USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=4 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= 0 USER MOD Set 1.2: A 56 ASN : amide:sc= -0.435 X(o=-0.43,f=-0.14) USER MOD Single : A 43 SER OG : rot 56:sc= -1.16! USER MOD Single : A 46 HIS : no HD1:sc= -8.14! C(o=-8.1!,f=-7.5!) USER MOD Single : A 51 LYS NZ :NH3+ -161:sc= -0.185 (180deg=-0.991) USER MOD Single : A 57 HIS : no HD1:sc= -0.285 X(o=-0.29,f=-0.29) 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 90:sc= 0.314 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 39 -9.921 -15.633 -5.073 1.00 0.00 N ATOM 2 CA ASP A 39 -10.765 -14.749 -5.910 1.00 0.00 C ATOM 3 C ASP A 39 -10.385 -13.294 -5.677 1.00 0.00 C ATOM 4 O ASP A 39 -10.101 -12.896 -4.567 1.00 0.00 O ATOM 5 CB ASP A 39 -12.244 -14.933 -5.536 1.00 0.00 C ATOM 6 CG ASP A 39 -12.437 -14.609 -4.052 1.00 0.00 C ATOM 7 OD1 ASP A 39 -12.277 -13.443 -3.727 1.00 0.00 O ATOM 8 OD2 ASP A 39 -12.732 -15.545 -3.327 1.00 0.00 O ATOM 0 HA ASP A 39 -10.609 -15.010 -6.957 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -12.869 -14.281 -6.146 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -12.558 -15.957 -5.740 1.00 0.00 H new ATOM 15 N ARG A 40 -10.393 -12.519 -6.736 1.00 0.00 N ATOM 16 CA ARG A 40 -10.034 -11.071 -6.607 1.00 0.00 C ATOM 17 C ARG A 40 -10.966 -10.198 -7.458 1.00 0.00 C ATOM 18 O ARG A 40 -10.543 -9.602 -8.429 1.00 0.00 O ATOM 19 CB ARG A 40 -8.596 -10.890 -7.120 1.00 0.00 C ATOM 20 CG ARG A 40 -7.700 -11.963 -6.497 1.00 0.00 C ATOM 21 CD ARG A 40 -6.246 -11.682 -6.879 1.00 0.00 C ATOM 22 NE ARG A 40 -5.787 -10.458 -6.166 1.00 0.00 N ATOM 23 CZ ARG A 40 -5.537 -10.517 -4.886 1.00 0.00 C ATOM 24 NH1 ARG A 40 -4.951 -11.580 -4.407 1.00 0.00 N ATOM 25 NH2 ARG A 40 -5.884 -9.512 -4.130 1.00 0.00 N ATOM 0 H ARG A 40 -10.631 -12.825 -7.679 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.128 -10.771 -5.563 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.573 -10.966 -8.207 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.228 -9.897 -6.862 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.811 -11.963 -5.413 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.997 -12.951 -6.848 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.616 -12.531 -6.614 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.159 -11.545 -7.957 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.669 -9.581 -6.673 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.696 -12.346 -5.030 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.747 -11.644 -3.410 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.342 -8.699 -4.541 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.697 -9.539 -3.128 1.00 0.00 H new ATOM 39 N PRO A 41 -12.238 -10.140 -7.073 1.00 0.00 N ATOM 40 CA PRO A 41 -13.219 -9.342 -7.807 1.00 0.00 C ATOM 41 C PRO A 41 -12.837 -7.855 -7.833 1.00 0.00 C ATOM 42 O PRO A 41 -13.463 -7.070 -8.518 1.00 0.00 O ATOM 43 CB PRO A 41 -14.561 -9.539 -7.032 1.00 0.00 C ATOM 44 CG PRO A 41 -14.289 -10.582 -5.895 1.00 0.00 C ATOM 45 CD PRO A 41 -12.768 -10.871 -5.899 1.00 0.00 C ATOM 0 HA PRO A 41 -13.283 -9.657 -8.849 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.906 -8.594 -6.613 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -15.344 -9.895 -7.702 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -14.604 -10.189 -4.928 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -14.856 -11.497 -6.068 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.299 -10.528 -4.977 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.570 -11.940 -5.978 1.00 0.00 H new ATOM 53 N TYR A 42 -11.814 -7.496 -7.081 1.00 0.00 N ATOM 54 CA TYR A 42 -11.378 -6.119 -7.036 1.00 0.00 C ATOM 55 C TYR A 42 -9.900 -6.040 -7.257 1.00 0.00 C ATOM 56 O TYR A 42 -9.235 -7.002 -7.581 1.00 0.00 O ATOM 57 CB TYR A 42 -11.673 -5.573 -5.627 1.00 0.00 C ATOM 58 CG TYR A 42 -13.178 -5.380 -5.439 1.00 0.00 C ATOM 59 CD1 TYR A 42 -13.833 -4.349 -6.080 1.00 0.00 C ATOM 60 CD2 TYR A 42 -13.886 -6.186 -4.572 1.00 0.00 C ATOM 61 CE1 TYR A 42 -15.173 -4.122 -5.853 1.00 0.00 C ATOM 62 CE2 TYR A 42 -15.226 -5.960 -4.344 1.00 0.00 C ATOM 63 CZ TYR A 42 -15.882 -4.926 -4.983 1.00 0.00 C ATOM 64 OH TYR A 42 -17.223 -4.703 -4.756 1.00 0.00 O ATOM 0 H TYR A 42 -11.274 -8.136 -6.498 1.00 0.00 H new ATOM 0 HA TYR A 42 -11.895 -5.548 -7.807 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -11.291 -6.263 -4.875 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -11.156 -4.624 -5.481 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -13.291 -3.714 -6.766 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -13.386 -7.000 -4.068 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -15.672 -3.309 -6.359 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -15.768 -6.597 -3.660 1.00 0.00 H new ATOM 0 HH TYR A 42 -17.561 -5.364 -4.116 1.00 0.00 H new ATOM 74 N SER A 43 -9.456 -4.894 -7.064 1.00 0.00 N ATOM 75 CA SER A 43 -8.008 -4.553 -7.219 1.00 0.00 C ATOM 76 C SER A 43 -7.862 -3.047 -7.434 1.00 0.00 C ATOM 77 O SER A 43 -7.938 -2.575 -8.551 1.00 0.00 O ATOM 78 CB SER A 43 -7.432 -5.293 -8.454 1.00 0.00 C ATOM 79 OG SER A 43 -8.518 -5.355 -9.367 1.00 0.00 O ATOM 0 H SER A 43 -10.040 -4.105 -6.787 1.00 0.00 H new ATOM 0 HA SER A 43 -7.468 -4.855 -6.321 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.585 -4.755 -8.880 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.077 -6.289 -8.190 1.00 0.00 H new ATOM 0 HG SER A 43 -8.854 -4.450 -9.537 1.00 0.00 H new ATOM 85 N CYS A 44 -7.653 -2.309 -6.369 1.00 0.00 N ATOM 86 CA CYS A 44 -7.510 -0.855 -6.537 1.00 0.00 C ATOM 87 C CYS A 44 -6.395 -0.528 -7.514 1.00 0.00 C ATOM 88 O CYS A 44 -5.510 -1.328 -7.749 1.00 0.00 O ATOM 89 CB CYS A 44 -7.172 -0.237 -5.183 1.00 0.00 C ATOM 90 SG CYS A 44 -6.941 1.546 -5.147 1.00 0.00 S ATOM 0 H CYS A 44 -7.578 -2.656 -5.413 1.00 0.00 H new ATOM 0 HA CYS A 44 -8.445 -0.454 -6.927 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.969 -0.492 -4.484 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.261 -0.706 -4.812 1.00 0.00 H new ATOM 95 N ASP A 45 -6.458 0.650 -8.069 1.00 0.00 N ATOM 96 CA ASP A 45 -5.416 1.067 -9.038 1.00 0.00 C ATOM 97 C ASP A 45 -5.359 2.580 -9.133 1.00 0.00 C ATOM 98 O ASP A 45 -5.175 3.134 -10.198 1.00 0.00 O ATOM 99 CB ASP A 45 -5.778 0.498 -10.419 1.00 0.00 C ATOM 100 CG ASP A 45 -4.683 0.871 -11.420 1.00 0.00 C ATOM 101 OD1 ASP A 45 -3.609 1.204 -10.949 1.00 0.00 O ATOM 102 OD2 ASP A 45 -4.984 0.805 -12.600 1.00 0.00 O ATOM 0 H ASP A 45 -7.188 1.340 -7.891 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.447 0.695 -8.707 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.882 -0.586 -10.363 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -6.739 0.894 -10.748 1.00 0.00 H new ATOM 107 N HIS A 46 -5.520 3.229 -8.014 1.00 0.00 N ATOM 108 CA HIS A 46 -5.479 4.702 -8.024 1.00 0.00 C ATOM 109 C HIS A 46 -4.047 5.173 -8.404 1.00 0.00 C ATOM 110 O HIS A 46 -3.083 4.489 -8.125 1.00 0.00 O ATOM 111 CB HIS A 46 -5.877 5.188 -6.584 1.00 0.00 C ATOM 112 CG HIS A 46 -5.054 6.414 -6.144 1.00 0.00 C ATOM 113 ND1 HIS A 46 -5.461 7.594 -6.155 1.00 0.00 N ATOM 114 CD2 HIS A 46 -3.769 6.474 -5.647 1.00 0.00 C ATOM 115 CE1 HIS A 46 -4.581 8.395 -5.723 1.00 0.00 C ATOM 116 NE2 HIS A 46 -3.456 7.770 -5.372 1.00 0.00 N ATOM 0 H HIS A 46 -5.677 2.799 -7.102 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.170 5.120 -8.757 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.938 5.437 -6.565 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.728 4.376 -5.872 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.115 5.627 -5.499 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.725 9.463 -5.647 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.591 8.160 -4.997 1.00 0.00 H new ATOM 124 N PRO A 47 -3.936 6.341 -9.037 1.00 0.00 N ATOM 125 CA PRO A 47 -2.630 6.862 -9.431 1.00 0.00 C ATOM 126 C PRO A 47 -1.625 6.806 -8.273 1.00 0.00 C ATOM 127 O PRO A 47 -1.666 7.618 -7.371 1.00 0.00 O ATOM 128 CB PRO A 47 -2.903 8.342 -9.859 1.00 0.00 C ATOM 129 CG PRO A 47 -4.457 8.554 -9.814 1.00 0.00 C ATOM 130 CD PRO A 47 -5.084 7.208 -9.373 1.00 0.00 C ATOM 0 HA PRO A 47 -2.188 6.272 -10.233 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.399 9.037 -9.187 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.517 8.531 -10.861 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.718 9.349 -9.115 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.834 8.853 -10.792 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.742 7.342 -8.514 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.686 6.773 -10.171 1.00 0.00 H new ATOM 138 N GLY A 48 -0.737 5.838 -8.328 1.00 0.00 N ATOM 139 CA GLY A 48 0.292 5.701 -7.243 1.00 0.00 C ATOM 140 C GLY A 48 -0.083 4.587 -6.255 1.00 0.00 C ATOM 141 O GLY A 48 0.083 4.742 -5.061 1.00 0.00 O ATOM 0 H GLY A 48 -0.680 5.142 -9.071 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.264 5.485 -7.686 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.388 6.646 -6.709 1.00 0.00 H new ATOM 145 N CYS A 49 -0.581 3.489 -6.763 1.00 0.00 N ATOM 146 CA CYS A 49 -0.956 2.380 -5.844 1.00 0.00 C ATOM 147 C CYS A 49 -1.220 1.088 -6.592 1.00 0.00 C ATOM 148 O CYS A 49 -1.348 1.069 -7.800 1.00 0.00 O ATOM 149 CB CYS A 49 -2.238 2.758 -5.095 1.00 0.00 C ATOM 150 SG CYS A 49 -3.187 1.389 -4.379 1.00 0.00 S ATOM 0 H CYS A 49 -0.741 3.316 -7.755 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.121 2.226 -5.160 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.974 3.447 -4.293 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.887 3.301 -5.782 1.00 0.00 H new ATOM 155 N ASP A 50 -1.290 0.028 -5.843 1.00 0.00 N ATOM 156 CA ASP A 50 -1.544 -1.296 -6.447 1.00 0.00 C ATOM 157 C ASP A 50 -1.890 -2.306 -5.354 1.00 0.00 C ATOM 158 O ASP A 50 -1.651 -3.489 -5.493 1.00 0.00 O ATOM 159 CB ASP A 50 -0.267 -1.753 -7.182 1.00 0.00 C ATOM 160 CG ASP A 50 -0.629 -2.834 -8.204 1.00 0.00 C ATOM 161 OD1 ASP A 50 -0.979 -3.912 -7.751 1.00 0.00 O ATOM 162 OD2 ASP A 50 -0.533 -2.521 -9.379 1.00 0.00 O ATOM 0 H ASP A 50 -1.181 0.026 -4.829 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.378 -1.230 -7.146 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.201 -0.905 -7.683 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.458 -2.141 -6.467 1.00 0.00 H new ATOM 167 N LYS A 51 -2.449 -1.807 -4.279 1.00 0.00 N ATOM 168 CA LYS A 51 -2.823 -2.702 -3.156 1.00 0.00 C ATOM 169 C LYS A 51 -3.896 -3.705 -3.590 1.00 0.00 C ATOM 170 O LYS A 51 -5.074 -3.479 -3.393 1.00 0.00 O ATOM 171 CB LYS A 51 -3.379 -1.821 -1.996 1.00 0.00 C ATOM 172 CG LYS A 51 -2.220 -1.373 -1.086 1.00 0.00 C ATOM 173 CD LYS A 51 -1.279 -0.459 -1.873 1.00 0.00 C ATOM 174 CE LYS A 51 -0.179 0.054 -0.937 1.00 0.00 C ATOM 175 NZ LYS A 51 -0.774 0.655 0.292 1.00 0.00 N ATOM 0 H LYS A 51 -2.660 -0.819 -4.137 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.945 -3.262 -2.833 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.894 -0.950 -2.402 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.112 -2.384 -1.418 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.610 -0.848 -0.214 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.676 -2.242 -0.717 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.838 -1.003 -2.709 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.834 0.379 -2.295 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.484 -0.766 -0.663 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.429 0.797 -1.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.073 1.271 0.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.611 1.216 0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.053 -0.102 0.948 1.00 0.00 H new ATOM 189 N ALA A 52 -3.470 -4.799 -4.174 1.00 0.00 N ATOM 190 CA ALA A 52 -4.458 -5.824 -4.622 1.00 0.00 C ATOM 191 C ALA A 52 -5.484 -6.074 -3.532 1.00 0.00 C ATOM 192 O ALA A 52 -5.254 -5.755 -2.382 1.00 0.00 O ATOM 193 CB ALA A 52 -3.705 -7.133 -4.905 1.00 0.00 C ATOM 0 H ALA A 52 -2.492 -5.023 -4.357 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.969 -5.470 -5.517 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.411 -7.895 -5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.963 -6.965 -5.686 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.206 -7.469 -3.996 1.00 0.00 H new ATOM 199 N PHE A 53 -6.607 -6.642 -3.900 1.00 0.00 N ATOM 200 CA PHE A 53 -7.655 -6.911 -2.868 1.00 0.00 C ATOM 201 C PHE A 53 -8.435 -8.184 -3.162 1.00 0.00 C ATOM 202 O PHE A 53 -8.628 -8.562 -4.301 1.00 0.00 O ATOM 203 CB PHE A 53 -8.623 -5.703 -2.855 1.00 0.00 C ATOM 204 CG PHE A 53 -8.024 -4.611 -1.963 1.00 0.00 C ATOM 205 CD1 PHE A 53 -7.893 -4.821 -0.602 1.00 0.00 C ATOM 206 CD2 PHE A 53 -7.569 -3.421 -2.505 1.00 0.00 C ATOM 207 CE1 PHE A 53 -7.315 -3.864 0.201 1.00 0.00 C ATOM 208 CE2 PHE A 53 -6.990 -2.463 -1.697 1.00 0.00 C ATOM 209 CZ PHE A 53 -6.864 -2.688 -0.345 1.00 0.00 C ATOM 0 H PHE A 53 -6.840 -6.926 -4.851 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.172 -7.048 -1.901 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -8.772 -5.326 -3.867 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.601 -6.005 -2.480 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.247 -5.743 -0.166 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.668 -3.241 -3.565 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.216 -4.039 1.262 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.636 -1.537 -2.126 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.410 -1.939 0.287 1.00 0.00 H new ATOM 219 N VAL A 54 -8.871 -8.820 -2.096 1.00 0.00 N ATOM 220 CA VAL A 54 -9.653 -10.087 -2.222 1.00 0.00 C ATOM 221 C VAL A 54 -11.042 -9.909 -1.591 1.00 0.00 C ATOM 222 O VAL A 54 -12.007 -10.503 -2.031 1.00 0.00 O ATOM 223 CB VAL A 54 -8.881 -11.205 -1.460 1.00 0.00 C ATOM 224 CG1 VAL A 54 -7.846 -11.845 -2.403 1.00 0.00 C ATOM 225 CG2 VAL A 54 -8.150 -10.590 -0.249 1.00 0.00 C ATOM 0 H VAL A 54 -8.715 -8.509 -1.137 1.00 0.00 H new ATOM 0 HA VAL A 54 -9.775 -10.350 -3.273 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.585 -11.963 -1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.305 -12.628 -1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.356 -12.277 -3.264 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.143 -11.084 -2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.609 -11.371 0.285 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.446 -9.833 -0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.877 -10.130 0.420 1.00 0.00 H new ATOM 235 N ARG A 55 -11.110 -9.091 -0.561 1.00 0.00 N ATOM 236 CA ARG A 55 -12.425 -8.853 0.121 1.00 0.00 C ATOM 237 C ARG A 55 -13.084 -7.589 -0.411 1.00 0.00 C ATOM 238 O ARG A 55 -12.963 -7.267 -1.577 1.00 0.00 O ATOM 239 CB ARG A 55 -12.173 -8.680 1.635 1.00 0.00 C ATOM 240 CG ARG A 55 -11.370 -9.881 2.161 1.00 0.00 C ATOM 241 CD ARG A 55 -11.531 -9.982 3.683 1.00 0.00 C ATOM 242 NE ARG A 55 -10.415 -10.820 4.227 1.00 0.00 N ATOM 243 CZ ARG A 55 -10.614 -11.563 5.286 1.00 0.00 C ATOM 244 NH1 ARG A 55 -10.657 -10.991 6.459 1.00 0.00 N ATOM 245 NH2 ARG A 55 -10.762 -12.850 5.134 1.00 0.00 N ATOM 0 H ARG A 55 -10.318 -8.583 -0.167 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.082 -9.702 -0.070 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.627 -7.755 1.820 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.122 -8.602 2.166 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.717 -10.799 1.687 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.317 -9.768 1.903 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.512 -8.989 4.132 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.494 -10.427 3.933 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.502 -10.812 3.773 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.536 -9.981 6.539 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.811 -11.554 7.296 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.722 -13.261 4.202 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.918 -13.445 5.948 1.00 0.00 H new ATOM 259 N ASN A 56 -13.776 -6.892 0.457 1.00 0.00 N ATOM 260 CA ASN A 56 -14.464 -5.632 0.032 1.00 0.00 C ATOM 261 C ASN A 56 -14.292 -4.523 1.071 1.00 0.00 C ATOM 262 O ASN A 56 -14.030 -3.394 0.731 1.00 0.00 O ATOM 263 CB ASN A 56 -15.960 -5.941 -0.119 1.00 0.00 C ATOM 264 CG ASN A 56 -16.659 -4.760 -0.790 1.00 0.00 C ATOM 265 OD1 ASN A 56 -17.701 -4.314 -0.356 1.00 0.00 O ATOM 266 ND2 ASN A 56 -16.122 -4.226 -1.853 1.00 0.00 N ATOM 0 H ASN A 56 -13.894 -7.140 1.439 1.00 0.00 H new ATOM 0 HA ASN A 56 -14.028 -5.288 -0.906 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -16.097 -6.844 -0.714 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -16.403 -6.132 0.858 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -16.578 -3.439 -2.314 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -15.246 -4.596 -2.223 1.00 0.00 H new ATOM 273 N HIS A 57 -14.444 -4.859 2.319 1.00 0.00 N ATOM 274 CA HIS A 57 -14.286 -3.814 3.365 1.00 0.00 C ATOM 275 C HIS A 57 -12.924 -3.145 3.260 1.00 0.00 C ATOM 276 O HIS A 57 -12.831 -1.941 3.149 1.00 0.00 O ATOM 277 CB HIS A 57 -14.412 -4.477 4.748 1.00 0.00 C ATOM 278 CG HIS A 57 -15.565 -5.482 4.729 1.00 0.00 C ATOM 279 ND1 HIS A 57 -15.450 -6.702 4.964 1.00 0.00 N ATOM 280 CD2 HIS A 57 -16.907 -5.282 4.468 1.00 0.00 C ATOM 281 CE1 HIS A 57 -16.565 -7.299 4.884 1.00 0.00 C ATOM 282 NE2 HIS A 57 -17.562 -6.471 4.570 1.00 0.00 N ATOM 0 H HIS A 57 -14.667 -5.795 2.657 1.00 0.00 H new ATOM 0 HA HIS A 57 -15.058 -3.057 3.227 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -13.481 -4.981 5.008 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -14.588 -3.719 5.512 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -17.363 -4.334 4.222 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -16.693 -8.358 5.051 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -18.553 -6.675 4.441 1.00 0.00 H new ATOM 290 N ASP A 58 -11.883 -3.933 3.299 1.00 0.00 N ATOM 291 CA ASP A 58 -10.532 -3.335 3.199 1.00 0.00 C ATOM 292 C ASP A 58 -10.473 -2.374 2.015 1.00 0.00 C ATOM 293 O ASP A 58 -9.935 -1.296 2.117 1.00 0.00 O ATOM 294 CB ASP A 58 -9.511 -4.463 2.990 1.00 0.00 C ATOM 295 CG ASP A 58 -9.832 -5.617 3.942 1.00 0.00 C ATOM 296 OD1 ASP A 58 -9.452 -5.490 5.094 1.00 0.00 O ATOM 297 OD2 ASP A 58 -10.437 -6.561 3.464 1.00 0.00 O ATOM 0 H ASP A 58 -11.913 -4.948 3.394 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.306 -2.785 4.112 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.541 -4.809 1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.502 -4.095 3.174 1.00 0.00 H new ATOM 302 N LEU A 59 -11.047 -2.793 0.915 1.00 0.00 N ATOM 303 CA LEU A 59 -11.049 -1.933 -0.300 1.00 0.00 C ATOM 304 C LEU A 59 -11.858 -0.672 -0.044 1.00 0.00 C ATOM 305 O LEU A 59 -11.550 0.380 -0.563 1.00 0.00 O ATOM 306 CB LEU A 59 -11.701 -2.748 -1.434 1.00 0.00 C ATOM 307 CG LEU A 59 -11.879 -1.897 -2.716 1.00 0.00 C ATOM 308 CD1 LEU A 59 -10.497 -1.395 -3.201 1.00 0.00 C ATOM 309 CD2 LEU A 59 -12.540 -2.787 -3.805 1.00 0.00 C ATOM 0 H LEU A 59 -11.513 -3.694 0.809 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.034 -1.638 -0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.085 -3.619 -1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -12.672 -3.119 -1.105 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.510 -1.032 -2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.623 -0.796 -4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.038 -0.786 -2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.856 -2.249 -3.419 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -12.675 -2.206 -4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -11.900 -3.645 -4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -13.510 -3.136 -3.451 1.00 0.00 H new ATOM 321 N ILE A 60 -12.890 -0.800 0.753 1.00 0.00 N ATOM 322 CA ILE A 60 -13.720 0.387 1.049 1.00 0.00 C ATOM 323 C ILE A 60 -12.952 1.339 1.956 1.00 0.00 C ATOM 324 O ILE A 60 -12.988 2.541 1.776 1.00 0.00 O ATOM 325 CB ILE A 60 -15.018 -0.071 1.748 1.00 0.00 C ATOM 326 CG1 ILE A 60 -15.920 -0.784 0.728 1.00 0.00 C ATOM 327 CG2 ILE A 60 -15.772 1.173 2.281 1.00 0.00 C ATOM 328 CD1 ILE A 60 -17.121 -1.457 1.443 1.00 0.00 C ATOM 0 H ILE A 60 -13.184 -1.667 1.202 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.966 0.905 0.122 1.00 0.00 H new ATOM 0 HB ILE A 60 -14.771 -0.746 2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -16.283 -0.068 -0.009 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -15.344 -1.535 0.186 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -16.690 0.857 2.776 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.140 1.704 2.993 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -16.017 1.834 1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -17.749 -1.957 0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -16.753 -2.189 2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -17.706 -0.699 1.964 1.00 0.00 H new ATOM 340 N ARG A 61 -12.266 0.782 2.916 1.00 0.00 N ATOM 341 CA ARG A 61 -11.486 1.635 3.846 1.00 0.00 C ATOM 342 C ARG A 61 -10.173 2.047 3.194 1.00 0.00 C ATOM 343 O ARG A 61 -9.578 3.040 3.560 1.00 0.00 O ATOM 344 CB ARG A 61 -11.177 0.814 5.116 1.00 0.00 C ATOM 345 CG ARG A 61 -12.439 0.741 6.004 1.00 0.00 C ATOM 346 CD ARG A 61 -12.643 2.069 6.780 1.00 0.00 C ATOM 347 NE ARG A 61 -13.470 2.996 5.955 1.00 0.00 N ATOM 348 CZ ARG A 61 -13.498 4.268 6.255 1.00 0.00 C ATOM 349 NH1 ARG A 61 -12.386 4.952 6.205 1.00 0.00 N ATOM 350 NH2 ARG A 61 -14.634 4.813 6.593 1.00 0.00 N ATOM 0 H ARG A 61 -12.214 -0.221 3.093 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.059 2.528 4.094 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -10.854 -0.190 4.843 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.357 1.274 5.668 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.313 0.538 5.386 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.347 -0.086 6.708 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.134 1.875 7.734 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.679 2.525 7.005 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.008 2.641 5.165 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.516 4.492 5.935 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.388 5.946 6.436 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.483 4.248 6.620 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.674 5.804 6.830 1.00 0.00 H new ATOM 364 N HIS A 62 -9.745 1.268 2.228 1.00 0.00 N ATOM 365 CA HIS A 62 -8.471 1.589 1.530 1.00 0.00 C ATOM 366 C HIS A 62 -8.705 2.584 0.382 1.00 0.00 C ATOM 367 O HIS A 62 -7.895 3.457 0.147 1.00 0.00 O ATOM 368 CB HIS A 62 -7.882 0.271 0.958 1.00 0.00 C ATOM 369 CG HIS A 62 -6.799 0.591 -0.067 1.00 0.00 C ATOM 370 ND1 HIS A 62 -5.573 0.603 0.167 1.00 0.00 N ATOM 371 CD2 HIS A 62 -6.936 1.015 -1.369 1.00 0.00 C ATOM 372 CE1 HIS A 62 -4.915 1.004 -0.835 1.00 0.00 C ATOM 373 NE2 HIS A 62 -5.701 1.305 -1.867 1.00 0.00 N ATOM 0 H HIS A 62 -10.224 0.430 1.898 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.781 2.047 2.239 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -7.465 -0.332 1.765 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -8.672 -0.320 0.494 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.155 0.324 1.055 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -7.868 1.103 -1.907 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -3.839 1.092 -0.852 1.00 0.00 H new ATOM 381 N LYS A 63 -9.805 2.434 -0.310 1.00 0.00 N ATOM 382 CA LYS A 63 -10.083 3.363 -1.429 1.00 0.00 C ATOM 383 C LYS A 63 -10.443 4.755 -0.923 1.00 0.00 C ATOM 384 O LYS A 63 -9.844 5.735 -1.323 1.00 0.00 O ATOM 385 CB LYS A 63 -11.259 2.808 -2.241 1.00 0.00 C ATOM 386 CG LYS A 63 -11.502 3.715 -3.448 1.00 0.00 C ATOM 387 CD LYS A 63 -12.499 3.039 -4.399 1.00 0.00 C ATOM 388 CE LYS A 63 -13.863 2.903 -3.708 1.00 0.00 C ATOM 389 NZ LYS A 63 -14.944 2.733 -4.721 1.00 0.00 N ATOM 0 H LYS A 63 -10.511 1.716 -0.147 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.186 3.447 -2.043 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.043 1.792 -2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.154 2.758 -1.621 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.891 4.679 -3.120 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.563 3.910 -3.966 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.600 3.626 -5.312 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.129 2.056 -4.691 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.852 2.048 -3.032 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.060 3.787 -3.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.861 2.642 -4.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.964 3.561 -5.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.762 1.877 -5.282 1.00 0.00 H new ATOM 403 N LYS A 64 -11.414 4.823 -0.056 1.00 0.00 N ATOM 404 CA LYS A 64 -11.816 6.150 0.477 1.00 0.00 C ATOM 405 C LYS A 64 -10.599 6.951 0.925 1.00 0.00 C ATOM 406 O LYS A 64 -10.665 8.157 1.065 1.00 0.00 O ATOM 407 CB LYS A 64 -12.738 5.932 1.689 1.00 0.00 C ATOM 408 CG LYS A 64 -13.241 7.294 2.184 1.00 0.00 C ATOM 409 CD LYS A 64 -14.322 7.086 3.261 1.00 0.00 C ATOM 410 CE LYS A 64 -15.586 6.450 2.637 1.00 0.00 C ATOM 411 NZ LYS A 64 -16.802 6.894 3.374 1.00 0.00 N ATOM 0 H LYS A 64 -11.940 4.026 0.302 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.327 6.705 -0.310 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -13.580 5.297 1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.199 5.418 2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.412 7.872 2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.649 7.867 1.351 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.937 6.444 4.053 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.576 8.041 3.720 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.664 6.733 1.587 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.509 5.363 2.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -17.645 6.461 2.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.730 6.602 4.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.881 7.930 3.322 1.00 0.00 H new ATOM 425 N SER A 65 -9.507 6.271 1.140 1.00 0.00 N ATOM 426 CA SER A 65 -8.282 6.985 1.577 1.00 0.00 C ATOM 427 C SER A 65 -7.701 7.809 0.435 1.00 0.00 C ATOM 428 O SER A 65 -7.269 8.928 0.631 1.00 0.00 O ATOM 429 CB SER A 65 -7.244 5.944 2.020 1.00 0.00 C ATOM 430 OG SER A 65 -7.934 5.147 2.974 1.00 0.00 O ATOM 0 H SER A 65 -9.413 5.261 1.032 1.00 0.00 H new ATOM 0 HA SER A 65 -8.534 7.657 2.398 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.896 5.345 1.178 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.366 6.419 2.458 1.00 0.00 H new ATOM 0 HG SER A 65 -8.376 4.400 2.518 1.00 0.00 H new ATOM 436 N HIS A 66 -7.698 7.240 -0.740 1.00 0.00 N ATOM 437 CA HIS A 66 -7.149 7.974 -1.905 1.00 0.00 C ATOM 438 C HIS A 66 -7.853 9.316 -2.072 1.00 0.00 C ATOM 439 O HIS A 66 -7.466 10.127 -2.891 1.00 0.00 O ATOM 440 CB HIS A 66 -7.393 7.129 -3.170 1.00 0.00 C ATOM 441 CG HIS A 66 -6.366 5.998 -3.237 1.00 0.00 C ATOM 442 ND1 HIS A 66 -5.130 6.149 -3.172 1.00 0.00 N ATOM 443 CD2 HIS A 66 -6.562 4.643 -3.402 1.00 0.00 C ATOM 444 CE1 HIS A 66 -4.520 5.042 -3.279 1.00 0.00 C ATOM 445 NE2 HIS A 66 -5.357 4.015 -3.432 1.00 0.00 N ATOM 0 H HIS A 66 -8.051 6.304 -0.939 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.085 8.150 -1.750 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.402 6.717 -3.155 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.317 7.756 -4.059 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -4.667 7.050 -3.048 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.522 4.157 -3.493 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.445 4.942 -3.250 1.00 0.00 H new ATOM 453 N GLN A 67 -8.880 9.528 -1.287 1.00 0.00 N ATOM 454 CA GLN A 67 -9.630 10.812 -1.380 1.00 0.00 C ATOM 455 C GLN A 67 -10.205 11.202 -0.024 1.00 0.00 C ATOM 456 O GLN A 67 -11.357 10.941 0.263 1.00 0.00 O ATOM 457 CB GLN A 67 -10.788 10.618 -2.375 1.00 0.00 C ATOM 458 CG GLN A 67 -11.591 11.921 -2.484 1.00 0.00 C ATOM 459 CD GLN A 67 -12.441 11.892 -3.757 1.00 0.00 C ATOM 460 OE1 GLN A 67 -13.626 11.623 -3.722 1.00 0.00 O ATOM 461 NE2 GLN A 67 -11.877 12.164 -4.903 1.00 0.00 N ATOM 0 H GLN A 67 -9.228 8.869 -0.590 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.954 11.601 -1.710 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.398 10.335 -3.353 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -11.435 9.806 -2.043 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -12.231 12.041 -1.610 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.916 12.776 -2.504 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.883 12.391 -4.941 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -12.430 12.150 -5.760 1.00 0.00 H new ATOM 470 N GLU A 68 -9.380 11.818 0.793 1.00 0.00 N ATOM 471 CA GLU A 68 -9.844 12.246 2.152 1.00 0.00 C ATOM 472 C GLU A 68 -9.989 13.761 2.212 1.00 0.00 C ATOM 473 O GLU A 68 -11.054 14.274 2.491 1.00 0.00 O ATOM 474 CB GLU A 68 -8.785 11.812 3.178 1.00 0.00 C ATOM 475 CG GLU A 68 -9.322 12.067 4.590 1.00 0.00 C ATOM 476 CD GLU A 68 -8.392 11.409 5.615 1.00 0.00 C ATOM 477 OE1 GLU A 68 -7.567 10.625 5.176 1.00 0.00 O ATOM 478 OE2 GLU A 68 -8.562 11.728 6.780 1.00 0.00 O ATOM 0 H GLU A 68 -8.409 12.042 0.577 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.810 11.790 2.366 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.549 10.756 3.051 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.860 12.367 3.021 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.388 13.139 4.778 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.330 11.664 4.686 1.00 0.00 H new ATOM 485 N LYS A 69 -8.908 14.453 1.949 1.00 0.00 N ATOM 486 CA LYS A 69 -8.955 15.944 1.982 1.00 0.00 C ATOM 487 C LYS A 69 -9.277 16.502 0.601 1.00 0.00 C ATOM 488 O LYS A 69 -8.612 16.189 -0.368 1.00 0.00 O ATOM 489 CB LYS A 69 -7.573 16.461 2.413 1.00 0.00 C ATOM 490 CG LYS A 69 -7.606 17.996 2.477 1.00 0.00 C ATOM 491 CD LYS A 69 -6.348 18.519 3.215 1.00 0.00 C ATOM 492 CE LYS A 69 -6.595 18.529 4.733 1.00 0.00 C ATOM 493 NZ LYS A 69 -5.443 19.157 5.441 1.00 0.00 N ATOM 0 H LYS A 69 -8.000 14.051 1.714 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.729 16.263 2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.305 16.050 3.386 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.811 16.131 1.707 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.646 18.410 1.470 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.506 18.328 2.994 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.491 17.888 2.982 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.106 19.525 2.871 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.510 19.078 4.956 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.739 17.510 5.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.623 19.157 6.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.577 18.617 5.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.324 20.136 5.110 1.00 0.00 H new ATOM 507 N ALA A 70 -10.296 17.316 0.533 1.00 0.00 N ATOM 508 CA ALA A 70 -10.677 17.904 -0.777 1.00 0.00 C ATOM 509 C ALA A 70 -9.557 18.775 -1.333 1.00 0.00 C ATOM 510 O ALA A 70 -9.899 19.722 -2.022 1.00 0.00 O ATOM 511 CB ALA A 70 -11.922 18.778 -0.570 1.00 0.00 C ATOM 512 OXT ALA A 70 -8.419 18.446 -1.041 1.00 0.00 O ATOM 0 H ALA A 70 -10.876 17.596 1.324 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.872 17.097 -1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.219 19.220 -1.521 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.737 18.165 -0.185 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -11.696 19.571 0.143 1.00 0.00 H new TER 518 ALA A 70 HETATM 519 ZN ZN A 71 -5.268 2.037 -3.666 1.00 0.00 ZN