1.00 0.00 C ATOM 335 O TYR A 49 -9.634 6.330 2.347 1.00 0.00 O ATOM 336 CB TYR A 49 -9.215 5.480 5.244 1.00 0.00 C ATOM 337 CG TYR A 49 -7.767 5.938 5.335 1.00 0.00 C ATOM 338 CD1 TYR A 49 -7.414 7.133 5.990 1.00 0.00 C ATOM 339 CD2 TYR A 49 -6.757 5.120 4.796 1.00 0.00 C ATOM 340 CE1 TYR A 49 -6.060 7.508 6.090 1.00 0.00 C ATOM 341 CE2 TYR A 49 -5.407 5.475 4.935 1.00 0.00 C ATOM 342 CZ TYR A 49 -5.054 6.681 5.560 1.00 0.00 C ATOM 343 OH TYR A 49 -3.740 7.004 5.731 1.00 0.00 O ATOM 0 H TYR A 49 -11.479 5.527 3.285 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.429 7.247 5.371 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.551 5.223 6.249 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.242 4.564 4.654 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.181 7.762 6.416 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.023 4.214 4.272 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.793 8.435 6.576 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.636 4.818 4.560 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.180 6.370 5.236 1.00 0.00 H new ATOM 344 N GLY A 50 -9.282 8.312 3.349 1.00 0.00 N ATOM 345 CA GLY A 50 -8.691 8.927 2.183 1.00 0.00 C ATOM 346 C GLY A 50 -8.655 10.439 2.288 1.00 0.00 C ATOM 347 O GLY A 50 -8.968 11.030 3.318 1.00 0.00 O ATOM 0 H GLY A 50 -9.368 8.933 4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.677 8.550 2.050 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.257 8.640 1.297 1.00 0.00 H new ATOM 348 N GLY A 51 -8.211 11.016 1.182 1.00 0.00 N ATOM 349 CA GLY A 51 -7.956 12.379 0.866 1.00 0.00 C ATOM 350 C GLY A 51 -7.523 12.476 -0.590 1.00 0.00 C ATOM 351 O GLY A 51 -7.605 11.510 -1.343 1.00 0.00 O ATOM 0 H GLY A 51 -7.995 10.431 0.375 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.851 12.978 1.034 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.179 12.778 1.518 1.00 0.00 H new ATOM 352 N GLU A 52 -7.035 13.655 -0.946 1.00 0.00 N ATOM 353 CA GLU A 52 -6.568 14.036 -2.270 1.00 0.00 C ATOM 354 C GLU A 52 -5.524 13.068 -2.849 1.00 0.00 C ATOM 355 O GLU A 52 -5.754 12.460 -3.891 1.00 0.00 O ATOM 356 CB GLU A 52 -6.065 15.494 -2.207 1.00 0.00 C ATOM 357 CG GLU A 52 -4.827 15.790 -1.333 1.00 0.00 C ATOM 358 CD GLU A 52 -4.897 15.195 0.074 1.00 0.00 C ATOM 359 OE1 GLU A 52 -5.764 15.664 0.842 1.00 0.00 O ATOM 360 OE2 GLU A 52 -4.156 14.216 0.324 1.00 0.00 O ATOM 0 H GLU A 52 -6.949 14.419 -0.275 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.401 13.972 -2.970 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.842 15.816 -3.224 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.885 16.116 -1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.940 15.403 -1.835 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.702 16.870 -1.253 1.00 0.00 H new ATOM 361 N ARG A 53 -4.381 12.897 -2.182 1.00 0.00 N ATOM 362 CA ARG A 53 -3.310 12.027 -2.674 1.00 0.00 C ATOM 363 C ARG A 53 -3.786 10.576 -2.561 1.00 0.00 C ATOM 364 O ARG A 53 -3.653 9.776 -3.486 1.00 0.00 O ATOM 365 CB ARG A 53 -2.015 12.335 -1.906 1.00 0.00 C ATOM 366 CG ARG A 53 -1.447 13.724 -2.290 1.00 0.00 C ATOM 367 CD ARG A 53 -1.174 14.740 -1.160 1.00 0.00 C ATOM 368 NE ARG A 53 -0.086 14.355 -0.251 1.00 0.00 N ATOM 369 CZ ARG A 53 -0.199 13.556 0.819 1.00 0.00 C ATOM 370 NH1 ARG A 53 -1.388 13.142 1.258 1.00 0.00 N ATOM 371 NH2 ARG A 53 0.904 13.142 1.445 1.00 0.00 N ATOM 0 H ARG A 53 -4.172 13.353 -1.294 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.080 12.204 -3.725 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.210 12.304 -0.834 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.273 11.565 -2.118 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.512 13.564 -2.827 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.142 14.185 -2.991 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.935 15.706 -1.605 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.087 14.874 -0.579 1.00 0.00 H new ATOM 0 HE ARG A 53 0.841 14.730 -0.453 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.239 13.433 0.777 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.447 12.534 2.075 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.822 13.434 1.108 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.830 12.534 2.260 1.00 0.00 H new ATOM 372 N LYS A 54 -4.437 10.282 -1.438 1.00 0.00 N ATOM 373 CA LYS A 54 -5.072 9.051 -1.055 1.00 0.00 C ATOM 374 C LYS A 54 -6.111 8.589 -2.100 1.00 0.00 C ATOM 375 O LYS A 54 -6.549 7.437 -2.062 1.00 0.00 O ATOM 376 CB LYS A 54 -5.654 9.350 0.317 1.00 0.00 C ATOM 377 CG LYS A 54 -4.569 9.541 1.392 1.00 0.00 C ATOM 378 CD LYS A 54 -5.133 9.900 2.778 1.00 0.00 C ATOM 379 CE LYS A 54 -4.017 10.121 3.806 1.00 0.00 C ATOM 380 NZ LYS A 54 -3.201 11.306 3.491 1.00 0.00 N ATOM 0 H LYS A 54 -4.535 10.984 -0.705 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.385 8.206 -1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.266 10.250 0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.314 8.535 0.613 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.984 8.625 1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.886 10.328 1.072 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.740 10.802 2.701 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.791 9.101 3.121 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.455 10.236 4.797 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.377 9.239 3.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.491 11.447 4.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.721 11.164 2.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.814 12.144 3.433 1.00 0.00 H new ATOM 381 N ALA A 55 -6.512 9.453 -3.044 1.00 0.00 N ATOM 382 CA ALA A 55 -7.435 9.080 -4.103 1.00 0.00 C ATOM 383 C ALA A 55 -6.700 8.139 -5.057 1.00 0.00 C ATOM 384 O ALA A 55 -7.268 7.149 -5.518 1.00 0.00 O ATOM 385 CB ALA A 55 -7.927 10.329 -4.839 1.00 0.00 C ATOM 0 H ALA A 55 -6.202 10.424 -3.087 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.309 8.577 -3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.618 10.037 -5.630 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.437 10.988 -4.137 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.077 10.853 -5.275 1.00 0.00 H new ATOM 386 N MET A 56 -5.422 8.434 -5.333 1.00 0.00 N ATOM 387 CA MET A 56 -4.594 7.602 -6.195 1.00 0.00 C ATOM 388 C MET A 56 -4.493 6.224 -5.543 1.00 0.00 C ATOM 389 O MET A 56 -4.625 5.195 -6.203 1.00 0.00 O ATOM 390 CB MET A 56 -3.205 8.231 -6.378 1.00 0.00 C ATOM 391 CG MET A 56 -3.263 9.671 -6.908 1.00 0.00 C ATOM 392 SD MET A 56 -4.169 9.901 -8.459 1.00 0.00 S ATOM 393 CE MET A 56 -4.035 11.694 -8.625 1.00 0.00 C ATOM 0 H MET A 56 -4.942 9.254 -4.963 1.00 0.00 H new ATOM 0 HA MET A 56 -5.037 7.515 -7.187 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.680 8.222 -5.423 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.623 7.619 -7.067 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.720 10.301 -6.145 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.243 10.028 -7.048 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.542 12.014 -9.535 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.498 12.175 -7.763 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.984 11.977 -8.677 1.00 0.00 H new ATOM 394 N MET A 57 -4.286 6.226 -4.224 1.00 0.00 N ATOM 395 CA MET A 57 -4.213 5.015 -3.433 1.00 0.00 C ATOM 396 C MET A 57 -5.508 4.231 -3.610 1.00 0.00 C ATOM 397 O MET A 57 -5.477 3.116 -4.113 1.00 0.00 O ATOM 398 CB MET A 57 -3.946 5.380 -1.966 1.00 0.00 C ATOM 399 CG MET A 57 -2.445 5.392 -1.668 1.00 0.00 C ATOM 400 SD MET A 57 -1.602 3.843 -2.066 1.00 0.00 S ATOM 401 CE MET A 57 -2.551 2.631 -1.117 1.00 0.00 C ATOM 0 H MET A 57 -4.165 7.080 -3.679 1.00 0.00 H new ATOM 0 HA MET A 57 -3.391 4.381 -3.765 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.371 6.360 -1.748 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.444 4.664 -1.313 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.980 6.201 -2.231 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.297 5.613 -0.611 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.427 1.643 -1.561 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.193 2.614 -0.088 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.606 2.905 -1.129 1.00 0.00 H new ATOM 402 N THR A 58 -6.646 4.809 -3.224 1.00 0.00 N ATOM 403 CA THR A 58 -7.969 4.219 -3.382 1.00 0.00 C ATOM 404 C THR A 58 -8.100 3.609 -4.779 1.00 0.00 C ATOM 405 O THR A 58 -8.491 2.452 -4.912 1.00 0.00 O ATOM 406 CB THR A 58 -9.027 5.303 -3.122 1.00 0.00 C ATOM 407 OG1 THR A 58 -8.823 5.855 -1.835 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.446 4.731 -3.187 1.00 0.00 C ATOM 0 H THR A 58 -6.670 5.727 -2.780 1.00 0.00 H new ATOM 0 HA THR A 58 -8.120 3.414 -2.663 1.00 0.00 H new ATOM 0 HB THR A 58 -8.923 6.065 -3.894 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.119 6.535 -1.879 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.168 5.526 -2.998 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.623 4.308 -4.176 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.559 3.952 -2.433 1.00 0.00 H new ATOM 409 N ASN A 59 -7.728 4.365 -5.816 1.00 0.00 N ATOM 410 CA ASN A 59 -7.788 3.886 -7.192 1.00 0.00 C ATOM 411 C ASN A 59 -6.907 2.645 -7.392 1.00 0.00 C ATOM 412 O ASN A 59 -7.332 1.688 -8.036 1.00 0.00 O ATOM 413 CB ASN A 59 -7.388 5.004 -8.159 1.00 0.00 C ATOM 414 CG ASN A 59 -7.281 4.472 -9.585 1.00 0.00 C ATOM 415 OD1 ASN A 59 -8.283 4.319 -10.276 1.00 0.00 O ATOM 416 ND2 ASN A 59 -6.067 4.172 -10.037 1.00 0.00 N ATOM 0 H ASN A 59 -7.380 5.319 -5.722 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.816 3.593 -7.405 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.125 5.806 -8.119 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.433 5.432 -7.853 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.951 3.804 -10.981 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.252 4.310 -9.440 1.00 0.00 H new ATOM 417 N ALA A 60 -5.684 2.651 -6.854 1.00 0.00 N ATOM 418 CA ALA A 60 -4.757 1.533 -6.979 1.00 0.00 C ATOM 419 C ALA A 60 -5.218 0.316 -6.169 1.00 0.00 C ATOM 420 O ALA A 60 -4.965 -0.821 -6.554 1.00 0.00 O ATOM 421 CB ALA A 60 -3.375 1.979 -6.483 1.00 0.00 C ATOM 0 H ALA A 60 -5.312 3.436 -6.319 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.717 1.238 -8.028 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.672 1.151 -6.571 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.025 2.818 -7.085 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.445 2.286 -5.439 1.00 0.00 H new ATOM 422 N VAL A 61 -5.887 0.561 -5.044 1.00 0.00 N ATOM 423 CA VAL A 61 -6.338 -0.436 -4.088 1.00 0.00 C ATOM 424 C VAL A 61 -7.677 -1.093 -4.442 1.00 0.00 C ATOM 425 O VAL A 61 -7.808 -2.298 -4.236 1.00 0.00 O ATOM 426 CB VAL A 61 -6.374 0.259 -2.713 1.00 0.00 C ATOM 427 CG1 VAL A 61 -6.965 -0.608 -1.613 1.00 0.00 C ATOM 428 CG2 VAL A 61 -4.970 0.612 -2.215 1.00 0.00 C ATOM 0 H VAL A 61 -6.139 1.509 -4.765 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.643 -1.276 -4.092 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.990 1.141 -2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.960 -0.057 -0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.990 -0.875 -1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.370 -1.515 -1.505 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.041 1.100 -1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.377 -0.298 -2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.491 1.286 -2.925 1.00 0.00 H new ATOM 429 N LYS A 62 -8.667 -0.359 -4.967 1.00 0.00 N ATOM 430 CA LYS A 62 -9.991 -0.919 -5.266 1.00 0.00 C ATOM 431 C LYS A 62 -9.955 -2.210 -6.097 1.00 0.00 C ATOM 432 O LYS A 62 -10.888 -3.004 -6.027 1.00 0.00 O ATOM 433 CB LYS A 62 -10.887 0.123 -5.954 1.00 0.00 C ATOM 434 CG LYS A 62 -10.286 0.735 -7.226 1.00 0.00 C ATOM 435 CD LYS A 62 -11.393 1.285 -8.136 1.00 0.00 C ATOM 436 CE LYS A 62 -10.855 2.263 -9.189 1.00 0.00 C ATOM 437 NZ LYS A 62 -9.646 1.761 -9.867 1.00 0.00 N ATOM 0 H LYS A 62 -8.574 0.631 -5.195 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.413 -1.189 -4.298 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.839 -0.344 -6.205 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.101 0.924 -5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.596 1.535 -6.960 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.709 -0.019 -7.761 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.893 0.456 -8.637 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.143 1.789 -7.527 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.630 2.454 -9.931 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -10.629 3.217 -8.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.276 2.494 -10.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.923 1.524 -9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.884 0.911 -10.417 1.00 0.00 H new ATOM 438 N LYS A 63 -8.907 -2.422 -6.897 1.00 0.00 N ATOM 439 CA LYS A 63 -8.779 -3.619 -7.715 1.00 0.00 C ATOM 440 C LYS A 63 -8.615 -4.891 -6.867 1.00 0.00 C ATOM 441 O LYS A 63 -8.845 -5.988 -7.370 1.00 0.00 O ATOM 442 CB LYS A 63 -7.587 -3.444 -8.670 1.00 0.00 C ATOM 443 CG LYS A 63 -6.237 -3.460 -7.935 1.00 0.00 C ATOM 444 CD LYS A 63 -5.088 -2.942 -8.813 1.00 0.00 C ATOM 445 CE LYS A 63 -4.842 -3.794 -10.064 1.00 0.00 C ATOM 446 NZ LYS A 63 -4.536 -5.195 -9.726 1.00 0.00 N ATOM 0 H LYS A 63 -8.129 -1.769 -6.992 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.699 -3.745 -8.286 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.602 -4.241 -9.414 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.693 -2.502 -9.209 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.308 -2.848 -7.036 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.014 -4.477 -7.612 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.307 -1.919 -9.117 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.174 -2.910 -8.220 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.723 -3.760 -10.705 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.016 -3.370 -10.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.716 -5.515 -10.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.318 -5.268 -8.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.358 -5.793 -9.947 1.00 0.00 H new ATOM 447 N TYR A 64 -8.171 -4.765 -5.611 1.00 0.00 N ATOM 448 CA TYR A 64 -7.936 -5.870 -4.717 1.00 0.00 C ATOM 449 C TYR A 64 -9.175 -6.199 -3.890 1.00 0.00 C ATOM 450 O TYR A 64 -10.295 -5.758 -4.131 1.00 0.00 O ATOM 451 CB TYR A 64 -6.732 -5.474 -3.845 1.00 0.00 C ATOM 452 CG TYR A 64 -5.450 -5.233 -4.616 1.00 0.00 C ATOM 453 CD1 TYR A 64 -5.000 -6.157 -5.580 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.694 -4.080 -4.353 1.00 0.00 C ATOM 455 CE1 TYR A 64 -3.844 -5.887 -6.330 1.00 0.00 C ATOM 456 CE2 TYR A 64 -3.532 -3.821 -5.093 1.00 0.00 C ATOM 457 CZ TYR A 64 -3.106 -4.719 -6.084 1.00 0.00 C ATOM 458 OH TYR A 64 -1.964 -4.471 -6.786 1.00 0.00 O ATOM 0 H TYR A 64 -7.964 -3.859 -5.191 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.718 -6.784 -5.269 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.983 -4.570 -3.290 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.557 -6.260 -3.111 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.545 -7.075 -5.742 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.007 -3.393 -3.581 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.523 -6.578 -7.096 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.961 -2.925 -4.899 1.00 0.00 H new ATOM 0 HH TYR A 64 -2.033 -4.875 -7.676 1.00 0.00 H new ATOM 459 N SER A 65 -8.934 -7.057 -2.913 1.00 0.00 N ATOM 460 CA SER A 65 -9.850 -7.604 -1.933 1.00 0.00 C ATOM 461 C SER A 65 -9.015 -8.063 -0.740 1.00 0.00 C ATOM 462 O SER A 65 -7.816 -8.289 -0.892 1.00 0.00 O ATOM 463 CB SER A 65 -10.634 -8.747 -2.575 1.00 0.00 C ATOM 464 OG SER A 65 -11.563 -8.221 -3.504 1.00 0.00 O ATOM 0 H SER A 65 -7.992 -7.424 -2.775 1.00 0.00 H new ATOM 0 HA SER A 65 -10.578 -6.870 -1.588 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.951 -9.433 -3.076 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.156 -9.320 -1.808 1.00 0.00 H new ATOM 0 HG SER A 65 -11.331 -7.291 -3.708 1.00 0.00 H new ATOM 465 N ASP A 66 -9.653 -8.186 0.427 1.00 0.00 N ATOM 466 CA ASP A 66 -9.068 -8.563 1.712 1.00 0.00 C ATOM 467 C ASP A 66 -7.820 -9.449 1.626 1.00 0.00 C ATOM 468 O ASP A 66 -6.787 -9.106 2.191 1.00 0.00 O ATOM 469 CB ASP A 66 -10.144 -9.268 2.544 1.00 0.00 C ATOM 470 CG ASP A 66 -9.579 -9.719 3.884 1.00 0.00 C ATOM 471 OD1 ASP A 66 -9.388 -8.827 4.737 1.00 0.00 O ATOM 472 OD2 ASP A 66 -9.332 -10.935 4.020 1.00 0.00 O ATOM 0 H ASP A 66 -10.656 -8.013 0.502 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.726 -7.638 2.177 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.985 -8.594 2.707 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.527 -10.129 1.997 1.00 0.00 H new ATOM 473 N GLU A 67 -7.913 -10.578 0.921 1.00 0.00 N ATOM 474 CA GLU A 67 -6.802 -11.521 0.803 1.00 0.00 C ATOM 475 C GLU A 67 -5.594 -10.852 0.134 1.00 0.00 C ATOM 476 O GLU A 67 -4.466 -10.935 0.618 1.00 0.00 O ATOM 477 CB GLU A 67 -7.290 -12.765 0.041 1.00 0.00 C ATOM 478 CG GLU A 67 -6.329 -13.962 0.135 1.00 0.00 C ATOM 479 CD GLU A 67 -5.154 -13.875 -0.834 1.00 0.00 C ATOM 480 OE1 GLU A 67 -5.408 -13.937 -2.058 1.00 0.00 O ATOM 481 OE2 GLU A 67 -4.003 -13.763 -0.360 1.00 0.00 O ATOM 0 H GLU A 67 -8.755 -10.862 0.420 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.466 -11.837 1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.264 -13.061 0.431 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.432 -12.505 -1.008 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.946 -14.031 1.153 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.884 -14.880 -0.060 1.00 0.00 H new ATOM 482 N GLU A 68 -5.837 -10.183 -0.993 1.00 0.00 N ATOM 483 CA GLU A 68 -4.803 -9.482 -1.732 1.00 0.00 C ATOM 484 C GLU A 68 -4.214 -8.389 -0.836 1.00 0.00 C ATOM 485 O GLU A 68 -2.997 -8.263 -0.754 1.00 0.00 O ATOM 486 CB GLU A 68 -5.401 -8.878 -3.008 1.00 0.00 C ATOM 487 CG GLU A 68 -5.968 -9.901 -4.000 1.00 0.00 C ATOM 488 CD GLU A 68 -4.864 -10.588 -4.790 1.00 0.00 C ATOM 489 OE1 GLU A 68 -4.324 -11.583 -4.260 1.00 0.00 O ATOM 490 OE2 GLU A 68 -4.564 -10.096 -5.898 1.00 0.00 O ATOM 0 H GLU A 68 -6.763 -10.116 -1.416 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.010 -10.172 -2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.195 -8.186 -2.728 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.631 -8.293 -3.511 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.549 -10.649 -3.460 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.651 -9.402 -4.687 1.00 0.00 H new ATOM 491 N LEU A 69 -5.070 -7.612 -0.159 1.00 0.00 N ATOM 492 CA LEU A 69 -4.614 -6.548 0.733 1.00 0.00 C ATOM 493 C LEU A 69 -3.704 -7.116 1.820 1.00 0.00 C ATOM 494 O LEU A 69 -2.611 -6.604 2.054 1.00 0.00 O ATOM 495 CB LEU A 69 -5.803 -5.831 1.386 1.00 0.00 C ATOM 496 CG LEU A 69 -6.776 -5.204 0.381 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.849 -4.423 1.143 1.00 0.00 C ATOM 498 CD2 LEU A 69 -6.047 -4.295 -0.610 1.00 0.00 C ATOM 0 H LEU A 69 -6.084 -7.704 -0.215 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.056 -5.829 0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.346 -6.542 2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.426 -5.051 2.048 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.245 -6.000 -0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.545 -3.974 0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.391 -5.099 1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.377 -3.638 1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.766 -3.867 -1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.546 -3.493 -0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.308 -4.876 -1.161 1.00 0.00 H new ATOM 499 N LYS A 70 -4.160 -8.174 2.492 1.00 0.00 N ATOM 500 CA LYS A 70 -3.407 -8.823 3.548 1.00 0.00 C ATOM 501 C LYS A 70 -2.047 -9.267 3.012 1.00 0.00 C ATOM 502 O LYS A 70 -1.023 -8.975 3.627 1.00 0.00 O ATOM 503 CB LYS A 70 -4.218 -10.010 4.092 1.00 0.00 C ATOM 504 CG LYS A 70 -3.490 -10.823 5.177 1.00 0.00 C ATOM 505 CD LYS A 70 -2.981 -9.998 6.370 1.00 0.00 C ATOM 506 CE LYS A 70 -4.125 -9.331 7.142 1.00 0.00 C ATOM 507 NZ LYS A 70 -3.612 -8.501 8.245 1.00 0.00 N ATOM 0 H LYS A 70 -5.068 -8.602 2.312 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.230 -8.127 4.368 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.157 -9.638 4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.471 -10.673 3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.166 -11.593 5.548 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.643 -11.335 4.720 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.419 -10.645 7.044 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.291 -9.233 6.013 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.714 -8.714 6.463 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.793 -10.095 7.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.919 -8.903 9.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.573 -8.480 8.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.981 -7.533 8.152 1.00 0.00 H new ATOM 508 N ALA A 71 -2.024 -9.928 1.849 1.00 0.00 N ATOM 509 CA ALA A 71 -0.782 -10.411 1.281 1.00 0.00 C ATOM 510 C ALA A 71 0.126 -9.237 0.952 1.00 0.00 C ATOM 511 O ALA A 71 1.323 -9.286 1.234 1.00 0.00 O ATOM 512 CB ALA A 71 -1.067 -11.248 0.035 1.00 0.00 C ATOM 0 H ALA A 71 -2.853 -10.135 1.292 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.274 -11.045 2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.127 -11.607 -0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.693 -12.099 0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.585 -10.636 -0.704 1.00 0.00 H new ATOM 513 N LEU A 72 -0.432 -8.180 0.356 1.00 0.00 N ATOM 514 CA LEU A 72 0.350 -7.014 0.019 1.00 0.00 C ATOM 515 C LEU A 72 0.982 -6.428 1.271 1.00 0.00 C ATOM 516 O LEU A 72 2.175 -6.155 1.273 1.00 0.00 O ATOM 517 CB LEU A 72 -0.575 -5.988 -0.630 1.00 0.00 C ATOM 518 CG LEU A 72 -0.509 -6.184 -2.136 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.437 -5.194 -2.794 1.00 0.00 C ATOM 520 CD2 LEU A 72 0.897 -5.844 -2.607 1.00 0.00 C ATOM 0 H LEU A 72 -1.418 -8.119 0.103 1.00 0.00 H new ATOM 0 HA LEU A 72 1.149 -7.287 -0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.597 -6.116 -0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.269 -4.976 -0.363 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.779 -7.210 -2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.400 -5.324 -3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.455 -5.361 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.128 -4.180 -2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.962 -5.979 -3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.124 -4.808 -2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.614 -6.501 -2.115 1.00 0.00 H new ATOM 521 N ALA A 73 0.194 -6.210 2.325 1.00 0.00 N ATOM 522 CA ALA A 73 0.708 -5.631 3.555 1.00 0.00 C ATOM 523 C ALA A 73 1.779 -6.532 4.165 1.00 0.00 C ATOM 524 O ALA A 73 2.860 -6.058 4.504 1.00 0.00 O ATOM 525 CB ALA A 73 -0.437 -5.452 4.555 1.00 0.00 C ATOM 0 H ALA A 73 -0.802 -6.428 2.346 1.00 0.00 H new ATOM 0 HA ALA A 73 1.153 -4.663 3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.050 -5.018 5.477 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.191 -4.789 4.130 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.886 -6.421 4.771 1.00 0.00 H new ATOM 526 N ASP A 74 1.476 -7.824 4.333 1.00 0.00 N ATOM 527 CA ASP A 74 2.419 -8.797 4.868 1.00 0.00 C ATOM 528 C ASP A 74 3.726 -8.696 4.081 1.00 0.00 C ATOM 529 O ASP A 74 4.800 -8.653 4.675 1.00 0.00 O ATOM 530 CB ASP A 74 1.840 -10.218 4.780 1.00 0.00 C ATOM 531 CG ASP A 74 0.622 -10.449 5.674 1.00 0.00 C ATOM 532 OD1 ASP A 74 0.411 -9.638 6.603 1.00 0.00 O ATOM 533 OD2 ASP A 74 -0.078 -11.452 5.415 1.00 0.00 O ATOM 0 H ASP A 74 0.565 -8.220 4.099 1.00 0.00 H new ATOM 0 HA ASP A 74 2.609 -8.584 5.920 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.563 -10.423 3.746 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.617 -10.933 5.050 1.00 0.00 H new ATOM 534 N TYR A 75 3.635 -8.633 2.748 1.00 0.00 N ATOM 535 CA TYR A 75 4.810 -8.486 1.905 1.00 0.00 C ATOM 536 C TYR A 75 5.503 -7.164 2.245 1.00 0.00 C ATOM 537 O TYR A 75 6.655 -7.188 2.675 1.00 0.00 O ATOM 538 CB TYR A 75 4.434 -8.566 0.423 1.00 0.00 C ATOM 539 CG TYR A 75 5.564 -8.098 -0.466 1.00 0.00 C ATOM 540 CD1 TYR A 75 6.790 -8.787 -0.434 1.00 0.00 C ATOM 541 CD2 TYR A 75 5.491 -6.831 -1.075 1.00 0.00 C ATOM 542 CE1 TYR A 75 7.928 -8.228 -1.037 1.00 0.00 C ATOM 543 CE2 TYR A 75 6.627 -6.285 -1.694 1.00 0.00 C ATOM 544 CZ TYR A 75 7.847 -6.976 -1.666 1.00 0.00 C ATOM 545 OH TYR A 75 8.961 -6.392 -2.180 1.00 0.00 O ATOM 0 H TYR A 75 2.754 -8.682 2.236 1.00 0.00 H new ATOM 0 HA TYR A 75 5.503 -9.305 2.096 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.172 -9.593 0.169 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.549 -7.957 0.238 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.856 -9.748 0.055 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.562 -6.280 -1.066 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.867 -8.762 -1.017 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.561 -5.330 -2.193 1.00 0.00 H new ATOM 0 HH TYR A 75 9.740 -6.643 -1.641 1.00 0.00 H new ATOM 546 N MET A 76 4.830 -6.018 2.060 1.00 0.00 N ATOM 547 CA MET A 76 5.387 -4.714 2.387 1.00 0.00 C ATOM 548 C MET A 76 6.027 -4.658 3.776 1.00 0.00 C ATOM 549 O MET A 76 6.929 -3.858 4.001 1.00 0.00 O ATOM 550 CB MET A 76 4.285 -3.657 2.338 1.00 0.00 C ATOM 551 CG MET A 76 3.845 -3.317 0.917 1.00 0.00 C ATOM 552 SD MET A 76 2.666 -1.952 0.859 1.00 0.00 S ATOM 553 CE MET A 76 1.119 -2.815 1.138 1.00 0.00 C ATOM 0 H MET A 76 3.885 -5.979 1.679 1.00 0.00 H new ATOM 0 HA MET A 76 6.166 -4.524 1.648 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.424 -4.012 2.904 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.637 -2.750 2.830 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.721 -3.060 0.322 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.396 -4.199 0.460 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.351 -2.407 0.481 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.251 -3.876 0.927 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.813 -2.687 2.176 1.00 0.00 H new ATOM 554 N SER A 77 5.543 -5.461 4.724 1.00 0.00 N ATOM 555 CA SER A 77 6.112 -5.490 6.063 1.00 0.00 C ATOM 556 C SER A 77 7.613 -5.808 5.994 1.00 0.00 C ATOM 557 O SER A 77 8.392 -5.270 6.778 1.00 0.00 O ATOM 558 CB SER A 77 5.337 -6.470 6.949 1.00 0.00 C ATOM 559 OG SER A 77 5.609 -6.194 8.307 1.00 0.00 O ATOM 0 H SER A 77 4.759 -6.098 4.585 1.00 0.00 H new ATOM 0 HA SER A 77 6.016 -4.506 6.523 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.268 -6.383 6.756 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.622 -7.495 6.711 1.00 0.00 H new ATOM 0 HG SER A 77 5.238 -5.318 8.543 1.00 0.00 H new ATOM 560 N LYS A 78 8.023 -6.676 5.062 1.00 0.00 N ATOM 561 CA LYS A 78 9.431 -6.988 4.841 1.00 0.00 C ATOM 562 C LYS A 78 9.951 -6.028 3.764 1.00 0.00 C ATOM 563 O LYS A 78 11.040 -5.474 3.900 1.00 0.00 O ATOM 564 CB LYS A 78 9.585 -8.466 4.440 1.00 0.00 C ATOM 565 CG LYS A 78 11.030 -8.807 4.043 1.00 0.00 C ATOM 566 CD LYS A 78 11.231 -8.764 2.518 1.00 0.00 C ATOM 567 CE LYS A 78 12.679 -8.433 2.139 1.00 0.00 C ATOM 568 NZ LYS A 78 12.994 -7.009 2.362 1.00 0.00 N ATOM 0 H LYS A 78 7.386 -7.178 4.444 1.00 0.00 H new ATOM 0 HA LYS A 78 10.019 -6.853 5.749 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.278 -9.101 5.271 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.918 -8.687 3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.713 -8.104 4.519 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.284 -9.800 4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.955 -9.727 2.089 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.564 -8.019 2.085 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.358 -9.051 2.726 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.846 -8.682 1.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.991 -6.914 2.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.830 -6.476 1.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.384 -6.632 3.115 1.00 0.00 H new ATOM 569 N LEU A 79 9.132 -5.839 2.726 1.00 0.00 N ATOM 570 CA LEU A 79 9.347 -5.009 1.551 1.00 0.00 C ATOM 571 C LEU A 79 10.523 -5.563 0.730 1.00 0.00 C ATOM 572 O LEU A 79 11.643 -5.017 0.818 1.00 0.00 O ATOM 573 CB LEU A 79 9.509 -3.527 1.950 1.00 0.00 C ATOM 574 CG LEU A 79 8.931 -2.503 0.951 1.00 0.00 C ATOM 575 CD1 LEU A 79 8.809 -2.987 -0.495 1.00 0.00 C ATOM 576 CD2 LEU A 79 7.545 -1.979 1.319 1.00 0.00 C ATOM 577 OXT LEU A 79 10.292 -6.564 0.018 1.00 0.00 O ATOM 0 H LEU A 79 8.226 -6.305 2.689 1.00 0.00 H new ATOM 0 HA LEU A 79 8.470 -5.045 0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.030 -3.375 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.571 -3.319 2.084 1.00 0.00 H new ATOM 0 HG LEU A 79 9.685 -1.719 1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.392 -2.190 -1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.795 -3.260 -0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.153 -3.856 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.214 -1.265 0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.842 -2.811 1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.588 -1.486 2.290 1.00 0.00 H new TER 578 LEU A 79 HETATM 579 FE HEM A 80 0.745 3.816 -2.025 1.00 6.41 FE HETATM 580 CHA HEM A 80 0.534 4.978 1.161 1.00 5.52 C HETATM 581 CHB HEM A 80 0.049 0.666 -0.857 1.00 7.91 C HETATM 582 CHC HEM A 80 0.540 2.652 -5.230 1.00 6.02 C HETATM 583 CHD HEM A 80 1.092 7.038 -3.193 1.00 10.53 C HETATM 584 NA HEM A 80 0.555 2.970 -0.220 1.00 6.22 N HETATM 585 C1A HEM A 80 0.530 3.614 0.994 1.00 6.23 C HETATM 586 C2A HEM A 80 0.434 2.677 2.078 1.00 8.27 C HETATM 587 C3A HEM A 80 0.241 1.467 1.513 1.00 7.07 C HETATM 588 C4A HEM A 80 0.299 1.651 0.082 1.00 9.92 C HETATM 589 CMA HEM A 80 -0.014 0.174 2.215 1.00 7.00 C HETATM 590 CAA HEM A 80 0.483 3.026 3.545 1.00 7.29 C HETATM 591 CBA HEM A 80 -0.892 3.202 4.190 1.00 11.15 C HETATM 592 CGA HEM A 80 -1.064 4.563 4.852 1.00 22.27 C HETATM 593 O1A HEM A 80 -1.943 5.313 4.431 1.00 18.65 O HETATM 594 O2A HEM A 80 -0.330 4.842 5.796 1.00 17.21 O HETATM 595 NB HEM A 80 0.276 2.056 -2.870 1.00 4.54 N HETATM 596 C1B HEM A 80 -0.044 0.879 -2.227 1.00 10.91 C HETATM 597 C2B HEM A 80 -0.482 -0.106 -3.183 1.00 5.88 C HETATM 598 C3B HEM A 80 -0.154 0.374 -4.409 1.00 -0.05 C HETATM 599 C4B HEM A 80 0.239 1.754 -4.216 1.00 4.49 C HETATM 600 CMB HEM A 80 -1.091 -1.434 -2.829 1.00 4.31 C HETATM 601 CAB HEM A 80 -0.140 -0.374 -5.725 1.00 6.35 C HETATM 602 CBB HEM A 80 -1.433 -1.075 -6.146 1.00 6.48 C HETATM 603 NC HEM A 80 0.918 4.653 -3.830 1.00 3.58 N HETATM 604 C1C HEM A 80 0.816 4.003 -5.048 1.00 4.45 C HETATM 605 C2C HEM A 80 1.067 4.916 -6.127 1.00 5.77 C HETATM 606 C3C HEM A 80 1.379 6.115 -5.566 1.00 8.44 C HETATM 607 C4C HEM A 80 1.137 5.989 -4.129 1.00 11.13 C HETATM 608 CMC HEM A 80 1.039 4.523 -7.584 1.00 8.62 C HETATM 609 CAC HEM A 80 1.873 7.344 -6.289 1.00 3.39 C HETATM 610 CBC HEM A 80 0.725 8.119 -6.951 1.00 10.94 C HETATM 611 ND HEM A 80 0.731 5.656 -1.190 1.00 4.28 N HETATM 612 C1D HEM A 80 0.860 6.886 -1.812 1.00 5.02 C HETATM 613 C2D HEM A 80 0.748 7.946 -0.797 1.00 3.97 C HETATM 614 C3D HEM A 80 0.681 7.331 0.425 1.00 5.11 C HETATM 615 C4D HEM A 80 0.638 5.925 0.161 1.00 9.05 C HETATM 616 CMD HEM A 80 0.701 9.429 -1.071 1.00 5.28 C HETATM 617 CAD HEM A 80 0.713 7.903 1.841 1.00 9.04 C HETATM 618 CBD HEM A 80 -0.591 8.519 2.351 1.00 6.36 C HETATM 619 CGD HEM A 80 -0.652 10.011 2.069 1.00 6.46 C HETATM 620 O1D HEM A 80 -1.500 10.424 1.286 1.00 8.25 O HETATM 621 O2D HEM A 80 0.122 10.757 2.665 1.00 15.15 O HETATM 0 HMA1 HEM A 80 -0.646 -0.459 1.593 1.00 7.00 H new HETATM 0 HMA2 HEM A 80 -0.516 0.368 3.163 1.00 7.00 H new HETATM 0 HMA3 HEM A 80 0.933 -0.331 2.403 1.00 7.00 H new HETATM 0 HMB1 HEM A 80 -0.692 -1.774 -1.873 1.00 4.31 H new HETATM 0 HMB2 HEM A 80 -0.850 -2.163 -3.603 1.00 4.31 H new HETATM 0 HMB3 HEM A 80 -2.173 -1.329 -2.754 1.00 4.31 H new HETATM 0 HMC1 HEM A 80 0.730 5.378 -8.186 1.00 8.62 H new HETATM 0 HMC2 HEM A 80 0.333 3.705 -7.727 1.00 8.62 H new HETATM 0 HMC3 HEM A 80 2.034 4.202 -7.893 1.00 8.62 H new HETATM 0 HMD1 HEM A 80 1.265 9.650 -1.977 1.00 5.28 H new HETATM 0 HMD2 HEM A 80 1.138 9.968 -0.231 1.00 5.28 H new HETATM 0 HMD3 HEM A 80 -0.335 9.742 -1.203 1.00 5.28 H new HETATM 0 HBB1 HEM A 80 -1.473 -1.627 -7.085 1.00 6.48 H new HETATM 0 HBB2 HEM A 80 -2.314 -1.023 -5.507 1.00 6.48 H new HETATM 0 HBC1 HEM A 80 0.934 9.031 -7.510 1.00 10.94 H new HETATM 0 HBC2 HEM A 80 -0.299 7.757 -6.862 1.00 10.94 H new HETATM 0 HBA1 HEM A 80 -1.042 2.420 4.934 1.00 11.15 H new HETATM 0 HBA2 HEM A 80 -1.663 3.072 3.431 1.00 11.15 H new HETATM 0 HAA1 HEM A 80 1.052 3.947 3.670 1.00 7.29 H new HETATM 0 HAA2 HEM A 80 1.024 2.243 4.076 1.00 7.29 H new HETATM 0 HBD1 HEM A 80 -0.681 8.347 3.424 1.00 6.36 H new HETATM 0 HBD2 HEM A 80 -1.438 8.023 1.877 1.00 6.36 H new HETATM 0 HAD1 HEM A 80 1.492 8.664 1.885 1.00 9.04 H new HETATM 0 HAD2 HEM A 80 1.006 7.107 2.525 1.00 9.04 H new HETATM 0 HHA HEM A 80 0.447 5.345 2.173 1.00 5.52 H new HETATM 0 HHB HEM A 80 -0.084 -0.344 -0.498 1.00 7.91 H new HETATM 0 HHC HEM A 80 0.562 2.272 -6.241 1.00 6.02 H new HETATM 0 HHD HEM A 80 1.248 8.041 -3.563 1.00 10.53 H new HETATM 0 HAB HEM A 80 0.754 -0.412 -6.347 1.00 6.35 H new HETATM 0 HAC HEM A 80 2.919 7.645 -6.336 1.00 3.39 H new