USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=7 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+ 139:sc= 0.0653 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0137 USER MOD Single : A 3 THR OG1 : rot 85:sc= 0.0795 USER MOD Single : A 6 LYS NZ :NH3+ 147:sc= 0.715 (180deg=0.108) USER MOD Single : A 9 GLN : amide:sc= 1.17 K(o=1.2,f=-2.9!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0744 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0428 USER MOD Single : A 22 HIS : no HD1:sc=-0.00298 X(o=-0.003,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.502 -17.187 -0.669 1.00 0.00 N ATOM 2 CA GLY A 1 9.439 -15.882 0.026 1.00 0.00 C ATOM 3 C GLY A 1 8.222 -15.092 -0.388 1.00 0.00 C ATOM 4 O GLY A 1 7.662 -15.323 -1.462 1.00 0.00 O ATOM 0 H1 GLY A 1 10.483 -17.382 -0.953 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.171 -17.937 -0.029 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.896 -17.160 -1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.420 -16.043 1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.339 -15.308 -0.194 1.00 0.00 H new ATOM 10 N SER A 2 7.797 -14.177 0.462 1.00 0.00 N ATOM 11 CA SER A 2 6.640 -13.354 0.171 1.00 0.00 C ATOM 12 C SER A 2 7.075 -12.043 -0.471 1.00 0.00 C ATOM 13 O SER A 2 8.215 -11.606 -0.302 1.00 0.00 O ATOM 14 CB SER A 2 5.849 -13.084 1.451 1.00 0.00 C ATOM 15 OG SER A 2 6.342 -13.868 2.529 1.00 0.00 O ATOM 0 H SER A 2 8.237 -13.985 1.362 1.00 0.00 H new ATOM 0 HA SER A 2 5.997 -13.887 -0.529 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.914 -12.026 1.706 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.795 -13.308 1.286 1.00 0.00 H new ATOM 0 HG SER A 2 5.822 -13.677 3.337 1.00 0.00 H new ATOM 21 N THR A 3 6.182 -11.435 -1.230 1.00 0.00 N ATOM 22 CA THR A 3 6.481 -10.189 -1.909 1.00 0.00 C ATOM 23 C THR A 3 6.365 -9.010 -0.949 1.00 0.00 C ATOM 24 O THR A 3 5.432 -8.945 -0.149 1.00 0.00 O ATOM 25 CB THR A 3 5.527 -9.977 -3.095 1.00 0.00 C ATOM 26 OG1 THR A 3 4.739 -11.160 -3.298 1.00 0.00 O ATOM 27 CG2 THR A 3 6.297 -9.651 -4.365 1.00 0.00 C ATOM 0 H THR A 3 5.238 -11.787 -1.392 1.00 0.00 H new ATOM 0 HA THR A 3 7.505 -10.248 -2.279 1.00 0.00 H new ATOM 0 HB THR A 3 4.875 -9.135 -2.864 1.00 0.00 H new ATOM 0 HG1 THR A 3 3.957 -11.138 -2.707 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.597 -9.506 -5.188 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.876 -8.739 -4.216 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.971 -10.474 -4.603 1.00 0.00 H new ATOM 35 N GLY A 4 7.312 -8.083 -1.027 1.00 0.00 N ATOM 36 CA GLY A 4 7.275 -6.920 -0.162 1.00 0.00 C ATOM 37 C GLY A 4 6.291 -5.887 -0.668 1.00 0.00 C ATOM 38 O GLY A 4 5.363 -5.497 0.044 1.00 0.00 O ATOM 0 H GLY A 4 8.102 -8.116 -1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.999 -7.224 0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.270 -6.478 -0.101 1.00 0.00 H new ATOM 42 N ILE A 5 6.401 -5.573 -1.947 1.00 0.00 N ATOM 43 CA ILE A 5 5.448 -4.697 -2.605 1.00 0.00 C ATOM 44 C ILE A 5 4.328 -5.532 -3.207 1.00 0.00 C ATOM 45 O ILE A 5 4.569 -6.622 -3.726 1.00 0.00 O ATOM 46 CB ILE A 5 6.125 -3.855 -3.710 1.00 0.00 C ATOM 47 CG1 ILE A 5 7.291 -3.053 -3.126 1.00 0.00 C ATOM 48 CG2 ILE A 5 5.124 -2.924 -4.384 1.00 0.00 C ATOM 49 CD1 ILE A 5 6.908 -2.185 -1.947 1.00 0.00 C ATOM 0 H ILE A 5 7.146 -5.914 -2.554 1.00 0.00 H new ATOM 0 HA ILE A 5 5.043 -4.010 -1.862 1.00 0.00 H new ATOM 0 HB ILE A 5 6.511 -4.538 -4.467 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.075 -3.744 -2.817 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.713 -2.421 -3.908 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.629 -2.345 -5.157 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.326 -3.513 -4.836 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.700 -2.247 -3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.787 -1.649 -1.589 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.146 -1.469 -2.255 1.00 0.00 H new ATOM 0 HD13 ILE A 5 6.515 -2.812 -1.146 1.00 0.00 H new ATOM 61 N LYS A 6 3.103 -5.049 -3.091 1.00 0.00 N ATOM 62 CA LYS A 6 1.953 -5.777 -3.596 1.00 0.00 C ATOM 63 C LYS A 6 1.273 -4.988 -4.707 1.00 0.00 C ATOM 64 O LYS A 6 1.525 -3.792 -4.872 1.00 0.00 O ATOM 65 CB LYS A 6 0.985 -6.076 -2.457 1.00 0.00 C ATOM 66 CG LYS A 6 1.251 -7.411 -1.775 1.00 0.00 C ATOM 67 CD LYS A 6 1.288 -7.274 -0.261 1.00 0.00 C ATOM 68 CE LYS A 6 2.642 -7.677 0.300 1.00 0.00 C ATOM 69 NZ LYS A 6 2.707 -9.130 0.617 1.00 0.00 N ATOM 0 H LYS A 6 2.880 -4.156 -2.652 1.00 0.00 H new ATOM 0 HA LYS A 6 2.286 -6.726 -4.017 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.049 -5.279 -1.717 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.034 -6.070 -2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.476 -8.124 -2.057 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.200 -7.816 -2.127 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.069 -6.243 0.018 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.510 -7.896 0.181 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.421 -7.428 -0.421 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.846 -7.100 1.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.673 -9.478 0.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.449 -9.280 1.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.044 -9.649 0.006 1.00 0.00 H new ATOM 83 N PRO A 7 0.473 -5.677 -5.538 1.00 0.00 N ATOM 84 CA PRO A 7 -0.177 -5.080 -6.709 1.00 0.00 C ATOM 85 C PRO A 7 -1.128 -3.946 -6.341 1.00 0.00 C ATOM 86 O PRO A 7 -1.425 -3.076 -7.159 1.00 0.00 O ATOM 87 CB PRO A 7 -0.948 -6.246 -7.342 1.00 0.00 C ATOM 88 CG PRO A 7 -1.009 -7.300 -6.291 1.00 0.00 C ATOM 89 CD PRO A 7 0.214 -7.119 -5.447 1.00 0.00 C ATOM 0 HA PRO A 7 0.553 -4.627 -7.380 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.948 -5.936 -7.646 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -0.442 -6.612 -8.236 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.914 -7.200 -5.692 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.030 -8.294 -6.737 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.043 -7.433 -4.417 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.053 -7.704 -5.824 1.00 0.00 H new ATOM 97 N PHE A 8 -1.565 -3.940 -5.095 1.00 0.00 N ATOM 98 CA PHE A 8 -2.421 -2.887 -4.596 1.00 0.00 C ATOM 99 C PHE A 8 -1.680 -2.102 -3.526 1.00 0.00 C ATOM 100 O PHE A 8 -1.513 -2.569 -2.402 1.00 0.00 O ATOM 101 CB PHE A 8 -3.714 -3.473 -4.034 1.00 0.00 C ATOM 102 CG PHE A 8 -4.402 -4.413 -4.982 1.00 0.00 C ATOM 103 CD1 PHE A 8 -5.296 -3.935 -5.926 1.00 0.00 C ATOM 104 CD2 PHE A 8 -4.155 -5.774 -4.926 1.00 0.00 C ATOM 105 CE1 PHE A 8 -5.929 -4.799 -6.798 1.00 0.00 C ATOM 106 CE2 PHE A 8 -4.787 -6.642 -5.793 1.00 0.00 C ATOM 107 CZ PHE A 8 -5.677 -6.154 -6.727 1.00 0.00 C ATOM 0 H PHE A 8 -1.338 -4.659 -4.408 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.683 -2.216 -5.414 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.492 -4.001 -3.107 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.394 -2.659 -3.783 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -5.500 -2.876 -5.981 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.460 -6.161 -4.196 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.620 -4.415 -7.534 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.585 -7.702 -5.740 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.177 -6.832 -7.403 1.00 0.00 H new ATOM 117 N GLN A 9 -1.107 -0.983 -3.922 1.00 0.00 N ATOM 118 CA GLN A 9 -0.267 -0.211 -3.031 1.00 0.00 C ATOM 119 C GLN A 9 -0.875 1.149 -2.735 1.00 0.00 C ATOM 120 O GLN A 9 -1.403 1.814 -3.631 1.00 0.00 O ATOM 121 CB GLN A 9 1.113 -0.031 -3.653 1.00 0.00 C ATOM 122 CG GLN A 9 2.196 -0.841 -2.970 1.00 0.00 C ATOM 123 CD GLN A 9 3.353 0.021 -2.517 1.00 0.00 C ATOM 124 OE1 GLN A 9 4.425 0.012 -3.114 1.00 0.00 O ATOM 125 NE2 GLN A 9 3.135 0.776 -1.464 1.00 0.00 N ATOM 0 H GLN A 9 -1.209 -0.588 -4.857 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.182 -0.756 -2.091 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.068 -0.314 -4.705 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.383 1.024 -3.618 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.772 -1.359 -2.110 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.561 -1.606 -3.655 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.228 0.752 -0.998 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.873 1.386 -1.112 1.00 0.00 H new ATOM 134 N CYS A 10 -0.702 1.597 -1.500 1.00 0.00 N ATOM 135 CA CYS A 10 -1.104 2.933 -1.116 1.00 0.00 C ATOM 136 C CYS A 10 0.016 3.913 -1.451 1.00 0.00 C ATOM 137 O CYS A 10 1.159 3.720 -1.033 1.00 0.00 O ATOM 138 CB CYS A 10 -1.421 3.014 0.384 1.00 0.00 C ATOM 139 SG CYS A 10 -1.448 4.731 1.001 1.00 0.00 S ATOM 0 H CYS A 10 -0.284 1.049 -0.748 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.008 3.189 -1.668 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.388 2.548 0.573 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.678 2.443 0.940 1.00 0.00 H new ATOM 144 N PRO A 11 -0.288 4.975 -2.200 1.00 0.00 N ATOM 145 CA PRO A 11 0.693 5.994 -2.552 1.00 0.00 C ATOM 146 C PRO A 11 0.849 7.041 -1.449 1.00 0.00 C ATOM 147 O PRO A 11 1.681 7.944 -1.544 1.00 0.00 O ATOM 148 CB PRO A 11 0.089 6.619 -3.803 1.00 0.00 C ATOM 149 CG PRO A 11 -1.382 6.512 -3.601 1.00 0.00 C ATOM 150 CD PRO A 11 -1.611 5.268 -2.777 1.00 0.00 C ATOM 0 HA PRO A 11 1.693 5.585 -2.698 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.399 7.658 -3.917 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.405 6.091 -4.703 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.769 7.393 -3.089 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.901 6.445 -4.557 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.357 5.435 -2.000 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.970 4.443 -3.392 1.00 0.00 H new ATOM 158 N ASP A 12 0.019 6.932 -0.416 1.00 0.00 N ATOM 159 CA ASP A 12 0.026 7.906 0.672 1.00 0.00 C ATOM 160 C ASP A 12 0.927 7.455 1.818 1.00 0.00 C ATOM 161 O ASP A 12 1.785 8.214 2.279 1.00 0.00 O ATOM 162 CB ASP A 12 -1.396 8.148 1.189 1.00 0.00 C ATOM 163 CG ASP A 12 -1.514 9.439 1.972 1.00 0.00 C ATOM 164 OD1 ASP A 12 -0.966 10.467 1.525 1.00 0.00 O ATOM 165 OD2 ASP A 12 -2.164 9.439 3.036 1.00 0.00 O ATOM 0 H ASP A 12 -0.665 6.183 -0.309 1.00 0.00 H new ATOM 0 HA ASP A 12 0.423 8.840 0.274 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.087 8.173 0.346 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.696 7.313 1.822 1.00 0.00 H new ATOM 170 N CYS A 13 0.738 6.221 2.271 1.00 0.00 N ATOM 171 CA CYS A 13 1.531 5.684 3.373 1.00 0.00 C ATOM 172 C CYS A 13 2.555 4.668 2.887 1.00 0.00 C ATOM 173 O CYS A 13 3.382 4.197 3.673 1.00 0.00 O ATOM 174 CB CYS A 13 0.631 5.018 4.412 1.00 0.00 C ATOM 175 SG CYS A 13 -0.997 5.794 4.613 1.00 0.00 S ATOM 0 H CYS A 13 0.045 5.574 1.894 1.00 0.00 H new ATOM 0 HA CYS A 13 2.057 6.526 3.824 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.489 3.974 4.134 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.143 5.025 5.374 1.00 0.00 H new ATOM 180 N ASP A 14 2.424 4.264 1.627 1.00 0.00 N ATOM 181 CA ASP A 14 3.274 3.224 1.042 1.00 0.00 C ATOM 182 C ASP A 14 2.907 1.851 1.604 1.00 0.00 C ATOM 183 O ASP A 14 3.745 0.952 1.693 1.00 0.00 O ATOM 184 CB ASP A 14 4.759 3.520 1.276 1.00 0.00 C ATOM 185 CG ASP A 14 5.602 3.259 0.048 1.00 0.00 C ATOM 186 OD1 ASP A 14 5.244 2.371 -0.753 1.00 0.00 O ATOM 187 OD2 ASP A 14 6.625 3.951 -0.128 1.00 0.00 O ATOM 0 H ASP A 14 1.730 4.644 0.983 1.00 0.00 H new ATOM 0 HA ASP A 14 3.100 3.219 -0.034 1.00 0.00 H new ATOM 0 HB2 ASP A 14 4.875 4.561 1.578 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.123 2.906 2.100 1.00 0.00 H new ATOM 192 N TRP A 15 1.625 1.672 1.899 1.00 0.00 N ATOM 193 CA TRP A 15 1.112 0.387 2.346 1.00 0.00 C ATOM 194 C TRP A 15 0.956 -0.542 1.151 1.00 0.00 C ATOM 195 O TRP A 15 0.822 -0.081 0.017 1.00 0.00 O ATOM 196 CB TRP A 15 -0.241 0.566 3.036 1.00 0.00 C ATOM 197 CG TRP A 15 -0.147 0.729 4.520 1.00 0.00 C ATOM 198 CD1 TRP A 15 -0.079 1.903 5.205 1.00 0.00 C ATOM 199 CD2 TRP A 15 -0.121 -0.313 5.500 1.00 0.00 C ATOM 200 NE1 TRP A 15 -0.014 1.661 6.554 1.00 0.00 N ATOM 201 CE2 TRP A 15 -0.035 0.306 6.761 1.00 0.00 C ATOM 202 CE3 TRP A 15 -0.163 -1.707 5.436 1.00 0.00 C ATOM 203 CZ2 TRP A 15 0.012 -0.421 7.946 1.00 0.00 C ATOM 204 CZ3 TRP A 15 -0.116 -2.428 6.615 1.00 0.00 C ATOM 205 CH2 TRP A 15 -0.031 -1.783 7.855 1.00 0.00 C ATOM 0 H TRP A 15 0.920 2.406 1.835 1.00 0.00 H new ATOM 0 HA TRP A 15 1.815 -0.046 3.057 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -0.740 1.439 2.615 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -0.868 -0.297 2.814 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -0.077 2.883 4.752 1.00 0.00 H new ATOM 0 HE1 TRP A 15 0.041 2.372 7.283 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -0.231 -2.212 4.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.080 0.074 8.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.145 -3.507 6.579 1.00 0.00 H new ATOM 0 HH2 TRP A 15 0.001 -2.375 8.758 1.00 0.00 H new ATOM 216 N SER A 16 1.007 -1.842 1.387 1.00 0.00 N ATOM 217 CA SER A 16 0.877 -2.804 0.306 1.00 0.00 C ATOM 218 C SER A 16 -0.145 -3.878 0.651 1.00 0.00 C ATOM 219 O SER A 16 -0.125 -4.444 1.746 1.00 0.00 O ATOM 220 CB SER A 16 2.233 -3.439 0.004 1.00 0.00 C ATOM 221 OG SER A 16 3.288 -2.533 0.277 1.00 0.00 O ATOM 0 H SER A 16 1.137 -2.254 2.311 1.00 0.00 H new ATOM 0 HA SER A 16 0.526 -2.277 -0.581 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.358 -4.341 0.604 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.271 -3.744 -1.042 1.00 0.00 H new ATOM 0 HG SER A 16 4.147 -2.961 0.078 1.00 0.00 H new ATOM 227 N PHE A 17 -1.065 -4.120 -0.270 1.00 0.00 N ATOM 228 CA PHE A 17 -2.119 -5.103 -0.070 1.00 0.00 C ATOM 229 C PHE A 17 -2.200 -6.027 -1.271 1.00 0.00 C ATOM 230 O PHE A 17 -2.055 -5.590 -2.412 1.00 0.00 O ATOM 231 CB PHE A 17 -3.469 -4.410 0.146 1.00 0.00 C ATOM 232 CG PHE A 17 -3.457 -3.422 1.274 1.00 0.00 C ATOM 233 CD1 PHE A 17 -3.043 -2.117 1.063 1.00 0.00 C ATOM 234 CD2 PHE A 17 -3.847 -3.801 2.546 1.00 0.00 C ATOM 235 CE1 PHE A 17 -3.018 -1.208 2.100 1.00 0.00 C ATOM 236 CE2 PHE A 17 -3.827 -2.896 3.589 1.00 0.00 C ATOM 237 CZ PHE A 17 -3.409 -1.599 3.367 1.00 0.00 C ATOM 0 H PHE A 17 -1.103 -3.644 -1.171 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.882 -5.688 0.819 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.758 -3.898 -0.772 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.230 -5.166 0.343 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.736 -1.808 0.075 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.171 -4.816 2.725 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.694 -0.193 1.923 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.138 -3.202 4.577 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.388 -0.891 4.182 1.00 0.00 H new ATOM 247 N SER A 18 -2.410 -7.304 -1.011 1.00 0.00 N ATOM 248 CA SER A 18 -2.511 -8.296 -2.067 1.00 0.00 C ATOM 249 C SER A 18 -3.947 -8.371 -2.573 1.00 0.00 C ATOM 250 O SER A 18 -4.235 -8.983 -3.603 1.00 0.00 O ATOM 251 CB SER A 18 -2.056 -9.651 -1.525 1.00 0.00 C ATOM 252 OG SER A 18 -1.683 -9.541 -0.156 1.00 0.00 O ATOM 0 H SER A 18 -2.515 -7.682 -0.069 1.00 0.00 H new ATOM 0 HA SER A 18 -1.870 -8.014 -2.903 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.859 -10.380 -1.632 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.212 -10.018 -2.109 1.00 0.00 H new ATOM 0 HG SER A 18 -1.396 -10.417 0.176 1.00 0.00 H new ATOM 258 N ARG A 19 -4.841 -7.703 -1.852 1.00 0.00 N ATOM 259 CA ARG A 19 -6.244 -7.643 -2.223 1.00 0.00 C ATOM 260 C ARG A 19 -6.687 -6.226 -2.427 1.00 0.00 C ATOM 261 O ARG A 19 -6.449 -5.339 -1.606 1.00 0.00 O ATOM 262 CB ARG A 19 -7.123 -8.303 -1.165 1.00 0.00 C ATOM 263 CG ARG A 19 -7.191 -9.808 -1.299 1.00 0.00 C ATOM 264 CD ARG A 19 -8.277 -10.236 -2.265 1.00 0.00 C ATOM 265 NE ARG A 19 -9.589 -9.705 -1.891 1.00 0.00 N ATOM 266 CZ ARG A 19 -10.573 -9.486 -2.761 1.00 0.00 C ATOM 267 NH1 ARG A 19 -10.363 -9.651 -4.064 1.00 0.00 N ATOM 268 NH2 ARG A 19 -11.765 -9.093 -2.329 1.00 0.00 N ATOM 0 H ARG A 19 -4.612 -7.192 -0.999 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.353 -8.187 -3.161 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.741 -8.050 -0.176 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.131 -7.893 -1.232 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.228 -10.187 -1.643 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.378 -10.252 -0.321 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.022 -9.897 -3.269 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.323 -11.325 -2.298 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.759 -9.491 -0.908 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.446 -9.946 -4.399 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.119 -9.482 -4.728 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.927 -8.959 -1.331 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.519 -8.925 -2.995 1.00 0.00 H new ATOM 282 N SER A 20 -7.389 -6.065 -3.515 1.00 0.00 N ATOM 283 CA SER A 20 -7.965 -4.816 -3.913 1.00 0.00 C ATOM 284 C SER A 20 -8.914 -4.286 -2.844 1.00 0.00 C ATOM 285 O SER A 20 -8.871 -3.114 -2.475 1.00 0.00 O ATOM 286 CB SER A 20 -8.702 -5.093 -5.204 1.00 0.00 C ATOM 287 OG SER A 20 -9.398 -6.328 -5.123 1.00 0.00 O ATOM 0 H SER A 20 -7.580 -6.825 -4.168 1.00 0.00 H new ATOM 0 HA SER A 20 -7.200 -4.051 -4.049 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.405 -4.285 -5.409 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.996 -5.120 -6.034 1.00 0.00 H new ATOM 0 HG SER A 20 -9.871 -6.493 -5.965 1.00 0.00 H new ATOM 293 N ASP A 21 -9.735 -5.184 -2.321 1.00 0.00 N ATOM 294 CA ASP A 21 -10.706 -4.846 -1.293 1.00 0.00 C ATOM 295 C ASP A 21 -10.018 -4.406 -0.005 1.00 0.00 C ATOM 296 O ASP A 21 -10.497 -3.511 0.689 1.00 0.00 O ATOM 297 CB ASP A 21 -11.610 -6.057 -1.035 1.00 0.00 C ATOM 298 CG ASP A 21 -12.256 -6.050 0.336 1.00 0.00 C ATOM 299 OD1 ASP A 21 -13.331 -5.435 0.487 1.00 0.00 O ATOM 300 OD2 ASP A 21 -11.701 -6.682 1.258 1.00 0.00 O ATOM 0 H ASP A 21 -9.747 -6.166 -2.597 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.310 -4.008 -1.642 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.391 -6.086 -1.795 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.023 -6.969 -1.146 1.00 0.00 H new ATOM 305 N HIS A 22 -8.855 -4.984 0.275 1.00 0.00 N ATOM 306 CA HIS A 22 -8.093 -4.611 1.463 1.00 0.00 C ATOM 307 C HIS A 22 -7.465 -3.240 1.284 1.00 0.00 C ATOM 308 O HIS A 22 -7.521 -2.401 2.179 1.00 0.00 O ATOM 309 CB HIS A 22 -7.015 -5.647 1.776 1.00 0.00 C ATOM 310 CG HIS A 22 -7.506 -6.747 2.665 1.00 0.00 C ATOM 311 ND1 HIS A 22 -6.770 -7.266 3.706 1.00 0.00 N ATOM 312 CD2 HIS A 22 -8.682 -7.413 2.671 1.00 0.00 C ATOM 313 CE1 HIS A 22 -7.476 -8.201 4.317 1.00 0.00 C ATOM 314 NE2 HIS A 22 -8.640 -8.310 3.708 1.00 0.00 N ATOM 0 H HIS A 22 -8.421 -5.707 -0.299 1.00 0.00 H new ATOM 0 HA HIS A 22 -8.785 -4.575 2.305 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -6.649 -6.076 0.843 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.169 -5.151 2.253 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.504 -7.266 1.986 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -7.154 -8.778 5.171 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.387 -8.955 3.966 1.00 0.00 H new ATOM 323 N LEU A 23 -6.935 -2.988 0.096 1.00 0.00 N ATOM 324 CA LEU A 23 -6.372 -1.688 -0.216 1.00 0.00 C ATOM 325 C LEU A 23 -7.454 -0.627 -0.155 1.00 0.00 C ATOM 326 O LEU A 23 -7.256 0.440 0.420 1.00 0.00 O ATOM 327 CB LEU A 23 -5.726 -1.697 -1.600 1.00 0.00 C ATOM 328 CG LEU A 23 -5.231 -0.333 -2.083 1.00 0.00 C ATOM 329 CD1 LEU A 23 -3.927 0.022 -1.396 1.00 0.00 C ATOM 330 CD2 LEU A 23 -5.063 -0.327 -3.592 1.00 0.00 C ATOM 0 H LEU A 23 -6.884 -3.666 -0.664 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.603 -1.459 0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.885 -2.390 -1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.448 -2.082 -2.320 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.976 0.420 -1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.584 0.995 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.082 0.060 -0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.176 -0.733 -1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.710 0.652 -3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.337 -1.087 -3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.021 -0.542 -4.066 1.00 0.00 H new ATOM 342 N ALA A 24 -8.615 -0.945 -0.711 1.00 0.00 N ATOM 343 CA ALA A 24 -9.742 -0.030 -0.700 1.00 0.00 C ATOM 344 C ALA A 24 -10.201 0.251 0.727 1.00 0.00 C ATOM 345 O ALA A 24 -10.553 1.380 1.065 1.00 0.00 O ATOM 346 CB ALA A 24 -10.886 -0.594 -1.530 1.00 0.00 C ATOM 0 H ALA A 24 -8.799 -1.834 -1.176 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.423 0.914 -1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.725 0.102 -1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.553 -0.737 -2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.200 -1.551 -1.114 1.00 0.00 H new ATOM 352 N LEU A 25 -10.113 -0.767 1.580 1.00 0.00 N ATOM 353 CA LEU A 25 -10.472 -0.624 2.988 1.00 0.00 C ATOM 354 C LEU A 25 -9.477 0.285 3.709 1.00 0.00 C ATOM 355 O LEU A 25 -9.804 0.901 4.722 1.00 0.00 O ATOM 356 CB LEU A 25 -10.543 -2.007 3.662 1.00 0.00 C ATOM 357 CG LEU A 25 -9.716 -2.181 4.942 1.00 0.00 C ATOM 358 CD1 LEU A 25 -10.602 -2.064 6.173 1.00 0.00 C ATOM 359 CD2 LEU A 25 -8.994 -3.519 4.931 1.00 0.00 C ATOM 0 H LEU A 25 -9.796 -1.701 1.320 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.456 -0.160 3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.586 -2.220 3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.219 -2.757 2.940 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.971 -1.386 4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.996 -2.190 7.070 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.074 -1.082 6.189 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.371 -2.836 6.143 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.412 -3.626 5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.724 -4.326 4.869 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.327 -3.566 4.070 1.00 0.00 H new ATOM 371 N HIS A 26 -8.278 0.396 3.158 1.00 0.00 N ATOM 372 CA HIS A 26 -7.253 1.248 3.734 1.00 0.00 C ATOM 373 C HIS A 26 -7.299 2.646 3.118 1.00 0.00 C ATOM 374 O HIS A 26 -6.964 3.639 3.765 1.00 0.00 O ATOM 375 CB HIS A 26 -5.867 0.620 3.525 1.00 0.00 C ATOM 376 CG HIS A 26 -4.728 1.556 3.804 1.00 0.00 C ATOM 377 ND1 HIS A 26 -4.289 1.879 5.063 1.00 0.00 N ATOM 378 CD2 HIS A 26 -3.994 2.309 2.950 1.00 0.00 C ATOM 379 CE1 HIS A 26 -3.336 2.813 4.935 1.00 0.00 C ATOM 380 NE2 HIS A 26 -3.121 3.117 3.667 1.00 0.00 N ATOM 0 H HIS A 26 -7.992 -0.095 2.311 1.00 0.00 H new ATOM 0 HA HIS A 26 -7.443 1.341 4.803 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -5.773 -0.253 4.170 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -5.790 0.266 2.497 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -4.627 1.480 5.939 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -4.075 2.285 1.873 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.810 3.261 5.765 1.00 0.00 H new ATOM 388 N ARG A 27 -7.611 2.710 1.834 1.00 0.00 N ATOM 389 CA ARG A 27 -7.559 3.968 1.109 1.00 0.00 C ATOM 390 C ARG A 27 -8.893 4.706 1.160 1.00 0.00 C ATOM 391 O ARG A 27 -9.010 5.806 0.625 1.00 0.00 O ATOM 392 CB ARG A 27 -7.133 3.736 -0.344 1.00 0.00 C ATOM 393 CG ARG A 27 -5.770 3.076 -0.480 1.00 0.00 C ATOM 394 CD ARG A 27 -4.884 3.775 -1.504 1.00 0.00 C ATOM 395 NE ARG A 27 -5.116 5.220 -1.569 1.00 0.00 N ATOM 396 CZ ARG A 27 -5.002 5.939 -2.689 1.00 0.00 C ATOM 397 NH1 ARG A 27 -4.796 5.332 -3.851 1.00 0.00 N ATOM 398 NH2 ARG A 27 -5.099 7.261 -2.642 1.00 0.00 N ATOM 0 H ARG A 27 -7.902 1.908 1.274 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.815 4.596 1.599 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.880 3.114 -0.838 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.118 4.692 -0.867 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.271 3.077 0.489 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.902 2.033 -0.769 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.838 3.591 -1.258 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.061 3.339 -2.487 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.379 5.704 -0.711 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.725 4.315 -3.890 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.709 5.882 -4.705 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.261 7.729 -1.750 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.012 7.809 -3.498 1.00 0.00 H new ATOM 412 N LYS A 28 -9.879 4.139 1.848 1.00 0.00 N ATOM 413 CA LYS A 28 -11.172 4.798 1.975 1.00 0.00 C ATOM 414 C LYS A 28 -11.062 6.012 2.894 1.00 0.00 C ATOM 415 O LYS A 28 -11.699 7.039 2.657 1.00 0.00 O ATOM 416 CB LYS A 28 -12.257 3.831 2.470 1.00 0.00 C ATOM 417 CG LYS A 28 -11.975 3.199 3.823 1.00 0.00 C ATOM 418 CD LYS A 28 -13.082 2.236 4.223 1.00 0.00 C ATOM 419 CE LYS A 28 -12.746 1.485 5.501 1.00 0.00 C ATOM 420 NZ LYS A 28 -13.014 2.302 6.712 1.00 0.00 N ATOM 0 H LYS A 28 -9.809 3.237 2.320 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.472 5.138 0.984 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.205 4.367 2.525 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.382 3.038 1.733 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.023 2.669 3.788 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.878 3.979 4.578 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.012 2.788 4.360 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.251 1.523 3.417 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.331 0.566 5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.696 1.194 5.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.772 1.753 7.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.437 3.167 6.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.021 2.559 6.742 1.00 0.00 H new ATOM 434 N ARG A 29 -10.151 5.943 3.860 1.00 0.00 N ATOM 435 CA ARG A 29 -9.871 7.078 4.723 1.00 0.00 C ATOM 436 C ARG A 29 -9.153 8.173 3.937 1.00 0.00 C ATOM 437 O ARG A 29 -9.264 9.358 4.243 1.00 0.00 O ATOM 438 CB ARG A 29 -9.021 6.643 5.920 1.00 0.00 C ATOM 439 CG ARG A 29 -7.633 6.151 5.536 1.00 0.00 C ATOM 440 CD ARG A 29 -6.828 5.721 6.750 1.00 0.00 C ATOM 441 NE ARG A 29 -7.295 4.446 7.293 1.00 0.00 N ATOM 442 CZ ARG A 29 -7.262 4.135 8.586 1.00 0.00 C ATOM 443 NH1 ARG A 29 -6.795 5.009 9.470 1.00 0.00 N ATOM 444 NH2 ARG A 29 -7.705 2.954 8.993 1.00 0.00 N ATOM 0 H ARG A 29 -9.596 5.112 4.062 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.816 7.473 5.094 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -8.922 7.482 6.609 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.543 5.850 6.456 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.723 5.313 4.845 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.100 6.943 5.009 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.777 5.635 6.476 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.895 6.489 7.520 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.668 3.755 6.642 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.461 5.921 9.158 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.771 4.769 10.461 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.070 2.285 8.315 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.680 2.714 9.984 1.00 0.00 H new ATOM 458 N HIS A 30 -8.469 7.761 2.878 1.00 0.00 N ATOM 459 CA HIS A 30 -7.749 8.685 2.009 1.00 0.00 C ATOM 460 C HIS A 30 -8.709 9.381 1.059 1.00 0.00 C ATOM 461 O HIS A 30 -8.398 10.421 0.483 1.00 0.00 O ATOM 462 CB HIS A 30 -6.673 7.939 1.225 1.00 0.00 C ATOM 463 CG HIS A 30 -5.656 7.271 2.099 1.00 0.00 C ATOM 464 ND1 HIS A 30 -5.341 7.695 3.366 1.00 0.00 N ATOM 465 CD2 HIS A 30 -4.881 6.184 1.866 1.00 0.00 C ATOM 466 CE1 HIS A 30 -4.406 6.874 3.854 1.00 0.00 C ATOM 467 NE2 HIS A 30 -4.087 5.936 2.983 1.00 0.00 N ATOM 0 H HIS A 30 -8.397 6.783 2.597 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.269 9.443 2.629 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.148 7.188 0.594 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -6.167 8.639 0.561 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -5.749 8.495 3.850 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -4.879 5.601 0.957 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -3.967 6.967 4.837 1.00 0.00 H new ATOM 475 N MET A 31 -9.914 8.847 0.986 1.00 0.00 N ATOM 476 CA MET A 31 -10.979 9.454 0.210 1.00 0.00 C ATOM 477 C MET A 31 -11.762 10.414 1.094 1.00 0.00 C ATOM 478 O MET A 31 -12.740 11.023 0.663 1.00 0.00 O ATOM 479 CB MET A 31 -11.909 8.379 -0.345 1.00 0.00 C ATOM 480 CG MET A 31 -11.287 7.552 -1.458 1.00 0.00 C ATOM 481 SD MET A 31 -12.355 6.211 -2.017 1.00 0.00 S ATOM 482 CE MET A 31 -11.926 6.141 -3.756 1.00 0.00 C ATOM 0 H MET A 31 -10.181 7.985 1.460 1.00 0.00 H new ATOM 0 HA MET A 31 -10.545 10.002 -0.627 1.00 0.00 H new ATOM 0 HB2 MET A 31 -12.208 7.715 0.466 1.00 0.00 H new ATOM 0 HB3 MET A 31 -12.816 8.853 -0.720 1.00 0.00 H new ATOM 0 HG2 MET A 31 -11.057 8.202 -2.302 1.00 0.00 H new ATOM 0 HG3 MET A 31 -10.342 7.136 -1.110 1.00 0.00 H new ATOM 0 HE1 MET A 31 -12.506 5.356 -4.242 1.00 0.00 H new ATOM 0 HE2 MET A 31 -12.148 7.100 -4.224 1.00 0.00 H new ATOM 0 HE3 MET A 31 -10.863 5.924 -3.860 1.00 0.00 H new ATOM 492 N LEU A 32 -11.319 10.510 2.347 1.00 0.00 N ATOM 493 CA LEU A 32 -11.939 11.372 3.349 1.00 0.00 C ATOM 494 C LEU A 32 -13.397 10.988 3.575 1.00 0.00 C ATOM 495 O LEU A 32 -14.266 11.850 3.709 1.00 0.00 O ATOM 496 CB LEU A 32 -11.827 12.845 2.943 1.00 0.00 C ATOM 497 CG LEU A 32 -10.402 13.337 2.680 1.00 0.00 C ATOM 498 CD1 LEU A 32 -10.415 14.544 1.755 1.00 0.00 C ATOM 499 CD2 LEU A 32 -9.703 13.673 3.990 1.00 0.00 C ATOM 0 H LEU A 32 -10.515 9.988 2.696 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.403 11.233 4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.422 13.005 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.267 13.458 3.730 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.847 12.537 2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.393 14.879 1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.875 14.270 0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.987 15.349 2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.691 14.021 3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.257 14.456 4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.660 12.783 4.618 1.00 0.00 H new ATOM 511 N VAL A 33 -13.655 9.691 3.633 1.00 0.00 N ATOM 512 CA VAL A 33 -14.998 9.194 3.869 1.00 0.00 C ATOM 513 C VAL A 33 -15.168 8.812 5.336 1.00 0.00 C ATOM 514 O VAL A 33 -14.140 8.581 6.013 1.00 0.00 O ATOM 515 CB VAL A 33 -15.319 7.985 2.954 1.00 0.00 C ATOM 516 CG1 VAL A 33 -14.919 6.664 3.599 1.00 0.00 C ATOM 517 CG2 VAL A 33 -16.794 7.977 2.589 1.00 0.00 C ATOM 518 OXT VAL A 33 -16.320 8.759 5.813 1.00 0.00 O ATOM 0 H VAL A 33 -12.949 8.963 3.519 1.00 0.00 H new ATOM 0 HA VAL A 33 -15.701 9.991 3.627 1.00 0.00 H new ATOM 0 HB VAL A 33 -14.729 8.094 2.044 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -15.161 5.842 2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.847 6.666 3.799 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -15.462 6.537 4.535 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -17.005 7.122 1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -17.393 7.905 3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -17.043 8.898 2.062 1.00 0.00 H new TER 528 VAL A 33 HETATM 529 ZN ZN A 34 -2.444 4.866 3.084 1.00 0.00 ZN