USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 251 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 62 HIS HE2 : A 62 HIS NE2 : A 71 ZNZN :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 71 ZNZN :(H bumps) USER MOD Set 1.1: A 42 TYR OH : rot 30:sc= -0.361 USER MOD Set 1.2: A 56 ASN : amide:sc= -2.89 K(o=-3.2,f=-7.9!) USER MOD Single : A 43 SER OG : rot -73:sc= 0.83 USER MOD Single : A 46 HIS : no HD1:sc= -5.67 X(o=-5.7,f=-5.6!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS :FLIP no HD1:sc= -5.63! C(o=-7.2!,f=-5.6!) USER MOD Single : A 63 LYS NZ :NH3+ 157:sc= -0.116 (180deg=-0.699) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -104:sc= 0.739 USER MOD Single : A 67 GLN :FLIP amide:sc= -0.318 F(o=-1.7,f=-0.32) USER MOD Single : A 69 LYS NZ :NH3+ 159:sc= -0.217 (180deg=-0.932) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 39 -10.878 -14.262 -7.792 1.00 0.00 N ATOM 2 CA ASP A 39 -9.911 -13.677 -8.752 1.00 0.00 C ATOM 3 C ASP A 39 -9.711 -12.196 -8.455 1.00 0.00 C ATOM 4 O ASP A 39 -9.861 -11.360 -9.323 1.00 0.00 O ATOM 5 CB ASP A 39 -10.447 -13.820 -10.186 1.00 0.00 C ATOM 6 CG ASP A 39 -10.658 -15.303 -10.503 1.00 0.00 C ATOM 7 OD1 ASP A 39 -9.876 -16.083 -9.986 1.00 0.00 O ATOM 8 OD2 ASP A 39 -11.589 -15.570 -11.245 1.00 0.00 O ATOM 0 HA ASP A 39 -8.963 -14.205 -8.653 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -11.386 -13.277 -10.291 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.744 -13.381 -10.894 1.00 0.00 H new ATOM 15 N ARG A 40 -9.376 -11.899 -7.228 1.00 0.00 N ATOM 16 CA ARG A 40 -9.160 -10.478 -6.850 1.00 0.00 C ATOM 17 C ARG A 40 -10.282 -9.583 -7.413 1.00 0.00 C ATOM 18 O ARG A 40 -10.039 -8.745 -8.258 1.00 0.00 O ATOM 19 CB ARG A 40 -7.810 -10.016 -7.453 1.00 0.00 C ATOM 20 CG ARG A 40 -6.629 -10.589 -6.630 1.00 0.00 C ATOM 21 CD ARG A 40 -6.325 -12.032 -7.073 1.00 0.00 C ATOM 22 NE ARG A 40 -6.070 -12.056 -8.546 1.00 0.00 N ATOM 23 CZ ARG A 40 -4.883 -11.748 -9.001 1.00 0.00 C ATOM 24 NH1 ARG A 40 -3.879 -12.536 -8.730 1.00 0.00 N ATOM 25 NH2 ARG A 40 -4.743 -10.663 -9.713 1.00 0.00 N ATOM 0 H ARG A 40 -9.244 -12.576 -6.477 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.158 -10.395 -5.763 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.735 -10.347 -8.489 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.762 -8.927 -7.462 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.745 -9.965 -6.765 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.873 -10.570 -5.568 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.456 -12.414 -6.536 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.163 -12.684 -6.827 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.817 -12.311 -9.192 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.027 -13.377 -8.172 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.946 -12.311 -9.077 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.551 -10.072 -9.906 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.825 -10.406 -10.076 1.00 0.00 H new ATOM 39 N PRO A 41 -11.505 -9.785 -6.924 1.00 0.00 N ATOM 40 CA PRO A 41 -12.648 -8.993 -7.386 1.00 0.00 C ATOM 41 C PRO A 41 -12.493 -7.510 -7.018 1.00 0.00 C ATOM 42 O PRO A 41 -13.238 -6.674 -7.490 1.00 0.00 O ATOM 43 CB PRO A 41 -13.884 -9.603 -6.648 1.00 0.00 C ATOM 44 CG PRO A 41 -13.351 -10.744 -5.713 1.00 0.00 C ATOM 45 CD PRO A 41 -11.814 -10.810 -5.902 1.00 0.00 C ATOM 0 HA PRO A 41 -12.744 -9.030 -8.471 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.400 -8.839 -6.067 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.604 -9.998 -7.365 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.602 -10.538 -4.673 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -13.812 -11.698 -5.969 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -11.293 -10.604 -4.967 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.500 -11.801 -6.230 1.00 0.00 H new ATOM 53 N TYR A 42 -11.525 -7.218 -6.178 1.00 0.00 N ATOM 54 CA TYR A 42 -11.294 -5.798 -5.754 1.00 0.00 C ATOM 55 C TYR A 42 -9.852 -5.386 -5.970 1.00 0.00 C ATOM 56 O TYR A 42 -9.066 -5.376 -5.057 1.00 0.00 O ATOM 57 CB TYR A 42 -11.611 -5.687 -4.255 1.00 0.00 C ATOM 58 CG TYR A 42 -13.104 -5.934 -4.042 1.00 0.00 C ATOM 59 CD1 TYR A 42 -13.609 -7.216 -4.055 1.00 0.00 C ATOM 60 CD2 TYR A 42 -13.969 -4.877 -3.836 1.00 0.00 C ATOM 61 CE1 TYR A 42 -14.955 -7.439 -3.864 1.00 0.00 C ATOM 62 CE2 TYR A 42 -15.314 -5.100 -3.645 1.00 0.00 C ATOM 63 CZ TYR A 42 -15.819 -6.383 -3.657 1.00 0.00 C ATOM 64 OH TYR A 42 -17.168 -6.607 -3.466 1.00 0.00 O ATOM 0 H TYR A 42 -10.887 -7.900 -5.769 1.00 0.00 H new ATOM 0 HA TYR A 42 -11.933 -5.146 -6.349 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -11.025 -6.413 -3.692 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -11.336 -4.699 -3.884 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -12.945 -8.052 -4.216 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -13.587 -3.867 -3.825 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -15.337 -8.449 -3.876 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -15.978 -4.264 -3.485 1.00 0.00 H new ATOM 0 HH TYR A 42 -17.298 -7.480 -3.040 1.00 0.00 H new ATOM 74 N SER A 43 -9.532 -5.057 -7.186 1.00 0.00 N ATOM 75 CA SER A 43 -8.131 -4.633 -7.506 1.00 0.00 C ATOM 76 C SER A 43 -8.063 -3.125 -7.729 1.00 0.00 C ATOM 77 O SER A 43 -8.028 -2.668 -8.854 1.00 0.00 O ATOM 78 CB SER A 43 -7.708 -5.336 -8.800 1.00 0.00 C ATOM 79 OG SER A 43 -6.519 -4.664 -9.189 1.00 0.00 O ATOM 0 H SER A 43 -10.175 -5.061 -7.978 1.00 0.00 H new ATOM 0 HA SER A 43 -7.475 -4.896 -6.676 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.529 -6.399 -8.636 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.479 -5.257 -9.566 1.00 0.00 H new ATOM 0 HG SER A 43 -6.744 -3.775 -9.535 1.00 0.00 H new ATOM 85 N CYS A 44 -8.046 -2.371 -6.653 1.00 0.00 N ATOM 86 CA CYS A 44 -7.981 -0.899 -6.806 1.00 0.00 C ATOM 87 C CYS A 44 -6.893 -0.507 -7.793 1.00 0.00 C ATOM 88 O CYS A 44 -5.980 -1.267 -8.052 1.00 0.00 O ATOM 89 CB CYS A 44 -7.652 -0.280 -5.439 1.00 0.00 C ATOM 90 SG CYS A 44 -7.308 1.495 -5.397 1.00 0.00 S ATOM 0 H CYS A 44 -8.074 -2.714 -5.693 1.00 0.00 H new ATOM 0 HA CYS A 44 -8.940 -0.539 -7.178 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -8.488 -0.478 -4.768 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.786 -0.802 -5.031 1.00 0.00 H new ATOM 95 N ASP A 45 -7.009 0.676 -8.329 1.00 0.00 N ATOM 96 CA ASP A 45 -5.992 1.147 -9.305 1.00 0.00 C ATOM 97 C ASP A 45 -5.944 2.665 -9.328 1.00 0.00 C ATOM 98 O ASP A 45 -5.964 3.275 -10.379 1.00 0.00 O ATOM 99 CB ASP A 45 -6.388 0.640 -10.701 1.00 0.00 C ATOM 100 CG ASP A 45 -6.113 -0.863 -10.790 1.00 0.00 C ATOM 101 OD1 ASP A 45 -4.961 -1.214 -10.592 1.00 0.00 O ATOM 102 OD2 ASP A 45 -7.068 -1.574 -11.050 1.00 0.00 O ATOM 0 H ASP A 45 -7.763 1.334 -8.133 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.011 0.767 -9.018 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.443 0.840 -10.887 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.823 1.171 -11.467 1.00 0.00 H new ATOM 107 N HIS A 46 -5.883 3.249 -8.164 1.00 0.00 N ATOM 108 CA HIS A 46 -5.833 4.726 -8.091 1.00 0.00 C ATOM 109 C HIS A 46 -4.431 5.217 -8.551 1.00 0.00 C ATOM 110 O HIS A 46 -3.447 4.533 -8.347 1.00 0.00 O ATOM 111 CB HIS A 46 -6.104 5.119 -6.597 1.00 0.00 C ATOM 112 CG HIS A 46 -5.353 6.403 -6.202 1.00 0.00 C ATOM 113 ND1 HIS A 46 -5.857 7.545 -6.155 1.00 0.00 N ATOM 114 CD2 HIS A 46 -4.040 6.565 -5.815 1.00 0.00 C ATOM 115 CE1 HIS A 46 -5.011 8.412 -5.782 1.00 0.00 C ATOM 116 NE2 HIS A 46 -3.813 7.880 -5.540 1.00 0.00 N ATOM 0 H HIS A 46 -5.866 2.765 -7.266 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.576 5.188 -8.741 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.174 5.262 -6.447 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.797 4.302 -5.944 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.307 5.775 -5.741 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.235 9.463 -5.673 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.955 8.336 -5.231 1.00 0.00 H new ATOM 124 N PRO A 47 -4.364 6.401 -9.167 1.00 0.00 N ATOM 125 CA PRO A 47 -3.085 6.933 -9.631 1.00 0.00 C ATOM 126 C PRO A 47 -2.012 6.847 -8.539 1.00 0.00 C ATOM 127 O PRO A 47 -1.999 7.631 -7.610 1.00 0.00 O ATOM 128 CB PRO A 47 -3.382 8.423 -10.005 1.00 0.00 C ATOM 129 CG PRO A 47 -4.932 8.629 -9.871 1.00 0.00 C ATOM 130 CD PRO A 47 -5.531 7.272 -9.413 1.00 0.00 C ATOM 0 HA PRO A 47 -2.695 6.365 -10.475 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.844 9.101 -9.343 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.051 8.639 -11.021 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.156 9.413 -9.148 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.364 8.940 -10.822 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.132 7.390 -8.511 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.183 6.851 -10.178 1.00 0.00 H new ATOM 138 N GLY A 48 -1.130 5.885 -8.678 1.00 0.00 N ATOM 139 CA GLY A 48 -0.040 5.718 -7.663 1.00 0.00 C ATOM 140 C GLY A 48 -0.447 4.705 -6.586 1.00 0.00 C ATOM 141 O GLY A 48 -0.379 4.993 -5.408 1.00 0.00 O ATOM 0 H GLY A 48 -1.117 5.212 -9.445 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.873 5.384 -8.156 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.181 6.679 -7.199 1.00 0.00 H new ATOM 145 N CYS A 49 -0.863 3.533 -7.013 1.00 0.00 N ATOM 146 CA CYS A 49 -1.277 2.490 -6.023 1.00 0.00 C ATOM 147 C CYS A 49 -0.908 1.098 -6.508 1.00 0.00 C ATOM 148 O CYS A 49 -0.658 0.886 -7.678 1.00 0.00 O ATOM 149 CB CYS A 49 -2.797 2.546 -5.855 1.00 0.00 C ATOM 150 SG CYS A 49 -3.568 1.187 -4.940 1.00 0.00 S ATOM 0 H CYS A 49 -0.932 3.258 -7.993 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.765 2.687 -5.081 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.049 3.480 -5.353 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.247 2.586 -6.847 1.00 0.00 H new ATOM 155 N ASP A 50 -0.882 0.172 -5.590 1.00 0.00 N ATOM 156 CA ASP A 50 -0.533 -1.220 -5.962 1.00 0.00 C ATOM 157 C ASP A 50 -0.965 -2.194 -4.870 1.00 0.00 C ATOM 158 O ASP A 50 -0.481 -3.306 -4.801 1.00 0.00 O ATOM 159 CB ASP A 50 0.991 -1.309 -6.130 1.00 0.00 C ATOM 160 CG ASP A 50 1.671 -0.633 -4.938 1.00 0.00 C ATOM 161 OD1 ASP A 50 1.365 -1.049 -3.832 1.00 0.00 O ATOM 162 OD2 ASP A 50 2.458 0.261 -5.199 1.00 0.00 O ATOM 0 H ASP A 50 -1.087 0.322 -4.602 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.045 -1.482 -6.888 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.301 -2.352 -6.197 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.295 -0.826 -7.059 1.00 0.00 H new ATOM 167 N LYS A 51 -1.875 -1.757 -4.030 1.00 0.00 N ATOM 168 CA LYS A 51 -2.354 -2.644 -2.930 1.00 0.00 C ATOM 169 C LYS A 51 -3.548 -3.483 -3.382 1.00 0.00 C ATOM 170 O LYS A 51 -4.675 -3.029 -3.353 1.00 0.00 O ATOM 171 CB LYS A 51 -2.792 -1.755 -1.747 1.00 0.00 C ATOM 172 CG LYS A 51 -2.839 -2.610 -0.466 1.00 0.00 C ATOM 173 CD LYS A 51 -3.139 -1.709 0.758 1.00 0.00 C ATOM 174 CE LYS A 51 -1.831 -1.124 1.317 1.00 0.00 C ATOM 175 NZ LYS A 51 -2.110 0.092 2.132 1.00 0.00 N ATOM 0 H LYS A 51 -2.302 -0.831 -4.061 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.547 -3.318 -2.641 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.095 -0.926 -1.621 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.772 -1.320 -1.945 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.606 -3.379 -0.559 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.888 -3.124 -0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.813 -0.902 0.469 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.647 -2.288 1.530 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.324 -1.870 1.928 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.158 -0.873 0.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.216 0.475 2.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.574 0.809 1.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.734 -0.158 2.925 1.00 0.00 H new ATOM 189 N ALA A 52 -3.277 -4.691 -3.793 1.00 0.00 N ATOM 190 CA ALA A 52 -4.384 -5.568 -4.249 1.00 0.00 C ATOM 191 C ALA A 52 -5.206 -6.049 -3.067 1.00 0.00 C ATOM 192 O ALA A 52 -4.776 -5.974 -1.934 1.00 0.00 O ATOM 193 CB ALA A 52 -3.779 -6.788 -4.961 1.00 0.00 C ATOM 0 H ALA A 52 -2.345 -5.103 -3.832 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.031 -5.006 -4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.580 -7.444 -5.303 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.192 -6.456 -5.817 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.136 -7.331 -4.269 1.00 0.00 H new ATOM 199 N PHE A 53 -6.384 -6.538 -3.354 1.00 0.00 N ATOM 200 CA PHE A 53 -7.270 -7.037 -2.257 1.00 0.00 C ATOM 201 C PHE A 53 -8.045 -8.273 -2.699 1.00 0.00 C ATOM 202 O PHE A 53 -7.981 -8.680 -3.842 1.00 0.00 O ATOM 203 CB PHE A 53 -8.281 -5.922 -1.914 1.00 0.00 C ATOM 204 CG PHE A 53 -7.598 -4.861 -1.052 1.00 0.00 C ATOM 205 CD1 PHE A 53 -7.533 -5.003 0.321 1.00 0.00 C ATOM 206 CD2 PHE A 53 -7.046 -3.733 -1.637 1.00 0.00 C ATOM 207 CE1 PHE A 53 -6.928 -4.034 1.095 1.00 0.00 C ATOM 208 CE2 PHE A 53 -6.441 -2.768 -0.861 1.00 0.00 C ATOM 209 CZ PHE A 53 -6.383 -2.919 0.503 1.00 0.00 C ATOM 0 H PHE A 53 -6.771 -6.614 -4.295 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.656 -7.300 -1.396 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -8.665 -5.471 -2.829 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.135 -6.342 -1.383 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.958 -5.877 0.791 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.090 -3.609 -2.709 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.882 -4.152 2.168 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.012 -1.892 -1.326 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.909 -2.162 1.110 1.00 0.00 H new ATOM 219 N VAL A 54 -8.769 -8.846 -1.768 1.00 0.00 N ATOM 220 CA VAL A 54 -9.576 -10.065 -2.079 1.00 0.00 C ATOM 221 C VAL A 54 -10.971 -9.923 -1.487 1.00 0.00 C ATOM 222 O VAL A 54 -11.944 -10.373 -2.059 1.00 0.00 O ATOM 223 CB VAL A 54 -8.889 -11.280 -1.433 1.00 0.00 C ATOM 224 CG1 VAL A 54 -9.508 -12.563 -1.993 1.00 0.00 C ATOM 225 CG2 VAL A 54 -7.396 -11.254 -1.767 1.00 0.00 C ATOM 0 H VAL A 54 -8.835 -8.520 -0.804 1.00 0.00 H new ATOM 0 HA VAL A 54 -9.650 -10.191 -3.159 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.023 -11.246 -0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.025 -13.428 -1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.574 -12.582 -1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.366 -12.594 -3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.906 -12.114 -1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.264 -11.293 -2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.953 -10.336 -1.380 1.00 0.00 H new ATOM 235 N ARG A 55 -11.037 -9.294 -0.343 1.00 0.00 N ATOM 236 CA ARG A 55 -12.350 -9.101 0.317 1.00 0.00 C ATOM 237 C ARG A 55 -13.132 -7.992 -0.381 1.00 0.00 C ATOM 238 O ARG A 55 -13.041 -7.830 -1.580 1.00 0.00 O ATOM 239 CB ARG A 55 -12.080 -8.708 1.802 1.00 0.00 C ATOM 240 CG ARG A 55 -13.176 -9.288 2.713 1.00 0.00 C ATOM 241 CD ARG A 55 -12.766 -9.090 4.174 1.00 0.00 C ATOM 242 NE ARG A 55 -11.719 -10.096 4.523 1.00 0.00 N ATOM 243 CZ ARG A 55 -10.964 -9.901 5.570 1.00 0.00 C ATOM 244 NH1 ARG A 55 -10.550 -8.692 5.833 1.00 0.00 N ATOM 245 NH2 ARG A 55 -10.646 -10.922 6.319 1.00 0.00 N ATOM 0 H ARG A 55 -10.237 -8.908 0.158 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.940 -10.016 0.264 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.104 -9.081 2.113 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.053 -7.623 1.899 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.128 -8.793 2.519 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.319 -10.348 2.502 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.384 -8.080 4.325 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.631 -9.204 4.827 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.595 -10.929 3.948 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.817 -7.918 5.225 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.959 -8.521 6.647 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.987 -11.854 6.082 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.057 -10.788 7.141 1.00 0.00 H new ATOM 259 N ASN A 56 -13.888 -7.248 0.386 1.00 0.00 N ATOM 260 CA ASN A 56 -14.697 -6.130 -0.209 1.00 0.00 C ATOM 261 C ASN A 56 -14.551 -4.855 0.607 1.00 0.00 C ATOM 262 O ASN A 56 -13.914 -3.913 0.179 1.00 0.00 O ATOM 263 CB ASN A 56 -16.175 -6.542 -0.201 1.00 0.00 C ATOM 264 CG ASN A 56 -17.017 -5.417 -0.807 1.00 0.00 C ATOM 265 OD1 ASN A 56 -16.510 -4.372 -1.166 1.00 0.00 O ATOM 266 ND2 ASN A 56 -18.303 -5.589 -0.938 1.00 0.00 N ATOM 0 H ASN A 56 -13.983 -7.362 1.395 1.00 0.00 H new ATOM 0 HA ASN A 56 -14.342 -5.942 -1.222 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -16.311 -7.461 -0.771 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -16.502 -6.748 0.818 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -18.878 -4.849 -1.340 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -18.734 -6.464 -0.638 1.00 0.00 H new ATOM 273 N HIS A 57 -15.144 -4.842 1.771 1.00 0.00 N ATOM 274 CA HIS A 57 -15.043 -3.628 2.618 1.00 0.00 C ATOM 275 C HIS A 57 -13.602 -3.126 2.684 1.00 0.00 C ATOM 276 O HIS A 57 -13.356 -1.986 3.022 1.00 0.00 O ATOM 277 CB HIS A 57 -15.556 -3.970 4.041 1.00 0.00 C ATOM 278 CG HIS A 57 -14.493 -4.752 4.820 1.00 0.00 C ATOM 279 ND1 HIS A 57 -13.268 -4.333 5.297 1.00 0.00 N flip ATOM 280 CD2 HIS A 57 -14.598 -5.945 5.175 1.00 0.00 C flip ATOM 281 CE1 HIS A 57 -12.667 -5.364 5.953 1.00 0.00 C flip ATOM 282 NE2 HIS A 57 -13.578 -6.330 5.822 1.00 0.00 N flip ATOM 0 H HIS A 57 -15.686 -5.611 2.165 1.00 0.00 H new ATOM 0 HA HIS A 57 -15.651 -2.835 2.183 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -15.805 -3.053 4.575 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -16.471 -4.558 3.973 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -15.451 -6.570 4.958 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.708 -5.392 6.448 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -13.466 -7.271 6.199 1.00 0.00 H new ATOM 290 N ASP A 58 -12.677 -3.988 2.360 1.00 0.00 N ATOM 291 CA ASP A 58 -11.260 -3.569 2.400 1.00 0.00 C ATOM 292 C ASP A 58 -11.015 -2.510 1.338 1.00 0.00 C ATOM 293 O ASP A 58 -10.333 -1.536 1.573 1.00 0.00 O ATOM 294 CB ASP A 58 -10.377 -4.788 2.104 1.00 0.00 C ATOM 295 CG ASP A 58 -10.620 -5.860 3.166 1.00 0.00 C ATOM 296 OD1 ASP A 58 -11.672 -5.785 3.779 1.00 0.00 O ATOM 297 OD2 ASP A 58 -9.740 -6.694 3.306 1.00 0.00 O ATOM 0 H ASP A 58 -12.844 -4.952 2.073 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.023 -3.161 3.383 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.604 -5.183 1.114 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.326 -4.497 2.098 1.00 0.00 H new ATOM 302 N LEU A 59 -11.586 -2.729 0.183 1.00 0.00 N ATOM 303 CA LEU A 59 -11.415 -1.757 -0.926 1.00 0.00 C ATOM 304 C LEU A 59 -12.102 -0.444 -0.566 1.00 0.00 C ATOM 305 O LEU A 59 -11.670 0.620 -0.960 1.00 0.00 O ATOM 306 CB LEU A 59 -12.080 -2.378 -2.194 1.00 0.00 C ATOM 307 CG LEU A 59 -11.270 -2.034 -3.467 1.00 0.00 C ATOM 308 CD1 LEU A 59 -11.195 -0.506 -3.630 1.00 0.00 C ATOM 309 CD2 LEU A 59 -9.830 -2.642 -3.375 1.00 0.00 C ATOM 0 H LEU A 59 -12.163 -3.541 -0.036 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.360 -1.553 -1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.146 -3.460 -2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.099 -2.005 -2.295 1.00 0.00 H new ATOM 0 HG LEU A 59 -11.769 -2.463 -4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.625 -0.263 -4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.202 -0.100 -3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.705 -0.071 -2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.271 -2.392 -4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.317 -2.232 -2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.898 -3.726 -3.279 1.00 0.00 H new ATOM 321 N ILE A 60 -13.164 -0.547 0.182 1.00 0.00 N ATOM 322 CA ILE A 60 -13.890 0.674 0.579 1.00 0.00 C ATOM 323 C ILE A 60 -13.065 1.465 1.577 1.00 0.00 C ATOM 324 O ILE A 60 -12.969 2.673 1.493 1.00 0.00 O ATOM 325 CB ILE A 60 -15.214 0.271 1.231 1.00 0.00 C ATOM 326 CG1 ILE A 60 -15.938 -0.748 0.344 1.00 0.00 C ATOM 327 CG2 ILE A 60 -16.097 1.524 1.360 1.00 0.00 C ATOM 328 CD1 ILE A 60 -17.271 -1.171 1.007 1.00 0.00 C ATOM 0 H ILE A 60 -13.554 -1.423 0.531 1.00 0.00 H new ATOM 0 HA ILE A 60 -14.074 1.290 -0.301 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.022 -0.168 2.210 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -16.131 -0.316 -0.638 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -15.306 -1.622 0.189 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -17.046 1.254 1.823 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.589 2.265 1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -16.282 1.942 0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -17.780 -1.895 0.371 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -17.067 -1.621 1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -17.906 -0.295 1.139 1.00 0.00 H new ATOM 340 N ARG A 61 -12.478 0.764 2.508 1.00 0.00 N ATOM 341 CA ARG A 61 -11.651 1.452 3.523 1.00 0.00 C ATOM 342 C ARG A 61 -10.307 1.829 2.923 1.00 0.00 C ATOM 343 O ARG A 61 -9.700 2.805 3.314 1.00 0.00 O ATOM 344 CB ARG A 61 -11.418 0.489 4.698 1.00 0.00 C ATOM 345 CG ARG A 61 -10.785 1.260 5.860 1.00 0.00 C ATOM 346 CD ARG A 61 -10.793 0.378 7.110 1.00 0.00 C ATOM 347 NE ARG A 61 -9.935 1.010 8.155 1.00 0.00 N ATOM 348 CZ ARG A 61 -10.065 0.640 9.401 1.00 0.00 C ATOM 349 NH1 ARG A 61 -9.771 -0.589 9.728 1.00 0.00 N ATOM 350 NH2 ARG A 61 -10.482 1.512 10.278 1.00 0.00 N ATOM 0 H ARG A 61 -12.538 -0.250 2.605 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.161 2.354 3.862 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.362 0.044 5.012 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.767 -0.329 4.390 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.764 1.547 5.609 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.338 2.181 6.046 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.811 0.259 7.480 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.422 -0.619 6.870 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.253 1.724 7.899 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.446 -1.242 9.015 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.866 -0.896 10.696 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.700 2.465 9.986 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.590 1.241 11.255 1.00 0.00 H new ATOM 364 N HIS A 62 -9.864 1.040 1.975 1.00 0.00 N ATOM 365 CA HIS A 62 -8.562 1.330 1.331 1.00 0.00 C ATOM 366 C HIS A 62 -8.720 2.456 0.306 1.00 0.00 C ATOM 367 O HIS A 62 -7.834 3.270 0.136 1.00 0.00 O ATOM 368 CB HIS A 62 -8.066 0.040 0.624 1.00 0.00 C ATOM 369 CG HIS A 62 -6.976 0.388 -0.396 1.00 0.00 C ATOM 370 ND1 HIS A 62 -5.750 0.371 -0.167 1.00 0.00 N ATOM 371 CD2 HIS A 62 -7.106 0.860 -1.686 1.00 0.00 C ATOM 372 CE1 HIS A 62 -5.086 0.791 -1.160 1.00 0.00 C ATOM 373 NE2 HIS A 62 -5.870 1.135 -2.184 1.00 0.00 N ATOM 0 H HIS A 62 -10.350 0.214 1.626 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.840 1.647 2.083 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -7.675 -0.661 1.361 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -8.899 -0.454 0.124 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.334 0.058 0.710 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -8.038 0.990 -2.215 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.009 0.863 -1.177 1.00 0.00 H new ATOM 381 N LYS A 63 -9.846 2.480 -0.359 1.00 0.00 N ATOM 382 CA LYS A 63 -10.069 3.538 -1.366 1.00 0.00 C ATOM 383 C LYS A 63 -10.356 4.876 -0.695 1.00 0.00 C ATOM 384 O LYS A 63 -10.259 5.915 -1.316 1.00 0.00 O ATOM 385 CB LYS A 63 -11.277 3.138 -2.227 1.00 0.00 C ATOM 386 CG LYS A 63 -11.579 4.263 -3.224 1.00 0.00 C ATOM 387 CD LYS A 63 -12.515 3.733 -4.314 1.00 0.00 C ATOM 388 CE LYS A 63 -12.714 4.818 -5.373 1.00 0.00 C ATOM 389 NZ LYS A 63 -11.415 5.160 -6.019 1.00 0.00 N ATOM 0 H LYS A 63 -10.610 1.815 -0.244 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.173 3.645 -1.977 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.068 2.210 -2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.145 2.954 -1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.041 5.106 -2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.654 4.629 -3.669 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.093 2.837 -4.769 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.474 3.450 -3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.422 4.474 -6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.144 5.708 -4.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.592 5.576 -6.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.903 5.845 -5.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.843 4.298 -6.126 1.00 0.00 H new ATOM 403 N LYS A 64 -10.705 4.829 0.564 1.00 0.00 N ATOM 404 CA LYS A 64 -10.998 6.094 1.281 1.00 0.00 C ATOM 405 C LYS A 64 -9.692 6.833 1.599 1.00 0.00 C ATOM 406 O LYS A 64 -9.697 8.014 1.887 1.00 0.00 O ATOM 407 CB LYS A 64 -11.755 5.743 2.614 1.00 0.00 C ATOM 408 CG LYS A 64 -13.194 6.300 2.565 1.00 0.00 C ATOM 409 CD LYS A 64 -13.166 7.843 2.728 1.00 0.00 C ATOM 410 CE LYS A 64 -13.189 8.219 4.221 1.00 0.00 C ATOM 411 NZ LYS A 64 -12.581 9.564 4.426 1.00 0.00 N ATOM 0 H LYS A 64 -10.798 3.977 1.117 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.616 6.741 0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.779 4.662 2.755 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.222 6.164 3.467 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.665 6.034 1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.794 5.852 3.357 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.271 8.250 2.256 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.023 8.286 2.221 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.216 8.217 4.588 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.643 7.474 4.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.603 9.805 5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.595 9.554 4.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.119 10.274 3.889 1.00 0.00 H new ATOM 425 N SER A 65 -8.599 6.117 1.541 1.00 0.00 N ATOM 426 CA SER A 65 -7.290 6.754 1.834 1.00 0.00 C ATOM 427 C SER A 65 -6.795 7.548 0.631 1.00 0.00 C ATOM 428 O SER A 65 -6.028 8.480 0.771 1.00 0.00 O ATOM 429 CB SER A 65 -6.271 5.647 2.150 1.00 0.00 C ATOM 430 OG SER A 65 -6.270 4.834 0.986 1.00 0.00 O ATOM 0 H SER A 65 -8.560 5.126 1.305 1.00 0.00 H new ATOM 0 HA SER A 65 -7.405 7.433 2.679 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.282 6.060 2.348 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.562 5.078 3.033 1.00 0.00 H new ATOM 0 HG SER A 65 -6.773 4.011 1.161 1.00 0.00 H new ATOM 436 N HIS A 66 -7.241 7.163 -0.536 1.00 0.00 N ATOM 437 CA HIS A 66 -6.806 7.886 -1.757 1.00 0.00 C ATOM 438 C HIS A 66 -7.438 9.276 -1.814 1.00 0.00 C ATOM 439 O HIS A 66 -7.413 9.928 -2.838 1.00 0.00 O ATOM 440 CB HIS A 66 -7.264 7.081 -2.993 1.00 0.00 C ATOM 441 CG HIS A 66 -6.325 5.892 -3.208 1.00 0.00 C ATOM 442 ND1 HIS A 66 -5.079 5.945 -3.161 1.00 0.00 N ATOM 443 CD2 HIS A 66 -6.625 4.572 -3.489 1.00 0.00 C ATOM 444 CE1 HIS A 66 -4.557 4.811 -3.378 1.00 0.00 C ATOM 445 NE2 HIS A 66 -5.472 3.863 -3.601 1.00 0.00 N ATOM 0 H HIS A 66 -7.882 6.385 -0.692 1.00 0.00 H new ATOM 0 HA HIS A 66 -5.721 7.993 -1.741 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.286 6.729 -2.852 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.266 7.720 -3.876 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -4.547 6.795 -2.972 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.620 4.168 -3.602 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.492 4.631 -3.382 1.00 0.00 H new ATOM 453 N GLN A 67 -7.992 9.704 -0.711 1.00 0.00 N ATOM 454 CA GLN A 67 -8.628 11.046 -0.689 1.00 0.00 C ATOM 455 C GLN A 67 -8.863 11.513 0.745 1.00 0.00 C ATOM 456 O GLN A 67 -9.933 11.332 1.292 1.00 0.00 O ATOM 457 CB GLN A 67 -9.987 10.944 -1.417 1.00 0.00 C ATOM 458 CG GLN A 67 -10.687 12.315 -1.427 1.00 0.00 C ATOM 459 CD GLN A 67 -9.786 13.348 -2.111 1.00 0.00 C ATOM 460 OE1 GLN A 67 -8.957 12.951 -3.036 1.00 0.00 O flip ATOM 461 NE2 GLN A 67 -9.832 14.524 -1.808 1.00 0.00 N flip ATOM 0 H GLN A 67 -8.030 9.185 0.166 1.00 0.00 H new ATOM 0 HA GLN A 67 -7.972 11.765 -1.180 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.835 10.597 -2.439 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.620 10.208 -0.921 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.640 12.244 -1.952 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.908 12.629 -0.407 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.479 14.839 -1.085 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.224 15.196 -2.277 1.00 0.00 H new ATOM 470 N GLU A 68 -7.847 12.106 1.334 1.00 0.00 N ATOM 471 CA GLU A 68 -7.978 12.603 2.743 1.00 0.00 C ATOM 472 C GLU A 68 -8.087 14.122 2.767 1.00 0.00 C ATOM 473 O GLU A 68 -7.225 14.802 3.286 1.00 0.00 O ATOM 474 CB GLU A 68 -6.715 12.190 3.516 1.00 0.00 C ATOM 475 CG GLU A 68 -6.684 10.666 3.646 1.00 0.00 C ATOM 476 CD GLU A 68 -5.572 10.264 4.616 1.00 0.00 C ATOM 477 OE1 GLU A 68 -5.874 10.218 5.797 1.00 0.00 O ATOM 478 OE2 GLU A 68 -4.482 10.025 4.121 1.00 0.00 O ATOM 0 H GLU A 68 -6.937 12.266 0.901 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.875 12.178 3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.824 12.541 2.996 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.710 12.652 4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.646 10.301 4.006 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.514 10.210 2.671 1.00 0.00 H new ATOM 485 N LYS A 69 -9.151 14.628 2.202 1.00 0.00 N ATOM 486 CA LYS A 69 -9.337 16.100 2.179 1.00 0.00 C ATOM 487 C LYS A 69 -8.097 16.797 1.633 1.00 0.00 C ATOM 488 O LYS A 69 -7.221 17.184 2.378 1.00 0.00 O ATOM 489 CB LYS A 69 -9.584 16.586 3.619 1.00 0.00 C ATOM 490 CG LYS A 69 -9.972 18.072 3.591 1.00 0.00 C ATOM 491 CD LYS A 69 -10.609 18.457 4.932 1.00 0.00 C ATOM 492 CE LYS A 69 -9.583 18.279 6.058 1.00 0.00 C ATOM 493 NZ LYS A 69 -8.263 18.849 5.663 1.00 0.00 N ATOM 0 H LYS A 69 -9.893 14.086 1.759 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.184 16.338 1.535 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.377 15.999 4.082 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.688 16.443 4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.091 18.686 3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.671 18.262 2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.953 19.491 4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.484 17.836 5.122 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.940 18.770 6.963 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.472 17.220 6.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.701 19.047 6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.755 18.167 5.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.411 19.732 5.133 1.00 0.00 H new ATOM 507 N ALA A 70 -8.045 16.944 0.336 1.00 0.00 N ATOM 508 CA ALA A 70 -6.870 17.612 -0.275 1.00 0.00 C ATOM 509 C ALA A 70 -7.118 17.901 -1.750 1.00 0.00 C ATOM 510 O ALA A 70 -8.284 17.946 -2.105 1.00 0.00 O ATOM 511 CB ALA A 70 -5.662 16.674 -0.150 1.00 0.00 C ATOM 512 OXT ALA A 70 -6.126 18.060 -2.444 1.00 0.00 O ATOM 0 H ALA A 70 -8.762 16.632 -0.319 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.688 18.556 0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.786 17.147 -0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.469 16.468 0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.872 15.739 -0.670 1.00 0.00 H new TER 518 ALA A 70 HETATM 519 ZN ZN A 71 -5.533 1.904 -3.996 1.00 0.00 ZN