USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 250 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 21 HIS HE2 : A 21 HIS NE2 : A 31 ZNZN :(H bumps) USER MOD NoAdj-H: A 26 HIS HE2 : A 26 HIS NE2 : A 31 ZNZN :(H bumps) USER MOD Set 1.1: A 24 THR OG1 : rot 2:sc= 0.0986 USER MOD Set 1.2: A 25 LYS NZ :NH3+ -117:sc= 0.312 (180deg=0) USER MOD Set 2.1: A 12 SER OG : rot -120:sc= 0.426 USER MOD Set 2.2: A 17 ASN : amide:sc= 0.468 X(o=0.89,f=0.72) USER MOD Single : A 1 LYS N :NH3+ 160:sc= -0.177 (180deg=-0.692) USER MOD Single : A 1 LYS NZ :NH3+ -110:sc= -0.026 (180deg=-1.5) USER MOD Single : A 2 THR OG1 : rot -100:sc= 0.493 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -1.65 K(o=-1.6,f=-7.6!) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.0744 USER MOD Single : A 16 SER OG : rot 180:sc= -0.149 USER MOD Single : A 19 LYS NZ :NH3+ -170:sc= -0.0143 (180deg=-0.16) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -174:sc= -0.459 (180deg=-0.509) USER MOD Single : A 27 SER OG : rot 116:sc= 0.00873 USER MOD Single : A 28 LYS NZ :NH3+ 161:sc= -0.0678 (180deg=-0.532) USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.131) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.277 8.239 -2.780 1.00 0.00 N ATOM 2 CA LYS A 1 -13.149 8.830 -1.416 1.00 0.00 C ATOM 3 C LYS A 1 -11.699 8.684 -0.913 1.00 0.00 C ATOM 4 O LYS A 1 -11.073 9.676 -0.591 1.00 0.00 O ATOM 5 CB LYS A 1 -14.168 8.118 -0.464 1.00 0.00 C ATOM 6 CG LYS A 1 -14.002 6.576 -0.453 1.00 0.00 C ATOM 7 CD LYS A 1 -15.220 5.937 0.247 1.00 0.00 C ATOM 8 CE LYS A 1 -15.081 4.403 0.248 1.00 0.00 C ATOM 9 NZ LYS A 1 -13.890 3.983 1.042 1.00 0.00 N ATOM 0 H1 LYS A 1 -14.277 8.030 -2.975 1.00 0.00 H new ATOM 0 H2 LYS A 1 -12.920 8.914 -3.486 1.00 0.00 H new ATOM 0 H3 LYS A 1 -12.723 7.360 -2.831 1.00 0.00 H new ATOM 0 HA LYS A 1 -13.379 9.895 -1.439 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -14.040 8.500 0.549 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -15.183 8.368 -0.773 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -13.916 6.201 -1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -13.084 6.301 0.066 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -15.296 6.304 1.270 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -16.138 6.227 -0.265 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -15.981 3.951 0.666 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -14.988 4.040 -0.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -13.160 3.611 0.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -13.512 4.802 1.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -14.167 3.243 1.718 1.00 0.00 H new ATOM 25 N THR A 2 -11.208 7.470 -0.856 1.00 0.00 N ATOM 26 CA THR A 2 -9.807 7.211 -0.389 1.00 0.00 C ATOM 27 C THR A 2 -9.110 6.295 -1.404 1.00 0.00 C ATOM 28 O THR A 2 -9.668 5.911 -2.414 1.00 0.00 O ATOM 29 CB THR A 2 -9.842 6.541 1.033 1.00 0.00 C ATOM 30 OG1 THR A 2 -8.491 6.388 1.456 1.00 0.00 O ATOM 31 CG2 THR A 2 -10.393 5.101 1.024 1.00 0.00 C ATOM 0 H THR A 2 -11.727 6.632 -1.118 1.00 0.00 H new ATOM 0 HA THR A 2 -9.254 8.147 -0.314 1.00 0.00 H new ATOM 0 HB THR A 2 -10.471 7.172 1.661 1.00 0.00 H new ATOM 0 HG1 THR A 2 -8.204 5.463 1.305 1.00 0.00 H new ATOM 0 HG21 THR A 2 -10.387 4.703 2.039 1.00 0.00 H new ATOM 0 HG22 THR A 2 -11.414 5.104 0.641 1.00 0.00 H new ATOM 0 HG23 THR A 2 -9.768 4.476 0.386 1.00 0.00 H new ATOM 39 N TYR A 3 -7.892 5.990 -1.062 1.00 0.00 N ATOM 40 CA TYR A 3 -7.010 5.111 -1.883 1.00 0.00 C ATOM 41 C TYR A 3 -6.771 3.864 -1.020 1.00 0.00 C ATOM 42 O TYR A 3 -6.486 3.983 0.157 1.00 0.00 O ATOM 43 CB TYR A 3 -5.671 5.820 -2.164 1.00 0.00 C ATOM 44 CG TYR A 3 -5.779 6.974 -3.189 1.00 0.00 C ATOM 45 CD1 TYR A 3 -6.771 7.940 -3.144 1.00 0.00 C ATOM 46 CD2 TYR A 3 -4.827 7.065 -4.189 1.00 0.00 C ATOM 47 CE1 TYR A 3 -6.810 8.961 -4.067 1.00 0.00 C ATOM 48 CE2 TYR A 3 -4.866 8.087 -5.113 1.00 0.00 C ATOM 49 CZ TYR A 3 -5.857 9.044 -5.058 1.00 0.00 C ATOM 50 OH TYR A 3 -5.897 10.072 -5.978 1.00 0.00 O ATOM 0 H TYR A 3 -7.451 6.330 -0.207 1.00 0.00 H new ATOM 0 HA TYR A 3 -7.458 4.866 -2.846 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -5.276 6.214 -1.228 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -4.952 5.087 -2.530 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -7.526 7.891 -2.373 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.042 6.325 -4.246 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -7.594 9.702 -4.014 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.114 8.139 -5.887 1.00 0.00 H new ATOM 0 HH TYR A 3 -5.150 9.979 -6.605 1.00 0.00 H new ATOM 60 N GLN A 4 -6.883 2.722 -1.648 1.00 0.00 N ATOM 61 CA GLN A 4 -6.690 1.402 -0.961 1.00 0.00 C ATOM 62 C GLN A 4 -5.368 0.773 -1.433 1.00 0.00 C ATOM 63 O GLN A 4 -4.710 1.306 -2.306 1.00 0.00 O ATOM 64 CB GLN A 4 -7.938 0.540 -1.326 1.00 0.00 C ATOM 65 CG GLN A 4 -7.946 -0.904 -0.736 1.00 0.00 C ATOM 66 CD GLN A 4 -7.986 -0.899 0.797 1.00 0.00 C ATOM 67 OE1 GLN A 4 -7.095 -0.406 1.454 1.00 0.00 O ATOM 68 NE2 GLN A 4 -9.002 -1.439 1.410 1.00 0.00 N ATOM 0 H GLN A 4 -7.107 2.645 -2.640 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.615 1.491 0.123 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -8.832 1.060 -0.982 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.007 0.472 -2.412 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.810 -1.447 -1.119 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.058 -1.438 -1.074 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.759 -1.858 0.870 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.039 -1.443 2.429 1.00 0.00 H new ATOM 77 N CYS A 5 -5.021 -0.344 -0.846 1.00 0.00 N ATOM 78 CA CYS A 5 -3.756 -1.044 -1.224 1.00 0.00 C ATOM 79 C CYS A 5 -4.048 -2.032 -2.362 1.00 0.00 C ATOM 80 O CYS A 5 -5.192 -2.240 -2.718 1.00 0.00 O ATOM 81 CB CYS A 5 -3.228 -1.772 0.020 1.00 0.00 C ATOM 82 SG CYS A 5 -1.678 -2.684 -0.154 1.00 0.00 S ATOM 0 H CYS A 5 -5.564 -0.804 -0.116 1.00 0.00 H new ATOM 0 HA CYS A 5 -3.003 -0.338 -1.574 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -3.100 -1.036 0.813 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -3.995 -2.470 0.354 1.00 0.00 H new ATOM 87 N GLN A 6 -3.001 -2.610 -2.896 1.00 0.00 N ATOM 88 CA GLN A 6 -3.144 -3.591 -4.019 1.00 0.00 C ATOM 89 C GLN A 6 -2.606 -4.978 -3.614 1.00 0.00 C ATOM 90 O GLN A 6 -2.401 -5.839 -4.448 1.00 0.00 O ATOM 91 CB GLN A 6 -2.374 -2.984 -5.211 1.00 0.00 C ATOM 92 CG GLN A 6 -2.718 -3.694 -6.534 1.00 0.00 C ATOM 93 CD GLN A 6 -1.973 -3.004 -7.684 1.00 0.00 C ATOM 94 OE1 GLN A 6 -2.143 -1.828 -7.941 1.00 0.00 O ATOM 95 NE2 GLN A 6 -1.137 -3.701 -8.404 1.00 0.00 N ATOM 0 H GLN A 6 -2.040 -2.442 -2.598 1.00 0.00 H new ATOM 0 HA GLN A 6 -4.188 -3.755 -4.285 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -2.611 -1.923 -5.295 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -1.302 -3.057 -5.027 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -2.436 -4.745 -6.481 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -3.793 -3.661 -6.710 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.986 -4.688 -8.198 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -0.634 -3.258 -9.173 1.00 0.00 H new ATOM 104 N TYR A 7 -2.396 -5.152 -2.333 1.00 0.00 N ATOM 105 CA TYR A 7 -1.875 -6.448 -1.792 1.00 0.00 C ATOM 106 C TYR A 7 -2.727 -6.952 -0.626 1.00 0.00 C ATOM 107 O TYR A 7 -3.096 -8.111 -0.608 1.00 0.00 O ATOM 108 CB TYR A 7 -0.420 -6.236 -1.346 1.00 0.00 C ATOM 109 CG TYR A 7 0.469 -6.064 -2.594 1.00 0.00 C ATOM 110 CD1 TYR A 7 0.575 -7.093 -3.514 1.00 0.00 C ATOM 111 CD2 TYR A 7 1.168 -4.892 -2.820 1.00 0.00 C ATOM 112 CE1 TYR A 7 1.363 -6.954 -4.636 1.00 0.00 C ATOM 113 CE2 TYR A 7 1.959 -4.757 -3.943 1.00 0.00 C ATOM 114 CZ TYR A 7 2.061 -5.784 -4.857 1.00 0.00 C ATOM 115 OH TYR A 7 2.854 -5.645 -5.979 1.00 0.00 O ATOM 0 H TYR A 7 -2.567 -4.438 -1.625 1.00 0.00 H new ATOM 0 HA TYR A 7 -1.922 -7.208 -2.572 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.347 -5.356 -0.708 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -0.080 -7.087 -0.756 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.035 -8.014 -3.351 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.094 -4.078 -2.114 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.435 -7.765 -5.346 1.00 0.00 H new ATOM 0 HE2 TYR A 7 2.503 -3.839 -4.107 1.00 0.00 H new ATOM 0 HH TYR A 7 3.272 -4.758 -5.977 1.00 0.00 H new ATOM 125 N CYS A 8 -3.016 -6.082 0.312 1.00 0.00 N ATOM 126 CA CYS A 8 -3.839 -6.474 1.485 1.00 0.00 C ATOM 127 C CYS A 8 -5.162 -5.701 1.351 1.00 0.00 C ATOM 128 O CYS A 8 -5.894 -5.912 0.404 1.00 0.00 O ATOM 129 CB CYS A 8 -3.028 -6.104 2.765 1.00 0.00 C ATOM 130 SG CYS A 8 -2.596 -4.374 3.094 1.00 0.00 S ATOM 0 H CYS A 8 -2.711 -5.109 0.309 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.066 -7.538 1.545 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.594 -6.466 3.623 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.097 -6.671 2.735 1.00 0.00 H new ATOM 135 N GLU A 9 -5.431 -4.835 2.288 1.00 0.00 N ATOM 136 CA GLU A 9 -6.686 -4.021 2.270 1.00 0.00 C ATOM 137 C GLU A 9 -6.536 -2.844 3.245 1.00 0.00 C ATOM 138 O GLU A 9 -7.446 -2.516 3.982 1.00 0.00 O ATOM 139 CB GLU A 9 -7.878 -4.942 2.671 1.00 0.00 C ATOM 140 CG GLU A 9 -7.610 -5.615 4.043 1.00 0.00 C ATOM 141 CD GLU A 9 -8.801 -6.514 4.422 1.00 0.00 C ATOM 142 OE1 GLU A 9 -8.997 -7.491 3.716 1.00 0.00 O ATOM 143 OE2 GLU A 9 -9.451 -6.172 5.398 1.00 0.00 O ATOM 0 H GLU A 9 -4.821 -4.651 3.085 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.875 -3.616 1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.796 -4.357 2.720 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.027 -5.706 1.908 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.696 -6.207 3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.458 -4.854 4.809 1.00 0.00 H new ATOM 150 N LEU A 10 -5.375 -2.239 3.203 1.00 0.00 N ATOM 151 CA LEU A 10 -5.084 -1.077 4.097 1.00 0.00 C ATOM 152 C LEU A 10 -5.095 0.195 3.259 1.00 0.00 C ATOM 153 O LEU A 10 -4.482 0.258 2.211 1.00 0.00 O ATOM 154 CB LEU A 10 -3.699 -1.327 4.760 1.00 0.00 C ATOM 155 CG LEU A 10 -3.329 -0.191 5.769 1.00 0.00 C ATOM 156 CD1 LEU A 10 -2.323 -0.747 6.801 1.00 0.00 C ATOM 157 CD2 LEU A 10 -2.621 0.985 5.045 1.00 0.00 C ATOM 0 H LEU A 10 -4.610 -2.503 2.582 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.832 -0.965 4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.711 -2.285 5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.932 -1.393 3.988 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.250 0.156 6.238 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.058 0.037 7.510 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.775 -1.582 7.336 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.425 -1.089 6.286 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.374 1.762 5.769 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.707 0.624 4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.284 1.396 4.284 1.00 0.00 H new ATOM 169 N ARG A 11 -5.805 1.171 3.764 1.00 0.00 N ATOM 170 CA ARG A 11 -5.919 2.487 3.067 1.00 0.00 C ATOM 171 C ARG A 11 -5.248 3.570 3.902 1.00 0.00 C ATOM 172 O ARG A 11 -4.897 3.359 5.048 1.00 0.00 O ATOM 173 CB ARG A 11 -7.437 2.817 2.846 1.00 0.00 C ATOM 174 CG ARG A 11 -8.279 2.855 4.162 1.00 0.00 C ATOM 175 CD ARG A 11 -8.111 4.179 4.958 1.00 0.00 C ATOM 176 NE ARG A 11 -8.710 5.313 4.185 1.00 0.00 N ATOM 177 CZ ARG A 11 -9.579 6.103 4.754 1.00 0.00 C ATOM 178 NH1 ARG A 11 -10.836 5.756 4.783 1.00 0.00 N ATOM 179 NH2 ARG A 11 -9.146 7.220 5.269 1.00 0.00 N ATOM 0 H ARG A 11 -6.318 1.110 4.643 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.420 2.443 2.099 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.519 3.782 2.347 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.866 2.073 2.174 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.332 2.718 3.916 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.988 2.018 4.796 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.595 4.094 5.931 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.054 4.371 5.144 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.439 5.468 3.214 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.132 4.874 4.363 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.523 6.366 5.225 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.154 7.454 5.220 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.799 7.860 5.721 1.00 0.00 H new ATOM 193 N SER A 12 -5.096 4.700 3.271 1.00 0.00 N ATOM 194 CA SER A 12 -4.462 5.881 3.930 1.00 0.00 C ATOM 195 C SER A 12 -5.443 7.034 3.690 1.00 0.00 C ATOM 196 O SER A 12 -6.268 7.344 4.526 1.00 0.00 O ATOM 197 CB SER A 12 -3.078 6.104 3.262 1.00 0.00 C ATOM 198 OG SER A 12 -2.542 7.249 3.907 1.00 0.00 O ATOM 0 H SER A 12 -5.390 4.860 2.307 1.00 0.00 H new ATOM 0 HA SER A 12 -4.282 5.772 4.999 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.431 5.237 3.394 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.179 6.266 2.189 1.00 0.00 H new ATOM 0 HG SER A 12 -2.379 7.952 3.244 1.00 0.00 H new ATOM 204 N ALA A 13 -5.307 7.623 2.533 1.00 0.00 N ATOM 205 CA ALA A 13 -6.160 8.760 2.095 1.00 0.00 C ATOM 206 C ALA A 13 -5.895 8.832 0.594 1.00 0.00 C ATOM 207 O ALA A 13 -6.770 8.569 -0.207 1.00 0.00 O ATOM 208 CB ALA A 13 -5.710 10.053 2.809 1.00 0.00 C ATOM 0 H ALA A 13 -4.606 7.347 1.845 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.218 8.638 2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.337 10.884 2.486 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.805 9.925 3.887 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.670 10.264 2.558 1.00 0.00 H new ATOM 214 N ASP A 14 -4.673 9.191 0.277 1.00 0.00 N ATOM 215 CA ASP A 14 -4.226 9.312 -1.142 1.00 0.00 C ATOM 216 C ASP A 14 -2.857 8.648 -1.345 1.00 0.00 C ATOM 217 O ASP A 14 -2.128 8.393 -0.402 1.00 0.00 O ATOM 218 CB ASP A 14 -4.134 10.803 -1.531 1.00 0.00 C ATOM 219 CG ASP A 14 -5.544 11.422 -1.581 1.00 0.00 C ATOM 220 OD1 ASP A 14 -6.122 11.579 -0.516 1.00 0.00 O ATOM 221 OD2 ASP A 14 -5.967 11.703 -2.691 1.00 0.00 O ATOM 0 H ASP A 14 -3.951 9.410 0.963 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.955 8.806 -1.775 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.518 11.339 -0.809 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.648 10.905 -2.502 1.00 0.00 H new ATOM 226 N SER A 15 -2.571 8.390 -2.602 1.00 0.00 N ATOM 227 CA SER A 15 -1.280 7.751 -3.024 1.00 0.00 C ATOM 228 C SER A 15 -0.113 8.249 -2.153 1.00 0.00 C ATOM 229 O SER A 15 0.623 7.462 -1.595 1.00 0.00 O ATOM 230 CB SER A 15 -1.039 8.083 -4.519 1.00 0.00 C ATOM 231 OG SER A 15 -1.135 9.499 -4.619 1.00 0.00 O ATOM 0 H SER A 15 -3.200 8.603 -3.376 1.00 0.00 H new ATOM 0 HA SER A 15 -1.340 6.671 -2.893 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.060 7.733 -4.845 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.779 7.595 -5.153 1.00 0.00 H new ATOM 0 HG SER A 15 -0.989 9.772 -5.549 1.00 0.00 H new ATOM 237 N SER A 16 -0.028 9.556 -2.110 1.00 0.00 N ATOM 238 CA SER A 16 0.989 10.351 -1.344 1.00 0.00 C ATOM 239 C SER A 16 1.788 9.601 -0.259 1.00 0.00 C ATOM 240 O SER A 16 3.001 9.660 -0.225 1.00 0.00 O ATOM 241 CB SER A 16 0.248 11.548 -0.707 1.00 0.00 C ATOM 242 OG SER A 16 -0.783 10.955 0.074 1.00 0.00 O ATOM 0 H SER A 16 -0.680 10.152 -2.620 1.00 0.00 H new ATOM 0 HA SER A 16 1.752 10.639 -2.067 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.918 12.147 -0.090 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.163 12.211 -1.468 1.00 0.00 H new ATOM 0 HG SER A 16 -1.303 11.658 0.517 1.00 0.00 H new ATOM 248 N ASN A 17 1.056 8.918 0.584 1.00 0.00 N ATOM 249 CA ASN A 17 1.647 8.132 1.710 1.00 0.00 C ATOM 250 C ASN A 17 1.578 6.628 1.407 1.00 0.00 C ATOM 251 O ASN A 17 2.538 5.907 1.611 1.00 0.00 O ATOM 252 CB ASN A 17 0.851 8.486 2.982 1.00 0.00 C ATOM 253 CG ASN A 17 1.273 7.602 4.161 1.00 0.00 C ATOM 254 OD1 ASN A 17 2.428 7.544 4.536 1.00 0.00 O ATOM 255 ND2 ASN A 17 0.357 6.899 4.769 1.00 0.00 N ATOM 0 H ASN A 17 0.038 8.872 0.536 1.00 0.00 H new ATOM 0 HA ASN A 17 2.700 8.378 1.848 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.010 9.534 3.234 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.215 8.362 2.794 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.611 6.303 5.557 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.613 6.946 4.457 1.00 0.00 H new ATOM 262 N LEU A 18 0.427 6.213 0.937 1.00 0.00 N ATOM 263 CA LEU A 18 0.182 4.775 0.585 1.00 0.00 C ATOM 264 C LEU A 18 1.400 4.131 -0.126 1.00 0.00 C ATOM 265 O LEU A 18 1.787 3.023 0.195 1.00 0.00 O ATOM 266 CB LEU A 18 -1.099 4.757 -0.289 1.00 0.00 C ATOM 267 CG LEU A 18 -1.842 3.400 -0.132 1.00 0.00 C ATOM 268 CD1 LEU A 18 -3.315 3.597 -0.544 1.00 0.00 C ATOM 269 CD2 LEU A 18 -1.238 2.333 -1.065 1.00 0.00 C ATOM 0 H LEU A 18 -0.374 6.825 0.778 1.00 0.00 H new ATOM 0 HA LEU A 18 0.042 4.170 1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.757 5.575 0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.836 4.916 -1.335 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.751 3.073 0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.851 2.654 -0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.775 4.349 0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.361 3.928 -1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.774 1.393 -0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.326 2.663 -2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.186 2.187 -0.818 1.00 0.00 H new ATOM 281 N LYS A 19 1.963 4.839 -1.076 1.00 0.00 N ATOM 282 CA LYS A 19 3.160 4.328 -1.836 1.00 0.00 C ATOM 283 C LYS A 19 4.182 3.670 -0.888 1.00 0.00 C ATOM 284 O LYS A 19 4.642 2.567 -1.117 1.00 0.00 O ATOM 285 CB LYS A 19 3.834 5.504 -2.585 1.00 0.00 C ATOM 286 CG LYS A 19 2.890 6.119 -3.658 1.00 0.00 C ATOM 287 CD LYS A 19 2.408 5.080 -4.711 1.00 0.00 C ATOM 288 CE LYS A 19 3.598 4.415 -5.433 1.00 0.00 C ATOM 289 NZ LYS A 19 4.418 5.443 -6.138 1.00 0.00 N ATOM 0 H LYS A 19 1.643 5.763 -1.365 1.00 0.00 H new ATOM 0 HA LYS A 19 2.820 3.576 -2.548 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.122 6.274 -1.869 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.749 5.154 -3.063 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.023 6.556 -3.163 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.409 6.931 -4.168 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.805 4.316 -4.220 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.766 5.572 -5.442 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.216 3.879 -4.712 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.232 3.679 -6.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.111 4.972 -6.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.797 6.047 -6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.918 6.027 -5.438 1.00 0.00 H new ATOM 303 N THR A 20 4.496 4.395 0.159 1.00 0.00 N ATOM 304 CA THR A 20 5.470 3.914 1.188 1.00 0.00 C ATOM 305 C THR A 20 4.995 2.578 1.765 1.00 0.00 C ATOM 306 O THR A 20 5.736 1.613 1.727 1.00 0.00 O ATOM 307 CB THR A 20 5.579 4.965 2.310 1.00 0.00 C ATOM 308 OG1 THR A 20 6.012 6.149 1.656 1.00 0.00 O ATOM 309 CG2 THR A 20 6.724 4.632 3.284 1.00 0.00 C ATOM 0 H THR A 20 4.109 5.320 0.347 1.00 0.00 H new ATOM 0 HA THR A 20 6.448 3.770 0.730 1.00 0.00 H new ATOM 0 HB THR A 20 4.633 5.027 2.848 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.103 6.871 2.313 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.772 5.393 4.062 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.543 3.658 3.739 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.669 4.608 2.741 1.00 0.00 H new ATOM 317 N HIS A 21 3.781 2.572 2.283 1.00 0.00 N ATOM 318 CA HIS A 21 3.198 1.316 2.878 1.00 0.00 C ATOM 319 C HIS A 21 3.629 0.101 2.035 1.00 0.00 C ATOM 320 O HIS A 21 4.305 -0.788 2.510 1.00 0.00 O ATOM 321 CB HIS A 21 1.637 1.439 2.911 1.00 0.00 C ATOM 322 CG HIS A 21 0.989 0.066 3.163 1.00 0.00 C ATOM 323 ND1 HIS A 21 0.936 -0.571 4.288 1.00 0.00 N ATOM 324 CD2 HIS A 21 0.354 -0.770 2.264 1.00 0.00 C ATOM 325 CE1 HIS A 21 0.325 -1.704 4.118 1.00 0.00 C ATOM 326 NE2 HIS A 21 -0.051 -1.865 2.874 1.00 0.00 N ATOM 0 H HIS A 21 3.167 3.386 2.319 1.00 0.00 H new ATOM 0 HA HIS A 21 3.563 1.180 3.896 1.00 0.00 H new ATOM 0 HB2 HIS A 21 1.339 2.137 3.693 1.00 0.00 H new ATOM 0 HB3 HIS A 21 1.279 1.848 1.966 1.00 0.00 H new ATOM 0 HD1 HIS A 21 1.316 -0.235 5.173 1.00 0.00 H new ATOM 0 HD2 HIS A 21 0.211 -0.557 1.215 1.00 0.00 H new ATOM 0 HE1 HIS A 21 0.149 -2.423 4.904 1.00 0.00 H new ATOM 334 N ILE A 22 3.214 0.143 0.794 1.00 0.00 N ATOM 335 CA ILE A 22 3.524 -0.938 -0.191 1.00 0.00 C ATOM 336 C ILE A 22 5.015 -1.336 -0.170 1.00 0.00 C ATOM 337 O ILE A 22 5.354 -2.423 0.256 1.00 0.00 O ATOM 338 CB ILE A 22 3.107 -0.433 -1.609 1.00 0.00 C ATOM 339 CG1 ILE A 22 1.580 -0.105 -1.609 1.00 0.00 C ATOM 340 CG2 ILE A 22 3.395 -1.553 -2.647 1.00 0.00 C ATOM 341 CD1 ILE A 22 1.166 0.596 -2.920 1.00 0.00 C ATOM 0 H ILE A 22 2.656 0.906 0.412 1.00 0.00 H new ATOM 0 HA ILE A 22 2.965 -1.835 0.077 1.00 0.00 H new ATOM 0 HB ILE A 22 3.671 0.463 -1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.007 -1.024 -1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.342 0.535 -0.759 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.107 -1.211 -3.641 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.459 -1.792 -2.639 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.821 -2.444 -2.390 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.098 0.814 -2.895 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.724 1.527 -3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.383 -0.056 -3.766 1.00 0.00 H new ATOM 353 N LYS A 23 5.855 -0.443 -0.627 1.00 0.00 N ATOM 354 CA LYS A 23 7.332 -0.701 -0.668 1.00 0.00 C ATOM 355 C LYS A 23 7.930 -1.429 0.550 1.00 0.00 C ATOM 356 O LYS A 23 8.794 -2.270 0.391 1.00 0.00 O ATOM 357 CB LYS A 23 8.071 0.639 -0.850 1.00 0.00 C ATOM 358 CG LYS A 23 7.832 1.173 -2.286 1.00 0.00 C ATOM 359 CD LYS A 23 8.774 2.370 -2.577 1.00 0.00 C ATOM 360 CE LYS A 23 8.448 3.588 -1.687 1.00 0.00 C ATOM 361 NZ LYS A 23 7.072 4.088 -1.968 1.00 0.00 N ATOM 0 H LYS A 23 5.577 0.472 -0.981 1.00 0.00 H new ATOM 0 HA LYS A 23 7.472 -1.383 -1.507 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.716 1.364 -0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.138 0.504 -0.674 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.008 0.378 -3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.793 1.483 -2.398 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.808 2.067 -2.413 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.688 2.653 -3.626 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.533 3.311 -0.636 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.173 4.382 -1.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.906 4.966 -1.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.972 4.276 -2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.376 3.371 -1.678 1.00 0.00 H new ATOM 375 N THR A 24 7.454 -1.089 1.723 1.00 0.00 N ATOM 376 CA THR A 24 7.981 -1.736 2.971 1.00 0.00 C ATOM 377 C THR A 24 7.269 -2.987 3.511 1.00 0.00 C ATOM 378 O THR A 24 7.927 -3.878 4.013 1.00 0.00 O ATOM 379 CB THR A 24 8.021 -0.649 4.086 1.00 0.00 C ATOM 380 OG1 THR A 24 6.698 -0.144 4.213 1.00 0.00 O ATOM 381 CG2 THR A 24 8.847 0.583 3.658 1.00 0.00 C ATOM 0 H THR A 24 6.724 -0.392 1.873 1.00 0.00 H new ATOM 0 HA THR A 24 8.956 -2.126 2.679 1.00 0.00 H new ATOM 0 HB THR A 24 8.440 -1.102 4.985 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.104 -0.625 3.600 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.850 1.317 4.464 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.871 0.278 3.442 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.405 1.026 2.766 1.00 0.00 H new ATOM 389 N LYS A 25 5.971 -3.038 3.403 1.00 0.00 N ATOM 390 CA LYS A 25 5.204 -4.231 3.914 1.00 0.00 C ATOM 391 C LYS A 25 4.908 -5.291 2.839 1.00 0.00 C ATOM 392 O LYS A 25 4.525 -6.397 3.173 1.00 0.00 O ATOM 393 CB LYS A 25 3.867 -3.731 4.545 1.00 0.00 C ATOM 394 CG LYS A 25 4.097 -3.172 5.986 1.00 0.00 C ATOM 395 CD LYS A 25 5.045 -1.955 5.971 1.00 0.00 C ATOM 396 CE LYS A 25 5.271 -1.396 7.384 1.00 0.00 C ATOM 397 NZ LYS A 25 6.255 -0.279 7.296 1.00 0.00 N ATOM 0 H LYS A 25 5.397 -2.307 2.983 1.00 0.00 H new ATOM 0 HA LYS A 25 5.835 -4.724 4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.433 -2.954 3.916 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.149 -4.551 4.580 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.141 -2.885 6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.516 -3.954 6.619 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.002 -2.244 5.536 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.627 -1.176 5.333 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.331 -1.041 7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.643 -2.178 8.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.109 -0.526 7.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.508 -0.117 6.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.834 0.586 7.691 1.00 0.00 H new ATOM 411 N HIS A 26 5.088 -4.934 1.594 1.00 0.00 N ATOM 412 CA HIS A 26 4.838 -5.885 0.462 1.00 0.00 C ATOM 413 C HIS A 26 6.112 -6.049 -0.369 1.00 0.00 C ATOM 414 O HIS A 26 6.358 -7.117 -0.898 1.00 0.00 O ATOM 415 CB HIS A 26 3.698 -5.338 -0.408 1.00 0.00 C ATOM 416 CG HIS A 26 2.424 -5.286 0.443 1.00 0.00 C ATOM 417 ND1 HIS A 26 1.956 -6.278 1.132 1.00 0.00 N ATOM 418 CD2 HIS A 26 1.526 -4.260 0.668 1.00 0.00 C ATOM 419 CE1 HIS A 26 0.867 -5.919 1.738 1.00 0.00 C ATOM 420 NE2 HIS A 26 0.569 -4.673 1.472 1.00 0.00 N ATOM 0 H HIS A 26 5.403 -4.008 1.306 1.00 0.00 H new ATOM 0 HA HIS A 26 4.554 -6.861 0.854 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.947 -4.344 -0.779 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.547 -5.975 -1.280 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.381 -7.204 1.189 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.598 -3.268 0.247 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.283 -6.564 2.378 1.00 0.00 H new ATOM 428 N SER A 27 6.869 -4.979 -0.450 1.00 0.00 N ATOM 429 CA SER A 27 8.157 -4.948 -1.218 1.00 0.00 C ATOM 430 C SER A 27 8.083 -5.705 -2.555 1.00 0.00 C ATOM 431 O SER A 27 8.596 -6.795 -2.707 1.00 0.00 O ATOM 432 CB SER A 27 9.279 -5.539 -0.310 1.00 0.00 C ATOM 433 OG SER A 27 8.882 -6.869 0.008 1.00 0.00 O ATOM 0 H SER A 27 6.638 -4.094 0.002 1.00 0.00 H new ATOM 0 HA SER A 27 8.375 -3.912 -1.479 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.239 -5.533 -0.826 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.400 -4.943 0.595 1.00 0.00 H new ATOM 0 HG SER A 27 9.527 -7.502 -0.370 1.00 0.00 H new ATOM 439 N LYS A 28 7.421 -5.039 -3.469 1.00 0.00 N ATOM 440 CA LYS A 28 7.168 -5.504 -4.878 1.00 0.00 C ATOM 441 C LYS A 28 7.580 -6.962 -5.182 1.00 0.00 C ATOM 442 O LYS A 28 6.773 -7.863 -5.066 1.00 0.00 O ATOM 443 CB LYS A 28 7.913 -4.525 -5.842 1.00 0.00 C ATOM 444 CG LYS A 28 7.687 -3.038 -5.469 1.00 0.00 C ATOM 445 CD LYS A 28 6.199 -2.631 -5.536 1.00 0.00 C ATOM 446 CE LYS A 28 6.071 -1.156 -5.096 1.00 0.00 C ATOM 447 NZ LYS A 28 6.868 -0.268 -5.993 1.00 0.00 N ATOM 0 H LYS A 28 7.015 -4.122 -3.281 1.00 0.00 H new ATOM 0 HA LYS A 28 6.088 -5.494 -5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.981 -4.743 -5.822 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.572 -4.696 -6.863 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.065 -2.858 -4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.264 -2.406 -6.144 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.817 -2.758 -6.549 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.602 -3.272 -4.888 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.024 -0.855 -5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.416 -1.047 -4.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.531 0.712 -5.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.872 -0.316 -5.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.757 -0.580 -6.979 1.00 0.00 H new ATOM 461 N GLU A 29 8.821 -7.140 -5.557 1.00 0.00 N ATOM 462 CA GLU A 29 9.370 -8.492 -5.885 1.00 0.00 C ATOM 463 C GLU A 29 10.743 -8.638 -5.200 1.00 0.00 C ATOM 464 O GLU A 29 11.721 -9.055 -5.789 1.00 0.00 O ATOM 465 CB GLU A 29 9.443 -8.588 -7.446 1.00 0.00 C ATOM 466 CG GLU A 29 10.029 -9.941 -7.932 1.00 0.00 C ATOM 467 CD GLU A 29 9.347 -11.123 -7.216 1.00 0.00 C ATOM 468 OE1 GLU A 29 8.172 -11.322 -7.481 1.00 0.00 O ATOM 469 OE2 GLU A 29 10.041 -11.759 -6.440 1.00 0.00 O ATOM 0 H GLU A 29 9.497 -6.382 -5.652 1.00 0.00 H new ATOM 0 HA GLU A 29 8.747 -9.309 -5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.444 -8.458 -7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.056 -7.772 -7.829 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.893 -10.035 -9.009 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.102 -9.966 -7.743 1.00 0.00 H new ATOM 476 N LYS A 30 10.757 -8.271 -3.944 1.00 0.00 N ATOM 477 CA LYS A 30 11.996 -8.340 -3.111 1.00 0.00 C ATOM 478 C LYS A 30 11.672 -9.219 -1.900 1.00 0.00 C ATOM 479 O LYS A 30 10.850 -8.860 -1.080 1.00 0.00 O ATOM 480 CB LYS A 30 12.382 -6.933 -2.629 1.00 0.00 C ATOM 481 CG LYS A 30 12.548 -5.943 -3.803 1.00 0.00 C ATOM 482 CD LYS A 30 12.838 -4.552 -3.188 1.00 0.00 C ATOM 483 CE LYS A 30 13.003 -3.487 -4.283 1.00 0.00 C ATOM 484 NZ LYS A 30 14.208 -3.772 -5.109 1.00 0.00 N ATOM 0 H LYS A 30 9.939 -7.917 -3.448 1.00 0.00 H new ATOM 0 HA LYS A 30 12.827 -8.748 -3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.617 -6.561 -1.947 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.313 -6.986 -2.065 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.364 -6.253 -4.456 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.645 -5.914 -4.413 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.024 -4.269 -2.521 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.744 -4.600 -2.583 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.116 -3.468 -4.917 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.091 -2.500 -3.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.403 -2.961 -5.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.025 -3.935 -4.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.039 -4.619 -5.688 1.00 0.00 H new TER 498 LYS A 30 HETATM 499 ZN ZN A 31 -0.897 -3.390 1.890 1.00 0.00 ZN