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 63 LYS NZ :NH3+ -122:sc= 0.322 (180deg=-0.0483) USER MOD Set 1.2: A 64 TYR OH : rot -71:sc= 1.14 USER MOD Set 2.1: A 41 MET CE :methyl -169:sc= -0.915 (180deg=-1.35) USER MOD Set 2.2: A 76 MET CE :methyl -143:sc= -0.675 (180deg=-2.06!) USER MOD Set 2.3: A 80 HEM CMA :methyl -30:sc= -2.24 (180deg=-3.01!) USER MOD Single : A 1 ALA N :NH3+ -113:sc= 2.28 (180deg=-0.562) USER MOD Single : A 7 TYR OH : rot 30:sc= -0.244 USER MOD Single : A 8 LYS NZ :NH3+ -171:sc=-0.00191 (180deg=-0.0899) USER MOD Single : A 9 SER OG : rot 180:sc= 0.119 USER MOD Single : A 19 SER OG : rot 63:sc= 0.995 USER MOD Single : A 20 LYS NZ :NH3+ 153:sc= 0.856 (180deg=0.313) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -80:sc= 0.934 USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= 0.642 (180deg=0.338) USER MOD Single : A 30 LYS NZ :NH3+ 175:sc= 1.02 (180deg=0.989) USER MOD Single : A 32 GLN : amide:sc= 1.28 K(o=1.3,f=-3.5!) USER MOD Single : A 38 TYR OH : rot 35:sc= 1.05 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 173:sc= 0.269 (180deg=0.261) USER MOD Single : A 42 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0468) USER MOD Single : A 44 TYR OH : rot 42:sc= 1.21 USER MOD Single : A 48 SER OG : rot -46:sc= 0.649 USER MOD Single : A 49 TYR OH : rot 166:sc= 1.22 USER MOD Single : A 54 LYS NZ :NH3+ 169:sc= 0.234 (180deg=0.0861) USER MOD Single : A 56 MET CE :methyl -174:sc= 0 (180deg=-0.0761) USER MOD Single : A 57 MET CE :methyl 168:sc= -3.88 (180deg=-4.92!) USER MOD Single : A 58 THR OG1 : rot 79:sc= 1.18 USER MOD Single : A 59 ASN : amide:sc= 1.2 K(o=1.2,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -161:sc= 1.02 (180deg=0.791) USER MOD Single : A 65 SER OG : rot 18:sc= 0.664 USER MOD Single : A 70 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0818) USER MOD Single : A 75 TYR OH : rot -47:sc= 1.24 USER MOD Single : A 77 SER OG : rot -30:sc= 0.392 USER MOD Single : A 78 LYS NZ :NH3+ 165:sc= 1.33 (180deg=1.15) USER MOD Single : A 80 HEM CMB :methyl 150:sc= -0.484 (180deg=-0.484) USER MOD Single : A 80 HEM CMC :methyl 150:sc= -0.552 (180deg=-0.552) USER MOD Single : A 80 HEM CMD :methyl -30:sc=-0.00338 (180deg=-1.91) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.531 -13.543 -3.022 1.00 0.00 N ATOM 2 CA ALA A 1 -1.502 -14.093 -3.926 1.00 0.00 C ATOM 3 C ALA A 1 -0.156 -13.535 -3.466 1.00 0.00 C ATOM 4 O ALA A 1 -0.137 -12.966 -2.378 1.00 0.00 O ATOM 5 CB ALA A 1 -1.806 -13.748 -5.388 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.939 -14.311 -2.452 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.099 -12.837 -2.393 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.282 -13.093 -3.584 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.485 -15.182 -3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.031 -14.167 -6.029 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.773 -14.167 -5.667 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.831 -12.665 -5.509 1.00 0.00 H new ATOM 6 N ASP A 2 0.933 -13.662 -4.230 1.00 0.00 N ATOM 7 CA ASP A 2 2.228 -13.144 -3.795 1.00 0.00 C ATOM 8 C ASP A 2 2.193 -11.622 -3.614 1.00 0.00 C ATOM 9 O ASP A 2 1.968 -10.879 -4.569 1.00 0.00 O ATOM 10 CB ASP A 2 3.324 -13.528 -4.791 1.00 0.00 C ATOM 11 CG ASP A 2 4.625 -12.808 -4.445 1.00 0.00 C ATOM 12 OD1 ASP A 2 4.957 -12.762 -3.240 1.00 0.00 O ATOM 13 OD2 ASP A 2 5.228 -12.252 -5.384 1.00 0.00 O ATOM 0 H ASP A 2 0.942 -14.115 -5.144 1.00 0.00 H new ATOM 0 HA ASP A 2 2.452 -13.595 -2.828 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.481 -14.607 -4.773 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.014 -13.268 -5.803 1.00 0.00 H new ATOM 14 N GLY A 3 2.448 -11.167 -2.387 1.00 0.00 N ATOM 15 CA GLY A 3 2.473 -9.758 -2.047 1.00 0.00 C ATOM 16 C GLY A 3 3.467 -9.002 -2.927 1.00 0.00 C ATOM 17 O GLY A 3 3.111 -7.985 -3.511 1.00 0.00 O ATOM 0 H GLY A 3 2.645 -11.781 -1.596 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.477 -9.333 -2.169 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.745 -9.638 -0.998 1.00 0.00 H new ATOM 18 N ALA A 4 4.705 -9.490 -3.058 1.00 0.00 N ATOM 19 CA ALA A 4 5.698 -8.816 -3.891 1.00 0.00 C ATOM 20 C ALA A 4 5.157 -8.586 -5.307 1.00 0.00 C ATOM 21 O ALA A 4 5.250 -7.477 -5.830 1.00 0.00 O ATOM 22 CB ALA A 4 7.003 -9.616 -3.907 1.00 0.00 C ATOM 0 H ALA A 4 5.038 -10.340 -2.602 1.00 0.00 H new ATOM 0 HA ALA A 4 5.910 -7.836 -3.463 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.736 -9.104 -4.531 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.389 -9.703 -2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.815 -10.611 -4.310 1.00 0.00 H new ATOM 23 N ALA A 5 4.570 -9.618 -5.919 1.00 0.00 N ATOM 24 CA ALA A 5 4.006 -9.499 -7.254 1.00 0.00 C ATOM 25 C ALA A 5 2.881 -8.461 -7.277 1.00 0.00 C ATOM 26 O ALA A 5 2.866 -7.599 -8.153 1.00 0.00 O ATOM 27 CB ALA A 5 3.488 -10.858 -7.732 1.00 0.00 C ATOM 0 H ALA A 5 4.476 -10.545 -5.505 1.00 0.00 H new ATOM 0 HA ALA A 5 4.792 -9.165 -7.931 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.068 -10.756 -8.733 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.310 -11.573 -7.755 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.716 -11.214 -7.049 1.00 0.00 H new ATOM 28 N LEU A 6 1.940 -8.511 -6.326 1.00 0.00 N ATOM 29 CA LEU A 6 0.836 -7.587 -6.283 1.00 0.00 C ATOM 30 C LEU A 6 1.350 -6.151 -6.157 1.00 0.00 C ATOM 31 O LEU A 6 0.803 -5.252 -6.794 1.00 0.00 O ATOM 32 CB LEU A 6 -0.036 -7.999 -5.097 1.00 0.00 C ATOM 33 CG LEU A 6 -0.772 -9.337 -5.293 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.281 -9.833 -3.936 1.00 0.00 C ATOM 35 CD2 LEU A 6 -1.951 -9.243 -6.264 1.00 0.00 C ATOM 0 H LEU A 6 1.936 -9.198 -5.572 1.00 0.00 H new ATOM 0 HA LEU A 6 0.247 -7.617 -7.200 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.589 -8.067 -4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.771 -7.216 -4.911 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.055 -10.033 -5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.803 -10.781 -4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.437 -9.975 -3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.965 -9.097 -3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.425 -10.220 -6.356 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.676 -8.522 -5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.593 -8.920 -7.241 1.00 0.00 H new ATOM 36 N TYR A 7 2.385 -5.938 -5.336 1.00 0.00 N ATOM 37 CA TYR A 7 2.963 -4.617 -5.113 1.00 0.00 C ATOM 38 C TYR A 7 3.863 -4.093 -6.248 1.00 0.00 C ATOM 39 O TYR A 7 4.248 -2.920 -6.227 1.00 0.00 O ATOM 40 CB TYR A 7 3.758 -4.651 -3.794 1.00 0.00 C ATOM 41 CG TYR A 7 3.765 -3.334 -3.043 1.00 0.00 C ATOM 42 CD1 TYR A 7 2.549 -2.691 -2.758 1.00 0.00 C ATOM 43 CD2 TYR A 7 4.966 -2.769 -2.577 1.00 0.00 C ATOM 44 CE1 TYR A 7 2.545 -1.408 -2.204 1.00 0.00 C ATOM 45 CE2 TYR A 7 4.954 -1.493 -1.987 1.00 0.00 C ATOM 46 CZ TYR A 7 3.756 -0.762 -1.926 1.00 0.00 C ATOM 47 OH TYR A 7 3.762 0.535 -1.514 1.00 0.00 O ATOM 0 H TYR A 7 2.843 -6.681 -4.809 1.00 0.00 H new ATOM 0 HA TYR A 7 2.126 -3.919 -5.073 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.338 -5.423 -3.149 1.00 0.00 H new ATOM 0 HB3 TYR A 7 4.787 -4.940 -4.009 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.614 -3.190 -2.968 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.894 -3.313 -2.672 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.608 -0.915 -1.990 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.864 -1.076 -1.582 1.00 0.00 H new ATOM 0 HH TYR A 7 2.938 0.725 -1.018 1.00 0.00 H new ATOM 48 N LYS A 8 4.181 -4.912 -7.256 1.00 0.00 N ATOM 49 CA LYS A 8 5.093 -4.551 -8.340 1.00 0.00 C ATOM 50 C LYS A 8 4.784 -3.193 -8.987 1.00 0.00 C ATOM 51 O LYS A 8 5.698 -2.451 -9.338 1.00 0.00 O ATOM 52 CB LYS A 8 5.086 -5.678 -9.385 1.00 0.00 C ATOM 53 CG LYS A 8 6.323 -5.673 -10.293 1.00 0.00 C ATOM 54 CD LYS A 8 7.547 -6.232 -9.549 1.00 0.00 C ATOM 55 CE LYS A 8 8.805 -6.216 -10.426 1.00 0.00 C ATOM 56 NZ LYS A 8 8.668 -7.084 -11.609 1.00 0.00 N ATOM 0 H LYS A 8 3.806 -5.857 -7.341 1.00 0.00 H new ATOM 0 HA LYS A 8 6.087 -4.436 -7.909 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.024 -6.638 -8.873 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.191 -5.587 -10.001 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.129 -6.271 -11.184 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.529 -4.657 -10.630 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.725 -5.644 -8.649 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.341 -7.253 -9.227 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.009 -5.195 -10.748 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.662 -6.541 -9.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.587 -7.164 -12.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.350 -8.028 -11.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.970 -6.673 -12.262 1.00 0.00 H new ATOM 57 N SER A 9 3.509 -2.852 -9.157 1.00 0.00 N ATOM 58 CA SER A 9 3.094 -1.588 -9.752 1.00 0.00 C ATOM 59 C SER A 9 3.357 -0.395 -8.827 1.00 0.00 C ATOM 60 O SER A 9 3.782 0.678 -9.249 1.00 0.00 O ATOM 61 CB SER A 9 1.587 -1.695 -10.020 1.00 0.00 C ATOM 62 OG SER A 9 0.962 -2.464 -9.002 1.00 0.00 O ATOM 0 H SER A 9 2.730 -3.451 -8.883 1.00 0.00 H new ATOM 0 HA SER A 9 3.666 -1.415 -10.663 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.145 -0.699 -10.057 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.415 -2.157 -10.992 1.00 0.00 H new ATOM 0 HG SER A 9 0.001 -2.525 -9.182 1.00 0.00 H new ATOM 63 N CYS A 10 3.086 -0.610 -7.545 1.00 0.00 N ATOM 64 CA CYS A 10 3.148 0.350 -6.458 1.00 0.00 C ATOM 65 C CYS A 10 4.571 0.833 -6.295 1.00 0.00 C ATOM 66 O CYS A 10 4.827 2.012 -6.032 1.00 0.00 O ATOM 67 CB CYS A 10 2.639 -0.354 -5.201 1.00 0.00 C ATOM 68 SG CYS A 10 1.193 -1.433 -5.467 1.00 0.00 S ATOM 0 H CYS A 10 2.795 -1.531 -7.217 1.00 0.00 H new ATOM 0 HA CYS A 10 2.531 1.226 -6.656 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.449 -0.951 -4.782 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.381 0.400 -4.457 1.00 0.00 H new ATOM 69 N ILE A 11 5.485 -0.117 -6.506 1.00 0.00 N ATOM 70 CA ILE A 11 6.915 0.086 -6.478 1.00 0.00 C ATOM 71 C ILE A 11 7.278 1.332 -7.310 1.00 0.00 C ATOM 72 O ILE A 11 8.231 2.033 -6.982 1.00 0.00 O ATOM 73 CB ILE A 11 7.597 -1.226 -6.947 1.00 0.00 C ATOM 74 CG1 ILE A 11 8.448 -1.844 -5.829 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.473 -1.041 -8.193 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.593 -2.390 -4.683 1.00 0.00 C ATOM 0 H ILE A 11 5.227 -1.083 -6.708 1.00 0.00 H new ATOM 0 HA ILE A 11 7.282 0.294 -5.473 1.00 0.00 H new ATOM 0 HB ILE A 11 6.779 -1.898 -7.208 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.056 -2.649 -6.241 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.135 -1.092 -5.441 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.920 -1.996 -8.468 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.860 -0.676 -9.018 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.261 -0.319 -7.980 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.241 -2.817 -3.917 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.004 -1.581 -4.251 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.924 -3.162 -5.064 1.00 0.00 H new ATOM 77 N GLY A 12 6.508 1.639 -8.364 1.00 0.00 N ATOM 78 CA GLY A 12 6.737 2.802 -9.206 1.00 0.00 C ATOM 79 C GLY A 12 6.737 4.120 -8.422 1.00 0.00 C ATOM 80 O GLY A 12 7.596 4.965 -8.659 1.00 0.00 O ATOM 0 H GLY A 12 5.706 1.078 -8.651 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.693 2.690 -9.718 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.966 2.844 -9.976 1.00 0.00 H new ATOM 81 N CYS A 13 5.783 4.315 -7.500 1.00 0.00 N ATOM 82 CA CYS A 13 5.706 5.551 -6.715 1.00 0.00 C ATOM 83 C CYS A 13 6.518 5.417 -5.432 1.00 0.00 C ATOM 84 O CYS A 13 7.250 6.333 -5.064 1.00 0.00 O ATOM 85 CB CYS A 13 4.259 5.906 -6.331 1.00 0.00 C ATOM 86 SG CYS A 13 3.336 6.953 -7.493 1.00 0.00 S ATOM 0 H CYS A 13 5.057 3.633 -7.282 1.00 0.00 H new ATOM 0 HA CYS A 13 6.109 6.344 -7.345 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.705 4.977 -6.198 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.278 6.407 -5.363 1.00 0.00 H new ATOM 87 N HIS A 14 6.364 4.290 -4.736 1.00 0.00 N ATOM 88 CA HIS A 14 6.977 3.992 -3.478 1.00 0.00 C ATOM 89 C HIS A 14 8.473 3.667 -3.564 1.00 0.00 C ATOM 90 O HIS A 14 9.167 3.694 -2.546 1.00 0.00 O ATOM 91 CB HIS A 14 6.126 2.831 -2.980 1.00 0.00 C ATOM 92 CG HIS A 14 4.798 3.286 -2.437 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.704 3.936 -1.219 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.514 3.233 -2.925 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.418 4.269 -1.048 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.627 3.810 -2.021 1.00 0.00 N ATOM 0 H HIS A 14 5.771 3.530 -5.069 1.00 0.00 H new ATOM 0 HA HIS A 14 6.990 4.845 -2.800 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.960 2.129 -3.797 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.669 2.293 -2.202 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.470 4.126 -0.573 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.233 2.804 -3.876 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.058 4.848 -0.211 1.00 0.00 H new ATOM 97 N GLY A 15 8.994 3.391 -4.759 1.00 0.00 N ATOM 98 CA GLY A 15 10.391 3.051 -4.956 1.00 0.00 C ATOM 99 C GLY A 15 10.578 1.544 -4.795 1.00 0.00 C ATOM 100 O GLY A 15 9.770 0.884 -4.143 1.00 0.00 O ATOM 0 H GLY A 15 8.449 3.399 -5.621 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.716 3.364 -5.948 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.011 3.584 -4.235 1.00 0.00 H new ATOM 101 N ALA A 16 11.653 0.999 -5.376 1.00 0.00 N ATOM 102 CA ALA A 16 11.982 -0.425 -5.331 1.00 0.00 C ATOM 103 C ALA A 16 11.872 -0.988 -3.909 1.00 0.00 C ATOM 104 O ALA A 16 11.266 -2.032 -3.685 1.00 0.00 O ATOM 105 CB ALA A 16 13.401 -0.625 -5.872 1.00 0.00 C ATOM 0 H ALA A 16 12.332 1.550 -5.901 1.00 0.00 H new ATOM 0 HA ALA A 16 11.266 -0.967 -5.949 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.656 -1.684 -5.842 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.452 -0.268 -6.901 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.107 -0.065 -5.258 1.00 0.00 H new ATOM 106 N ASP A 17 12.460 -0.268 -2.952 1.00 0.00 N ATOM 107 CA ASP A 17 12.519 -0.567 -1.543 1.00 0.00 C ATOM 108 C ASP A 17 11.358 0.035 -0.760 1.00 0.00 C ATOM 109 O ASP A 17 11.471 0.174 0.454 1.00 0.00 O ATOM 110 CB ASP A 17 13.854 -0.031 -0.993 1.00 0.00 C ATOM 111 CG ASP A 17 13.960 1.499 -1.011 1.00 0.00 C ATOM 112 OD1 ASP A 17 13.019 2.154 -1.519 1.00 0.00 O ATOM 113 OD2 ASP A 17 14.997 1.994 -0.521 1.00 0.00 O ATOM 0 H ASP A 17 12.941 0.604 -3.172 1.00 0.00 H new ATOM 0 HA ASP A 17 12.446 -1.648 -1.422 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.982 -0.383 0.031 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.672 -0.450 -1.579 1.00 0.00 H new ATOM 114 N GLY A 18 10.289 0.462 -1.437 1.00 0.00 N ATOM 115 CA GLY A 18 9.111 1.074 -0.844 1.00 0.00 C ATOM 116 C GLY A 18 9.419 2.129 0.225 1.00 0.00 C ATOM 117 O GLY A 18 8.613 2.334 1.137 1.00 0.00 O ATOM 0 H GLY A 18 10.224 0.385 -2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.519 1.536 -1.634 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.495 0.293 -0.400 1.00 0.00 H new ATOM 118 N SER A 19 10.573 2.797 0.116 1.00 0.00 N ATOM 119 CA SER A 19 11.013 3.809 1.065 1.00 0.00 C ATOM 120 C SER A 19 10.923 5.211 0.470 1.00 0.00 C ATOM 121 O SER A 19 11.078 6.186 1.203 1.00 0.00 O ATOM 122 CB SER A 19 12.447 3.506 1.504 1.00 0.00 C ATOM 123 OG SER A 19 12.514 2.206 2.055 1.00 0.00 O ATOM 0 H SER A 19 11.232 2.643 -0.647 1.00 0.00 H new ATOM 0 HA SER A 19 10.352 3.780 1.931 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.122 3.585 0.652 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.775 4.240 2.240 1.00 0.00 H new ATOM 0 HG SER A 19 12.275 1.548 1.370 1.00 0.00 H new ATOM 124 N LYS A 20 10.704 5.338 -0.844 1.00 0.00 N ATOM 125 CA LYS A 20 10.575 6.648 -1.451 1.00 0.00 C ATOM 126 C LYS A 20 9.255 7.214 -0.938 1.00 0.00 C ATOM 127 O LYS A 20 8.214 6.566 -1.064 1.00 0.00 O ATOM 128 CB LYS A 20 10.622 6.524 -2.983 1.00 0.00 C ATOM 129 CG LYS A 20 10.721 7.847 -3.756 1.00 0.00 C ATOM 130 CD LYS A 20 9.433 8.681 -3.661 1.00 0.00 C ATOM 131 CE LYS A 20 9.157 9.498 -4.927 1.00 0.00 C ATOM 132 NZ LYS A 20 8.775 8.630 -6.058 1.00 0.00 N ATOM 0 H LYS A 20 10.615 4.555 -1.492 1.00 0.00 H new ATOM 0 HA LYS A 20 11.392 7.320 -1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.476 5.902 -3.253 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.727 5.997 -3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.557 8.429 -3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.938 7.637 -4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.589 8.017 -3.472 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.505 9.356 -2.808 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.360 10.215 -4.732 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.045 10.072 -5.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.177 9.165 -6.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.631 8.305 -6.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.247 7.808 -5.702 1.00 0.00 H new ATOM 133 N ALA A 21 9.300 8.396 -0.319 1.00 0.00 N ATOM 134 CA ALA A 21 8.111 9.049 0.197 1.00 0.00 C ATOM 135 C ALA A 21 7.247 9.445 -0.999 1.00 0.00 C ATOM 136 O ALA A 21 7.362 10.549 -1.524 1.00 0.00 O ATOM 137 CB ALA A 21 8.518 10.246 1.062 1.00 0.00 C ATOM 0 H ALA A 21 10.162 8.920 -0.165 1.00 0.00 H new ATOM 0 HA ALA A 21 7.530 8.388 0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.624 10.736 1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.132 9.902 1.894 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.087 10.954 0.459 1.00 0.00 H new ATOM 138 N ALA A 22 6.418 8.501 -1.447 1.00 0.00 N ATOM 139 CA ALA A 22 5.568 8.613 -2.614 1.00 0.00 C ATOM 140 C ALA A 22 4.907 9.979 -2.774 1.00 0.00 C ATOM 141 O ALA A 22 4.246 10.455 -1.853 1.00 0.00 O ATOM 142 CB ALA A 22 4.530 7.491 -2.615 1.00 0.00 C ATOM 0 H ALA A 22 6.323 7.600 -0.979 1.00 0.00 H new ATOM 0 HA ALA A 22 6.219 8.509 -3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.895 7.583 -3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.037 6.526 -2.632 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.916 7.562 -1.717 1.00 0.00 H new ATOM 143 N MET A 23 5.108 10.545 -3.973 1.00 0.00 N ATOM 144 CA MET A 23 4.643 11.804 -4.544 1.00 0.00 C ATOM 145 C MET A 23 4.252 12.875 -3.524 1.00 0.00 C ATOM 146 O MET A 23 4.972 13.858 -3.377 1.00 0.00 O ATOM 147 CB MET A 23 3.497 11.497 -5.517 1.00 0.00 C ATOM 148 CG MET A 23 3.936 10.538 -6.633 1.00 0.00 C ATOM 149 SD MET A 23 5.294 11.116 -7.683 1.00 0.00 S ATOM 150 CE MET A 23 5.479 9.685 -8.769 1.00 0.00 C ATOM 0 H MET A 23 5.684 10.053 -4.656 1.00 0.00 H new ATOM 0 HA MET A 23 5.487 12.252 -5.068 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.663 11.059 -4.969 1.00 0.00 H new ATOM 0 HB3 MET A 23 3.136 12.426 -5.958 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.231 9.593 -6.178 1.00 0.00 H new ATOM 0 HG3 MET A 23 3.074 10.331 -7.268 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.280 9.872 -9.484 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.723 8.805 -8.173 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.546 9.513 -9.306 1.00 0.00 H new ATOM 151 N GLY A 24 3.097 12.723 -2.869 1.00 0.00 N ATOM 152 CA GLY A 24 2.633 13.667 -1.863 1.00 0.00 C ATOM 153 C GLY A 24 3.728 13.917 -0.825 1.00 0.00 C ATOM 154 O GLY A 24 3.973 15.061 -0.448 1.00 0.00 O ATOM 0 H GLY A 24 2.462 11.940 -3.025 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.352 14.607 -2.338 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.740 13.278 -1.373 1.00 0.00 H new ATOM 155 N SER A 25 4.367 12.820 -0.403 1.00 0.00 N ATOM 156 CA SER A 25 5.457 12.639 0.551 1.00 0.00 C ATOM 157 C SER A 25 5.053 11.516 1.513 1.00 0.00 C ATOM 158 O SER A 25 5.076 11.703 2.728 1.00 0.00 O ATOM 159 CB SER A 25 5.863 13.932 1.291 1.00 0.00 C ATOM 160 OG SER A 25 4.809 14.538 2.015 1.00 0.00 O ATOM 0 H SER A 25 4.088 11.914 -0.779 1.00 0.00 H new ATOM 0 HA SER A 25 6.359 12.363 0.004 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.678 13.704 1.978 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.249 14.647 0.565 1.00 0.00 H new ATOM 0 HG SER A 25 4.240 15.047 1.400 1.00 0.00 H new ATOM 161 N ALA A 26 4.715 10.322 0.996 1.00 0.00 N ATOM 162 CA ALA A 26 4.286 9.251 1.874 1.00 0.00 C ATOM 163 C ALA A 26 5.269 8.906 2.986 1.00 0.00 C ATOM 164 O ALA A 26 6.483 8.936 2.810 1.00 0.00 O ATOM 165 CB ALA A 26 4.055 7.989 1.048 1.00 0.00 C ATOM 0 H ALA A 26 4.733 10.090 0.003 1.00 0.00 H new ATOM 0 HA ALA A 26 3.377 9.613 2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.732 7.180 1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.285 8.180 0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.982 7.705 0.550 1.00 0.00 H new ATOM 166 N LYS A 27 4.724 8.546 4.145 1.00 0.00 N ATOM 167 CA LYS A 27 5.522 8.054 5.252 1.00 0.00 C ATOM 168 C LYS A 27 6.119 6.761 4.682 1.00 0.00 C ATOM 169 O LYS A 27 5.321 5.952 4.205 1.00 0.00 O ATOM 170 CB LYS A 27 4.611 7.752 6.451 1.00 0.00 C ATOM 171 CG LYS A 27 3.815 8.983 6.913 1.00 0.00 C ATOM 172 CD LYS A 27 2.779 8.632 7.995 1.00 0.00 C ATOM 173 CE LYS A 27 1.737 7.586 7.561 1.00 0.00 C ATOM 174 NZ LYS A 27 1.108 7.910 6.268 1.00 0.00 N ATOM 0 H LYS A 27 3.723 8.588 4.337 1.00 0.00 H new ATOM 0 HA LYS A 27 6.277 8.755 5.607 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.917 6.955 6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.217 7.384 7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.503 9.734 7.301 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.308 9.428 6.057 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.303 8.261 8.876 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.260 9.543 8.293 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.216 6.609 7.492 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.965 7.509 8.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.313 7.262 6.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.759 8.889 6.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.808 7.807 5.506 1.00 0.00 H new ATOM 175 N PRO A 28 7.451 6.561 4.653 1.00 0.00 N ATOM 176 CA PRO A 28 8.071 5.373 4.078 1.00 0.00 C ATOM 177 C PRO A 28 7.252 4.117 4.369 1.00 0.00 C ATOM 178 O PRO A 28 7.120 3.704 5.517 1.00 0.00 O ATOM 179 CB PRO A 28 9.468 5.304 4.676 1.00 0.00 C ATOM 180 CG PRO A 28 9.809 6.779 4.896 1.00 0.00 C ATOM 181 CD PRO A 28 8.462 7.422 5.241 1.00 0.00 C ATOM 0 HA PRO A 28 8.119 5.432 2.991 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.482 4.741 5.609 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.175 4.821 4.001 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.531 6.906 5.703 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.247 7.225 4.003 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.330 7.499 6.320 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.397 8.433 4.839 1.00 0.00 H new ATOM 182 N VAL A 29 6.669 3.549 3.314 1.00 0.00 N ATOM 183 CA VAL A 29 5.803 2.382 3.402 1.00 0.00 C ATOM 184 C VAL A 29 6.614 1.207 3.977 1.00 0.00 C ATOM 185 O VAL A 29 6.065 0.384 4.709 1.00 0.00 O ATOM 186 CB VAL A 29 5.177 2.084 2.019 1.00 0.00 C ATOM 187 CG1 VAL A 29 4.999 0.591 1.751 1.00 0.00 C ATOM 188 CG2 VAL A 29 3.770 2.693 1.912 1.00 0.00 C ATOM 0 H VAL A 29 6.789 3.894 2.362 1.00 0.00 H new ATOM 0 HA VAL A 29 4.968 2.562 4.079 1.00 0.00 H new ATOM 0 HB VAL A 29 5.873 2.515 1.299 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.556 0.449 0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.970 0.097 1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.344 0.161 2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.351 2.470 0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.130 2.268 2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.830 3.773 2.044 1.00 0.00 H new ATOM 189 N LYS A 30 7.907 1.106 3.631 1.00 0.00 N ATOM 190 CA LYS A 30 8.790 0.050 4.111 1.00 0.00 C ATOM 191 C LYS A 30 8.721 -0.156 5.613 1.00 0.00 C ATOM 192 O LYS A 30 9.264 0.600 6.415 1.00 0.00 O ATOM 193 CB LYS A 30 10.231 0.283 3.664 1.00 0.00 C ATOM 194 CG LYS A 30 11.210 -0.731 4.289 1.00 0.00 C ATOM 195 CD LYS A 30 12.464 -0.908 3.423 1.00 0.00 C ATOM 196 CE LYS A 30 13.431 -1.954 3.993 1.00 0.00 C ATOM 197 NZ LYS A 30 12.900 -3.329 3.897 1.00 0.00 N ATOM 0 H LYS A 30 8.366 1.766 3.003 1.00 0.00 H new ATOM 0 HA LYS A 30 8.426 -0.871 3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.287 0.216 2.577 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.535 1.294 3.937 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.499 -0.394 5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.711 -1.693 4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.167 -1.203 2.416 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.979 0.049 3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.379 -1.896 3.459 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.639 -1.721 5.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.624 -4.004 4.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.055 -3.418 4.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.647 -3.535 2.910 1.00 0.00 H new ATOM 198 N GLY A 31 8.065 -1.258 5.946 1.00 0.00 N ATOM 199 CA GLY A 31 7.894 -1.722 7.300 1.00 0.00 C ATOM 200 C GLY A 31 6.984 -0.790 8.069 1.00 0.00 C ATOM 201 O GLY A 31 7.213 -0.569 9.255 1.00 0.00 O ATOM 0 H GLY A 31 7.627 -1.867 5.255 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.474 -2.728 7.296 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.863 -1.783 7.795 1.00 0.00 H new ATOM 202 N GLN A 32 5.943 -0.259 7.410 1.00 0.00 N ATOM 203 CA GLN A 32 5.033 0.640 8.097 1.00 0.00 C ATOM 204 C GLN A 32 4.448 -0.117 9.306 1.00 0.00 C ATOM 205 O GLN A 32 4.330 0.414 10.407 1.00 0.00 O ATOM 206 CB GLN A 32 3.950 1.203 7.156 1.00 0.00 C ATOM 207 CG GLN A 32 4.087 2.718 6.881 1.00 0.00 C ATOM 208 CD GLN A 32 3.009 3.246 5.921 1.00 0.00 C ATOM 209 OE1 GLN A 32 1.906 2.708 5.917 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.281 4.269 5.097 1.00 0.00 N ATOM 0 H GLN A 32 5.722 -0.436 6.430 1.00 0.00 H new ATOM 0 HA GLN A 32 5.571 1.520 8.451 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.991 0.666 6.208 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.969 1.009 7.590 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.026 3.261 7.824 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.072 2.919 6.461 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.203 4.705 5.113 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.566 4.611 4.455 1.00 0.00 H new ATOM 211 N GLY A 33 4.103 -1.384 9.057 1.00 0.00 N ATOM 212 CA GLY A 33 3.590 -2.380 9.989 1.00 0.00 C ATOM 213 C GLY A 33 2.453 -3.116 9.296 1.00 0.00 C ATOM 214 O GLY A 33 1.497 -2.457 8.930 1.00 0.00 O ATOM 0 H GLY A 33 4.184 -1.767 8.115 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.378 -3.076 10.277 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.236 -1.903 10.903 1.00 0.00 H new ATOM 215 N ALA A 34 2.516 -4.434 9.077 1.00 0.00 N ATOM 216 CA ALA A 34 1.480 -5.196 8.382 1.00 0.00 C ATOM 217 C ALA A 34 0.076 -4.815 8.834 1.00 0.00 C ATOM 218 O ALA A 34 -0.800 -4.599 8.005 1.00 0.00 O ATOM 219 CB ALA A 34 1.700 -6.698 8.599 1.00 0.00 C ATOM 0 H ALA A 34 3.302 -5.008 9.384 1.00 0.00 H new ATOM 0 HA ALA A 34 1.561 -4.955 7.322 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.924 -7.258 8.078 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.677 -6.983 8.209 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.656 -6.922 9.665 1.00 0.00 H new ATOM 220 N GLU A 35 -0.132 -4.724 10.145 1.00 0.00 N ATOM 221 CA GLU A 35 -1.433 -4.349 10.687 1.00 0.00 C ATOM 222 C GLU A 35 -1.814 -2.951 10.192 1.00 0.00 C ATOM 223 O GLU A 35 -2.944 -2.722 9.772 1.00 0.00 O ATOM 224 CB GLU A 35 -1.379 -4.431 12.223 1.00 0.00 C ATOM 225 CG GLU A 35 -2.745 -4.231 12.906 1.00 0.00 C ATOM 226 CD GLU A 35 -3.243 -2.784 12.922 1.00 0.00 C ATOM 227 OE1 GLU A 35 -2.389 -1.881 13.054 1.00 0.00 O ATOM 228 OE2 GLU A 35 -4.475 -2.609 12.818 1.00 0.00 O ATOM 0 H GLU A 35 0.583 -4.905 10.850 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.206 -5.036 10.342 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.978 -5.403 12.512 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.685 -3.677 12.593 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.484 -4.850 12.398 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.679 -4.590 13.933 1.00 0.00 H new ATOM 229 N GLU A 36 -0.852 -2.031 10.231 1.00 0.00 N ATOM 230 CA GLU A 36 -0.979 -0.648 9.815 1.00 0.00 C ATOM 231 C GLU A 36 -1.369 -0.621 8.346 1.00 0.00 C ATOM 232 O GLU A 36 -2.449 -0.175 7.969 1.00 0.00 O ATOM 233 CB GLU A 36 0.398 0.015 10.042 1.00 0.00 C ATOM 234 CG GLU A 36 0.378 1.436 10.591 1.00 0.00 C ATOM 235 CD GLU A 36 -0.285 1.509 11.964 1.00 0.00 C ATOM 236 OE1 GLU A 36 0.398 1.143 12.945 1.00 0.00 O ATOM 237 OE2 GLU A 36 -1.465 1.920 12.004 1.00 0.00 O ATOM 0 H GLU A 36 0.084 -2.249 10.573 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.743 -0.112 10.378 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.970 -0.609 10.728 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.936 0.022 9.094 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.399 1.812 10.661 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.154 2.086 9.896 1.00 0.00 H new ATOM 238 N LEU A 37 -0.450 -1.135 7.536 1.00 0.00 N ATOM 239 CA LEU A 37 -0.544 -1.256 6.101 1.00 0.00 C ATOM 240 C LEU A 37 -1.899 -1.838 5.711 1.00 0.00 C ATOM 241 O LEU A 37 -2.592 -1.267 4.876 1.00 0.00 O ATOM 242 CB LEU A 37 0.600 -2.167 5.635 1.00 0.00 C ATOM 243 CG LEU A 37 1.980 -1.496 5.740 1.00 0.00 C ATOM 244 CD1 LEU A 37 3.087 -2.553 5.766 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.199 -0.583 4.535 1.00 0.00 C ATOM 0 H LEU A 37 0.433 -1.499 7.895 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.459 -0.279 5.624 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.598 -3.078 6.233 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.423 -2.464 4.601 1.00 0.00 H new ATOM 0 HG LEU A 37 2.014 -0.915 6.662 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.057 -2.062 5.841 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.945 -3.208 6.626 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.048 -3.143 4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.177 -0.108 4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.152 -1.172 3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.424 0.184 4.514 1.00 0.00 H new ATOM 246 N TYR A 38 -2.296 -2.953 6.328 1.00 0.00 N ATOM 247 CA TYR A 38 -3.546 -3.624 6.012 1.00 0.00 C ATOM 248 C TYR A 38 -4.751 -2.801 6.439 1.00 0.00 C ATOM 249 O TYR A 38 -5.695 -2.670 5.668 1.00 0.00 O ATOM 250 CB TYR A 38 -3.568 -4.990 6.694 1.00 0.00 C ATOM 251 CG TYR A 38 -4.656 -5.973 6.283 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.358 -5.848 5.065 1.00 0.00 C ATOM 253 CD2 TYR A 38 -4.903 -7.089 7.107 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.287 -6.828 4.682 1.00 0.00 C ATOM 255 CE2 TYR A 38 -5.824 -8.076 6.712 1.00 0.00 C ATOM 256 CZ TYR A 38 -6.500 -7.954 5.488 1.00 0.00 C ATOM 257 OH TYR A 38 -7.278 -8.974 5.032 1.00 0.00 O ATOM 0 H TYR A 38 -1.755 -3.412 7.061 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.607 -3.748 4.931 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.603 -5.467 6.520 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.653 -4.826 7.768 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.180 -4.996 4.426 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.382 -7.187 8.048 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.840 -6.714 3.762 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.011 -8.927 7.350 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.153 -9.074 4.065 1.00 0.00 H new ATOM 258 N LYS A 39 -4.743 -2.261 7.659 1.00 0.00 N ATOM 259 CA LYS A 39 -5.845 -1.452 8.154 1.00 0.00 C ATOM 260 C LYS A 39 -6.060 -0.270 7.211 1.00 0.00 C ATOM 261 O LYS A 39 -7.188 0.070 6.856 1.00 0.00 O ATOM 262 CB LYS A 39 -5.486 -0.992 9.574 1.00 0.00 C ATOM 263 CG LYS A 39 -6.484 -0.016 10.208 1.00 0.00 C ATOM 264 CD LYS A 39 -6.131 0.250 11.681 1.00 0.00 C ATOM 265 CE LYS A 39 -4.697 0.773 11.857 1.00 0.00 C ATOM 266 NZ LYS A 39 -4.415 1.140 13.254 1.00 0.00 N ATOM 0 H LYS A 39 -3.977 -2.374 8.323 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.776 -2.018 8.190 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.402 -1.870 10.214 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.504 -0.520 9.550 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.482 0.923 9.654 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.492 -0.425 10.140 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.832 0.975 12.094 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.251 -0.671 12.252 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.990 0.010 11.532 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.546 1.641 11.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.438 1.488 13.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.073 1.886 13.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.534 0.305 13.863 1.00 0.00 H new ATOM 267 N LYS A 40 -4.958 0.340 6.782 1.00 0.00 N ATOM 268 CA LYS A 40 -4.971 1.484 5.912 1.00 0.00 C ATOM 269 C LYS A 40 -5.428 1.081 4.509 1.00 0.00 C ATOM 270 O LYS A 40 -6.245 1.778 3.910 1.00 0.00 O ATOM 271 CB LYS A 40 -3.568 2.078 5.979 1.00 0.00 C ATOM 272 CG LYS A 40 -3.394 2.800 7.326 1.00 0.00 C ATOM 273 CD LYS A 40 -1.942 3.223 7.581 1.00 0.00 C ATOM 274 CE LYS A 40 -1.834 4.202 8.758 1.00 0.00 C ATOM 275 NZ LYS A 40 -2.504 3.706 9.974 1.00 0.00 N ATOM 0 H LYS A 40 -4.019 0.037 7.042 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.688 2.246 6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.821 1.291 5.874 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.415 2.775 5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.035 3.681 7.348 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.725 2.145 8.132 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.336 2.340 7.785 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.535 3.688 6.683 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.782 4.386 8.977 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.272 5.158 8.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.301 4.346 10.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.531 3.668 9.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.153 2.753 10.199 1.00 0.00 H new ATOM 276 N MET A 41 -4.941 -0.049 3.985 1.00 0.00 N ATOM 277 CA MET A 41 -5.357 -0.523 2.676 1.00 0.00 C ATOM 278 C MET A 41 -6.843 -0.842 2.706 1.00 0.00 C ATOM 279 O MET A 41 -7.536 -0.506 1.758 1.00 0.00 O ATOM 280 CB MET A 41 -4.557 -1.754 2.239 1.00 0.00 C ATOM 281 CG MET A 41 -3.709 -1.389 1.015 1.00 0.00 C ATOM 282 SD MET A 41 -2.684 -2.704 0.314 1.00 0.00 S ATOM 283 CE MET A 41 -2.070 -3.447 1.836 1.00 0.00 C ATOM 0 H MET A 41 -4.259 -0.646 4.453 1.00 0.00 H new ATOM 0 HA MET A 41 -5.163 0.265 1.948 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.917 -2.095 3.052 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.232 -2.576 1.998 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.377 -1.026 0.234 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.057 -0.559 1.288 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.270 -4.149 1.601 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.686 -2.666 2.493 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.882 -3.975 2.336 1.00 0.00 H new ATOM 284 N LYS A 42 -7.337 -1.496 3.761 1.00 0.00 N ATOM 285 CA LYS A 42 -8.755 -1.792 3.895 1.00 0.00 C ATOM 286 C LYS A 42 -9.493 -0.455 3.881 1.00 0.00 C ATOM 287 O LYS A 42 -10.449 -0.274 3.129 1.00 0.00 O ATOM 288 CB LYS A 42 -9.005 -2.585 5.185 1.00 0.00 C ATOM 289 CG LYS A 42 -10.487 -2.947 5.337 1.00 0.00 C ATOM 290 CD LYS A 42 -10.697 -3.804 6.591 1.00 0.00 C ATOM 291 CE LYS A 42 -12.187 -4.059 6.854 1.00 0.00 C ATOM 292 NZ LYS A 42 -12.824 -4.803 5.753 1.00 0.00 N ATOM 0 H LYS A 42 -6.766 -1.830 4.537 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.119 -2.414 3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.405 -3.495 5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.682 -1.997 6.044 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.086 -2.039 5.404 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.829 -3.490 4.455 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.179 -4.756 6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.254 -3.304 7.453 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.300 -4.619 7.783 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.699 -3.106 6.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.802 -5.042 6.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.830 -4.216 4.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.291 -5.677 5.571 1.00 0.00 H new ATOM 293 N GLY A 43 -9.001 0.490 4.689 1.00 0.00 N ATOM 294 CA GLY A 43 -9.533 1.832 4.776 1.00 0.00 C ATOM 295 C GLY A 43 -9.686 2.430 3.380 1.00 0.00 C ATOM 296 O GLY A 43 -10.757 2.907 3.032 1.00 0.00 O ATOM 0 H GLY A 43 -8.207 0.329 5.308 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.499 1.816 5.281 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.870 2.456 5.376 1.00 0.00 H new ATOM 297 N TYR A 44 -8.639 2.405 2.555 1.00 0.00 N ATOM 298 CA TYR A 44 -8.737 2.938 1.200 1.00 0.00 C ATOM 299 C TYR A 44 -9.630 2.057 0.317 1.00 0.00 C ATOM 300 O TYR A 44 -10.376 2.578 -0.504 1.00 0.00 O ATOM 301 CB TYR A 44 -7.343 3.075 0.577 1.00 0.00 C ATOM 302 CG TYR A 44 -6.439 4.143 1.166 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.920 5.445 1.416 1.00 0.00 C ATOM 304 CD2 TYR A 44 -5.060 3.885 1.277 1.00 0.00 C ATOM 305 CE1 TYR A 44 -6.045 6.450 1.861 1.00 0.00 C ATOM 306 CE2 TYR A 44 -4.179 4.917 1.637 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.669 6.188 1.960 1.00 0.00 C ATOM 308 OH TYR A 44 -3.802 7.130 2.416 1.00 0.00 O ATOM 0 H TYR A 44 -7.724 2.026 2.799 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.195 3.925 1.262 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.836 2.114 0.662 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.464 3.279 -0.487 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.965 5.670 1.265 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.679 2.893 1.085 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.430 7.423 2.127 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.116 4.729 1.665 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.194 7.588 3.189 1.00 0.00 H new ATOM 309 N ALA A 45 -9.568 0.732 0.477 1.00 0.00 N ATOM 310 CA ALA A 45 -10.346 -0.226 -0.296 1.00 0.00 C ATOM 311 C ALA A 45 -11.831 0.136 -0.199 1.00 0.00 C ATOM 312 O ALA A 45 -12.520 0.210 -1.214 1.00 0.00 O ATOM 313 CB ALA A 45 -10.112 -1.655 0.203 1.00 0.00 C ATOM 0 H ALA A 45 -8.959 0.290 1.166 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.026 -0.182 -1.337 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.705 -2.350 -0.392 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.056 -1.905 0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.409 -1.728 1.249 1.00 0.00 H new ATOM 314 N ASP A 46 -12.317 0.353 1.031 1.00 0.00 N ATOM 315 CA ASP A 46 -13.708 0.723 1.289 1.00 0.00 C ATOM 316 C ASP A 46 -13.923 2.242 1.172 1.00 0.00 C ATOM 317 O ASP A 46 -15.035 2.674 0.880 1.00 0.00 O ATOM 318 CB ASP A 46 -14.175 0.154 2.641 1.00 0.00 C ATOM 319 CG ASP A 46 -13.381 0.612 3.861 1.00 0.00 C ATOM 320 OD1 ASP A 46 -13.189 1.837 4.000 1.00 0.00 O ATOM 321 OD2 ASP A 46 -13.004 -0.273 4.659 1.00 0.00 O ATOM 0 H ASP A 46 -11.751 0.275 1.876 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.334 0.274 0.518 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.220 0.426 2.787 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.133 -0.934 2.591 1.00 0.00 H new ATOM 322 N GLY A 47 -12.879 3.050 1.381 1.00 0.00 N ATOM 323 CA GLY A 47 -12.901 4.505 1.284 1.00 0.00 C ATOM 324 C GLY A 47 -13.037 5.224 2.632 1.00 0.00 C ATOM 325 O GLY A 47 -13.364 6.408 2.654 1.00 0.00 O ATOM 0 H GLY A 47 -11.959 2.689 1.633 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.985 4.839 0.798 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.730 4.802 0.641 1.00 0.00 H new ATOM 326 N SER A 48 -12.753 4.551 3.751 1.00 0.00 N ATOM 327 CA SER A 48 -12.843 5.096 5.101 1.00 0.00 C ATOM 328 C SER A 48 -11.461 5.468 5.658 1.00 0.00 C ATOM 329 O SER A 48 -11.216 5.292 6.852 1.00 0.00 O ATOM 330 CB SER A 48 -13.547 4.070 6.002 1.00 0.00 C ATOM 331 OG SER A 48 -13.799 4.623 7.279 1.00 0.00 O ATOM 0 H SER A 48 -12.444 3.579 3.737 1.00 0.00 H new ATOM 0 HA SER A 48 -13.424 6.018 5.074 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.485 3.757 5.543 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.928 3.179 6.101 1.00 0.00 H new ATOM 0 HG SER A 48 -12.994 5.078 7.603 1.00 0.00 H new ATOM 332 N TYR A 49 -10.552 5.975 4.821 1.00 0.00 N ATOM 333 CA TYR A 49 -9.220 6.413 5.230 1.00 0.00 C ATOM 334 C TYR A 49 -8.758 7.479 4.236 1.00 0.00 C ATOM 335 O TYR A 49 -9.308 7.564 3.138 1.00 0.00 O ATOM 336 CB TYR A 49 -8.255 5.220 5.313 1.00 0.00 C ATOM 337 CG TYR A 49 -6.840 5.555 5.757 1.00 0.00 C ATOM 338 CD1 TYR A 49 -6.628 6.278 6.946 1.00 0.00 C ATOM 339 CD2 TYR A 49 -5.735 5.174 4.973 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.341 6.740 7.268 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.443 5.622 5.306 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.254 6.447 6.427 1.00 0.00 C ATOM 343 OH TYR A 49 -3.014 6.897 6.765 1.00 0.00 O ATOM 0 H TYR A 49 -10.727 6.094 3.823 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.241 6.846 6.230 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.670 4.486 6.004 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.207 4.744 4.333 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.455 6.478 7.611 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.879 4.536 4.113 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.187 7.322 8.165 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.597 5.332 4.700 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.339 6.432 6.227 1.00 0.00 H new ATOM 344 N GLY A 50 -7.776 8.302 4.621 1.00 0.00 N ATOM 345 CA GLY A 50 -7.270 9.382 3.792 1.00 0.00 C ATOM 346 C GLY A 50 -5.752 9.484 3.788 1.00 0.00 C ATOM 347 O GLY A 50 -5.054 8.641 4.347 1.00 0.00 O ATOM 0 H GLY A 50 -7.312 8.230 5.526 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.619 9.239 2.769 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.689 10.325 4.143 1.00 0.00 H new ATOM 348 N GLY A 51 -5.252 10.523 3.122 1.00 0.00 N ATOM 349 CA GLY A 51 -3.884 10.864 2.906 1.00 0.00 C ATOM 350 C GLY A 51 -3.802 11.863 1.759 1.00 0.00 C ATOM 351 O GLY A 51 -4.809 12.149 1.107 1.00 0.00 O ATOM 0 H GLY A 51 -5.874 11.203 2.684 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.455 11.293 3.811 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.305 9.971 2.671 1.00 0.00 H new ATOM 352 N GLU A 52 -2.596 12.370 1.532 1.00 0.00 N ATOM 353 CA GLU A 52 -2.234 13.347 0.515 1.00 0.00 C ATOM 354 C GLU A 52 -2.785 12.968 -0.862 1.00 0.00 C ATOM 355 O GLU A 52 -3.303 13.831 -1.567 1.00 0.00 O ATOM 356 CB GLU A 52 -0.706 13.464 0.451 1.00 0.00 C ATOM 357 CG GLU A 52 -0.104 13.966 1.771 1.00 0.00 C ATOM 358 CD GLU A 52 1.417 14.013 1.695 1.00 0.00 C ATOM 359 OE1 GLU A 52 2.011 12.930 1.504 1.00 0.00 O ATOM 360 OE2 GLU A 52 1.958 15.135 1.797 1.00 0.00 O ATOM 0 H GLU A 52 -1.791 12.089 2.092 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.675 14.305 0.791 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.279 12.491 0.206 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.429 14.145 -0.354 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.491 14.960 1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.411 13.311 2.587 1.00 0.00 H new ATOM 361 N ARG A 53 -2.643 11.698 -1.255 1.00 0.00 N ATOM 362 CA ARG A 53 -3.150 11.206 -2.544 1.00 0.00 C ATOM 363 C ARG A 53 -4.054 9.997 -2.317 1.00 0.00 C ATOM 364 O ARG A 53 -4.029 9.034 -3.088 1.00 0.00 O ATOM 365 CB ARG A 53 -2.034 10.917 -3.573 1.00 0.00 C ATOM 366 CG ARG A 53 -1.043 12.085 -3.675 1.00 0.00 C ATOM 367 CD ARG A 53 -0.197 11.987 -4.950 1.00 0.00 C ATOM 368 NE ARG A 53 -1.018 12.180 -6.154 1.00 0.00 N ATOM 369 CZ ARG A 53 -0.555 12.161 -7.412 1.00 0.00 C ATOM 370 NH1 ARG A 53 0.751 11.999 -7.646 1.00 0.00 N ATOM 371 NH2 ARG A 53 -1.405 12.302 -8.435 1.00 0.00 N ATOM 0 H ARG A 53 -2.177 10.985 -0.694 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.740 12.006 -2.991 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.501 10.010 -3.287 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.479 10.730 -4.550 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.588 13.029 -3.669 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.390 12.088 -2.802 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.593 12.737 -4.923 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.290 11.013 -4.992 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.017 12.341 -6.022 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.399 11.889 -6.866 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.099 11.985 -8.605 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.402 12.424 -8.257 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.056 12.288 -9.393 1.00 0.00 H new ATOM 372 N LYS A 54 -4.911 10.092 -1.293 1.00 0.00 N ATOM 373 CA LYS A 54 -5.856 9.047 -0.931 1.00 0.00 C ATOM 374 C LYS A 54 -6.667 8.560 -2.135 1.00 0.00 C ATOM 375 O LYS A 54 -7.018 7.387 -2.203 1.00 0.00 O ATOM 376 CB LYS A 54 -6.834 9.575 0.127 1.00 0.00 C ATOM 377 CG LYS A 54 -7.647 10.819 -0.290 1.00 0.00 C ATOM 378 CD LYS A 54 -8.601 11.327 0.803 1.00 0.00 C ATOM 379 CE LYS A 54 -10.004 10.697 0.756 1.00 0.00 C ATOM 380 NZ LYS A 54 -9.998 9.228 0.884 1.00 0.00 N ATOM 0 H LYS A 54 -4.962 10.912 -0.688 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.275 8.211 -0.543 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.529 8.777 0.386 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.273 9.814 1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.958 11.619 -0.559 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.225 10.582 -1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.158 11.127 1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.697 12.409 0.712 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.610 11.120 1.557 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.484 10.969 -0.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.970 8.888 1.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.611 8.805 0.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.408 8.953 1.695 1.00 0.00 H new ATOM 381 N ALA A 55 -7.007 9.465 -3.060 1.00 0.00 N ATOM 382 CA ALA A 55 -7.795 9.149 -4.242 1.00 0.00 C ATOM 383 C ALA A 55 -7.028 8.194 -5.153 1.00 0.00 C ATOM 384 O ALA A 55 -7.561 7.158 -5.554 1.00 0.00 O ATOM 385 CB ALA A 55 -8.148 10.444 -4.980 1.00 0.00 C ATOM 0 H ALA A 55 -6.736 10.447 -3.002 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.718 8.653 -3.940 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.738 10.209 -5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.725 11.093 -4.321 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.232 10.953 -5.279 1.00 0.00 H new ATOM 386 N MET A 56 -5.781 8.548 -5.481 1.00 0.00 N ATOM 387 CA MET A 56 -4.925 7.723 -6.322 1.00 0.00 C ATOM 388 C MET A 56 -4.796 6.359 -5.653 1.00 0.00 C ATOM 389 O MET A 56 -4.976 5.316 -6.282 1.00 0.00 O ATOM 390 CB MET A 56 -3.538 8.364 -6.473 1.00 0.00 C ATOM 391 CG MET A 56 -3.569 9.767 -7.091 1.00 0.00 C ATOM 392 SD MET A 56 -4.281 9.930 -8.747 1.00 0.00 S ATOM 393 CE MET A 56 -3.118 8.931 -9.704 1.00 0.00 C ATOM 0 H MET A 56 -5.343 9.414 -5.169 1.00 0.00 H new ATOM 0 HA MET A 56 -5.359 7.626 -7.317 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.065 8.419 -5.493 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.915 7.718 -7.092 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.126 10.419 -6.419 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.547 10.143 -7.125 1.00 0.00 H new ATOM 0 HE1 MET A 56 -3.354 9.015 -10.765 1.00 0.00 H new ATOM 0 HE2 MET A 56 -2.103 9.287 -9.528 1.00 0.00 H new ATOM 0 HE3 MET A 56 -3.195 7.888 -9.397 1.00 0.00 H new ATOM 394 N MET A 57 -4.519 6.400 -4.348 1.00 0.00 N ATOM 395 CA MET A 57 -4.365 5.215 -3.534 1.00 0.00 C ATOM 396 C MET A 57 -5.607 4.330 -3.653 1.00 0.00 C ATOM 397 O MET A 57 -5.505 3.197 -4.105 1.00 0.00 O ATOM 398 CB MET A 57 -4.043 5.653 -2.094 1.00 0.00 C ATOM 399 CG MET A 57 -2.524 5.640 -1.865 1.00 0.00 C ATOM 400 SD MET A 57 -1.721 4.061 -2.253 1.00 0.00 S ATOM 401 CE MET A 57 -2.715 2.911 -1.278 1.00 0.00 C ATOM 0 H MET A 57 -4.396 7.271 -3.831 1.00 0.00 H new ATOM 0 HA MET A 57 -3.534 4.599 -3.879 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.437 6.653 -1.913 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.531 4.985 -1.385 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.071 6.423 -2.473 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.324 5.889 -0.823 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.483 1.888 -1.575 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.489 3.042 -0.220 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.773 3.108 -1.450 1.00 0.00 H new ATOM 402 N THR A 58 -6.777 4.843 -3.280 1.00 0.00 N ATOM 403 CA THR A 58 -8.060 4.160 -3.374 1.00 0.00 C ATOM 404 C THR A 58 -8.220 3.536 -4.760 1.00 0.00 C ATOM 405 O THR A 58 -8.509 2.346 -4.865 1.00 0.00 O ATOM 406 CB THR A 58 -9.185 5.166 -3.074 1.00 0.00 C ATOM 407 OG1 THR A 58 -9.056 5.618 -1.740 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.576 4.549 -3.252 1.00 0.00 C ATOM 0 H THR A 58 -6.858 5.782 -2.889 1.00 0.00 H new ATOM 0 HA THR A 58 -8.111 3.353 -2.643 1.00 0.00 H new ATOM 0 HB THR A 58 -9.089 5.990 -3.781 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.353 6.300 -1.692 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.337 5.297 -3.029 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.693 4.207 -4.280 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.689 3.704 -2.573 1.00 0.00 H new ATOM 409 N ASN A 59 -8.016 4.325 -5.821 1.00 0.00 N ATOM 410 CA ASN A 59 -8.145 3.830 -7.189 1.00 0.00 C ATOM 411 C ASN A 59 -7.218 2.637 -7.424 1.00 0.00 C ATOM 412 O ASN A 59 -7.642 1.651 -8.021 1.00 0.00 O ATOM 413 CB ASN A 59 -7.854 4.941 -8.209 1.00 0.00 C ATOM 414 CG ASN A 59 -9.090 5.787 -8.497 1.00 0.00 C ATOM 415 OD1 ASN A 59 -9.792 5.558 -9.475 1.00 0.00 O ATOM 416 ND2 ASN A 59 -9.377 6.773 -7.655 1.00 0.00 N ATOM 0 H ASN A 59 -7.761 5.310 -5.754 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.175 3.501 -7.328 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.056 5.581 -7.831 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.494 4.497 -9.137 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.197 7.359 -7.816 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.778 6.945 -6.848 1.00 0.00 H new ATOM 417 N ALA A 60 -5.965 2.708 -6.964 1.00 0.00 N ATOM 418 CA ALA A 60 -5.026 1.611 -7.144 1.00 0.00 C ATOM 419 C ALA A 60 -5.510 0.386 -6.360 1.00 0.00 C ATOM 420 O ALA A 60 -5.742 -0.688 -6.912 1.00 0.00 O ATOM 421 CB ALA A 60 -3.635 2.063 -6.679 1.00 0.00 C ATOM 0 H ALA A 60 -5.584 3.513 -6.467 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.965 1.332 -8.196 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.924 1.247 -6.810 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.315 2.921 -7.270 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.676 2.342 -5.626 1.00 0.00 H new ATOM 422 N VAL A 61 -5.689 0.581 -5.056 1.00 0.00 N ATOM 423 CA VAL A 61 -6.125 -0.403 -4.081 1.00 0.00 C ATOM 424 C VAL A 61 -7.385 -1.143 -4.531 1.00 0.00 C ATOM 425 O VAL A 61 -7.491 -2.347 -4.296 1.00 0.00 O ATOM 426 CB VAL A 61 -6.302 0.325 -2.740 1.00 0.00 C ATOM 427 CG1 VAL A 61 -7.001 -0.494 -1.661 1.00 0.00 C ATOM 428 CG2 VAL A 61 -4.923 0.688 -2.190 1.00 0.00 C ATOM 0 H VAL A 61 -5.521 1.492 -4.629 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.375 -1.186 -3.972 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.927 1.191 -2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.082 0.099 -0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.998 -0.772 -2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.423 -1.396 -1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.036 1.206 -1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.339 -0.221 -2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.409 1.338 -2.898 1.00 0.00 H new ATOM 429 N LYS A 62 -8.323 -0.447 -5.182 1.00 0.00 N ATOM 430 CA LYS A 62 -9.573 -1.018 -5.673 1.00 0.00 C ATOM 431 C LYS A 62 -9.352 -2.323 -6.454 1.00 0.00 C ATOM 432 O LYS A 62 -10.228 -3.182 -6.480 1.00 0.00 O ATOM 433 CB LYS A 62 -10.282 0.020 -6.556 1.00 0.00 C ATOM 434 CG LYS A 62 -11.783 -0.245 -6.693 1.00 0.00 C ATOM 435 CD LYS A 62 -12.598 -0.030 -5.404 1.00 0.00 C ATOM 436 CE LYS A 62 -12.346 1.336 -4.747 1.00 0.00 C ATOM 437 NZ LYS A 62 -13.271 1.578 -3.627 1.00 0.00 N ATOM 0 H LYS A 62 -8.229 0.548 -5.384 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.194 -1.269 -4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.130 1.014 -6.134 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.826 0.021 -7.546 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.183 0.405 -7.471 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.927 -1.272 -7.030 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.659 -0.125 -5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.354 -0.818 -4.692 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.318 1.383 -4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.460 2.125 -5.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.303 2.596 -3.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.223 1.248 -3.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.941 1.061 -2.787 1.00 0.00 H new ATOM 438 N LYS A 63 -8.196 -2.460 -7.108 1.00 0.00 N ATOM 439 CA LYS A 63 -7.827 -3.644 -7.871 1.00 0.00 C ATOM 440 C LYS A 63 -7.830 -4.924 -7.020 1.00 0.00 C ATOM 441 O LYS A 63 -8.083 -6.010 -7.537 1.00 0.00 O ATOM 442 CB LYS A 63 -6.427 -3.395 -8.458 1.00 0.00 C ATOM 443 CG LYS A 63 -5.826 -4.644 -9.106 1.00 0.00 C ATOM 444 CD LYS A 63 -4.648 -4.251 -10.009 1.00 0.00 C ATOM 445 CE LYS A 63 -4.023 -5.468 -10.700 1.00 0.00 C ATOM 446 NZ LYS A 63 -3.388 -6.382 -9.734 1.00 0.00 N ATOM 0 H LYS A 63 -7.480 -1.734 -7.119 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.566 -3.804 -8.656 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.485 -2.598 -9.200 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.763 -3.046 -7.667 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.489 -5.337 -8.335 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.586 -5.162 -9.691 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.990 -3.542 -10.763 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.889 -3.742 -9.414 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.792 -6.004 -11.256 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.281 -5.133 -11.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.383 -6.499 -9.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.470 -5.986 -8.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.862 -7.307 -9.768 1.00 0.00 H new ATOM 447 N TYR A 64 -7.492 -4.810 -5.737 1.00 0.00 N ATOM 448 CA TYR A 64 -7.370 -5.897 -4.799 1.00 0.00 C ATOM 449 C TYR A 64 -8.668 -6.138 -4.032 1.00 0.00 C ATOM 450 O TYR A 64 -9.747 -5.646 -4.351 1.00 0.00 O ATOM 451 CB TYR A 64 -6.187 -5.526 -3.891 1.00 0.00 C ATOM 452 CG TYR A 64 -4.901 -5.254 -4.647 1.00 0.00 C ATOM 453 CD1 TYR A 64 -4.357 -6.215 -5.521 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.344 -3.968 -4.600 1.00 0.00 C ATOM 455 CE1 TYR A 64 -3.256 -5.886 -6.332 1.00 0.00 C ATOM 456 CE2 TYR A 64 -3.307 -3.619 -5.474 1.00 0.00 C ATOM 457 CZ TYR A 64 -2.739 -4.582 -6.323 1.00 0.00 C ATOM 458 OH TYR A 64 -1.742 -4.232 -7.184 1.00 0.00 O ATOM 0 H TYR A 64 -7.288 -3.905 -5.313 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.183 -6.847 -5.300 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.450 -4.643 -3.309 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.017 -6.336 -3.182 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.786 -7.205 -5.569 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.715 -3.245 -3.888 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.808 -6.639 -6.963 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.942 -2.603 -5.495 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.908 -4.670 -6.914 1.00 0.00 H new ATOM 459 N SER A 65 -8.531 -6.973 -3.015 1.00 0.00 N ATOM 460 CA SER A 65 -9.534 -7.453 -2.081 1.00 0.00 C ATOM 461 C SER A 65 -8.789 -8.000 -0.869 1.00 0.00 C ATOM 462 O SER A 65 -7.621 -8.354 -1.002 1.00 0.00 O ATOM 463 CB SER A 65 -10.371 -8.532 -2.765 1.00 0.00 C ATOM 464 OG SER A 65 -11.241 -7.940 -3.711 1.00 0.00 O ATOM 0 H SER A 65 -7.617 -7.373 -2.802 1.00 0.00 H new ATOM 0 HA SER A 65 -10.213 -6.662 -1.763 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.718 -9.252 -3.259 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.948 -9.082 -2.022 1.00 0.00 H new ATOM 0 HG SER A 65 -10.922 -7.039 -3.930 1.00 0.00 H new ATOM 465 N ASP A 66 -9.454 -8.040 0.286 1.00 0.00 N ATOM 466 CA ASP A 66 -8.964 -8.485 1.591 1.00 0.00 C ATOM 467 C ASP A 66 -7.759 -9.438 1.574 1.00 0.00 C ATOM 468 O ASP A 66 -6.786 -9.179 2.280 1.00 0.00 O ATOM 469 CB ASP A 66 -10.128 -9.110 2.381 1.00 0.00 C ATOM 470 CG ASP A 66 -10.621 -10.450 1.828 1.00 0.00 C ATOM 471 OD1 ASP A 66 -10.550 -10.630 0.590 1.00 0.00 O ATOM 472 OD2 ASP A 66 -11.050 -11.277 2.658 1.00 0.00 O ATOM 0 H ASP A 66 -10.427 -7.738 0.337 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.582 -7.586 2.076 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.815 -9.251 3.415 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.961 -8.407 2.393 1.00 0.00 H new ATOM 473 N GLU A 67 -7.821 -10.531 0.813 1.00 0.00 N ATOM 474 CA GLU A 67 -6.750 -11.524 0.736 1.00 0.00 C ATOM 475 C GLU A 67 -5.510 -10.921 0.068 1.00 0.00 C ATOM 476 O GLU A 67 -4.392 -11.020 0.575 1.00 0.00 O ATOM 477 CB GLU A 67 -7.285 -12.758 -0.011 1.00 0.00 C ATOM 478 CG GLU A 67 -6.296 -13.938 -0.072 1.00 0.00 C ATOM 479 CD GLU A 67 -5.239 -13.825 -1.172 1.00 0.00 C ATOM 480 OE1 GLU A 67 -5.528 -13.181 -2.202 1.00 0.00 O ATOM 481 OE2 GLU A 67 -4.145 -14.408 -0.994 1.00 0.00 O ATOM 0 H GLU A 67 -8.625 -10.754 0.226 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.439 -11.834 1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.202 -13.092 0.473 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.549 -12.467 -1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.792 -14.023 0.891 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.859 -14.860 -0.220 1.00 0.00 H new ATOM 482 N GLU A 68 -5.716 -10.290 -1.087 1.00 0.00 N ATOM 483 CA GLU A 68 -4.658 -9.648 -1.844 1.00 0.00 C ATOM 484 C GLU A 68 -4.083 -8.509 -0.997 1.00 0.00 C ATOM 485 O GLU A 68 -2.869 -8.336 -0.931 1.00 0.00 O ATOM 486 CB GLU A 68 -5.229 -9.121 -3.167 1.00 0.00 C ATOM 487 CG GLU A 68 -5.892 -10.176 -4.066 1.00 0.00 C ATOM 488 CD GLU A 68 -4.886 -10.949 -4.909 1.00 0.00 C ATOM 489 OE1 GLU A 68 -4.125 -11.743 -4.314 1.00 0.00 O ATOM 490 OE2 GLU A 68 -4.891 -10.732 -6.139 1.00 0.00 O ATOM 0 H GLU A 68 -6.635 -10.213 -1.523 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.862 -10.355 -2.077 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.962 -8.346 -2.943 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.424 -8.646 -3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.453 -10.875 -3.445 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.610 -9.687 -4.724 1.00 0.00 H new ATOM 491 N LEU A 69 -4.955 -7.741 -0.334 1.00 0.00 N ATOM 492 CA LEU A 69 -4.547 -6.641 0.525 1.00 0.00 C ATOM 493 C LEU A 69 -3.680 -7.178 1.667 1.00 0.00 C ATOM 494 O LEU A 69 -2.627 -6.615 1.961 1.00 0.00 O ATOM 495 CB LEU A 69 -5.783 -5.918 1.070 1.00 0.00 C ATOM 496 CG LEU A 69 -6.643 -5.215 0.013 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.840 -4.560 0.711 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.870 -4.140 -0.747 1.00 0.00 C ATOM 0 H LEU A 69 -5.965 -7.871 -0.383 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.960 -5.925 -0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.404 -6.641 1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.459 -5.179 1.803 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.962 -5.966 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.461 -4.056 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.428 -5.325 1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.483 -3.833 1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.524 -3.673 -1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.514 -3.384 -0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.019 -4.594 -1.254 1.00 0.00 H new ATOM 499 N LYS A 70 -4.110 -8.269 2.310 1.00 0.00 N ATOM 500 CA LYS A 70 -3.348 -8.876 3.390 1.00 0.00 C ATOM 501 C LYS A 70 -1.958 -9.253 2.881 1.00 0.00 C ATOM 502 O LYS A 70 -0.958 -8.956 3.533 1.00 0.00 O ATOM 503 CB LYS A 70 -4.075 -10.119 3.920 1.00 0.00 C ATOM 504 CG LYS A 70 -3.439 -10.621 5.221 1.00 0.00 C ATOM 505 CD LYS A 70 -4.267 -11.776 5.796 1.00 0.00 C ATOM 506 CE LYS A 70 -3.604 -12.382 7.039 1.00 0.00 C ATOM 507 NZ LYS A 70 -3.466 -11.398 8.128 1.00 0.00 N ATOM 0 H LYS A 70 -4.986 -8.746 2.095 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.250 -8.161 4.207 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.125 -9.883 4.093 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.045 -10.909 3.169 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.418 -10.953 5.032 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.381 -9.808 5.945 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.264 -11.417 6.053 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.392 -12.548 5.037 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.195 -13.229 7.388 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.620 -12.768 6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.124 -11.876 8.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.787 -10.662 7.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.390 -10.961 8.320 1.00 0.00 H new ATOM 508 N ALA A 71 -1.893 -9.898 1.712 1.00 0.00 N ATOM 509 CA ALA A 71 -0.626 -10.309 1.137 1.00 0.00 C ATOM 510 C ALA A 71 0.235 -9.086 0.848 1.00 0.00 C ATOM 511 O ALA A 71 1.431 -9.086 1.137 1.00 0.00 O ATOM 512 CB ALA A 71 -0.867 -11.111 -0.138 1.00 0.00 C ATOM 0 H ALA A 71 -2.709 -10.143 1.151 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.098 -10.943 1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.090 -11.415 -0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.458 -11.996 0.095 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.405 -10.495 -0.859 1.00 0.00 H new ATOM 513 N LEU A 72 -0.361 -8.035 0.280 1.00 0.00 N ATOM 514 CA LEU A 72 0.380 -6.831 -0.016 1.00 0.00 C ATOM 515 C LEU A 72 0.972 -6.246 1.253 1.00 0.00 C ATOM 516 O LEU A 72 2.155 -5.922 1.274 1.00 0.00 O ATOM 517 CB LEU A 72 -0.574 -5.823 -0.646 1.00 0.00 C ATOM 518 CG LEU A 72 -0.589 -6.074 -2.142 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.552 -5.113 -2.789 1.00 0.00 C ATOM 520 CD2 LEU A 72 0.785 -5.745 -2.694 1.00 0.00 C ATOM 0 H LEU A 72 -1.347 -8.004 0.022 1.00 0.00 H new ATOM 0 HA LEU A 72 1.196 -7.063 -0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.575 -5.933 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.250 -4.804 -0.432 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.869 -7.109 -2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.570 -5.285 -3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.550 -5.268 -2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.233 -4.090 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.796 -5.919 -3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.017 -4.699 -2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.531 -6.380 -2.216 1.00 0.00 H new ATOM 521 N ALA A 73 0.157 -6.085 2.299 1.00 0.00 N ATOM 522 CA ALA A 73 0.638 -5.516 3.545 1.00 0.00 C ATOM 523 C ALA A 73 1.730 -6.404 4.120 1.00 0.00 C ATOM 524 O ALA A 73 2.740 -5.889 4.586 1.00 0.00 O ATOM 525 CB ALA A 73 -0.494 -5.389 4.564 1.00 0.00 C ATOM 0 H ALA A 73 -0.830 -6.341 2.301 1.00 0.00 H new ATOM 0 HA ALA A 73 1.032 -4.521 3.337 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.106 -4.960 5.488 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.274 -4.741 4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.911 -6.375 4.769 1.00 0.00 H new ATOM 526 N ASP A 74 1.528 -7.726 4.112 1.00 0.00 N ATOM 527 CA ASP A 74 2.534 -8.657 4.602 1.00 0.00 C ATOM 528 C ASP A 74 3.848 -8.365 3.882 1.00 0.00 C ATOM 529 O ASP A 74 4.879 -8.196 4.534 1.00 0.00 O ATOM 530 CB ASP A 74 2.095 -10.106 4.375 1.00 0.00 C ATOM 531 CG ASP A 74 3.217 -11.067 4.752 1.00 0.00 C ATOM 532 OD1 ASP A 74 3.305 -11.395 5.954 1.00 0.00 O ATOM 533 OD2 ASP A 74 3.981 -11.436 3.833 1.00 0.00 O ATOM 0 H ASP A 74 0.675 -8.169 3.770 1.00 0.00 H new ATOM 0 HA ASP A 74 2.665 -8.527 5.676 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.208 -10.321 4.971 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.820 -10.250 3.330 1.00 0.00 H new ATOM 534 N TYR A 75 3.804 -8.267 2.546 1.00 0.00 N ATOM 535 CA TYR A 75 5.000 -7.963 1.783 1.00 0.00 C ATOM 536 C TYR A 75 5.541 -6.605 2.223 1.00 0.00 C ATOM 537 O TYR A 75 6.644 -6.563 2.753 1.00 0.00 O ATOM 538 CB TYR A 75 4.754 -8.024 0.275 1.00 0.00 C ATOM 539 CG TYR A 75 5.998 -7.648 -0.503 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.169 -8.406 -0.311 1.00 0.00 C ATOM 541 CD2 TYR A 75 6.070 -6.416 -1.181 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.413 -7.895 -0.708 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.309 -5.949 -1.655 1.00 0.00 C ATOM 544 CZ TYR A 75 8.487 -6.655 -1.359 1.00 0.00 C ATOM 545 OH TYR A 75 9.698 -6.103 -1.637 1.00 0.00 O ATOM 0 H TYR A 75 2.960 -8.394 1.987 1.00 0.00 H new ATOM 0 HA TYR A 75 5.751 -8.726 1.988 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.439 -9.030 -0.003 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.940 -7.350 0.010 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.109 -9.384 0.143 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.176 -5.831 -1.337 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.315 -8.457 -0.512 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.355 -5.047 -2.247 1.00 0.00 H new ATOM 0 HH TYR A 75 10.269 -6.149 -0.842 1.00 0.00 H new ATOM 546 N MET A 76 4.792 -5.508 2.044 1.00 0.00 N ATOM 547 CA MET A 76 5.240 -4.175 2.463 1.00 0.00 C ATOM 548 C MET A 76 5.804 -4.115 3.895 1.00 0.00 C ATOM 549 O MET A 76 6.651 -3.275 4.201 1.00 0.00 O ATOM 550 CB MET A 76 4.055 -3.215 2.397 1.00 0.00 C ATOM 551 CG MET A 76 3.797 -2.686 0.992 1.00 0.00 C ATOM 552 SD MET A 76 2.438 -1.493 0.932 1.00 0.00 S ATOM 553 CE MET A 76 1.039 -2.607 1.076 1.00 0.00 C ATOM 0 H MET A 76 3.869 -5.519 1.610 1.00 0.00 H new ATOM 0 HA MET A 76 6.048 -3.903 1.784 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.161 -3.724 2.758 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.236 -2.375 3.068 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.704 -2.216 0.613 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.571 -3.522 0.330 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.222 -2.248 0.450 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.333 -3.605 0.751 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.710 -2.646 2.115 1.00 0.00 H new ATOM 554 N SER A 77 5.302 -4.959 4.797 1.00 0.00 N ATOM 555 CA SER A 77 5.756 -4.974 6.181 1.00 0.00 C ATOM 556 C SER A 77 7.203 -5.449 6.315 1.00 0.00 C ATOM 557 O SER A 77 7.826 -5.175 7.338 1.00 0.00 O ATOM 558 CB SER A 77 4.824 -5.825 7.046 1.00 0.00 C ATOM 559 OG SER A 77 5.019 -5.518 8.419 1.00 0.00 O ATOM 0 H SER A 77 4.576 -5.644 4.588 1.00 0.00 H new ATOM 0 HA SER A 77 5.725 -3.945 6.538 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.787 -5.640 6.768 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.017 -6.883 6.871 1.00 0.00 H new ATOM 0 HG SER A 77 5.948 -5.241 8.564 1.00 0.00 H new ATOM 560 N LYS A 78 7.705 -6.207 5.341 1.00 0.00 N ATOM 561 CA LYS A 78 9.084 -6.681 5.301 1.00 0.00 C ATOM 562 C LYS A 78 9.846 -5.815 4.289 1.00 0.00 C ATOM 563 O LYS A 78 10.934 -5.322 4.573 1.00 0.00 O ATOM 564 CB LYS A 78 9.093 -8.167 4.916 1.00 0.00 C ATOM 565 CG LYS A 78 8.461 -9.010 6.035 1.00 0.00 C ATOM 566 CD LYS A 78 8.475 -10.513 5.714 1.00 0.00 C ATOM 567 CE LYS A 78 7.117 -11.029 5.219 1.00 0.00 C ATOM 568 NZ LYS A 78 6.667 -10.350 3.994 1.00 0.00 N ATOM 0 H LYS A 78 7.151 -6.514 4.542 1.00 0.00 H new ATOM 0 HA LYS A 78 9.571 -6.594 6.272 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.543 -8.312 3.986 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.116 -8.497 4.736 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.999 -8.835 6.966 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.433 -8.685 6.195 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.232 -10.711 4.955 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.766 -11.068 6.606 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.186 -12.101 5.032 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.372 -10.889 6.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.892 -10.892 3.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.332 -9.394 4.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.459 -10.283 3.323 1.00 0.00 H new ATOM 569 N LEU A 79 9.194 -5.611 3.145 1.00 0.00 N ATOM 570 CA LEU A 79 9.575 -4.857 1.965 1.00 0.00 C ATOM 571 C LEU A 79 10.911 -5.352 1.394 1.00 0.00 C ATOM 572 O LEU A 79 10.863 -6.378 0.677 1.00 0.00 O ATOM 573 CB LEU A 79 9.542 -3.350 2.281 1.00 0.00 C ATOM 574 CG LEU A 79 9.224 -2.407 1.099 1.00 0.00 C ATOM 575 CD1 LEU A 79 9.067 -3.076 -0.255 1.00 0.00 C ATOM 576 CD2 LEU A 79 7.952 -1.572 1.286 1.00 0.00 C ATOM 577 OXT LEU A 79 11.945 -4.687 1.623 1.00 0.00 O ATOM 0 H LEU A 79 8.271 -6.026 3.015 1.00 0.00 H new ATOM 0 HA LEU A 79 8.851 -5.025 1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.801 -3.181 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.510 -3.066 2.694 1.00 0.00 H new ATOM 0 HG LEU A 79 10.119 -1.784 1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.846 -2.322 -1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.992 -3.591 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.250 -3.797 -0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.801 -0.938 0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.095 -2.235 1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.054 -0.948 2.174 1.00 0.00 H new TER 578 LEU A 79 HETATM 579 FE HEM A 80 0.625 3.904 -2.234 1.00 6.41 FE HETATM 580 CHA HEM A 80 0.396 5.061 0.931 1.00 5.52 C HETATM 581 CHB HEM A 80 -0.217 0.761 -1.107 1.00 7.91 C HETATM 582 CHC HEM A 80 0.415 2.798 -5.466 1.00 6.02 C HETATM 583 CHD HEM A 80 1.197 7.113 -3.372 1.00 10.53 C HETATM 584 NA HEM A 80 0.317 3.048 -0.435 1.00 6.22 N HETATM 585 C1A HEM A 80 0.284 3.696 0.775 1.00 6.23 C HETATM 586 C2A HEM A 80 0.089 2.763 1.856 1.00 8.27 C HETATM 587 C3A HEM A 80 -0.142 1.557 1.291 1.00 7.07 C HETATM 588 C4A HEM A 80 -0.005 1.737 -0.144 1.00 9.92 C HETATM 589 CMA HEM A 80 -0.460 0.281 2.018 1.00 7.00 C HETATM 590 CAA HEM A 80 0.173 3.099 3.322 1.00 7.29 C HETATM 591 CBA HEM A 80 -0.828 4.145 3.839 1.00 11.15 C HETATM 592 CGA HEM A 80 -0.181 5.287 4.621 1.00 22.27 C HETATM 593 O1A HEM A 80 0.973 5.618 4.355 1.00 18.65 O HETATM 594 O2A HEM A 80 -0.853 5.845 5.484 1.00 17.21 O HETATM 595 NB HEM A 80 0.160 2.159 -3.105 1.00 4.54 N HETATM 596 C1B HEM A 80 -0.214 0.982 -2.483 1.00 10.91 C HETATM 597 C2B HEM A 80 -0.578 -0.002 -3.471 1.00 5.88 C HETATM 598 C3B HEM A 80 -0.185 0.494 -4.675 1.00 -0.05 C HETATM 599 C4B HEM A 80 0.151 1.880 -4.458 1.00 4.49 C HETATM 600 CMB HEM A 80 -1.179 -1.346 -3.159 1.00 4.31 C HETATM 601 CAB HEM A 80 -0.060 -0.233 -5.994 1.00 6.35 C HETATM 602 CBB HEM A 80 -1.341 -0.806 -6.592 1.00 6.48 C HETATM 603 NC HEM A 80 0.854 4.763 -4.043 1.00 3.58 N HETATM 604 C1C HEM A 80 0.725 4.137 -5.270 1.00 4.45 C HETATM 605 C2C HEM A 80 1.002 5.058 -6.339 1.00 5.77 C HETATM 606 C3C HEM A 80 1.367 6.234 -5.763 1.00 8.44 C HETATM 607 C4C HEM A 80 1.148 6.088 -4.327 1.00 11.13 C HETATM 608 CMC HEM A 80 0.959 4.686 -7.801 1.00 8.62 C HETATM 609 CAC HEM A 80 1.911 7.456 -6.462 1.00 3.39 C HETATM 610 CBC HEM A 80 0.822 8.261 -7.185 1.00 10.94 C HETATM 611 ND HEM A 80 0.761 5.719 -1.398 1.00 4.28 N HETATM 612 C1D HEM A 80 0.990 6.944 -1.999 1.00 5.02 C HETATM 613 C2D HEM A 80 1.005 7.995 -0.979 1.00 3.97 C HETATM 614 C3D HEM A 80 0.851 7.375 0.228 1.00 5.11 C HETATM 615 C4D HEM A 80 0.650 5.987 -0.056 1.00 9.05 C HETATM 616 CMD HEM A 80 1.180 9.468 -1.244 1.00 5.28 C HETATM 617 CAD HEM A 80 0.850 7.916 1.648 1.00 9.04 C HETATM 618 CBD HEM A 80 -0.521 8.378 2.138 1.00 6.36 C HETATM 619 CGD HEM A 80 -0.866 9.747 1.587 1.00 6.46 C HETATM 620 O1D HEM A 80 -1.547 9.826 0.567 1.00 8.25 O HETATM 621 O2D HEM A 80 -0.477 10.726 2.217 1.00 15.15 O HETATM 0 HMA1 HEM A 80 -1.076 -0.356 1.383 1.00 7.00 H new HETATM 0 HMA2 HEM A 80 -1.002 0.510 2.936 1.00 7.00 H new HETATM 0 HMA3 HEM A 80 0.466 -0.238 2.264 1.00 7.00 H new HETATM 0 HMB1 HEM A 80 -1.823 -1.657 -3.982 1.00 4.31 H new HETATM 0 HMB2 HEM A 80 -1.767 -1.278 -2.244 1.00 4.31 H new HETATM 0 HMB3 HEM A 80 -0.383 -2.078 -3.025 1.00 4.31 H new HETATM 0 HMC1 HEM A 80 0.675 5.558 -8.390 1.00 8.62 H new HETATM 0 HMC2 HEM A 80 0.228 3.892 -7.953 1.00 8.62 H new HETATM 0 HMC3 HEM A 80 1.943 4.339 -8.117 1.00 8.62 H new HETATM 0 HMD1 HEM A 80 1.794 9.607 -2.134 1.00 5.28 H new HETATM 0 HMD2 HEM A 80 1.669 9.936 -0.389 1.00 5.28 H new HETATM 0 HMD3 HEM A 80 0.204 9.928 -1.400 1.00 5.28 H new HETATM 0 HBB1 HEM A 80 -1.308 -1.340 -7.542 1.00 6.48 H new HETATM 0 HBB2 HEM A 80 -2.290 -0.682 -6.070 1.00 6.48 H new HETATM 0 HBC1 HEM A 80 1.085 9.168 -7.729 1.00 10.94 H new HETATM 0 HBC2 HEM A 80 -0.215 7.926 -7.154 1.00 10.94 H new HETATM 0 HBA1 HEM A 80 -1.559 3.649 4.477 1.00 11.15 H new HETATM 0 HBA2 HEM A 80 -1.374 4.561 2.992 1.00 11.15 H new HETATM 0 HAA1 HEM A 80 1.181 3.456 3.534 1.00 7.29 H new HETATM 0 HAA2 HEM A 80 0.033 2.181 3.892 1.00 7.29 H new HETATM 0 HBD1 HEM A 80 -0.530 8.409 3.228 1.00 6.36 H new HETATM 0 HBD2 HEM A 80 -1.281 7.658 1.833 1.00 6.36 H new HETATM 0 HAD1 HEM A 80 1.546 8.753 1.707 1.00 9.04 H new HETATM 0 HAD2 HEM A 80 1.223 7.143 2.320 1.00 9.04 H new HETATM 0 HHA HEM A 80 0.271 5.445 1.933 1.00 5.52 H new HETATM 0 HHB HEM A 80 -0.398 -0.247 -0.764 1.00 7.91 H new HETATM 0 HHC HEM A 80 0.376 2.441 -6.485 1.00 6.02 H new HETATM 0 HHD HEM A 80 1.411 8.111 -3.724 1.00 10.53 H new HETATM 0 HAB HEM A 80 0.902 -0.343 -6.495 1.00 6.35 H new HETATM 0 HAC HEM A 80 2.964 7.737 -6.454 1.00 3.39 H new