USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 259 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 26 HIS HE2 : A 26 HIS NE2 : A 34 ZNZN :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 34 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.102 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00173 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.369! C(o=-0.37!,f=-3!) USER MOD Single : A 16 SER OG : rot 160:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.108 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0491 USER MOD Single : A 22 HIS :FLIP no HE2:sc= 0.395 F(o=-1.3,f=0.39) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl -174:sc= 0 (180deg=-0.0326) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.351 -1.683 -2.720 1.00 0.00 N ATOM 2 CA GLY A 1 15.012 -1.992 -1.310 1.00 0.00 C ATOM 3 C GLY A 1 14.627 -3.445 -1.125 1.00 0.00 C ATOM 4 O GLY A 1 14.748 -4.247 -2.052 1.00 0.00 O ATOM 0 H1 GLY A 1 16.301 -1.261 -2.764 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.334 -2.559 -3.281 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.656 -1.012 -3.105 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.865 -1.759 -0.673 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.189 -1.355 -0.987 1.00 0.00 H new ATOM 10 N SER A 2 14.144 -3.782 0.059 1.00 0.00 N ATOM 11 CA SER A 2 13.723 -5.145 0.353 1.00 0.00 C ATOM 12 C SER A 2 12.316 -5.156 0.943 1.00 0.00 C ATOM 13 O SER A 2 11.990 -5.984 1.796 1.00 0.00 O ATOM 14 CB SER A 2 14.703 -5.802 1.322 1.00 0.00 C ATOM 15 OG SER A 2 15.988 -5.206 1.231 1.00 0.00 O ATOM 0 H SER A 2 14.033 -3.130 0.835 1.00 0.00 H new ATOM 0 HA SER A 2 13.713 -5.711 -0.578 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.328 -5.711 2.341 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.776 -6.867 1.103 1.00 0.00 H new ATOM 0 HG SER A 2 16.597 -5.643 1.862 1.00 0.00 H new ATOM 21 N THR A 3 11.476 -4.250 0.471 1.00 0.00 N ATOM 22 CA THR A 3 10.107 -4.185 0.938 1.00 0.00 C ATOM 23 C THR A 3 9.255 -5.246 0.235 1.00 0.00 C ATOM 24 O THR A 3 9.769 -6.022 -0.575 1.00 0.00 O ATOM 25 CB THR A 3 9.514 -2.770 0.741 1.00 0.00 C ATOM 26 OG1 THR A 3 8.466 -2.544 1.688 1.00 0.00 O ATOM 27 CG2 THR A 3 8.985 -2.570 -0.670 1.00 0.00 C ATOM 0 H THR A 3 11.720 -3.553 -0.233 1.00 0.00 H new ATOM 0 HA THR A 3 10.100 -4.394 2.008 1.00 0.00 H new ATOM 0 HB THR A 3 10.317 -2.050 0.901 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.096 -1.646 1.559 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.577 -1.564 -0.766 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.797 -2.703 -1.385 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.201 -3.300 -0.872 1.00 0.00 H new ATOM 35 N GLY A 4 7.974 -5.306 0.571 1.00 0.00 N ATOM 36 CA GLY A 4 7.096 -6.298 -0.010 1.00 0.00 C ATOM 37 C GLY A 4 5.958 -5.663 -0.765 1.00 0.00 C ATOM 38 O GLY A 4 4.806 -5.723 -0.331 1.00 0.00 O ATOM 0 H GLY A 4 7.526 -4.680 1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.666 -6.939 -0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.698 -6.937 0.778 1.00 0.00 H new ATOM 42 N ILE A 5 6.288 -5.006 -1.865 1.00 0.00 N ATOM 43 CA ILE A 5 5.293 -4.317 -2.674 1.00 0.00 C ATOM 44 C ILE A 5 4.286 -5.301 -3.255 1.00 0.00 C ATOM 45 O ILE A 5 4.651 -6.292 -3.892 1.00 0.00 O ATOM 46 CB ILE A 5 5.950 -3.501 -3.814 1.00 0.00 C ATOM 47 CG1 ILE A 5 6.713 -2.304 -3.241 1.00 0.00 C ATOM 48 CG2 ILE A 5 4.909 -3.029 -4.825 1.00 0.00 C ATOM 49 CD1 ILE A 5 5.927 -1.512 -2.216 1.00 0.00 C ATOM 0 H ILE A 5 7.241 -4.935 -2.220 1.00 0.00 H new ATOM 0 HA ILE A 5 4.770 -3.623 -2.016 1.00 0.00 H new ATOM 0 HB ILE A 5 6.653 -4.153 -4.332 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.636 -2.659 -2.782 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.998 -1.641 -4.058 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.400 -2.459 -5.614 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.407 -3.893 -5.261 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.175 -2.398 -4.324 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.533 -0.681 -1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.017 -1.126 -2.675 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.665 -2.159 -1.379 1.00 0.00 H new ATOM 61 N LYS A 6 3.020 -5.022 -3.016 1.00 0.00 N ATOM 62 CA LYS A 6 1.935 -5.851 -3.505 1.00 0.00 C ATOM 63 C LYS A 6 1.261 -5.173 -4.688 1.00 0.00 C ATOM 64 O LYS A 6 1.476 -3.988 -4.930 1.00 0.00 O ATOM 65 CB LYS A 6 0.933 -6.108 -2.383 1.00 0.00 C ATOM 66 CG LYS A 6 1.251 -7.342 -1.555 1.00 0.00 C ATOM 67 CD LYS A 6 1.827 -6.979 -0.199 1.00 0.00 C ATOM 68 CE LYS A 6 1.943 -8.200 0.695 1.00 0.00 C ATOM 69 NZ LYS A 6 3.053 -8.063 1.672 1.00 0.00 N ATOM 0 H LYS A 6 2.714 -4.213 -2.476 1.00 0.00 H new ATOM 0 HA LYS A 6 2.332 -6.810 -3.838 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.904 -5.238 -1.727 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.062 -6.216 -2.814 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.344 -7.931 -1.419 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.961 -7.969 -2.095 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.810 -6.526 -0.328 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.193 -6.233 0.280 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.005 -8.350 1.229 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.106 -9.086 0.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.101 -8.916 2.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.952 -7.945 1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.885 -7.232 2.274 1.00 0.00 H new ATOM 83 N PRO A 7 0.500 -5.941 -5.481 1.00 0.00 N ATOM 84 CA PRO A 7 -0.163 -5.439 -6.690 1.00 0.00 C ATOM 85 C PRO A 7 -1.058 -4.238 -6.400 1.00 0.00 C ATOM 86 O PRO A 7 -1.262 -3.370 -7.252 1.00 0.00 O ATOM 87 CB PRO A 7 -1.001 -6.634 -7.176 1.00 0.00 C ATOM 88 CG PRO A 7 -0.976 -7.631 -6.063 1.00 0.00 C ATOM 89 CD PRO A 7 0.288 -7.381 -5.303 1.00 0.00 C ATOM 0 HA PRO A 7 0.557 -5.088 -7.429 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.022 -6.328 -7.404 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -0.584 -7.058 -8.090 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.847 -7.515 -5.418 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.001 -8.649 -6.452 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.186 -7.647 -4.251 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.119 -7.964 -5.700 1.00 0.00 H new ATOM 97 N PHE A 8 -1.518 -4.154 -5.165 1.00 0.00 N ATOM 98 CA PHE A 8 -2.317 -3.032 -4.722 1.00 0.00 C ATOM 99 C PHE A 8 -1.552 -2.257 -3.661 1.00 0.00 C ATOM 100 O PHE A 8 -1.045 -2.837 -2.699 1.00 0.00 O ATOM 101 CB PHE A 8 -3.659 -3.524 -4.187 1.00 0.00 C ATOM 102 CG PHE A 8 -4.293 -4.565 -5.064 1.00 0.00 C ATOM 103 CD1 PHE A 8 -5.112 -4.194 -6.119 1.00 0.00 C ATOM 104 CD2 PHE A 8 -4.067 -5.912 -4.836 1.00 0.00 C ATOM 105 CE1 PHE A 8 -5.695 -5.150 -6.928 1.00 0.00 C ATOM 106 CE2 PHE A 8 -4.648 -6.871 -5.641 1.00 0.00 C ATOM 107 CZ PHE A 8 -5.462 -6.490 -6.689 1.00 0.00 C ATOM 0 H PHE A 8 -1.348 -4.858 -4.447 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.516 -2.366 -5.562 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.517 -3.936 -3.188 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.338 -2.677 -4.089 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -5.296 -3.147 -6.310 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.429 -6.216 -4.019 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.332 -4.850 -7.747 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.466 -7.918 -5.451 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.916 -7.239 -7.321 1.00 0.00 H new ATOM 117 N GLN A 9 -1.311 -0.989 -3.934 1.00 0.00 N ATOM 118 CA GLN A 9 -0.434 -0.196 -3.097 1.00 0.00 C ATOM 119 C GLN A 9 -1.048 1.158 -2.754 1.00 0.00 C ATOM 120 O GLN A 9 -1.650 1.813 -3.608 1.00 0.00 O ATOM 121 CB GLN A 9 0.910 -0.020 -3.805 1.00 0.00 C ATOM 122 CG GLN A 9 1.535 1.346 -3.621 1.00 0.00 C ATOM 123 CD GLN A 9 2.854 1.288 -2.889 1.00 0.00 C ATOM 124 OE1 GLN A 9 3.801 0.649 -3.343 1.00 0.00 O ATOM 125 NE2 GLN A 9 2.926 1.963 -1.758 1.00 0.00 N ATOM 0 H GLN A 9 -1.710 -0.487 -4.728 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.285 -0.722 -2.154 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.603 -0.777 -3.437 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.773 -0.204 -4.871 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.686 1.807 -4.597 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.846 1.985 -3.070 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.114 2.479 -1.420 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.794 1.969 -1.222 1.00 0.00 H new ATOM 134 N CYS A 10 -0.819 1.604 -1.522 1.00 0.00 N ATOM 135 CA CYS A 10 -1.235 2.921 -1.093 1.00 0.00 C ATOM 136 C CYS A 10 -0.141 3.933 -1.417 1.00 0.00 C ATOM 137 O CYS A 10 0.998 3.793 -0.964 1.00 0.00 O ATOM 138 CB CYS A 10 -1.512 2.939 0.417 1.00 0.00 C ATOM 139 SG CYS A 10 -1.312 4.596 1.152 1.00 0.00 S ATOM 0 H CYS A 10 -0.342 1.061 -0.802 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.152 3.183 -1.621 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.527 2.585 0.600 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.837 2.242 0.914 1.00 0.00 H new ATOM 144 N PRO A 11 -0.465 4.974 -2.186 1.00 0.00 N ATOM 145 CA PRO A 11 0.490 6.018 -2.526 1.00 0.00 C ATOM 146 C PRO A 11 0.576 7.097 -1.447 1.00 0.00 C ATOM 147 O PRO A 11 1.145 8.169 -1.668 1.00 0.00 O ATOM 148 CB PRO A 11 -0.081 6.583 -3.817 1.00 0.00 C ATOM 149 CG PRO A 11 -1.560 6.415 -3.682 1.00 0.00 C ATOM 150 CD PRO A 11 -1.784 5.215 -2.795 1.00 0.00 C ATOM 0 HA PRO A 11 1.509 5.642 -2.621 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.189 7.631 -3.944 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.301 6.048 -4.687 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.012 7.307 -3.247 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.023 6.266 -4.658 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.543 5.413 -2.038 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.123 4.352 -3.368 1.00 0.00 H new ATOM 158 N ASP A 12 -0.028 6.828 -0.291 1.00 0.00 N ATOM 159 CA ASP A 12 -0.037 7.787 0.811 1.00 0.00 C ATOM 160 C ASP A 12 0.910 7.348 1.931 1.00 0.00 C ATOM 161 O ASP A 12 1.772 8.117 2.365 1.00 0.00 O ATOM 162 CB ASP A 12 -1.459 7.953 1.368 1.00 0.00 C ATOM 163 CG ASP A 12 -1.631 9.219 2.191 1.00 0.00 C ATOM 164 OD1 ASP A 12 -1.069 9.294 3.304 1.00 0.00 O ATOM 165 OD2 ASP A 12 -2.352 10.136 1.741 1.00 0.00 O ATOM 0 H ASP A 12 -0.517 5.955 -0.094 1.00 0.00 H new ATOM 0 HA ASP A 12 0.308 8.745 0.421 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.168 7.965 0.540 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.705 7.089 1.985 1.00 0.00 H new ATOM 170 N CYS A 13 0.751 6.112 2.399 1.00 0.00 N ATOM 171 CA CYS A 13 1.570 5.591 3.493 1.00 0.00 C ATOM 172 C CYS A 13 2.588 4.571 3.003 1.00 0.00 C ATOM 173 O CYS A 13 3.324 3.995 3.809 1.00 0.00 O ATOM 174 CB CYS A 13 0.700 4.927 4.556 1.00 0.00 C ATOM 175 SG CYS A 13 -0.941 5.670 4.787 1.00 0.00 S ATOM 0 H CYS A 13 0.062 5.452 2.038 1.00 0.00 H new ATOM 0 HA CYS A 13 2.096 6.445 3.919 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.572 3.877 4.294 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.231 4.956 5.507 1.00 0.00 H new ATOM 180 N ASP A 14 2.551 4.278 1.710 1.00 0.00 N ATOM 181 CA ASP A 14 3.407 3.246 1.123 1.00 0.00 C ATOM 182 C ASP A 14 2.968 1.865 1.597 1.00 0.00 C ATOM 183 O ASP A 14 3.774 0.941 1.712 1.00 0.00 O ATOM 184 CB ASP A 14 4.885 3.488 1.468 1.00 0.00 C ATOM 185 CG ASP A 14 5.832 3.032 0.378 1.00 0.00 C ATOM 186 OD1 ASP A 14 5.363 2.681 -0.722 1.00 0.00 O ATOM 187 OD2 ASP A 14 7.059 3.044 0.615 1.00 0.00 O ATOM 0 H ASP A 14 1.935 4.741 1.042 1.00 0.00 H new ATOM 0 HA ASP A 14 3.304 3.296 0.039 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.039 4.551 1.654 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.126 2.965 2.393 1.00 0.00 H new ATOM 192 N TRP A 15 1.670 1.726 1.847 1.00 0.00 N ATOM 193 CA TRP A 15 1.100 0.458 2.273 1.00 0.00 C ATOM 194 C TRP A 15 0.925 -0.462 1.071 1.00 0.00 C ATOM 195 O TRP A 15 0.767 0.007 -0.055 1.00 0.00 O ATOM 196 CB TRP A 15 -0.257 0.686 2.945 1.00 0.00 C ATOM 197 CG TRP A 15 -0.215 0.686 4.441 1.00 0.00 C ATOM 198 CD1 TRP A 15 -0.133 1.777 5.258 1.00 0.00 C ATOM 199 CD2 TRP A 15 -0.286 -0.455 5.304 1.00 0.00 C ATOM 200 NE1 TRP A 15 -0.135 1.383 6.573 1.00 0.00 N ATOM 201 CE2 TRP A 15 -0.229 0.019 6.628 1.00 0.00 C ATOM 202 CE3 TRP A 15 -0.387 -1.832 5.086 1.00 0.00 C ATOM 203 CZ2 TRP A 15 -0.273 -0.833 7.726 1.00 0.00 C ATOM 204 CZ3 TRP A 15 -0.432 -2.675 6.178 1.00 0.00 C ATOM 205 CH2 TRP A 15 -0.375 -2.173 7.484 1.00 0.00 C ATOM 0 H TRP A 15 0.991 2.483 1.760 1.00 0.00 H new ATOM 0 HA TRP A 15 1.778 -0.007 2.989 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -0.661 1.640 2.605 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -0.948 -0.089 2.613 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -0.075 2.801 4.919 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -0.076 2.006 7.378 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -0.429 -2.229 4.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -0.228 -0.449 8.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.513 -3.741 6.022 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.412 -2.860 8.317 1.00 0.00 H new ATOM 216 N SER A 16 0.983 -1.762 1.295 1.00 0.00 N ATOM 217 CA SER A 16 0.836 -2.721 0.209 1.00 0.00 C ATOM 218 C SER A 16 -0.131 -3.835 0.597 1.00 0.00 C ATOM 219 O SER A 16 -0.102 -4.333 1.724 1.00 0.00 O ATOM 220 CB SER A 16 2.200 -3.293 -0.170 1.00 0.00 C ATOM 221 OG SER A 16 3.210 -2.306 -0.064 1.00 0.00 O ATOM 0 H SER A 16 1.130 -2.179 2.214 1.00 0.00 H new ATOM 0 HA SER A 16 0.421 -2.206 -0.658 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.439 -4.135 0.480 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.167 -3.677 -1.190 1.00 0.00 H new ATOM 0 HG SER A 16 4.086 -2.740 0.007 1.00 0.00 H new ATOM 227 N PHE A 17 -1.035 -4.166 -0.318 1.00 0.00 N ATOM 228 CA PHE A 17 -2.069 -5.159 -0.064 1.00 0.00 C ATOM 229 C PHE A 17 -2.178 -6.120 -1.237 1.00 0.00 C ATOM 230 O PHE A 17 -2.124 -5.705 -2.393 1.00 0.00 O ATOM 231 CB PHE A 17 -3.421 -4.476 0.156 1.00 0.00 C ATOM 232 CG PHE A 17 -3.411 -3.469 1.268 1.00 0.00 C ATOM 233 CD1 PHE A 17 -3.068 -2.149 1.022 1.00 0.00 C ATOM 234 CD2 PHE A 17 -3.734 -3.850 2.558 1.00 0.00 C ATOM 235 CE1 PHE A 17 -3.047 -1.225 2.046 1.00 0.00 C ATOM 236 CE2 PHE A 17 -3.717 -2.929 3.586 1.00 0.00 C ATOM 237 CZ PHE A 17 -3.371 -1.616 3.331 1.00 0.00 C ATOM 0 H PHE A 17 -1.071 -3.756 -1.251 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.795 -5.714 0.833 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.724 -3.982 -0.767 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.172 -5.236 0.372 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.815 -1.841 0.018 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.002 -4.876 2.762 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.778 -0.199 1.844 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.974 -3.235 4.589 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.354 -0.896 4.136 1.00 0.00 H new ATOM 247 N SER A 18 -2.363 -7.398 -0.941 1.00 0.00 N ATOM 248 CA SER A 18 -2.528 -8.401 -1.983 1.00 0.00 C ATOM 249 C SER A 18 -3.977 -8.431 -2.459 1.00 0.00 C ATOM 250 O SER A 18 -4.300 -9.043 -3.480 1.00 0.00 O ATOM 251 CB SER A 18 -2.122 -9.782 -1.468 1.00 0.00 C ATOM 252 OG SER A 18 -1.103 -9.690 -0.483 1.00 0.00 O ATOM 0 H SER A 18 -2.403 -7.765 0.010 1.00 0.00 H new ATOM 0 HA SER A 18 -1.882 -8.136 -2.820 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.992 -10.285 -1.047 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.772 -10.393 -2.300 1.00 0.00 H new ATOM 0 HG SER A 18 -0.866 -10.589 -0.172 1.00 0.00 H new ATOM 258 N ARG A 19 -4.845 -7.758 -1.716 1.00 0.00 N ATOM 259 CA ARG A 19 -6.252 -7.676 -2.064 1.00 0.00 C ATOM 260 C ARG A 19 -6.643 -6.264 -2.386 1.00 0.00 C ATOM 261 O ARG A 19 -6.422 -5.333 -1.611 1.00 0.00 O ATOM 262 CB ARG A 19 -7.133 -8.205 -0.934 1.00 0.00 C ATOM 263 CG ARG A 19 -7.729 -9.573 -1.207 1.00 0.00 C ATOM 264 CD ARG A 19 -8.432 -10.121 0.023 1.00 0.00 C ATOM 265 NE ARG A 19 -9.756 -9.526 0.218 1.00 0.00 N ATOM 266 CZ ARG A 19 -10.900 -10.167 -0.007 1.00 0.00 C ATOM 267 NH1 ARG A 19 -10.892 -11.403 -0.485 1.00 0.00 N ATOM 268 NH2 ARG A 19 -12.051 -9.563 0.241 1.00 0.00 N ATOM 0 H ARG A 19 -4.594 -7.258 -0.863 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.404 -8.297 -2.947 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.543 -8.253 -0.019 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.942 -7.496 -0.755 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.436 -9.506 -2.034 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.942 -10.261 -1.516 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.532 -11.202 -0.070 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.818 -9.933 0.904 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.804 -8.561 0.546 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.006 -11.868 -0.682 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.772 -11.890 -0.656 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.059 -8.610 0.603 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.930 -10.051 0.070 1.00 0.00 H new ATOM 282 N SER A 20 -7.297 -6.150 -3.512 1.00 0.00 N ATOM 283 CA SER A 20 -7.827 -4.910 -3.992 1.00 0.00 C ATOM 284 C SER A 20 -8.850 -4.349 -3.010 1.00 0.00 C ATOM 285 O SER A 20 -8.944 -3.140 -2.802 1.00 0.00 O ATOM 286 CB SER A 20 -8.468 -5.211 -5.330 1.00 0.00 C ATOM 287 OG SER A 20 -9.244 -6.396 -5.260 1.00 0.00 O ATOM 0 H SER A 20 -7.478 -6.939 -4.133 1.00 0.00 H new ATOM 0 HA SER A 20 -7.045 -4.157 -4.095 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.099 -4.375 -5.633 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.696 -5.320 -6.092 1.00 0.00 H new ATOM 0 HG SER A 20 -9.651 -6.572 -6.134 1.00 0.00 H new ATOM 293 N ASP A 21 -9.578 -5.260 -2.381 1.00 0.00 N ATOM 294 CA ASP A 21 -10.603 -4.908 -1.410 1.00 0.00 C ATOM 295 C ASP A 21 -9.971 -4.443 -0.098 1.00 0.00 C ATOM 296 O ASP A 21 -10.497 -3.557 0.576 1.00 0.00 O ATOM 297 CB ASP A 21 -11.522 -6.120 -1.195 1.00 0.00 C ATOM 298 CG ASP A 21 -11.894 -6.362 0.250 1.00 0.00 C ATOM 299 OD1 ASP A 21 -11.120 -7.044 0.956 1.00 0.00 O ATOM 300 OD2 ASP A 21 -12.981 -5.924 0.672 1.00 0.00 O ATOM 0 H ASP A 21 -9.475 -6.264 -2.530 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.197 -4.077 -1.789 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.434 -5.979 -1.775 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.030 -7.010 -1.587 1.00 0.00 H new ATOM 305 N HIS A 22 -8.784 -4.961 0.200 1.00 0.00 N ATOM 306 CA HIS A 22 -8.052 -4.550 1.395 1.00 0.00 C ATOM 307 C HIS A 22 -7.445 -3.172 1.201 1.00 0.00 C ATOM 308 O HIS A 22 -7.488 -2.337 2.101 1.00 0.00 O ATOM 309 CB HIS A 22 -6.950 -5.550 1.735 1.00 0.00 C ATOM 310 CG HIS A 22 -7.406 -6.669 2.617 1.00 0.00 C ATOM 311 ND1 HIS A 22 -8.588 -7.329 2.669 1.00 0.00 N flip ATOM 312 CD2 HIS A 22 -6.611 -7.238 3.588 1.00 0.00 C flip ATOM 313 CE1 HIS A 22 -8.488 -8.272 3.658 1.00 0.00 C flip ATOM 314 NE2 HIS A 22 -7.285 -8.194 4.197 1.00 0.00 N flip ATOM 0 H HIS A 22 -8.309 -5.664 -0.366 1.00 0.00 H new ATOM 0 HA HIS A 22 -8.761 -4.517 2.222 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -6.552 -5.967 0.810 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.132 -5.023 2.225 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -9.403 -7.156 2.080 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.596 -6.947 3.815 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.264 -8.964 3.949 1.00 0.00 H new ATOM 323 N LEU A 23 -6.917 -2.926 0.006 1.00 0.00 N ATOM 324 CA LEU A 23 -6.372 -1.619 -0.326 1.00 0.00 C ATOM 325 C LEU A 23 -7.481 -0.580 -0.307 1.00 0.00 C ATOM 326 O LEU A 23 -7.329 0.489 0.278 1.00 0.00 O ATOM 327 CB LEU A 23 -5.706 -1.633 -1.702 1.00 0.00 C ATOM 328 CG LEU A 23 -5.181 -0.272 -2.166 1.00 0.00 C ATOM 329 CD1 LEU A 23 -3.939 0.106 -1.382 1.00 0.00 C ATOM 330 CD2 LEU A 23 -4.895 -0.282 -3.660 1.00 0.00 C ATOM 0 H LEU A 23 -6.856 -3.614 -0.745 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.617 -1.366 0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.877 -2.341 -1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.424 -2.001 -2.435 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.950 0.477 -1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.576 1.076 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.181 0.161 -0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.166 -0.646 -1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.523 0.696 -3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.145 -1.041 -3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.812 -0.508 -4.204 1.00 0.00 H new ATOM 342 N ALA A 24 -8.617 -0.935 -0.896 1.00 0.00 N ATOM 343 CA ALA A 24 -9.780 -0.061 -0.909 1.00 0.00 C ATOM 344 C ALA A 24 -10.229 0.258 0.511 1.00 0.00 C ATOM 345 O ALA A 24 -10.601 1.390 0.809 1.00 0.00 O ATOM 346 CB ALA A 24 -10.917 -0.698 -1.692 1.00 0.00 C ATOM 0 H ALA A 24 -8.756 -1.826 -1.372 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.500 0.871 -1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.778 -0.030 -1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.597 -0.876 -2.719 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.192 -1.645 -1.228 1.00 0.00 H new ATOM 352 N LEU A 25 -10.144 -0.737 1.390 1.00 0.00 N ATOM 353 CA LEU A 25 -10.516 -0.565 2.791 1.00 0.00 C ATOM 354 C LEU A 25 -9.547 0.373 3.510 1.00 0.00 C ATOM 355 O LEU A 25 -9.923 1.057 4.459 1.00 0.00 O ATOM 356 CB LEU A 25 -10.543 -1.920 3.500 1.00 0.00 C ATOM 357 CG LEU A 25 -11.930 -2.400 3.924 1.00 0.00 C ATOM 358 CD1 LEU A 25 -12.051 -3.902 3.737 1.00 0.00 C ATOM 359 CD2 LEU A 25 -12.206 -2.015 5.369 1.00 0.00 C ATOM 0 H LEU A 25 -9.819 -1.675 1.155 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.511 -0.120 2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.103 -2.667 2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.909 -1.863 4.385 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.674 -1.915 3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -13.045 -4.228 4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.895 -4.152 2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.300 -4.406 4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.198 -2.364 5.655 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -11.459 -2.473 6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.159 -0.931 5.472 1.00 0.00 H new ATOM 371 N HIS A 26 -8.296 0.379 3.070 1.00 0.00 N ATOM 372 CA HIS A 26 -7.272 1.211 3.695 1.00 0.00 C ATOM 373 C HIS A 26 -7.283 2.625 3.112 1.00 0.00 C ATOM 374 O HIS A 26 -6.887 3.586 3.773 1.00 0.00 O ATOM 375 CB HIS A 26 -5.885 0.573 3.521 1.00 0.00 C ATOM 376 CG HIS A 26 -4.753 1.503 3.845 1.00 0.00 C ATOM 377 ND1 HIS A 26 -4.400 1.856 5.120 1.00 0.00 N ATOM 378 CD2 HIS A 26 -3.956 2.224 3.019 1.00 0.00 C ATOM 379 CE1 HIS A 26 -3.432 2.776 5.034 1.00 0.00 C ATOM 380 NE2 HIS A 26 -3.124 3.045 3.776 1.00 0.00 N ATOM 0 H HIS A 26 -7.964 -0.181 2.285 1.00 0.00 H new ATOM 0 HA HIS A 26 -7.496 1.281 4.759 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -5.816 -0.307 4.160 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -5.779 0.229 2.492 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -4.802 1.485 5.981 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -3.965 2.170 1.940 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.960 3.242 5.887 1.00 0.00 H new ATOM 388 N ARG A 27 -7.678 2.751 1.859 1.00 0.00 N ATOM 389 CA ARG A 27 -7.668 4.047 1.204 1.00 0.00 C ATOM 390 C ARG A 27 -9.015 4.745 1.348 1.00 0.00 C ATOM 391 O ARG A 27 -9.233 5.799 0.762 1.00 0.00 O ATOM 392 CB ARG A 27 -7.277 3.915 -0.273 1.00 0.00 C ATOM 393 CG ARG A 27 -5.940 3.211 -0.477 1.00 0.00 C ATOM 394 CD ARG A 27 -5.029 3.943 -1.458 1.00 0.00 C ATOM 395 NE ARG A 27 -5.281 5.391 -1.510 1.00 0.00 N ATOM 396 CZ ARG A 27 -5.294 6.108 -2.639 1.00 0.00 C ATOM 397 NH1 ARG A 27 -5.210 5.503 -3.817 1.00 0.00 N ATOM 398 NH2 ARG A 27 -5.405 7.432 -2.589 1.00 0.00 N ATOM 0 H ARG A 27 -8.007 1.980 1.278 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.916 4.663 1.698 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.055 3.364 -0.801 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.230 4.908 -0.720 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.433 3.119 0.483 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.119 2.199 -0.841 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.990 3.771 -1.177 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.164 3.521 -2.454 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.457 5.878 -0.631 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.135 4.487 -3.864 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.220 6.054 -4.675 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.481 7.904 -1.688 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.415 7.976 -3.452 1.00 0.00 H new ATOM 412 N LYS A 28 -9.864 4.216 2.228 1.00 0.00 N ATOM 413 CA LYS A 28 -11.145 4.844 2.541 1.00 0.00 C ATOM 414 C LYS A 28 -10.918 6.198 3.192 1.00 0.00 C ATOM 415 O LYS A 28 -11.517 7.201 2.803 1.00 0.00 O ATOM 416 CB LYS A 28 -11.959 3.967 3.493 1.00 0.00 C ATOM 417 CG LYS A 28 -12.409 2.656 2.886 1.00 0.00 C ATOM 418 CD LYS A 28 -13.529 2.031 3.695 1.00 0.00 C ATOM 419 CE LYS A 28 -14.142 0.844 2.976 1.00 0.00 C ATOM 420 NZ LYS A 28 -15.376 0.369 3.653 1.00 0.00 N ATOM 0 H LYS A 28 -9.686 3.351 2.738 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.696 4.969 1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.361 3.759 4.380 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.836 4.523 3.823 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.746 2.823 1.863 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.566 1.967 2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.144 1.711 4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.299 2.778 3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.375 1.122 1.948 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.416 0.032 2.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.767 -0.443 3.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.149 0.080 4.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.078 1.136 3.674 1.00 0.00 H new ATOM 434 N ARG A 29 -10.011 6.223 4.155 1.00 0.00 N ATOM 435 CA ARG A 29 -9.662 7.445 4.850 1.00 0.00 C ATOM 436 C ARG A 29 -8.919 8.397 3.916 1.00 0.00 C ATOM 437 O ARG A 29 -8.927 9.610 4.107 1.00 0.00 O ATOM 438 CB ARG A 29 -8.806 7.121 6.077 1.00 0.00 C ATOM 439 CG ARG A 29 -7.475 6.465 5.738 1.00 0.00 C ATOM 440 CD ARG A 29 -6.382 6.868 6.711 1.00 0.00 C ATOM 441 NE ARG A 29 -6.204 8.319 6.762 1.00 0.00 N ATOM 442 CZ ARG A 29 -5.203 8.930 7.388 1.00 0.00 C ATOM 443 NH1 ARG A 29 -4.272 8.229 8.020 1.00 0.00 N ATOM 444 NH2 ARG A 29 -5.138 10.251 7.372 1.00 0.00 N ATOM 0 H ARG A 29 -9.500 5.400 4.474 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.578 7.936 5.180 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -8.617 8.041 6.631 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.368 6.461 6.738 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.591 5.381 5.750 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.181 6.743 4.726 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.627 6.497 7.706 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.444 6.397 6.418 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.894 8.900 6.286 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.319 7.210 8.029 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.508 8.709 8.497 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.852 10.791 6.883 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.374 10.730 7.849 1.00 0.00 H new ATOM 458 N HIS A 30 -8.347 7.831 2.862 1.00 0.00 N ATOM 459 CA HIS A 30 -7.642 8.611 1.853 1.00 0.00 C ATOM 460 C HIS A 30 -8.626 9.173 0.835 1.00 0.00 C ATOM 461 O HIS A 30 -8.291 10.044 0.032 1.00 0.00 O ATOM 462 CB HIS A 30 -6.604 7.742 1.145 1.00 0.00 C ATOM 463 CG HIS A 30 -5.556 7.174 2.054 1.00 0.00 C ATOM 464 ND1 HIS A 30 -5.116 7.783 3.203 1.00 0.00 N ATOM 465 CD2 HIS A 30 -4.855 6.015 1.956 1.00 0.00 C ATOM 466 CE1 HIS A 30 -4.188 6.994 3.757 1.00 0.00 C ATOM 467 NE2 HIS A 30 -3.987 5.906 3.041 1.00 0.00 N ATOM 0 H HIS A 30 -8.358 6.827 2.683 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.135 9.439 2.348 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.116 6.922 0.641 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -6.116 8.336 0.372 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -5.439 8.678 3.569 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -4.955 5.291 1.161 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -3.668 7.221 4.676 1.00 0.00 H new ATOM 475 N MET A 31 -9.844 8.656 0.874 1.00 0.00 N ATOM 476 CA MET A 31 -10.900 9.097 -0.025 1.00 0.00 C ATOM 477 C MET A 31 -11.729 10.186 0.636 1.00 0.00 C ATOM 478 O MET A 31 -12.702 10.680 0.063 1.00 0.00 O ATOM 479 CB MET A 31 -11.799 7.922 -0.405 1.00 0.00 C ATOM 480 CG MET A 31 -11.184 6.996 -1.438 1.00 0.00 C ATOM 481 SD MET A 31 -12.301 5.669 -1.934 1.00 0.00 S ATOM 482 CE MET A 31 -11.285 4.230 -1.602 1.00 0.00 C ATOM 0 H MET A 31 -10.128 7.924 1.525 1.00 0.00 H new ATOM 0 HA MET A 31 -10.441 9.497 -0.929 1.00 0.00 H new ATOM 0 HB2 MET A 31 -12.032 7.348 0.492 1.00 0.00 H new ATOM 0 HB3 MET A 31 -12.743 8.307 -0.791 1.00 0.00 H new ATOM 0 HG2 MET A 31 -10.901 7.575 -2.317 1.00 0.00 H new ATOM 0 HG3 MET A 31 -10.269 6.563 -1.033 1.00 0.00 H new ATOM 0 HE1 MET A 31 -11.795 3.335 -1.957 1.00 0.00 H new ATOM 0 HE2 MET A 31 -10.330 4.332 -2.118 1.00 0.00 H new ATOM 0 HE3 MET A 31 -11.111 4.147 -0.529 1.00 0.00 H new ATOM 492 N LEU A 32 -11.341 10.544 1.851 1.00 0.00 N ATOM 493 CA LEU A 32 -12.037 11.568 2.618 1.00 0.00 C ATOM 494 C LEU A 32 -11.676 12.964 2.115 1.00 0.00 C ATOM 495 O LEU A 32 -10.978 13.723 2.790 1.00 0.00 O ATOM 496 CB LEU A 32 -11.694 11.441 4.105 1.00 0.00 C ATOM 497 CG LEU A 32 -12.763 10.767 4.964 1.00 0.00 C ATOM 498 CD1 LEU A 32 -12.119 9.902 6.037 1.00 0.00 C ATOM 499 CD2 LEU A 32 -13.671 11.809 5.596 1.00 0.00 C ATOM 0 H LEU A 32 -10.539 10.136 2.332 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.109 11.422 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.766 10.878 4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.505 12.437 4.504 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.367 10.126 4.322 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.896 9.430 6.639 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.508 9.133 5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.491 10.523 6.677 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.427 11.312 6.204 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.079 12.474 6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.159 12.389 4.813 1.00 0.00 H new ATOM 511 N VAL A 33 -12.132 13.286 0.916 1.00 0.00 N ATOM 512 CA VAL A 33 -11.859 14.578 0.314 1.00 0.00 C ATOM 513 C VAL A 33 -12.930 15.578 0.718 1.00 0.00 C ATOM 514 O VAL A 33 -14.091 15.403 0.296 1.00 0.00 O ATOM 515 CB VAL A 33 -11.798 14.485 -1.226 1.00 0.00 C ATOM 516 CG1 VAL A 33 -11.239 15.768 -1.819 1.00 0.00 C ATOM 517 CG2 VAL A 33 -10.965 13.291 -1.658 1.00 0.00 C ATOM 518 OXT VAL A 33 -12.618 16.515 1.482 1.00 0.00 O ATOM 0 H VAL A 33 -12.697 12.664 0.338 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.886 14.912 0.675 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.813 14.348 -1.600 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.204 15.682 -2.905 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.879 16.606 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.233 15.938 -1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.935 13.243 -2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.951 13.395 -1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.410 12.376 -1.267 1.00 0.00 H new TER 528 VAL A 33 HETATM 529 ZN ZN A 34 -2.375 4.770 3.204 1.00 0.00 ZN