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+ -132:sc= 0.0357 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0608 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.024 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0.847 K(o=0.85,f=-0.27) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0115 USER MOD Single : A 20 SER OG : rot -103:sc= 0.113 USER MOD Single : A 22 HIS :FLIP no HE2:sc= 0.488 F(o=-1.6!,f=0.49) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl -145:sc= -2.07! (180deg=-4.83!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.204 -3.903 -0.283 1.00 0.00 N ATOM 2 CA GLY A 1 16.813 -4.568 -1.549 1.00 0.00 C ATOM 3 C GLY A 1 15.443 -4.135 -2.016 1.00 0.00 C ATOM 4 O GLY A 1 15.018 -3.011 -1.744 1.00 0.00 O ATOM 0 H1 GLY A 1 18.168 -3.524 -0.373 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.544 -3.125 -0.081 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.174 -4.593 0.495 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.548 -4.339 -2.321 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.823 -5.649 -1.409 1.00 0.00 H new ATOM 10 N SER A 2 14.737 -5.031 -2.689 1.00 0.00 N ATOM 11 CA SER A 2 13.396 -4.748 -3.171 1.00 0.00 C ATOM 12 C SER A 2 12.411 -4.662 -2.009 1.00 0.00 C ATOM 13 O SER A 2 12.581 -5.331 -0.989 1.00 0.00 O ATOM 14 CB SER A 2 12.965 -5.836 -4.151 1.00 0.00 C ATOM 15 OG SER A 2 14.097 -6.450 -4.747 1.00 0.00 O ATOM 0 H SER A 2 15.075 -5.967 -2.914 1.00 0.00 H new ATOM 0 HA SER A 2 13.402 -3.785 -3.682 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.370 -6.586 -3.631 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.329 -5.405 -4.924 1.00 0.00 H new ATOM 0 HG SER A 2 13.801 -7.146 -5.371 1.00 0.00 H new ATOM 21 N THR A 3 11.395 -3.831 -2.163 1.00 0.00 N ATOM 22 CA THR A 3 10.385 -3.656 -1.131 1.00 0.00 C ATOM 23 C THR A 3 9.318 -4.742 -1.235 1.00 0.00 C ATOM 24 O THR A 3 9.256 -5.469 -2.231 1.00 0.00 O ATOM 25 CB THR A 3 9.731 -2.266 -1.249 1.00 0.00 C ATOM 26 OG1 THR A 3 10.539 -1.424 -2.084 1.00 0.00 O ATOM 27 CG2 THR A 3 9.572 -1.620 0.119 1.00 0.00 C ATOM 0 H THR A 3 11.246 -3.263 -2.997 1.00 0.00 H new ATOM 0 HA THR A 3 10.873 -3.736 -0.160 1.00 0.00 H new ATOM 0 HB THR A 3 8.742 -2.388 -1.690 1.00 0.00 H new ATOM 0 HG1 THR A 3 10.121 -0.541 -2.160 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.108 -0.640 0.007 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.943 -2.250 0.748 1.00 0.00 H new ATOM 0 HG23 THR A 3 10.551 -1.507 0.584 1.00 0.00 H new ATOM 35 N GLY A 4 8.451 -4.818 -0.233 1.00 0.00 N ATOM 36 CA GLY A 4 7.370 -5.783 -0.255 1.00 0.00 C ATOM 37 C GLY A 4 6.156 -5.240 -0.976 1.00 0.00 C ATOM 38 O GLY A 4 5.060 -5.185 -0.418 1.00 0.00 O ATOM 0 H GLY A 4 8.478 -4.226 0.597 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.707 -6.697 -0.745 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.099 -6.050 0.766 1.00 0.00 H new ATOM 42 N ILE A 5 6.379 -4.762 -2.191 1.00 0.00 N ATOM 43 CA ILE A 5 5.334 -4.135 -2.983 1.00 0.00 C ATOM 44 C ILE A 5 4.311 -5.160 -3.458 1.00 0.00 C ATOM 45 O ILE A 5 4.640 -6.101 -4.181 1.00 0.00 O ATOM 46 CB ILE A 5 5.928 -3.400 -4.205 1.00 0.00 C ATOM 47 CG1 ILE A 5 6.938 -2.337 -3.753 1.00 0.00 C ATOM 48 CG2 ILE A 5 4.824 -2.767 -5.043 1.00 0.00 C ATOM 49 CD1 ILE A 5 6.358 -1.306 -2.808 1.00 0.00 C ATOM 0 H ILE A 5 7.287 -4.798 -2.654 1.00 0.00 H new ATOM 0 HA ILE A 5 4.835 -3.410 -2.339 1.00 0.00 H new ATOM 0 HB ILE A 5 6.449 -4.131 -4.824 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.778 -2.831 -3.265 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.334 -1.828 -4.632 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.265 -2.255 -5.898 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.144 -3.543 -5.395 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.272 -2.050 -4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.131 -0.589 -2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.537 -0.784 -3.299 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.988 -1.802 -1.911 1.00 0.00 H new ATOM 61 N LYS A 6 3.065 -4.932 -3.090 1.00 0.00 N ATOM 62 CA LYS A 6 1.963 -5.766 -3.535 1.00 0.00 C ATOM 63 C LYS A 6 1.218 -5.053 -4.649 1.00 0.00 C ATOM 64 O LYS A 6 1.400 -3.851 -4.846 1.00 0.00 O ATOM 65 CB LYS A 6 1.037 -6.080 -2.361 1.00 0.00 C ATOM 66 CG LYS A 6 1.537 -7.222 -1.492 1.00 0.00 C ATOM 67 CD LYS A 6 1.117 -7.048 -0.043 1.00 0.00 C ATOM 68 CE LYS A 6 1.538 -8.233 0.807 1.00 0.00 C ATOM 69 NZ LYS A 6 1.789 -7.838 2.218 1.00 0.00 N ATOM 0 H LYS A 6 2.788 -4.166 -2.476 1.00 0.00 H new ATOM 0 HA LYS A 6 2.344 -6.712 -3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.925 -5.187 -1.746 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.048 -6.330 -2.744 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.149 -8.167 -1.873 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.624 -7.277 -1.552 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.560 -6.136 0.358 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.035 -6.927 0.011 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.761 -8.997 0.776 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.440 -8.679 0.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.074 -8.674 2.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.548 -7.127 2.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.921 -7.436 2.626 1.00 0.00 H new ATOM 83 N PRO A 7 0.452 -5.803 -5.454 1.00 0.00 N ATOM 84 CA PRO A 7 -0.246 -5.266 -6.627 1.00 0.00 C ATOM 85 C PRO A 7 -1.151 -4.092 -6.275 1.00 0.00 C ATOM 86 O PRO A 7 -1.425 -3.229 -7.109 1.00 0.00 O ATOM 87 CB PRO A 7 -1.079 -6.449 -7.142 1.00 0.00 C ATOM 88 CG PRO A 7 -0.990 -7.502 -6.085 1.00 0.00 C ATOM 89 CD PRO A 7 0.286 -7.254 -5.345 1.00 0.00 C ATOM 0 HA PRO A 7 0.455 -4.878 -7.365 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.114 -6.153 -7.313 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -0.691 -6.816 -8.092 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.846 -7.449 -5.412 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.994 -8.498 -6.528 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.219 -7.576 -4.306 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.123 -7.791 -5.792 1.00 0.00 H new ATOM 97 N PHE A 8 -1.564 -4.037 -5.020 1.00 0.00 N ATOM 98 CA PHE A 8 -2.398 -2.956 -4.536 1.00 0.00 C ATOM 99 C PHE A 8 -1.669 -2.196 -3.441 1.00 0.00 C ATOM 100 O PHE A 8 -1.513 -2.688 -2.329 1.00 0.00 O ATOM 101 CB PHE A 8 -3.716 -3.513 -4.014 1.00 0.00 C ATOM 102 CG PHE A 8 -4.359 -4.483 -4.958 1.00 0.00 C ATOM 103 CD1 PHE A 8 -5.215 -4.036 -5.948 1.00 0.00 C ATOM 104 CD2 PHE A 8 -4.107 -5.840 -4.855 1.00 0.00 C ATOM 105 CE1 PHE A 8 -5.807 -4.925 -6.822 1.00 0.00 C ATOM 106 CE2 PHE A 8 -4.699 -6.733 -5.724 1.00 0.00 C ATOM 107 CZ PHE A 8 -5.551 -6.276 -6.707 1.00 0.00 C ATOM 0 H PHE A 8 -1.331 -4.736 -4.314 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.612 -2.269 -5.355 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.542 -4.007 -3.058 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.403 -2.688 -3.826 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -5.422 -2.980 -6.038 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.440 -6.203 -4.087 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.470 -4.564 -7.595 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.495 -7.790 -5.634 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.017 -6.974 -7.386 1.00 0.00 H new ATOM 117 N GLN A 9 -1.110 -1.059 -3.798 1.00 0.00 N ATOM 118 CA GLN A 9 -0.291 -0.302 -2.874 1.00 0.00 C ATOM 119 C GLN A 9 -0.860 1.098 -2.658 1.00 0.00 C ATOM 120 O GLN A 9 -1.359 1.731 -3.592 1.00 0.00 O ATOM 121 CB GLN A 9 1.148 -0.252 -3.389 1.00 0.00 C ATOM 122 CG GLN A 9 1.758 1.131 -3.389 1.00 0.00 C ATOM 123 CD GLN A 9 3.080 1.181 -2.660 1.00 0.00 C ATOM 124 OE1 GLN A 9 4.131 1.380 -3.266 1.00 0.00 O ATOM 125 NE2 GLN A 9 3.036 0.992 -1.354 1.00 0.00 N ATOM 0 H GLN A 9 -1.208 -0.638 -4.722 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.294 -0.799 -1.904 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.765 -0.909 -2.776 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.173 -0.648 -4.404 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.902 1.461 -4.418 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.064 1.831 -2.924 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.141 0.830 -0.892 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.897 1.008 -0.807 1.00 0.00 H new ATOM 134 N CYS A 10 -0.747 1.584 -1.428 1.00 0.00 N ATOM 135 CA CYS A 10 -1.178 2.925 -1.097 1.00 0.00 C ATOM 136 C CYS A 10 -0.093 3.920 -1.500 1.00 0.00 C ATOM 137 O CYS A 10 1.072 3.769 -1.118 1.00 0.00 O ATOM 138 CB CYS A 10 -1.471 3.057 0.406 1.00 0.00 C ATOM 139 SG CYS A 10 -1.456 4.789 0.984 1.00 0.00 S ATOM 0 H CYS A 10 -0.357 1.061 -0.643 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.098 3.137 -1.642 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.444 2.616 0.621 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.731 2.486 0.967 1.00 0.00 H new ATOM 144 N PRO A 11 -0.457 4.948 -2.273 1.00 0.00 N ATOM 145 CA PRO A 11 0.479 5.978 -2.707 1.00 0.00 C ATOM 146 C PRO A 11 0.693 7.049 -1.640 1.00 0.00 C ATOM 147 O PRO A 11 1.297 8.090 -1.901 1.00 0.00 O ATOM 148 CB PRO A 11 -0.214 6.564 -3.931 1.00 0.00 C ATOM 149 CG PRO A 11 -1.668 6.429 -3.636 1.00 0.00 C ATOM 150 CD PRO A 11 -1.817 5.187 -2.792 1.00 0.00 C ATOM 0 HA PRO A 11 1.475 5.583 -2.908 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.065 7.607 -4.084 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.059 6.025 -4.838 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.040 7.306 -3.106 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.245 6.345 -4.557 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.533 5.336 -1.984 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.174 4.343 -3.382 1.00 0.00 H new ATOM 158 N ASP A 12 0.143 6.814 -0.456 1.00 0.00 N ATOM 159 CA ASP A 12 0.221 7.786 0.627 1.00 0.00 C ATOM 160 C ASP A 12 1.115 7.289 1.761 1.00 0.00 C ATOM 161 O ASP A 12 2.023 7.996 2.196 1.00 0.00 O ATOM 162 CB ASP A 12 -1.178 8.089 1.167 1.00 0.00 C ATOM 163 CG ASP A 12 -1.317 9.513 1.660 1.00 0.00 C ATOM 164 OD1 ASP A 12 -0.920 9.795 2.807 1.00 0.00 O ATOM 165 OD2 ASP A 12 -1.845 10.358 0.904 1.00 0.00 O ATOM 0 H ASP A 12 -0.362 5.959 -0.221 1.00 0.00 H new ATOM 0 HA ASP A 12 0.660 8.698 0.222 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.913 7.907 0.383 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.405 7.402 1.983 1.00 0.00 H new ATOM 170 N CYS A 13 0.826 6.094 2.270 1.00 0.00 N ATOM 171 CA CYS A 13 1.562 5.547 3.409 1.00 0.00 C ATOM 172 C CYS A 13 2.515 4.434 2.993 1.00 0.00 C ATOM 173 O CYS A 13 3.169 3.830 3.844 1.00 0.00 O ATOM 174 CB CYS A 13 0.593 4.998 4.457 1.00 0.00 C ATOM 175 SG CYS A 13 -0.981 5.900 4.589 1.00 0.00 S ATOM 0 H CYS A 13 0.089 5.486 1.913 1.00 0.00 H new ATOM 0 HA CYS A 13 2.147 6.366 3.829 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.379 3.955 4.222 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.086 5.012 5.429 1.00 0.00 H new ATOM 180 N ASP A 14 2.500 4.095 1.708 1.00 0.00 N ATOM 181 CA ASP A 14 3.295 2.981 1.186 1.00 0.00 C ATOM 182 C ASP A 14 2.779 1.654 1.733 1.00 0.00 C ATOM 183 O ASP A 14 3.507 0.663 1.801 1.00 0.00 O ATOM 184 CB ASP A 14 4.779 3.144 1.524 1.00 0.00 C ATOM 185 CG ASP A 14 5.690 2.598 0.440 1.00 0.00 C ATOM 186 OD1 ASP A 14 5.461 1.465 -0.037 1.00 0.00 O ATOM 187 OD2 ASP A 14 6.641 3.308 0.053 1.00 0.00 O ATOM 0 H ASP A 14 1.943 4.577 1.002 1.00 0.00 H new ATOM 0 HA ASP A 14 3.192 2.984 0.101 1.00 0.00 H new ATOM 0 HB2 ASP A 14 4.998 4.200 1.679 1.00 0.00 H new ATOM 0 HB3 ASP A 14 4.992 2.633 2.463 1.00 0.00 H new ATOM 192 N TRP A 15 1.491 1.613 2.033 1.00 0.00 N ATOM 193 CA TRP A 15 0.857 0.378 2.455 1.00 0.00 C ATOM 194 C TRP A 15 0.723 -0.541 1.256 1.00 0.00 C ATOM 195 O TRP A 15 0.560 -0.072 0.135 1.00 0.00 O ATOM 196 CB TRP A 15 -0.520 0.660 3.050 1.00 0.00 C ATOM 197 CG TRP A 15 -0.523 0.738 4.542 1.00 0.00 C ATOM 198 CD1 TRP A 15 -0.376 1.860 5.297 1.00 0.00 C ATOM 199 CD2 TRP A 15 -0.689 -0.347 5.461 1.00 0.00 C ATOM 200 NE1 TRP A 15 -0.441 1.545 6.630 1.00 0.00 N ATOM 201 CE2 TRP A 15 -0.631 0.194 6.758 1.00 0.00 C ATOM 202 CE3 TRP A 15 -0.881 -1.725 5.315 1.00 0.00 C ATOM 203 CZ2 TRP A 15 -0.759 -0.592 7.899 1.00 0.00 C ATOM 204 CZ3 TRP A 15 -1.006 -2.503 6.447 1.00 0.00 C ATOM 205 CH2 TRP A 15 -0.947 -1.935 7.725 1.00 0.00 C ATOM 0 H TRP A 15 0.867 2.419 1.992 1.00 0.00 H new ATOM 0 HA TRP A 15 1.470 -0.098 3.221 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -0.896 1.599 2.645 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -1.210 -0.122 2.734 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -0.229 2.855 4.903 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -0.361 2.208 7.401 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -0.930 -2.172 4.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -0.712 -0.157 8.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -1.152 -3.568 6.346 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -1.052 -2.571 8.592 1.00 0.00 H new ATOM 216 N SER A 16 0.874 -1.832 1.465 1.00 0.00 N ATOM 217 CA SER A 16 0.802 -2.775 0.365 1.00 0.00 C ATOM 218 C SER A 16 -0.151 -3.909 0.696 1.00 0.00 C ATOM 219 O SER A 16 -0.082 -4.502 1.772 1.00 0.00 O ATOM 220 CB SER A 16 2.196 -3.308 0.041 1.00 0.00 C ATOM 221 OG SER A 16 3.173 -2.289 0.196 1.00 0.00 O ATOM 0 H SER A 16 1.046 -2.252 2.379 1.00 0.00 H new ATOM 0 HA SER A 16 0.417 -2.261 -0.516 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.431 -4.147 0.696 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.217 -3.686 -0.981 1.00 0.00 H new ATOM 0 HG SER A 16 4.059 -2.651 -0.014 1.00 0.00 H new ATOM 227 N PHE A 17 -1.099 -4.134 -0.198 1.00 0.00 N ATOM 228 CA PHE A 17 -2.129 -5.138 0.000 1.00 0.00 C ATOM 229 C PHE A 17 -2.181 -6.080 -1.189 1.00 0.00 C ATOM 230 O PHE A 17 -2.052 -5.654 -2.339 1.00 0.00 O ATOM 231 CB PHE A 17 -3.495 -4.472 0.184 1.00 0.00 C ATOM 232 CG PHE A 17 -3.525 -3.451 1.277 1.00 0.00 C ATOM 233 CD1 PHE A 17 -3.175 -2.134 1.022 1.00 0.00 C ATOM 234 CD2 PHE A 17 -3.898 -3.810 2.561 1.00 0.00 C ATOM 235 CE1 PHE A 17 -3.200 -1.193 2.027 1.00 0.00 C ATOM 236 CE2 PHE A 17 -3.925 -2.873 3.572 1.00 0.00 C ATOM 237 CZ PHE A 17 -3.574 -1.564 3.306 1.00 0.00 C ATOM 0 H PHE A 17 -1.176 -3.627 -1.080 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.885 -5.706 0.898 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.787 -3.997 -0.753 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.238 -5.241 0.397 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.880 -1.843 0.025 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.170 -4.833 2.773 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.929 -0.169 1.817 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.220 -3.162 4.570 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.592 -0.829 4.097 1.00 0.00 H new ATOM 247 N SER A 18 -2.375 -7.353 -0.910 1.00 0.00 N ATOM 248 CA SER A 18 -2.474 -8.358 -1.950 1.00 0.00 C ATOM 249 C SER A 18 -3.904 -8.412 -2.487 1.00 0.00 C ATOM 250 O SER A 18 -4.180 -9.042 -3.507 1.00 0.00 O ATOM 251 CB SER A 18 -2.060 -9.713 -1.374 1.00 0.00 C ATOM 252 OG SER A 18 -1.494 -9.548 -0.080 1.00 0.00 O ATOM 0 H SER A 18 -2.468 -7.719 0.038 1.00 0.00 H new ATOM 0 HA SER A 18 -1.810 -8.104 -2.776 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.927 -10.372 -1.318 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.338 -10.192 -2.036 1.00 0.00 H new ATOM 0 HG SER A 18 -1.235 -10.423 0.278 1.00 0.00 H new ATOM 258 N ARG A 19 -4.806 -7.729 -1.791 1.00 0.00 N ATOM 259 CA ARG A 19 -6.208 -7.678 -2.179 1.00 0.00 C ATOM 260 C ARG A 19 -6.648 -6.264 -2.429 1.00 0.00 C ATOM 261 O ARG A 19 -6.362 -5.345 -1.658 1.00 0.00 O ATOM 262 CB ARG A 19 -7.092 -8.308 -1.103 1.00 0.00 C ATOM 263 CG ARG A 19 -7.610 -9.687 -1.465 1.00 0.00 C ATOM 264 CD ARG A 19 -8.206 -10.387 -0.260 1.00 0.00 C ATOM 265 NE ARG A 19 -9.387 -9.693 0.255 1.00 0.00 N ATOM 266 CZ ARG A 19 -10.341 -10.283 0.969 1.00 0.00 C ATOM 267 NH1 ARG A 19 -10.252 -11.574 1.258 1.00 0.00 N ATOM 268 NH2 ARG A 19 -11.371 -9.576 1.409 1.00 0.00 N ATOM 0 H ARG A 19 -4.587 -7.199 -0.948 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.314 -8.246 -3.103 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.525 -8.375 -0.174 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.940 -7.650 -0.912 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.364 -9.600 -2.247 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.797 -10.288 -1.871 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.476 -11.407 -0.532 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.455 -10.455 0.527 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.484 -8.698 0.054 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.451 -12.115 0.933 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.984 -12.026 1.806 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.432 -8.580 1.200 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.103 -10.028 1.957 1.00 0.00 H new ATOM 282 N SER A 20 -7.359 -6.125 -3.517 1.00 0.00 N ATOM 283 CA SER A 20 -7.894 -4.872 -3.956 1.00 0.00 C ATOM 284 C SER A 20 -8.861 -4.296 -2.924 1.00 0.00 C ATOM 285 O SER A 20 -8.802 -3.109 -2.596 1.00 0.00 O ATOM 286 CB SER A 20 -8.582 -5.145 -5.276 1.00 0.00 C ATOM 287 OG SER A 20 -9.238 -6.400 -5.249 1.00 0.00 O ATOM 0 H SER A 20 -7.586 -6.904 -4.136 1.00 0.00 H new ATOM 0 HA SER A 20 -7.109 -4.126 -4.077 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.304 -4.356 -5.485 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.850 -5.129 -6.083 1.00 0.00 H new ATOM 0 HG SER A 20 -8.708 -7.057 -5.747 1.00 0.00 H new ATOM 293 N ASP A 21 -9.691 -5.167 -2.356 1.00 0.00 N ATOM 294 CA ASP A 21 -10.636 -4.773 -1.316 1.00 0.00 C ATOM 295 C ASP A 21 -9.899 -4.290 -0.073 1.00 0.00 C ATOM 296 O ASP A 21 -10.323 -3.341 0.577 1.00 0.00 O ATOM 297 CB ASP A 21 -11.558 -5.949 -0.968 1.00 0.00 C ATOM 298 CG ASP A 21 -11.773 -6.129 0.525 1.00 0.00 C ATOM 299 OD1 ASP A 21 -12.662 -5.466 1.094 1.00 0.00 O ATOM 300 OD2 ASP A 21 -11.059 -6.956 1.130 1.00 0.00 O ATOM 0 H ASP A 21 -9.728 -6.156 -2.601 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.243 -3.950 -1.694 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.524 -5.798 -1.451 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.136 -6.866 -1.379 1.00 0.00 H new ATOM 305 N HIS A 22 -8.769 -4.919 0.229 1.00 0.00 N ATOM 306 CA HIS A 22 -7.979 -4.536 1.389 1.00 0.00 C ATOM 307 C HIS A 22 -7.367 -3.156 1.190 1.00 0.00 C ATOM 308 O HIS A 22 -7.376 -2.327 2.099 1.00 0.00 O ATOM 309 CB HIS A 22 -6.887 -5.566 1.662 1.00 0.00 C ATOM 310 CG HIS A 22 -7.323 -6.649 2.599 1.00 0.00 C ATOM 311 ND1 HIS A 22 -8.535 -7.225 2.774 1.00 0.00 N flip ATOM 312 CD2 HIS A 22 -6.483 -7.248 3.509 1.00 0.00 C flip ATOM 313 CE1 HIS A 22 -8.411 -8.148 3.781 1.00 0.00 C flip ATOM 314 NE2 HIS A 22 -7.159 -8.143 4.204 1.00 0.00 N flip ATOM 0 H HIS A 22 -8.382 -5.693 -0.312 1.00 0.00 H new ATOM 0 HA HIS A 22 -8.642 -4.499 2.253 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -6.574 -6.014 0.719 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.016 -5.061 2.080 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -9.385 -7.012 2.252 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.435 -7.021 3.635 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.204 -8.774 4.164 1.00 0.00 H new ATOM 323 N LEU A 23 -6.898 -2.891 -0.022 1.00 0.00 N ATOM 324 CA LEU A 23 -6.356 -1.584 -0.351 1.00 0.00 C ATOM 325 C LEU A 23 -7.449 -0.528 -0.273 1.00 0.00 C ATOM 326 O LEU A 23 -7.260 0.527 0.325 1.00 0.00 O ATOM 327 CB LEU A 23 -5.737 -1.586 -1.746 1.00 0.00 C ATOM 328 CG LEU A 23 -5.211 -0.228 -2.205 1.00 0.00 C ATOM 329 CD1 LEU A 23 -3.953 0.134 -1.438 1.00 0.00 C ATOM 330 CD2 LEU A 23 -4.945 -0.233 -3.699 1.00 0.00 C ATOM 0 H LEU A 23 -6.883 -3.563 -0.790 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.576 -1.348 0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.918 -2.305 -1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.483 -1.933 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.971 0.526 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.588 1.104 -1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.177 0.181 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.189 -0.622 -1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.571 0.744 -4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.203 -0.996 -3.934 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.870 -0.451 -4.233 1.00 0.00 H new ATOM 342 N ALA A 24 -8.609 -0.848 -0.832 1.00 0.00 N ATOM 343 CA ALA A 24 -9.751 0.054 -0.795 1.00 0.00 C ATOM 344 C ALA A 24 -10.223 0.278 0.641 1.00 0.00 C ATOM 345 O ALA A 24 -10.635 1.380 1.004 1.00 0.00 O ATOM 346 CB ALA A 24 -10.884 -0.490 -1.652 1.00 0.00 C ATOM 0 H ALA A 24 -8.783 -1.728 -1.317 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.439 1.016 -1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.730 0.196 -1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.544 -0.591 -2.683 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.190 -1.466 -1.274 1.00 0.00 H new ATOM 352 N LEU A 25 -10.100 -0.757 1.463 1.00 0.00 N ATOM 353 CA LEU A 25 -10.458 -0.675 2.874 1.00 0.00 C ATOM 354 C LEU A 25 -9.529 0.292 3.600 1.00 0.00 C ATOM 355 O LEU A 25 -9.916 0.938 4.572 1.00 0.00 O ATOM 356 CB LEU A 25 -10.374 -2.062 3.521 1.00 0.00 C ATOM 357 CG LEU A 25 -11.247 -2.265 4.759 1.00 0.00 C ATOM 358 CD1 LEU A 25 -12.000 -3.583 4.666 1.00 0.00 C ATOM 359 CD2 LEU A 25 -10.396 -2.229 6.020 1.00 0.00 C ATOM 0 H LEU A 25 -9.752 -1.671 1.173 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.481 -0.307 2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.651 -2.808 2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.336 -2.254 3.794 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.973 -1.453 4.808 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.617 -3.713 5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -12.636 -3.577 3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.288 -4.405 4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.032 -2.375 6.893 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.650 -3.022 5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.895 -1.264 6.094 1.00 0.00 H new ATOM 371 N HIS A 26 -8.303 0.391 3.112 1.00 0.00 N ATOM 372 CA HIS A 26 -7.311 1.275 3.698 1.00 0.00 C ATOM 373 C HIS A 26 -7.422 2.684 3.114 1.00 0.00 C ATOM 374 O HIS A 26 -7.350 3.677 3.836 1.00 0.00 O ATOM 375 CB HIS A 26 -5.903 0.714 3.457 1.00 0.00 C ATOM 376 CG HIS A 26 -4.808 1.691 3.758 1.00 0.00 C ATOM 377 ND1 HIS A 26 -4.413 2.028 5.028 1.00 0.00 N ATOM 378 CD2 HIS A 26 -4.070 2.456 2.919 1.00 0.00 C ATOM 379 CE1 HIS A 26 -3.478 2.981 4.923 1.00 0.00 C ATOM 380 NE2 HIS A 26 -3.232 3.283 3.658 1.00 0.00 N ATOM 0 H HIS A 26 -7.970 -0.135 2.304 1.00 0.00 H new ATOM 0 HA HIS A 26 -7.495 1.335 4.771 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -5.765 -0.175 4.073 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -5.820 0.397 2.417 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -4.768 1.625 5.896 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -4.124 2.428 1.841 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.986 3.445 5.765 1.00 0.00 H new ATOM 388 N ARG A 27 -7.533 2.765 1.795 1.00 0.00 N ATOM 389 CA ARG A 27 -7.552 4.048 1.103 1.00 0.00 C ATOM 390 C ARG A 27 -8.909 4.729 1.225 1.00 0.00 C ATOM 391 O ARG A 27 -9.098 5.842 0.732 1.00 0.00 O ATOM 392 CB ARG A 27 -7.175 3.870 -0.369 1.00 0.00 C ATOM 393 CG ARG A 27 -5.801 3.260 -0.569 1.00 0.00 C ATOM 394 CD ARG A 27 -4.997 3.995 -1.634 1.00 0.00 C ATOM 395 NE ARG A 27 -5.613 5.263 -2.033 1.00 0.00 N ATOM 396 CZ ARG A 27 -6.204 5.468 -3.218 1.00 0.00 C ATOM 397 NH1 ARG A 27 -6.266 4.489 -4.106 1.00 0.00 N ATOM 398 NH2 ARG A 27 -6.718 6.660 -3.513 1.00 0.00 N ATOM 0 H ARG A 27 -7.612 1.955 1.180 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.813 4.691 1.580 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.919 3.238 -0.853 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.210 4.840 -0.865 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.255 3.280 0.374 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.908 2.213 -0.854 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.992 4.187 -1.257 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.892 3.355 -2.510 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.591 6.037 -1.369 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.864 3.577 -3.889 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.716 4.646 -5.008 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.663 7.421 -2.836 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.167 6.812 -4.416 1.00 0.00 H new ATOM 412 N LYS A 28 -9.820 4.107 1.961 1.00 0.00 N ATOM 413 CA LYS A 28 -11.126 4.698 2.214 1.00 0.00 C ATOM 414 C LYS A 28 -10.981 5.951 3.072 1.00 0.00 C ATOM 415 O LYS A 28 -11.745 6.904 2.934 1.00 0.00 O ATOM 416 CB LYS A 28 -12.062 3.683 2.885 1.00 0.00 C ATOM 417 CG LYS A 28 -11.781 3.451 4.362 1.00 0.00 C ATOM 418 CD LYS A 28 -13.011 2.942 5.096 1.00 0.00 C ATOM 419 CE LYS A 28 -12.929 1.444 5.351 1.00 0.00 C ATOM 420 NZ LYS A 28 -13.749 1.034 6.520 1.00 0.00 N ATOM 0 H LYS A 28 -9.678 3.194 2.393 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.568 4.982 1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.091 4.026 2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.984 2.732 2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.970 2.731 4.469 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.444 4.382 4.819 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.113 3.468 6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.903 3.164 4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.266 0.906 4.465 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.890 1.161 5.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.666 0.007 6.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.411 1.527 7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.745 1.280 6.349 1.00 0.00 H new ATOM 434 N ARG A 29 -9.956 5.962 3.918 1.00 0.00 N ATOM 435 CA ARG A 29 -9.671 7.101 4.768 1.00 0.00 C ATOM 436 C ARG A 29 -8.886 8.165 4.004 1.00 0.00 C ATOM 437 O ARG A 29 -8.612 9.243 4.524 1.00 0.00 O ATOM 438 CB ARG A 29 -8.879 6.643 5.991 1.00 0.00 C ATOM 439 CG ARG A 29 -7.426 6.319 5.687 1.00 0.00 C ATOM 440 CD ARG A 29 -6.676 5.913 6.939 1.00 0.00 C ATOM 441 NE ARG A 29 -6.923 4.517 7.294 1.00 0.00 N ATOM 442 CZ ARG A 29 -6.637 3.987 8.481 1.00 0.00 C ATOM 443 NH1 ARG A 29 -6.092 4.730 9.438 1.00 0.00 N ATOM 444 NH2 ARG A 29 -6.902 2.708 8.706 1.00 0.00 N ATOM 0 H ARG A 29 -9.306 5.184 4.030 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.615 7.540 5.091 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -8.917 7.423 6.752 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.359 5.761 6.415 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.377 5.513 4.954 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.944 7.188 5.238 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.607 6.065 6.787 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.976 6.556 7.766 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.341 3.911 6.588 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.889 5.715 9.266 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.876 4.316 10.345 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.322 2.137 7.972 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.686 2.294 9.613 1.00 0.00 H new ATOM 458 N HIS A 30 -8.553 7.859 2.759 1.00 0.00 N ATOM 459 CA HIS A 30 -7.824 8.786 1.908 1.00 0.00 C ATOM 460 C HIS A 30 -8.781 9.450 0.932 1.00 0.00 C ATOM 461 O HIS A 30 -8.435 9.709 -0.221 1.00 0.00 O ATOM 462 CB HIS A 30 -6.719 8.058 1.140 1.00 0.00 C ATOM 463 CG HIS A 30 -5.665 7.453 2.013 1.00 0.00 C ATOM 464 ND1 HIS A 30 -5.246 8.003 3.200 1.00 0.00 N ATOM 465 CD2 HIS A 30 -4.941 6.316 1.851 1.00 0.00 C ATOM 466 CE1 HIS A 30 -4.304 7.202 3.713 1.00 0.00 C ATOM 467 NE2 HIS A 30 -4.078 6.159 2.931 1.00 0.00 N ATOM 0 H HIS A 30 -8.778 6.969 2.314 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.364 9.548 2.538 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.170 7.272 0.535 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -6.247 8.759 0.452 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -5.591 8.868 3.616 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.022 5.639 1.014 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -3.793 7.384 4.647 1.00 0.00 H new ATOM 475 N MET A 31 -10.020 9.608 1.367 1.00 0.00 N ATOM 476 CA MET A 31 -11.064 10.141 0.504 1.00 0.00 C ATOM 477 C MET A 31 -11.449 11.552 0.930 1.00 0.00 C ATOM 478 O MET A 31 -12.355 12.163 0.353 1.00 0.00 O ATOM 479 CB MET A 31 -12.288 9.228 0.537 1.00 0.00 C ATOM 480 CG MET A 31 -12.098 7.932 -0.235 1.00 0.00 C ATOM 481 SD MET A 31 -13.659 7.124 -0.643 1.00 0.00 S ATOM 482 CE MET A 31 -13.192 5.402 -0.503 1.00 0.00 C ATOM 0 H MET A 31 -10.328 9.376 2.311 1.00 0.00 H new ATOM 0 HA MET A 31 -10.680 10.184 -0.515 1.00 0.00 H new ATOM 0 HB2 MET A 31 -12.528 8.992 1.574 1.00 0.00 H new ATOM 0 HB3 MET A 31 -13.143 9.765 0.126 1.00 0.00 H new ATOM 0 HG2 MET A 31 -11.551 8.139 -1.154 1.00 0.00 H new ATOM 0 HG3 MET A 31 -11.485 7.250 0.354 1.00 0.00 H new ATOM 0 HE1 MET A 31 -13.729 4.818 -1.250 1.00 0.00 H new ATOM 0 HE2 MET A 31 -12.119 5.302 -0.666 1.00 0.00 H new ATOM 0 HE3 MET A 31 -13.444 5.037 0.493 1.00 0.00 H new ATOM 492 N LEU A 32 -10.768 12.041 1.962 1.00 0.00 N ATOM 493 CA LEU A 32 -11.017 13.370 2.519 1.00 0.00 C ATOM 494 C LEU A 32 -12.459 13.496 3.000 1.00 0.00 C ATOM 495 O LEU A 32 -13.058 14.572 2.950 1.00 0.00 O ATOM 496 CB LEU A 32 -10.697 14.464 1.495 1.00 0.00 C ATOM 497 CG LEU A 32 -9.739 15.551 1.988 1.00 0.00 C ATOM 498 CD1 LEU A 32 -8.387 15.422 1.303 1.00 0.00 C ATOM 499 CD2 LEU A 32 -10.332 16.932 1.752 1.00 0.00 C ATOM 0 H LEU A 32 -10.026 11.527 2.438 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.356 13.501 3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.267 13.997 0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.630 14.936 1.186 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.592 15.421 3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.719 16.203 1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.958 14.445 1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.514 15.525 0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.637 17.692 2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.510 17.074 0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.275 17.020 2.292 1.00 0.00 H new ATOM 511 N VAL A 33 -12.996 12.397 3.496 1.00 0.00 N ATOM 512 CA VAL A 33 -14.344 12.375 4.030 1.00 0.00 C ATOM 513 C VAL A 33 -14.310 11.963 5.499 1.00 0.00 C ATOM 514 O VAL A 33 -13.397 11.198 5.884 1.00 0.00 O ATOM 515 CB VAL A 33 -15.266 11.428 3.218 1.00 0.00 C ATOM 516 CG1 VAL A 33 -14.862 9.972 3.399 1.00 0.00 C ATOM 517 CG2 VAL A 33 -16.727 11.633 3.598 1.00 0.00 C ATOM 518 OXT VAL A 33 -15.164 12.443 6.272 1.00 0.00 O ATOM 0 H VAL A 33 -12.513 11.500 3.540 1.00 0.00 H new ATOM 0 HA VAL A 33 -14.759 13.380 3.948 1.00 0.00 H new ATOM 0 HB VAL A 33 -15.149 11.678 2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -15.528 9.335 2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.836 9.834 3.057 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -14.932 9.703 4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -17.353 10.957 3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -16.859 11.425 4.660 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -17.015 12.664 3.392 1.00 0.00 H new TER 528 VAL A 33 HETATM 529 ZN ZN A 34 -2.474 5.003 3.065 1.00 0.00 ZN