USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=6 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 180:sc= -1.66! USER MOD Set 1.2: A 56 ASN : amide:sc= -5.19! C(o=-6.9!,f=-10!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -9.79! C(o=-11!,f=-9.8!) USER MOD Single : A 51 LYS NZ :NH3+ -160:sc= -0.0618 (180deg=-0.458) USER MOD Single : A 57 HIS : no HE2:sc= -5.23! C(o=-5.2!,f=-13!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -160:sc= -2.26! USER MOD Single : A 67 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.99) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 39 -10.254 -13.734 -10.186 1.00 0.00 N ATOM 2 CA ASP A 39 -11.035 -13.738 -8.927 1.00 0.00 C ATOM 3 C ASP A 39 -10.573 -12.599 -8.024 1.00 0.00 C ATOM 4 O ASP A 39 -10.083 -12.824 -6.935 1.00 0.00 O ATOM 5 CB ASP A 39 -10.832 -15.074 -8.188 1.00 0.00 C ATOM 6 CG ASP A 39 -9.352 -15.457 -8.229 1.00 0.00 C ATOM 7 OD1 ASP A 39 -8.582 -14.708 -7.652 1.00 0.00 O ATOM 8 OD2 ASP A 39 -9.075 -16.479 -8.835 1.00 0.00 O ATOM 0 HA ASP A 39 -12.090 -13.609 -9.171 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -11.168 -14.985 -7.155 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -11.434 -15.855 -8.653 1.00 0.00 H new ATOM 15 N ARG A 40 -10.741 -11.386 -8.499 1.00 0.00 N ATOM 16 CA ARG A 40 -10.321 -10.196 -7.692 1.00 0.00 C ATOM 17 C ARG A 40 -11.370 -9.075 -7.798 1.00 0.00 C ATOM 18 O ARG A 40 -11.106 -8.030 -8.356 1.00 0.00 O ATOM 19 CB ARG A 40 -8.992 -9.671 -8.270 1.00 0.00 C ATOM 20 CG ARG A 40 -7.855 -10.621 -7.878 1.00 0.00 C ATOM 21 CD ARG A 40 -6.619 -10.299 -8.721 1.00 0.00 C ATOM 22 NE ARG A 40 -5.542 -11.277 -8.399 1.00 0.00 N ATOM 23 CZ ARG A 40 -5.755 -12.552 -8.589 1.00 0.00 C ATOM 24 NH1 ARG A 40 -6.340 -13.240 -7.648 1.00 0.00 N ATOM 25 NH2 ARG A 40 -5.375 -13.094 -9.714 1.00 0.00 N ATOM 0 H ARG A 40 -11.150 -11.170 -9.408 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.215 -10.488 -6.647 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.059 -9.595 -9.355 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.789 -8.669 -7.893 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.625 -10.515 -6.818 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.159 -11.656 -8.036 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.865 -10.346 -9.782 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.279 -9.284 -8.517 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.646 -10.954 -8.033 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.623 -12.782 -6.782 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.515 -14.236 -7.778 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.920 -12.524 -10.427 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.533 -14.088 -9.880 1.00 0.00 H new ATOM 39 N PRO A 41 -12.558 -9.322 -7.249 1.00 0.00 N ATOM 40 CA PRO A 41 -13.638 -8.330 -7.288 1.00 0.00 C ATOM 41 C PRO A 41 -13.205 -6.997 -6.666 1.00 0.00 C ATOM 42 O PRO A 41 -13.961 -6.048 -6.633 1.00 0.00 O ATOM 43 CB PRO A 41 -14.788 -8.965 -6.450 1.00 0.00 C ATOM 44 CG PRO A 41 -14.377 -10.445 -6.148 1.00 0.00 C ATOM 45 CD PRO A 41 -12.893 -10.592 -6.565 1.00 0.00 C ATOM 0 HA PRO A 41 -13.934 -8.104 -8.312 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.940 -8.411 -5.524 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -15.729 -8.931 -7.000 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -14.506 -10.674 -5.090 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -15.005 -11.142 -6.703 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.254 -10.753 -5.697 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.752 -11.446 -7.228 1.00 0.00 H new ATOM 53 N TYR A 42 -11.993 -6.957 -6.189 1.00 0.00 N ATOM 54 CA TYR A 42 -11.485 -5.719 -5.571 1.00 0.00 C ATOM 55 C TYR A 42 -9.986 -5.624 -5.737 1.00 0.00 C ATOM 56 O TYR A 42 -9.234 -6.304 -5.075 1.00 0.00 O ATOM 57 CB TYR A 42 -11.815 -5.747 -4.073 1.00 0.00 C ATOM 58 CG TYR A 42 -13.336 -5.671 -3.898 1.00 0.00 C ATOM 59 CD1 TYR A 42 -14.002 -4.474 -4.063 1.00 0.00 C ATOM 60 CD2 TYR A 42 -14.062 -6.797 -3.581 1.00 0.00 C ATOM 61 CE1 TYR A 42 -15.371 -4.406 -3.914 1.00 0.00 C ATOM 62 CE2 TYR A 42 -15.431 -6.730 -3.433 1.00 0.00 C ATOM 63 CZ TYR A 42 -16.097 -5.534 -3.598 1.00 0.00 C ATOM 64 OH TYR A 42 -17.467 -5.467 -3.447 1.00 0.00 O ATOM 0 H TYR A 42 -11.335 -7.736 -6.204 1.00 0.00 H new ATOM 0 HA TYR A 42 -11.952 -4.860 -6.054 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -11.428 -6.659 -3.619 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -11.335 -4.910 -3.566 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -13.446 -3.582 -4.311 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -13.555 -7.741 -3.447 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -15.878 -3.462 -4.046 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -15.987 -7.622 -3.186 1.00 0.00 H new ATOM 0 HH TYR A 42 -17.816 -6.356 -3.225 1.00 0.00 H new ATOM 74 N SER A 43 -9.586 -4.803 -6.651 1.00 0.00 N ATOM 75 CA SER A 43 -8.129 -4.612 -6.915 1.00 0.00 C ATOM 76 C SER A 43 -7.833 -3.144 -7.193 1.00 0.00 C ATOM 77 O SER A 43 -7.764 -2.732 -8.335 1.00 0.00 O ATOM 78 CB SER A 43 -7.748 -5.435 -8.155 1.00 0.00 C ATOM 79 OG SER A 43 -6.328 -5.393 -8.176 1.00 0.00 O ATOM 0 H SER A 43 -10.206 -4.245 -7.238 1.00 0.00 H new ATOM 0 HA SER A 43 -7.557 -4.934 -6.044 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.115 -6.459 -8.082 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.173 -5.007 -9.063 1.00 0.00 H new ATOM 0 HG SER A 43 -5.997 -5.902 -8.945 1.00 0.00 H new ATOM 85 N CYS A 44 -7.670 -2.370 -6.138 1.00 0.00 N ATOM 86 CA CYS A 44 -7.379 -0.925 -6.325 1.00 0.00 C ATOM 87 C CYS A 44 -6.387 -0.696 -7.466 1.00 0.00 C ATOM 88 O CYS A 44 -5.587 -1.553 -7.787 1.00 0.00 O ATOM 89 CB CYS A 44 -6.761 -0.386 -5.016 1.00 0.00 C ATOM 90 SG CYS A 44 -5.458 0.859 -5.167 1.00 0.00 S ATOM 0 H CYS A 44 -7.727 -2.683 -5.169 1.00 0.00 H new ATOM 0 HA CYS A 44 -8.307 -0.409 -6.572 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.564 0.037 -4.413 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.357 -1.232 -4.460 1.00 0.00 H new ATOM 95 N ASP A 45 -6.466 0.465 -8.052 1.00 0.00 N ATOM 96 CA ASP A 45 -5.553 0.795 -9.170 1.00 0.00 C ATOM 97 C ASP A 45 -5.508 2.303 -9.369 1.00 0.00 C ATOM 98 O ASP A 45 -5.433 2.789 -10.481 1.00 0.00 O ATOM 99 CB ASP A 45 -6.093 0.140 -10.452 1.00 0.00 C ATOM 100 CG ASP A 45 -5.844 -1.368 -10.392 1.00 0.00 C ATOM 101 OD1 ASP A 45 -4.691 -1.719 -10.201 1.00 0.00 O ATOM 102 OD2 ASP A 45 -6.819 -2.085 -10.537 1.00 0.00 O ATOM 0 H ASP A 45 -7.128 1.200 -7.801 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.551 0.430 -8.946 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.159 0.340 -10.555 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.602 0.567 -11.327 1.00 0.00 H new ATOM 107 N HIS A 46 -5.556 3.020 -8.272 1.00 0.00 N ATOM 108 CA HIS A 46 -5.521 4.500 -8.345 1.00 0.00 C ATOM 109 C HIS A 46 -4.043 4.984 -8.448 1.00 0.00 C ATOM 110 O HIS A 46 -3.158 4.362 -7.894 1.00 0.00 O ATOM 111 CB HIS A 46 -6.192 5.018 -7.034 1.00 0.00 C ATOM 112 CG HIS A 46 -5.663 6.398 -6.631 1.00 0.00 C ATOM 113 ND1 HIS A 46 -4.531 6.726 -5.923 1.00 0.00 N flip ATOM 114 CD2 HIS A 46 -6.234 7.482 -6.870 1.00 0.00 C flip ATOM 115 CE1 HIS A 46 -4.478 8.077 -5.764 1.00 0.00 C flip ATOM 116 NE2 HIS A 46 -5.590 8.460 -6.391 1.00 0.00 N flip ATOM 0 H HIS A 46 -5.618 2.635 -7.329 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.048 4.879 -9.221 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.272 5.069 -7.174 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.009 4.309 -6.227 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -7.161 7.573 -7.417 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.733 8.678 -5.263 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.888 9.432 -6.475 1.00 0.00 H new ATOM 124 N PRO A 47 -3.801 6.095 -9.161 1.00 0.00 N ATOM 125 CA PRO A 47 -2.439 6.614 -9.307 1.00 0.00 C ATOM 126 C PRO A 47 -1.744 6.784 -7.950 1.00 0.00 C ATOM 127 O PRO A 47 -2.269 7.413 -7.053 1.00 0.00 O ATOM 128 CB PRO A 47 -2.609 8.000 -10.015 1.00 0.00 C ATOM 129 CG PRO A 47 -4.141 8.192 -10.288 1.00 0.00 C ATOM 130 CD PRO A 47 -4.849 6.890 -9.834 1.00 0.00 C ATOM 0 HA PRO A 47 -1.813 5.927 -9.876 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.226 8.804 -9.386 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.045 8.028 -10.947 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.526 9.052 -9.739 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.323 8.381 -11.346 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.675 7.106 -9.157 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.267 6.351 -10.685 1.00 0.00 H new ATOM 138 N GLY A 48 -0.567 6.219 -7.837 1.00 0.00 N ATOM 139 CA GLY A 48 0.192 6.330 -6.553 1.00 0.00 C ATOM 140 C GLY A 48 -0.152 5.177 -5.608 1.00 0.00 C ATOM 141 O GLY A 48 0.041 5.280 -4.413 1.00 0.00 O ATOM 0 H GLY A 48 -0.101 5.689 -8.574 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.262 6.329 -6.759 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.039 7.280 -6.071 1.00 0.00 H new ATOM 145 N CYS A 49 -0.655 4.102 -6.153 1.00 0.00 N ATOM 146 CA CYS A 49 -1.007 2.954 -5.283 1.00 0.00 C ATOM 147 C CYS A 49 -1.321 1.704 -6.106 1.00 0.00 C ATOM 148 O CYS A 49 -1.906 1.784 -7.168 1.00 0.00 O ATOM 149 CB CYS A 49 -2.247 3.337 -4.466 1.00 0.00 C ATOM 150 SG CYS A 49 -2.739 2.229 -3.122 1.00 0.00 S ATOM 0 H CYS A 49 -0.834 3.974 -7.149 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.159 2.728 -4.636 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.077 4.326 -4.041 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.088 3.426 -5.153 1.00 0.00 H new ATOM 155 N ASP A 50 -0.922 0.564 -5.588 1.00 0.00 N ATOM 156 CA ASP A 50 -1.178 -0.723 -6.309 1.00 0.00 C ATOM 157 C ASP A 50 -1.493 -1.833 -5.314 1.00 0.00 C ATOM 158 O ASP A 50 -1.080 -2.964 -5.484 1.00 0.00 O ATOM 159 CB ASP A 50 0.094 -1.104 -7.086 1.00 0.00 C ATOM 160 CG ASP A 50 1.297 -1.064 -6.141 1.00 0.00 C ATOM 161 OD1 ASP A 50 1.411 -0.067 -5.449 1.00 0.00 O ATOM 162 OD2 ASP A 50 2.038 -2.034 -6.166 1.00 0.00 O ATOM 0 H ASP A 50 -0.431 0.471 -4.699 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.025 -0.598 -6.983 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.013 -2.100 -7.515 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.247 -0.415 -7.916 1.00 0.00 H new ATOM 167 N LYS A 51 -2.221 -1.483 -4.288 1.00 0.00 N ATOM 168 CA LYS A 51 -2.585 -2.492 -3.256 1.00 0.00 C ATOM 169 C LYS A 51 -3.761 -3.360 -3.738 1.00 0.00 C ATOM 170 O LYS A 51 -4.891 -2.919 -3.765 1.00 0.00 O ATOM 171 CB LYS A 51 -2.992 -1.711 -1.959 1.00 0.00 C ATOM 172 CG LYS A 51 -1.962 -1.957 -0.836 1.00 0.00 C ATOM 173 CD LYS A 51 -2.221 -3.329 -0.209 1.00 0.00 C ATOM 174 CE LYS A 51 -1.107 -3.646 0.791 1.00 0.00 C ATOM 175 NZ LYS A 51 0.189 -3.840 0.082 1.00 0.00 N ATOM 0 H LYS A 51 -2.578 -0.542 -4.121 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.742 -3.155 -3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.057 -0.644 -2.174 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.981 -2.030 -1.630 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.950 -1.913 -1.238 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.039 -1.177 -0.078 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.189 -3.336 0.293 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.259 -4.095 -0.984 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.016 -2.834 1.513 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.359 -4.545 1.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.842 -4.372 0.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.027 -4.371 -0.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.603 -2.913 -0.144 1.00 0.00 H new ATOM 189 N ALA A 52 -3.465 -4.581 -4.101 1.00 0.00 N ATOM 190 CA ALA A 52 -4.544 -5.485 -4.578 1.00 0.00 C ATOM 191 C ALA A 52 -5.384 -5.982 -3.413 1.00 0.00 C ATOM 192 O ALA A 52 -4.989 -5.880 -2.268 1.00 0.00 O ATOM 193 CB ALA A 52 -3.891 -6.692 -5.275 1.00 0.00 C ATOM 0 H ALA A 52 -2.529 -4.986 -4.087 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.191 -4.940 -5.265 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.667 -7.369 -5.633 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.294 -6.346 -6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.249 -7.217 -4.568 1.00 0.00 H new ATOM 199 N PHE A 53 -6.537 -6.514 -3.726 1.00 0.00 N ATOM 200 CA PHE A 53 -7.430 -7.028 -2.647 1.00 0.00 C ATOM 201 C PHE A 53 -8.290 -8.188 -3.145 1.00 0.00 C ATOM 202 O PHE A 53 -8.088 -8.704 -4.227 1.00 0.00 O ATOM 203 CB PHE A 53 -8.356 -5.876 -2.203 1.00 0.00 C ATOM 204 CG PHE A 53 -7.577 -4.929 -1.287 1.00 0.00 C ATOM 205 CD1 PHE A 53 -7.228 -5.316 -0.005 1.00 0.00 C ATOM 206 CD2 PHE A 53 -7.217 -3.669 -1.729 1.00 0.00 C ATOM 207 CE1 PHE A 53 -6.532 -4.455 0.817 1.00 0.00 C ATOM 208 CE2 PHE A 53 -6.524 -2.813 -0.907 1.00 0.00 C ATOM 209 CZ PHE A 53 -6.181 -3.205 0.366 1.00 0.00 C ATOM 0 H PHE A 53 -6.896 -6.614 -4.675 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.817 -7.388 -1.820 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -8.727 -5.336 -3.074 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.226 -6.274 -1.680 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.502 -6.297 0.353 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.482 -3.355 -2.728 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.262 -4.763 1.816 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.248 -1.831 -1.261 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.636 -2.531 1.011 1.00 0.00 H new ATOM 219 N VAL A 54 -9.239 -8.570 -2.332 1.00 0.00 N ATOM 220 CA VAL A 54 -10.148 -9.690 -2.701 1.00 0.00 C ATOM 221 C VAL A 54 -11.527 -9.437 -2.116 1.00 0.00 C ATOM 222 O VAL A 54 -12.536 -9.701 -2.734 1.00 0.00 O ATOM 223 CB VAL A 54 -9.568 -10.989 -2.098 1.00 0.00 C ATOM 224 CG1 VAL A 54 -9.746 -10.994 -0.569 1.00 0.00 C ATOM 225 CG2 VAL A 54 -10.298 -12.195 -2.696 1.00 0.00 C ATOM 0 H VAL A 54 -9.423 -8.149 -1.421 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.231 -9.773 -3.785 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.505 -11.044 -2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.333 -11.915 -0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.225 -10.139 -0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.807 -10.932 -0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.891 -13.113 -2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -11.361 -12.128 -2.464 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.162 -12.203 -3.777 1.00 0.00 H new ATOM 235 N ARG A 55 -11.525 -8.940 -0.908 1.00 0.00 N ATOM 236 CA ARG A 55 -12.810 -8.639 -0.213 1.00 0.00 C ATOM 237 C ARG A 55 -13.268 -7.211 -0.535 1.00 0.00 C ATOM 238 O ARG A 55 -12.506 -6.413 -1.045 1.00 0.00 O ATOM 239 CB ARG A 55 -12.565 -8.772 1.317 1.00 0.00 C ATOM 240 CG ARG A 55 -13.883 -9.155 2.027 1.00 0.00 C ATOM 241 CD ARG A 55 -14.126 -10.680 1.913 1.00 0.00 C ATOM 242 NE ARG A 55 -13.569 -11.353 3.123 1.00 0.00 N ATOM 243 CZ ARG A 55 -12.285 -11.310 3.349 1.00 0.00 C ATOM 244 NH1 ARG A 55 -11.517 -12.217 2.808 1.00 0.00 N ATOM 245 NH2 ARG A 55 -11.809 -10.360 4.108 1.00 0.00 N ATOM 0 H ARG A 55 -10.684 -8.729 -0.370 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.584 -9.331 -0.544 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.805 -9.529 1.508 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.186 -7.832 1.717 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.838 -8.864 3.076 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.716 -8.612 1.581 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -15.193 -10.886 1.825 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.651 -11.071 1.013 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.188 -11.843 3.769 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.923 -12.944 2.219 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.511 -12.198 2.974 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.439 -9.667 4.513 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.808 -10.311 4.296 1.00 0.00 H new ATOM 259 N ASN A 56 -14.506 -6.915 -0.228 1.00 0.00 N ATOM 260 CA ASN A 56 -15.031 -5.550 -0.509 1.00 0.00 C ATOM 261 C ASN A 56 -14.651 -4.563 0.594 1.00 0.00 C ATOM 262 O ASN A 56 -14.012 -3.561 0.338 1.00 0.00 O ATOM 263 CB ASN A 56 -16.564 -5.634 -0.582 1.00 0.00 C ATOM 264 CG ASN A 56 -17.121 -4.297 -1.070 1.00 0.00 C ATOM 265 OD1 ASN A 56 -16.400 -3.452 -1.562 1.00 0.00 O ATOM 266 ND2 ASN A 56 -18.399 -4.063 -0.951 1.00 0.00 N ATOM 0 H ASN A 56 -15.171 -7.558 0.203 1.00 0.00 H new ATOM 0 HA ASN A 56 -14.601 -5.197 -1.446 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -16.864 -6.434 -1.258 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -16.974 -5.875 0.399 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -18.787 -3.175 -1.270 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -19.010 -4.768 -0.539 1.00 0.00 H new ATOM 273 N HIS A 57 -15.054 -4.862 1.801 1.00 0.00 N ATOM 274 CA HIS A 57 -14.729 -3.952 2.935 1.00 0.00 C ATOM 275 C HIS A 57 -13.274 -3.465 2.852 1.00 0.00 C ATOM 276 O HIS A 57 -12.995 -2.310 3.095 1.00 0.00 O ATOM 277 CB HIS A 57 -15.002 -4.737 4.279 1.00 0.00 C ATOM 278 CG HIS A 57 -13.718 -4.915 5.121 1.00 0.00 C ATOM 279 ND1 HIS A 57 -12.909 -5.858 5.001 1.00 0.00 N ATOM 280 CD2 HIS A 57 -13.215 -4.127 6.139 1.00 0.00 C ATOM 281 CE1 HIS A 57 -11.951 -5.758 5.827 1.00 0.00 C ATOM 282 NE2 HIS A 57 -12.059 -4.679 6.601 1.00 0.00 N ATOM 0 H HIS A 57 -15.591 -5.693 2.048 1.00 0.00 H new ATOM 0 HA HIS A 57 -15.356 -3.061 2.895 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -15.748 -4.201 4.866 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -15.421 -5.716 4.047 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -13.006 -6.614 4.324 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -13.667 -3.218 6.509 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.140 -6.468 5.895 1.00 0.00 H new ATOM 290 N ASP A 58 -12.380 -4.348 2.518 1.00 0.00 N ATOM 291 CA ASP A 58 -10.965 -3.928 2.424 1.00 0.00 C ATOM 292 C ASP A 58 -10.833 -2.738 1.487 1.00 0.00 C ATOM 293 O ASP A 58 -10.278 -1.719 1.847 1.00 0.00 O ATOM 294 CB ASP A 58 -10.140 -5.093 1.859 1.00 0.00 C ATOM 295 CG ASP A 58 -10.168 -6.262 2.845 1.00 0.00 C ATOM 296 OD1 ASP A 58 -11.239 -6.493 3.379 1.00 0.00 O ATOM 297 OD2 ASP A 58 -9.117 -6.856 3.009 1.00 0.00 O ATOM 0 H ASP A 58 -12.567 -5.329 2.309 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.607 -3.648 3.415 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.544 -5.406 0.896 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.112 -4.774 1.685 1.00 0.00 H new ATOM 302 N LEU A 59 -11.356 -2.886 0.298 1.00 0.00 N ATOM 303 CA LEU A 59 -11.276 -1.776 -0.686 1.00 0.00 C ATOM 304 C LEU A 59 -11.975 -0.530 -0.148 1.00 0.00 C ATOM 305 O LEU A 59 -11.625 0.576 -0.494 1.00 0.00 O ATOM 306 CB LEU A 59 -11.985 -2.242 -1.991 1.00 0.00 C ATOM 307 CG LEU A 59 -11.250 -1.686 -3.241 1.00 0.00 C ATOM 308 CD1 LEU A 59 -11.158 -0.153 -3.140 1.00 0.00 C ATOM 309 CD2 LEU A 59 -9.823 -2.313 -3.354 1.00 0.00 C ATOM 0 H LEU A 59 -11.833 -3.726 -0.030 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.232 -1.527 -0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.007 -3.331 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.021 -1.902 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 59 -11.811 -1.952 -4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.642 0.239 -4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.162 0.269 -3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.605 0.120 -2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.319 -1.914 -4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.246 -2.067 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.907 -3.396 -3.443 1.00 0.00 H new ATOM 321 N ILE A 60 -12.964 -0.736 0.676 1.00 0.00 N ATOM 322 CA ILE A 60 -13.688 0.430 1.237 1.00 0.00 C ATOM 323 C ILE A 60 -12.841 1.133 2.282 1.00 0.00 C ATOM 324 O ILE A 60 -12.721 2.342 2.277 1.00 0.00 O ATOM 325 CB ILE A 60 -14.984 -0.060 1.893 1.00 0.00 C ATOM 326 CG1 ILE A 60 -15.898 -0.684 0.828 1.00 0.00 C ATOM 327 CG2 ILE A 60 -15.707 1.153 2.519 1.00 0.00 C ATOM 328 CD1 ILE A 60 -17.056 -1.497 1.506 1.00 0.00 C ATOM 0 H ILE A 60 -13.297 -1.651 0.980 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.907 1.131 0.432 1.00 0.00 H new ATOM 0 HB ILE A 60 -14.752 -0.804 2.655 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -16.317 0.099 0.196 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -15.316 -1.340 0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -16.632 0.822 2.990 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.063 1.614 3.268 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -15.937 1.881 1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -17.694 -1.932 0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -16.632 -2.293 2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -17.648 -0.832 2.135 1.00 0.00 H new ATOM 340 N ARG A 61 -12.267 0.365 3.159 1.00 0.00 N ATOM 341 CA ARG A 61 -11.422 0.971 4.212 1.00 0.00 C ATOM 342 C ARG A 61 -10.054 1.325 3.649 1.00 0.00 C ATOM 343 O ARG A 61 -9.255 1.964 4.305 1.00 0.00 O ATOM 344 CB ARG A 61 -11.242 -0.060 5.340 1.00 0.00 C ATOM 345 CG ARG A 61 -12.589 -0.275 6.066 1.00 0.00 C ATOM 346 CD ARG A 61 -12.332 -0.840 7.471 1.00 0.00 C ATOM 347 NE ARG A 61 -11.551 -2.108 7.354 1.00 0.00 N ATOM 348 CZ ARG A 61 -10.254 -2.054 7.194 1.00 0.00 C ATOM 349 NH1 ARG A 61 -9.564 -1.214 7.916 1.00 0.00 N ATOM 350 NH2 ARG A 61 -9.693 -2.839 6.316 1.00 0.00 N ATOM 0 H ARG A 61 -12.347 -0.651 3.191 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.899 1.877 4.585 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -10.884 -1.004 4.930 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.488 0.287 6.046 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.131 0.668 6.136 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.216 -0.961 5.496 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.784 -0.115 8.073 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.278 -1.027 7.980 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.026 -3.010 7.399 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.037 -0.614 8.591 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.552 -1.158 7.805 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.265 -3.481 5.767 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.683 -2.810 6.178 1.00 0.00 H new ATOM 364 N HIS A 62 -9.809 0.898 2.429 1.00 0.00 N ATOM 365 CA HIS A 62 -8.494 1.195 1.784 1.00 0.00 C ATOM 366 C HIS A 62 -8.621 2.347 0.770 1.00 0.00 C ATOM 367 O HIS A 62 -7.761 3.201 0.689 1.00 0.00 O ATOM 368 CB HIS A 62 -8.015 -0.079 1.050 1.00 0.00 C ATOM 369 CG HIS A 62 -6.880 0.286 0.102 1.00 0.00 C ATOM 370 ND1 HIS A 62 -5.669 0.198 0.379 1.00 0.00 N ATOM 371 CD2 HIS A 62 -6.941 0.873 -1.145 1.00 0.00 C ATOM 372 CE1 HIS A 62 -4.948 0.672 -0.542 1.00 0.00 C ATOM 373 NE2 HIS A 62 -5.671 1.139 -1.564 1.00 0.00 N ATOM 0 H HIS A 62 -10.461 0.360 1.858 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.780 1.495 2.551 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -7.677 -0.823 1.771 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -8.840 -0.525 0.494 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.305 -0.206 1.242 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -7.844 1.086 -1.697 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -3.869 0.697 -0.508 1.00 0.00 H new ATOM 381 N LYS A 63 -9.687 2.343 0.021 1.00 0.00 N ATOM 382 CA LYS A 63 -9.879 3.423 -0.983 1.00 0.00 C ATOM 383 C LYS A 63 -9.918 4.799 -0.302 1.00 0.00 C ATOM 384 O LYS A 63 -10.081 5.809 -0.950 1.00 0.00 O ATOM 385 CB LYS A 63 -11.218 3.150 -1.712 1.00 0.00 C ATOM 386 CG LYS A 63 -11.682 4.403 -2.480 1.00 0.00 C ATOM 387 CD LYS A 63 -12.707 3.994 -3.549 1.00 0.00 C ATOM 388 CE LYS A 63 -13.410 5.248 -4.077 1.00 0.00 C ATOM 389 NZ LYS A 63 -14.512 4.876 -5.010 1.00 0.00 N ATOM 0 H LYS A 63 -10.429 1.644 0.060 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.049 3.430 -1.690 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.098 2.316 -2.404 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.979 2.857 -0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.125 5.122 -1.791 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.828 4.894 -2.947 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.210 3.470 -4.365 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.437 3.304 -3.125 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.811 5.825 -3.244 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.691 5.886 -4.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.978 5.738 -5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.122 4.344 -5.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.206 4.286 -4.509 1.00 0.00 H new ATOM 403 N LYS A 64 -9.767 4.812 0.994 1.00 0.00 N ATOM 404 CA LYS A 64 -9.794 6.114 1.703 1.00 0.00 C ATOM 405 C LYS A 64 -8.719 7.043 1.146 1.00 0.00 C ATOM 406 O LYS A 64 -8.763 8.241 1.346 1.00 0.00 O ATOM 407 CB LYS A 64 -9.516 5.865 3.195 1.00 0.00 C ATOM 408 CG LYS A 64 -10.685 5.069 3.798 1.00 0.00 C ATOM 409 CD LYS A 64 -10.410 4.783 5.299 1.00 0.00 C ATOM 410 CE LYS A 64 -10.913 5.958 6.155 1.00 0.00 C ATOM 411 NZ LYS A 64 -10.284 5.925 7.505 1.00 0.00 N ATOM 0 H LYS A 64 -9.628 3.990 1.581 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.770 6.580 1.566 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.583 5.314 3.317 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.397 6.813 3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.613 5.630 3.690 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.815 4.131 3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.909 3.862 5.600 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.342 4.635 5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.680 6.901 5.661 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.998 5.908 6.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.634 6.725 8.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.528 5.032 7.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.251 5.995 7.408 1.00 0.00 H new ATOM 425 N SER A 65 -7.765 6.465 0.451 1.00 0.00 N ATOM 426 CA SER A 65 -6.667 7.292 -0.136 1.00 0.00 C ATOM 427 C SER A 65 -7.041 7.769 -1.536 1.00 0.00 C ATOM 428 O SER A 65 -6.372 8.607 -2.108 1.00 0.00 O ATOM 429 CB SER A 65 -5.405 6.420 -0.235 1.00 0.00 C ATOM 430 OG SER A 65 -5.823 5.285 -0.980 1.00 0.00 O ATOM 0 H SER A 65 -7.702 5.464 0.268 1.00 0.00 H new ATOM 0 HA SER A 65 -6.496 8.162 0.498 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.594 6.949 -0.736 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.039 6.136 0.752 1.00 0.00 H new ATOM 0 HG SER A 65 -5.199 4.545 -0.827 1.00 0.00 H new ATOM 436 N HIS A 66 -8.113 7.217 -2.062 1.00 0.00 N ATOM 437 CA HIS A 66 -8.574 7.609 -3.432 1.00 0.00 C ATOM 438 C HIS A 66 -10.070 7.954 -3.410 1.00 0.00 C ATOM 439 O HIS A 66 -10.838 7.441 -4.201 1.00 0.00 O ATOM 440 CB HIS A 66 -8.356 6.406 -4.399 1.00 0.00 C ATOM 441 CG HIS A 66 -7.152 5.564 -3.962 1.00 0.00 C ATOM 442 ND1 HIS A 66 -5.997 6.000 -3.784 1.00 0.00 N ATOM 443 CD2 HIS A 66 -7.059 4.193 -3.792 1.00 0.00 C ATOM 444 CE1 HIS A 66 -5.179 5.059 -3.534 1.00 0.00 C ATOM 445 NE2 HIS A 66 -5.768 3.864 -3.522 1.00 0.00 N ATOM 0 H HIS A 66 -8.687 6.512 -1.600 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.007 8.479 -3.764 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.251 5.784 -4.420 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.199 6.773 -5.413 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.741 6.986 -3.833 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.881 3.496 -3.863 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -4.125 5.211 -3.352 1.00 0.00 H new ATOM 453 N GLN A 67 -10.456 8.817 -2.515 1.00 0.00 N ATOM 454 CA GLN A 67 -11.877 9.185 -2.447 1.00 0.00 C ATOM 455 C GLN A 67 -12.297 9.932 -3.713 1.00 0.00 C ATOM 456 O GLN A 67 -12.322 9.356 -4.776 1.00 0.00 O ATOM 457 CB GLN A 67 -12.079 10.078 -1.204 1.00 0.00 C ATOM 458 CG GLN A 67 -13.582 10.262 -0.942 1.00 0.00 C ATOM 459 CD GLN A 67 -14.148 8.984 -0.319 1.00 0.00 C ATOM 460 OE1 GLN A 67 -13.528 8.362 0.520 1.00 0.00 O ATOM 461 NE2 GLN A 67 -15.321 8.560 -0.701 1.00 0.00 N ATOM 0 H GLN A 67 -9.848 9.275 -1.837 1.00 0.00 H new ATOM 0 HA GLN A 67 -12.493 8.289 -2.371 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.601 9.624 -0.336 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -11.605 11.047 -1.359 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -13.745 11.108 -0.275 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -14.100 10.486 -1.874 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -15.846 9.078 -1.405 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -15.713 7.710 -0.295 1.00 0.00 H new ATOM 470 N GLU A 68 -12.602 11.202 -3.562 1.00 0.00 N ATOM 471 CA GLU A 68 -13.034 12.054 -4.734 1.00 0.00 C ATOM 472 C GLU A 68 -13.894 13.221 -4.228 1.00 0.00 C ATOM 473 O GLU A 68 -14.023 13.428 -3.037 1.00 0.00 O ATOM 474 CB GLU A 68 -13.895 11.195 -5.746 1.00 0.00 C ATOM 475 CG GLU A 68 -12.998 10.693 -6.928 1.00 0.00 C ATOM 476 CD GLU A 68 -13.449 9.292 -7.369 1.00 0.00 C ATOM 477 OE1 GLU A 68 -14.638 9.157 -7.608 1.00 0.00 O ATOM 478 OE2 GLU A 68 -12.579 8.440 -7.442 1.00 0.00 O ATOM 0 H GLU A 68 -12.571 11.695 -2.669 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.145 12.430 -5.239 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.337 10.344 -5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.719 11.794 -6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.065 11.386 -7.766 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.953 10.667 -6.618 1.00 0.00 H new ATOM 485 N LYS A 69 -14.467 13.959 -5.156 1.00 0.00 N ATOM 486 CA LYS A 69 -15.330 15.123 -4.775 1.00 0.00 C ATOM 487 C LYS A 69 -16.770 14.873 -5.204 1.00 0.00 C ATOM 488 O LYS A 69 -17.291 15.552 -6.066 1.00 0.00 O ATOM 489 CB LYS A 69 -14.810 16.370 -5.508 1.00 0.00 C ATOM 490 CG LYS A 69 -15.494 17.615 -4.933 1.00 0.00 C ATOM 491 CD LYS A 69 -15.179 18.821 -5.824 1.00 0.00 C ATOM 492 CE LYS A 69 -16.029 20.015 -5.377 1.00 0.00 C ATOM 493 NZ LYS A 69 -15.934 21.125 -6.367 1.00 0.00 N ATOM 0 H LYS A 69 -14.372 13.803 -6.160 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.297 15.261 -3.694 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -13.729 16.449 -5.394 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -15.013 16.290 -6.576 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -16.572 17.460 -4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -15.146 17.798 -3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -14.120 19.069 -5.759 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.387 18.582 -6.867 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -17.069 19.707 -5.266 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -15.693 20.362 -4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.516 21.926 -6.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.943 21.430 -6.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -16.276 20.795 -7.292 1.00 0.00 H new ATOM 507 N ALA A 70 -17.390 13.895 -4.596 1.00 0.00 N ATOM 508 CA ALA A 70 -18.800 13.583 -4.956 1.00 0.00 C ATOM 509 C ALA A 70 -19.629 14.857 -5.081 1.00 0.00 C ATOM 510 O ALA A 70 -20.626 14.787 -5.782 1.00 0.00 O ATOM 511 CB ALA A 70 -19.401 12.712 -3.841 1.00 0.00 C ATOM 512 OXT ALA A 70 -19.220 15.831 -4.471 1.00 0.00 O ATOM 0 H ALA A 70 -16.982 13.304 -3.871 1.00 0.00 H new ATOM 0 HA ALA A 70 -18.814 13.065 -5.915 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -20.436 12.471 -4.085 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -18.826 11.791 -3.749 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -19.368 13.256 -2.897 1.00 0.00 H new TER 518 ALA A 70 HETATM 519 ZN ZN A 71 -5.025 2.022 -3.237 1.00 0.00 ZN