USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=33 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 54 LYS NZ :NH3+ -110:sc=-0.00394 (180deg=-1.01) USER MOD Set 1.2: A 58 THR OG1 : rot -74:sc= 1.1 USER MOD Set 2.1: A 38 TYR OH : rot 15:sc= 1.89 USER MOD Set 2.2: A 42 LYS NZ :NH3+ -159:sc= 0.671 (180deg=-0.322) USER MOD Set 3.1: A 41 MET CE :methyl -168:sc= -1.15 (180deg=-1.67) USER MOD Set 3.2: A 76 MET CE :methyl -151:sc= -1.31 (180deg=-2.68!) USER MOD Set 3.3: A 80 HEM CMA :methyl -30:sc= -2.77 (180deg=-2.83) USER MOD Set 4.1: A 40 LYS NZ :NH3+ -153:sc= 1.19 (180deg=-0.0468) USER MOD Set 4.2: A 49 TYR OH : rot -174:sc= 1.91 USER MOD Set 5.1: A 9 SER OG : rot -73:sc= 1.22 USER MOD Set 5.2: A 64 TYR OH : rot -101:sc= 1.14 USER MOD Single : A 1 ALA N :NH3+ -128:sc= 1.68 (180deg=-1.04) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.124 USER MOD Single : A 8 LYS NZ :NH3+ 176:sc=-0.00286 (180deg=-0.0382) USER MOD Single : A 19 SER OG : rot 64:sc= 1.06 USER MOD Single : A 20 LYS NZ :NH3+ 171:sc=-0.00776 (180deg=-0.12) USER MOD Single : A 23 MET CE :methyl -166:sc= -0.0746 (180deg=-0.323) USER MOD Single : A 25 SER OG : rot -79:sc= 0.992 USER MOD Single : A 27 LYS NZ :NH3+ -140:sc= 1.01 (180deg=0.0654) USER MOD Single : A 30 LYS NZ :NH3+ 171:sc= 0.806 (180deg=0.783) USER MOD Single : A 32 GLN : amide:sc= -0.0841 K(o=-0.084,f=-5.8!) USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.062) USER MOD Single : A 44 TYR OH : rot 159:sc= 0.894 USER MOD Single : A 48 SER OG : rot -49:sc= 0.652 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 165:sc= -3 (180deg=-5.09) USER MOD Single : A 59 ASN : amide:sc= 0.369 X(o=0.37,f=-0.0092) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0539) USER MOD Single : A 65 SER OG : rot 180:sc= -0.158 USER MOD Single : A 70 LYS NZ :NH3+ -122:sc= 0.699 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -157:sc= 0.281 USER MOD Single : A 78 LYS NZ :NH3+ -165:sc= 0.967 (180deg=0.817) USER MOD Single : A 80 HEM CMB :methyl -30:sc= -1.85 (180deg=-2.7) USER MOD Single : A 80 HEM CMC :methyl -30:sc= -3.97! (180deg=-5.41!) USER MOD Single : A 80 HEM CMD :methyl -30:sc= -0.327 (180deg=-3.72!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.664 -13.548 -3.531 1.00 0.00 N ATOM 2 CA ALA A 1 -1.477 -13.915 -4.323 1.00 0.00 C ATOM 3 C ALA A 1 -0.248 -13.316 -3.637 1.00 0.00 C ATOM 4 O ALA A 1 -0.424 -12.714 -2.582 1.00 0.00 O ATOM 5 CB ALA A 1 -1.617 -13.445 -5.775 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.215 -14.403 -3.315 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.363 -13.097 -2.643 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.252 -12.885 -4.074 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.370 -14.999 -4.367 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.727 -13.729 -6.337 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.494 -13.910 -6.225 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.730 -12.361 -5.797 1.00 0.00 H new ATOM 6 N ASP A 2 0.953 -13.477 -4.200 1.00 0.00 N ATOM 7 CA ASP A 2 2.191 -12.976 -3.609 1.00 0.00 C ATOM 8 C ASP A 2 2.211 -11.448 -3.497 1.00 0.00 C ATOM 9 O ASP A 2 2.138 -10.741 -4.504 1.00 0.00 O ATOM 10 CB ASP A 2 3.382 -13.450 -4.455 1.00 0.00 C ATOM 11 CG ASP A 2 4.710 -12.816 -4.039 1.00 0.00 C ATOM 12 OD1 ASP A 2 4.824 -12.393 -2.866 1.00 0.00 O ATOM 13 OD2 ASP A 2 5.588 -12.748 -4.923 1.00 0.00 O ATOM 0 H ASP A 2 1.091 -13.963 -5.086 1.00 0.00 H new ATOM 0 HA ASP A 2 2.259 -13.373 -2.596 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.465 -14.534 -4.378 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.189 -13.219 -5.503 1.00 0.00 H new ATOM 14 N GLY A 3 2.374 -10.942 -2.272 1.00 0.00 N ATOM 15 CA GLY A 3 2.464 -9.523 -1.998 1.00 0.00 C ATOM 16 C GLY A 3 3.571 -8.883 -2.833 1.00 0.00 C ATOM 17 O GLY A 3 3.370 -7.825 -3.416 1.00 0.00 O ATOM 0 H GLY A 3 2.447 -11.523 -1.437 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.511 -9.043 -2.219 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.662 -9.364 -0.938 1.00 0.00 H new ATOM 18 N ALA A 4 4.733 -9.528 -2.947 1.00 0.00 N ATOM 19 CA ALA A 4 5.821 -8.958 -3.731 1.00 0.00 C ATOM 20 C ALA A 4 5.451 -8.807 -5.209 1.00 0.00 C ATOM 21 O ALA A 4 6.036 -7.972 -5.893 1.00 0.00 O ATOM 22 CB ALA A 4 7.078 -9.819 -3.583 1.00 0.00 C ATOM 0 H ALA A 4 4.940 -10.428 -2.514 1.00 0.00 H new ATOM 0 HA ALA A 4 6.017 -7.958 -3.344 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.887 -9.386 -4.172 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.372 -9.856 -2.534 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.871 -10.829 -3.937 1.00 0.00 H new ATOM 23 N ALA A 5 4.491 -9.592 -5.709 1.00 0.00 N ATOM 24 CA ALA A 5 4.077 -9.503 -7.096 1.00 0.00 C ATOM 25 C ALA A 5 3.018 -8.416 -7.205 1.00 0.00 C ATOM 26 O ALA A 5 3.108 -7.540 -8.060 1.00 0.00 O ATOM 27 CB ALA A 5 3.543 -10.856 -7.574 1.00 0.00 C ATOM 0 H ALA A 5 3.991 -10.295 -5.165 1.00 0.00 H new ATOM 0 HA ALA A 5 4.923 -9.246 -7.734 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.235 -10.778 -8.617 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.326 -11.609 -7.482 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.688 -11.146 -6.964 1.00 0.00 H new ATOM 28 N LEU A 6 2.025 -8.443 -6.312 1.00 0.00 N ATOM 29 CA LEU A 6 0.953 -7.479 -6.312 1.00 0.00 C ATOM 30 C LEU A 6 1.531 -6.068 -6.167 1.00 0.00 C ATOM 31 O LEU A 6 1.137 -5.161 -6.907 1.00 0.00 O ATOM 32 CB LEU A 6 0.006 -7.861 -5.171 1.00 0.00 C ATOM 33 CG LEU A 6 -0.680 -9.228 -5.355 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.228 -9.691 -4.001 1.00 0.00 C ATOM 35 CD2 LEU A 6 -1.816 -9.160 -6.379 1.00 0.00 C ATOM 0 H LEU A 6 1.954 -9.141 -5.572 1.00 0.00 H new ATOM 0 HA LEU A 6 0.393 -7.482 -7.247 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.566 -7.870 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.760 -7.092 -5.076 1.00 0.00 H new ATOM 0 HG LEU A 6 0.057 -9.937 -5.731 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.716 -10.658 -4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.408 -9.782 -3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.950 -8.962 -3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.274 -10.144 -6.480 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.566 -8.443 -6.044 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.418 -8.844 -7.343 1.00 0.00 H new ATOM 36 N TYR A 7 2.512 -5.880 -5.268 1.00 0.00 N ATOM 37 CA TYR A 7 3.077 -4.560 -5.056 1.00 0.00 C ATOM 38 C TYR A 7 3.816 -3.995 -6.274 1.00 0.00 C ATOM 39 O TYR A 7 4.115 -2.802 -6.280 1.00 0.00 O ATOM 40 CB TYR A 7 3.955 -4.559 -3.794 1.00 0.00 C ATOM 41 CG TYR A 7 3.955 -3.231 -3.054 1.00 0.00 C ATOM 42 CD1 TYR A 7 2.732 -2.652 -2.664 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.157 -2.611 -2.667 1.00 0.00 C ATOM 44 CE1 TYR A 7 2.702 -1.390 -2.063 1.00 0.00 C ATOM 45 CE2 TYR A 7 5.121 -1.407 -1.941 1.00 0.00 C ATOM 46 CZ TYR A 7 3.903 -0.730 -1.769 1.00 0.00 C ATOM 47 OH TYR A 7 3.887 0.517 -1.223 1.00 0.00 O ATOM 0 H TYR A 7 2.916 -6.618 -4.692 1.00 0.00 H new ATOM 0 HA TYR A 7 2.240 -3.879 -4.905 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.608 -5.341 -3.119 1.00 0.00 H new ATOM 0 HB3 TYR A 7 4.978 -4.810 -4.073 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.809 -3.188 -2.831 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.105 -3.058 -2.927 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.756 -0.925 -1.826 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.029 -1.004 -1.517 1.00 0.00 H new ATOM 0 HH TYR A 7 4.807 0.825 -1.084 1.00 0.00 H new ATOM 48 N LYS A 8 4.088 -4.788 -7.321 1.00 0.00 N ATOM 49 CA LYS A 8 4.758 -4.265 -8.513 1.00 0.00 C ATOM 50 C LYS A 8 3.991 -3.055 -9.069 1.00 0.00 C ATOM 51 O LYS A 8 4.597 -2.085 -9.516 1.00 0.00 O ATOM 52 CB LYS A 8 4.884 -5.354 -9.584 1.00 0.00 C ATOM 53 CG LYS A 8 5.884 -6.437 -9.157 1.00 0.00 C ATOM 54 CD LYS A 8 5.881 -7.638 -10.115 1.00 0.00 C ATOM 55 CE LYS A 8 6.224 -7.277 -11.566 1.00 0.00 C ATOM 56 NZ LYS A 8 7.525 -6.593 -11.675 1.00 0.00 N ATOM 0 H LYS A 8 3.857 -5.780 -7.364 1.00 0.00 H new ATOM 0 HA LYS A 8 5.760 -3.944 -8.231 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.909 -5.806 -9.764 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.207 -4.908 -10.525 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.886 -6.009 -9.116 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.642 -6.777 -8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.596 -8.378 -9.756 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.898 -8.107 -10.090 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.240 -8.184 -12.171 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.443 -6.636 -11.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.748 -6.428 -12.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.481 -5.682 -11.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.266 -7.186 -11.249 1.00 0.00 H new ATOM 57 N SER A 9 2.656 -3.094 -9.012 1.00 0.00 N ATOM 58 CA SER A 9 1.808 -2.004 -9.490 1.00 0.00 C ATOM 59 C SER A 9 2.008 -0.701 -8.704 1.00 0.00 C ATOM 60 O SER A 9 1.705 0.382 -9.199 1.00 0.00 O ATOM 61 CB SER A 9 0.337 -2.428 -9.374 1.00 0.00 C ATOM 62 OG SER A 9 -0.003 -2.881 -8.071 1.00 0.00 O ATOM 0 H SER A 9 2.135 -3.884 -8.632 1.00 0.00 H new ATOM 0 HA SER A 9 2.088 -1.808 -10.525 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.302 -1.585 -9.639 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.134 -3.221 -10.094 1.00 0.00 H new ATOM 0 HG SER A 9 0.395 -3.763 -7.917 1.00 0.00 H new ATOM 63 N CYS A 10 2.503 -0.816 -7.475 1.00 0.00 N ATOM 64 CA CYS A 10 2.688 0.247 -6.504 1.00 0.00 C ATOM 65 C CYS A 10 4.124 0.750 -6.496 1.00 0.00 C ATOM 66 O CYS A 10 4.382 1.939 -6.289 1.00 0.00 O ATOM 67 CB CYS A 10 2.331 -0.349 -5.138 1.00 0.00 C ATOM 68 SG CYS A 10 0.952 -1.542 -5.138 1.00 0.00 S ATOM 0 H CYS A 10 2.805 -1.719 -7.110 1.00 0.00 H new ATOM 0 HA CYS A 10 2.058 1.101 -6.750 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.215 -0.842 -4.734 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.083 0.467 -4.459 1.00 0.00 H new ATOM 69 N ILE A 11 5.058 -0.175 -6.730 1.00 0.00 N ATOM 70 CA ILE A 11 6.493 0.059 -6.757 1.00 0.00 C ATOM 71 C ILE A 11 6.839 1.304 -7.580 1.00 0.00 C ATOM 72 O ILE A 11 7.756 2.039 -7.226 1.00 0.00 O ATOM 73 CB ILE A 11 7.199 -1.228 -7.250 1.00 0.00 C ATOM 74 CG1 ILE A 11 8.410 -1.545 -6.367 1.00 0.00 C ATOM 75 CG2 ILE A 11 7.676 -1.151 -8.709 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.997 -2.098 -4.997 1.00 0.00 C ATOM 0 H ILE A 11 4.818 -1.149 -6.913 1.00 0.00 H new ATOM 0 HA ILE A 11 6.859 0.274 -5.753 1.00 0.00 H new ATOM 0 HB ILE A 11 6.447 -2.014 -7.186 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.047 -2.270 -6.873 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.004 -0.641 -6.229 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.161 -2.088 -8.983 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.821 -0.980 -9.363 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.385 -0.331 -8.817 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.888 -2.308 -4.406 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.382 -1.363 -4.478 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.427 -3.017 -5.132 1.00 0.00 H new ATOM 77 N GLY A 12 6.095 1.559 -8.660 1.00 0.00 N ATOM 78 CA GLY A 12 6.303 2.715 -9.516 1.00 0.00 C ATOM 79 C GLY A 12 6.240 4.041 -8.751 1.00 0.00 C ATOM 80 O GLY A 12 6.986 4.961 -9.075 1.00 0.00 O ATOM 0 H GLY A 12 5.327 0.960 -8.962 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.273 2.629 -10.005 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.549 2.719 -10.303 1.00 0.00 H new ATOM 81 N CYS A 13 5.356 4.153 -7.750 1.00 0.00 N ATOM 82 CA CYS A 13 5.199 5.379 -6.970 1.00 0.00 C ATOM 83 C CYS A 13 6.023 5.341 -5.685 1.00 0.00 C ATOM 84 O CYS A 13 6.634 6.334 -5.302 1.00 0.00 O ATOM 85 CB CYS A 13 3.731 5.590 -6.582 1.00 0.00 C ATOM 86 SG CYS A 13 3.335 7.294 -6.161 1.00 0.00 S ATOM 0 H CYS A 13 4.734 3.397 -7.462 1.00 0.00 H new ATOM 0 HA CYS A 13 5.548 6.196 -7.601 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.096 5.272 -7.409 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.493 4.950 -5.733 1.00 0.00 H new ATOM 87 N HIS A 14 6.022 4.190 -5.009 1.00 0.00 N ATOM 88 CA HIS A 14 6.644 3.938 -3.741 1.00 0.00 C ATOM 89 C HIS A 14 8.156 3.684 -3.771 1.00 0.00 C ATOM 90 O HIS A 14 8.857 3.997 -2.805 1.00 0.00 O ATOM 91 CB HIS A 14 5.867 2.714 -3.265 1.00 0.00 C ATOM 92 CG HIS A 14 4.531 3.087 -2.690 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.423 3.672 -1.442 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.248 3.033 -3.181 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.141 4.022 -1.282 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.354 3.558 -2.255 1.00 0.00 N ATOM 0 H HIS A 14 5.549 3.363 -5.373 1.00 0.00 H new ATOM 0 HA HIS A 14 6.596 4.811 -3.089 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.724 2.028 -4.100 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.451 2.184 -2.513 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.178 3.811 -0.770 1.00 0.00 H new ATOM 0 HD2 HIS A 14 2.974 2.639 -4.148 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.782 4.616 -0.455 1.00 0.00 H new ATOM 97 N GLY A 15 8.659 3.099 -4.856 1.00 0.00 N ATOM 98 CA GLY A 15 10.058 2.742 -5.003 1.00 0.00 C ATOM 99 C GLY A 15 10.246 1.269 -4.636 1.00 0.00 C ATOM 100 O GLY A 15 9.442 0.698 -3.900 1.00 0.00 O ATOM 0 H GLY A 15 8.091 2.858 -5.669 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.384 2.918 -6.028 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.675 3.370 -4.360 1.00 0.00 H new ATOM 101 N ALA A 16 11.322 0.650 -5.134 1.00 0.00 N ATOM 102 CA ALA A 16 11.655 -0.757 -4.899 1.00 0.00 C ATOM 103 C ALA A 16 11.618 -1.136 -3.415 1.00 0.00 C ATOM 104 O ALA A 16 11.204 -2.236 -3.055 1.00 0.00 O ATOM 105 CB ALA A 16 13.049 -1.031 -5.470 1.00 0.00 C ATOM 0 H ALA A 16 12.002 1.127 -5.726 1.00 0.00 H new ATOM 0 HA ALA A 16 10.902 -1.368 -5.397 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.312 -2.076 -5.303 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.051 -0.823 -6.540 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.778 -0.390 -4.974 1.00 0.00 H new ATOM 106 N ASP A 17 12.064 -0.212 -2.564 1.00 0.00 N ATOM 107 CA ASP A 17 12.176 -0.305 -1.137 1.00 0.00 C ATOM 108 C ASP A 17 11.027 0.397 -0.418 1.00 0.00 C ATOM 109 O ASP A 17 11.145 0.637 0.777 1.00 0.00 O ATOM 110 CB ASP A 17 13.511 0.349 -0.736 1.00 0.00 C ATOM 111 CG ASP A 17 13.589 1.850 -1.046 1.00 0.00 C ATOM 112 OD1 ASP A 17 12.596 2.401 -1.578 1.00 0.00 O ATOM 113 OD2 ASP A 17 14.656 2.428 -0.754 1.00 0.00 O ATOM 0 H ASP A 17 12.381 0.697 -2.903 1.00 0.00 H new ATOM 0 HA ASP A 17 12.136 -1.355 -0.846 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.670 0.200 0.332 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.324 -0.161 -1.253 1.00 0.00 H new ATOM 114 N GLY A 18 9.970 0.804 -1.132 1.00 0.00 N ATOM 115 CA GLY A 18 8.829 1.539 -0.595 1.00 0.00 C ATOM 116 C GLY A 18 9.227 2.678 0.345 1.00 0.00 C ATOM 117 O GLY A 18 8.488 2.991 1.281 1.00 0.00 O ATOM 0 H GLY A 18 9.887 0.622 -2.132 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.247 1.947 -1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.180 0.846 -0.060 1.00 0.00 H new ATOM 118 N SER A 19 10.390 3.289 0.094 1.00 0.00 N ATOM 119 CA SER A 19 10.916 4.387 0.890 1.00 0.00 C ATOM 120 C SER A 19 11.076 5.652 0.051 1.00 0.00 C ATOM 121 O SER A 19 11.388 6.704 0.606 1.00 0.00 O ATOM 122 CB SER A 19 12.251 3.978 1.515 1.00 0.00 C ATOM 123 OG SER A 19 12.083 2.798 2.278 1.00 0.00 O ATOM 0 H SER A 19 10.997 3.025 -0.682 1.00 0.00 H new ATOM 0 HA SER A 19 10.205 4.610 1.685 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.993 3.814 0.734 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.627 4.781 2.149 1.00 0.00 H new ATOM 0 HG SER A 19 11.829 2.059 1.686 1.00 0.00 H new ATOM 124 N LYS A 20 10.855 5.591 -1.269 1.00 0.00 N ATOM 125 CA LYS A 20 10.964 6.770 -2.115 1.00 0.00 C ATOM 126 C LYS A 20 9.627 7.504 -2.010 1.00 0.00 C ATOM 127 O LYS A 20 8.867 7.553 -2.972 1.00 0.00 O ATOM 128 CB LYS A 20 11.317 6.355 -3.552 1.00 0.00 C ATOM 129 CG LYS A 20 12.568 5.465 -3.643 1.00 0.00 C ATOM 130 CD LYS A 20 13.824 6.136 -3.068 1.00 0.00 C ATOM 131 CE LYS A 20 15.058 5.234 -3.194 1.00 0.00 C ATOM 132 NZ LYS A 20 15.428 4.988 -4.599 1.00 0.00 N ATOM 0 H LYS A 20 10.601 4.737 -1.766 1.00 0.00 H new ATOM 0 HA LYS A 20 11.765 7.438 -1.798 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.470 5.824 -3.987 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.474 7.251 -4.153 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.384 4.533 -3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.747 5.205 -4.686 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.006 7.076 -3.590 1.00 0.00 H new ATOM 0 HD3 LYS A 20 13.658 6.381 -2.019 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.898 5.696 -2.675 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.862 4.282 -2.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.348 4.505 -4.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.705 4.391 -5.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.493 5.894 -5.105 1.00 0.00 H new ATOM 133 N ALA A 21 9.367 8.029 -0.803 1.00 0.00 N ATOM 134 CA ALA A 21 8.181 8.748 -0.348 1.00 0.00 C ATOM 135 C ALA A 21 7.252 9.161 -1.488 1.00 0.00 C ATOM 136 O ALA A 21 7.416 10.226 -2.080 1.00 0.00 O ATOM 137 CB ALA A 21 8.612 9.963 0.480 1.00 0.00 C ATOM 0 H ALA A 21 10.053 7.949 -0.052 1.00 0.00 H new ATOM 0 HA ALA A 21 7.600 8.065 0.271 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.729 10.502 0.822 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.189 9.629 1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.225 10.623 -0.134 1.00 0.00 H new ATOM 138 N ALA A 22 6.267 8.302 -1.772 1.00 0.00 N ATOM 139 CA ALA A 22 5.298 8.493 -2.831 1.00 0.00 C ATOM 140 C ALA A 22 4.725 9.907 -2.827 1.00 0.00 C ATOM 141 O ALA A 22 4.335 10.372 -1.765 1.00 0.00 O ATOM 142 CB ALA A 22 4.229 7.418 -2.705 1.00 0.00 C ATOM 0 H ALA A 22 6.127 7.436 -1.252 1.00 0.00 H new ATOM 0 HA ALA A 22 5.784 8.388 -3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.489 7.546 -3.495 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.690 6.434 -2.795 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.741 7.502 -1.734 1.00 0.00 H new ATOM 143 N MET A 23 4.670 10.534 -4.013 1.00 0.00 N ATOM 144 CA MET A 23 4.247 11.895 -4.368 1.00 0.00 C ATOM 145 C MET A 23 3.539 12.718 -3.280 1.00 0.00 C ATOM 146 O MET A 23 3.904 13.872 -3.069 1.00 0.00 O ATOM 147 CB MET A 23 3.429 11.855 -5.668 1.00 0.00 C ATOM 148 CG MET A 23 2.035 11.229 -5.543 1.00 0.00 C ATOM 149 SD MET A 23 1.142 10.977 -7.100 1.00 0.00 S ATOM 150 CE MET A 23 1.463 12.526 -7.974 1.00 0.00 C ATOM 0 H MET A 23 4.959 10.031 -4.852 1.00 0.00 H new ATOM 0 HA MET A 23 5.178 12.446 -4.505 1.00 0.00 H new ATOM 0 HB2 MET A 23 3.320 12.873 -6.042 1.00 0.00 H new ATOM 0 HB3 MET A 23 3.994 11.299 -6.417 1.00 0.00 H new ATOM 0 HG2 MET A 23 2.133 10.266 -5.042 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.429 11.864 -4.897 1.00 0.00 H new ATOM 0 HE1 MET A 23 0.783 12.613 -8.822 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.307 13.365 -7.296 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.492 12.535 -8.332 1.00 0.00 H new ATOM 151 N GLY A 24 2.498 12.183 -2.636 1.00 0.00 N ATOM 152 CA GLY A 24 1.786 12.873 -1.567 1.00 0.00 C ATOM 153 C GLY A 24 2.765 13.338 -0.488 1.00 0.00 C ATOM 154 O GLY A 24 2.667 14.461 0.003 1.00 0.00 O ATOM 0 H GLY A 24 2.127 11.256 -2.845 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.249 13.730 -1.973 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.041 12.208 -1.129 1.00 0.00 H new ATOM 155 N SER A 25 3.700 12.439 -0.170 1.00 0.00 N ATOM 156 CA SER A 25 4.830 12.435 0.752 1.00 0.00 C ATOM 157 C SER A 25 4.708 11.173 1.611 1.00 0.00 C ATOM 158 O SER A 25 4.719 11.263 2.837 1.00 0.00 O ATOM 159 CB SER A 25 4.943 13.723 1.593 1.00 0.00 C ATOM 160 OG SER A 25 3.787 14.004 2.360 1.00 0.00 O ATOM 0 H SER A 25 3.667 11.537 -0.645 1.00 0.00 H new ATOM 0 HA SER A 25 5.762 12.419 0.187 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.800 13.636 2.261 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.141 14.564 0.929 1.00 0.00 H new ATOM 0 HG SER A 25 3.101 14.401 1.784 1.00 0.00 H new ATOM 161 N ALA A 26 4.614 9.974 1.003 1.00 0.00 N ATOM 162 CA ALA A 26 4.425 8.800 1.835 1.00 0.00 C ATOM 163 C ALA A 26 5.533 8.571 2.851 1.00 0.00 C ATOM 164 O ALA A 26 6.696 8.409 2.490 1.00 0.00 O ATOM 165 CB ALA A 26 4.256 7.540 0.990 1.00 0.00 C ATOM 0 H ALA A 26 4.664 9.809 -0.002 1.00 0.00 H new ATOM 0 HA ALA A 26 3.512 9.004 2.395 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.117 6.679 1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.385 7.649 0.344 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.145 7.390 0.378 1.00 0.00 H new ATOM 166 N LYS A 27 5.154 8.545 4.131 1.00 0.00 N ATOM 167 CA LYS A 27 6.059 8.208 5.211 1.00 0.00 C ATOM 168 C LYS A 27 6.497 6.791 4.819 1.00 0.00 C ATOM 169 O LYS A 27 5.596 5.962 4.644 1.00 0.00 O ATOM 170 CB LYS A 27 5.322 8.228 6.562 1.00 0.00 C ATOM 171 CG LYS A 27 4.443 9.477 6.772 1.00 0.00 C ATOM 172 CD LYS A 27 2.956 9.131 6.977 1.00 0.00 C ATOM 173 CE LYS A 27 2.282 8.498 5.749 1.00 0.00 C ATOM 174 NZ LYS A 27 0.878 8.144 6.022 1.00 0.00 N ATOM 0 H LYS A 27 4.206 8.759 4.439 1.00 0.00 H new ATOM 0 HA LYS A 27 6.893 8.899 5.337 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.697 7.338 6.638 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.055 8.172 7.366 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.806 10.030 7.639 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.543 10.136 5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.867 8.446 7.820 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.417 10.039 7.246 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.326 9.193 4.911 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.832 7.605 5.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.659 7.228 5.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.730 8.077 7.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.253 8.876 5.629 1.00 0.00 H new ATOM 175 N PRO A 28 7.805 6.533 4.606 1.00 0.00 N ATOM 176 CA PRO A 28 8.338 5.264 4.133 1.00 0.00 C ATOM 177 C PRO A 28 7.451 4.081 4.491 1.00 0.00 C ATOM 178 O PRO A 28 7.311 3.722 5.657 1.00 0.00 O ATOM 179 CB PRO A 28 9.734 5.150 4.719 1.00 0.00 C ATOM 180 CG PRO A 28 10.192 6.610 4.713 1.00 0.00 C ATOM 181 CD PRO A 28 8.909 7.407 4.973 1.00 0.00 C ATOM 0 HA PRO A 28 8.372 5.242 3.044 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.723 4.728 5.724 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.381 4.515 4.114 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.940 6.796 5.484 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.643 6.882 3.759 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.840 7.702 6.020 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.893 8.323 4.382 1.00 0.00 H new ATOM 182 N VAL A 29 6.826 3.516 3.460 1.00 0.00 N ATOM 183 CA VAL A 29 5.913 2.394 3.583 1.00 0.00 C ATOM 184 C VAL A 29 6.697 1.231 4.208 1.00 0.00 C ATOM 185 O VAL A 29 6.145 0.439 4.969 1.00 0.00 O ATOM 186 CB VAL A 29 5.317 2.062 2.207 1.00 0.00 C ATOM 187 CG1 VAL A 29 4.508 0.777 2.248 1.00 0.00 C ATOM 188 CG2 VAL A 29 4.309 3.129 1.765 1.00 0.00 C ATOM 0 H VAL A 29 6.946 3.836 2.499 1.00 0.00 H new ATOM 0 HA VAL A 29 5.065 2.620 4.230 1.00 0.00 H new ATOM 0 HB VAL A 29 6.170 1.992 1.532 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.101 0.572 1.258 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.151 -0.048 2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.691 0.884 2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.905 2.865 0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.497 3.185 2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.807 4.097 1.703 1.00 0.00 H new ATOM 189 N LYS A 30 7.986 1.121 3.859 1.00 0.00 N ATOM 190 CA LYS A 30 8.913 0.131 4.374 1.00 0.00 C ATOM 191 C LYS A 30 8.795 -0.128 5.864 1.00 0.00 C ATOM 192 O LYS A 30 9.289 0.613 6.711 1.00 0.00 O ATOM 193 CB LYS A 30 10.333 0.556 4.036 1.00 0.00 C ATOM 194 CG LYS A 30 11.435 -0.386 4.543 1.00 0.00 C ATOM 195 CD LYS A 30 12.776 0.028 3.923 1.00 0.00 C ATOM 196 CE LYS A 30 13.955 -0.753 4.513 1.00 0.00 C ATOM 197 NZ LYS A 30 13.861 -2.197 4.236 1.00 0.00 N ATOM 0 H LYS A 30 8.419 1.750 3.182 1.00 0.00 H new ATOM 0 HA LYS A 30 8.654 -0.812 3.892 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.421 0.643 2.953 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.507 1.549 4.451 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.495 -0.343 5.631 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.200 -1.417 4.277 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.740 -0.132 2.845 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.934 1.095 4.082 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.887 -0.366 4.102 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.992 -0.593 5.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.747 -2.663 4.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.070 -2.603 4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.699 -2.346 3.219 1.00 0.00 H new ATOM 198 N GLY A 31 8.157 -1.253 6.137 1.00 0.00 N ATOM 199 CA GLY A 31 7.954 -1.775 7.464 1.00 0.00 C ATOM 200 C GLY A 31 7.075 -0.840 8.263 1.00 0.00 C ATOM 201 O GLY A 31 7.328 -0.639 9.448 1.00 0.00 O ATOM 0 H GLY A 31 7.754 -1.844 5.410 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.493 -2.761 7.408 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.914 -1.900 7.965 1.00 0.00 H new ATOM 202 N GLN A 32 6.026 -0.277 7.641 1.00 0.00 N ATOM 203 CA GLN A 32 5.147 0.611 8.337 1.00 0.00 C ATOM 204 C GLN A 32 4.519 -0.183 9.503 1.00 0.00 C ATOM 205 O GLN A 32 4.296 0.340 10.592 1.00 0.00 O ATOM 206 CB GLN A 32 4.131 1.172 7.336 1.00 0.00 C ATOM 207 CG GLN A 32 4.283 2.678 6.994 1.00 0.00 C ATOM 208 CD GLN A 32 3.142 3.212 6.107 1.00 0.00 C ATOM 209 OE1 GLN A 32 2.039 2.689 6.209 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.347 4.221 5.240 1.00 0.00 N ATOM 0 H GLN A 32 5.786 -0.434 6.662 1.00 0.00 H new ATOM 0 HA GLN A 32 5.657 1.473 8.768 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.205 0.599 6.412 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.129 1.008 7.733 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.316 3.253 7.919 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.235 2.835 6.486 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.270 4.649 5.164 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.579 4.558 4.659 1.00 0.00 H new ATOM 211 N GLY A 33 4.258 -1.468 9.231 1.00 0.00 N ATOM 212 CA GLY A 33 3.737 -2.490 10.134 1.00 0.00 C ATOM 213 C GLY A 33 2.596 -3.217 9.437 1.00 0.00 C ATOM 214 O GLY A 33 1.647 -2.552 9.065 1.00 0.00 O ATOM 0 H GLY A 33 4.420 -1.845 8.297 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.525 -3.193 10.404 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.386 -2.034 11.059 1.00 0.00 H new ATOM 215 N ALA A 34 2.642 -4.540 9.231 1.00 0.00 N ATOM 216 CA ALA A 34 1.601 -5.286 8.524 1.00 0.00 C ATOM 217 C ALA A 34 0.196 -4.893 8.957 1.00 0.00 C ATOM 218 O ALA A 34 -0.668 -4.678 8.114 1.00 0.00 O ATOM 219 CB ALA A 34 1.803 -6.792 8.733 1.00 0.00 C ATOM 0 H ALA A 34 3.412 -5.125 9.555 1.00 0.00 H new ATOM 0 HA ALA A 34 1.694 -5.036 7.467 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.024 -7.341 8.204 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.779 -7.085 8.347 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.749 -7.022 9.797 1.00 0.00 H new ATOM 220 N GLU A 35 -0.030 -4.792 10.265 1.00 0.00 N ATOM 221 CA GLU A 35 -1.342 -4.409 10.776 1.00 0.00 C ATOM 222 C GLU A 35 -1.690 -2.987 10.316 1.00 0.00 C ATOM 223 O GLU A 35 -2.824 -2.713 9.936 1.00 0.00 O ATOM 224 CB GLU A 35 -1.358 -4.534 12.307 1.00 0.00 C ATOM 225 CG GLU A 35 -2.748 -4.257 12.905 1.00 0.00 C ATOM 226 CD GLU A 35 -3.829 -5.175 12.337 1.00 0.00 C ATOM 227 OE1 GLU A 35 -3.615 -6.405 12.393 1.00 0.00 O ATOM 228 OE2 GLU A 35 -4.844 -4.632 11.849 1.00 0.00 O ATOM 0 H GLU A 35 0.672 -4.968 10.984 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.103 -5.079 10.377 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.037 -5.537 12.590 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.637 -3.836 12.733 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.704 -4.380 13.987 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.021 -3.219 12.713 1.00 0.00 H new ATOM 229 N GLU A 36 -0.701 -2.093 10.345 1.00 0.00 N ATOM 230 CA GLU A 36 -0.800 -0.701 9.942 1.00 0.00 C ATOM 231 C GLU A 36 -1.189 -0.665 8.470 1.00 0.00 C ATOM 232 O GLU A 36 -2.266 -0.215 8.093 1.00 0.00 O ATOM 233 CB GLU A 36 0.589 -0.059 10.164 1.00 0.00 C ATOM 234 CG GLU A 36 0.596 1.383 10.657 1.00 0.00 C ATOM 235 CD GLU A 36 -0.076 1.535 12.018 1.00 0.00 C ATOM 236 OE1 GLU A 36 0.406 0.878 12.967 1.00 0.00 O ATOM 237 OE2 GLU A 36 -1.065 2.296 12.082 1.00 0.00 O ATOM 0 H GLU A 36 0.235 -2.338 10.667 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.548 -0.154 10.516 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.137 -0.669 10.883 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.140 -0.102 9.224 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.625 1.737 10.721 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.086 2.015 9.930 1.00 0.00 H new ATOM 238 N LEU A 37 -0.271 -1.190 7.663 1.00 0.00 N ATOM 239 CA LEU A 37 -0.345 -1.318 6.226 1.00 0.00 C ATOM 240 C LEU A 37 -1.713 -1.869 5.833 1.00 0.00 C ATOM 241 O LEU A 37 -2.394 -1.293 4.992 1.00 0.00 O ATOM 242 CB LEU A 37 0.791 -2.255 5.789 1.00 0.00 C ATOM 243 CG LEU A 37 2.180 -1.608 5.941 1.00 0.00 C ATOM 244 CD1 LEU A 37 3.285 -2.664 5.995 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.451 -0.702 4.745 1.00 0.00 C ATOM 0 H LEU A 37 0.604 -1.562 8.032 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.230 -0.354 5.731 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.752 -3.169 6.382 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.640 -2.543 4.749 1.00 0.00 H new ATOM 0 HG LEU A 37 2.182 -1.041 6.872 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.252 -2.173 6.103 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.116 -3.324 6.846 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.275 -3.248 5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.434 -0.243 4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.423 -1.291 3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.690 0.077 4.699 1.00 0.00 H new ATOM 246 N TYR A 38 -2.126 -2.971 6.459 1.00 0.00 N ATOM 247 CA TYR A 38 -3.398 -3.612 6.190 1.00 0.00 C ATOM 248 C TYR A 38 -4.575 -2.736 6.578 1.00 0.00 C ATOM 249 O TYR A 38 -5.480 -2.565 5.770 1.00 0.00 O ATOM 250 CB TYR A 38 -3.489 -4.922 6.963 1.00 0.00 C ATOM 251 CG TYR A 38 -4.840 -5.603 6.840 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.273 -6.096 5.593 1.00 0.00 C ATOM 253 CD2 TYR A 38 -5.744 -5.544 7.917 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.590 -6.565 5.438 1.00 0.00 C ATOM 255 CE2 TYR A 38 -7.067 -5.987 7.753 1.00 0.00 C ATOM 256 CZ TYR A 38 -7.491 -6.496 6.515 1.00 0.00 C ATOM 257 OH TYR A 38 -8.782 -6.908 6.374 1.00 0.00 O ATOM 0 H TYR A 38 -1.574 -3.444 7.175 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.446 -3.793 5.116 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.715 -5.601 6.605 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.282 -4.729 8.016 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.592 -6.114 4.755 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.420 -5.157 8.872 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.909 -6.978 4.492 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.759 -5.936 8.581 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.868 -7.442 5.557 1.00 0.00 H new ATOM 258 N LYS A 39 -4.602 -2.216 7.807 1.00 0.00 N ATOM 259 CA LYS A 39 -5.709 -1.388 8.255 1.00 0.00 C ATOM 260 C LYS A 39 -5.865 -0.198 7.312 1.00 0.00 C ATOM 261 O LYS A 39 -6.976 0.194 6.958 1.00 0.00 O ATOM 262 CB LYS A 39 -5.438 -0.943 9.699 1.00 0.00 C ATOM 263 CG LYS A 39 -6.574 -0.093 10.281 1.00 0.00 C ATOM 264 CD LYS A 39 -6.259 0.245 11.744 1.00 0.00 C ATOM 265 CE LYS A 39 -7.366 1.087 12.389 1.00 0.00 C ATOM 266 NZ LYS A 39 -7.491 2.412 11.757 1.00 0.00 N ATOM 0 H LYS A 39 -3.870 -2.357 8.503 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.645 -1.947 8.239 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.292 -1.824 10.325 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.510 -0.372 9.731 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.691 0.823 9.702 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.518 -0.634 10.216 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.129 -0.678 12.310 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.314 0.787 11.796 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.316 0.558 12.312 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.155 1.210 13.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.153 2.997 12.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.559 2.874 11.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.849 2.301 10.787 1.00 0.00 H new ATOM 267 N LYS A 40 -4.737 0.359 6.878 1.00 0.00 N ATOM 268 CA LYS A 40 -4.711 1.500 6.006 1.00 0.00 C ATOM 269 C LYS A 40 -5.178 1.104 4.604 1.00 0.00 C ATOM 270 O LYS A 40 -5.999 1.807 4.019 1.00 0.00 O ATOM 271 CB LYS A 40 -3.297 2.063 6.089 1.00 0.00 C ATOM 272 CG LYS A 40 -3.141 2.793 7.436 1.00 0.00 C ATOM 273 CD LYS A 40 -1.759 3.433 7.592 1.00 0.00 C ATOM 274 CE LYS A 40 -1.596 4.094 8.967 1.00 0.00 C ATOM 275 NZ LYS A 40 -2.508 5.235 9.146 1.00 0.00 N ATOM 0 H LYS A 40 -3.811 0.016 7.133 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.406 2.287 6.299 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.564 1.260 6.006 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.113 2.749 5.262 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.908 3.563 7.520 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.307 2.088 8.250 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.988 2.674 7.459 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.612 4.178 6.810 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.782 3.356 9.747 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.566 4.432 9.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.094 5.908 9.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.655 5.709 8.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.421 4.896 9.511 1.00 0.00 H new ATOM 276 N MET A 41 -4.707 -0.024 4.063 1.00 0.00 N ATOM 277 CA MET A 41 -5.149 -0.489 2.757 1.00 0.00 C ATOM 278 C MET A 41 -6.641 -0.775 2.796 1.00 0.00 C ATOM 279 O MET A 41 -7.342 -0.409 1.864 1.00 0.00 O ATOM 280 CB MET A 41 -4.387 -1.744 2.331 1.00 0.00 C ATOM 281 CG MET A 41 -3.474 -1.408 1.149 1.00 0.00 C ATOM 282 SD MET A 41 -2.520 -2.789 0.485 1.00 0.00 S ATOM 283 CE MET A 41 -1.916 -3.487 2.029 1.00 0.00 C ATOM 0 H MET A 41 -4.020 -0.628 4.514 1.00 0.00 H new ATOM 0 HA MET A 41 -4.945 0.293 2.026 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.796 -2.125 3.164 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.088 -2.531 2.051 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.085 -0.993 0.347 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.781 -0.626 1.459 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.137 -4.219 1.817 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.507 -2.692 2.652 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.738 -3.973 2.555 1.00 0.00 H new ATOM 284 N LYS A 42 -7.130 -1.439 3.844 1.00 0.00 N ATOM 285 CA LYS A 42 -8.545 -1.730 4.012 1.00 0.00 C ATOM 286 C LYS A 42 -9.282 -0.390 4.006 1.00 0.00 C ATOM 287 O LYS A 42 -10.283 -0.212 3.313 1.00 0.00 O ATOM 288 CB LYS A 42 -8.741 -2.512 5.320 1.00 0.00 C ATOM 289 CG LYS A 42 -10.146 -3.099 5.494 1.00 0.00 C ATOM 290 CD LYS A 42 -10.427 -4.207 4.467 1.00 0.00 C ATOM 291 CE LYS A 42 -11.682 -5.013 4.819 1.00 0.00 C ATOM 292 NZ LYS A 42 -11.520 -5.767 6.076 1.00 0.00 N ATOM 0 H LYS A 42 -6.547 -1.791 4.603 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.943 -2.352 3.210 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.013 -3.322 5.359 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.528 -1.852 6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.251 -3.501 6.502 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.888 -2.307 5.388 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.547 -3.763 3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.569 -4.877 4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.533 -4.338 4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.908 -5.705 4.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.205 -6.549 6.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.555 -6.151 6.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.685 -5.134 6.884 1.00 0.00 H new ATOM 293 N GLY A 43 -8.741 0.573 4.756 1.00 0.00 N ATOM 294 CA GLY A 43 -9.262 1.918 4.824 1.00 0.00 C ATOM 295 C GLY A 43 -9.397 2.505 3.418 1.00 0.00 C ATOM 296 O GLY A 43 -10.482 2.941 3.048 1.00 0.00 O ATOM 0 H GLY A 43 -7.916 0.426 5.338 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.233 1.915 5.319 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.600 2.542 5.424 1.00 0.00 H new ATOM 297 N TYR A 44 -8.322 2.514 2.621 1.00 0.00 N ATOM 298 CA TYR A 44 -8.372 3.050 1.265 1.00 0.00 C ATOM 299 C TYR A 44 -9.345 2.242 0.402 1.00 0.00 C ATOM 300 O TYR A 44 -10.121 2.834 -0.346 1.00 0.00 O ATOM 301 CB TYR A 44 -6.974 3.053 0.631 1.00 0.00 C ATOM 302 CG TYR A 44 -5.990 4.048 1.220 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.252 5.430 1.149 1.00 0.00 C ATOM 304 CD2 TYR A 44 -4.740 3.607 1.693 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.302 6.353 1.622 1.00 0.00 C ATOM 306 CE2 TYR A 44 -3.780 4.535 2.130 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.077 5.905 2.136 1.00 0.00 C ATOM 308 OH TYR A 44 -3.216 6.799 2.694 1.00 0.00 O ATOM 0 H TYR A 44 -7.408 2.155 2.897 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.728 4.079 1.319 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.551 2.053 0.723 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.078 3.259 -0.434 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.184 5.781 0.731 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.518 2.550 1.720 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.517 7.411 1.589 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.811 4.192 2.462 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.596 6.328 3.289 1.00 0.00 H new ATOM 309 N ALA A 45 -9.311 0.909 0.510 1.00 0.00 N ATOM 310 CA ALA A 45 -10.153 -0.025 -0.228 1.00 0.00 C ATOM 311 C ALA A 45 -11.614 0.399 -0.074 1.00 0.00 C ATOM 312 O ALA A 45 -12.334 0.556 -1.056 1.00 0.00 O ATOM 313 CB ALA A 45 -9.968 -1.457 0.288 1.00 0.00 C ATOM 0 H ALA A 45 -8.666 0.436 1.143 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.866 -0.007 -1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.607 -2.134 -0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.927 -1.755 0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.239 -1.501 1.343 1.00 0.00 H new ATOM 314 N ASP A 46 -12.021 0.622 1.181 1.00 0.00 N ATOM 315 CA ASP A 46 -13.374 1.019 1.551 1.00 0.00 C ATOM 316 C ASP A 46 -13.541 2.546 1.587 1.00 0.00 C ATOM 317 O ASP A 46 -14.547 3.029 2.100 1.00 0.00 O ATOM 318 CB ASP A 46 -13.702 0.423 2.931 1.00 0.00 C ATOM 319 CG ASP A 46 -13.586 -1.100 2.982 1.00 0.00 C ATOM 320 OD1 ASP A 46 -14.013 -1.745 2.000 1.00 0.00 O ATOM 321 OD2 ASP A 46 -13.081 -1.598 4.012 1.00 0.00 O ATOM 0 H ASP A 46 -11.399 0.528 1.984 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.062 0.640 0.795 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -13.031 0.855 3.673 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.715 0.712 3.211 1.00 0.00 H new ATOM 322 N GLY A 47 -12.572 3.319 1.079 1.00 0.00 N ATOM 323 CA GLY A 47 -12.604 4.780 1.068 1.00 0.00 C ATOM 324 C GLY A 47 -12.908 5.398 2.440 1.00 0.00 C ATOM 325 O GLY A 47 -13.490 6.477 2.512 1.00 0.00 O ATOM 0 H GLY A 47 -11.728 2.934 0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.643 5.154 0.715 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.357 5.113 0.354 1.00 0.00 H new ATOM 326 N SER A 48 -12.480 4.740 3.521 1.00 0.00 N ATOM 327 CA SER A 48 -12.693 5.139 4.905 1.00 0.00 C ATOM 328 C SER A 48 -11.371 5.484 5.603 1.00 0.00 C ATOM 329 O SER A 48 -11.223 5.238 6.800 1.00 0.00 O ATOM 330 CB SER A 48 -13.408 3.980 5.609 1.00 0.00 C ATOM 331 OG SER A 48 -13.789 4.350 6.918 1.00 0.00 O ATOM 0 H SER A 48 -11.950 3.872 3.445 1.00 0.00 H new ATOM 0 HA SER A 48 -13.301 6.043 4.946 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.289 3.689 5.037 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.751 3.111 5.648 1.00 0.00 H new ATOM 0 HG SER A 48 -13.024 4.752 7.380 1.00 0.00 H new ATOM 332 N TYR A 49 -10.411 6.041 4.864 1.00 0.00 N ATOM 333 CA TYR A 49 -9.098 6.455 5.335 1.00 0.00 C ATOM 334 C TYR A 49 -8.526 7.364 4.254 1.00 0.00 C ATOM 335 O TYR A 49 -9.039 7.363 3.133 1.00 0.00 O ATOM 336 CB TYR A 49 -8.216 5.225 5.574 1.00 0.00 C ATOM 337 CG TYR A 49 -6.770 5.505 5.941 1.00 0.00 C ATOM 338 CD1 TYR A 49 -6.451 6.278 7.074 1.00 0.00 C ATOM 339 CD2 TYR A 49 -5.739 5.042 5.105 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.121 6.675 7.303 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.408 5.393 5.372 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.105 6.277 6.416 1.00 0.00 C ATOM 343 OH TYR A 49 -2.811 6.647 6.641 1.00 0.00 O ATOM 0 H TYR A 49 -10.540 6.223 3.869 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.151 6.987 6.285 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.664 4.631 6.370 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.229 4.612 4.673 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.227 6.566 7.767 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.972 4.416 4.257 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.880 7.286 8.161 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.612 4.980 4.770 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.254 6.367 5.885 1.00 0.00 H new ATOM 344 N GLY A 50 -7.493 8.142 4.582 1.00 0.00 N ATOM 345 CA GLY A 50 -6.895 9.050 3.627 1.00 0.00 C ATOM 346 C GLY A 50 -5.418 9.323 3.862 1.00 0.00 C ATOM 347 O GLY A 50 -4.787 8.772 4.759 1.00 0.00 O ATOM 0 H GLY A 50 -7.059 8.155 5.505 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.022 8.640 2.625 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.436 9.996 3.655 1.00 0.00 H new ATOM 348 N GLY A 51 -4.913 10.210 3.010 1.00 0.00 N ATOM 349 CA GLY A 51 -3.597 10.731 2.854 1.00 0.00 C ATOM 350 C GLY A 51 -3.672 11.783 1.756 1.00 0.00 C ATOM 351 O GLY A 51 -4.724 11.965 1.136 1.00 0.00 O ATOM 0 H GLY A 51 -5.531 10.630 2.316 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.241 11.169 3.786 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.897 9.940 2.585 1.00 0.00 H new ATOM 352 N GLU A 52 -2.550 12.446 1.515 1.00 0.00 N ATOM 353 CA GLU A 52 -2.410 13.514 0.532 1.00 0.00 C ATOM 354 C GLU A 52 -2.846 13.088 -0.878 1.00 0.00 C ATOM 355 O GLU A 52 -3.204 13.947 -1.684 1.00 0.00 O ATOM 356 CB GLU A 52 -0.955 14.001 0.524 1.00 0.00 C ATOM 357 CG GLU A 52 -0.480 14.533 1.885 1.00 0.00 C ATOM 358 CD GLU A 52 -1.326 15.704 2.375 1.00 0.00 C ATOM 359 OE1 GLU A 52 -1.236 16.773 1.735 1.00 0.00 O ATOM 360 OE2 GLU A 52 -2.055 15.502 3.370 1.00 0.00 O ATOM 0 H GLU A 52 -1.683 12.250 2.014 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.076 14.326 0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.307 13.180 0.217 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.848 14.788 -0.223 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.516 13.729 2.620 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.561 14.847 1.807 1.00 0.00 H new ATOM 361 N ARG A 53 -2.798 11.792 -1.199 1.00 0.00 N ATOM 362 CA ARG A 53 -3.210 11.267 -2.502 1.00 0.00 C ATOM 363 C ARG A 53 -4.119 10.043 -2.327 1.00 0.00 C ATOM 364 O ARG A 53 -4.080 9.102 -3.125 1.00 0.00 O ATOM 365 CB ARG A 53 -1.970 10.984 -3.379 1.00 0.00 C ATOM 366 CG ARG A 53 -2.244 11.340 -4.844 1.00 0.00 C ATOM 367 CD ARG A 53 -2.225 12.851 -5.120 1.00 0.00 C ATOM 368 NE ARG A 53 -0.853 13.379 -5.107 1.00 0.00 N ATOM 369 CZ ARG A 53 -0.331 14.284 -4.265 1.00 0.00 C ATOM 370 NH1 ARG A 53 -1.024 14.762 -3.224 1.00 0.00 N ATOM 371 NH2 ARG A 53 0.918 14.714 -4.473 1.00 0.00 N ATOM 0 H ARG A 53 -2.469 11.072 -0.555 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.802 12.016 -3.028 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.121 11.561 -3.013 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.697 9.932 -3.301 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.499 10.854 -5.474 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.215 10.938 -5.132 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.685 13.052 -6.087 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.823 13.368 -4.369 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.224 13.014 -5.822 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.976 14.439 -3.054 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.600 15.450 -2.601 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.457 14.354 -5.261 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.332 15.402 -3.844 1.00 0.00 H new ATOM 372 N LYS A 54 -5.004 10.097 -1.322 1.00 0.00 N ATOM 373 CA LYS A 54 -5.932 9.015 -1.005 1.00 0.00 C ATOM 374 C LYS A 54 -6.710 8.517 -2.224 1.00 0.00 C ATOM 375 O LYS A 54 -6.993 7.329 -2.333 1.00 0.00 O ATOM 376 CB LYS A 54 -6.910 9.466 0.085 1.00 0.00 C ATOM 377 CG LYS A 54 -8.009 10.473 -0.289 1.00 0.00 C ATOM 378 CD LYS A 54 -9.344 9.857 -0.757 1.00 0.00 C ATOM 379 CE LYS A 54 -10.021 8.958 0.292 1.00 0.00 C ATOM 380 NZ LYS A 54 -9.724 7.525 0.097 1.00 0.00 N ATOM 0 H LYS A 54 -5.093 10.903 -0.703 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.330 8.179 -0.648 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.397 8.576 0.483 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.325 9.899 0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.205 11.108 0.575 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.630 11.120 -1.080 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.028 10.661 -1.027 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.166 9.273 -1.660 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.694 9.260 1.287 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.100 9.109 0.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.582 7.034 -0.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.975 7.420 -0.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.406 7.111 0.997 1.00 0.00 H new ATOM 381 N ALA A 55 -7.079 9.426 -3.133 1.00 0.00 N ATOM 382 CA ALA A 55 -7.848 9.083 -4.318 1.00 0.00 C ATOM 383 C ALA A 55 -7.092 8.084 -5.186 1.00 0.00 C ATOM 384 O ALA A 55 -7.641 7.045 -5.542 1.00 0.00 O ATOM 385 CB ALA A 55 -8.177 10.358 -5.100 1.00 0.00 C ATOM 0 H ALA A 55 -6.850 10.417 -3.061 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.780 8.608 -4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.754 10.101 -5.989 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.760 11.030 -4.471 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.252 10.851 -5.398 1.00 0.00 H new ATOM 386 N MET A 56 -5.833 8.388 -5.518 1.00 0.00 N ATOM 387 CA MET A 56 -5.018 7.495 -6.329 1.00 0.00 C ATOM 388 C MET A 56 -4.863 6.171 -5.587 1.00 0.00 C ATOM 389 O MET A 56 -4.952 5.102 -6.189 1.00 0.00 O ATOM 390 CB MET A 56 -3.654 8.133 -6.623 1.00 0.00 C ATOM 391 CG MET A 56 -3.798 9.282 -7.628 1.00 0.00 C ATOM 392 SD MET A 56 -2.230 10.020 -8.150 1.00 0.00 S ATOM 393 CE MET A 56 -2.844 11.277 -9.291 1.00 0.00 C ATOM 0 H MET A 56 -5.362 9.247 -5.235 1.00 0.00 H new ATOM 0 HA MET A 56 -5.503 7.313 -7.288 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.214 8.506 -5.698 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.973 7.380 -7.019 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.323 8.914 -8.509 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.422 10.059 -7.186 1.00 0.00 H new ATOM 0 HE1 MET A 56 -2.003 11.831 -9.709 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.399 10.797 -10.097 1.00 0.00 H new ATOM 0 HE3 MET A 56 -3.501 11.963 -8.757 1.00 0.00 H new ATOM 394 N MET A 57 -4.667 6.251 -4.269 1.00 0.00 N ATOM 395 CA MET A 57 -4.527 5.067 -3.447 1.00 0.00 C ATOM 396 C MET A 57 -5.761 4.176 -3.604 1.00 0.00 C ATOM 397 O MET A 57 -5.640 3.045 -4.069 1.00 0.00 O ATOM 398 CB MET A 57 -4.258 5.487 -1.993 1.00 0.00 C ATOM 399 CG MET A 57 -2.755 5.456 -1.705 1.00 0.00 C ATOM 400 SD MET A 57 -1.969 3.863 -2.054 1.00 0.00 S ATOM 401 CE MET A 57 -2.883 2.732 -0.988 1.00 0.00 C ATOM 0 H MET A 57 -4.603 7.130 -3.756 1.00 0.00 H new ATOM 0 HA MET A 57 -3.674 4.471 -3.770 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.649 6.489 -1.818 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.781 4.817 -1.310 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.266 6.228 -2.299 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.591 5.708 -0.657 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.688 1.705 -1.296 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.564 2.868 0.045 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.950 2.939 -1.068 1.00 0.00 H new ATOM 402 N THR A 58 -6.947 4.676 -3.253 1.00 0.00 N ATOM 403 CA THR A 58 -8.202 3.954 -3.407 1.00 0.00 C ATOM 404 C THR A 58 -8.321 3.435 -4.846 1.00 0.00 C ATOM 405 O THR A 58 -8.678 2.277 -5.045 1.00 0.00 O ATOM 406 CB THR A 58 -9.364 4.884 -3.022 1.00 0.00 C ATOM 407 OG1 THR A 58 -9.282 5.166 -1.640 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.735 4.258 -3.297 1.00 0.00 C ATOM 0 H THR A 58 -7.060 5.606 -2.849 1.00 0.00 H new ATOM 0 HA THR A 58 -8.234 3.088 -2.746 1.00 0.00 H new ATOM 0 HB THR A 58 -9.274 5.785 -3.629 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.567 4.380 -1.128 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.519 4.957 -3.007 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.825 4.032 -4.359 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.837 3.339 -2.721 1.00 0.00 H new ATOM 409 N ASN A 59 -8.003 4.268 -5.847 1.00 0.00 N ATOM 410 CA ASN A 59 -8.064 3.881 -7.255 1.00 0.00 C ATOM 411 C ASN A 59 -7.185 2.656 -7.517 1.00 0.00 C ATOM 412 O ASN A 59 -7.550 1.827 -8.348 1.00 0.00 O ATOM 413 CB ASN A 59 -7.644 5.049 -8.160 1.00 0.00 C ATOM 414 CG ASN A 59 -8.166 4.949 -9.597 1.00 0.00 C ATOM 415 OD1 ASN A 59 -8.569 5.956 -10.170 1.00 0.00 O ATOM 416 ND2 ASN A 59 -8.184 3.772 -10.216 1.00 0.00 N ATOM 0 H ASN A 59 -7.696 5.229 -5.698 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.096 3.620 -7.491 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.000 5.981 -7.720 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.556 5.103 -8.184 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.534 3.704 -11.172 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.848 2.938 -9.735 1.00 0.00 H new ATOM 417 N ALA A 60 -6.027 2.537 -6.860 1.00 0.00 N ATOM 418 CA ALA A 60 -5.172 1.377 -7.057 1.00 0.00 C ATOM 419 C ALA A 60 -5.765 0.196 -6.288 1.00 0.00 C ATOM 420 O ALA A 60 -6.135 -0.832 -6.849 1.00 0.00 O ATOM 421 CB ALA A 60 -3.749 1.687 -6.566 1.00 0.00 C ATOM 0 H ALA A 60 -5.669 3.224 -6.196 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.117 1.126 -8.116 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.114 0.814 -6.716 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.346 2.530 -7.127 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.776 1.937 -5.505 1.00 0.00 H new ATOM 422 N VAL A 61 -5.887 0.386 -4.979 1.00 0.00 N ATOM 423 CA VAL A 61 -6.350 -0.576 -3.999 1.00 0.00 C ATOM 424 C VAL A 61 -7.669 -1.264 -4.382 1.00 0.00 C ATOM 425 O VAL A 61 -7.786 -2.475 -4.190 1.00 0.00 O ATOM 426 CB VAL A 61 -6.385 0.158 -2.655 1.00 0.00 C ATOM 427 CG1 VAL A 61 -7.005 -0.647 -1.524 1.00 0.00 C ATOM 428 CG2 VAL A 61 -4.939 0.427 -2.225 1.00 0.00 C ATOM 0 H VAL A 61 -5.647 1.280 -4.550 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.666 -1.422 -3.940 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.986 1.054 -2.813 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.992 -0.057 -0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.035 -0.899 -1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.434 -1.563 -1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.935 0.950 -1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.408 -0.519 -2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.444 1.042 -2.977 1.00 0.00 H new ATOM 429 N LYS A 62 -8.650 -0.547 -4.943 1.00 0.00 N ATOM 430 CA LYS A 62 -9.932 -1.156 -5.307 1.00 0.00 C ATOM 431 C LYS A 62 -9.783 -2.343 -6.272 1.00 0.00 C ATOM 432 O LYS A 62 -10.696 -3.158 -6.374 1.00 0.00 O ATOM 433 CB LYS A 62 -10.892 -0.100 -5.877 1.00 0.00 C ATOM 434 CG LYS A 62 -10.431 0.502 -7.211 1.00 0.00 C ATOM 435 CD LYS A 62 -11.486 1.424 -7.837 1.00 0.00 C ATOM 436 CE LYS A 62 -11.933 2.540 -6.885 1.00 0.00 C ATOM 437 NZ LYS A 62 -12.732 3.558 -7.589 1.00 0.00 N ATOM 0 H LYS A 62 -8.580 0.449 -5.153 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.357 -1.561 -4.388 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.874 -0.552 -6.014 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.009 0.702 -5.148 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.510 1.064 -7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.198 -0.303 -7.908 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.082 1.868 -8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.353 0.832 -8.129 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.520 2.113 -6.071 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.058 3.009 -6.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.019 4.299 -6.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.163 3.981 -8.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.579 3.113 -7.997 1.00 0.00 H new ATOM 438 N LYS A 63 -8.668 -2.437 -7.006 1.00 0.00 N ATOM 439 CA LYS A 63 -8.431 -3.545 -7.922 1.00 0.00 C ATOM 440 C LYS A 63 -8.307 -4.876 -7.170 1.00 0.00 C ATOM 441 O LYS A 63 -8.613 -5.933 -7.718 1.00 0.00 O ATOM 442 CB LYS A 63 -7.136 -3.255 -8.700 1.00 0.00 C ATOM 443 CG LYS A 63 -6.571 -4.485 -9.416 1.00 0.00 C ATOM 444 CD LYS A 63 -5.471 -4.071 -10.400 1.00 0.00 C ATOM 445 CE LYS A 63 -4.716 -5.289 -10.944 1.00 0.00 C ATOM 446 NZ LYS A 63 -5.611 -6.220 -11.653 1.00 0.00 N ATOM 0 H LYS A 63 -7.914 -1.751 -6.978 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.276 -3.635 -8.604 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.329 -2.473 -9.434 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.385 -2.868 -8.011 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.169 -5.187 -8.685 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.369 -5.002 -9.949 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.912 -3.516 -11.228 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.771 -3.400 -9.903 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.929 -4.956 -11.621 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.228 -5.811 -10.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.048 -6.976 -12.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.284 -6.636 -10.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.134 -5.705 -12.390 1.00 0.00 H new ATOM 447 N TYR A 64 -7.805 -4.828 -5.938 1.00 0.00 N ATOM 448 CA TYR A 64 -7.532 -5.965 -5.104 1.00 0.00 C ATOM 449 C TYR A 64 -8.730 -6.300 -4.217 1.00 0.00 C ATOM 450 O TYR A 64 -9.799 -5.700 -4.284 1.00 0.00 O ATOM 451 CB TYR A 64 -6.267 -5.611 -4.303 1.00 0.00 C ATOM 452 CG TYR A 64 -5.103 -5.200 -5.190 1.00 0.00 C ATOM 453 CD1 TYR A 64 -4.351 -6.176 -5.865 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.930 -3.848 -5.530 1.00 0.00 C ATOM 455 CE1 TYR A 64 -3.399 -5.791 -6.825 1.00 0.00 C ATOM 456 CE2 TYR A 64 -4.008 -3.465 -6.515 1.00 0.00 C ATOM 457 CZ TYR A 64 -3.226 -4.440 -7.155 1.00 0.00 C ATOM 458 OH TYR A 64 -2.394 -4.111 -8.182 1.00 0.00 O ATOM 0 H TYR A 64 -7.571 -3.945 -5.485 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.361 -6.868 -5.690 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.495 -4.799 -3.612 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.972 -6.470 -3.700 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.504 -7.222 -5.646 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.515 -3.093 -5.026 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.796 -6.543 -7.312 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.900 -2.424 -6.780 1.00 0.00 H new ATOM 0 HH TYR A 64 -1.536 -3.802 -7.822 1.00 0.00 H new ATOM 459 N SER A 65 -8.501 -7.307 -3.389 1.00 0.00 N ATOM 460 CA SER A 65 -9.405 -7.881 -2.405 1.00 0.00 C ATOM 461 C SER A 65 -8.623 -8.128 -1.121 1.00 0.00 C ATOM 462 O SER A 65 -7.396 -8.077 -1.118 1.00 0.00 O ATOM 463 CB SER A 65 -10.020 -9.175 -2.937 1.00 0.00 C ATOM 464 OG SER A 65 -10.869 -9.759 -1.965 1.00 0.00 O ATOM 0 H SER A 65 -7.600 -7.785 -3.388 1.00 0.00 H new ATOM 0 HA SER A 65 -10.226 -7.193 -2.201 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.586 -8.969 -3.845 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.230 -9.876 -3.206 1.00 0.00 H new ATOM 0 HG SER A 65 -11.256 -10.585 -2.323 1.00 0.00 H new ATOM 465 N ASP A 66 -9.354 -8.440 -0.055 1.00 0.00 N ATOM 466 CA ASP A 66 -8.841 -8.658 1.293 1.00 0.00 C ATOM 467 C ASP A 66 -7.562 -9.500 1.325 1.00 0.00 C ATOM 468 O ASP A 66 -6.582 -9.106 1.955 1.00 0.00 O ATOM 469 CB ASP A 66 -9.926 -9.315 2.150 1.00 0.00 C ATOM 470 CG ASP A 66 -9.435 -9.471 3.583 1.00 0.00 C ATOM 471 OD1 ASP A 66 -9.355 -8.426 4.265 1.00 0.00 O ATOM 472 OD2 ASP A 66 -9.132 -10.622 3.962 1.00 0.00 O ATOM 0 H ASP A 66 -10.366 -8.553 -0.110 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.576 -7.681 1.697 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.832 -8.709 2.131 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.186 -10.290 1.738 1.00 0.00 H new ATOM 473 N GLU A 67 -7.568 -10.646 0.639 1.00 0.00 N ATOM 474 CA GLU A 67 -6.414 -11.540 0.611 1.00 0.00 C ATOM 475 C GLU A 67 -5.208 -10.793 0.038 1.00 0.00 C ATOM 476 O GLU A 67 -4.145 -10.737 0.654 1.00 0.00 O ATOM 477 CB GLU A 67 -6.767 -12.809 -0.186 1.00 0.00 C ATOM 478 CG GLU A 67 -5.719 -13.931 -0.058 1.00 0.00 C ATOM 479 CD GLU A 67 -4.633 -13.887 -1.132 1.00 0.00 C ATOM 480 OE1 GLU A 67 -3.660 -13.123 -0.960 1.00 0.00 O ATOM 481 OE2 GLU A 67 -4.768 -14.633 -2.128 1.00 0.00 O ATOM 0 H GLU A 67 -8.365 -10.975 0.094 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.147 -11.859 1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.732 -13.185 0.154 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.880 -12.547 -1.238 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.249 -13.866 0.923 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.225 -14.895 -0.106 1.00 0.00 H new ATOM 482 N GLU A 68 -5.383 -10.201 -1.145 1.00 0.00 N ATOM 483 CA GLU A 68 -4.346 -9.440 -1.815 1.00 0.00 C ATOM 484 C GLU A 68 -3.864 -8.310 -0.899 1.00 0.00 C ATOM 485 O GLU A 68 -2.663 -8.091 -0.812 1.00 0.00 O ATOM 486 CB GLU A 68 -4.884 -8.886 -3.139 1.00 0.00 C ATOM 487 CG GLU A 68 -4.938 -9.894 -4.294 1.00 0.00 C ATOM 488 CD GLU A 68 -5.631 -11.198 -3.927 1.00 0.00 C ATOM 489 OE1 GLU A 68 -6.796 -11.119 -3.479 1.00 0.00 O ATOM 490 OE2 GLU A 68 -4.962 -12.244 -4.081 1.00 0.00 O ATOM 0 H GLU A 68 -6.260 -10.241 -1.664 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.498 -10.088 -2.036 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.888 -8.497 -2.970 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.262 -8.044 -3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.457 -9.440 -5.138 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.922 -10.112 -4.624 1.00 0.00 H new ATOM 491 N LEU A 69 -4.769 -7.592 -0.224 1.00 0.00 N ATOM 492 CA LEU A 69 -4.378 -6.519 0.687 1.00 0.00 C ATOM 493 C LEU A 69 -3.503 -7.086 1.807 1.00 0.00 C ATOM 494 O LEU A 69 -2.431 -6.552 2.089 1.00 0.00 O ATOM 495 CB LEU A 69 -5.606 -5.813 1.285 1.00 0.00 C ATOM 496 CG LEU A 69 -6.527 -5.140 0.257 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.689 -4.456 0.983 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.801 -4.126 -0.628 1.00 0.00 C ATOM 0 H LEU A 69 -5.776 -7.737 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.813 -5.781 0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.187 -6.542 1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.264 -5.059 1.994 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.896 -5.925 -0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.343 -3.978 0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.254 -5.199 1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.298 -3.703 1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.507 -3.686 -1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.373 -3.340 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.005 -4.627 -1.178 1.00 0.00 H new ATOM 499 N LYS A 70 -3.943 -8.170 2.450 1.00 0.00 N ATOM 500 CA LYS A 70 -3.185 -8.798 3.522 1.00 0.00 C ATOM 501 C LYS A 70 -1.797 -9.199 3.010 1.00 0.00 C ATOM 502 O LYS A 70 -0.789 -8.928 3.662 1.00 0.00 O ATOM 503 CB LYS A 70 -3.969 -10.007 4.057 1.00 0.00 C ATOM 504 CG LYS A 70 -3.273 -10.744 5.216 1.00 0.00 C ATOM 505 CD LYS A 70 -2.959 -9.872 6.442 1.00 0.00 C ATOM 506 CE LYS A 70 -4.228 -9.298 7.084 1.00 0.00 C ATOM 507 NZ LYS A 70 -3.911 -8.479 8.267 1.00 0.00 N ATOM 0 H LYS A 70 -4.829 -8.630 2.241 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.042 -8.096 4.344 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.950 -9.671 4.391 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.134 -10.710 3.240 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.905 -11.574 5.531 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.342 -11.175 4.847 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.417 -10.465 7.179 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.302 -9.054 6.146 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.764 -8.692 6.354 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.892 -10.113 7.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.403 -8.865 9.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.885 -8.493 8.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.222 -7.500 8.105 1.00 0.00 H new ATOM 508 N ALA A 71 -1.739 -9.826 1.831 1.00 0.00 N ATOM 509 CA ALA A 71 -0.487 -10.262 1.240 1.00 0.00 C ATOM 510 C ALA A 71 0.397 -9.055 0.945 1.00 0.00 C ATOM 511 O ALA A 71 1.594 -9.072 1.233 1.00 0.00 O ATOM 512 CB ALA A 71 -0.768 -11.055 -0.036 1.00 0.00 C ATOM 0 H ALA A 71 -2.561 -10.041 1.267 1.00 0.00 H new ATOM 0 HA ALA A 71 0.040 -10.909 1.941 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.174 -11.381 -0.477 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.377 -11.927 0.204 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.302 -10.424 -0.746 1.00 0.00 H new ATOM 513 N LEU A 72 -0.179 -7.994 0.374 1.00 0.00 N ATOM 514 CA LEU A 72 0.576 -6.802 0.069 1.00 0.00 C ATOM 515 C LEU A 72 1.173 -6.236 1.342 1.00 0.00 C ATOM 516 O LEU A 72 2.355 -5.907 1.366 1.00 0.00 O ATOM 517 CB LEU A 72 -0.375 -5.788 -0.552 1.00 0.00 C ATOM 518 CG LEU A 72 -0.425 -6.069 -2.044 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.436 -5.143 -2.668 1.00 0.00 C ATOM 520 CD2 LEU A 72 0.928 -5.725 -2.639 1.00 0.00 C ATOM 0 H LEU A 72 -1.165 -7.948 0.118 1.00 0.00 H new ATOM 0 HA LEU A 72 1.386 -7.032 -0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.368 -5.873 -0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.029 -4.772 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.683 -7.113 -2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.487 -5.329 -3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.415 -5.320 -2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.139 -4.109 -2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.914 -5.920 -3.711 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.145 -4.671 -2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.698 -6.337 -2.169 1.00 0.00 H new ATOM 521 N ALA A 73 0.357 -6.105 2.391 1.00 0.00 N ATOM 522 CA ALA A 73 0.832 -5.565 3.648 1.00 0.00 C ATOM 523 C ALA A 73 1.936 -6.460 4.185 1.00 0.00 C ATOM 524 O ALA A 73 2.919 -5.942 4.696 1.00 0.00 O ATOM 525 CB ALA A 73 -0.301 -5.474 4.674 1.00 0.00 C ATOM 0 H ALA A 73 -0.629 -6.366 2.386 1.00 0.00 H new ATOM 0 HA ALA A 73 1.213 -4.558 3.475 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.086 -5.065 5.608 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.087 -4.823 4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.709 -6.469 4.855 1.00 0.00 H new ATOM 526 N ASP A 74 1.786 -7.787 4.098 1.00 0.00 N ATOM 527 CA ASP A 74 2.836 -8.691 4.549 1.00 0.00 C ATOM 528 C ASP A 74 4.132 -8.331 3.818 1.00 0.00 C ATOM 529 O ASP A 74 5.162 -8.138 4.463 1.00 0.00 O ATOM 530 CB ASP A 74 2.446 -10.152 4.305 1.00 0.00 C ATOM 531 CG ASP A 74 3.593 -11.081 4.685 1.00 0.00 C ATOM 532 OD1 ASP A 74 3.794 -11.266 5.904 1.00 0.00 O ATOM 533 OD2 ASP A 74 4.256 -11.580 3.750 1.00 0.00 O ATOM 0 H ASP A 74 0.957 -8.249 3.724 1.00 0.00 H new ATOM 0 HA ASP A 74 2.982 -8.579 5.623 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.560 -10.401 4.889 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.187 -10.295 3.256 1.00 0.00 H new ATOM 534 N TYR A 75 4.074 -8.187 2.486 1.00 0.00 N ATOM 535 CA TYR A 75 5.253 -7.811 1.717 1.00 0.00 C ATOM 536 C TYR A 75 5.778 -6.463 2.223 1.00 0.00 C ATOM 537 O TYR A 75 6.902 -6.399 2.713 1.00 0.00 O ATOM 538 CB TYR A 75 4.976 -7.792 0.211 1.00 0.00 C ATOM 539 CG TYR A 75 6.189 -7.337 -0.579 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.348 -8.136 -0.575 1.00 0.00 C ATOM 541 CD2 TYR A 75 6.237 -6.046 -1.138 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.539 -7.660 -1.150 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.433 -5.571 -1.706 1.00 0.00 C ATOM 544 CZ TYR A 75 8.587 -6.372 -1.703 1.00 0.00 C ATOM 545 OH TYR A 75 9.754 -5.907 -2.231 1.00 0.00 O ATOM 0 H TYR A 75 3.230 -8.325 1.930 1.00 0.00 H new ATOM 0 HA TYR A 75 6.025 -8.566 1.866 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.682 -8.789 -0.117 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.137 -7.128 0.004 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.322 -9.119 -0.128 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.356 -5.421 -1.131 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.418 -8.287 -1.166 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.464 -4.585 -2.147 1.00 0.00 H new ATOM 0 HH TYR A 75 9.619 -4.999 -2.574 1.00 0.00 H new ATOM 546 N MET A 76 4.979 -5.392 2.133 1.00 0.00 N ATOM 547 CA MET A 76 5.391 -4.077 2.629 1.00 0.00 C ATOM 548 C MET A 76 5.946 -4.096 4.069 1.00 0.00 C ATOM 549 O MET A 76 6.806 -3.286 4.420 1.00 0.00 O ATOM 550 CB MET A 76 4.187 -3.142 2.577 1.00 0.00 C ATOM 551 CG MET A 76 3.915 -2.636 1.163 1.00 0.00 C ATOM 552 SD MET A 76 2.502 -1.513 1.068 1.00 0.00 S ATOM 553 CE MET A 76 1.149 -2.673 1.220 1.00 0.00 C ATOM 0 H MET A 76 4.046 -5.412 1.722 1.00 0.00 H new ATOM 0 HA MET A 76 6.204 -3.737 1.988 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.306 -3.664 2.951 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.359 -2.293 3.239 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.803 -2.125 0.790 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.738 -3.488 0.507 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.277 -2.286 0.693 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.440 -3.630 0.786 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.905 -2.811 2.273 1.00 0.00 H new ATOM 554 N SER A 77 5.435 -4.985 4.921 1.00 0.00 N ATOM 555 CA SER A 77 5.870 -5.095 6.307 1.00 0.00 C ATOM 556 C SER A 77 7.277 -5.687 6.401 1.00 0.00 C ATOM 557 O SER A 77 7.979 -5.378 7.361 1.00 0.00 O ATOM 558 CB SER A 77 4.890 -5.938 7.126 1.00 0.00 C ATOM 559 OG SER A 77 5.093 -5.711 8.514 1.00 0.00 O ATOM 0 H SER A 77 4.705 -5.650 4.665 1.00 0.00 H new ATOM 0 HA SER A 77 5.892 -4.087 6.722 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.865 -5.685 6.854 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.029 -6.995 6.898 1.00 0.00 H new ATOM 0 HG SER A 77 4.754 -6.476 9.024 1.00 0.00 H new ATOM 560 N LYS A 78 7.667 -6.558 5.463 1.00 0.00 N ATOM 561 CA LYS A 78 8.991 -7.175 5.433 1.00 0.00 C ATOM 562 C LYS A 78 9.822 -6.580 4.286 1.00 0.00 C ATOM 563 O LYS A 78 10.706 -7.241 3.743 1.00 0.00 O ATOM 564 CB LYS A 78 8.827 -8.703 5.364 1.00 0.00 C ATOM 565 CG LYS A 78 8.336 -9.247 4.015 1.00 0.00 C ATOM 566 CD LYS A 78 7.811 -10.678 4.179 1.00 0.00 C ATOM 567 CE LYS A 78 7.490 -11.303 2.817 1.00 0.00 C ATOM 568 NZ LYS A 78 6.812 -12.602 2.972 1.00 0.00 N ATOM 0 H LYS A 78 7.063 -6.855 4.697 1.00 0.00 H new ATOM 0 HA LYS A 78 9.549 -6.958 6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.786 -9.166 5.597 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.126 -9.013 6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.547 -8.606 3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.150 -9.232 3.291 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.554 -11.285 4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.916 -10.672 4.801 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.857 -10.626 2.244 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.411 -11.436 2.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.834 -13.115 2.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.299 -13.163 3.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.824 -12.446 3.258 1.00 0.00 H new ATOM 569 N LEU A 79 9.501 -5.339 3.914 1.00 0.00 N ATOM 570 CA LEU A 79 10.152 -4.571 2.870 1.00 0.00 C ATOM 571 C LEU A 79 11.531 -4.101 3.334 1.00 0.00 C ATOM 572 O LEU A 79 11.693 -3.911 4.561 1.00 0.00 O ATOM 573 CB LEU A 79 9.228 -3.383 2.589 1.00 0.00 C ATOM 574 CG LEU A 79 9.549 -2.452 1.412 1.00 0.00 C ATOM 575 CD1 LEU A 79 9.488 -3.236 0.115 1.00 0.00 C ATOM 576 CD2 LEU A 79 8.470 -1.368 1.272 1.00 0.00 C ATOM 577 OXT LEU A 79 12.388 -3.881 2.450 1.00 0.00 O ATOM 0 H LEU A 79 8.742 -4.824 4.359 1.00 0.00 H new ATOM 0 HA LEU A 79 10.313 -5.164 1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.224 -3.777 2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.193 -2.773 3.491 1.00 0.00 H new ATOM 0 HG LEU A 79 10.533 -2.020 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.716 -2.575 -0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.216 -4.047 0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.488 -3.651 -0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.715 -0.717 0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.502 -1.838 1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.426 -0.778 2.187 1.00 0.00 H new TER 578 LEU A 79 HETATM 579 FE HEM A 80 0.373 3.790 -2.125 1.00 6.41 FE HETATM 580 CHA HEM A 80 0.226 5.037 1.022 1.00 5.52 C HETATM 581 CHB HEM A 80 -0.243 0.672 -0.849 1.00 7.91 C HETATM 582 CHC HEM A 80 -0.020 2.582 -5.312 1.00 6.02 C HETATM 583 CHD HEM A 80 1.041 6.894 -3.356 1.00 10.53 C HETATM 584 NA HEM A 80 0.228 2.990 -0.294 1.00 6.22 N HETATM 585 C1A HEM A 80 0.252 3.667 0.895 1.00 6.23 C HETATM 586 C2A HEM A 80 0.327 2.753 1.995 1.00 8.27 C HETATM 587 C3A HEM A 80 0.023 1.535 1.508 1.00 7.07 C HETATM 588 C4A HEM A 80 -0.009 1.680 0.064 1.00 9.92 C HETATM 589 CMA HEM A 80 -0.166 0.279 2.307 1.00 7.00 C HETATM 590 CAA HEM A 80 0.730 3.125 3.388 1.00 7.29 C HETATM 591 CBA HEM A 80 -0.368 3.668 4.307 1.00 11.15 C HETATM 592 CGA HEM A 80 -0.263 5.175 4.509 1.00 22.27 C HETATM 593 O1A HEM A 80 0.855 5.657 4.682 1.00 18.65 O HETATM 594 O2A HEM A 80 -1.292 5.847 4.460 1.00 17.21 O HETATM 595 NB HEM A 80 -0.100 2.027 -2.911 1.00 4.54 N HETATM 596 C1B HEM A 80 -0.377 0.863 -2.221 1.00 10.91 C HETATM 597 C2B HEM A 80 -0.802 -0.155 -3.132 1.00 5.88 C HETATM 598 C3B HEM A 80 -0.510 0.289 -4.379 1.00 -0.05 C HETATM 599 C4B HEM A 80 -0.197 1.696 -4.251 1.00 4.49 C HETATM 600 CMB HEM A 80 -1.339 -1.485 -2.702 1.00 4.31 C HETATM 601 CAB HEM A 80 -0.461 -0.519 -5.653 1.00 6.35 C HETATM 602 CBB HEM A 80 -1.730 -1.292 -6.012 1.00 6.48 C HETATM 603 NC HEM A 80 0.499 4.579 -3.972 1.00 3.58 N HETATM 604 C1C HEM A 80 0.283 3.939 -5.179 1.00 4.45 C HETATM 605 C2C HEM A 80 0.479 4.867 -6.279 1.00 5.77 C HETATM 606 C3C HEM A 80 0.962 6.027 -5.734 1.00 8.44 C HETATM 607 C4C HEM A 80 0.848 5.876 -4.291 1.00 11.13 C HETATM 608 CMC HEM A 80 0.240 4.520 -7.731 1.00 8.62 C HETATM 609 CAC HEM A 80 1.535 7.264 -6.419 1.00 3.39 C HETATM 610 CBC HEM A 80 1.136 7.498 -7.882 1.00 10.94 C HETATM 611 ND HEM A 80 0.547 5.611 -1.331 1.00 4.28 N HETATM 612 C1D HEM A 80 0.846 6.790 -1.975 1.00 5.02 C HETATM 613 C2D HEM A 80 0.961 7.866 -0.993 1.00 3.97 C HETATM 614 C3D HEM A 80 0.739 7.316 0.237 1.00 5.11 C HETATM 615 C4D HEM A 80 0.458 5.933 0.004 1.00 9.05 C HETATM 616 CMD HEM A 80 1.299 9.292 -1.325 1.00 5.28 C HETATM 617 CAD HEM A 80 0.807 7.919 1.634 1.00 9.04 C HETATM 618 CBD HEM A 80 -0.428 8.709 2.065 1.00 6.36 C HETATM 619 CGD HEM A 80 -0.612 10.004 1.294 1.00 6.46 C HETATM 620 O1D HEM A 80 -1.317 9.985 0.289 1.00 8.25 O HETATM 621 O2D HEM A 80 -0.120 11.031 1.751 1.00 15.15 O HETATM 0 HMA1 HEM A 80 -0.829 -0.399 1.768 1.00 7.00 H new HETATM 0 HMA2 HEM A 80 -0.606 0.525 3.273 1.00 7.00 H new HETATM 0 HMA3 HEM A 80 0.799 -0.203 2.461 1.00 7.00 H new HETATM 0 HMB1 HEM A 80 -0.889 -1.769 -1.751 1.00 4.31 H new HETATM 0 HMB2 HEM A 80 -1.098 -2.235 -3.455 1.00 4.31 H new HETATM 0 HMB3 HEM A 80 -2.421 -1.421 -2.587 1.00 4.31 H new HETATM 0 HMC1 HEM A 80 0.431 3.458 -7.888 1.00 8.62 H new HETATM 0 HMC2 HEM A 80 0.910 5.106 -8.360 1.00 8.62 H new HETATM 0 HMC3 HEM A 80 -0.794 4.746 -7.994 1.00 8.62 H new HETATM 0 HMD1 HEM A 80 1.933 9.319 -2.211 1.00 5.28 H new HETATM 0 HMD2 HEM A 80 1.828 9.745 -0.486 1.00 5.28 H new HETATM 0 HMD3 HEM A 80 0.382 9.848 -1.519 1.00 5.28 H new HETATM 0 HBB1 HEM A 80 -1.762 -1.896 -6.919 1.00 6.48 H new HETATM 0 HBB2 HEM A 80 -2.603 -1.239 -5.361 1.00 6.48 H new HETATM 0 HBC1 HEM A 80 1.517 8.367 -8.419 1.00 10.94 H new HETATM 0 HBC2 HEM A 80 0.471 6.795 -8.385 1.00 10.94 H new HETATM 0 HBA1 HEM A 80 -0.308 3.169 5.274 1.00 11.15 H new HETATM 0 HBA2 HEM A 80 -1.344 3.428 3.884 1.00 11.15 H new HETATM 0 HAA1 HEM A 80 1.519 3.874 3.324 1.00 7.29 H new HETATM 0 HAA2 HEM A 80 1.164 2.244 3.862 1.00 7.29 H new HETATM 0 HBD1 HEM A 80 -0.353 8.935 3.129 1.00 6.36 H new HETATM 0 HBD2 HEM A 80 -1.313 8.087 1.933 1.00 6.36 H new HETATM 0 HAD1 HEM A 80 1.675 8.576 1.686 1.00 9.04 H new HETATM 0 HAD2 HEM A 80 0.972 7.115 2.351 1.00 9.04 H new HETATM 0 HHA HEM A 80 0.006 5.441 1.999 1.00 5.52 H new HETATM 0 HHB HEM A 80 -0.328 -0.337 -0.472 1.00 7.91 H new HETATM 0 HHC HEM A 80 -0.125 2.190 -6.313 1.00 6.02 H new HETATM 0 HHD HEM A 80 1.371 7.850 -3.734 1.00 10.53 H new HETATM 0 HAB HEM A 80 0.429 -0.550 -6.282 1.00 6.35 H new HETATM 0 HAC HEM A 80 2.198 7.951 -5.893 1.00 3.39 H new