USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=5 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 165:sc= 0 USER MOD Set 1.2: A 56 ASN : amide:sc= -1.3 K(o=-1.3,f=-6!) USER MOD Single : A 43 SER OG : rot 76:sc= 0.933 USER MOD Single : A 46 HIS : no HD1:sc= -10.4! C(o=-10!,f=-8.7!) USER MOD Single : A 51 LYS NZ :NH3+ -161:sc= -0.0208 (180deg=-0.394) USER MOD Single : A 57 HIS : no HD1:sc= -0.412 K(o=-0.41,f=-1.9!) USER MOD Single : A 63 LYS NZ :NH3+ 141:sc= -1.84 (180deg=-3.35!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.38! K(o=-1.4!,f=-0.013) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 39 -10.407 -15.402 -7.047 1.00 0.00 N ATOM 2 CA ASP A 39 -10.556 -14.506 -8.218 1.00 0.00 C ATOM 3 C ASP A 39 -10.697 -13.063 -7.756 1.00 0.00 C ATOM 4 O ASP A 39 -11.756 -12.481 -7.879 1.00 0.00 O ATOM 5 CB ASP A 39 -11.812 -14.888 -9.015 1.00 0.00 C ATOM 6 CG ASP A 39 -11.657 -16.310 -9.556 1.00 0.00 C ATOM 7 OD1 ASP A 39 -10.905 -17.046 -8.938 1.00 0.00 O ATOM 8 OD2 ASP A 39 -12.299 -16.581 -10.557 1.00 0.00 O ATOM 0 HA ASP A 39 -9.671 -14.610 -8.846 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -12.694 -14.824 -8.378 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -11.961 -14.188 -9.837 1.00 0.00 H new ATOM 15 N ARG A 40 -9.607 -12.520 -7.231 1.00 0.00 N ATOM 16 CA ARG A 40 -9.603 -11.096 -6.730 1.00 0.00 C ATOM 17 C ARG A 40 -10.709 -10.233 -7.388 1.00 0.00 C ATOM 18 O ARG A 40 -10.479 -9.622 -8.413 1.00 0.00 O ATOM 19 CB ARG A 40 -8.243 -10.478 -7.106 1.00 0.00 C ATOM 20 CG ARG A 40 -7.144 -11.107 -6.245 1.00 0.00 C ATOM 21 CD ARG A 40 -5.847 -10.316 -6.428 1.00 0.00 C ATOM 22 NE ARG A 40 -5.359 -10.502 -7.824 1.00 0.00 N ATOM 23 CZ ARG A 40 -4.775 -11.620 -8.155 1.00 0.00 C ATOM 24 NH1 ARG A 40 -3.829 -12.089 -7.387 1.00 0.00 N ATOM 25 NH2 ARG A 40 -5.156 -12.232 -9.241 1.00 0.00 N ATOM 0 H ARG A 40 -8.717 -13.008 -7.129 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.782 -11.112 -5.655 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.034 -10.647 -8.162 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.267 -9.399 -6.954 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.441 -11.104 -5.196 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.993 -12.148 -6.531 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.019 -9.259 -6.227 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.094 -10.657 -5.717 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.481 -9.761 -8.514 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.558 -11.582 -6.544 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.361 -12.962 -7.630 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.899 -11.835 -9.816 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.711 -13.108 -9.516 1.00 0.00 H new ATOM 39 N PRO A 41 -11.903 -10.196 -6.781 1.00 0.00 N ATOM 40 CA PRO A 41 -13.000 -9.407 -7.338 1.00 0.00 C ATOM 41 C PRO A 41 -12.672 -7.914 -7.293 1.00 0.00 C ATOM 42 O PRO A 41 -13.360 -7.106 -7.888 1.00 0.00 O ATOM 43 CB PRO A 41 -14.230 -9.725 -6.428 1.00 0.00 C ATOM 44 CG PRO A 41 -13.747 -10.740 -5.337 1.00 0.00 C ATOM 45 CD PRO A 41 -12.220 -10.918 -5.529 1.00 0.00 C ATOM 0 HA PRO A 41 -13.187 -9.652 -8.383 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.612 -8.815 -5.965 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -15.044 -10.150 -7.015 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.969 -10.366 -4.337 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -14.263 -11.694 -5.443 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -11.666 -10.507 -4.685 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.952 -11.972 -5.603 1.00 0.00 H new ATOM 53 N TYR A 42 -11.617 -7.577 -6.581 1.00 0.00 N ATOM 54 CA TYR A 42 -11.208 -6.200 -6.464 1.00 0.00 C ATOM 55 C TYR A 42 -9.735 -6.105 -6.704 1.00 0.00 C ATOM 56 O TYR A 42 -9.067 -7.066 -7.025 1.00 0.00 O ATOM 57 CB TYR A 42 -11.507 -5.724 -5.020 1.00 0.00 C ATOM 58 CG TYR A 42 -12.985 -5.342 -4.902 1.00 0.00 C ATOM 59 CD1 TYR A 42 -13.495 -4.287 -5.633 1.00 0.00 C ATOM 60 CD2 TYR A 42 -13.820 -6.024 -4.044 1.00 0.00 C ATOM 61 CE1 TYR A 42 -14.818 -3.922 -5.504 1.00 0.00 C ATOM 62 CE2 TYR A 42 -15.142 -5.660 -3.917 1.00 0.00 C ATOM 63 CZ TYR A 42 -15.653 -4.606 -4.644 1.00 0.00 C ATOM 64 OH TYR A 42 -16.975 -4.239 -4.511 1.00 0.00 O ATOM 0 H TYR A 42 -11.029 -8.240 -6.076 1.00 0.00 H new ATOM 0 HA TYR A 42 -11.742 -5.586 -7.189 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -11.267 -6.514 -4.309 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -10.879 -4.869 -4.770 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -12.853 -3.744 -6.311 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -13.434 -6.851 -3.466 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -15.204 -3.094 -6.080 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -15.784 -6.205 -3.242 1.00 0.00 H new ATOM 0 HH TYR A 42 -17.469 -4.955 -4.059 1.00 0.00 H new ATOM 74 N SER A 43 -9.294 -4.955 -6.528 1.00 0.00 N ATOM 75 CA SER A 43 -7.847 -4.614 -6.711 1.00 0.00 C ATOM 76 C SER A 43 -7.704 -3.126 -7.011 1.00 0.00 C ATOM 77 O SER A 43 -7.849 -2.709 -8.143 1.00 0.00 O ATOM 78 CB SER A 43 -7.264 -5.422 -7.908 1.00 0.00 C ATOM 79 OG SER A 43 -6.777 -6.616 -7.313 1.00 0.00 O ATOM 0 H SER A 43 -9.875 -4.165 -6.249 1.00 0.00 H new ATOM 0 HA SER A 43 -7.307 -4.863 -5.797 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.027 -5.632 -8.657 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.468 -4.873 -8.410 1.00 0.00 H new ATOM 0 HG SER A 43 -7.530 -7.206 -7.100 1.00 0.00 H new ATOM 85 N CYS A 44 -7.425 -2.344 -5.995 1.00 0.00 N ATOM 86 CA CYS A 44 -7.274 -0.885 -6.218 1.00 0.00 C ATOM 87 C CYS A 44 -6.468 -0.596 -7.482 1.00 0.00 C ATOM 88 O CYS A 44 -5.758 -1.446 -7.982 1.00 0.00 O ATOM 89 CB CYS A 44 -6.527 -0.293 -5.015 1.00 0.00 C ATOM 90 SG CYS A 44 -5.477 1.140 -5.329 1.00 0.00 S ATOM 0 H CYS A 44 -7.298 -2.656 -5.032 1.00 0.00 H new ATOM 0 HA CYS A 44 -8.263 -0.442 -6.333 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.264 -0.015 -4.262 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.908 -1.078 -4.580 1.00 0.00 H new ATOM 95 N ASP A 45 -6.599 0.606 -7.972 1.00 0.00 N ATOM 96 CA ASP A 45 -5.856 0.985 -9.202 1.00 0.00 C ATOM 97 C ASP A 45 -5.710 2.498 -9.295 1.00 0.00 C ATOM 98 O ASP A 45 -5.669 3.055 -10.374 1.00 0.00 O ATOM 99 CB ASP A 45 -6.652 0.489 -10.419 1.00 0.00 C ATOM 100 CG ASP A 45 -5.844 0.746 -11.690 1.00 0.00 C ATOM 101 OD1 ASP A 45 -4.806 0.116 -11.808 1.00 0.00 O ATOM 102 OD2 ASP A 45 -6.310 1.556 -12.474 1.00 0.00 O ATOM 0 H ASP A 45 -7.187 1.338 -7.574 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.863 0.537 -9.175 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.866 -0.575 -10.319 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.612 1.003 -10.474 1.00 0.00 H new ATOM 107 N HIS A 46 -5.629 3.142 -8.154 1.00 0.00 N ATOM 108 CA HIS A 46 -5.486 4.620 -8.154 1.00 0.00 C ATOM 109 C HIS A 46 -3.988 5.006 -8.369 1.00 0.00 C ATOM 110 O HIS A 46 -3.109 4.330 -7.872 1.00 0.00 O ATOM 111 CB HIS A 46 -5.976 5.112 -6.763 1.00 0.00 C ATOM 112 CG HIS A 46 -5.422 6.502 -6.439 1.00 0.00 C ATOM 113 ND1 HIS A 46 -5.997 7.581 -6.693 1.00 0.00 N ATOM 114 CD2 HIS A 46 -4.246 6.851 -5.811 1.00 0.00 C ATOM 115 CE1 HIS A 46 -5.319 8.574 -6.296 1.00 0.00 C ATOM 116 NE2 HIS A 46 -4.176 8.207 -5.716 1.00 0.00 N ATOM 0 H HIS A 46 -5.656 2.705 -7.233 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.066 5.077 -8.956 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.066 5.140 -6.747 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.664 4.405 -5.994 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.499 6.159 -5.451 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.631 9.601 -6.414 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.443 8.788 -5.309 1.00 0.00 H new ATOM 124 N PRO A 47 -3.720 6.097 -9.114 1.00 0.00 N ATOM 125 CA PRO A 47 -2.336 6.518 -9.358 1.00 0.00 C ATOM 126 C PRO A 47 -1.539 6.626 -8.053 1.00 0.00 C ATOM 127 O PRO A 47 -1.994 7.205 -7.089 1.00 0.00 O ATOM 128 CB PRO A 47 -2.457 7.918 -10.049 1.00 0.00 C ATOM 129 CG PRO A 47 -3.985 8.194 -10.269 1.00 0.00 C ATOM 130 CD PRO A 47 -4.753 6.960 -9.727 1.00 0.00 C ATOM 0 HA PRO A 47 -1.801 5.795 -9.973 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.011 8.694 -9.427 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -1.924 7.926 -11.000 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.292 9.099 -9.746 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.200 8.348 -11.326 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.505 7.255 -8.995 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.276 6.439 -10.529 1.00 0.00 H new ATOM 138 N GLY A 48 -0.358 6.066 -8.055 1.00 0.00 N ATOM 139 CA GLY A 48 0.488 6.122 -6.826 1.00 0.00 C ATOM 140 C GLY A 48 0.083 5.020 -5.844 1.00 0.00 C ATOM 141 O GLY A 48 0.429 5.066 -4.681 1.00 0.00 O ATOM 0 H GLY A 48 0.055 5.576 -8.848 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.538 6.009 -7.095 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.384 7.097 -6.350 1.00 0.00 H new ATOM 145 N CYS A 49 -0.639 4.047 -6.333 1.00 0.00 N ATOM 146 CA CYS A 49 -1.067 2.944 -5.439 1.00 0.00 C ATOM 147 C CYS A 49 -1.688 1.802 -6.230 1.00 0.00 C ATOM 148 O CYS A 49 -2.142 1.984 -7.342 1.00 0.00 O ATOM 149 CB CYS A 49 -2.119 3.489 -4.465 1.00 0.00 C ATOM 150 SG CYS A 49 -2.707 2.370 -3.172 1.00 0.00 S ATOM 0 H CYS A 49 -0.946 3.972 -7.303 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.193 2.565 -4.910 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.706 4.375 -3.983 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.981 3.815 -5.047 1.00 0.00 H new ATOM 155 N ASP A 50 -1.698 0.641 -5.635 1.00 0.00 N ATOM 156 CA ASP A 50 -2.283 -0.534 -6.326 1.00 0.00 C ATOM 157 C ASP A 50 -2.388 -1.712 -5.368 1.00 0.00 C ATOM 158 O ASP A 50 -2.085 -2.835 -5.721 1.00 0.00 O ATOM 159 CB ASP A 50 -1.362 -0.922 -7.495 1.00 0.00 C ATOM 160 CG ASP A 50 -2.070 -1.954 -8.377 1.00 0.00 C ATOM 161 OD1 ASP A 50 -3.092 -2.445 -7.923 1.00 0.00 O ATOM 162 OD2 ASP A 50 -1.551 -2.194 -9.455 1.00 0.00 O ATOM 0 H ASP A 50 -1.327 0.459 -4.703 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.280 -0.281 -6.688 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.108 -0.039 -8.081 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.426 -1.332 -7.115 1.00 0.00 H new ATOM 167 N LYS A 51 -2.820 -1.432 -4.169 1.00 0.00 N ATOM 168 CA LYS A 51 -2.954 -2.514 -3.165 1.00 0.00 C ATOM 169 C LYS A 51 -4.006 -3.538 -3.602 1.00 0.00 C ATOM 170 O LYS A 51 -5.179 -3.232 -3.682 1.00 0.00 O ATOM 171 CB LYS A 51 -3.388 -1.866 -1.813 1.00 0.00 C ATOM 172 CG LYS A 51 -2.153 -1.625 -0.924 1.00 0.00 C ATOM 173 CD LYS A 51 -1.259 -0.556 -1.564 1.00 0.00 C ATOM 174 CE LYS A 51 0.086 -0.534 -0.840 1.00 0.00 C ATOM 175 NZ LYS A 51 -0.113 -0.356 0.626 1.00 0.00 N ATOM 0 H LYS A 51 -3.084 -0.501 -3.846 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.001 -3.033 -3.060 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.901 -0.923 -2.000 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.095 -2.517 -1.299 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.465 -1.305 0.070 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.595 -2.553 -0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.113 -0.771 -2.623 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.737 0.422 -1.501 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.623 -1.463 -1.030 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.702 0.276 -1.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.773 -0.025 1.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.863 0.345 0.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.388 -1.264 1.052 1.00 0.00 H new ATOM 189 N ALA A 52 -3.560 -4.733 -3.874 1.00 0.00 N ATOM 190 CA ALA A 52 -4.511 -5.786 -4.302 1.00 0.00 C ATOM 191 C ALA A 52 -5.545 -6.031 -3.222 1.00 0.00 C ATOM 192 O ALA A 52 -5.378 -5.617 -2.092 1.00 0.00 O ATOM 193 CB ALA A 52 -3.723 -7.084 -4.537 1.00 0.00 C ATOM 0 H ALA A 52 -2.583 -5.021 -3.818 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.018 -5.468 -5.213 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.406 -7.872 -4.853 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.975 -6.920 -5.312 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.228 -7.382 -3.612 1.00 0.00 H new ATOM 199 N PHE A 53 -6.604 -6.699 -3.583 1.00 0.00 N ATOM 200 CA PHE A 53 -7.667 -6.980 -2.578 1.00 0.00 C ATOM 201 C PHE A 53 -8.492 -8.199 -2.967 1.00 0.00 C ATOM 202 O PHE A 53 -8.654 -8.500 -4.133 1.00 0.00 O ATOM 203 CB PHE A 53 -8.589 -5.753 -2.505 1.00 0.00 C ATOM 204 CG PHE A 53 -7.870 -4.643 -1.731 1.00 0.00 C ATOM 205 CD1 PHE A 53 -7.570 -4.804 -0.388 1.00 0.00 C ATOM 206 CD2 PHE A 53 -7.483 -3.476 -2.369 1.00 0.00 C ATOM 207 CE1 PHE A 53 -6.894 -3.817 0.300 1.00 0.00 C ATOM 208 CE2 PHE A 53 -6.807 -2.494 -1.677 1.00 0.00 C ATOM 209 CZ PHE A 53 -6.514 -2.665 -0.344 1.00 0.00 C ATOM 0 H PHE A 53 -6.779 -7.060 -4.521 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.200 -7.184 -1.615 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -8.842 -5.411 -3.508 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.525 -6.013 -2.011 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.867 -5.708 0.124 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.712 -3.335 -3.415 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.663 -3.951 1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.507 -1.588 -2.183 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.985 -1.894 0.196 1.00 0.00 H new ATOM 219 N VAL A 54 -9.000 -8.884 -1.964 1.00 0.00 N ATOM 220 CA VAL A 54 -9.830 -10.102 -2.219 1.00 0.00 C ATOM 221 C VAL A 54 -11.270 -9.866 -1.782 1.00 0.00 C ATOM 222 O VAL A 54 -12.197 -10.324 -2.419 1.00 0.00 O ATOM 223 CB VAL A 54 -9.251 -11.258 -1.385 1.00 0.00 C ATOM 224 CG1 VAL A 54 -9.963 -12.559 -1.762 1.00 0.00 C ATOM 225 CG2 VAL A 54 -7.758 -11.395 -1.686 1.00 0.00 C ATOM 0 H VAL A 54 -8.873 -8.648 -0.980 1.00 0.00 H new ATOM 0 HA VAL A 54 -9.815 -10.334 -3.284 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.396 -11.055 -0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.555 -13.381 -1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -11.030 -12.462 -1.560 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.812 -12.763 -2.822 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.342 -12.213 -1.098 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.618 -11.603 -2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.248 -10.467 -1.428 1.00 0.00 H new ATOM 235 N ARG A 55 -11.433 -9.148 -0.691 1.00 0.00 N ATOM 236 CA ARG A 55 -12.815 -8.862 -0.184 1.00 0.00 C ATOM 237 C ARG A 55 -13.247 -7.446 -0.582 1.00 0.00 C ATOM 238 O ARG A 55 -12.540 -6.754 -1.289 1.00 0.00 O ATOM 239 CB ARG A 55 -12.795 -8.990 1.375 1.00 0.00 C ATOM 240 CG ARG A 55 -14.091 -9.667 1.854 1.00 0.00 C ATOM 241 CD ARG A 55 -14.049 -9.834 3.376 1.00 0.00 C ATOM 242 NE ARG A 55 -15.054 -10.881 3.774 1.00 0.00 N ATOM 243 CZ ARG A 55 -15.887 -10.650 4.762 1.00 0.00 C ATOM 244 NH1 ARG A 55 -16.827 -9.765 4.596 1.00 0.00 N ATOM 245 NH2 ARG A 55 -15.747 -11.316 5.875 1.00 0.00 N ATOM 0 H ARG A 55 -10.675 -8.752 -0.135 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.523 -9.569 -0.617 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.930 -9.573 1.691 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.698 -8.004 1.830 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.955 -9.067 1.567 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.205 -10.639 1.374 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.050 -10.128 3.696 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.275 -8.887 3.866 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.088 -11.770 3.276 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -16.906 -9.265 3.710 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.484 -9.571 5.352 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.999 -12.004 5.967 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.385 -11.149 6.653 1.00 0.00 H new ATOM 259 N ASN A 56 -14.404 -7.041 -0.115 1.00 0.00 N ATOM 260 CA ASN A 56 -14.906 -5.673 -0.454 1.00 0.00 C ATOM 261 C ASN A 56 -14.493 -4.643 0.588 1.00 0.00 C ATOM 262 O ASN A 56 -13.737 -3.738 0.297 1.00 0.00 O ATOM 263 CB ASN A 56 -16.441 -5.725 -0.498 1.00 0.00 C ATOM 264 CG ASN A 56 -16.976 -4.395 -1.033 1.00 0.00 C ATOM 265 OD1 ASN A 56 -16.361 -3.358 -0.878 1.00 0.00 O ATOM 266 ND2 ASN A 56 -18.115 -4.380 -1.669 1.00 0.00 N ATOM 0 H ASN A 56 -15.018 -7.595 0.482 1.00 0.00 H new ATOM 0 HA ASN A 56 -14.480 -5.378 -1.413 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -16.771 -6.546 -1.135 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -16.839 -5.916 0.499 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -18.484 -3.502 -2.033 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -18.636 -5.247 -1.802 1.00 0.00 H new ATOM 273 N HIS A 57 -15.006 -4.800 1.784 1.00 0.00 N ATOM 274 CA HIS A 57 -14.667 -3.839 2.879 1.00 0.00 C ATOM 275 C HIS A 57 -13.213 -3.384 2.809 1.00 0.00 C ATOM 276 O HIS A 57 -12.924 -2.214 2.936 1.00 0.00 O ATOM 277 CB HIS A 57 -14.892 -4.546 4.225 1.00 0.00 C ATOM 278 CG HIS A 57 -16.230 -5.285 4.191 1.00 0.00 C ATOM 279 ND1 HIS A 57 -16.381 -6.471 3.834 1.00 0.00 N ATOM 280 CD2 HIS A 57 -17.494 -4.838 4.528 1.00 0.00 C ATOM 281 CE1 HIS A 57 -17.596 -6.828 3.906 1.00 0.00 C ATOM 282 NE2 HIS A 57 -18.388 -5.848 4.343 1.00 0.00 N ATOM 0 H HIS A 57 -15.644 -5.551 2.049 1.00 0.00 H new ATOM 0 HA HIS A 57 -15.302 -2.959 2.772 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -14.081 -5.248 4.420 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -14.886 -3.818 5.036 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -17.734 -3.846 4.882 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -17.949 -7.814 3.643 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -19.396 -5.854 4.498 1.00 0.00 H new ATOM 290 N ASP A 58 -12.329 -4.313 2.608 1.00 0.00 N ATOM 291 CA ASP A 58 -10.899 -3.943 2.530 1.00 0.00 C ATOM 292 C ASP A 58 -10.696 -2.794 1.543 1.00 0.00 C ATOM 293 O ASP A 58 -10.014 -1.832 1.837 1.00 0.00 O ATOM 294 CB ASP A 58 -10.106 -5.184 2.056 1.00 0.00 C ATOM 295 CG ASP A 58 -8.661 -5.096 2.557 1.00 0.00 C ATOM 296 OD1 ASP A 58 -8.310 -4.020 3.011 1.00 0.00 O ATOM 297 OD2 ASP A 58 -7.991 -6.110 2.456 1.00 0.00 O ATOM 0 H ASP A 58 -12.534 -5.306 2.495 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.549 -3.616 3.509 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.576 -6.093 2.431 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.121 -5.243 0.968 1.00 0.00 H new ATOM 302 N LEU A 59 -11.293 -2.917 0.392 1.00 0.00 N ATOM 303 CA LEU A 59 -11.147 -1.846 -0.623 1.00 0.00 C ATOM 304 C LEU A 59 -11.860 -0.587 -0.165 1.00 0.00 C ATOM 305 O LEU A 59 -11.510 0.496 -0.560 1.00 0.00 O ATOM 306 CB LEU A 59 -11.790 -2.349 -1.934 1.00 0.00 C ATOM 307 CG LEU A 59 -11.778 -1.235 -2.998 1.00 0.00 C ATOM 308 CD1 LEU A 59 -10.341 -0.709 -3.192 1.00 0.00 C ATOM 309 CD2 LEU A 59 -12.290 -1.812 -4.316 1.00 0.00 C ATOM 0 H LEU A 59 -11.872 -3.709 0.114 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.093 -1.612 -0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.247 -3.219 -2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -12.815 -2.669 -1.745 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.415 -0.412 -2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.340 0.078 -3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.970 -0.309 -2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.696 -1.525 -3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -12.287 -1.034 -5.079 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -11.643 -2.631 -4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -13.306 -2.183 -4.180 1.00 0.00 H new ATOM 321 N ILE A 60 -12.852 -0.747 0.667 1.00 0.00 N ATOM 322 CA ILE A 60 -13.581 0.452 1.149 1.00 0.00 C ATOM 323 C ILE A 60 -12.764 1.186 2.196 1.00 0.00 C ATOM 324 O ILE A 60 -12.656 2.396 2.164 1.00 0.00 O ATOM 325 CB ILE A 60 -14.912 0.010 1.769 1.00 0.00 C ATOM 326 CG1 ILE A 60 -15.637 -0.934 0.809 1.00 0.00 C ATOM 327 CG2 ILE A 60 -15.790 1.261 1.995 1.00 0.00 C ATOM 328 CD1 ILE A 60 -17.048 -1.226 1.340 1.00 0.00 C ATOM 0 H ILE A 60 -13.183 -1.642 1.027 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.758 1.122 0.308 1.00 0.00 H new ATOM 0 HB ILE A 60 -14.726 -0.502 2.713 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -15.696 -0.485 -0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -15.077 -1.863 0.705 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -16.741 0.963 2.436 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.278 1.948 2.668 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -15.972 1.755 1.041 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -17.563 -1.899 0.654 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -16.978 -1.693 2.322 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -17.607 -0.293 1.421 1.00 0.00 H new ATOM 340 N ARG A 61 -12.196 0.447 3.108 1.00 0.00 N ATOM 341 CA ARG A 61 -11.382 1.099 4.160 1.00 0.00 C ATOM 342 C ARG A 61 -10.019 1.475 3.601 1.00 0.00 C ATOM 343 O ARG A 61 -9.204 2.064 4.284 1.00 0.00 O ATOM 344 CB ARG A 61 -11.194 0.103 5.326 1.00 0.00 C ATOM 345 CG ARG A 61 -12.480 0.050 6.164 1.00 0.00 C ATOM 346 CD ARG A 61 -12.203 -0.716 7.460 1.00 0.00 C ATOM 347 NE ARG A 61 -13.442 -0.689 8.313 1.00 0.00 N ATOM 348 CZ ARG A 61 -13.357 -0.372 9.586 1.00 0.00 C ATOM 349 NH1 ARG A 61 -12.441 -0.944 10.318 1.00 0.00 N ATOM 350 NH2 ARG A 61 -14.192 0.505 10.077 1.00 0.00 N ATOM 0 H ARG A 61 -12.261 -0.569 3.167 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.886 2.000 4.508 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -10.959 -0.888 4.938 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.353 0.409 5.949 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.823 1.060 6.390 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.275 -0.439 5.601 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.920 -1.745 7.237 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.367 -0.264 7.994 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.348 -0.917 7.904 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.806 -1.624 9.901 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.360 -0.711 11.308 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.896 0.932 9.475 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.140 0.762 11.063 1.00 0.00 H new ATOM 364 N HIS A 62 -9.797 1.123 2.349 1.00 0.00 N ATOM 365 CA HIS A 62 -8.488 1.444 1.697 1.00 0.00 C ATOM 366 C HIS A 62 -8.650 2.562 0.652 1.00 0.00 C ATOM 367 O HIS A 62 -7.900 3.519 0.646 1.00 0.00 O ATOM 368 CB HIS A 62 -7.966 0.163 0.996 1.00 0.00 C ATOM 369 CG HIS A 62 -6.860 0.545 0.012 1.00 0.00 C ATOM 370 ND1 HIS A 62 -5.639 0.532 0.273 1.00 0.00 N ATOM 371 CD2 HIS A 62 -6.969 1.072 -1.256 1.00 0.00 C ATOM 372 CE1 HIS A 62 -4.955 1.006 -0.679 1.00 0.00 C ATOM 373 NE2 HIS A 62 -5.715 1.389 -1.706 1.00 0.00 N ATOM 0 H HIS A 62 -10.466 0.630 1.757 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.786 1.787 2.457 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -7.584 -0.541 1.735 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -8.780 -0.336 0.471 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.243 0.183 1.145 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -7.889 1.212 -1.804 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -3.878 1.091 -0.662 1.00 0.00 H new ATOM 381 N LYS A 63 -9.620 2.418 -0.209 1.00 0.00 N ATOM 382 CA LYS A 63 -9.834 3.459 -1.249 1.00 0.00 C ATOM 383 C LYS A 63 -9.935 4.847 -0.620 1.00 0.00 C ATOM 384 O LYS A 63 -9.808 5.848 -1.295 1.00 0.00 O ATOM 385 CB LYS A 63 -11.153 3.135 -1.983 1.00 0.00 C ATOM 386 CG LYS A 63 -11.267 3.970 -3.299 1.00 0.00 C ATOM 387 CD LYS A 63 -10.774 3.134 -4.494 1.00 0.00 C ATOM 388 CE LYS A 63 -10.801 3.996 -5.758 1.00 0.00 C ATOM 389 NZ LYS A 63 -9.727 5.026 -5.707 1.00 0.00 N ATOM 0 H LYS A 63 -10.268 1.631 -0.236 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.991 3.460 -1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.194 2.071 -2.216 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.001 3.352 -1.333 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.302 4.274 -3.459 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.676 4.882 -3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.763 2.773 -4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.407 2.256 -4.625 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.668 3.367 -6.638 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.773 4.480 -5.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.307 5.136 -6.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.131 5.934 -5.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.992 4.728 -5.034 1.00 0.00 H new ATOM 403 N LYS A 64 -10.152 4.886 0.667 1.00 0.00 N ATOM 404 CA LYS A 64 -10.262 6.205 1.337 1.00 0.00 C ATOM 405 C LYS A 64 -9.069 7.091 0.981 1.00 0.00 C ATOM 406 O LYS A 64 -9.220 8.273 0.748 1.00 0.00 O ATOM 407 CB LYS A 64 -10.296 5.979 2.869 1.00 0.00 C ATOM 408 CG LYS A 64 -11.727 5.577 3.302 1.00 0.00 C ATOM 409 CD LYS A 64 -12.594 6.849 3.503 1.00 0.00 C ATOM 410 CE LYS A 64 -12.400 7.400 4.927 1.00 0.00 C ATOM 411 NZ LYS A 64 -12.714 8.856 4.966 1.00 0.00 N ATOM 0 H LYS A 64 -10.256 4.072 1.273 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.173 6.703 1.004 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.588 5.199 3.148 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.990 6.887 3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.178 4.934 2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.689 5.002 4.227 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.317 7.607 2.770 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.645 6.613 3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.045 6.863 5.623 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.373 7.234 5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.579 9.215 5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.081 9.365 4.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.701 9.006 4.676 1.00 0.00 H new ATOM 425 N SER A 65 -7.906 6.503 0.945 1.00 0.00 N ATOM 426 CA SER A 65 -6.700 7.300 0.605 1.00 0.00 C ATOM 427 C SER A 65 -6.889 8.011 -0.731 1.00 0.00 C ATOM 428 O SER A 65 -6.302 9.048 -0.975 1.00 0.00 O ATOM 429 CB SER A 65 -5.499 6.348 0.498 1.00 0.00 C ATOM 430 OG SER A 65 -4.371 7.210 0.503 1.00 0.00 O ATOM 0 H SER A 65 -7.741 5.514 1.135 1.00 0.00 H new ATOM 0 HA SER A 65 -6.533 8.047 1.381 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.470 5.648 1.333 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.542 5.753 -0.414 1.00 0.00 H new ATOM 0 HG SER A 65 -3.551 6.677 0.439 1.00 0.00 H new ATOM 436 N HIS A 66 -7.712 7.434 -1.578 1.00 0.00 N ATOM 437 CA HIS A 66 -7.965 8.053 -2.916 1.00 0.00 C ATOM 438 C HIS A 66 -9.298 8.787 -2.920 1.00 0.00 C ATOM 439 O HIS A 66 -10.016 8.760 -3.899 1.00 0.00 O ATOM 440 CB HIS A 66 -8.034 6.931 -3.973 1.00 0.00 C ATOM 441 CG HIS A 66 -6.885 5.946 -3.761 1.00 0.00 C ATOM 442 ND1 HIS A 66 -5.690 6.263 -3.590 1.00 0.00 N ATOM 443 CD2 HIS A 66 -6.906 4.565 -3.729 1.00 0.00 C ATOM 444 CE1 HIS A 66 -4.955 5.238 -3.453 1.00 0.00 C ATOM 445 NE2 HIS A 66 -5.645 4.106 -3.526 1.00 0.00 N ATOM 0 H HIS A 66 -8.216 6.565 -1.399 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.162 8.756 -3.137 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.989 6.410 -3.902 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.978 7.358 -4.974 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.348 7.224 -3.564 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.785 3.949 -3.847 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.888 5.281 -3.295 1.00 0.00 H new ATOM 453 N GLN A 67 -9.612 9.421 -1.818 1.00 0.00 N ATOM 454 CA GLN A 67 -10.904 10.167 -1.739 1.00 0.00 C ATOM 455 C GLN A 67 -11.191 10.918 -3.039 1.00 0.00 C ATOM 456 O GLN A 67 -12.322 11.247 -3.332 1.00 0.00 O ATOM 457 CB GLN A 67 -10.813 11.181 -0.583 1.00 0.00 C ATOM 458 CG GLN A 67 -9.466 11.904 -0.651 1.00 0.00 C ATOM 459 CD GLN A 67 -9.508 13.141 0.250 1.00 0.00 C ATOM 460 OE1 GLN A 67 -8.603 13.951 0.252 1.00 0.00 O ATOM 461 NE2 GLN A 67 -10.539 13.323 1.031 1.00 0.00 N ATOM 0 H GLN A 67 -9.035 9.454 -0.977 1.00 0.00 H new ATOM 0 HA GLN A 67 -11.711 9.454 -1.571 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.629 11.901 -0.650 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.917 10.670 0.374 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.666 11.236 -0.333 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -9.249 12.196 -1.678 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -11.302 12.646 1.034 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -10.581 14.142 1.638 1.00 0.00 H new ATOM 470 N GLU A 68 -10.153 11.173 -3.797 1.00 0.00 N ATOM 471 CA GLU A 68 -10.340 11.899 -5.081 1.00 0.00 C ATOM 472 C GLU A 68 -10.748 10.932 -6.188 1.00 0.00 C ATOM 473 O GLU A 68 -10.006 10.035 -6.533 1.00 0.00 O ATOM 474 CB GLU A 68 -9.001 12.556 -5.464 1.00 0.00 C ATOM 475 CG GLU A 68 -8.789 13.799 -4.599 1.00 0.00 C ATOM 476 CD GLU A 68 -7.360 14.309 -4.792 1.00 0.00 C ATOM 477 OE1 GLU A 68 -6.477 13.661 -4.255 1.00 0.00 O ATOM 478 OE2 GLU A 68 -7.231 15.317 -5.466 1.00 0.00 O ATOM 0 H GLU A 68 -9.192 10.910 -3.580 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.123 12.648 -4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.181 11.852 -5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.004 12.828 -6.519 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.505 14.574 -4.874 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.964 13.561 -3.550 1.00 0.00 H new ATOM 485 N LYS A 69 -11.925 11.132 -6.722 1.00 0.00 N ATOM 486 CA LYS A 69 -12.402 10.235 -7.808 1.00 0.00 C ATOM 487 C LYS A 69 -12.448 8.783 -7.338 1.00 0.00 C ATOM 488 O LYS A 69 -11.438 8.210 -6.984 1.00 0.00 O ATOM 489 CB LYS A 69 -11.430 10.345 -9.002 1.00 0.00 C ATOM 490 CG LYS A 69 -12.120 9.807 -10.261 1.00 0.00 C ATOM 491 CD LYS A 69 -11.066 9.543 -11.345 1.00 0.00 C ATOM 492 CE LYS A 69 -10.389 10.863 -11.730 1.00 0.00 C ATOM 493 NZ LYS A 69 -9.688 10.726 -13.038 1.00 0.00 N ATOM 0 H LYS A 69 -12.571 11.874 -6.453 1.00 0.00 H new ATOM 0 HA LYS A 69 -13.408 10.537 -8.097 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.133 11.383 -9.151 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.521 9.779 -8.800 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.658 8.888 -10.030 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.856 10.526 -10.621 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.323 8.834 -10.980 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.534 9.093 -12.220 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.134 11.657 -11.791 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.677 11.153 -10.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.234 11.629 -13.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.964 9.983 -12.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.376 10.471 -13.775 1.00 0.00 H new ATOM 507 N ALA A 70 -13.624 8.214 -7.345 1.00 0.00 N ATOM 508 CA ALA A 70 -13.753 6.804 -6.904 1.00 0.00 C ATOM 509 C ALA A 70 -13.223 5.852 -7.969 1.00 0.00 C ATOM 510 O ALA A 70 -13.500 4.673 -7.827 1.00 0.00 O ATOM 511 CB ALA A 70 -15.242 6.507 -6.666 1.00 0.00 C ATOM 512 OXT ALA A 70 -12.569 6.356 -8.867 1.00 0.00 O ATOM 0 H ALA A 70 -14.492 8.664 -7.635 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.174 6.660 -5.992 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -15.359 5.473 -6.340 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -15.628 7.176 -5.897 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.796 6.661 -7.592 1.00 0.00 H new TER 518 ALA A 70 HETATM 519 ZN ZN A 71 -4.991 2.225 -3.374 1.00 0.00 ZN