USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 269 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 Single : A 7 LYS NZ :NH3+ 145:sc= 0.813 (180deg=0.187) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -1.03 K(o=-1,f=-0.022) USER MOD Single : A 15 HIS : no HD1:sc= -0.382 K(o=-0.38,f=-1.1) USER MOD Single : A 26 LYS NZ :NH3+ 165:sc= -0.11 (180deg=-0.424) USER MOD Single : A 30 SER OG : rot 28:sc= 0.0544 USER MOD Single : A 37 LYS NZ :NH3+ 169:sc=-0.00341 (180deg=-0.164) USER MOD ----------------------------------------------------------------- ATOM 39 N CYS A 4 -3.396 -4.684 -4.944 1.00 0.00 N ATOM 40 CA CYS A 4 -4.548 -5.546 -4.708 1.00 0.00 C ATOM 41 C CYS A 4 -5.687 -4.764 -4.059 1.00 0.00 C ATOM 42 O CYS A 4 -5.465 -3.725 -3.438 1.00 0.00 O ATOM 43 CB CYS A 4 -4.155 -6.727 -3.819 1.00 0.00 C ATOM 44 SG CYS A 4 -3.698 -6.259 -2.119 1.00 0.00 S ATOM 0 HA CYS A 4 -4.891 -5.924 -5.671 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -4.987 -7.431 -3.780 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -3.316 -7.250 -4.278 1.00 0.00 H new ATOM 49 N ILE A 5 -6.906 -5.272 -4.208 1.00 0.00 N ATOM 50 CA ILE A 5 -8.079 -4.623 -3.636 1.00 0.00 C ATOM 51 C ILE A 5 -8.282 -5.036 -2.183 1.00 0.00 C ATOM 52 O ILE A 5 -8.349 -6.220 -1.851 1.00 0.00 O ATOM 53 CB ILE A 5 -9.353 -4.956 -4.435 1.00 0.00 C ATOM 54 CG1 ILE A 5 -9.139 -4.665 -5.922 1.00 0.00 C ATOM 55 CG2 ILE A 5 -10.536 -4.165 -3.900 1.00 0.00 C ATOM 56 CD1 ILE A 5 -10.392 -4.821 -6.755 1.00 0.00 C ATOM 0 H ILE A 5 -7.107 -6.131 -4.720 1.00 0.00 H new ATOM 0 HA ILE A 5 -7.900 -3.549 -3.685 1.00 0.00 H new ATOM 0 HB ILE A 5 -9.569 -6.018 -4.319 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -8.762 -3.648 -6.034 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.370 -5.334 -6.308 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.429 -4.412 -4.475 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.698 -4.417 -2.852 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -10.330 -3.098 -3.989 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -10.166 -4.599 -7.798 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.758 -5.844 -6.673 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.156 -4.132 -6.395 1.00 0.00 H new ATOM 68 N PRO A 6 -8.384 -4.038 -1.292 1.00 0.00 N ATOM 69 CA PRO A 6 -8.583 -4.273 0.141 1.00 0.00 C ATOM 70 C PRO A 6 -9.972 -4.822 0.451 1.00 0.00 C ATOM 71 O PRO A 6 -10.722 -5.188 -0.454 1.00 0.00 O ATOM 72 CB PRO A 6 -8.409 -2.882 0.756 1.00 0.00 C ATOM 73 CG PRO A 6 -8.753 -1.936 -0.343 1.00 0.00 C ATOM 74 CD PRO A 6 -8.313 -2.604 -1.617 1.00 0.00 C ATOM 0 HA PRO A 6 -7.889 -5.017 0.532 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.064 -2.745 1.616 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.388 -2.729 1.105 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.823 -1.730 -0.360 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.246 -0.980 -0.208 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -8.966 -2.348 -2.451 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.303 -2.305 -1.899 1.00 0.00 H new ATOM 82 N LYS A 7 -10.308 -4.877 1.735 1.00 0.00 N ATOM 83 CA LYS A 7 -11.607 -5.380 2.165 1.00 0.00 C ATOM 84 C LYS A 7 -12.698 -4.339 1.932 1.00 0.00 C ATOM 85 O LYS A 7 -12.651 -3.242 2.488 1.00 0.00 O ATOM 86 CB LYS A 7 -11.563 -5.765 3.645 1.00 0.00 C ATOM 87 CG LYS A 7 -12.705 -6.672 4.072 1.00 0.00 C ATOM 88 CD LYS A 7 -12.670 -6.947 5.566 1.00 0.00 C ATOM 89 CE LYS A 7 -12.836 -5.669 6.373 1.00 0.00 C ATOM 90 NZ LYS A 7 -13.241 -5.948 7.778 1.00 0.00 N ATOM 0 H LYS A 7 -9.698 -4.579 2.497 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.841 -6.264 1.572 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.617 -6.264 3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.586 -4.858 4.249 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.656 -6.210 3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.646 -7.614 3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.463 -7.648 5.826 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.725 -7.423 5.827 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.899 -5.113 6.369 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.585 -5.035 5.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.801 -5.250 8.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.276 -5.886 7.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.929 -6.903 8.046 1.00 0.00 H new ATOM 104 N TRP A 8 -13.679 -4.692 1.109 1.00 0.00 N ATOM 105 CA TRP A 8 -14.782 -3.788 0.804 1.00 0.00 C ATOM 106 C TRP A 8 -14.273 -2.506 0.154 1.00 0.00 C ATOM 107 O TRP A 8 -14.263 -1.444 0.776 1.00 0.00 O ATOM 108 CB TRP A 8 -15.561 -3.453 2.077 1.00 0.00 C ATOM 109 CG TRP A 8 -15.918 -4.661 2.890 1.00 0.00 C ATOM 110 CD1 TRP A 8 -16.227 -5.905 2.417 1.00 0.00 C ATOM 111 CD2 TRP A 8 -16.005 -4.739 4.316 1.00 0.00 C ATOM 112 NE1 TRP A 8 -16.501 -6.751 3.464 1.00 0.00 N ATOM 113 CE2 TRP A 8 -16.371 -6.061 4.640 1.00 0.00 C ATOM 114 CE3 TRP A 8 -15.808 -3.822 5.352 1.00 0.00 C ATOM 115 CZ2 TRP A 8 -16.544 -6.484 5.955 1.00 0.00 C ATOM 116 CZ3 TRP A 8 -15.981 -4.244 6.657 1.00 0.00 C ATOM 117 CH2 TRP A 8 -16.344 -5.566 6.949 1.00 0.00 C ATOM 0 H TRP A 8 -13.733 -5.597 0.641 1.00 0.00 H new ATOM 0 HA TRP A 8 -15.446 -4.291 0.101 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -14.968 -2.774 2.689 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -16.474 -2.923 1.807 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -16.252 -6.182 1.374 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -16.759 -7.734 3.379 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -15.526 -2.802 5.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -16.826 -7.501 6.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -15.834 -3.543 7.465 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -16.468 -5.866 7.979 1.00 0.00 H new ATOM 128 N LYS A 9 -13.849 -2.612 -1.101 1.00 0.00 N ATOM 129 CA LYS A 9 -13.339 -1.462 -1.837 1.00 0.00 C ATOM 130 C LYS A 9 -14.080 -1.289 -3.159 1.00 0.00 C ATOM 131 O LYS A 9 -14.062 -0.214 -3.756 1.00 0.00 O ATOM 132 CB LYS A 9 -11.839 -1.621 -2.098 1.00 0.00 C ATOM 133 CG LYS A 9 -11.075 -0.308 -2.072 1.00 0.00 C ATOM 134 CD LYS A 9 -11.192 0.379 -0.722 1.00 0.00 C ATOM 135 CE LYS A 9 -11.802 1.766 -0.854 1.00 0.00 C ATOM 136 NZ LYS A 9 -12.547 2.163 0.373 1.00 0.00 N ATOM 0 H LYS A 9 -13.849 -3.484 -1.630 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.504 -0.572 -1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.418 -2.292 -1.349 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.696 -2.096 -3.069 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.025 -0.493 -2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.457 0.352 -2.851 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.805 -0.228 -0.056 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.205 0.456 -0.265 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.014 2.492 -1.051 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.476 1.787 -1.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.948 3.114 0.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.316 1.484 0.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.899 2.168 1.186 1.00 0.00 H new ATOM 150 N GLY A 10 -14.733 -2.356 -3.610 1.00 0.00 N ATOM 151 CA GLY A 10 -15.473 -2.301 -4.857 1.00 0.00 C ATOM 152 C GLY A 10 -14.815 -3.110 -5.957 1.00 0.00 C ATOM 153 O GLY A 10 -13.691 -2.817 -6.366 1.00 0.00 O ATOM 0 H GLY A 10 -14.763 -3.258 -3.134 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.485 -2.672 -4.692 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -15.563 -1.263 -5.177 1.00 0.00 H new ATOM 157 N CYS A 11 -15.516 -4.132 -6.438 1.00 0.00 N ATOM 158 CA CYS A 11 -14.993 -4.988 -7.496 1.00 0.00 C ATOM 159 C CYS A 11 -15.995 -5.112 -8.640 1.00 0.00 C ATOM 160 O CYS A 11 -16.246 -6.207 -9.143 1.00 0.00 O ATOM 161 CB CYS A 11 -14.660 -6.374 -6.941 1.00 0.00 C ATOM 162 SG CYS A 11 -16.087 -7.250 -6.223 1.00 0.00 S ATOM 0 H CYS A 11 -16.448 -4.387 -6.111 1.00 0.00 H new ATOM 0 HA CYS A 11 -14.082 -4.531 -7.883 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -14.239 -6.983 -7.741 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -13.888 -6.272 -6.178 1.00 0.00 H new ATOM 167 N VAL A 12 -16.565 -3.982 -9.045 1.00 0.00 N ATOM 168 CA VAL A 12 -17.539 -3.964 -10.130 1.00 0.00 C ATOM 169 C VAL A 12 -16.913 -4.432 -11.439 1.00 0.00 C ATOM 170 O VAL A 12 -17.609 -4.899 -12.340 1.00 0.00 O ATOM 171 CB VAL A 12 -18.129 -2.555 -10.332 1.00 0.00 C ATOM 172 CG1 VAL A 12 -18.972 -2.152 -9.132 1.00 0.00 C ATOM 173 CG2 VAL A 12 -17.019 -1.544 -10.577 1.00 0.00 C ATOM 0 H VAL A 12 -16.369 -3.067 -8.638 1.00 0.00 H new ATOM 0 HA VAL A 12 -18.339 -4.648 -9.848 1.00 0.00 H new ATOM 0 HB VAL A 12 -18.775 -2.572 -11.210 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -19.380 -1.154 -9.293 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -19.789 -2.862 -9.006 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -18.352 -2.150 -8.236 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -17.453 -0.554 -10.718 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.347 -1.527 -9.719 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -16.461 -1.826 -11.470 1.00 0.00 H new ATOM 183 N ASN A 13 -15.593 -4.305 -11.536 1.00 0.00 N ATOM 184 CA ASN A 13 -14.872 -4.716 -12.735 1.00 0.00 C ATOM 185 C ASN A 13 -13.509 -5.300 -12.377 1.00 0.00 C ATOM 186 O ASN A 13 -12.613 -5.372 -13.218 1.00 0.00 O ATOM 187 CB ASN A 13 -14.697 -3.527 -13.682 1.00 0.00 C ATOM 188 CG ASN A 13 -15.824 -3.421 -14.692 1.00 0.00 C ATOM 189 OD1 ASN A 13 -15.643 -3.714 -15.874 1.00 0.00 O ATOM 190 ND2 ASN A 13 -16.995 -2.999 -14.229 1.00 0.00 N ATOM 0 H ASN A 13 -15.002 -3.921 -10.799 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.458 -5.487 -13.235 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -14.647 -2.607 -13.100 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -13.748 -3.623 -14.209 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -17.790 -2.907 -14.861 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -17.099 -2.767 -13.241 1.00 0.00 H new ATOM 197 N ARG A 14 -13.361 -5.716 -11.124 1.00 0.00 N ATOM 198 CA ARG A 14 -12.108 -6.294 -10.654 1.00 0.00 C ATOM 199 C ARG A 14 -12.368 -7.438 -9.678 1.00 0.00 C ATOM 200 O ARG A 14 -12.131 -7.310 -8.477 1.00 0.00 O ATOM 201 CB ARG A 14 -11.248 -5.222 -9.981 1.00 0.00 C ATOM 202 CG ARG A 14 -11.172 -3.922 -10.765 1.00 0.00 C ATOM 203 CD ARG A 14 -9.850 -3.207 -10.532 1.00 0.00 C ATOM 204 NE ARG A 14 -9.443 -2.418 -11.691 1.00 0.00 N ATOM 205 CZ ARG A 14 -8.905 -2.944 -12.786 1.00 0.00 C ATOM 206 NH1 ARG A 14 -8.712 -4.253 -12.871 1.00 0.00 N ATOM 207 NH2 ARG A 14 -8.560 -2.160 -13.800 1.00 0.00 N ATOM 0 H ARG A 14 -14.093 -5.664 -10.416 1.00 0.00 H new ATOM 0 HA ARG A 14 -11.574 -6.690 -11.518 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -11.650 -5.015 -8.989 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -10.240 -5.612 -9.841 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.292 -4.130 -11.828 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -11.996 -3.271 -10.472 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.939 -2.555 -9.663 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.077 -3.940 -10.303 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.579 -1.408 -11.658 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.977 -4.859 -12.094 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.299 -4.654 -13.713 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.708 -1.153 -13.739 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.147 -2.565 -14.640 1.00 0.00 H new ATOM 221 N HIS A 15 -12.858 -8.556 -10.203 1.00 0.00 N ATOM 222 CA HIS A 15 -13.151 -9.724 -9.379 1.00 0.00 C ATOM 223 C HIS A 15 -11.865 -10.429 -8.960 1.00 0.00 C ATOM 224 O HIS A 15 -11.652 -10.704 -7.780 1.00 0.00 O ATOM 225 CB HIS A 15 -14.056 -10.695 -10.137 1.00 0.00 C ATOM 226 CG HIS A 15 -15.428 -10.154 -10.402 1.00 0.00 C ATOM 227 ND1 HIS A 15 -15.655 -8.879 -10.875 1.00 0.00 N ATOM 228 CD2 HIS A 15 -16.647 -10.724 -10.258 1.00 0.00 C ATOM 229 CE1 HIS A 15 -16.955 -8.687 -11.009 1.00 0.00 C ATOM 230 NE2 HIS A 15 -17.580 -9.792 -10.642 1.00 0.00 N ATOM 0 H HIS A 15 -13.061 -8.678 -11.195 1.00 0.00 H new ATOM 0 HA HIS A 15 -13.667 -9.385 -8.481 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -13.586 -10.951 -11.087 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -14.143 -11.619 -9.565 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -16.849 -11.725 -9.907 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -17.427 -7.781 -11.359 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -18.591 -9.930 -10.644 1.00 0.00 H new ATOM 238 N GLY A 16 -11.011 -10.721 -9.936 1.00 0.00 N ATOM 239 CA GLY A 16 -9.757 -11.394 -9.648 1.00 0.00 C ATOM 240 C GLY A 16 -8.624 -10.421 -9.387 1.00 0.00 C ATOM 241 O GLY A 16 -7.556 -10.526 -9.989 1.00 0.00 O ATOM 0 H GLY A 16 -11.165 -10.504 -10.921 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.886 -12.039 -8.779 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.493 -12.038 -10.487 1.00 0.00 H new ATOM 245 N ASP A 17 -8.858 -9.471 -8.488 1.00 0.00 N ATOM 246 CA ASP A 17 -7.849 -8.474 -8.149 1.00 0.00 C ATOM 247 C ASP A 17 -7.840 -8.198 -6.649 1.00 0.00 C ATOM 248 O ASP A 17 -7.182 -7.268 -6.182 1.00 0.00 O ATOM 249 CB ASP A 17 -8.104 -7.176 -8.918 1.00 0.00 C ATOM 250 CG ASP A 17 -7.677 -7.269 -10.369 1.00 0.00 C ATOM 251 OD1 ASP A 17 -8.153 -8.187 -11.070 1.00 0.00 O ATOM 252 OD2 ASP A 17 -6.868 -6.424 -10.804 1.00 0.00 O ATOM 0 H ASP A 17 -9.737 -9.370 -7.981 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.874 -8.869 -8.433 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.165 -6.931 -8.870 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.566 -6.360 -8.436 1.00 0.00 H new ATOM 257 N CYS A 18 -8.575 -9.012 -5.899 1.00 0.00 N ATOM 258 CA CYS A 18 -8.654 -8.856 -4.451 1.00 0.00 C ATOM 259 C CYS A 18 -7.408 -9.419 -3.775 1.00 0.00 C ATOM 260 O CYS A 18 -6.868 -10.442 -4.196 1.00 0.00 O ATOM 261 CB CYS A 18 -9.903 -9.555 -3.909 1.00 0.00 C ATOM 262 SG CYS A 18 -11.422 -9.199 -4.850 1.00 0.00 S ATOM 0 H CYS A 18 -9.125 -9.787 -6.270 1.00 0.00 H new ATOM 0 HA CYS A 18 -8.717 -7.791 -4.228 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.732 -10.632 -3.909 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -10.052 -9.256 -2.872 1.00 0.00 H new ATOM 267 N CYS A 19 -6.957 -8.744 -2.723 1.00 0.00 N ATOM 268 CA CYS A 19 -5.775 -9.176 -1.986 1.00 0.00 C ATOM 269 C CYS A 19 -5.888 -10.645 -1.588 1.00 0.00 C ATOM 270 O CYS A 19 -6.958 -11.244 -1.688 1.00 0.00 O ATOM 271 CB CYS A 19 -5.582 -8.311 -0.739 1.00 0.00 C ATOM 272 SG CYS A 19 -5.379 -6.535 -1.089 1.00 0.00 S ATOM 0 H CYS A 19 -7.392 -7.895 -2.361 1.00 0.00 H new ATOM 0 HA CYS A 19 -4.909 -9.061 -2.638 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -6.441 -8.445 -0.081 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -4.706 -8.666 -0.196 1.00 0.00 H new ATOM 277 N GLU A 20 -4.776 -11.217 -1.137 1.00 0.00 N ATOM 278 CA GLU A 20 -4.751 -12.615 -0.725 1.00 0.00 C ATOM 279 C GLU A 20 -5.737 -12.865 0.413 1.00 0.00 C ATOM 280 O GLU A 20 -5.710 -12.179 1.434 1.00 0.00 O ATOM 281 CB GLU A 20 -3.340 -13.016 -0.288 1.00 0.00 C ATOM 282 CG GLU A 20 -3.268 -14.394 0.348 1.00 0.00 C ATOM 283 CD GLU A 20 -2.838 -14.343 1.802 1.00 0.00 C ATOM 284 OE1 GLU A 20 -1.897 -13.584 2.115 1.00 0.00 O ATOM 285 OE2 GLU A 20 -3.442 -15.062 2.625 1.00 0.00 O ATOM 0 H GLU A 20 -3.882 -10.734 -1.048 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.046 -13.224 -1.579 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.679 -12.990 -1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.965 -12.278 0.421 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.244 -14.874 0.278 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.568 -15.013 -0.213 1.00 0.00 H new ATOM 292 N GLY A 21 -6.607 -13.853 0.228 1.00 0.00 N ATOM 293 CA GLY A 21 -7.590 -14.176 1.246 1.00 0.00 C ATOM 294 C GLY A 21 -8.900 -13.440 1.041 1.00 0.00 C ATOM 295 O GLY A 21 -9.797 -13.509 1.882 1.00 0.00 O ATOM 0 H GLY A 21 -6.649 -14.435 -0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.775 -15.250 1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.187 -13.928 2.228 1.00 0.00 H new ATOM 299 N LEU A 22 -9.011 -12.734 -0.079 1.00 0.00 N ATOM 300 CA LEU A 22 -10.220 -11.980 -0.391 1.00 0.00 C ATOM 301 C LEU A 22 -10.931 -12.570 -1.605 1.00 0.00 C ATOM 302 O LEU A 22 -10.337 -13.320 -2.380 1.00 0.00 O ATOM 303 CB LEU A 22 -9.878 -10.512 -0.650 1.00 0.00 C ATOM 304 CG LEU A 22 -9.225 -9.760 0.510 1.00 0.00 C ATOM 305 CD1 LEU A 22 -9.072 -8.286 0.172 1.00 0.00 C ATOM 306 CD2 LEU A 22 -10.040 -9.935 1.784 1.00 0.00 C ATOM 0 H LEU A 22 -8.279 -12.668 -0.786 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.890 -12.044 0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.211 -10.462 -1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.794 -9.990 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.232 -10.178 0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.605 -7.767 1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.447 -8.179 -0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.054 -7.853 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.561 -9.393 2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.045 -9.543 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.098 -10.994 2.036 1.00 0.00 H new ATOM 318 N GLU A 23 -12.205 -12.225 -1.765 1.00 0.00 N ATOM 319 CA GLU A 23 -12.995 -12.720 -2.886 1.00 0.00 C ATOM 320 C GLU A 23 -14.117 -11.746 -3.233 1.00 0.00 C ATOM 321 O GLU A 23 -14.845 -11.282 -2.355 1.00 0.00 O ATOM 322 CB GLU A 23 -13.581 -14.095 -2.558 1.00 0.00 C ATOM 323 CG GLU A 23 -14.221 -14.171 -1.182 1.00 0.00 C ATOM 324 CD GLU A 23 -14.821 -15.533 -0.892 1.00 0.00 C ATOM 325 OE1 GLU A 23 -14.396 -16.518 -1.532 1.00 0.00 O ATOM 326 OE2 GLU A 23 -15.717 -15.614 -0.026 1.00 0.00 O ATOM 0 H GLU A 23 -12.712 -11.605 -1.133 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.336 -12.811 -3.750 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.326 -14.352 -3.311 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.791 -14.843 -2.624 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.473 -13.939 -0.424 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.999 -13.412 -1.105 1.00 0.00 H new ATOM 333 N CYS A 24 -14.251 -11.441 -4.519 1.00 0.00 N ATOM 334 CA CYS A 24 -15.283 -10.522 -4.984 1.00 0.00 C ATOM 335 C CYS A 24 -16.672 -11.125 -4.799 1.00 0.00 C ATOM 336 O CYS A 24 -16.917 -12.272 -5.174 1.00 0.00 O ATOM 337 CB CYS A 24 -15.059 -10.172 -6.456 1.00 0.00 C ATOM 338 SG CYS A 24 -16.286 -9.012 -7.141 1.00 0.00 S ATOM 0 H CYS A 24 -13.657 -11.817 -5.258 1.00 0.00 H new ATOM 0 HA CYS A 24 -15.219 -9.612 -4.388 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -14.065 -9.740 -6.568 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -15.076 -11.090 -7.043 1.00 0.00 H new ATOM 343 N TRP A 25 -17.577 -10.345 -4.219 1.00 0.00 N ATOM 344 CA TRP A 25 -18.942 -10.803 -3.985 1.00 0.00 C ATOM 345 C TRP A 25 -19.954 -9.779 -4.489 1.00 0.00 C ATOM 346 O TRP A 25 -19.799 -8.578 -4.268 1.00 0.00 O ATOM 347 CB TRP A 25 -19.165 -11.067 -2.495 1.00 0.00 C ATOM 348 CG TRP A 25 -20.571 -11.469 -2.166 1.00 0.00 C ATOM 349 CD1 TRP A 25 -21.571 -10.657 -1.715 1.00 0.00 C ATOM 350 CD2 TRP A 25 -21.131 -12.783 -2.262 1.00 0.00 C ATOM 351 NE1 TRP A 25 -22.720 -11.387 -1.524 1.00 0.00 N ATOM 352 CE2 TRP A 25 -22.476 -12.694 -1.853 1.00 0.00 C ATOM 353 CE3 TRP A 25 -20.627 -14.026 -2.655 1.00 0.00 C ATOM 354 CZ2 TRP A 25 -23.320 -13.801 -1.826 1.00 0.00 C ATOM 355 CZ3 TRP A 25 -21.467 -15.124 -2.627 1.00 0.00 C ATOM 356 CH2 TRP A 25 -22.801 -15.005 -2.216 1.00 0.00 C ATOM 0 H TRP A 25 -17.391 -9.393 -3.902 1.00 0.00 H new ATOM 0 HA TRP A 25 -19.087 -11.732 -4.537 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -18.484 -11.852 -2.167 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -18.911 -10.169 -1.932 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -21.474 -9.597 -1.535 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -23.610 -11.016 -1.191 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -19.600 -14.127 -2.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -24.348 -13.712 -1.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -21.088 -16.090 -2.927 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -23.432 -15.881 -2.207 1.00 0.00 H new ATOM 367 N LYS A 26 -20.990 -10.261 -5.167 1.00 0.00 N ATOM 368 CA LYS A 26 -22.028 -9.388 -5.701 1.00 0.00 C ATOM 369 C LYS A 26 -23.162 -9.213 -4.696 1.00 0.00 C ATOM 370 O LYS A 26 -23.613 -10.179 -4.080 1.00 0.00 O ATOM 371 CB LYS A 26 -22.578 -9.958 -7.011 1.00 0.00 C ATOM 372 CG LYS A 26 -23.826 -9.248 -7.506 1.00 0.00 C ATOM 373 CD LYS A 26 -23.966 -9.355 -9.016 1.00 0.00 C ATOM 374 CE LYS A 26 -24.186 -10.794 -9.455 1.00 0.00 C ATOM 375 NZ LYS A 26 -25.352 -11.412 -8.764 1.00 0.00 N ATOM 0 H LYS A 26 -21.133 -11.252 -5.360 1.00 0.00 H new ATOM 0 HA LYS A 26 -21.583 -8.412 -5.894 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -21.806 -9.895 -7.778 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -22.803 -11.015 -6.871 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -24.705 -9.679 -7.027 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -23.787 -8.198 -7.217 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -24.802 -8.740 -9.349 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -23.069 -8.961 -9.494 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -24.344 -10.825 -10.533 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -23.289 -11.378 -9.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -25.627 -12.284 -9.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -25.094 -11.638 -7.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -26.150 -10.746 -8.767 1.00 0.00 H new ATOM 389 N ARG A 27 -23.618 -7.975 -4.535 1.00 0.00 N ATOM 390 CA ARG A 27 -24.700 -7.674 -3.605 1.00 0.00 C ATOM 391 C ARG A 27 -25.933 -7.172 -4.349 1.00 0.00 C ATOM 392 O ARG A 27 -25.860 -6.820 -5.527 1.00 0.00 O ATOM 393 CB ARG A 27 -24.246 -6.629 -2.584 1.00 0.00 C ATOM 394 CG ARG A 27 -23.633 -7.229 -1.329 1.00 0.00 C ATOM 395 CD ARG A 27 -24.693 -7.533 -0.282 1.00 0.00 C ATOM 396 NE ARG A 27 -25.131 -6.329 0.419 1.00 0.00 N ATOM 397 CZ ARG A 27 -26.093 -6.322 1.336 1.00 0.00 C ATOM 398 NH1 ARG A 27 -26.713 -7.448 1.660 1.00 0.00 N ATOM 399 NH2 ARG A 27 -26.435 -5.186 1.931 1.00 0.00 N ATOM 0 H ARG A 27 -23.255 -7.164 -5.036 1.00 0.00 H new ATOM 0 HA ARG A 27 -24.963 -8.594 -3.082 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -23.518 -5.968 -3.053 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -25.100 -6.014 -2.302 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -23.100 -8.145 -1.585 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -22.899 -6.538 -0.915 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -25.550 -8.006 -0.761 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -24.296 -8.248 0.439 1.00 0.00 H new ATOM 0 HE ARG A 27 -24.674 -5.446 0.193 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -26.452 -8.323 1.205 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -27.451 -7.439 2.364 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -25.959 -4.318 1.685 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -27.173 -5.181 2.635 1.00 0.00 H new ATOM 413 N ARG A 28 -27.066 -7.141 -3.654 1.00 0.00 N ATOM 414 CA ARG A 28 -28.316 -6.684 -4.250 1.00 0.00 C ATOM 415 C ARG A 28 -28.656 -5.272 -3.782 1.00 0.00 C ATOM 416 O ARG A 28 -29.368 -4.536 -4.466 1.00 0.00 O ATOM 417 CB ARG A 28 -29.455 -7.640 -3.892 1.00 0.00 C ATOM 418 CG ARG A 28 -30.693 -7.462 -4.755 1.00 0.00 C ATOM 419 CD ARG A 28 -31.630 -8.654 -4.638 1.00 0.00 C ATOM 420 NE ARG A 28 -33.017 -8.289 -4.914 1.00 0.00 N ATOM 421 CZ ARG A 28 -33.770 -7.579 -4.081 1.00 0.00 C ATOM 422 NH1 ARG A 28 -33.273 -7.160 -2.926 1.00 0.00 N ATOM 423 NH2 ARG A 28 -35.024 -7.287 -4.403 1.00 0.00 N ATOM 0 H ARG A 28 -27.144 -7.427 -2.678 1.00 0.00 H new ATOM 0 HA ARG A 28 -28.190 -6.669 -5.333 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -29.100 -8.666 -3.988 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -29.727 -7.493 -2.847 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -31.218 -6.554 -4.457 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -30.397 -7.332 -5.796 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -31.315 -9.432 -5.333 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -31.558 -9.074 -3.635 1.00 0.00 H new ATOM 0 HE ARG A 28 -33.430 -8.596 -5.795 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -32.310 -7.382 -2.675 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -33.854 -6.615 -2.289 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -35.411 -7.608 -5.291 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -35.601 -6.742 -3.763 1.00 0.00 H new ATOM 437 N ARG A 29 -28.143 -4.901 -2.614 1.00 0.00 N ATOM 438 CA ARG A 29 -28.394 -3.579 -2.054 1.00 0.00 C ATOM 439 C ARG A 29 -27.166 -2.684 -2.201 1.00 0.00 C ATOM 440 O ARG A 29 -27.224 -1.485 -1.932 1.00 0.00 O ATOM 441 CB ARG A 29 -28.782 -3.691 -0.579 1.00 0.00 C ATOM 442 CG ARG A 29 -30.265 -3.944 -0.357 1.00 0.00 C ATOM 443 CD ARG A 29 -31.038 -2.642 -0.222 1.00 0.00 C ATOM 444 NE ARG A 29 -32.447 -2.803 -0.573 1.00 0.00 N ATOM 445 CZ ARG A 29 -33.369 -1.871 -0.359 1.00 0.00 C ATOM 446 NH1 ARG A 29 -33.032 -0.717 0.201 1.00 0.00 N ATOM 447 NH2 ARG A 29 -34.630 -2.092 -0.706 1.00 0.00 N ATOM 0 H ARG A 29 -27.551 -5.498 -2.037 1.00 0.00 H new ATOM 0 HA ARG A 29 -29.219 -3.129 -2.606 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -28.212 -4.500 -0.122 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -28.498 -2.772 -0.066 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -30.665 -4.521 -1.190 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -30.402 -4.545 0.542 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -30.959 -2.278 0.802 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -30.588 -1.885 -0.865 1.00 0.00 H new ATOM 0 HE ARG A 29 -32.739 -3.679 -1.006 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -32.063 -0.544 0.468 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -33.742 -0.003 0.364 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -34.892 -2.978 -1.138 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -35.337 -1.376 -0.541 1.00 0.00 H new ATOM 461 N SER A 30 -26.056 -3.277 -2.630 1.00 0.00 N ATOM 462 CA SER A 30 -24.814 -2.535 -2.809 1.00 0.00 C ATOM 463 C SER A 30 -24.006 -3.101 -3.973 1.00 0.00 C ATOM 464 O SER A 30 -24.202 -4.246 -4.382 1.00 0.00 O ATOM 465 CB SER A 30 -23.980 -2.578 -1.527 1.00 0.00 C ATOM 466 OG SER A 30 -24.324 -1.512 -0.659 1.00 0.00 O ATOM 0 H SER A 30 -25.992 -4.269 -2.860 1.00 0.00 H new ATOM 0 HA SER A 30 -25.068 -1.499 -3.035 1.00 0.00 H new ATOM 0 HB2 SER A 30 -24.137 -3.530 -1.019 1.00 0.00 H new ATOM 0 HB3 SER A 30 -22.921 -2.521 -1.777 1.00 0.00 H new ATOM 0 HG SER A 30 -25.258 -1.255 -0.810 1.00 0.00 H new ATOM 472 N PHE A 31 -23.097 -2.290 -4.503 1.00 0.00 N ATOM 473 CA PHE A 31 -22.259 -2.707 -5.621 1.00 0.00 C ATOM 474 C PHE A 31 -21.291 -3.808 -5.195 1.00 0.00 C ATOM 475 O PHE A 31 -20.996 -3.963 -4.010 1.00 0.00 O ATOM 476 CB PHE A 31 -21.479 -1.514 -6.176 1.00 0.00 C ATOM 477 CG PHE A 31 -20.750 -0.731 -5.121 1.00 0.00 C ATOM 478 CD1 PHE A 31 -19.531 -1.171 -4.631 1.00 0.00 C ATOM 479 CD2 PHE A 31 -21.285 0.444 -4.618 1.00 0.00 C ATOM 480 CE1 PHE A 31 -18.858 -0.453 -3.660 1.00 0.00 C ATOM 481 CE2 PHE A 31 -20.617 1.166 -3.648 1.00 0.00 C ATOM 482 CZ PHE A 31 -19.402 0.716 -3.167 1.00 0.00 C ATOM 0 H PHE A 31 -22.922 -1.340 -4.176 1.00 0.00 H new ATOM 0 HA PHE A 31 -22.910 -3.101 -6.402 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -20.760 -1.871 -6.913 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -22.168 -0.851 -6.698 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -19.101 -2.086 -5.012 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -22.235 0.799 -4.989 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -17.908 -0.806 -3.288 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -21.044 2.081 -3.266 1.00 0.00 H new ATOM 0 HZ PHE A 31 -18.879 1.278 -2.407 1.00 0.00 H new ATOM 492 N GLU A 32 -20.802 -4.568 -6.169 1.00 0.00 N ATOM 493 CA GLU A 32 -19.869 -5.655 -5.894 1.00 0.00 C ATOM 494 C GLU A 32 -18.633 -5.138 -5.164 1.00 0.00 C ATOM 495 O GLU A 32 -18.093 -4.085 -5.502 1.00 0.00 O ATOM 496 CB GLU A 32 -19.456 -6.343 -7.197 1.00 0.00 C ATOM 497 CG GLU A 32 -20.626 -6.679 -8.106 1.00 0.00 C ATOM 498 CD GLU A 32 -20.419 -7.973 -8.869 1.00 0.00 C ATOM 499 OE1 GLU A 32 -19.804 -8.902 -8.305 1.00 0.00 O ATOM 500 OE2 GLU A 32 -20.872 -8.056 -10.030 1.00 0.00 O ATOM 0 H GLU A 32 -21.036 -4.452 -7.155 1.00 0.00 H new ATOM 0 HA GLU A 32 -20.372 -6.379 -5.253 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.763 -5.697 -7.735 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -18.917 -7.260 -6.959 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -21.535 -6.755 -7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -20.777 -5.864 -8.814 1.00 0.00 H new ATOM 507 N VAL A 33 -18.190 -5.888 -4.160 1.00 0.00 N ATOM 508 CA VAL A 33 -17.017 -5.508 -3.381 1.00 0.00 C ATOM 509 C VAL A 33 -16.224 -6.735 -2.947 1.00 0.00 C ATOM 510 O VAL A 33 -16.788 -7.808 -2.729 1.00 0.00 O ATOM 511 CB VAL A 33 -17.412 -4.697 -2.132 1.00 0.00 C ATOM 512 CG1 VAL A 33 -17.913 -3.317 -2.528 1.00 0.00 C ATOM 513 CG2 VAL A 33 -18.462 -5.443 -1.323 1.00 0.00 C ATOM 0 H VAL A 33 -18.626 -6.762 -3.867 1.00 0.00 H new ATOM 0 HA VAL A 33 -16.395 -4.888 -4.027 1.00 0.00 H new ATOM 0 HB VAL A 33 -16.528 -4.570 -1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -18.187 -2.759 -1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -17.126 -2.784 -3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -18.785 -3.418 -3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -18.729 -4.856 -0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -19.349 -5.602 -1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -18.061 -6.406 -1.007 1.00 0.00 H new ATOM 523 N CYS A 34 -14.911 -6.571 -2.824 1.00 0.00 N ATOM 524 CA CYS A 34 -14.038 -7.665 -2.416 1.00 0.00 C ATOM 525 C CYS A 34 -14.247 -8.007 -0.944 1.00 0.00 C ATOM 526 O CYS A 34 -13.757 -7.308 -0.057 1.00 0.00 O ATOM 527 CB CYS A 34 -12.574 -7.296 -2.663 1.00 0.00 C ATOM 528 SG CYS A 34 -12.071 -7.375 -4.412 1.00 0.00 S ATOM 0 H CYS A 34 -14.428 -5.690 -3.001 1.00 0.00 H new ATOM 0 HA CYS A 34 -14.290 -8.541 -3.014 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -12.397 -6.287 -2.291 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -11.939 -7.966 -2.083 1.00 0.00 H new ATOM 533 N VAL A 35 -14.977 -9.088 -0.691 1.00 0.00 N ATOM 534 CA VAL A 35 -15.250 -9.525 0.673 1.00 0.00 C ATOM 535 C VAL A 35 -14.206 -10.530 1.148 1.00 0.00 C ATOM 536 O VAL A 35 -13.620 -11.273 0.360 1.00 0.00 O ATOM 537 CB VAL A 35 -16.648 -10.160 0.790 1.00 0.00 C ATOM 538 CG1 VAL A 35 -17.728 -9.136 0.474 1.00 0.00 C ATOM 539 CG2 VAL A 35 -16.763 -11.368 -0.128 1.00 0.00 C ATOM 0 H VAL A 35 -15.390 -9.678 -1.413 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.209 -8.637 1.304 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.790 -10.497 1.817 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -18.709 -9.603 0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.658 -8.305 1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -17.592 -8.766 -0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.757 -11.804 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.601 -11.057 -1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -16.013 -12.109 0.150 1.00 0.00 H new ATOM 549 N PRO A 36 -13.967 -10.556 2.467 1.00 0.00 N ATOM 550 CA PRO A 36 -12.994 -11.467 3.077 1.00 0.00 C ATOM 551 C PRO A 36 -13.452 -12.920 3.032 1.00 0.00 C ATOM 552 O PRO A 36 -14.583 -13.238 3.404 1.00 0.00 O ATOM 553 CB PRO A 36 -12.909 -10.977 4.525 1.00 0.00 C ATOM 554 CG PRO A 36 -14.217 -10.310 4.776 1.00 0.00 C ATOM 555 CD PRO A 36 -14.629 -9.699 3.465 1.00 0.00 C ATOM 0 HA PRO A 36 -12.039 -11.455 2.552 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.748 -11.806 5.215 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -12.079 -10.284 4.660 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.961 -11.027 5.123 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -14.124 -9.548 5.550 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.712 -9.702 3.343 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.302 -8.662 3.384 1.00 0.00 H new ATOM 563 N LYS A 37 -12.568 -13.801 2.576 1.00 0.00 N ATOM 564 CA LYS A 37 -12.881 -15.222 2.483 1.00 0.00 C ATOM 565 C LYS A 37 -13.107 -15.820 3.868 1.00 0.00 C ATOM 566 O LYS A 37 -12.350 -15.555 4.802 1.00 0.00 O ATOM 567 CB LYS A 37 -11.750 -15.969 1.772 1.00 0.00 C ATOM 568 CG LYS A 37 -11.550 -15.539 0.329 1.00 0.00 C ATOM 569 CD LYS A 37 -10.297 -16.157 -0.268 1.00 0.00 C ATOM 570 CE LYS A 37 -10.380 -17.675 -0.289 1.00 0.00 C ATOM 571 NZ LYS A 37 -11.487 -18.159 -1.161 1.00 0.00 N ATOM 0 H LYS A 37 -11.628 -13.555 2.265 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.799 -15.330 1.905 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.821 -15.813 2.321 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.960 -17.038 1.798 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.418 -15.831 -0.262 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.481 -14.452 0.278 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.155 -15.785 -1.283 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.426 -15.847 0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.434 -18.085 -0.642 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.529 -18.044 0.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.397 -19.186 -1.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.401 -17.948 -0.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.437 -17.681 -2.083 1.00 0.00 H new